smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C)c(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 16231960 UIKMMGDGSIXKSM-UHFFFAOYSA-N 429.506 0.458 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)cs1 728575078 LMIXUSSKKLZYPA-UHFFFAOYSA-N 441.510 0.358 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1cncc(C(=O)NNC(=O)c2scnc2C)c1 729541275 ISFBATPQJKBUAR-UHFFFAOYSA-N 445.486 0.761 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 729965471 ZSUBDYVCBBXTLE-UHFFFAOYSA-N 439.515 0.775 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2cccc(Br)c2)n1 730165361 IDAFNQHYQRAHSF-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(O)c(Br)c2)c(=O)n(C)c1=O 730569004 IVJAOHJFMJSQEO-UHFFFAOYSA-N 428.268 0.190 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732954468 LPGADQBKVJSSIS-HNNXBMFYSA-N 437.434 0.872 50 20 ICGD Cn1c(NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc2ccccc2c1=O 733264092 WRIVRLXFZNGZLR-UHFFFAOYSA-N 432.440 0.449 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 734241735 SZVMVTZAWQUKHS-UHFFFAOYSA-N 446.464 0.927 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H](C)CN2CCOCC2)c2ccccc2c1=O 739047591 BXVHFEAVSCORES-OAHLLOKOSA-N 430.509 0.890 50 20 ICGD CNC(=O)c1cccc(CCNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 741092137 XCZYPHLSUBVDCV-UHFFFAOYSA-N 434.522 0.997 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c1C 744457098 NJWUGQMEWIRCNZ-YVLHZVERSA-N 435.506 0.914 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744879668 COVJXDBHQFAIPB-UHFFFAOYSA-N 430.442 0.938 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746103532 OKZINWPAQYDSCK-NFOQIUCISA-N 425.239 0.089 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 751211124 CHJDGWXIKFUWBD-QLFBSQMISA-N 430.461 0.523 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 751212974 ZYASKXYVNRWSNV-XQQFMLRXSA-N 436.490 0.064 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 753276611 OGJZHQFCJHDZOU-UHFFFAOYSA-N 443.507 0.206 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 755253896 BDSZCTZQHAMVBR-IYVPYFHTSA-N 426.429 0.209 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccccc1CN1C(=O)CCC1=O 756221654 OVKPERMBPUWOEE-UHFFFAOYSA-N 434.416 0.778 50 20 ICGD O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCN(S(=O)(=O)CBr)CC1 758526937 CXTDZJPOGLIGLU-UHFFFAOYSA-N 431.268 0.470 50 20 ICGD CC(C)Oc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 759677977 FZUHLQIXQRCTBK-UHFFFAOYSA-N 448.501 0.965 50 20 ICGD COC(=O)C12CCC(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)(CC1)C2 760447799 HJSVMYUTJOASMX-UHFFFAOYSA-N 442.516 0.715 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 763648267 BIQIAIYZMOHAKI-UHFFFAOYSA-N 425.445 0.659 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1C 763767923 OQOAUQHMTNNLBE-UHFFFAOYSA-N 444.492 0.762 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(F)cc1F 763809205 SKWIEDQRXWQLFP-UHFFFAOYSA-N 431.355 0.960 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1 763820189 IURNYXDDSPIIFN-UHFFFAOYSA-N 433.486 0.747 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 763823226 CFACJTWZBVPCLQ-IXDOHACOSA-N 441.488 0.325 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 763892788 KTACZQNGXKLFBP-UHFFFAOYSA-N 429.405 0.282 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)S(N)(=O)=O 763939724 HDYBGTSCUQCFTN-CMPLNLGQSA-N 444.579 0.453 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764263887 KRFMTTQRUZSDOY-UHFFFAOYSA-N 444.455 0.841 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccccc2O)c2ccccc2O1 764392893 AEVTUQDQHOYRHI-HNNXBMFYSA-N 444.469 0.172 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 764397126 FYWJZUYUEYAAKH-AWEZNQCLSA-N 443.460 0.780 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 764425029 MVHDTUGIKUFEBG-CYBMUJFWSA-N 425.804 0.225 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 764427634 ARVDPVPELNCLLE-MRXNPFEDSA-N 434.836 0.815 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 764434917 SNEPCBXEGQOTNT-GOSISDBHSA-N 440.456 0.160 50 20 ICGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(SC)cc1OC 764820249 YPRIGOJWGOBZQA-UHFFFAOYSA-N 446.489 0.323 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 773724411 QGXYDZCQRDMNGY-ZVHZXABRSA-N 447.477 0.380 50 20 ICGD COC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 776845231 UADKYPVSDYIVKR-LBPRGKRZSA-N 440.526 0.791 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 777939372 LPQKTIPCKCABFA-UHFFFAOYSA-N 447.944 0.639 50 20 ICGD COC(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 778512203 MYLHSOWUVAIHAH-QGZVFWFLSA-N 428.397 0.546 50 20 ICGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 780848279 BPVMRAIEYWYYKE-UHFFFAOYSA-N 444.473 0.684 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)nc1 782145424 ITUNPKQXAZJJTE-UHFFFAOYSA-N 449.489 0.965 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1-n1nnnc1C1CC1 782830867 NDLWOPPBRDSSIU-UHFFFAOYSA-N 437.416 0.654 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783427054 PPEOCJNVAMVFJA-GOSISDBHSA-N 427.479 0.397 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)c2)CC1 783433704 ZMTUTHQICCNTAE-UHFFFAOYSA-N 435.492 0.886 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n1 785225117 DMJOPKDUZTVHQK-UHFFFAOYSA-N 425.446 0.191 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)cc1 792355888 WTYBCUVKWXKJRS-UHFFFAOYSA-N 449.423 0.767 50 20 ICGD O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)C(=O)Nc1ccc2c(c1F)CCNC2=O 793027415 XXLZFDFQPBPRCX-UHFFFAOYSA-N 442.432 0.963 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)c1 797679802 FGTGRDFLBYCVOB-UHFFFAOYSA-N 441.492 0.979 50 20 ICGD CCCCNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801140163 CMXBXUJYNPVCAN-UHFFFAOYSA-N 443.501 0.423 50 20 ICGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)N=c1cc[nH]cc1 802022703 FNCMJXZKEQEDID-UHFFFAOYSA-N 430.490 0.955 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 804952491 MXUSNKCGVJTLEI-HXUWFJFHSA-N 436.432 0.581 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806978992 KMXOJKZZHPFCRI-UHFFFAOYSA-N 432.820 0.974 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 806979238 WRISAEDIGDGHGT-UHFFFAOYSA-N 428.445 0.487 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 807382787 POPKCSPEATWAKW-UHFFFAOYSA-N 428.470 0.666 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 813033282 MHYJIVCDRKSGMK-UHFFFAOYSA-N 433.494 0.842 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2c1=O 824873211 JNNZMRZZGNNRHW-HOTGVXAUSA-N 439.472 0.914 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1-n1cnnn1 914749575 GBBPTNCFJRSNDA-UHFFFAOYSA-N 435.853 0.346 50 20 ICGD O=C(CCc1ccncc1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916092983 TWCXNNMKMYKZBH-UHFFFAOYSA-N 446.529 0.815 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1C 916253794 LMEHDDILWDNHLV-UHFFFAOYSA-N 439.538 0.824 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1ccc(-n2cncn2)nc1 916395392 HWRTXXAWUKQQBT-UHFFFAOYSA-N 449.519 0.705 50 20 ICGD COc1cc(CNC(=O)NNc2ccc(-n3cccn3)nn2)ccc1OCC(=O)N(C)C 916641469 KHVKMDOCZDOANM-UHFFFAOYSA-N 440.464 0.964 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 919806961 XCLPGUORPSKDEX-CQSZACIVSA-N 433.446 0.852 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1 919961237 YFOBIGPAQVEART-SECBINFHSA-N 426.314 0.437 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CSCC(=O)Nc1cccc(Br)c1 920211495 RHKMPPORDIYWTF-UHFFFAOYSA-N 431.312 0.793 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)NC3CC3)CC2)cc1 920766548 SMYSEHFSSLKIMI-UHFFFAOYSA-N 437.522 0.101 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ccn(C)n3)CC2)c1 1256184457 NHVQAICZKLRFMX-UHFFFAOYSA-N 448.549 0.793 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nn1)OCC 1318256913 WVNIXABPEZTQOM-UHFFFAOYSA-N 432.485 0.145 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830787 JEUQJLPTMMJJOT-DLBZAZTESA-N 427.292 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778981900 CAIYDFUKKUZPCD-NYYYDFRBSA-N 429.477 0.643 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1779300245 NUOZDGCQPOXXRZ-PXNSSMCTSA-N 426.634 0.304 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779529383 NOLLDIJTNCLXAV-NHYWBVRUSA-N 431.218 0.309 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230896 AKVQPHHEYVHEBZ-KFKAGJAMSA-N 435.396 0.689 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783375158 HIYGWGBUZLVVCN-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783807375 RAHSGHAUOKEMTQ-LGVFNWMJSA-N 434.301 0.614 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1783871266 OPKOHLKTUAATLB-KDOFPFPSSA-N 441.941 0.725 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785336198 NZMWBDJLEHQCDB-XQLPTFJDSA-N 443.953 0.711 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786745165 FYHHBGUZKZNUAY-QZWWFDLISA-N 446.386 0.719 50 20 ICGD COc1ccc(F)cc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791380435 NABXMMIEKOTXHZ-RPZXMPESSA-N 428.888 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CC[C@H](N)C(N)=O)CCC2)cc1 1791600120 QECDALUJSZUEKY-INIZCTEOSA-N 432.525 0.086 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792940842 AGTPCAVLSZYLFT-ZGUDAKFJSA-N 449.935 0.702 50 20 ICGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)cn1 1794948434 ORQXJYYTTREWMU-OHTBPHCPSA-N 427.299 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)nc1C(F)F 1797194293 WPJYIFKXUGLRAW-CLLJXQQHSA-N 426.468 0.983 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)[C@H]1SC(=N)NC1=O 1797956056 XAKPPBSFJFDEFR-ZZVJUGKHSA-N 442.614 0.230 50 20 ICGD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522892 APEBBWZAYZPCST-GNTLTTKYSA-N 435.433 0.758 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1800979330 ACLDFMRMEWTECG-SFNKJDCFSA-N 436.940 0.227 50 20 ICGD Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801658680 RAWVAUHWSGUVOD-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccccn1 1805441812 YKSPFXSKBUEJKF-RXVVDRJESA-N 430.273 0.790 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806358207 UVSFFLUQGLGNNG-UHFFFAOYSA-N 444.337 0.943 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359516 AJRYFRMDMPDBAA-RXVVDRJESA-N 445.288 0.493 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363935 GHUGOSNHDRMUKP-MJGOQNOKSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369602 PUVPGTZLQPWMHL-DENIHFKCSA-N 447.304 0.437 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374854 KFAXMXBDJJJAOK-RXVVDRJESA-N 447.304 0.735 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375750 VBBHMIJHLGFGFP-UZLBHIALSA-N 436.252 0.862 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1811472153 XFIZZOLTBUWOJH-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1813171640 BUUOYSRDKXTRAT-KUHUBIRLSA-N 449.305 0.797 50 20 ICGD C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815198308 OHTNXIHRGNHKOD-CXAGYDPISA-N 439.476 0.752 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815339373 BKQKRUQTDXCVHQ-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)no1 1819464809 JDAMSMQHMQIVLQ-KGLIPLIRSA-N 438.872 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cncnc1)CC2 1826085164 IBUKAUSSPIYRRL-CQSZACIVSA-N 445.549 0.851 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830225930 WAQGOVQKTQWAEE-MGPUTAFESA-N 442.896 0.130 50 20 ICGD CCSc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720206 VBLSYNJOTSWMDM-DNVCBOLYSA-N 443.953 0.863 50 20 ICGD O=C(c1cc2[nH]ccc2s1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731808 PUZAISASQFEFEP-FZKQIMNGSA-N 427.910 0.899 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1OC 1830732870 WJGSSFRHOMBWAW-QRWLVFNGSA-N 442.896 0.374 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1831173913 PACVJKYTSFTIAJ-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831188932 SNLGNUZJQYYOGD-PVXIVEMSSA-N 438.294 0.048 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833532364 MADMKAIDCPOVBA-FQEVSTJZSA-N 449.788 0.959 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167043 JUXGJTXBVYKZCR-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834390011 XAINTEHVXKRYID-YOEHRIQHSA-N 429.315 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835078024 ZOLGUAZWXZONIA-CQSZACIVSA-N 441.916 0.327 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064479 QMDXPVRNNNVWCU-CRAIPNDOSA-N 443.342 0.593 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1838272935 HGPHAVLYLUFTDR-GOSISDBHSA-N 443.342 0.838 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840030075 ZNLDGNGRPWKXHU-MEDUHNTESA-N 447.717 0.983 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355191 ARCJTQOYHHLGLW-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC=CCC1 1840553828 DNUHKPHMJYRPEG-XZOQPEGZSA-N 442.321 0.183 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842831321 PUTVEYFWUAZHPD-UHFFFAOYSA-N 444.444 0.960 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1846361936 XVUUTAHPZRQHET-KKUMJFAQSA-N 445.944 0.814 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 12699598 JTRJUGKFPNVYJN-UHFFFAOYSA-N 428.474 0.459 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871908 IDZQKRGJZLIMGU-UHFFFAOYSA-N 437.478 0.227 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 725874194 WLZZBJCYJQRHHE-UHFFFAOYSA-N 448.524 0.770 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 728176893 OIWFZXYGDLPVIC-LLVKDONJSA-N 443.469 0.476 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(=O)n(Cc2ccccc2)n1 728845428 KVCSXCJYSLUOSY-UHFFFAOYSA-N 433.472 0.759 50 20 ICGD CNC(=O)CCN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 729368506 IPQKTDHYZXBBPW-FOWTUZBSSA-N 438.488 0.936 50 20 ICGD COc1ccccc1NC(=O)COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1OC 729455563 LQRXSOGZOPCNDD-UHFFFAOYSA-N 440.416 0.914 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1ccccc1I 731851558 CBJJTUMYMKTWEF-UHFFFAOYSA-N 427.202 0.514 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C[C@H](C)O[C@H](C)C1 741027471 ZQHNWAAEDFLBNZ-SLGAXEFGSA-N 449.504 0.651 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 747308397 OZXIIXOWSRAUKS-GFCCVEGCSA-N 437.444 0.518 50 20 ICGD CN(CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 749283936 JUJSUKMGOZEBDU-LLVKDONJSA-N 429.442 0.542 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 751204635 KUEZGSVUTXMPEC-UHFFFAOYSA-N 434.399 0.987 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1c(C)nc3ccccn13)OCO2 753842014 WQWMEDXSJVSOKX-UHFFFAOYSA-N 439.384 0.558 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@]2(O)CCOC2)cc1 755219846 SXEMPMHSZPOZTG-JLOHOZFJSA-N 439.472 0.609 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COCc3ccccc3)cn2)C[C@H](C)O1 756837498 HMVUXDUDMKKKSH-HOTGVXAUSA-N 444.492 0.888 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)C(=O)Nc1ccccn1 758840151 ULCYWPFOHYLXEI-UHFFFAOYSA-N 441.469 0.689 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 763574508 ZYSHALKBLOQVMU-GOSISDBHSA-N 438.440 0.735 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763949366 OQVUJNHMCRZDEX-UHFFFAOYSA-N 436.428 0.727 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 764204340 RRUSPCCJAQVNTR-UHFFFAOYSA-N 437.909 0.979 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 764316415 BSGIUCBJTTZRMA-UHFFFAOYSA-N 432.886 0.247 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764371070 WJJXFDIYLJWQIU-UHFFFAOYSA-N 445.375 0.987 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1C 764378047 HZQUALDEWKSOTN-UHFFFAOYSA-N 425.392 0.904 50 20 ICGD O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764378397 ZEKKQGSOGKFERX-UHFFFAOYSA-N 441.408 0.653 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425732 RSPSJMYWKXCOQG-WFASDCNBSA-N 436.465 0.774 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H](C)O1 767822687 MYDUYYIHUPLZDZ-ROUUACIJSA-N 446.552 0.157 50 20 ICGD COc1cc(C)cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O 768290013 CFDDYJIPOBBEFN-UHFFFAOYSA-N 426.473 0.928 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCCN3CCCS3(=O)=O)nc21 770372062 PUGXBOOXJGWZQN-UHFFFAOYSA-N 426.503 0.339 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 771998438 WJEKZMKBGMUBCX-CQSZACIVSA-N 440.522 0.608 50 20 ICGD O=C(NNC(=O)c1ccc2nc(O)[nH]c2n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 774331193 UZUFBILVKMHRBM-UHFFFAOYSA-N 430.446 0.523 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778671032 IVIBREPYWYVXCE-HNNXBMFYSA-N 435.529 0.447 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 779353054 RBDSDZPNAZKLKW-CQSZACIVSA-N 428.449 0.749 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 782834445 WJQAAZJXRVWAQW-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD COCCOc1cccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782886510 OHYWOOJNWAWLIC-UHFFFAOYSA-N 425.445 0.927 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cnn(CCN2CCOCC2)c1 784379783 GYPCZIIHEMETLW-UHFFFAOYSA-N 437.844 0.859 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1ccccc1 784764859 CTNREDIBLXWUPL-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ncccc2Cl)cc1 784818539 RUAIHOCZEKQWJH-UHFFFAOYSA-N 427.870 0.742 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1 785100133 QWPGNOICWODWPT-UHFFFAOYSA-N 447.398 0.803 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3ccccc3S(N)(=O)=O)C2=O)cc1 788231350 DUKXZYSZQZILDX-LJQANCHMSA-N 447.473 0.253 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCN(S(=O)(=O)CBr)CC1 790013338 CBOFYMWGFDBMDJ-VIFPVBQESA-N 438.266 0.516 50 20 ICGD CN(C)N(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792853881 HHGUAXZDWKYLBL-HUUCEWRRSA-N 446.570 0.385 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 798313998 SBWRPDDVIFYSJU-GFCCVEGCSA-N 428.371 0.429 50 20 ICGD N#CC1CCC(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 799652608 PTKFCPPQPCHZEC-UHFFFAOYSA-N 449.533 0.981 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCc3cc(F)ccc32)c1 802566160 BVJMJVUULUVJCB-UHFFFAOYSA-N 434.449 0.426 50 20 ICGD O=C(NNC(=O)c1cn(C2CCOCC2)nn1)c1cccc(S(=O)(=O)N2CCCC2)c1 809957418 MBQGPMSANYRPCD-UHFFFAOYSA-N 448.505 0.489 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3ccnc(Br)c3)c2)CCN1 812985472 CNYZXDKEPDZRMW-UHFFFAOYSA-N 447.293 0.858 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814638723 VGBIEIBYZQVHFI-LBPRGKRZSA-N 435.510 0.770 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 859238592 HKSHCZBIFKSTOZ-NXKWAJLKSA-N 429.429 0.281 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 912861128 XKGQHXUZHLZJGN-ZDUSSCGKSA-N 437.449 0.922 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(S(N)(=O)=O)c1 916197104 NTEMMTPETJRVMR-GFCCVEGCSA-N 444.473 0.931 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F 916379031 YIZNZMLZDIWEKV-KRWDZBQOSA-N 440.382 0.841 50 20 ICGD Cn1cc(C(=O)C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cn1 1318270849 PNURTHIOCBTMJQ-UHFFFAOYSA-N 430.424 0.822 50 20 ICGD CC(C)c1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 1322210219 BWYIHGHWGFLVEW-UHFFFAOYSA-N 449.533 0.948 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1780793980 PBDJQSKYAPCOTD-HSTIPLNKSA-N 434.306 0.812 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1781222367 SMLQKMJKCWQAMF-GPMSIDNRSA-N 425.917 0.304 50 20 ICGD NC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1 1784930966 PPFQICUGAIJZMQ-GUYCJALGSA-N 428.258 0.920 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1788565334 BGPBBAFIXCTMNS-FQKPHLNHSA-N 447.374 0.847 50 20 ICGD Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)cccc1=O 1789922213 IFQZPVXXSPDURS-TZQJONAQSA-N 430.274 0.669 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1791057880 RPHXFHKCGCLHLZ-GCPZOVCVSA-N 445.383 0.776 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)F)no3)C[C@@H]21 1791289099 JZTURADNCPZWGP-HUBLWGQQSA-N 443.451 0.579 50 20 ICGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)ccc1[N+](=O)[O-] 1792979129 WPFRIHBXKIHCAW-HRJSJKBJSA-N 441.868 0.335 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(O)c1OC 1792979731 DAHDJQAGHMGCDT-NDPMZMCLSA-N 428.869 0.212 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115769 XEQQHUMDMXYTNH-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796187912 LLLDQYIKDBFLDD-BVRUVYRISA-N 428.294 0.208 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 1796597028 NATRLSIJUGQABS-FQLMCAECSA-N 443.342 0.906 50 20 ICGD O=C1NCCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](F)Br)C4)cc21 1797968754 CCMVRIMXLYJAIE-MIJXAVMKSA-N 442.289 0.959 50 20 ICGD C[C@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800093920 JOCODAFVTUNFII-KANFNMMFSA-N 444.536 0.105 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800156687 DPZHKAKJAREUKT-ZIQFBCGOSA-N 428.324 0.643 50 20 ICGD Cc1csc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801009626 UOVZKIIBKHFNDM-VPTLXERWSA-N 436.578 0.952 50 20 ICGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1801987508 FLNWDLZBPUGUSL-QKPAOTATSA-N 431.917 0.044 50 20 ICGD CN1CCN(C2(C(=O)N3CCC4(CCCN(C(=O)[C@@H](O)CCl)C4)CC3)CC2)CC1 1805525098 CKVGNSKOIXKHLL-KRWDZBQOSA-N 426.989 0.597 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807374893 OZWKQAMDDRMCFQ-NKRIVTLJSA-N 437.261 0.112 50 20 ICGD O=C(Cc1ccccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807654343 RHNIXKKQPMZSPE-AUSIDOKSSA-N 444.300 0.719 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811486357 NDNBUDLIUBJIMC-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813072352 ATWKGOVZVWAMHA-DYESRHJHSA-N 442.524 0.142 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCOC2)[nH]n1)c1ccc(B(O)O)cc1 1817475783 UMTVUIOCOAXTCM-QAPCUYQASA-N 426.282 0.822 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)NC=O)[nH]n1 1818113542 PNFGZVXMYAHDEI-VTYPVHGBSA-N 442.480 0.670 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830537769 OBVQNDUNKHSHMS-NHYWBVRUSA-N 437.360 0.100 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1830540624 QZZUOMGRYKLLHF-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1832206402 PCTVNYDNZACSIN-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832484864 UWFJHEYFRDOEJJ-WCIQWLHISA-N 441.532 0.811 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1832732286 VEOFQIWRXROLEI-SFHVURJKSA-N 445.303 0.072 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1834769557 LGXMSGLOUBXGKD-CRPWZZHVSA-N 447.326 0.593 50 20 ICGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834933568 ONHFJDVCVGYPKA-CQSZACIVSA-N 431.310 0.989 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836364167 GGPSWXFPSVKZRC-HJPURHCSSA-N 427.354 0.598 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838198712 MDBQOCZRYQFSSL-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838338269 VVWCMRSOKUIVAR-XJKSGUPXSA-N 432.246 0.081 50 20 ICGD Cc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838496442 IJOKYDMRICLAAK-UHFFFAOYSA-N 446.552 0.770 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838644570 PAAYQKCTZHIJQF-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805082 GTPCVCSTFPPYJX-SJORKVTESA-N 436.292 0.473 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)N1CCN(C)CC1 1839101832 URIKLASRMGYHHE-DYESRHJHSA-N 445.004 0.344 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839966744 OKJICODHBZEGLA-YOEHRIQHSA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840153875 DJAKZSVDGMLCAZ-OXQOHEQNSA-N 425.913 0.827 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840156692 XIQPFGIJDWVBEZ-PHSYYZNHSA-N 444.912 0.040 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841388200 MVLDXHWZVXCNIA-UYAOXDASSA-N 449.511 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CC13CCCN1CCC3)C2 1844264924 YTILUATVEOINGI-UHFFFAOYSA-N 426.521 0.521 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@](C)(Cl)CCl)C1 1845173603 XTHSFXQGRFKKPR-PBHICJAKSA-N 430.336 0.897 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825178 ALSVDIIQDNUMET-LLVKDONJSA-N 427.255 0.743 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1846362240 TXCCRRCTEBGIHZ-KBPBESRZSA-N 433.933 0.983 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2ccccc2o1 1847423139 GIIIMVCZXWBWSU-ROUUACIJSA-N 432.241 0.602 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563306 IDWOCVAZPBXOFU-PLZKBRGSSA-N 427.929 0.901 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 727766277 ORLVOYPWLIHBAF-PXAZEXFGSA-N 434.474 0.730 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 728214383 NYLAWPWOEJDPSC-UHFFFAOYSA-N 430.490 0.962 50 20 ICGD O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)NNC(=O)[C@@H]1COc2ccccc2O1 728323344 XHQYEEMYBGIKIN-YOEHRIQHSA-N 441.444 0.366 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 728379272 YRFOJVAXHQGDCG-UHFFFAOYSA-N 449.441 0.935 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 728507200 OGYPKBBVSIGPOG-UHFFFAOYSA-N 437.478 0.872 50 20 ICGD O=C(COC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)NNC(=O)c1cccs1 730619199 CZQUBGWMVPYMPU-ZDUSSCGKSA-N 445.453 0.877 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 731494158 QYEATLKXESCACT-UHFFFAOYSA-N 449.485 0.986 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733171317 NGYPHLNJVLDUPA-UHFFFAOYSA-N 443.504 0.971 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2nnnn2C)cc1 733407785 SXZPKDOGIZZLSS-ZROIWOOFSA-N 436.432 0.608 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)NCCN1C(=O)CNC1=O 733657130 GTQOINVVYOLYKW-UHFFFAOYSA-N 441.444 0.527 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 741207255 LFMGUXJLGHVQPT-KRWDZBQOSA-N 449.471 0.741 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744353459 UYJUIRPLGVWZMC-KBHHNBKMSA-N 445.472 0.551 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744820002 WQTXOZLEWCBZEV-INIZCTEOSA-N 436.490 0.457 50 20 ICGD CN(C)C1(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)Cc2ccccc2C1 745842624 CGZCLCWVNXIEGG-UHFFFAOYSA-N 434.500 0.977 50 20 ICGD O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)N1CCOCC1 745991964 OFINZAXMPVZCQV-UHFFFAOYSA-N 438.428 0.837 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 749601098 MISPERRTPOFMFQ-CQSZACIVSA-N 437.294 0.824 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 751206912 OGUFZXMSTGGQKH-LLVKDONJSA-N 434.836 0.872 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2nc3ccccc3c(=O)n2C)cc1 752909696 XYIGXZDEQOYGIM-LBPRGKRZSA-N 431.474 0.752 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1 756839750 SZOVIWNVXKNEKZ-UHFFFAOYSA-N 426.437 0.502 50 20 ICGD COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 756932268 YBHCZKPTZGPWAZ-LBPRGKRZSA-N 431.474 0.622 50 20 ICGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 762385073 LPGFKUQZOLIUAP-OAHLLOKOSA-N 437.522 0.426 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)cc1F 763571276 LRYISVGKMRLJHC-HNNXBMFYSA-N 435.339 0.677 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763682877 QVSLZKDIDSOCJH-UHFFFAOYSA-N 443.391 0.042 50 20 ICGD CCOc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763718796 MTSJHQSQWBLIEQ-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718903 RPEMGOZOIGHNQB-UHFFFAOYSA-N 448.457 0.123 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763728828 RJLPFLDFZGYIAN-UHFFFAOYSA-N 444.513 0.770 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 763917021 NTQIIWHEDIIOBL-UHFFFAOYSA-N 445.823 0.733 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1COCc1ccccc1 763998125 LSWIYEVIEJINNC-QGZVFWFLSA-N 445.497 0.924 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1OC 764007054 YHVXLELZQPBFHX-UHFFFAOYSA-N 445.428 0.891 50 20 ICGD Cc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)c1 764226106 FVAIQTHIQAXIGF-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 764226623 JMMLXVGZVNBYAA-CQSZACIVSA-N 448.501 0.332 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 764421991 ULXXOAGZTBIYSW-UHFFFAOYSA-N 443.391 0.575 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776059952 UZRKYMPADJBPMR-CYBMUJFWSA-N 445.461 0.601 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 778442178 SNTGMOTYNRLIBA-UHFFFAOYSA-N 433.509 0.788 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780366537 VNEDWVGBBIAQSH-UHFFFAOYSA-N 449.514 0.707 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 780888619 UPNJVAQKLSRXBU-KRWDZBQOSA-N 428.537 0.540 50 20 ICGD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784001648 AAUYMJXOKBIKST-UHFFFAOYSA-N 429.433 0.242 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 784003737 NGADZHVBNQKSTQ-UHFFFAOYSA-N 444.473 0.184 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1F 785067102 GYQLLRCPCCPJGQ-UHFFFAOYSA-N 437.395 0.086 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](Cc2ccccc2)n2nnnc2C)n1 786128989 PNLZRLIYIJFPEH-HNNXBMFYSA-N 443.489 0.464 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 789331454 LSASCRIGPRRYFB-SJORKVTESA-N 440.522 0.609 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)CSc2ccccc2OC)nc1 792399616 HRZRLWFCFLEBNZ-UHFFFAOYSA-N 425.492 0.943 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cnc1C 793417599 XUFJIQVIADHECQ-UHFFFAOYSA-N 430.483 0.791 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1ccnc(Br)c1 793835921 XLCYJICRZGSJTQ-HNNXBMFYSA-N 426.271 0.903 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1 805180824 OSKBVGMOVSXORG-UHFFFAOYSA-N 431.501 0.841 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)(F)F 806566094 XNGBARWULFXBFB-LLVKDONJSA-N 432.446 0.539 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 807018344 VNTXYIOEELAQAQ-UHFFFAOYSA-N 430.299 0.761 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 807070267 LDDDXRMJIRNGJR-CABCVRRESA-N 437.456 0.187 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cccc(C(F)(F)F)c2=O)n1 907525790 NWYNADCTAKIZOJ-UHFFFAOYSA-N 432.380 0.565 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)=NN1c1ccccc1 913254318 LCWKJMQGVYJMBD-INIZCTEOSA-N 443.847 0.764 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCCCC3)nc2)CC1 916196255 WKLFNJDFONHASD-UHFFFAOYSA-N 439.586 0.520 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919886104 UHXZONZXAPVMHS-PWSUYJOCSA-N 444.897 0.219 50 20 ICGD O=C(NNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)N[C@@H]1CCS(=O)(=O)C1 919888995 JVLXMXJOUMGBHY-OAHLLOKOSA-N 437.522 0.316 50 20 ICGD CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CCC[C@H]2C1 1327109146 ZEFPLZMYLXUPFN-KSZLIROESA-N 429.525 0.670 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnoc2)C1 1778164660 QQEBAQCZKUFKKS-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545508 UQTNDEZHVHYDCL-DNVCBOLYSA-N 444.674 0.836 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@H]2F)C1 1780631947 IZDDEONXBGEIIU-VHYRFQQMSA-N 433.484 0.992 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCC(F)(F)C1 1783454298 OVBFRRHFHHEHGO-LAQRGFTBSA-N 436.264 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1783932819 GSHFABULSVIAQR-QLPSFHHPSA-N 449.464 0.404 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CBr)C[C@@H]32)n1 1787049284 HAEOQCZBEBUKBU-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476642 CKQVFGKXCMWJOS-DCAQKATOSA-N 430.259 0.696 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1)c1cc(=O)n2[nH]nnc2n1 1788407291 AAXYNLPUIMASCB-CYBMUJFWSA-N 431.840 0.160 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1c[nH]c2cnccc12 1788453554 BLKKIYLJSZBGRH-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)N1CCN(C)CC1 1789797333 IOYMGLLXNAXFRZ-QXKUPLGCSA-N 449.365 0.293 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1793535815 FSLRCQOQVWZVTL-SVNGYHJRSA-N 428.324 0.643 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1793839585 HPDJISCDMZJBOK-YIDVYQOGSA-N 445.944 0.860 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(F)c1)C2)c1cccc(B(O)O)c1 1795739962 WMDQFDUQMNWLNJ-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD CC(C)c1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)no1 1796188219 CGGDEANYZRROCF-BJWYYQGGSA-N 426.282 0.367 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796396962 UKKBRMWMTCRKPN-RKOFLFEYSA-N 439.354 0.572 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796601361 XPSRXESXMRSZAX-WCDSHICPSA-N 440.460 0.879 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)[nH]n1 1798173194 ICAWNBAFSIBZJC-AHXJXLJNSA-N 433.896 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ncccn13)C2 1798440089 AYPBXZMAZFDKMX-BTTYYORXSA-N 434.460 0.293 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440564 QDTIURCNFCOWSH-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cnccc3C(=O)NN)(C1)C2 1798443060 PFNKPXXJPIUHGV-ABHVRBQOSA-N 441.488 0.280 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1802276425 HZCSCRVDKYZIJR-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1802902264 KELZGPURMPRYKY-HKUYNNGSSA-N 440.972 0.639 50 20 ICGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803353374 XNXQVHVDZLKNMW-YOEHRIQHSA-N 442.476 0.019 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361138 VWDFKEGOGNEGMJ-DFQSSKMNSA-N 439.321 0.488 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366372 SYUROIRSIUKLIO-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366733 GNFBOPMTTWYGMG-SGMDADPQSA-N 445.288 0.518 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1810302874 NAKRYEBOWPLHQS-IPELMVKDSA-N 438.488 0.579 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810967550 KHJFTLLKTRQIPR-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)nn1C 1815339585 IQQQIBGYLUOVGM-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)c1 1816574961 XHBMCAFGJTUQLH-INIZCTEOSA-N 437.464 0.761 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCC(O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817479828 TZHVTTXGHPABRU-ITXXBFQVSA-N 440.309 0.947 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1825355556 MKDLHNKGJXXDCL-SFHVURJKSA-N 425.298 0.042 50 20 ICGD Cc1nccn1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060100 AVINZNBHRKUWON-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250133 WUFWLBCMCMZRMO-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1834818894 AHTVHCDMOZNLEL-NVXWUHKLSA-N 431.283 0.554 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834819554 QYAVITTXMGMYRW-SFHVURJKSA-N 443.342 0.512 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444336 YKEZKIFQESDEPY-TTYLXTBDSA-N 440.617 0.766 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715297 HWNHPRWLZGFMRA-QFBILLFUSA-N 439.589 0.222 50 20 ICGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838395557 ARZBRLXHZOOHRC-INIZCTEOSA-N 449.017 0.723 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1ccnn1 1839155556 XCOXKIRCIZWDNW-KBRIMQKVSA-N 434.324 0.532 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839197946 NRGYVPDWFOHGHJ-CZUORRHYSA-N 447.261 0.373 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961079 VBQRBRJTOYRNLA-BEFAXECRSA-N 431.316 0.850 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839962684 OIVYHJWUDZAAKJ-YVEFUNNKSA-N 443.298 0.426 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1840031174 HUTNSDHONRQWQY-RLFYNMQTSA-N 443.342 0.759 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1840150586 NLDNVWXEDZRVDR-UGSOOPFHSA-N 432.880 0.191 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc(F)c1F 1840702948 BIJHQXFRPCTTIV-BEFAXECRSA-N 432.851 0.943 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1846005061 SOLJVFQWKVDKTA-GFCCVEGCSA-N 432.433 0.862 50 20 ICGD O=C(CSc1nnc(N2CCOCC2)n1C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 21690320 LXIWLYHEYPTUEF-UHFFFAOYSA-N 447.477 0.911 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(C[S@@](C)=O)c2)cc1 26772649 TXFSFIWWFBVJPX-NDEPHWFRSA-N 437.543 0.955 50 20 ICGD CCN(CC)C(=O)CCCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 110966609 ZNDZRHUYPBKCQC-UHFFFAOYSA-N 426.539 0.802 50 20 ICGD CN1/C(=C(\C#N)C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)Nc2ccccc21 230026538 JQEJFZIAPDNSJO-XNTDXEJSSA-N 425.836 0.953 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)ccc1Cl 726152406 NYSBLMYYCYPLFI-UHFFFAOYSA-N 435.849 0.159 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCCCCCC3=O)cc2)CC1 728215793 JDDLKKHGNDIYDV-UHFFFAOYSA-N 437.566 0.859 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 728575669 GXPNFJDNBRUBBP-UHFFFAOYSA-N 437.928 0.350 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)cn1C 728826691 UQMBNIWWTBUOCL-UHFFFAOYSA-N 430.490 0.462 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2nnc3n2CCC3)cc1 730935405 TUEFZCCGSVXDHU-CYBMUJFWSA-N 435.510 0.245 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734241097 CNEGEPCGXFQICX-UHFFFAOYSA-N 429.499 0.406 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(-n4cccn4)ccn3)cc2)CC1 736675618 LUVNUOKCZRKWHR-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737469235 GTAUEZYMNVCGOA-UHFFFAOYSA-N 441.444 0.179 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2)C[C@@H](C)O1 740746815 OXURNBWOKSFVIU-VXGBXAGGSA-N 431.478 0.908 50 20 ICGD Cc1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)ccc1-n1cnnn1 744621861 RTDBQKZTNOOIHQ-UHFFFAOYSA-N 443.489 0.749 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)cc1 744814700 BKHCKZONIOCEEP-UHFFFAOYSA-N 430.380 0.665 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 745863753 WWZJZTUVPSKMTM-OAHLLOKOSA-N 429.525 0.244 50 20 ICGD CCS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 746096285 DZYIVKLSOJYDHJ-UHFFFAOYSA-N 432.433 0.941 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3cn4ccccc4n3)C2=O)cc1 746549179 NYWAHAFMHBEYEN-JOCHJYFZSA-N 434.456 0.800 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 746701892 OGRWMEYVMBYFHJ-UHFFFAOYSA-N 443.485 0.828 50 20 ICGD C[C@H]1Cc2cc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)ccc2N1S(C)(=O)=O 751427236 ZLZYLGBRYARNIX-RRFJBIMHSA-N 438.550 0.658 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1Cc3ccccc3O1)OCO2 753842160 YYGNFODHJYKETJ-MRXNPFEDSA-N 427.369 0.292 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CO[C@H]2CCOC2)c1 753947976 ITPULWHKWBQSKZ-ZBFHGGJFSA-N 442.538 0.855 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 754674786 IANVGPHCRKSTHZ-NXHRZFHOSA-N 436.534 0.904 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 756833069 YXNFPGJYPVVGHS-HXUWFJFHSA-N 435.481 0.249 50 20 ICGD Cn1cc(Br)cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1=O 757594601 NRVHNYGUHRVBGZ-UHFFFAOYSA-N 447.249 0.861 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)S(=O)(=O)CC2 757708587 IQBLQJCVHGPEPO-UHFFFAOYSA-N 430.490 0.876 50 20 ICGD C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758059056 ZSNLPFYSQBWFAL-JHJVBQTASA-N 441.510 0.776 50 20 ICGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nn1 762974906 XYYQDNBWETXJLN-CQSZACIVSA-N 447.459 0.494 50 20 ICGD Cn1ccnc1-c1csc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 763569923 CTLIJYZMYNNPLK-CYBMUJFWSA-N 428.430 0.470 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)n1 763892625 GBSNKIZTUINEPP-HNNXBMFYSA-N 433.440 0.983 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1COCc1ccccc1 764227070 LWRQGDLBHAHMJB-CQSZACIVSA-N 448.501 0.427 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 764371025 VFJHHRSGTGQWEF-QGZVFWFLSA-N 442.428 0.002 50 20 ICGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 768260125 SEUWKTQLLZVNJJ-INIZCTEOSA-N 427.255 0.134 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=S)NCCSC)C2=O)cc1 769767303 JBRMUCWXWGHTOB-KRWDZBQOSA-N 425.536 0.321 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(C(F)(F)F)nc2)cc1 777760992 WFQDACFTUBEHDD-UHFFFAOYSA-N 431.396 0.886 50 20 ICGD N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc1 780654936 NJPWCBFVPOHXAN-UHFFFAOYSA-N 428.474 0.882 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)sc2c1CCCCC2 783999621 QIDGPHLKKMQYHM-UHFFFAOYSA-N 436.490 0.512 50 20 ICGD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000014 RPLVOWAQVMMSFS-UHFFFAOYSA-N 434.403 0.226 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789732823 YMYWBBUQSNLZDG-YFKTTZPYSA-N 426.520 0.567 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(Br)ccc1Br 792317357 TZRIPZGFUBMNEG-RXMQYKEDSA-N 444.105 0.305 50 20 ICGD C[C@@H]1CSCC1=NNC(=O)C[C@H](C(=O)NN=C1CSC[C@H]1C)N1CCOCC1 794911904 SYSJVKPCQUWWMY-XJKCOSOUSA-N 427.596 0.788 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(OC(F)F)nc2)nc1 802569634 WVZZAABWVTXBNJ-UHFFFAOYSA-N 444.420 0.847 50 20 ICGD CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)n1 806975324 UAOARDCFONLNRS-UHFFFAOYSA-N 436.494 0.583 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 806978397 ZGLZNJHHYTYYOV-UHFFFAOYSA-N 429.495 0.637 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)CN(C)C 810334565 XZFIORPBZJCHKN-QGZVFWFLSA-N 438.575 0.949 50 20 ICGD COCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCN(C(=O)OC(C)(C)C)CC1 810572342 QJIIJFITYXUGFF-UHFFFAOYSA-N 449.508 0.623 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)c1 810914956 JPALBAXCUBWMNU-UHFFFAOYSA-N 425.488 0.714 50 20 ICGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 811677637 FGCAZMWCDKCGFR-UHFFFAOYSA-N 440.503 0.319 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccnn1-c1cccc(Cl)c1 815691029 CSJJPXIQNAVVPD-LLVKDONJSA-N 428.840 0.466 50 20 ICGD O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 821135162 MDECGGWOIXKNGE-ZCFIWIBFSA-N 432.705 0.242 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(CC)C2=O)c2ccccc2c1=O 884751686 IOWOEPVUKWBWDG-HXUWFJFHSA-N 428.449 0.288 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1 913156207 VPZAMYUOJDSYGO-UHFFFAOYSA-N 437.449 0.671 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCN1CCCS1(=O)=O 919437427 RCVNXEUXPIYDOT-UHFFFAOYSA-N 433.870 0.078 50 20 ICGD O=C(NNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)N[C@@H]1CCS(=O)(=O)C1 1116055784 PAHVHTIJUBQLNK-SECBINFHSA-N 443.279 0.422 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1 1317801401 YOLVNYCMHMYSAA-UHFFFAOYSA-N 432.911 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730698 OUHOATMZUZHMDT-LAUBAEHRSA-N 436.940 0.467 50 20 ICGD C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783917899 UCOMZHIWTGTQEX-JOCHJYFZSA-N 429.521 0.739 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1783933974 PUOOQPLPIRCBLY-IERDGZPVSA-N 433.509 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1783936115 GKWQQKDDCBVGDE-QFIPXVFZSA-N 432.521 0.658 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784099155 RBVOVTCWVHONSD-YXMSTPNBSA-N 447.960 0.727 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784314523 HRFYLPKBHNIAKJ-OWKQYDBXSA-N 439.476 0.387 50 20 ICGD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cn1 1785093860 IAKVSDDYYBAFNZ-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979522 UVSXAIOKYIPFKM-YYWHXJBOSA-N 438.289 0.039 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980011 YNBJWFGTZOBEQV-SNRMKQJTSA-N 428.319 0.264 50 20 ICGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ccc2c1OCCO2 1787359445 GFNHHTAFQNLICM-MBGYTDRXSA-N 438.908 0.959 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789358827 NPERCYYOHXCFTI-QEYWKRMJSA-N 425.795 0.017 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1791286280 KZRWTLKNNPVDSW-LNINBKOHSA-N 439.336 0.818 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCCS1 1793410688 DFCPGXQCXWXDLP-MGRLTOJPSA-N 431.518 0.731 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1F)c1ccc(B(O)O)cc1 1794814810 YZMJDHBMWMHDBN-MUJYYYPQSA-N 426.257 0.672 50 20 ICGD CO[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccccc1 1795173483 ZBRZNGWUHXRJPZ-HRQSHJORSA-N 432.521 0.337 50 20 ICGD Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332492 QWDFTHOFRWQMHC-BJUDCHGJSA-N 442.426 0.904 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccc1 1801253590 VEIWSAFJQSKSJE-FSWGRJFZSA-N 440.504 0.773 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802256912 ZTKGYSHATRFDEY-HNULKUCHSA-N 442.321 0.598 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1805831444 ACRXXMYPEURVMA-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807361273 WKSYRCWGRUTNPC-QUCCMNQESA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cscn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362118 DTGKDHPQCPSDEY-VQIMIIECSA-N 436.302 0.851 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807365220 LRJOOHWYMGCSQV-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD Cc1nn(C)c(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)c1F 1807803284 DGXMDMZEGFOXKR-UHFFFAOYSA-N 442.300 0.706 50 20 ICGD COc1ncccc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968285 PNCWNAZDWIJIOT-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c(O)n1 1809978089 WXBFBFAWWICQDD-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD CCc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n[nH]1 1817702939 KIQKHVHNUBUWRM-GOSISDBHSA-N 436.281 0.995 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)[nH]n1 1819402994 RGEZSFGFLQYJOC-OZVIIMIRSA-N 427.465 0.485 50 20 ICGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1824553226 GYWBCXQDJHWTDZ-PSASIEDQSA-N 427.870 0.229 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1830545533 KMODEQMBYNWOBV-LPHOPBHVSA-N 446.386 0.960 50 20 ICGD O=C(COCc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723289 NBODBGSXAGQKIT-FXAWDEMLSA-N 426.897 0.259 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738144 MVQQQWPUQVEGKU-RDTXWAMCSA-N 436.814 0.774 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831188931 SNLGNUZJQYYOGD-KFNAQCHYSA-N 438.294 0.048 50 20 ICGD C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833477365 RXLHQYULFBJNMP-KRWDZBQOSA-N 437.585 0.522 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1833508760 TYHLCQXUTJPFHB-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790295 OUMHIPHIZQOONP-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1834163786 NSFDQDPXANBWHP-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834418127 GEKWRTBCCMXKLT-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)C(Cl)Cl)CC3)CC2)CC1 1834623289 CKHVJWFQRPQKJH-UHFFFAOYSA-N 448.439 0.999 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3csnn3)CC2)CC1 1836945098 KLQWUIMRBMNABW-UHFFFAOYSA-N 438.554 0.523 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1C 1839153175 CQONDFIZKDXGRJ-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839153319 GRMOTTQQTWJNAI-IAGOWNOFSA-N 436.292 0.473 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199197 KFKVAPQDAJSYBC-BBRMVZONSA-N 448.245 0.253 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840151138 VXQOITRZVLBOSQ-LIRRHRJNSA-N 434.917 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1840151698 LKXUCYRKPIIRIF-MGPUTAFESA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840153512 QKVZVXHQLFETBJ-LIRRHRJNSA-N 443.884 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840156690 XIQPFGIJDWVBEZ-HJXCVWKLSA-N 444.912 0.040 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1840183498 HZDUHDQHYVDTSV-IBGZPJMESA-N 442.513 0.330 50 20 ICGD COC1(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CN(C(=O)OC(C)(C)C)C1 1841351167 IEFCVIGHGLZWCQ-CQSZACIVSA-N 445.944 0.816 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843506819 HGFIRTXHWHNLKA-UHFFFAOYSA-N 449.515 0.811 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844130920 OTAYCOAYFGOTIT-UHFFFAOYSA-N 439.501 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1Cc2ccccc2CN1C 1848068991 RGCXXYCZGQWYRJ-UFYCRDLUSA-N 427.549 0.618 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)nc3[nH]nc(C)c23)cc1 725879169 DAHLOLJPYMBFOB-UHFFFAOYSA-N 430.490 0.965 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 727365270 BVPAFHUEGZERGA-LBPRGKRZSA-N 427.552 0.751 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(O)cc2)cc1OC 727542709 ZZFIMMNZBLIGQN-UHFFFAOYSA-N 431.401 0.144 50 20 ICGD COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 728398540 GZPKDQKFFXMSAK-HNNXBMFYSA-N 448.501 0.893 50 20 ICGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)COc1ccccc1O 730835592 IYNPCBIMXHOANZ-JOCHJYFZSA-N 438.440 0.917 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 731987820 TXYGFBWQUZLYEJ-UHFFFAOYSA-N 427.373 0.415 50 20 ICGD CC(C)[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N1CCCC1=O 735116813 GYLGMVYDSIIVFI-QGZVFWFLSA-N 438.554 0.108 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)N2CCCCC2)CC1)C1CCN(c2ncccn2)CC1 736662756 VPPSXQZCUVGMEF-UHFFFAOYSA-N 444.540 0.657 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 740851996 FXTGNYHUDGEIAH-UHFFFAOYSA-N 430.502 0.679 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1ccncc1)N1CCOCC1)c1ccncc1 741766295 JZGNTAZQQBPICA-FQEVSTJZSA-N 437.504 0.948 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1sccc1-n1cnnn1 744621887 IXAJYQVWPRBDBD-UHFFFAOYSA-N 435.491 0.502 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2=O)n1 745882173 DXPOAQBUZZIBEF-CQSZACIVSA-N 438.448 0.451 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 746995079 QZKFQJFJOLSCTE-UHFFFAOYSA-N 437.412 0.758 50 20 ICGD Cn1ccnc(NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1=O 747946021 RWSZWQKCLAZEBT-LJQANCHMSA-N 446.467 0.737 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2=O)c1 747952556 BIQLYSWYLLYFJI-QAPCUYQASA-N 426.495 0.190 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750288423 IDHFGMQORCKFPS-UHFFFAOYSA-N 431.474 0.820 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnc2c1cnn2C 752364000 HFJRTIMZTUKHJJ-HNNXBMFYSA-N 441.400 0.121 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCN2CCSCC2)cc1 756275436 XZIBFUDPVBCLBA-CYBMUJFWSA-N 429.568 0.368 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 758039481 KVFPWAXOQPIAIQ-JGVFFNPUSA-N 442.719 0.955 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 759637467 UTYVNAAVIKMZRF-UHFFFAOYSA-N 440.522 0.892 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC1CC(F)(F)C1 759726385 CMHSVIQMRMAFMG-UHFFFAOYSA-N 446.476 0.768 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762410471 WUMWCGQPMPQTHK-GAYZEQNSSA-N 433.486 0.486 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c2ccccc2c1=O 763280190 BPAHTMLRGOCHQL-UHFFFAOYSA-N 434.416 0.194 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccncc1 763466932 PJKXBEPWNLCFGJ-UHFFFAOYSA-N 449.489 0.567 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(C#N)c2)c1 763509226 OJAFXXYFTRKLQC-UHFFFAOYSA-N 443.485 0.988 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 763629654 QAFYMHZMVIZANI-UHFFFAOYSA-N 439.428 0.984 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1C 763664905 MUEKIICHNXTNMH-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814101 PCJSDNCTBAPHHS-UHFFFAOYSA-N 425.401 0.579 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1OC(F)(F)F 763916745 KFULOYOHONEEFF-UHFFFAOYSA-N 435.322 0.961 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005730 FYBZFLQDUCCAPI-LBPRGKRZSA-N 442.428 0.831 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 764010562 BHTIPOHDKJGELV-UHFFFAOYSA-N 426.838 0.396 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 764078369 RTYXDNZUSJGWIW-OAHLLOKOSA-N 442.497 0.867 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 764166567 CIHIVINHRPCSIK-GOSISDBHSA-N 433.424 0.381 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 764260210 UJEDRCIAKJETQH-UHFFFAOYSA-N 425.348 0.598 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764281252 OHUALLCDNQNTFO-UHFFFAOYSA-N 446.485 0.552 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)c2ccccc2c1=O 765529422 LDGNJGVBPGDBGV-UHFFFAOYSA-N 434.387 0.693 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(-n2cccn2)ccn1 765739596 ZHWDYJARSNWEPM-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 766641823 FLMBTFOSXQWZKO-DFNIBXOVSA-N 426.517 0.987 50 20 ICGD CCOC(=O)N1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N(CC)CC)cn2)C1 771391686 CZXUICHDWIXBNN-ZDUSSCGKSA-N 428.515 0.969 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 773419091 LXIVWGSSQGRDBA-STQMWFEESA-N 434.559 0.745 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c1 773494663 WMUDWEJLBNJRTL-UHFFFAOYSA-N 439.432 0.696 50 20 ICGD CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)COc1ccccc1O 774768311 ZKZHTHCZUHNHNE-UHFFFAOYSA-N 448.906 0.979 50 20 ICGD O=C(CO)NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 777781323 NHOUZNJKEQRNLU-UHFFFAOYSA-N 434.405 0.634 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cnn(Cc3ccc(F)cc3)c2)c(=O)n(C)c1=O 780208368 OSUBCEQMHHJANL-UHFFFAOYSA-N 431.453 0.105 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 780646291 KJHVFAXEWDGSGP-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 782399088 SSZZPXSREAOAJV-UHFFFAOYSA-N 428.286 0.583 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 784338885 GWAUCDBJKCOKQZ-SJORKVTESA-N 435.502 0.292 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1F 785690285 DTUGJLVSVTVPOF-UHFFFAOYSA-N 449.869 0.605 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1c[nH]nc1C1CC1 789732820 LXDSILIUSZLPAD-UHFFFAOYSA-N 447.517 0.702 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 795280755 MCURKEQYQWSKKP-QGZVFWFLSA-N 435.458 0.212 50 20 ICGD O=C(COC(=O)c1ncccc1Br)NNC(=O)[C@H]1COc2ccccc2O1 796097892 FQBWBQQEMNQFLR-CYBMUJFWSA-N 436.218 0.988 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cccc4c3OCO4)CC2)cc1 800838782 LSMCYSNXZLGZPQ-UHFFFAOYSA-N 446.529 0.851 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)n2nnnc2C)c1 801108111 GCLMZXAKTRBUDB-SFHVURJKSA-N 437.460 0.868 50 20 ICGD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 806976348 AXONJXBQTIFIJU-OAHLLOKOSA-N 436.534 0.896 50 20 ICGD C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807476181 AKFNJAJQYBXQRJ-WFASDCNBSA-N 428.536 0.403 50 20 ICGD Cn1nnc(Br)c1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 811450883 PCHLDWOXAFAQAI-UHFFFAOYSA-N 427.171 0.104 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 811790975 QIFKTGUZJFMABB-GFCCVEGCSA-N 442.384 0.713 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CCCC#N)N(S(C)(=O)=O)CC2 812455880 WPDTYSHUSWFLTA-HNNXBMFYSA-N 438.506 0.794 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 815778405 PKKKTFMUWQQXJY-GOSISDBHSA-N 429.477 0.238 50 20 ICGD COc1cccc(C(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)c1 912886388 MUQJMODUAUDNHH-UHFFFAOYSA-N 431.518 0.608 50 20 ICGD NC(=O)COc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 912986331 IARVGRBOWPOKHH-UHFFFAOYSA-N 425.489 0.524 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1 913531711 BKVPYVAPIXGFTI-UHFFFAOYSA-N 435.458 0.646 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ncn(C)c2Cl)c1 914562827 HMBIQJCZNQCPTE-UHFFFAOYSA-N 449.942 0.727 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCC(C)(C)N2CCN(C)CC2)c2ccccc2c1=O 916259135 VQELOWUMHHGPHX-UHFFFAOYSA-N 429.525 0.386 50 20 ICGD CC(C)CO[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917541369 DWSUFHVCDVTCMV-MRXNPFEDSA-N 441.550 0.849 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cc(F)cc(F)c2)c1 919962487 DOAOIGMQOZCPRS-UHFFFAOYSA-N 440.428 0.406 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)=NN1c1ccc(F)cc1 935304878 VJRFPSLBWKBWLP-OAHLLOKOSA-N 427.392 0.478 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 1329997662 BAPYANCUANEIIG-UHFFFAOYSA-N 427.504 0.910 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779317575 NPRIERUCTCNCHY-PMUMKWKESA-N 447.374 0.993 50 20 ICGD N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1780697617 OTHIIZIMQFYFAQ-QFIPXVFZSA-N 434.456 0.314 50 20 ICGD N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1781330705 DFCZRQMBUQXNNK-UNEWFSDZSA-N 429.290 0.992 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332107 UGIQEFUKTFOMJA-ABAIWWIYSA-N 431.218 0.309 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1782172890 PVUVELSNLWMEAS-PJIJBLCYSA-N 436.900 0.506 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)n1cnnn1 1782599675 GQRFVNHGKNVRBP-XJKCOSOUSA-N 429.319 0.533 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1783970149 RVUZIARJVDLKMF-MNXVOIDGSA-N 427.299 0.807 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc(-c4ccccc4)o3)C[C@@H]21)[C@@H](O)CCl 1784091831 DNAFILRTDJMSEC-VGWMRTNUSA-N 434.880 0.930 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21)[C@H](O)CCl 1784093834 GTRZKTVCHMBZLP-SDNTUTLCSA-N 443.859 0.856 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786898047 BOFPMTPVUMIJGV-YHQUGGNUSA-N 434.331 0.202 50 20 ICGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)c2ccccc21 1788139379 FESTWNCAWWXBSL-RASHJEQFSA-N 438.887 0.854 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788610038 YIGKHKRNJVILDA-XDTLVQLUSA-N 430.292 0.082 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611754 ZDYKCBPCUZVALD-OSMBCOQSSA-N 435.550 0.233 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)c(F)c1 1790066496 FBKHWXOPJLYVNO-KNBMTAEXSA-N 442.252 0.118 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1796336342 MBUKZMBOQSXHCE-AICCOOGYSA-N 449.907 0.746 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2)[C@H](F)Br 1799350231 VTIHYYQMSCWYEE-XCCSTKFXSA-N 426.246 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2 1801012561 AKZUXKSULVFTNO-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncccn2)[C@H]1c1cccnc1 1805781459 HHOFXDFJTXUZBT-VQIMIIECSA-N 425.493 0.564 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806380811 OGPYNJIIVZKDDP-IERDGZPVSA-N 433.509 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2csc(N)n2)[C@H]1c1cccnc1 1807241297 QWLKZEZWSRTLFU-KBXCAEBGSA-N 445.549 0.813 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363485 PIKDBZFURCQHPJ-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364038 RVWPIRMQBPCQCO-WIYYLYMNSA-N 448.263 0.929 50 20 ICGD C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCCN1 1807372586 GXVPDSHKNXZBAM-KKLQWCBXSA-N 436.321 0.223 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CCC=CO1 1810259280 WNVHYHLCPRBRKI-CEWLAPEOSA-N 435.289 0.774 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071314 QYKQUWJFIWZXMU-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD CC(C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814945515 AXQOYYYVDBOXOH-DOTOQJQBSA-N 429.481 0.731 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360541 TUWZKCUIDKOEMN-IUODEOHRSA-N 444.322 0.850 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823792510 GSIFRLGYYLLNJR-RBUKOAKNSA-N 437.585 0.894 50 20 ICGD O=C1C[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1827060422 IHNHEGFIQCECLF-UYAOXDASSA-N 441.337 0.126 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1829769465 TYVXPNIEYOJJTI-XOIGSVRCSA-N 448.347 0.538 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830357570 GZUUMWSFRWDXMA-IBGZPJMESA-N 427.885 0.828 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738068 BYQSDECJODMOIW-SJORKVTESA-N 433.292 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832249172 YWCRHBMHIMUKHP-SFHVURJKSA-N 433.557 0.661 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832773522 FCCYJHZNKNBQLP-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccn3)CC2)CC1 1834124556 RJQGODUBDWOOCV-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n1 1836065770 ATVAITQXLGQLHI-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836183900 MCELJCYTTAOFDK-XLIONFOSSA-N 425.913 0.724 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1836297889 NAZKMYZWRXHMHC-MEDUHNTESA-N 430.303 0.214 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1836674401 NRPNWOGYAGSFIG-GFCCVEGCSA-N 433.347 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837224320 MNVYCCJUBXLRAO-FCEWJHQRSA-N 434.917 0.284 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837305437 AGUIEGKWVNZTGR-OFNKIYASSA-N 442.321 0.205 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837672564 NZLMNTFZILQBLD-KDOFPFPSSA-N 448.358 0.533 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324475 TXPRMWLCIPWUIP-DJJJIMSYSA-N 439.900 0.053 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1839963396 JIASHUUCYKQITO-ZBEGNZNMSA-N 431.287 0.359 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031561 UMLCBOCNTQINOE-CXAGYDPISA-N 429.315 0.756 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840151999 TXQIZOCPKICMJJ-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840322973 JCHPBIRNJPRADP-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010442 QGWDJITXOXHYKX-AWEZNQCLSA-N 431.298 0.097 50 20 ICGD O=C(c1ccncc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013892 ZVNUROKNIKUZAS-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843998016 YFVMKEXGYLLSSW-GFCCVEGCSA-N 438.326 0.865 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386222 ONGZMZGITDMWNK-CQSZACIVSA-N 425.530 0.476 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NC(=O)OC(C)(C)C 1847955053 LGWRJXKIBPQEBQ-GJZGRUSLSA-N 439.557 0.865 50 20 ICGD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16786218 BAHRLQFTTICLJJ-VTZXFWRVSA-N 439.578 0.926 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)S(=O)(=O)c1ccc(F)cc1 729299319 OQJGWZZMUYEOHN-GFCCVEGCSA-N 432.437 0.815 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1cc(Br)c[nH]1 730578117 KQTBMIOJSQQJHL-UHFFFAOYSA-N 440.345 0.100 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2=NO[C@@H](c3ccccc3)C2)CC1 735117472 UNGYPHFKSDSQKE-QGZVFWFLSA-N 444.517 0.978 50 20 ICGD Cn1c(CCC(=O)NNc2cccnn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 736704194 OFNKTTOFJZSYEL-UHFFFAOYSA-N 445.505 0.460 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 744383268 LMWSORILBONLHL-UHFFFAOYSA-N 430.530 0.904 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccccc1 744705098 IMHPCSIDIDQOHL-UHFFFAOYSA-N 430.442 0.183 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 750660831 WSALFRRYJWYJFC-AWEZNQCLSA-N 439.538 0.345 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C 756834386 GGCTYDDEQKPXFA-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)c1=O 757780937 NYPRGOCOUFAEGF-UHFFFAOYSA-N 429.458 0.908 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc(O)c3ccccc3n2)c1 758309629 VZMFTNAPMJYIMJ-UHFFFAOYSA-N 444.473 0.459 50 20 ICGD COC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 758516437 BPOFJHWFSHEEDJ-UHFFFAOYSA-N 435.296 0.678 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNc1nccc(N2CCOCC2)n1 762854651 DMFWDRLPUDWZMW-OAQYLSRUSA-N 437.460 0.150 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 763445115 FCFKUKIDZASMEO-UHFFFAOYSA-N 438.393 0.927 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)cc(OC)c1OC 763543230 MYJRBKKFCAHWLZ-UHFFFAOYSA-N 440.416 0.693 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 763597541 PBPATKDGUUGZPX-UHFFFAOYSA-N 444.492 0.568 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763675688 YSIHXXOPJKJSII-UHFFFAOYSA-N 444.469 0.576 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c(OC)c(OC)c1 763822048 VDDDIORFVDREKI-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763867198 STKOOYQYNYEZOI-SNVBAGLBSA-N 441.412 0.922 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2O)CC1 764275553 NHSCKXULPSPKFN-UHFFFAOYSA-N 430.465 0.410 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cccc1N1CCOC1=O 764278028 PDWVPPBISFLWKX-UHFFFAOYSA-N 428.401 0.822 50 20 ICGD COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425295 OLPIOSWTAVBXFH-GOSISDBHSA-N 440.412 0.860 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CN(C)CC(=O)NC(C)C)n[nH]2)cc1OC 765597016 QCIUFJILZKXBQI-UHFFFAOYSA-N 432.481 0.311 50 20 ICGD COCCN1C[C@H](C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1=O 768279447 OYWZITBZSSZQSL-CYBMUJFWSA-N 431.449 0.350 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@@H](C)O)cc1 770418020 RAKPNNQZANJDKW-FZKQIMNGSA-N 449.485 0.255 50 20 ICGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 778562566 LBQKHXZBGWIOQL-UHFFFAOYSA-N 437.478 0.645 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 778642123 LIWSDXBVDZMFPG-UHFFFAOYSA-N 435.529 0.449 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 778712482 OBBZIFXKTIJZOG-CZUORRHYSA-N 441.868 0.789 50 20 ICGD COc1cccc(C(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 782719691 WJUZACCOOMBPHD-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782896299 FGPODKUMFCHBSR-UHFFFAOYSA-N 447.448 0.531 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(Br)cc1Br 782967122 RNNSLTUPTWZKQZ-UHFFFAOYSA-N 448.071 0.576 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccnc(Br)c2)cc1-n1cnnn1 784836924 CIPRTDNRPBOCOB-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD CS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 792884332 XOTZCBJNTOLJRQ-UHFFFAOYSA-N 448.501 0.988 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1 794581302 KECKMGDABHPPCC-QMMMGPOBSA-N 442.313 0.137 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 794598292 DNEKYAYZYHFTDH-UHFFFAOYSA-N 425.394 0.760 50 20 ICGD Cc1cc2c(cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)OCO2 794863646 BRZHRWTVFADDPA-UHFFFAOYSA-N 441.487 0.597 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 795178055 VLSNEPPEIGFJTJ-UHFFFAOYSA-N 432.911 0.995 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 796246358 KHDJNLBQOCKPEE-UHFFFAOYSA-N 429.499 0.293 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799259279 XFEOYXZZRIEOFE-UHFFFAOYSA-N 428.287 0.813 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 804867597 VOAUISBFJAYQHO-LBPRGKRZSA-N 426.417 0.527 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 804868450 HTYYIPGLBIFPQG-OAHLLOKOSA-N 427.469 0.287 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(F)(F)F 806564632 SLRKCNVORJGRIH-CYBMUJFWSA-N 448.427 0.843 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)ccc1F 806980286 SIXRQJFGCYEMJV-UHFFFAOYSA-N 440.428 0.544 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1N1CCOC1=O 815752298 MTAPWGWENSXJJI-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 819657566 DOIVMFHCXKZIEO-KFWWJZLASA-N 436.509 0.956 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1OC 915109565 KWTGCJDKIVEFID-UHFFFAOYSA-N 436.490 0.961 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)ccc1OC(C)C 915110199 XBLBJZLHQYISFQ-UHFFFAOYSA-N 436.490 0.959 50 20 ICGD COc1cc(OC)cc([C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2nccn2C)c1 916229100 LZTGHKKPJKEPBD-APWZRJJASA-N 437.522 0.908 50 20 ICGD C[C@H]1CN([C@@H](CNC(=O)NNC(=O)C(=O)NC2CC2)c2c(F)cccc2Cl)CCO1 916429497 AMABBRIRFUWJGJ-NHYWBVRUSA-N 441.891 0.850 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 918100396 SVODJGXGUNMYRB-UHFFFAOYSA-N 443.478 0.554 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 933895904 URNGJPCJGMUJRY-UHFFFAOYSA-N 439.476 0.966 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F 1321372029 KTBUHVWNHSYABL-VIFPVBQESA-N 438.432 0.299 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)ncn1 1781325870 JMMXRXBLFPIPLG-XHDPSFHLSA-N 431.218 0.309 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](F)Br)C4)C3)(C1)C2 1781333681 IRXVIKQTQZYLCM-DHMPVRBDSA-N 433.274 0.850 50 20 ICGD Cc1cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2[nH]1 1782537794 ZGVGCGGQUMXDJC-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783355610 WEIISEMZYVIVEZ-YVEFUNNKSA-N 443.298 0.564 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557635 OSBABIMUJDSOMO-ORAYPTAESA-N 443.884 0.036 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnc(Cl)c3)[C@H]2C1 1785455002 SNSMJUTZGBUQAH-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1791254944 XGUDTPIZQBGVFC-ORWNZLQRSA-N 446.957 0.022 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)[C@H](O)CCl 1792984151 ZCIZGPUKAZQVQM-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1C 1795737203 CWGVHDFFVCDSST-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD CC1=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CCO1 1795948569 DPXWAGWLXHBVEJ-QRUVTEGNSA-N 429.477 0.404 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C)C2 1796441707 STCXZWZSFYLYQZ-OBAMXFLESA-N 439.476 0.122 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443968 SSCAZFBOKOMFSC-GLPAEGGISA-N 446.508 0.511 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890660 CWQGIYIKMFTXKS-FWKYCFCSSA-N 444.536 0.921 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797274768 ROCGVSRMJMHOMT-XGUBFFRZSA-N 445.944 0.433 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)cn2[nH]cnc(=O)c12 1798464858 VPWYCTHCKGZFAD-XOIINTDNSA-N 447.568 0.386 50 20 ICGD O=C(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)Nc1ccc(F)cc1 1799032404 OPKDWJPXEBXFBG-ABXQLRGKSA-N 427.860 0.344 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799346848 CLWZZRFKMLDUSP-GFQSEFKGSA-N 440.273 0.931 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347866 VURPPUCGHPIYAK-XCCSTKFXSA-N 433.278 0.423 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1800638924 DDBGESHNGYHHPZ-DTHBNOIPSA-N 427.242 0.860 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358700 FWBFKEWTTGPAOW-XJFOESAGSA-N 426.857 0.649 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1803696088 WTKQNYFUMLMFLH-CMKODMSKSA-N 440.972 0.782 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806697578 RGAFYQNTGDKUMS-LBPRGKRZSA-N 429.315 0.553 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364116 PCIMVMUSBVMXKE-DZLUEKEQSA-N 438.337 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccncn2)[C@@H]1c1cccnc1 1808513467 XFVAFUMQJMHJAT-BEFAXECRSA-N 446.471 0.504 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293690 GFSKFAVHPAXVHB-ZSZQSSIHSA-N 440.504 0.682 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1(O)CCC1 1814422745 RTTHRWYXPHWDSZ-KBXCAEBGSA-N 440.309 0.947 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)c1ccco1)CC2)c1ccc(B(O)O)cc1 1815335551 DYNFBBTYJNTPHC-GUYCJALGSA-N 441.274 0.375 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncs1)CC2)c1ccc(B(O)O)cc1 1815339789 OTVZQUYXBSQXMV-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD CC(C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350310 PFBBRHBTDUJSFH-CQSZACIVSA-N 431.323 0.864 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cnn2c1CCC2 1821450785 GMKIIRFHIBAKFD-IBGZPJMESA-N 448.292 0.852 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822658796 UAIRMIZVVOKFQP-LKGOPFMKSA-N 434.265 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccn(C)n1)CC2 1826085511 XVHIJUIZJZZHTO-GFCCVEGCSA-N 433.538 0.404 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1 1826357764 MQEMGTOZBHETHN-HUUCEWRRSA-N 431.375 0.984 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830538386 DYFYMXRFIUSCFS-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1830542787 DSLJIXAEVRHSJX-ZTFGCOKTSA-N 432.359 0.616 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719720 IOUDJQPLHJMRFF-FOIQADDNSA-N 448.944 0.555 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723946 AGEGFSYKYQSGHG-KZULUSFZSA-N 430.864 0.096 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736450 SLHVODGWKAMRMX-UTKZUKDTSA-N 449.891 0.610 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(=O)n2C)CC1 1831872406 UXLNEDMPOVRUDS-SFHVURJKSA-N 445.564 0.992 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1833824455 PAALNFVCPGYGRY-BBRMVZONSA-N 447.261 0.373 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845439 PYQUKLDCBAKUAI-WBMJQRKESA-N 430.303 0.059 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835711132 KUKVONYSQMFJKQ-RHSMWYFYSA-N 445.992 0.519 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837561576 VTCPROFGALFAMQ-SVYXSEEQSA-N 442.310 0.940 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837717987 VBHKNVIFRLUSMK-IBGZPJMESA-N 438.557 0.163 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354711 QLJPFVMQMMYBLA-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnn3ncccc23)C1 1843308502 BKMJOQKSWRDDOR-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1OC 12694187 SWQGPNHRQNUPEV-UHFFFAOYSA-N 426.429 0.948 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=S)NCCNS(C)(=O)=O 727068253 UGIYETZGTZPOJH-SECBINFHSA-N 439.357 0.261 50 20 ICGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)NC(C)=O 728269643 SMXFRSKQNZKOPN-DZGCQCFKSA-N 426.495 0.170 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)cc1OC 730036894 TWQAZJLSJYWMSM-UHFFFAOYSA-N 446.493 0.365 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 730324128 LRUFJQYJHXIMIK-ZDUSSCGKSA-N 438.462 0.847 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2c[nH]nc2C)cc1 732082831 ORPQXFSVAUACTC-QGZVFWFLSA-N 433.490 0.925 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O 732340215 PZBRDVKWMWEIAB-UHFFFAOYSA-N 431.788 0.850 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 732476758 VNPQOYRSLHOLQL-KRWDZBQOSA-N 429.477 0.283 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 735834631 XKMUNMRSOYJNNB-NRFANRHFSA-N 446.529 0.335 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H](C)CN2CCOCC2)nc1 739060200 ZXWFKFIWQJOUGI-OAHLLOKOSA-N 428.559 0.707 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742032817 AHTFTFPTBXCWTO-AWEZNQCLSA-N 437.522 0.547 50 20 ICGD CCn1c(NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742243056 CIFMNKIZSHRDDM-YBUXEROVSA-N 425.445 0.410 50 20 ICGD C=CCSCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745280953 FKUQBOPKYGTXEQ-UHFFFAOYSA-N 428.536 0.571 50 20 ICGD Cc1cc(C(=O)NNC(=O)Cc2cccnc2)cc(C(=O)NNC(=O)Cc2cccnc2)c1 753140616 PQLREIYNSCINCK-UHFFFAOYSA-N 446.467 0.792 50 20 ICGD CC(C)n1nccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755441160 IXNGLDUGYSYIOZ-UHFFFAOYSA-N 436.494 0.951 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(I)c1 760311228 MCNXWRPCICUCTB-MRVPVSSYSA-N 438.243 0.496 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1=CCCC1)c(=O)n2Cc1ccccc1 760341166 WYZMKEAVCAJSSI-UHFFFAOYSA-N 436.472 0.686 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 763550131 GXHJTSBZPMTSKN-UHFFFAOYSA-N 439.432 0.777 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 763680570 RFCUGIGMPQBWSR-UHFFFAOYSA-N 428.445 0.593 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 763996621 FIPVICBORRLKSN-AWEZNQCLSA-N 448.526 0.895 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 764002638 OXKVYTKDBLVKRL-LBPRGKRZSA-N 442.925 0.851 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 764081807 JWWOAOMCMBXICD-CQSZACIVSA-N 439.538 0.145 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1C 764259791 JLBRJJINKCXMBX-UHFFFAOYSA-N 440.460 0.574 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 765407833 BXWIQADBFIAYSR-TXEJJXNPSA-N 428.467 0.200 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C(C)C)no3)CC2)cc1 765727221 GJYJWCAENKGWDL-UHFFFAOYSA-N 449.533 0.874 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 766838187 MGXLBINSXISVIF-UHFFFAOYSA-N 429.565 0.705 50 20 ICGD C=CCNC(=S)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771243290 ANDSKXAJAXWNBG-INIZCTEOSA-N 440.323 0.897 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 778435835 MKMQDTRZNQBBMF-LBPRGKRZSA-N 434.449 0.483 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428857 YEYQWLWVOYAXQT-IBGZPJMESA-N 425.507 0.707 50 20 ICGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)c1ccc3ccccc3c1)C2 786114996 YEULNFGLYIMRFT-UHFFFAOYSA-N 437.460 0.156 50 20 ICGD Cn1cc(C(=O)NNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 789308530 DQWDOOYHPCZDPA-HNNXBMFYSA-N 432.456 0.221 50 20 ICGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)n1 793021902 OBGLOQFDOOYOJR-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1 799832358 XLKVGKAASZXONL-ARFHVFGLSA-N 428.599 0.871 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)n1 812618191 LROIEMAHJVZNGY-UHFFFAOYSA-N 437.478 0.493 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817055059 KELBDTIRCLGOEC-NSHDSACASA-N 432.549 0.809 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 864018282 YEXKSDSSHCARJO-YESZJQIVSA-N 444.513 0.991 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 914749335 OCGHDRKNKFSQPC-SNVBAGLBSA-N 435.428 0.460 50 20 ICGD CCOC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 915878930 WBAUDLJEBONIJD-UHFFFAOYSA-N 441.510 0.502 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1 916228197 XQDFUYRIWDACLI-UHFFFAOYSA-N 436.538 0.858 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 916383664 MONDEXMSHAFCMR-UHFFFAOYSA-N 428.511 0.852 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)c2ccccc2c1=O 916580252 JWBXZZLNLHBOIP-UHFFFAOYSA-N 438.510 0.203 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2)cc1 919687304 PRPIFAOIHFSZNY-SJORKVTESA-N 443.591 0.888 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)c2C1 1117727120 MHGQFIWBZGXWOA-CQSZACIVSA-N 434.522 0.589 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C[C@@H]2CCCO2)CC1 1251874345 LZFFQEZOYCQVKZ-HNNXBMFYSA-N 438.554 0.567 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccon1)C2 1778090994 BTGYZHDOTVHPPG-XGHYCODVSA-N 442.476 0.936 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779616773 BTFRJQOYPVKGQA-LJQANCHMSA-N 449.418 0.034 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1780902093 VIZAQJWJMOGJQG-GQWAEJPESA-N 441.887 0.374 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780902096 VIZAQJWJMOGJQG-ZSOFBXJNSA-N 441.887 0.374 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1O 1783783463 VCPZXSHYNDABRZ-DNUAJFIVSA-N 426.897 0.523 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)nc2N1 1784090643 JPNLCFUEMWRVQT-UGQVUOCMSA-N 436.896 0.159 50 20 ICGD CC[C@@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786970087 RXMYCVUTOQOUGE-HYWQPGETSA-N 432.525 0.098 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984229 RULDTNLXMAEJPS-VMXMFDLUSA-N 426.322 0.728 50 20 ICGD CC(C)Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n(C)n1 1787209544 WIJDWMWWNYYTDK-IKICRFKJSA-N 426.945 0.812 50 20 ICGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1OC 1789409741 ZANJHVYQYUYCPM-XPCVCDNBSA-N 427.885 0.292 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21)[C@@H](F)Br 1789926570 CGDBZTVKMNITOE-JUFZMCDQSA-N 431.262 0.526 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cscn1 1794795697 JAODXLHTIRQMSU-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CC[C@@H]2CCC(=O)N2C1 1796191755 VAWLOEHLOHQTST-FLNBYBTLSA-N 439.321 0.019 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1c(F)ccc(O)c1F 1796193256 YKDFLHGWPRYJPB-QDMKHBRRSA-N 430.216 0.916 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1796441243 NOHHWHUHHAAQOW-POKDIBPUSA-N 440.460 0.124 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443971 SSCAZFBOKOMFSC-YGADERNFSA-N 446.508 0.511 50 20 ICGD CC(C)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)C 1798439148 IGPXSUPCAWIRDR-RCJHGTSTSA-N 430.553 0.960 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799274252 TULNUGJHIPDDJS-YHYOWMERSA-N 427.350 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccccc1 1800927906 FDIGAYKLZCAXBG-XTCYKFNRSA-N 428.533 0.753 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012290 SWKSIXKMIUKOMQ-VPTLXERWSA-N 445.520 0.221 50 20 ICGD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801716393 YOZZCGMEPGYJKN-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803075894 ZHUYCWBZJDIFMR-YZGWKJHDSA-N 439.321 0.488 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1810095524 RIPXYXRSWNHGCL-KLZNWCGWSA-N 442.900 0.406 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1814095061 PXWDZSUUYMGTOC-FLVBGDDMSA-N 437.261 0.112 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335519 BXFSQOPNPJCCPU-AWEZNQCLSA-N 429.307 0.664 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NC=O)[nH]n1 1818113540 PNFGZVXMYAHDEI-HREMKEFQSA-N 442.480 0.670 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821659018 RKJZDCSCQJCJOC-HNNXBMFYSA-N 444.496 0.032 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1822184265 QYXDPCDCJVTSIG-NHCYSSNCSA-N 429.319 0.778 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824469136 QSSNMAWTZOULJE-SHQCLWGWSA-N 442.306 0.089 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1826089037 WJSVQRBRDUOIDI-LBPRGKRZSA-N 429.506 0.942 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1830219257 CAISIPIXIKPZGF-DNVCBOLYSA-N 447.315 0.989 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732133 RRFMBITYBPCCEC-YWZLYKJASA-N 449.895 0.141 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832630264 BMMXIXUOKVJZKY-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)no1 1832920916 HAEFZMCRUCWWIY-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1)[C@H](O)CCl 1833307871 BWGIRBKUZAHBLN-MRXNPFEDSA-N 443.907 0.567 50 20 ICGD Cc1ncoc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834260347 CYWDKGDSJBWHFC-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798068 QTUNMXLJWZTUGU-HXUWFJFHSA-N 449.788 0.959 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)ccn1 1837980910 OJPZBTKFFIBEQJ-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cc1C 1838153016 ZXGJPJIXHDWULD-KXBFYZLASA-N 428.917 0.535 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710370 CAVQHMHXXFXZEP-KEYYUXOJSA-N 444.330 0.469 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839901260 SXGGFLFQKIAONJ-MBSDFSHPSA-N 446.353 0.653 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cnn1C 1840031087 FKEJABFVYICTMN-SJKOYZFVSA-N 429.315 0.582 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840031633 XUTIFGMBJXXVNP-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840031929 GYCZCFOQYMSVAL-KBXCAEBGSA-N 442.310 0.088 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840035644 YTEUTQGMWZEARF-KZULUSFZSA-N 443.294 0.951 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840156011 HCCJEDIQZZTVGL-OXFYSEKESA-N 441.912 0.559 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1840182574 GFLZARUEBWGLGZ-LJQANCHMSA-N 432.949 0.081 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)C 1840188494 MSNSFHVBPLLYBH-SUMWQHHRSA-N 425.309 0.834 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H](O)C(C)(C)C)C1)NC(=O)NCc1ccccc1 1841315964 RJUICDPGBFHZSM-IBGZPJMESA-N 445.564 0.943 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010628 MJDJKGDONCSWFE-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843015185 RIASLPBVCPSKSZ-UHFFFAOYSA-N 436.273 0.213 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3cn[nH]c3cn2)C1 1844154002 DLILVJYBJRZAQN-DHRITJCHSA-N 434.460 0.909 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1844264082 CAMAZDUSNSXPFY-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)Cn3nc(C)cc3C)cc2[N+](=O)[O-])CC1 12666302 QPXBLYFMVKYVEZ-UHFFFAOYSA-N 443.464 0.538 50 20 ICGD O=C(COc1ccccc1OCC(F)(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 727673572 QWDRSCNGLPAUCP-SNVBAGLBSA-N 425.385 0.524 50 20 ICGD CN1CCC(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 728751926 FWAZVOXGAPZYKM-UHFFFAOYSA-N 439.586 0.376 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O 729617739 GGYAYEUEFABTAW-HUUCEWRRSA-N 428.493 0.785 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1O 730837409 YPJHWFHRFGPOLX-UHFFFAOYSA-N 425.438 0.816 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 731330388 OTYXKRPUEBDAHH-UHFFFAOYSA-N 427.479 0.912 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731985485 BXMFGRXGILQPPV-JTQLQIEISA-N 435.418 0.431 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)C1 732258672 FOHMGHRWXXLFBG-JTDSTZFVSA-N 445.520 0.831 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 732590631 SSTCERNVAYCRJW-GFCCVEGCSA-N 440.382 0.524 50 20 ICGD CCCCn1c(N)c(N(CC(=O)NNC(=O)C2CC2)Cc2ccccc2)c(O)nc1=O 733193199 IWXPPFGIKUEJJG-UHFFFAOYSA-N 428.493 0.895 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)c2cnn(-c3ccccc3)c2)ccc1Cl 733773814 DBDARDTVLNHPQI-UHFFFAOYSA-N 447.860 0.817 50 20 ICGD CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 734746118 OLYAEZMYCXAENA-CYBMUJFWSA-N 425.467 0.823 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)o1 742247312 XODNAJKDSMFFEM-WEBKGQRMSA-N 432.477 0.433 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1OC(C)C 742481555 ZFLPPYMUKPTXDP-OHDICMOHSA-N 445.472 0.796 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 745863752 WWZJZTUVPSKMTM-HNNXBMFYSA-N 429.525 0.244 50 20 ICGD CC(=O)N[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CCCC1 748611332 KLOQAQXXSIVVFX-IBGZPJMESA-N 437.566 0.761 50 20 ICGD CCCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748624516 XFRBWZFVDRBAMN-GOSISDBHSA-N 437.566 0.857 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 751283548 XLKTVBHFLVXNMW-UHFFFAOYSA-N 430.533 0.228 50 20 ICGD O=C(CN1CCc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 754342952 VIFQCADJWNULKO-UHFFFAOYSA-N 444.513 0.531 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCOCC1 755414485 WTIPFKNGMCXFNS-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CC(C)COc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756095403 CHVDYMGKSXNPHM-UHFFFAOYSA-N 443.464 0.321 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836423 VJMHHUOXSSBFDJ-UHFFFAOYSA-N 425.449 0.550 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 756866153 XLZHOHZQTOTDOM-ZIAGYGMSSA-N 427.461 0.831 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccnc2I)C[C@@H](C)O1 757715868 RHYUFKSDPGVDES-PHIMTYICSA-N 432.262 0.947 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc(OC)c1OC 762867198 HJVVKMBZVAPFKD-UHFFFAOYSA-N 446.464 0.212 50 20 ICGD Cc1c(C(=O)O)cccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 763278223 MNYLKULTNWDRJO-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)cc1 763737010 NPWJUKOKRXXGHE-UHFFFAOYSA-N 444.473 0.278 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)c2ccccc2c1=O 763785107 FGJHCBYMMSJNCD-UHFFFAOYSA-N 449.402 0.658 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764341607 HBBZBNPBJHWCBN-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 765586393 SKQTXOSVNVHXFN-UHFFFAOYSA-N 449.489 0.367 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(N2CCCC2)nc1 765731799 BTUMGQYMGQKWGB-UHFFFAOYSA-N 436.516 0.901 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1ncccn1 768243626 XHZZPGOFDWIPBE-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 771923942 ZMJNESXRYUJSGO-LLVKDONJSA-N 434.902 0.529 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)n1 773730781 KSOQIAIJRVHDAT-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD COc1ccnc(NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 776624429 NBBKJCFHBBNQLS-AWEZNQCLSA-N 436.494 0.158 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNc2ccccc2OC(F)(F)F)n1 778803888 RZTNBWPQSAPWAT-UHFFFAOYSA-N 435.384 0.908 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CSc1ccccc1O 780825254 OUUJKSIWPAMAHT-UHFFFAOYSA-N 445.544 0.744 50 20 ICGD O=C(NNC(=O)C1CCN(C2CC2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 780851565 RFERATBUHRMLNK-UHFFFAOYSA-N 436.534 0.343 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc21 782896288 DTWQVPQMPQFBED-UHFFFAOYSA-N 428.474 0.871 50 20 ICGD NC(=O)c1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 788264346 CZGWCKPAXRVNNN-UHFFFAOYSA-N 445.501 0.443 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCc3nc(O)c(C(N)=O)cc32)cc1 788964263 MBAODSYSWKDMTC-UHFFFAOYSA-N 445.501 0.672 50 20 ICGD CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 789758231 RJVVRYHLQIZEKL-AWEZNQCLSA-N 445.501 0.649 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CCCc4nn(C)cc43)CC2)cc1 794525384 YXPXXXNZUBSTBQ-UHFFFAOYSA-N 444.561 0.892 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 794579481 XWRMOLLHPANLEO-UHFFFAOYSA-N 441.531 0.854 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNc1ccc(-n2ccnc2)nn1 804957496 YEKDDQYAIXVYIH-UHFFFAOYSA-N 430.446 0.741 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccn1 806974527 LUFAUNLTBCXMEC-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])ccc1F 807068792 QAZGFMGOQVWSTM-UHFFFAOYSA-N 429.361 0.863 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1 808266013 GMRASDAURLFRFC-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 812429744 VIGXBUGYZXCGCV-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 812728205 IPJJERFAMHFCIQ-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729593 PYTIPLGRHUBAGG-KRWDZBQOSA-N 436.538 0.877 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cn(C)nc2C2CC2)cc1 812979712 DYSNGZAVUOGGMY-UHFFFAOYSA-N 448.505 0.013 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccnn2-c2ccncc2)cc1 813033936 RVPURKFFAZRKBR-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815567545 CNKIPDSPLVHDRA-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693034 JWKZLDXOWDHMCJ-ZDUSSCGKSA-N 430.465 0.814 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 916830654 NKXDDSYVOJXXKS-UHFFFAOYSA-N 446.485 0.652 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1O 919958758 ZMYCAMIRUWPMTI-UHFFFAOYSA-N 441.487 0.465 50 20 ICGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1OC 920586451 GZFCRLMOGHNBTO-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD Cn1nnc(Br)c1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1347356878 AFOJCMRWRWSZHO-UHFFFAOYSA-N 445.299 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1 1779030823 IMFWTYSHIHYPPA-YQTDCCHMSA-N 435.484 0.842 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC=CO1)C2 1779372219 COHILFSCZKUKRZ-JBYIUTFZSA-N 443.504 0.505 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cccc(-n2cncn2)c1 1781126726 CNISEEWTZUORFT-DBXWQHBBSA-N 447.923 0.995 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782658589 XGCVDEXQWLCJHC-VGSWGCGISA-N 431.537 0.463 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1783970517 UYNNNNFZSRUCIV-BLFANLJRSA-N 444.286 0.942 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784891272 AMJVEZBPQQNJST-SRVKXCTJSA-N 426.411 0.240 50 20 ICGD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786984807 LMNVIUHASSWQFR-BVSLBCMMSA-N 436.317 0.836 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1c[nH]c2ncccc12 1787876438 LRNIBAHXEQSIQV-YSSFQJQWSA-N 448.288 0.150 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788724733 PLAILITXMIDAKK-QMVSFRDZSA-N 432.294 0.584 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792868467 ZZZVWIJPLBUUHL-MMWGEVLESA-N 430.259 0.552 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1792871446 ZCBRRZZAVBFLMZ-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793071695 AOLRJYSQHLIDHW-XFIYOXNOSA-N 447.960 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@@H]1CCCCO1 1797800884 JNBGVNBAZTVRAG-HRYATBACSA-N 442.582 0.209 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888249 BNEWSKDUPQNCEZ-AYRXBEOTSA-N 439.310 0.783 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1803008458 KIAKBMYOBISVSF-UXIGCNINSA-N 425.331 0.601 50 20 ICGD CCOCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806505140 QHYQNDZXFIMTFE-DNVCBOLYSA-N 426.477 0.436 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364608 SVZVSLFFFMJCPC-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807373304 AYIOOWYAPSLGNF-KNQAVFIVSA-N 447.304 0.057 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808246804 PHVPUUGOYILAKR-UWJYYQICSA-N 433.277 0.047 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CCCN(C(=O)CCBr)C3)CC2)N1 1809066008 FBBQKDPAKDGLML-GFCCVEGCSA-N 429.315 0.601 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1c1cccnc1 1810295014 PEVSVFOMIAWWIV-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812407493 CIXRDRHZDGYZNK-GCJKJVERSA-N 441.536 0.666 50 20 ICGD O=C(Cc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814995588 KUHYZOYFQWEUBI-GOSISDBHSA-N 434.265 0.428 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnc1 1815003185 OHQJZCQKPDJCOL-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336006 WMNZZPNIOMLQJY-WFASDCNBSA-N 427.291 0.087 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnc1 1815350262 MXLGCRAVVLNMIU-WFASDCNBSA-N 439.306 0.506 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817474244 BJMABDVLOWFZOO-SZVBFZGTSA-N 440.309 0.947 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)no1 1819923825 CJZYRSCTVHEJCR-JOYOIKCWSA-N 441.897 0.381 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1 1822410733 RWUNVQWQDDXGJH-MRXNPFEDSA-N 429.481 0.722 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825447473 XYQPXHGXYVFBGZ-UTLUCORTSA-N 446.371 0.821 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)C(C)(C)C)CC2 1826082798 CZQAWJJTCAWRRA-BDJLRTHQSA-N 425.555 0.835 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1830545584 LEKLULIKTYCDKI-KEYYUXOJSA-N 444.330 0.327 50 20 ICGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccc(Cl)cc1 1830719961 POYLHOFRDIQRGD-DNVCBOLYSA-N 445.299 0.579 50 20 ICGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CCC1=O 1832380850 UYKIQJSLQLUNJY-MSOLQXFVSA-N 449.335 0.287 50 20 ICGD CCOC(CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)OCC 1833313126 WWWGDQQPZQZRGU-KRWDZBQOSA-N 433.977 0.947 50 20 ICGD CCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837544071 XEMQZDNRYSVKFA-UHFFFAOYSA-N 448.568 0.888 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404936 TXAZEFBRPGBLLG-FXAWDEMLSA-N 431.961 0.653 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199572 YBCCYDCJYVJUER-PVXIVEMSSA-N 438.294 0.048 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840032449 YZQRFWGQNZXJPT-ALKREAHSSA-N 441.322 0.960 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1Cl 1840151778 NHCQKFBYJSAAAD-XIKOKIGWSA-N 449.335 0.949 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1840788477 LZPFQQMWPNSOSA-OXJNMPFZSA-N 441.887 0.993 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842907870 CUYCLMVWMLYWSI-ZDUSSCGKSA-N 442.948 0.162 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccccn2)c1 17329199 BTSYCNJBFHZRJX-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1cccnc1 21197883 ZNOUBWCFFIKQKH-UHFFFAOYSA-N 446.529 0.815 50 20 ICGD CC(=O)Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728330659 QEHFNYUFUWDZED-KRWDZBQOSA-N 431.376 0.928 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 728828067 ISZUFFJNKGXKIF-UHFFFAOYSA-N 434.499 0.644 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 728869864 GRZROCZRHYSXDD-UHFFFAOYSA-N 444.469 0.849 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 730329635 AFBZTRKVGYJSBF-CQSZACIVSA-N 438.462 0.991 50 20 ICGD O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730511665 APQGJRWDBMFYGJ-UHFFFAOYSA-N 432.440 0.888 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c(C)n2n1 732259234 ASWBCRJQSAHEGC-TXEJJXNPSA-N 435.554 0.652 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 732259777 KATGISSFHLGRCE-IYBDPMFKSA-N 440.566 0.881 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 732260472 DSZOFQCYXLBWGS-JFIYKMOQSA-N 432.521 0.690 50 20 ICGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)CNC(=O)c1cccs1 732281946 HBEUMEAHWGJFDS-UHFFFAOYSA-N 429.502 0.783 50 20 ICGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 733361007 ZBIQYBRBPGXRPX-GFCCVEGCSA-N 447.355 0.559 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 734250765 IHIABZLZSCJSKL-IBGZPJMESA-N 437.522 0.927 50 20 ICGD COc1ccc(C=O)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 734417468 RVSGFLIWCXOPON-UHFFFAOYSA-N 435.458 0.598 50 20 ICGD Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 734417865 CVWAZKXVNQCXKU-UHFFFAOYSA-N 443.551 0.954 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 735191327 SVLWZGJKGLWOEP-UHFFFAOYSA-N 435.510 0.248 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)N(C)c2ccccc21 740704727 DSYCJNAXUYWISI-AWEZNQCLSA-N 431.518 0.937 50 20 ICGD CC(C)CC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741509916 ONDLYBGTPVZQQR-UHFFFAOYSA-N 440.522 0.021 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 744385572 WSHMGLPSFQFPQE-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 753292631 SJYVVBGBJWMCHO-LPHOPBHVSA-N 435.440 0.830 50 20 ICGD CCN1CCN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c2)CC1 755453273 JOEZLRYEJYZJBC-CQSZACIVSA-N 426.543 0.227 50 20 ICGD CC(C)(C)c1nc(CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)no1 755945767 CAPBEXXAZHWEFS-UHFFFAOYSA-N 425.493 0.818 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756029489 ATMGLIHYDIPQIA-UHFFFAOYSA-N 426.430 0.345 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 758148132 OQOOQFDGWZXCFQ-UHFFFAOYSA-N 428.492 0.354 50 20 ICGD CC(C)C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760067116 SOIBDQARCHJXTH-LLVKDONJSA-N 438.428 0.421 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3ccnn3)cc2)cc1 760265243 YLOXTDKRMRALJC-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD COc1ccc(NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)nc1 760537529 WMHSSLUAADUZRQ-INIZCTEOSA-N 435.506 0.763 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763571101 KKDQLCIFNFOAFL-INIZCTEOSA-N 433.442 0.157 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 763895792 GPHIUAUNMUSOKN-UHFFFAOYSA-N 441.513 0.809 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cccc21 763945509 YRWAKYFDIIMKAG-UHFFFAOYSA-N 436.384 0.423 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001921 GVUOZXFTDOOVPI-JTQLQIEISA-N 443.503 0.323 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 764002220 KHJUEBCRHJMKPA-AWEZNQCLSA-N 445.501 0.660 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 764034564 SFLLJHCLPVEDOO-UHFFFAOYSA-N 440.503 0.336 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 764035119 UECOLMQTFGAQDT-UHFFFAOYSA-N 446.485 0.558 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 764135986 KUYMERDTSQUASJ-UHFFFAOYSA-N 439.516 0.771 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 764225669 BYRKTTQVYWWMSR-OAHLLOKOSA-N 446.529 0.886 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)C1 764285358 BHEDOBUQNRKKIE-ZIAGYGMSSA-N 426.477 0.856 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764294441 ZLOKYYHIIDKJJF-UHFFFAOYSA-N 425.493 0.270 50 20 ICGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766659500 BRSZHKUMWVCMGH-NRFANRHFSA-N 435.956 0.864 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2CCc3ccccc32)CC1 766854953 WPGSMJAGTGXLOJ-UHFFFAOYSA-N 449.555 0.892 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771252200 QCPKOTVAZVZJMG-JOCHJYFZSA-N 440.456 0.861 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 773865773 KYLJMDHTDSHDQS-KOLCDFICSA-N 447.304 0.633 50 20 ICGD Cc1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1 776740175 YJELIHVJYCZSKX-UHFFFAOYSA-N 447.517 0.508 50 20 ICGD CC(C)(C)OCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 777878726 KILLJIGTMZPQAI-UHFFFAOYSA-N 427.523 0.603 50 20 ICGD CCN(CC)CCn1ccc2cc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)ccc21 782967576 UHHPQRAQAJHHSU-UHFFFAOYSA-N 428.493 0.348 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 793031918 XAXPCXRUCTWPFP-GFCCVEGCSA-N 430.433 0.365 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CC(=O)N4CCCC[C@H]34)CC2)cc1 799483705 RQDOBWQCKHTFFS-LJQANCHMSA-N 447.561 0.558 50 20 ICGD COC(=O)c1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(C)c1C 800805442 PDLXPFVTSKWXCS-UHFFFAOYSA-N 448.501 0.905 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)cc1 801105470 FMCCSTPLKWYCDX-OAQYLSRUSA-N 429.477 0.972 50 20 ICGD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 802566945 JFEHKDDQNOHGPX-LLVKDONJSA-N 437.453 0.220 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1OC 804892788 XPILUMLMZJSZPB-GFCCVEGCSA-N 442.416 0.470 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806568355 RFEBZNLXKRWXIL-LBPRGKRZSA-N 426.417 0.527 50 20 ICGD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779571 LMAMOYRFZYRLCR-SUMWQHHRSA-N 449.483 0.904 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 818580378 IBTVSLFDRBRIEI-NRFANRHFSA-N 443.435 0.861 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)CNc2ccccc2)CC1 823328087 CSUGJKBLVGZQRL-UHFFFAOYSA-N 435.506 0.952 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 863998614 JDLIPTYTMIYHRS-UHFFFAOYSA-N 428.357 0.426 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 912848232 ZLTOFZYONOHGSB-STQMWFEESA-N 435.506 0.224 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 913156778 STYXKYPLUGRATM-ZWNOBZJWSA-N 434.312 0.788 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 915832220 OQPUHFATUBQAJH-WCQYABFASA-N 445.444 0.475 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 916124786 MXWVHJCBOSDASN-UHFFFAOYSA-N 449.533 0.536 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1C 916562682 SBRJMSQRDUHRSZ-SZNDQCEHSA-N 429.477 0.890 50 20 ICGD CCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 917727285 CCKGNHZMSMQSIJ-UHFFFAOYSA-N 436.475 0.079 50 20 ICGD O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 919785693 HGHIOAQOYZPTCW-UHFFFAOYSA-N 449.880 0.734 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1cnn(C)c1)c(=O)n2Cc1ccccc1 920828176 VJPPYZWMDQNWNS-UHFFFAOYSA-N 448.487 0.702 50 20 ICGD O=C(NCc1cnn(CC(F)(F)F)c1)NNC(=O)c1csc(N2CCOCC2)n1 1319184383 VJVWDZZPOJUEKA-UHFFFAOYSA-N 433.416 0.883 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1)c1cccnc1 1778023863 GUZKUZONYMLCPX-SIXWZSSISA-N 426.876 0.860 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1779029170 TXRVOVZTTSDOPT-JOCHJYFZSA-N 438.488 0.156 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111645 OIEHFHHHIPWQTH-CRAIPNDOSA-N 443.386 0.380 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781777457 RSUVSDIIWQVNES-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1781804682 LJUPEAOWYJVHRX-VQIMIIECSA-N 440.227 0.612 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1783312912 YJIJZKDTQCEVAB-UUOWRZLLSA-N 436.317 0.922 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1784064375 AJDXOBZZDFQHSA-JEBQAFNWSA-N 425.848 0.053 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584270 FXGVIQAIIKAMLS-XQLPTFJDSA-N 441.326 0.397 50 20 ICGD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C#N)=C/c3ccc(F)cc3F)[C@H]2C1 1790693544 ILIVOSNJBXWVAV-MEFGBEIZSA-N 446.454 0.988 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790948540 BYVVWGQMOYUNSR-ZULIPRJHSA-N 446.548 0.807 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CNC(=O)OC(C)(C)C 1792993573 CGBXWOIXPKVTAV-IBEHDNSVSA-N 447.960 0.991 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1793446446 CQYVDEVAQWFBHI-KYTCRMMBSA-N 430.958 0.786 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2)c1ccc(B(O)O)cc1 1795736724 GWOXEWCPUHPVRC-UDKICSLYSA-N 434.301 0.300 50 20 ICGD NC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1796124875 QZXQKAPCECMLTB-ZMMAXQRCSA-N 436.516 0.679 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796189666 NCDLHFHXVTZSGN-ZVZCOSHISA-N 428.294 0.208 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796353745 QLNSZYQYHVENLK-ORXSELOVSA-N 429.271 0.122 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1799264895 SCOJIINQNXZZMD-XLWJZTARSA-N 433.933 0.479 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)[C@H](F)Br 1799349343 XEKCZRKCLGDXIM-QCMRWSPLSA-N 444.286 0.980 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800759079 FWOGWRXXTCDVSF-SDNRWEOFSA-N 431.205 0.465 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1800983344 YZHSKJCWKIYCOC-ZMMAXQRCSA-N 437.924 0.650 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801300772 OLMDVDAKZAAJES-LSCVPOLPSA-N 432.344 0.660 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805270500 KVNVHWJYSHLMPA-YWZLYKJASA-N 441.492 0.270 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366601 ZXTKNJRDPFWYOP-OFNKIYASSA-N 444.300 0.719 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369472 KYDKFWNEYSZELQ-RXVVDRJESA-N 448.288 1.000 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295631 UONVIJDWWCORRV-UZLBHIALSA-N 440.504 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1813074934 XEWIMWAWORBWGI-KSSFIOAISA-N 429.481 0.203 50 20 ICGD Cc1ccn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815350335 QNHTXJJCKGLECB-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CC2)c1cccc(B(O)O)c1 1815359769 DGINNXSHQBKUET-DLTLXFJOSA-N 441.343 0.924 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1827060155 QAGRYDIMUNZPRJ-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060660 WHLJCSATOVKYRS-WOJBJXKFSA-N 448.394 0.714 50 20 ICGD N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548010 CJXBGTYKOMFRPN-LAUBAEHRSA-N 448.907 0.952 50 20 ICGD O=C(CSc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723828 QWHUMZIGBRBOFQ-QFBILLFUSA-N 428.938 0.835 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832999716 ZCPZRVWLDCXIRT-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1834158710 QZQUSIJSGVXASS-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836045861 UCKJYWSJXAJARM-WBMJQRKESA-N 432.340 0.925 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055527 PEKXTKCQTOYTOB-RDTXWAMCSA-N 443.342 0.450 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419358 DOUBTIDXTOMSDJ-DIFFPNOSSA-N 444.282 0.346 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720124 JQRYUHIEWSGSKU-ZDUSSCGKSA-N 443.850 0.263 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837711593 LNXKSJMGXGPXFV-INIZCTEOSA-N 438.500 0.404 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839548 MGLCYWLETQTFGB-MEDUHNTESA-N 447.717 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1 1838732541 FLTQRQLCWKRIFF-UHFFFAOYSA-N 434.541 0.324 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839201088 VWZGMTZEINBPPS-RHSMWYFYSA-N 447.305 0.743 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839965811 LYCOQQVERQDSDG-QGTPRVQTSA-N 432.359 0.758 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036796 RFGJRBKDDOMSGM-TYNCELHUSA-N 427.723 0.480 50 20 ICGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1)N(CC)CC 1840150307 IBQHHLXRWSMCED-QKLQHJQFSA-N 433.977 0.817 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840151791 NPDKGRYSXFSCHN-BEFAXECRSA-N 428.917 0.535 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 15719948 WMCBIQRIPFNLBF-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 725870496 IHOWOCZMDMUOGW-UHFFFAOYSA-N 447.879 0.791 50 20 ICGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)no1 728846371 YMJYKIKUOSYAPU-CYBMUJFWSA-N 447.521 0.897 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 730096330 OKZVFUVBOMWWNM-UHFFFAOYSA-N 435.444 0.129 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NNC(=O)c1cccs1 733559438 SULVRCFLADLEND-JTQLQIEISA-N 436.402 0.858 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3c(s2)CCOC3)CC1 735117064 NHURCECFKFGIRY-UHFFFAOYSA-N 437.547 0.909 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C(=O)C1 741175260 FGXSNUVHCPWJHL-UHFFFAOYSA-N 434.449 0.298 50 20 ICGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 741409282 AWIJNNAOTBAQBO-NDEPHWFRSA-N 444.579 0.962 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1 742034333 XUMFHBBMBFDGKV-UHFFFAOYSA-N 437.449 0.528 50 20 ICGD COc1ccnc(NNC(=O)C(F)(F)C(F)(F)C(=O)NNc2nccc(OC)n2)n1 742528761 AZFJTTPVJCZAFK-UHFFFAOYSA-N 434.310 0.141 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)c1 744733999 BAXAAFMTHJQUJX-AWEZNQCLSA-N 449.485 0.272 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccnc(F)c1 748699538 PIKDSJCTXVUEBD-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCSCC1 750827992 HOZHIBLYWZNWDZ-AWEZNQCLSA-N 426.564 0.669 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1nnnc1C(C)(C)C 754986708 RPFPBSFQMRDTGA-BXUZGUMPSA-N 432.437 0.062 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)COc3ccc(Cl)cc3)cnc2n(C)c1=O 755848534 MKNUEVRNJXVHAB-UHFFFAOYSA-N 432.824 0.517 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 758840957 VAJMLEVUJBWRIB-JHJVBQTASA-N 433.490 0.074 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c1 759517190 UMONXSWLNZBUFK-UHFFFAOYSA-N 429.543 0.660 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cnn1CCO[C@@H]1CCCCO1 760119196 BSGGQGVZQJFUBD-TWOQFEAHSA-N 437.541 0.995 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 763685863 YQNDLTSXZKLNJE-MRXNPFEDSA-N 447.831 0.833 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1 764161742 UQMFVLGLAFLCQJ-UHFFFAOYSA-N 441.473 0.939 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br 764278651 VFBUILHANXNSOH-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD Cc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Br 764812757 RGJROWFZQYINPM-UHFFFAOYSA-N 433.266 0.655 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 765319545 GCQCJFALFWWHDR-UHFFFAOYSA-N 434.559 0.937 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 769769543 NLDXIWYRDKTBEQ-CHWSQXEVSA-N 446.620 0.956 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 770542126 BQYBDESLWNOLGL-AWEZNQCLSA-N 439.538 0.763 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc(C(F)(F)F)nc2)CC1 779380552 VOMNJYXDUMENPR-UHFFFAOYSA-N 445.427 0.583 50 20 ICGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783425787 DJXWXUYQZFECJT-GOSISDBHSA-N 426.564 0.685 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 786675197 GMZNWNYHWHERQZ-SKTWIKFTSA-N 425.441 0.900 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc(N2CCN(C(C)C)CC2)c1 792265547 FCJBGLVGZYWDGZ-GOSISDBHSA-N 433.509 0.027 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCN(C)C(C)(C)C1 799353228 FMNKBAOZPXMBBC-UHFFFAOYSA-N 439.586 0.258 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800625313 NJLHVRSGANRZOH-NSHDSACASA-N 425.747 0.782 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 805833778 AGLCSKWVSBHDII-ZDUSSCGKSA-N 447.539 0.240 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 813033673 FWPYVCQDIDLRGR-UHFFFAOYSA-N 447.452 0.739 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)CC)CC1 916260072 PLWPYTWTQWBDTL-UHFFFAOYSA-N 428.511 0.609 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 916830570 HYOKBKVRVHERHL-UHFFFAOYSA-N 446.485 0.652 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccc(Cl)nc1 918599373 ALKRUUHYIKNFNL-UHFFFAOYSA-N 444.922 0.821 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)CN1CCCC1=O 920827060 RDIACOABVHMWIM-OAHLLOKOSA-N 442.563 0.165 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccccc1CN1C(=O)CNC1=O 920932146 VNQJHQDTOPEICR-UHFFFAOYSA-N 435.404 0.181 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778584587 BFPZTZLNDBNGQW-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCO2)C1 1779034534 QTCZJNGPRNOKRN-XPGVTRPJSA-N 441.532 0.955 50 20 ICGD CCc1cnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1779308204 UJGHRVUJTXENJU-HXUWFJFHSA-N 444.517 0.461 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780828884 UEZJRKRJNXZLIO-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781097469 BZIDSFYTSIKSIE-GJYPPUQNSA-N 445.402 0.626 50 20 ICGD O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1782452038 OYGGSLYSRSTBTB-IVMMDQJWSA-N 432.294 0.873 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1783354060 MTILMEDLUGAVAC-SUMWQHHRSA-N 427.299 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1783935883 ZBHOVVBMZXEDGT-NRFANRHFSA-N 429.477 0.644 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784334706 UVZVQCNXBAXJOZ-NBSPSWBDSA-N 445.520 0.715 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CBr)C[C@@H]32)o1 1787026879 WRBCNBKTHGYOKR-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(C#N)c1 1789839776 GYPYJVBAKLPCSC-FZDIXFNVSA-N 435.908 0.689 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21)[C@H](F)Br 1789922405 FFVXWNFPMRBWTM-ASXGKARISA-N 433.234 0.172 50 20 ICGD COc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290892 CAEAXHMAMVBQSS-DZKIICNBSA-N 438.550 0.723 50 20 ICGD COc1ccc([C@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1792789303 ZNCIERDTSCNRPN-JTJHWIPRSA-N 438.289 0.360 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(F)(F)CC1 1793161460 PUQDQGLUYVLCOH-JLVBRIDZSA-N 430.496 0.775 50 20 ICGD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C#N)=C/c2ccc(F)cc2F)C3)n1 1794593397 UEWYXIWHOCTABG-OXISGRLHSA-N 442.426 0.904 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C1CCC2(CC1)OCCO2 1796189982 GGNUDFZXGFMQQP-ACDBMABISA-N 442.321 0.552 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307132 HEFLODGBDLQVJW-ZCURGHERSA-N 431.356 0.386 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C(F)(F)F 1798113710 VPTPJUBGSQYALW-LFSVMHDDSA-N 438.834 0.896 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2 1800974167 NVYIBTHMLNRAFE-RCJHGTSTSA-N 441.981 0.950 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1800976844 KVNKJWGZDFHDNK-JLUCKKNBSA-N 435.864 0.278 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805650626 FEWXFJDUPVPNPF-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD CC[C@H](NC)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807343420 DRUFRSRNAQATRN-SNRMKQJTSA-N 439.520 0.398 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369478 LMHYORKPDNXMBH-DYESRHJHSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373736 FKSMKXPTXPJVDP-YTQUADARSA-N 445.712 0.335 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1812778253 ITYWRDUHENQPBG-VNHYZAJKSA-N 426.315 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncc(O)c1 1812909173 VJRUTMQLKIKFBB-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1813074933 XEWIMWAWORBWGI-KDOFPFPSSA-N 429.481 0.203 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873238 TYQPWVCFVXKGGI-CWRNSKLLSA-N 426.949 0.637 50 20 ICGD Cc1nccn1CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359966 HDDKMZAITUJPSR-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccnc2)n[nH]1 1816546522 RJEGFEYTCZMFEU-INIZCTEOSA-N 437.464 0.611 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2csnn2)[nH]n1)c1ccc(B(O)O)cc1 1817470096 IHRNJSUEIXPCBK-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822368947 MPIHWXUCPGUOBW-CMPLNLGQSA-N 437.821 0.380 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1 1822410349 HTJQEPRHSGIZBG-CQSZACIVSA-N 445.480 0.488 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1 1822412844 HUYOPPBBFQGJRR-OAHLLOKOSA-N 433.513 0.397 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n(C)n2)CC1 1825460124 GPXHOMPWLIVSQM-KRWDZBQOSA-N 434.541 0.732 50 20 ICGD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@@H](O)CCl)CC4)(C1)C2 1825549016 XMMSTDCUCCYGMA-DXENFRBZSA-N 427.910 0.998 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826080704 UPPDIHBJDAAOTN-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054865 NJGXVAMUSARACZ-HXUWFJFHSA-N 432.326 0.263 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056334 XFKAIYYVONUOGV-OXJNMPFZSA-N 443.353 0.514 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1 1830219564 WYEUYRLGALLWHI-FCEWJHQRSA-N 430.860 0.719 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830537992 SYUCNWYXNITPJN-PBHICJAKSA-N 429.315 0.371 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728402 SVYHFZYKJXBQKV-AUUYWEPGSA-N 429.901 0.605 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733451 MSMMKROENROKBB-PXNSSMCTSA-N 426.897 0.755 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1834121935 PWLIYZLQLZHWSM-CZUORRHYSA-N 433.278 0.489 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1834421212 RKANBSVJXPNQFQ-UHFFFAOYSA-N 443.386 0.965 50 20 ICGD CCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798832 CYXIFOIOJBNWQT-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2n(n1)CCCO2 1835567623 PPLGDDNKEUTPQQ-KRWDZBQOSA-N 439.944 0.451 50 20 ICGD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cs1 1835797379 NECSHGBJULJNEU-IINYFYTJSA-N 437.291 0.486 50 20 ICGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCCC1 1835925930 BEZFLXWOMVLDJP-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837672566 NZLMNTFZILQBLD-RDTXWAMCSA-N 448.358 0.533 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838216867 NAQJSMKYGYPQAM-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155487 VIWAIAGYVIAAJM-CVEARBPZSA-N 426.297 0.035 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203079 ZBNJJETUJASYER-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1839762224 CURXDEGTEPUMNP-CXAGYDPISA-N 447.326 0.570 50 20 ICGD C/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839819503 ZMFILKKSCYPSRY-LBIGHZLJSA-N 431.493 0.543 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1839963670 RJBUQMDWGSXOOP-SUMWQHHRSA-N 435.315 0.570 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1839966583 JYLYASSBELQSGP-GBBNAMRBSA-N 446.342 0.656 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840032090 NQIAVNBPTLMCLY-BONVTDFDSA-N 433.328 0.579 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1 1840034262 GKPUFNGCIYCSQA-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1840154517 YDZHCWLBYDANSE-BEFAXECRSA-N 429.876 0.853 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1840156716 XUFISWKEUUVVNS-XLIONFOSSA-N 442.944 0.682 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842279820 CVELAIZHRQFGRD-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c(C)nc3ncccn13)C2 1843416012 OAOCEILTAFNVEW-CVKSISIWSA-N 448.487 0.989 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846806294 GGMPUJUGTCZIAV-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1847854730 TXIYLCDFYUUJSW-XUXIUFHCSA-N 430.933 0.832 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1 10761594 IIFBUERVUIMYGJ-UHFFFAOYSA-N 448.453 0.626 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 14057420 YJTCOAZHAIEIRS-CYBMUJFWSA-N 439.519 0.559 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710904 YEOIJVWEIUMTMF-UHFFFAOYSA-N 445.455 0.064 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)COc1ccccc1O 730779958 GWUFADREXWNWJG-UHFFFAOYSA-N 429.401 0.565 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1C(=O)CCC1=O 733799805 HCJRFTRRIGPDBO-SNVBAGLBSA-N 427.255 0.696 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C 736753933 LEWUQWSIGMCEPT-UHFFFAOYSA-N 431.536 0.595 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(Br)s1 742479794 FXUPSFVCHBRMED-XWTBWJTNSA-N 428.264 0.434 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1cccc(Br)c1 742769051 JRMQIQZCBYYCEX-UHFFFAOYSA-N 446.055 0.935 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)COCC(F)(F)F)cc1 743341613 PJQFBFSNDZZGHS-GFCCVEGCSA-N 440.444 0.913 50 20 ICGD CCc1nncn1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745913043 ZOVROGIYCKJDBE-UHFFFAOYSA-N 435.510 0.269 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 746096762 MDDPBCPESKNWJB-ZDUSSCGKSA-N 442.436 0.535 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3nc(-c4ccccc4)no3)CC2=O)c1 746242217 ROUWWNBORULZLH-ZDUSSCGKSA-N 442.457 0.880 50 20 ICGD COc1cc(C(C)=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1S(=O)(=O)C(F)F 747049382 OJLMTQBUCOHRMR-LLVKDONJSA-N 439.462 0.902 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748610145 DBXUBHPMJYUHCJ-ZPTNNJSTSA-N 443.428 0.677 50 20 ICGD Cc1nc(SCCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n[nH]1 748619577 LAQWSCBFDAJFCB-UHFFFAOYSA-N 439.567 0.675 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@]1(N(C)C)CCSC1 748647512 OLICKLHEVHWLBE-KRWDZBQOSA-N 428.584 0.669 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 749450299 RJXTWLFCQHGGOX-QGZVFWFLSA-N 447.451 0.316 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCNC(=O)C2CCCCC2)cc1 751289178 ALDOAMMHXRKFBJ-UHFFFAOYSA-N 438.550 0.850 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 755269253 WRDVFLJWMXYAIV-NSHDSACASA-N 446.323 0.629 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)n[nH]1 755453428 KXOHWZVIZDGWFA-UHFFFAOYSA-N 429.481 0.858 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 755938954 ZCISKLXCKJUHHL-CQSZACIVSA-N 444.473 0.132 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 756671494 FPBKYANQAOPHQS-LBPRGKRZSA-N 446.526 0.976 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 756760738 NJUCZVPVQVGIQB-UHFFFAOYSA-N 427.508 0.881 50 20 ICGD CCn1cc([N+](=O)[O-])c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 756862459 QHUDZNSKSQZQNJ-UHFFFAOYSA-N 429.437 0.030 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)c1=O 757780354 GLUNHAVWQRTNJE-UHFFFAOYSA-N 426.882 0.942 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 760337955 DKQDHNWICOYMPG-UHFFFAOYSA-N 430.435 0.624 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1C 760508402 BDMBYPLNTODIGL-UHFFFAOYSA-N 443.507 0.118 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 763818672 NINBVJISDYBOHK-MRXNPFEDSA-N 427.436 0.650 50 20 ICGD CCOc1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c([N+](=O)[O-])cc1OCC 763880590 IDBVWPWHASGHRE-UHFFFAOYSA-N 448.436 0.992 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccnn1Cc1ccccc1 763917073 ORTAMQPQWHJHIV-UHFFFAOYSA-N 431.416 0.307 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003181 BOKQTPAPTIKPSI-UHFFFAOYSA-N 442.428 0.372 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1 764037881 WOJKBEXDGPMEHM-UHFFFAOYSA-N 430.364 0.753 50 20 ICGD COCCOC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764152482 DSPIXLMDCNVOAK-KRWDZBQOSA-N 442.428 0.971 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764268816 QOTFJRONJZRJRC-UHFFFAOYSA-N 435.234 0.944 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(-c3cccs3)n2)n(C)c1=O 765730578 MBBOKCNGTPKQMU-UHFFFAOYSA-N 445.486 0.080 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc(F)ccc1Br 766863221 XPIRJDODQSWQII-UHFFFAOYSA-N 447.261 0.990 50 20 ICGD COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 767099275 WPVOBXVEEJPFBY-UHFFFAOYSA-N 430.914 0.212 50 20 ICGD CC(C)(C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 770640946 QDCOWAQXUYBAHG-UHFFFAOYSA-N 434.408 0.937 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)nc21 770973670 OORSRQOQQVGFHK-CQSZACIVSA-N 431.478 0.755 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 771823109 FYBRMQFBUCHUOT-JTQLQIEISA-N 432.462 0.040 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3nc(C)cc(C)n3)cc2)CC1 773478878 DWCGZYNDCGKFGO-UHFFFAOYSA-N 425.493 0.953 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNc2ncccn2)c1 773720113 UIGHPXXTJKSRIE-UHFFFAOYSA-N 435.510 0.655 50 20 ICGD O=C(CCc1nc(-c2ccccn2)no1)N1CCN(S(=O)(=O)CBr)CC1 777778136 YGBQHFLJEMABGK-UHFFFAOYSA-N 444.311 0.891 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccccc2c1=O 781929423 IJIIDNYLTAGHTC-INIZCTEOSA-N 436.384 0.796 50 20 ICGD O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1 785724888 ITKUQIFGAUHCIN-YOEHRIQHSA-N 434.832 0.774 50 20 ICGD O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NNC(=O)CN1CCCC1=O 789857924 MCSLYUJGKSKTJI-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)nc21 792181062 WDOGBWDPJRHDKJ-OAHLLOKOSA-N 427.343 0.144 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc(OC)c1OC 794578092 FIDQCWWRIVHQQA-UHFFFAOYSA-N 445.475 0.134 50 20 ICGD C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 795553314 WELPYXLFVFXJLK-NSHDSACASA-N 433.446 0.454 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 795832878 GTCCNSZKKSVQCK-GOSISDBHSA-N 441.362 0.623 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c1C 796992965 YJQTVARLTDMQEI-UHFFFAOYSA-N 445.476 0.827 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 797369406 VDQONONVZTWVPR-UHFFFAOYSA-N 439.428 0.436 50 20 ICGD CC(C)c1c(Cl)ncnc1NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 798141840 HOJQIGWEJWHPLD-SNVBAGLBSA-N 428.902 0.862 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806798701 ZJSXTKUWTVKYMM-YFKPBYRVSA-N 448.221 0.953 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1c[nH]c(C(=O)O)c1 814709670 DUVYLOGBYJLGAU-UHFFFAOYSA-N 434.474 0.817 50 20 ICGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 815567015 MGDROYRPUOARKR-UHFFFAOYSA-N 431.449 0.609 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 815691757 AIZCUVNVAKSWGG-SNVBAGLBSA-N 426.355 0.568 50 20 ICGD CSC[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 859448656 QTRYBGXIHPNYIY-ZJOBFFGXSA-N 447.513 0.881 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 906377377 IHAWVUHCGHPMSJ-UHFFFAOYSA-N 429.476 0.235 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914459175 JCFXXZQXCCKWFC-INIZCTEOSA-N 435.433 0.867 50 20 ICGD COC(=O)N1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 920051660 OCNFWWBPRWVBJJ-UHFFFAOYSA-N 441.510 0.177 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc2c1=O 920928642 XXWHVOBVCZNECJ-UHFFFAOYSA-N 449.427 0.452 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2cncn2-c2ccccc2)=NN1c1ccc(F)cc1 1115833598 QZEJLQRCKRINCQ-KRWDZBQOSA-N 435.419 0.893 50 20 ICGD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C 1339128148 LNYNNRVJVDKHFO-ILTCNKJVSA-N 449.529 0.990 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1cccs1 1779033716 CDEFMJFQTRVKEN-QKKBWIMNSA-N 443.529 0.994 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)cc1 1780415195 ZSPQSRSWABBLAX-NFBKMPQASA-N 440.280 0.947 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333510 IBSZVSOZJMDVBP-GDBMZVCRSA-N 431.262 0.635 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1C)C2 1782003723 VEPJUDLJGWTQPB-KYZVSKTDSA-N 430.343 0.905 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782167367 MIJFUFUCBVMYGX-XWCIJXRUSA-N 431.946 0.961 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1784278736 RHNJDPNBCAUGPF-JOCHJYFZSA-N 431.537 0.562 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784582313 JCYSVFXPYNXIIV-AOMKIAJQSA-N 426.278 0.282 50 20 ICGD O=C(CCc1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785348665 YVWDZAJOFAVRKK-VDGAXYAQSA-N 426.278 0.186 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785847744 GRZXLPCCSVPNNI-FMSGJZPZSA-N 427.299 0.949 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1785982675 DJSVYITZXILKBI-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984032 KNQGUZHVKPDOBL-SNRMKQJTSA-N 441.268 0.116 50 20 ICGD CCCc1onc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787655423 UYMUZAATYWJGOZ-BQFCYCMXSA-N 449.552 0.902 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1)N1CCN(C)CC1 1789872854 YLAUORQOWUYSAD-WDHIOAMHSA-N 449.423 0.838 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791057865 RBSAXMBVZZUFMO-UKJIMTQDSA-N 428.283 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1791255549 UJDFRRBHVZDJRQ-VIQHNZTISA-N 425.913 0.643 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115676 SNAFAIKIKSNUHW-CRWXNKLISA-N 426.926 0.129 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(B(O)O)cc1 1793493380 LLQUGEFEDQFGCO-IIZPIQPGSA-N 447.300 0.811 50 20 ICGD O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797655394 RWDDLVPIZJWOML-BKFJMODKSA-N 435.168 0.372 50 20 ICGD CCCNC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439706 ZQWHQNQHTNOHQP-QDMKHBRRSA-N 430.509 0.243 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1799276873 MQQKNAXPEWRYSY-IMEWIIRVSA-N 429.304 0.620 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1799856566 PSCYGODWUQGKIS-OXUXUCFPSA-N 448.900 0.032 50 20 ICGD Cc1ncc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)s1 1801493984 JCSYPLJMAQKFKS-QKBRYTTJSA-N 435.550 0.427 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803135944 LOEINGGIKNLNAE-MIGQKNRLSA-N 431.942 0.368 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805553189 UJPQCGNCMQUAHS-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@H]1c1cccnc1)C(=O)O 1806340626 IFYSVVJEKREUQW-JJRVBVJISA-N 441.326 0.935 50 20 ICGD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)on1 1806770180 VEMSJOFTNJFHKB-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369266 DIVWEABUEYKNRN-DYESRHJHSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813577212 PUEVZJXRWBYFTD-ZOBUZTSGSA-N 431.942 0.776 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1816781121 DTUWNDWHJMGAGS-MNOVXSKESA-N 441.286 0.785 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1CCOCC1 1817010178 UCYSJSUBPZTIRE-GOSISDBHSA-N 426.282 0.822 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817470470 RUMSOOBHSZPTQN-SFHVURJKSA-N 425.298 0.491 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473993 JRYQPMVBIZBUOJ-RDTXWAMCSA-N 426.282 0.987 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@@H](F)Cl 1818036735 ZXSPSPNNZPSWOR-IUODEOHRSA-N 435.909 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncccn1)CC2 1819794681 BGHGAIWYVODMEY-JTQLQIEISA-N 438.473 0.471 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)no1 1820742283 RMLPIHAUJSPMSJ-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1)C(=O)C(=O)O 1821716113 YWDHEWGNWXJMQP-SKDRFNHKSA-N 448.249 0.635 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823013744 IIKMZFCAKOSFEG-FUXBKTLASA-N 445.270 0.671 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1 1825641482 KVEBAGHBKQGCLE-UVPNAGLESA-N 449.327 0.903 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826136410 KZXRUHVEUSGRCA-DGCLKSJQSA-N 443.595 0.542 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829091469 VAUGIYRKVLCECR-OXJNMPFZSA-N 441.337 0.290 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1830533249 IQPAGVFPVLONMW-HNAYVOBHSA-N 446.386 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830533653 RDBNCIIQBVDHJU-TYNCELHUSA-N 427.723 0.074 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1830537638 LQOYUSYWLASLNZ-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830617795 VMUVZZYBKYKWEU-GLJUWKHASA-N 435.359 0.881 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830638418 PWCOZHXXLCYXTE-HSZRJFAPSA-N 442.321 0.205 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722588 FFVPRWGDPOAVGM-APWZRJJASA-N 431.316 0.939 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1831458071 TYSUJDLLIYRQEH-LJQANCHMSA-N 442.321 0.553 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831657633 PSNBDESFNRANGO-DNVCBOLYSA-N 426.901 0.719 50 20 ICGD CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1831871666 WKCRDJSQBOULEH-IRXDYDNUSA-N 439.557 0.042 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833196227 OFMGPUMUSQWTCG-YJBOKZPZSA-N 443.342 0.761 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834825269 WGSJIPKEVPIIAC-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921625 SFXTWQAUDJTHRY-QGZVFWFLSA-N 445.369 0.319 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839150957 CVUXFQXLWPYKSF-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201047 VDVMJTUFCKXCFD-CJNGLKHVSA-N 433.278 0.787 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839637898 XCVIGSQZTKREGE-HDMKZQKVSA-N 434.375 0.814 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839963339 IELZKEAEAXSPEP-QAPCUYQASA-N 443.342 0.972 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1840151782 NHTFZKNPDWVOAK-WFXMLNOXSA-N 439.940 0.439 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1 1840153937 GFVXUPKNVMFDGU-BEFAXECRSA-N 429.901 0.485 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1840155663 GINVGVFRZSOYSF-OXQOHEQNSA-N 448.944 0.820 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840156186 JTUGPTDOWIZGPI-APWZRJJASA-N 427.885 0.040 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840156665 SAVMCAICADPRPZ-OXQOHEQNSA-N 444.887 0.642 50 20 ICGD O=C(COc1cccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840410465 GRUGANLQGFRWQF-HOCLYGCPSA-N 447.261 0.002 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)C2 1843416222 MNKRUEPXRXBJAB-YFXOANNVSA-N 426.521 0.664 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 27542790 WBJDFKBZHBDWFK-GFCCVEGCSA-N 425.536 0.482 50 20 ICGD Cn1c(CC(=O)NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc2ccccc21 117277772 RNYQLJPJOCINAE-UHFFFAOYSA-N 425.470 0.750 50 20 ICGD Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728213085 DWCSUCCSDHKSLP-UHFFFAOYSA-N 434.522 0.299 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3cccs3)cc2)CC1 728214177 ZKGPGGSKAHMNIM-UHFFFAOYSA-N 437.547 0.557 50 20 ICGD CCOc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1O[C@H](C)C(=O)N(C)C 730576144 BSHPFVVYEYOLSI-HIFRSBDPSA-N 425.507 0.826 50 20 ICGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731468863 QDWCFOSVQPYWAY-CYBMUJFWSA-N 431.536 0.303 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O 731761572 RSGYSEUWUQNTJM-UHFFFAOYSA-N 426.389 0.865 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 731851605 GPPSWJPYLJHEOF-UHFFFAOYSA-N 430.284 0.610 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 731958185 MVKCGFPXHUGUGA-SFHVURJKSA-N 434.493 0.178 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)Oc1ccc([N+](=O)[O-])cc1Br)c(=O)n2C 739300130 HBNKSTMNRBGKCC-UHFFFAOYSA-N 438.194 0.710 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)COc3ccccc3O)cc12 742069628 KRALYBKXEQUQDC-NSHDSACASA-N 431.474 0.994 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)c1 744872746 KNTKXYQJYKDRSX-UHFFFAOYSA-N 437.416 0.238 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 745649329 PNRGHHFXULVGCC-UHFFFAOYSA-N 449.489 0.864 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)N1CCOCC1 745992464 AXKIIFMKIXUIGR-UHFFFAOYSA-N 435.300 0.191 50 20 ICGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccncc1 747428077 CBMJLBWOQHGZLJ-MRXNPFEDSA-N 429.502 0.925 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)N1CCCC1 748240227 CUUOUFGSEVGGBI-UHFFFAOYSA-N 432.174 0.583 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1c[nH]nc1C 755407987 GVIGSXHNPRUZME-UHFFFAOYSA-N 438.466 0.214 50 20 ICGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc12 757670396 AKOIKNOUPUVTOY-NSHDSACASA-N 438.462 0.482 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)C2=O 757720148 GEUXNAOAJPUYAG-FMXQPLDNSA-N 437.541 0.380 50 20 ICGD C#CCNC(=S)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 758179313 DIEJJHDFVPGUHP-AWEZNQCLSA-N 440.547 0.081 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759533248 XDEKEPFDODXOJO-ZDUSSCGKSA-N 431.515 0.015 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 760308394 UWDHRTFYTPSJOC-UHFFFAOYSA-N 432.444 0.791 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCCN3C(=O)CNC3=O)n[nH]2)cc1OC 763151271 VFJUOJGXNMOUBS-UHFFFAOYSA-N 430.421 0.187 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCNC2=O)c1 763441297 BDKMQEDXGKAYPV-UHFFFAOYSA-N 426.389 0.914 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763658403 XRCSQXBFHHDAGH-UHFFFAOYSA-N 429.433 0.092 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763679508 AASIRIBPLNFZLC-UHFFFAOYSA-N 449.485 0.795 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)OC)c2)c2ccccc2c1=O 763786414 NRCPFTZPDJMIEC-UHFFFAOYSA-N 437.412 0.603 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763873514 VDVQSRDJQIWINC-ZDUSSCGKSA-N 431.424 0.611 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)n1 763886354 VICHTAYQLUSTHL-UHFFFAOYSA-N 434.460 0.960 50 20 ICGD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)n1 763921766 OFETYZUKGQTBGH-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)c1 764280342 MTGYHAHZRLHMFN-UHFFFAOYSA-N 435.234 0.914 50 20 ICGD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764297000 LKGPZWDFDMYVOW-UHFFFAOYSA-N 429.355 0.782 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 764297161 MKPLIYFFICWHGK-UHFFFAOYSA-N 432.238 0.687 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 764344570 ZXNKMXGJRASOPN-MRXNPFEDSA-N 449.471 0.388 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 764426472 UXFPJPUBBLQSOC-SNVBAGLBSA-N 425.291 0.391 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 764554014 UZLUERJBVLYSPH-STQMWFEESA-N 434.449 0.979 50 20 ICGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 765468453 HAYBDRRFIMIWFY-UHFFFAOYSA-N 442.501 0.977 50 20 ICGD COc1cccc(OC)c1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765738782 OGVFFNKWHNWGND-UHFFFAOYSA-N 440.500 0.852 50 20 ICGD CC(C)(C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O 766664145 OFESYTVJZAMUFN-UHFFFAOYSA-N 430.958 0.428 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 766923003 CDDQJSGBHMJJSG-CQSZACIVSA-N 441.400 0.343 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)c1 767187443 RBTMPLBNIMGQJY-UHFFFAOYSA-N 433.552 0.691 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1 768627606 AICXYVRHLDSUTG-UHFFFAOYSA-N 437.499 0.767 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 769454604 KWTIYZJXQDPYDN-UHFFFAOYSA-N 438.387 0.416 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CCCCS1(=O)=O 773392414 IWYCNUQFFKZOOY-KRWDZBQOSA-N 442.969 0.572 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nc(C(F)(F)F)n[nH]2)c1 776257633 YWKMVMYSGMJADQ-UHFFFAOYSA-N 435.388 0.218 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 777765367 MRZXGAFHRNXYOF-UHFFFAOYSA-N 440.522 0.852 50 20 ICGD CN(NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C(N)=O 778412243 NXUCNFAUOQODFY-MRVPVSSYSA-N 425.330 0.953 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCS(=O)(=O)C1 783428309 UORVNPOLPPCYAZ-IBGZPJMESA-N 449.558 0.842 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cc(C)nn1C 789038492 SHHPUABTSFNXRQ-UHFFFAOYSA-N 432.550 0.884 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 792208887 YQUXKVVMMOCLGA-GOSISDBHSA-N 437.378 0.656 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N[C@H]1CCS(=O)(=O)C1 795302716 LVOTUPJVXSIVGW-LURJTMIESA-N 430.823 0.067 50 20 ICGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] 795874186 UVNZTMVFXKLBMA-UHFFFAOYSA-N 428.243 0.563 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 797369275 RQPXZOWSRADKNI-UHFFFAOYSA-N 441.400 0.030 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)c2ccco2)s1 805044658 XVLNCIBBOCIWKA-NXEZZACHSA-N 437.482 0.417 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 812730407 HUUMIPJYVPAKOY-ROUUACIJSA-N 436.534 0.821 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@@H](B(O)O)C1 864233408 JEUSQHCHRAXNHA-CXAGYDPISA-N 426.300 0.226 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCN(CCc3ccc(F)cc3)CC2)c(=O)n(C)c1=O 915957807 WENUZLHULIYKDI-UHFFFAOYSA-N 448.524 0.521 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccc(Br)c2O)c(=O)n(C)c1=O 915958827 YNSOOLWWJQNNDJ-UHFFFAOYSA-N 428.268 0.190 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(-n3ccnc3)c2)cc1 918552353 QLTUDZXUSLAGMM-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028478 MDJJATPRLDYHCD-HXUWFJFHSA-N 428.449 0.047 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ccoc4c3)C2)C1 1782323812 CWYBZGLTIKAYPX-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c12 1782521859 ULEFEKNISXSYAT-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934562 ISCQRLFMQHQNCY-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C)c3ncccc13)CCO2 1783936072 QSBFEBPJHTZQQM-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c[nH]nc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979821 KHHMPIWTESJQCN-CUWPLCDZSA-N 448.288 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787499168 WCZXBEROHWTMGE-LQSBQDLSSA-N 446.957 0.022 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788565408 JEPGAQZDMKAULC-NTIKPUAMSA-N 437.368 0.910 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C[C@@H]21 1791249390 KCGPKFLAZRJHEU-XDKXFUCDSA-N 430.929 0.809 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1791255229 HHENJGJTUCDHJI-KSYCFECVSA-N 449.891 0.669 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1791287368 ZAXIHLJZPLRMSO-YDHLFZDLSA-N 437.453 0.154 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 1791291153 NGAYISULGVBKDH-YDHLFZDLSA-N 426.901 0.899 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791627115 MXGUVYXKYTYMJH-OWSLCNJRSA-N 447.536 0.202 50 20 ICGD Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797753064 RYQPHLREIIOUBD-HBCWATKFSA-N 441.463 0.650 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(Br)cn1 1798029525 LEFSENSIALQUJW-DJBIQUGXSA-N 432.702 0.647 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)nc2nccn12 1799990425 WAGZOCDTXCOCSR-XCCSTKFXSA-N 440.273 0.931 50 20 ICGD Cc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801013329 PAXASVSQJFHMSV-FAQVEIGNSA-N 432.521 0.336 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801530989 XBMAXMHYORBVGZ-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803827880 QMIKQHDWPBKAJH-DYESRHJHSA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cn(C)cn2)[C@H]1c1cccnc1 1805955089 PNCHMWSGKRQZTH-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD CN(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806897086 YJUCVNRUHNCCDI-UZLBHIALSA-N 439.520 0.351 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1F 1808884451 PIMTVQFIQGNCCO-DYESRHJHSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813028044 JDADHWFXNOEVAX-GQIGUUNPSA-N 448.907 0.656 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1813070197 FBYATVUMDXXWLL-JTSKRJEESA-N 444.536 0.083 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667480 ZZJQFFMYOZZCCV-MWLCHTKSSA-N 441.286 0.737 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C1(O)CCC1 1817470109 JDAJGGBZCOKMDO-KBXCAEBGSA-N 440.309 0.947 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829092122 YLGVUYXFLRVJCW-OXJNMPFZSA-N 441.337 0.290 50 20 ICGD Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834422494 PTGISZGEZBIEQE-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823155 LKTVJELCTAJMCS-KRWDZBQOSA-N 429.315 0.882 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)CN1 1836413984 SPUINOPDJLQHRO-IAQYHMDHSA-N 433.322 0.385 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138444 GOMNRARUMNMGCQ-VFNWGFHPSA-N 449.891 0.909 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)ccc21 1837148930 BUXFIZHYWZZRQO-KXBFYZLASA-N 425.844 0.534 50 20 ICGD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1 1837364899 ZGTJXENNNRCDNY-UHFFFAOYSA-N 446.552 0.770 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1 1837921171 IRTQGBHYYUEFCM-OAQYLSRUSA-N 442.321 0.671 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839967012 WQPFXGKMPFVLLQ-VKJFTORMSA-N 434.375 0.957 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839997516 RFNHMSPTSDIOME-DYESRHJHSA-N 438.908 0.220 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1840150950 UKENKHOFPOLLRU-YJBOKZPZSA-N 431.942 0.704 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1840151086 VYDCYXMTDRTWIV-OXQOHEQNSA-N 442.944 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1840152710 QGQOZWYRZPHHBZ-DNVCBOLYSA-N 427.885 0.419 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840153224 HWLYHUNNWHDSMX-VSWNAAFFSA-N 430.933 0.168 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840930295 QNJIKFDUCLISPE-DENIHFKCSA-N 436.936 0.848 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842854179 WVKDUKUSOAALBO-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COc1cnc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)cn1 1843415344 AYXAPVUPGICGAE-ZMOGYAJESA-N 425.449 0.436 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847567976 IDPCRXUUYDYPGO-IGQOVBAYSA-N 447.916 0.244 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)ccc1Cl 14368722 IBKUNFHLWANLIP-UHFFFAOYSA-N 439.881 0.294 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)n(C)c1 16229727 XLCZKBMBUSJMOL-UHFFFAOYSA-N 446.533 0.946 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 23722874 MWNLGLOXLOOZPN-UHFFFAOYSA-N 449.485 0.986 50 20 ICGD CN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 24932740 GFVNGNYXLYQOOB-UHFFFAOYSA-N 430.442 0.238 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 25416585 BUUNWQJXHKBGND-CQSZACIVSA-N 434.474 0.340 50 20 ICGD COCC[C@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726261762 URMRPVKKUPVMCT-HNNXBMFYSA-N 442.538 0.396 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc(OC)c1OC 729494185 KQXKYBLMRAQXLH-CYBMUJFWSA-N 437.497 0.244 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)NCC2CCC2)nc1 731761193 WPUNVCWJTVREKN-UHFFFAOYSA-N 448.571 0.114 50 20 ICGD CCOc1cc(C(=O)NNC(=O)Cn2ncn3nccc3c2=O)cc(OCC)c1OCC 732750470 QNPIERBGBJRRJH-UHFFFAOYSA-N 444.448 0.548 50 20 ICGD Cn1c(NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)nc2ccccc2c1=O 733260791 RJMLRRWXKPUNAM-QGZVFWFLSA-N 428.493 0.090 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1 733908580 OQKVHVNQJJMBCG-INIZCTEOSA-N 438.550 0.733 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 734259950 OFOWSHKGQKGZRO-UHFFFAOYSA-N 435.448 0.046 50 20 ICGD O=C(NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 742578045 WFEMYQFQWJCFSO-LLVKDONJSA-N 438.384 0.929 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C1=CC=CN2CCS(=O)(=O)N=C12 742772322 YJTXZINYPIVDKX-UHFFFAOYSA-N 425.264 0.708 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 744939153 JGJUZOSZWNWRLL-UHFFFAOYSA-N 426.341 0.856 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H](C)CN2CCN(C)CC2)nc1 745862462 JWPIRNUHKXYWGW-HNNXBMFYSA-N 427.575 0.278 50 20 ICGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745905478 KGZDDTOWZXIOQP-AWEZNQCLSA-N 442.542 0.232 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccccc2)[nH]n1 746385608 GKZJKLCEKKPRDG-INIZCTEOSA-N 426.477 0.018 50 20 ICGD COc1cc(C)nc(NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 746625079 GQGNCHNNURPGMD-UHFFFAOYSA-N 434.522 0.552 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 747603004 UHCZWURLHHSMLI-ZETCQYMHSA-N 445.302 0.524 50 20 ICGD O=C(COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccs1 748378979 IVZDBPXHNLHFPX-UHFFFAOYSA-N 435.418 0.460 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1NC(C)=O 751279391 IFLVZHAKJPXWSO-UHFFFAOYSA-N 426.476 0.455 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)c2ncsc2S(N)(=O)=O)N(C)c2ccccc21 753888908 JISVUKPFSKQRCF-UHFFFAOYSA-N 433.471 0.838 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2OC(C)(C)C)n(C)c1=O 756584646 GULGDULSYMDITO-UHFFFAOYSA-N 443.464 0.464 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 758029437 LAOUJNVTQVYNOW-VIFPVBQESA-N 443.482 0.162 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Br)cc1Cl 758215878 QMBUUKVLRSAIIG-UHFFFAOYSA-N 442.719 0.819 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 760442591 MMGWCKQBBSQECM-NRFANRHFSA-N 445.476 0.442 50 20 ICGD Cc1cn2ccnc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2n1 761390156 JCCJSHICGFRGMK-UHFFFAOYSA-N 444.473 0.133 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1C 763680554 UJLPTKMRHBKPDH-UHFFFAOYSA-N 438.437 0.255 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 763711718 ALENTVBCJZIGAM-SFHVURJKSA-N 440.456 0.315 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)OCO2 763717948 DMGMRCBNHOAIJK-UHFFFAOYSA-N 448.457 0.374 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)ccc2F)c1 763719343 XADNLNZSBJEQHD-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1F 763803289 KXRYWRXEVDHWQM-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 763824326 HURRPGNNICBMIZ-AWEZNQCLSA-N 439.501 0.880 50 20 ICGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)ccc21 763881481 OFGWNSJCAMMCPA-UHFFFAOYSA-N 426.477 0.975 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CSc1ccccc1O 764038598 XJMAVMKUHOMWLY-GFCCVEGCSA-N 434.499 0.870 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 764040101 CXUXORYNJKPVQK-UHFFFAOYSA-N 427.446 0.793 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 764232391 DNSSEGKOUDXELJ-UHFFFAOYSA-N 429.477 0.053 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)c1ccccc1 764331329 BDCGXNLSLLMFLP-OAHLLOKOSA-N 428.445 0.839 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cc(C#N)cc(Cl)n2)c1 768708139 NKGKGMVXPJDQJL-UHFFFAOYSA-N 438.897 0.942 50 20 ICGD O=C(Nc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1)OCC(F)(F)F 769624920 FTWQWHUAHOTLKI-MRVPVSSYSA-N 439.368 0.699 50 20 ICGD COc1ccc(C(=O)NNC(=S)NCCSC)cc1S(=O)(=O)N1CCCC1 769765962 PORGZHDYXYLTRY-UHFFFAOYSA-N 432.593 0.952 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 771234333 IRGFNLOTRMHWES-JOCHJYFZSA-N 439.472 0.989 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 774006151 BGSXPVSUGPXULJ-NSHDSACASA-N 429.824 0.869 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC(=O)NCC(F)(F)F)c1 779640505 DUGUNMAGQYDFCS-UHFFFAOYSA-N 438.428 0.547 50 20 ICGD COc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 784229488 FESHAFIXDAGCQK-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD COc1ncccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230274 LVGDHCRXLGYDLC-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 789742212 FFZBHPHGVFRGRR-DNVCBOLYSA-N 435.502 0.558 50 20 ICGD C[S@@](=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368336 AJPLXEWELAELFC-SSEXGKCCSA-N 432.458 0.436 50 20 ICGD C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368501 BOJKYZHQTMVSDS-CQSZACIVSA-N 439.428 0.990 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNc2nnc(-c3ccccn3)s2)cc1 798343189 XZSCTTCPSZNGKA-UHFFFAOYSA-N 434.503 0.970 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NO1 798954623 YMTKFNMZYAIQKF-CQSZACIVSA-N 447.496 0.510 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1C 808092727 WUBPXTPPLOODRQ-UHFFFAOYSA-N 445.457 0.580 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c(OC)c1 810356567 USDKCVHBKZIPCN-UHFFFAOYSA-N 435.458 0.646 50 20 ICGD CC(=NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811632821 BHOPHQOSWKRMQW-UHFFFAOYSA-N 428.474 0.972 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 815268585 QFFKLDABXUPMNM-UHFFFAOYSA-N 446.489 0.508 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 815569303 OCBQRJCSBUNSQH-UHFFFAOYSA-N 432.238 0.687 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 815692801 BUTZRKRBGQFGIJ-LBPRGKRZSA-N 439.407 0.953 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)c1 915123299 PPBWVCNXJLYORK-UHFFFAOYSA-N 438.780 0.666 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1C 916390817 YWSOETFPJGLWFG-UHFFFAOYSA-N 439.520 0.919 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccc(Cl)nc2)c1 917249094 QEWIJAZEVZDPBQ-UHFFFAOYSA-N 441.897 0.388 50 20 ICGD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919883198 BULBTMPVEHPUBS-GXTWGEPZSA-N 428.536 0.573 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NCC(F)(F)F)CC2)cn1C 1116896455 PERSMDBIEDDCJU-UHFFFAOYSA-N 426.421 0.022 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781215122 IGUGTVAVINJEPB-SIFORAMQSA-N 438.912 0.840 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783752190 FNRCCORLYWFTEQ-KBXCAEBGSA-N 430.343 0.860 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(Cl)cc2nn[nH]c12 1789280492 IQHKVLHHNCCYEW-HLHNXRDNSA-N 442.303 0.804 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790960659 PKNXJYHANQNXQR-YTFOTSKYSA-N 430.343 0.830 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2cccc(F)c2)CC1 1793782530 GGMVOKZDAGGXOC-VPTLXERWSA-N 446.523 0.820 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1scnc1C(F)(F)F 1794978667 RFCGPLDIGDXCIK-JXUBOQSCSA-N 427.832 0.965 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(F)cc([N+](=O)[O-])c1 1796189350 BJJMYMSFSRJBTR-BCDXTJNWSA-N 441.224 0.979 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(C)(C)C)cn1 1796764012 OWMWJWMVONUYQU-YVWYUNDQSA-N 446.552 0.350 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)CC1 1797933123 RLBBRXXYMSHJRH-HLPPOEQASA-N 433.322 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799748505 HCTUQJKDQNUQGG-YVWYUNDQSA-N 431.468 0.274 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(C)n1 1801012116 FLJVSHHAVHNUBS-BBIADKPPSA-N 445.564 0.594 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803580501 GYSYDLYRLUMQKI-OEAJRASXSA-N 431.942 0.368 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnccn1 1805429392 WWLZJCYSEBNPOJ-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1806113096 VLOLGACFIIPKOM-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1806766428 MRJBUWODKKCKAL-CZUORRHYSA-N 432.340 0.917 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807362080 DKJTWOZYVPUHCA-UWJYYQICSA-N 449.276 0.015 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1C[C@H]2C[C@H]2C1 1809972525 PWAJFALOPOQVSG-RLLQIKCJSA-N 439.365 0.551 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979850 DELZGMYKMRDBRZ-SFHVURJKSA-N 438.337 0.744 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cnn1C 1813071626 VOBNSSKQPINVTD-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)COC1 1813073088 HGVSAPMDHZTIFQ-FXAWDEMLSA-N 431.537 0.887 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349975 BMKWGPOOWBSTRT-SWLSCSKDSA-N 427.291 0.087 50 20 ICGD Cn1cc(F)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356577 JJPUCPUEXMMODK-CQSZACIVSA-N 442.281 0.840 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816785029 RJPUBBXXJVAGKN-AWEZNQCLSA-N 446.346 0.473 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1ccc(B(O)O)cc1 1817475929 VJQCYPOMRPCFRX-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1820162880 UJDVIWDPJQJCMM-QWRGUYRKSA-N 427.603 0.499 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026399 IEIVRXJXKWLGON-MRXNPFEDSA-N 441.605 0.540 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822189087 NXUSQOWQDSPFPB-RBOXIYTFSA-N 444.330 0.836 50 20 ICGD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822531984 SLUIVIQQYJATAX-INIZCTEOSA-N 436.302 0.686 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 1828925421 LBUBFVMPBRTTCE-KRWDZBQOSA-N 425.493 0.955 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830354165 SEMXWNVVYUVSMR-FQEVSTJZSA-N 441.912 0.023 50 20 ICGD CN(C)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830732569 SXIUSPMWTIPVJF-PXNSSMCTSA-N 425.913 0.422 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733977 XMYIQRFJDCXDPH-BEFAXECRSA-N 448.850 0.958 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1831460263 TVMGYIORKNZPPR-QGZVFWFLSA-N 436.553 0.932 50 20 ICGD O=C(COc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832680338 WHTPTXHANSWEGX-RDJZCZTQSA-N 446.273 0.607 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681056 NLKFHCYOCPOIAF-APWZRJJASA-N 427.885 0.171 50 20 ICGD CN(CC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1)C(=O)C(=O)O 1833215650 VNJHEHQUZLQOIF-UHFFFAOYSA-N 444.960 0.366 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762247 LTJYSGYFACORMD-JKSUJKDBSA-N 441.960 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833768344 SFBJACBSYHDPFZ-AUUYWEPGSA-N 427.885 0.414 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504484 OWKFIJFSGZHONI-NHYWBVRUSA-N 437.360 0.100 50 20 ICGD CC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836666318 UMICNJJGWMWSFO-SFHVURJKSA-N 433.509 0.068 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717468 WLSQFTDELKNIHA-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837381128 MQSJOBFEWXREPB-HNAYVOBHSA-N 444.605 0.002 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531786 WTMNFELOMUUVFQ-XOHYCUHISA-N 431.917 0.989 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1838510911 NNKSJTFZORDSLN-UHFFFAOYSA-N 447.536 0.305 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)o1 1839197776 IFYMCNPDLZRWIK-BLLLJJGKSA-N 449.277 0.501 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014484 PCAQNJSCIZENOI-UHFFFAOYSA-N 431.298 0.097 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015515 LMQMPPJBLKQKJO-UHFFFAOYSA-N 445.325 0.488 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130528 FYBSNHYBKJHCAA-NSHDSACASA-N 435.275 0.346 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1843913173 WGDTWCDCBQEUDV-UHFFFAOYSA-N 429.521 0.764 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264302 DXBNHURMKJAXIK-UHFFFAOYSA-N 443.533 0.467 50 20 ICGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874339 VZOVUFAJXLMYQO-MELADBBJSA-N 442.969 0.387 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847567710 BUTUKBGTGNRTOL-XLAORIBOSA-N 425.888 0.674 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(=O)NC1CC1 11684019 UAOSWKGIPZTSIN-UHFFFAOYSA-N 426.395 0.984 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 728366808 DCELHJXWNFKXPI-UHFFFAOYSA-N 425.850 0.534 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc(C)c1C 731880588 QTTGJRAIAIFRHT-SNVBAGLBSA-N 431.492 0.062 50 20 ICGD CN(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 733361204 UHSGTHFQVZSUSQ-UHFFFAOYSA-N 436.456 0.815 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 733885052 QLGRCSAUTXLUJO-AWEZNQCLSA-N 428.493 0.149 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COCc2ccccc2)cc1 737636648 UZCCGZFKORYNOE-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD Cc1nc(C(=O)NNC(=O)COc2ccc(C#N)cc2)nn1-c1n[nH]c(C(F)(F)F)n1 747346154 WNVGRTLBMQORCN-UHFFFAOYSA-N 435.326 0.424 50 20 ICGD C[C@H](C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748828286 VZMVLRDDHCAGII-YQUAAKRBSA-N 448.426 0.851 50 20 ICGD N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 750038818 KWZMALAETRMPOS-DQTPKQAYSA-N 440.503 0.594 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 751203775 RYITVTDMQYVZJV-ZDUSSCGKSA-N 449.261 0.972 50 20 ICGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 753361226 ZTWJOPZNHVTJOA-PFUSGODGSA-N 430.552 0.572 50 20 ICGD CCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 755391005 IJLJKTLHVBSACF-UHFFFAOYSA-N 425.511 0.870 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc1Br 756770534 KZBCWGOWENMZOT-UHFFFAOYSA-N 440.258 0.604 50 20 ICGD Cn1c(=O)oc2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cccc21 756847063 SIRJOYPLIFYSLQ-UHFFFAOYSA-N 444.469 0.991 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)c1=O 757862209 GCHPVZGEVIOOOO-UHFFFAOYSA-N 437.464 0.430 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 762361194 LSAJCELTCROEGP-UHFFFAOYSA-N 441.535 0.345 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570655 HLKIPNWZACSBKF-INIZCTEOSA-N 428.401 0.246 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 763714410 VMBRFSNYDZARQH-SFHVURJKSA-N 441.440 0.742 50 20 ICGD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763920744 CHTVMAJNJXHESM-UHFFFAOYSA-N 428.840 0.781 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1C 764004729 SOBOPOYKQQUVPY-UHFFFAOYSA-N 448.457 0.074 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccc1F 764346391 ZOPCHLRIJCRBOI-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 764383243 ZBOBQCRXPDPMRL-UHFFFAOYSA-N 448.486 0.446 50 20 ICGD NC(=O)c1ccc(NC(=S)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 764518505 FVJQCRRBDJBGRB-UHFFFAOYSA-N 440.529 0.561 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 764554013 UZLUERJBVLYSPH-QWHCGFSZSA-N 434.449 0.979 50 20 ICGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cc(-c2cccs2)[nH]n1 765567326 FQDUTFFGFPBFGW-UHFFFAOYSA-N 430.471 0.638 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)n[nH]1 765583981 UCGBEIAHCGTDBB-UHFFFAOYSA-N 442.295 0.996 50 20 ICGD O=C(CCCCN1CCOCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766650213 IXROTGMSXBYPMQ-UHFFFAOYSA-N 431.537 0.094 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 767447272 JNGQJDUHEOOFAP-GFCCVEGCSA-N 442.494 0.321 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 767681448 WPOIQFJSAZIYNP-CYBMUJFWSA-N 430.442 0.229 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768242498 RMOHAOIYBVWLHW-UHFFFAOYSA-N 448.439 0.823 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 768630227 VISFYHRDKZXRBG-AWEZNQCLSA-N 431.474 0.662 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCCS3(=O)=O)cc2)CC1 773458328 FEWAYRBHXHJXDR-MRXNPFEDSA-N 430.552 0.033 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F 773667823 SQKGFDFMTYYXLA-UHFFFAOYSA-N 439.425 0.965 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1 778707694 UUININOBPPZMNH-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCn2ccnc2C1 779663975 LMVXLMKZTULBEN-OAHLLOKOSA-N 432.506 0.627 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 779898012 FSVQHROATZISMI-HXUWFJFHSA-N 430.417 0.242 50 20 ICGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1=CCN(C)CC1 781396611 PKMBUEPMRSTBFX-HNNXBMFYSA-N 437.570 0.294 50 20 ICGD CN(NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783703868 HPAKMSXBVVAZDW-ZDUSSCGKSA-N 435.472 0.588 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ncn1 783945255 IWIVKJYXWPWTNH-KBPBESRZSA-N 448.505 0.665 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 784004069 IEOSWWFYWGRUNA-UHFFFAOYSA-N 431.796 0.030 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cn2)n1 784004189 UJQUFBZRYGNBRW-UHFFFAOYSA-N 441.473 0.462 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1OC 788177926 OABUKTQEUVWNPI-UHFFFAOYSA-N 447.477 0.491 50 20 ICGD CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 789871558 QQYWZGVIGRNOKG-CYBMUJFWSA-N 432.568 0.982 50 20 ICGD Cc1cc2c(cc1S(=O)(=O)NNC(=O)c1csc(N3CCOCC3)n1)OCO2 794867007 RUTBSPIBOCVRJB-UHFFFAOYSA-N 426.476 0.640 50 20 ICGD Cn1ncc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1I 814714947 VXDWNSNJIIQIAT-LLVKDONJSA-N 428.186 0.626 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 913416810 VEJFFGXSJJPCDT-QGZVFWFLSA-N 433.442 0.155 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccc(-n2cnnn2)cc1 914751892 RFSDHSMRVQNCAH-GFCCVEGCSA-N 427.371 0.755 50 20 ICGD O=C(COC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916030027 OHFYAAAGVMTDNW-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD CC(=NNC(=O)CN1CCCC1=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 916543353 OJVYYMYCPBCSQZ-UHFFFAOYSA-N 438.506 0.635 50 20 ICGD O=C(COC(=O)c1nn(-c2ccccc2)cc1O)NNC(=O)[C@H]1COc2ccccc2O1 917947719 GJQORPFKRPHWSG-QGZVFWFLSA-N 438.396 0.722 50 20 ICGD O=C(NNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919889865 VQWPORUGOCJHGF-IRXDYDNUSA-N 430.486 0.675 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)NNC(=O)COc3ccc(Br)cc3)nc21 935841847 GXXYDVNJFMFVST-UHFFFAOYSA-N 449.265 0.990 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C 1322678710 CBTNBNNSEVFMLZ-CQSZACIVSA-N 437.547 0.508 50 20 ICGD CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1339414885 SAFQUNZCVOSOKP-VXGBXAGGSA-N 431.540 0.280 50 20 ICGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1778054787 BSRSENKKOWSSQN-BFUOFWGJSA-N 448.842 0.549 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779195524 DQJLWSGDPFAFSI-NPNMTCQASA-N 433.933 0.972 50 20 ICGD C/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968666 PCDQHKGLBSMFAV-RJOTYRNVSA-N 429.521 0.739 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783245491 CJAPZTXCKQFPJV-WKUQZLKGSA-N 426.322 0.636 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1783990533 DVRWLCMBXSOYBY-HTVCTNPSSA-N 437.896 0.386 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784449464 NJEUXGAGNGQGCC-AVGNSLFASA-N 425.345 0.186 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(F)c3)[C@H]2C1 1786145283 KTPPJSXABWBLDN-IGNZVWTISA-N 442.451 0.126 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787445829 NZVZNTWNCHMANJ-JMXHXPFRSA-N 427.864 0.635 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCOCC3)C[C@@H]21 1788610870 YLSIIGRERLJCFE-SNRMKQJTSA-N 445.520 0.095 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1792868613 GQVKNUUEDXPMOL-XGFWRYKXSA-N 439.372 0.288 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(OC)nc1 1793895068 RISAICFXKKIFFG-RCJHGTSTSA-N 425.913 0.866 50 20 ICGD Cc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736670 DHISMRCHUXUPHW-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795737069 ZTBXNDKFHKTCKB-BWKKGPAXSA-N 447.300 0.510 50 20 ICGD Cc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cc2n1 1795943568 SKKWLTXBWCWRAD-USGNIVHTSA-N 443.504 0.712 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2)[C@@H](F)Cl 1796365624 ZWRSGUWIPMZIEH-CZAMWMTLSA-N 437.855 0.797 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)no1 1796420091 AXRLYYGTVXVMQQ-OVZMXSCWSA-N 443.298 0.685 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2 1796446435 WWPJNYVHSKBPQI-FTPFZSLWSA-N 439.875 0.635 50 20 ICGD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc2ccccc21 1796767307 SLGHQVKMXNTZMT-OPMZPASUSA-N 447.300 0.375 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1797533450 CGDMGHDOMZZHTP-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798414226 OXHZJDJYAWRLPI-OXIQGZBJSA-N 440.909 0.213 50 20 ICGD CCn1nc(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440234 IDSFDTNJUQZSCL-QDMKHBRRSA-N 425.493 0.776 50 20 ICGD O=C(CCc1noc(-c2ccccc2)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799041975 GQQHWIDWRINPHQ-YYAJDYIMSA-N 448.907 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(C(C)(C)C)c1)C2 1801009421 HKJNWIQQBPLOLY-CWPLJXCYSA-N 433.553 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2 1801012258 RKTJRXXRRULRTA-GOYZHWMFSA-N 428.533 0.753 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnccn1 1805428491 QJSBXHGKHSQYRO-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1805733288 QEDOULPBTGMQQJ-BEFAXECRSA-N 448.487 0.447 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371050 OUVZMKZGECVHJU-MTOHEIAKSA-N 438.337 0.454 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308676 MMBWDEHBPCMQLW-OXQOHEQNSA-N 440.504 0.826 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810539736 IKUWOTRPHRWDDM-BEFAXECRSA-N 447.568 0.491 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814848270 SOTXGMVJMYQBTK-KHIZAZIESA-N 430.339 0.422 50 20 ICGD C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815211476 JZWRLEUMBKIQPT-KSSFIOAISA-N 426.282 0.987 50 20 ICGD COC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401465 CIAVVHCHWZCMQB-MLGOLLRUSA-N 429.481 0.997 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793053 JJYQOUWSLFESMJ-MMPTUQATSA-N 446.533 0.774 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc[n+]([O-])cc1 1820029849 HEVPZJGTSUWTCY-GOSISDBHSA-N 435.249 0.343 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1ccc(F)nc1 1820367418 YBDLXGLJVOJJIO-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD CC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822846459 ZGQGCVMJWUAZPF-YUMQZZPRSA-N 436.885 0.512 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825640735 CUKKFNKNPYBSCQ-YIZRAAEISA-N 432.344 0.431 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)c1cccc(B(O)O)c1 1825686998 JGURTSGVVLCQFJ-ANQUJSFKSA-N 441.318 0.616 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053392 MGLJHIOMZCPRLZ-QRWLVFNGSA-N 429.326 0.124 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830275760 ZTTXHNNXJSDDHF-QFBILLFUSA-N 447.315 0.775 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835156829 ALQJCWNFUDXOIA-PXNSSMCTSA-N 426.897 0.430 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836116998 HJDNJYTZHJMXDQ-QFBILLFUSA-N 432.851 0.563 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836160899 AEYOHFFYFKOVTD-WMLDXEAASA-N 429.315 0.371 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837001523 MOSPPWSORPYIBE-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)on1 1837481785 OMVSHGIVHRQHPV-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837590212 COFFWEADXGFWHX-MAUKXSAKSA-N 443.342 0.891 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711650 MOUYDVCNAZPYKY-DNVCBOLYSA-N 429.590 0.161 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839070176 ZNFZQZJPZKPDMH-WIYYLYMNSA-N 435.908 0.767 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1C 1839150462 NAUXALGWSFGDKB-RBUKOAKNSA-N 447.363 0.964 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198465 DXPZNNRODDDLMV-JFILPPLUSA-N 425.295 0.540 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839686929 ZSHIPOWAVICLDI-BDJLRTHQSA-N 427.281 0.808 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031348 NANMGZKTELDFTR-QLJPJBMISA-N 433.278 0.711 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c2c1CCC2 1840188348 FLQMSTSXXNIFTJ-SFHVURJKSA-N 431.320 0.783 50 20 ICGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188550 PGVCLJPTDPALKB-LJQANCHMSA-N 433.332 0.945 50 20 ICGD O=C1NCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)ccc21 1840188603 SQJWUVWBRPCNLM-IBGZPJMESA-N 442.299 0.804 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189065 UGSRYLCMIPKFMF-INIZCTEOSA-N 446.316 0.960 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189803 MMFWOUPZWZZIBD-KRWDZBQOSA-N 433.292 0.539 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840483509 QKMZHQAOPKEENI-RTBURBONSA-N 446.331 0.901 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CCO2 1840531479 BEFBEMYQAMQAAE-JBYIUTFZSA-N 438.569 0.642 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840930297 QNJIKFDUCLISPE-SIKLNZKXSA-N 436.936 0.848 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844490589 WKRBHZQSWBEBSV-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCc2cnc3[nH]ccc3c2)C1 1846254423 GZDPHBIRNDXBMR-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 728209453 DWNORHABJOMLAI-UHFFFAOYSA-N 437.503 0.068 50 20 ICGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728209556 GMGBZHOSGNFBKG-UHFFFAOYSA-N 439.519 0.334 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 728312327 MJQTZCQANWNDHI-UHFFFAOYSA-N 429.458 0.068 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 731491504 OABREWZDOFMNLJ-OAQYLSRUSA-N 426.429 0.932 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 732082948 RLWPDIHHSXQPIJ-CQSZACIVSA-N 441.897 0.366 50 20 ICGD COc1ccc([C@@H]2[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CCC(=O)N2C)cc1 734428496 SABTVLQASJSLCS-JLJPHGGASA-N 438.506 0.122 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCCC2)c1 735646858 VXEQXLRCWTYWKM-OAHLLOKOSA-N 431.536 0.604 50 20 ICGD CCc1cc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)nc(-c2ccccn2)n1 738531871 MXMGFAJRJBFXJE-UHFFFAOYSA-N 430.494 0.565 50 20 ICGD CCc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)on1 741425885 SLGKWBZWQSDLQO-UHFFFAOYSA-N 437.478 0.402 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccc(-n2cnnn2)cc1 742480422 KFNAWJSFZOMHPC-UHFFFAOYSA-N 426.824 0.920 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 744385344 WALUCGIKNUBSMZ-UHFFFAOYSA-N 427.483 0.095 50 20 ICGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 750713171 CPCKYSWXLROPLV-MRXNPFEDSA-N 446.533 0.785 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 751294793 RYEJCIUTHOXFPX-UHFFFAOYSA-N 443.482 0.565 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 756108150 KOHGQUSBBOIKGD-JTQLQIEISA-N 433.918 0.816 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc2)CC1 756358574 KFHVMCUDCKYPBR-UHFFFAOYSA-N 428.497 0.097 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cc(Cl)ccc2O)c1=O 757781505 TTZLAZDEVWPOFF-UHFFFAOYSA-N 428.854 0.718 50 20 ICGD CN(NC(=O)c1sccc1-n1cnnn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758781874 IXYAXJDODCJMLE-UHFFFAOYSA-N 436.498 0.973 50 20 ICGD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206126 OGVKBNIDXOKQME-UHFFFAOYSA-N 442.313 0.892 50 20 ICGD NC(=O)c1cnn2c(C(=O)NNC(=O)COc3ccc(Br)cc3)ccnc12 763259194 TVNFNVUGEUAEJA-UHFFFAOYSA-N 433.222 0.431 50 20 ICGD CC(C)Cn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763531419 NRXIVKFHSRRYPC-UHFFFAOYSA-N 441.536 0.837 50 20 ICGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574574 FGGWKSMMILOOEF-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCC(N)=O 763736623 XBCBGWYYVBQSCC-UHFFFAOYSA-N 444.488 0.862 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763851767 VODWPXLEIIQREX-GFCCVEGCSA-N 442.407 0.264 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1OC 763947949 GSWGUWKJCVJSDN-UHFFFAOYSA-N 425.401 0.995 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Br 764002768 RUGWTZVPIDXWJG-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 764092101 NCWVLWTYGIRFCZ-UHFFFAOYSA-N 434.456 0.644 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccco2)c2ccccc2O1 764168269 ACIRFGJVNXUOEN-QGZVFWFLSA-N 428.445 0.680 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764227154 XYAFZEBMFCDXHQ-UHFFFAOYSA-N 428.493 0.324 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764276915 FEBNOOMVYZFVTK-UHFFFAOYSA-N 442.428 0.030 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 764332681 WSOJQNIRVILKGW-QGZVFWFLSA-N 428.493 0.495 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 764343741 RKCHWBHBKTVRGL-UHFFFAOYSA-N 435.444 0.498 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 766263881 BZPTWSVAPNJJCT-UHFFFAOYSA-N 440.457 0.783 50 20 ICGD COc1cc(C=O)ccc1OCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 775984754 VMJHORKIUTVLMW-GOSISDBHSA-N 444.396 0.417 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3cccc(S(C)(=O)=O)c3)ccc21 776541389 UBKDXOMNNJXVTK-UHFFFAOYSA-N 430.486 0.872 50 20 ICGD COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 778741793 DFOBCIGEDMJXQN-CQSZACIVSA-N 429.437 0.844 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 781780605 IHCQKAVJIOQPPI-ZWNOBZJWSA-N 429.271 0.404 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 781965608 VPVQGKDJZZKYBY-WBVHZDCISA-N 448.888 0.797 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 784002883 WDMKBCBWBOEWEU-UHFFFAOYSA-N 438.824 0.474 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cnn1-c1ccccc1 784003159 AVUCYRPIFULALP-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD Cc1noc(C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230643 OTFQEGCSGYUJOW-UHFFFAOYSA-N 436.494 0.309 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 785715585 HFGSUKWBRKNFTQ-MSOLQXFVSA-N 440.456 0.304 50 20 ICGD COc1ccc2nc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 788721003 YQQFANNLJGLQGI-UHFFFAOYSA-N 427.446 0.202 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc3ccccn3n2)c1 791261373 FIEFUQNFLCWURG-UHFFFAOYSA-N 445.505 0.633 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(Cl)n2)cc1 793022604 YQCVZQRYYMDBGE-UHFFFAOYSA-N 439.881 0.450 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCn2cnc3ccccc3c2=O)ccc1Cl 793073779 LDCNYPLGCHAFHO-UHFFFAOYSA-N 449.876 0.549 50 20 ICGD COCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 793176705 NMMZQFVULWQGNT-ZDUSSCGKSA-N 448.542 0.168 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369472 YXBFFNXVWUMYBU-UHFFFAOYSA-N 427.417 0.059 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797627216 GZYJTOXCNMVGAZ-UHFFFAOYSA-N 435.462 0.674 50 20 ICGD COc1ccc(NC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 802054833 WKUNGAGNMXFHRF-UHFFFAOYSA-N 449.489 0.528 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F 804977089 LVCFCNJDPMABTJ-HNNXBMFYSA-N 425.375 0.862 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 807368845 KPZOYTUHJFKPSY-UHFFFAOYSA-N 447.485 0.397 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ocnc1C1CC1 807932761 JONGTVVCQGJHER-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)c2)nn1 812980062 MFTCPJIMOVACRH-UHFFFAOYSA-N 426.389 0.663 50 20 ICGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)c1nn(-c2ccccc2)cc1O 915257759 JQAMXEGUBCIMCM-HXUWFJFHSA-N 446.533 0.730 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nc1 920239872 GOMWTZCIRVGBIA-CYBMUJFWSA-N 448.571 0.162 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1 920245698 OSMAUYNFFNOIEU-UHFFFAOYSA-N 431.427 0.650 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)C(=O)NCC(F)(F)F 1321371973 KTBUHVWNHSYABL-SECBINFHSA-N 438.432 0.299 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1779295407 NARDYJAUADZWBD-GOSISDBHSA-N 447.630 0.093 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1780702068 BWMWRPXCHUEGIY-BBEJJTJUSA-N 436.900 0.563 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1781113705 JPFKEWMQHMHVBH-ZYKCCNLVSA-N 449.907 0.579 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784417907 IUYXAAGVIYVAFJ-KKSFZXQISA-N 449.577 0.765 50 20 ICGD CC1=CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786983000 KFDYRSHATTWEHV-LGYWMIHWSA-N 426.322 0.706 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787396939 DAOZIVUUHOWEMN-YDMUCJKGSA-N 430.958 0.246 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787528103 JHEZRQRVKWOBHZ-AJNGGQMLSA-N 432.359 0.912 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)no1 1788611293 SNNCYKGZUVKRKR-IWEFOYFVSA-N 442.476 0.143 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1788765783 RCCBGDDTUGUWSH-BZSNNMDCSA-N 448.596 0.643 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791290618 CEOORYKHZFBLOW-WDSOQIARSA-N 432.521 0.662 50 20 ICGD Cc1scc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1C 1795732459 HMPQRGVSBJVBKM-HGKCTWBKSA-N 428.319 0.562 50 20 ICGD Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737826 XOCPHCJBCBQFQC-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(-c2cccnc2)[nH]n1 1796188715 LKYIVLLQEMGOIU-REPLKXPHSA-N 445.288 0.717 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2ccccc2)n1)c1ccc(B(O)O)cc1 1797003035 JOJOIHAXQWVDKT-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798714663 RQERFOYNFNSEIE-MAUMQABQSA-N 440.220 0.810 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)ccc1Cl 1799578216 AQJLZRQGDWLWHL-HBCWATKFSA-N 446.671 0.676 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802846778 BRMBXGHVAPIMFP-GWZLXJJCSA-N 425.917 0.349 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803009296 SKFVNHVLUCCZKQ-XPKDYRNWSA-N 436.314 0.805 50 20 ICGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1803140027 AQEJAMZUESQVQS-AITUJVMLSA-N 437.972 0.323 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363488 PIKDBZFURCQHPJ-QAPCUYQASA-N 437.290 0.246 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncn1 1808510137 FTCJFQDSHNWLCM-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810876179 LRKKSGPZTNLGPP-UHFFFAOYSA-N 438.236 0.321 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1813030593 JXYJLRKATYLLCA-FXUDXRNXSA-N 425.917 0.788 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813272561 ZQVVEQDPVSLQQN-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813634311 HLLKELPOEDFGQA-RXVVDRJESA-N 437.305 0.386 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)c1ccc(B(O)O)cc1 1817470576 DWBZPUIGDOOXLN-QGZVFWFLSA-N 434.265 0.428 50 20 ICGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](Cl)COC)CC2 1819811317 RCBFGDGFWODYNV-NXEZZACHSA-N 433.987 0.793 50 20 ICGD CC(C)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820004637 ICKRTQNQMYDMMO-IUODEOHRSA-N 431.323 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSCC(=O)O)n[nH]1 1822428118 FMGNSMJRTINBPG-ZDUSSCGKSA-N 440.526 0.593 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829618111 RZGKORMOKMIURI-RDJZCZTQSA-N 447.923 0.923 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831644083 NOFVAWGLUXYCNJ-QRWLVFNGSA-N 438.912 0.658 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831888911 KJBHGFZJIBZYTK-WOJBJXKFSA-N 448.394 0.714 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832204012 BSDGHVCWENRSNE-SJLPKXTDSA-N 425.848 0.422 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833521941 HMQZHLNPOMTEBU-ABAIWWIYSA-N 433.328 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3)CC2)CC1 1834143627 ZBNUSDGKUYSARR-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589166 JISXTBVZVGEDHM-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C34CC(C3)C4)CC2)CC1)c1ccc(B(O)O)cc1 1834800588 PSLVMFXGWDEMLN-UHFFFAOYSA-N 425.338 0.352 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834819793 VELAOXSZBLUFPH-GOSISDBHSA-N 448.358 0.534 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1834822225 DQZWZCIOLMLUNP-SFHVURJKSA-N 426.311 0.866 50 20 ICGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCCC1 1835925929 BEZFLXWOMVLDJP-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD O=C(COc1ccc(O)nn1)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1836504933 YJJMAMFULOOXSQ-QGZVFWFLSA-N 429.880 0.667 50 20 ICGD O=C(/C=C/C1CC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836730153 HVSJEFVLRMTSML-VOTSOKGWSA-N 426.322 0.945 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1837816725 PMZLMJXEQFSYST-LJQANCHMSA-N 445.988 0.961 50 20 ICGD CCOCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920834 INTFPSJMMPZTRF-UHFFFAOYSA-N 432.326 0.405 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034027 YEMWHVQJWFYLNF-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421298 NWWJRECHMQQMRP-ZENOOKHLSA-N 430.303 0.079 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845004962 OOHFHFOAFSWFRH-HNNXBMFYSA-N 447.511 0.520 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1846385364 WHAKIQHNDZOBKN-UHFFFAOYSA-N 447.448 0.514 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)[C@H](O)C1 1847237956 IMNSIJIGENJEKS-RFBLXINOSA-N 445.944 0.406 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 14044633 NUVAMPVGQYQBHE-UHFFFAOYSA-N 448.439 0.442 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1cccs1 725958054 YJBZGJUBYXXEMQ-KBPBESRZSA-N 435.433 0.467 50 20 ICGD O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1cccs1 725958065 YJBZGJUBYXXEMQ-ZIAGYGMSSA-N 435.433 0.467 50 20 ICGD COCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 727162389 BKSXAYORFJKTOZ-AWEZNQCLSA-N 429.495 0.137 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=S)NCC3CCC3)CC2)cn1C 727864791 DXLBDEMPTGFWLM-UHFFFAOYSA-N 428.584 0.425 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CC(C)(C)C)c1 728608425 YKXXTZNRWVLUNJ-UHFFFAOYSA-N 426.539 0.971 50 20 ICGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729615097 XEBCARXOVCLIEL-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD CN(Cc1ccccc1Br)C(=O)CCNC(=O)NNC(=O)C(=O)NC1CC1 732469703 NRUNKQSKEVNCQE-UHFFFAOYSA-N 440.298 0.407 50 20 ICGD CN(C)CC(=O)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 733359738 ZNXGIYAOYJSPAM-UHFFFAOYSA-N 428.511 0.006 50 20 ICGD O=C(C[C@H](C(=O)NN=Cc1ccc(O)cc1)N1CCOCC1)NN=Cc1ccc(O)cc1 741765983 HBZBMKVBKDQAKO-HXUWFJFHSA-N 439.472 0.789 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 742036982 SNRBYJTXEGRDLL-AAEUAGOBSA-N 441.485 0.458 50 20 ICGD O=C(NNc1ncnc2[nH]cnc12)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 743472669 BBVSDVBIIPGRGO-UHFFFAOYSA-N 426.462 0.657 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1S(=O)(=O)N(C)C 744553329 IDFXUCISFMDIGH-UHFFFAOYSA-N 449.485 0.872 50 20 ICGD C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2N1C 749865882 WIRJFXPVGIXZHD-GFCCVEGCSA-N 445.501 0.789 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)c1 750368188 YVPKJDPNCNKJRV-UHFFFAOYSA-N 438.440 0.244 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 753646176 OBVKHOJCAOEHKN-UHFFFAOYSA-N 449.872 0.870 50 20 ICGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 756706269 LQWQFSJZDRUAKN-UHFFFAOYSA-N 433.494 0.917 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834628 HQODKNNLLBMXLR-UHFFFAOYSA-N 425.449 0.619 50 20 ICGD COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 756914428 PPXYYAANDASPPK-OAHLLOKOSA-N 436.432 0.420 50 20 ICGD CCCc1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccccc1Cl 758036579 SKDQZYSJHKPYNU-SNVBAGLBSA-N 428.902 0.572 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763205797 GBUBDKJRJXXPCB-UHFFFAOYSA-N 447.354 0.523 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763844106 UWDJOGWTFPGKAB-UHFFFAOYSA-N 432.408 0.458 50 20 ICGD CN(CC(=O)NNC(=O)CSc1ccccc1O)C1=NS(=O)(=O)c2ccccc21 764046074 HDIGANQSBHOXIK-UHFFFAOYSA-N 434.499 0.713 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2cccc3ccccc23)cn1 764052744 WQIMFLJVZOPLOS-UHFFFAOYSA-N 438.444 0.199 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764165405 YNSMPJJVEHZUDT-MRXNPFEDSA-N 431.412 0.537 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc2O1 764292990 JUUPXTKYODHWNO-QGZVFWFLSA-N 442.476 0.199 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1 764359459 TVUOIWJXXSTVTQ-UHFFFAOYSA-N 443.201 0.433 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 764397445 JYPIRWZPKNIKAL-HNNXBMFYSA-N 435.525 0.354 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 764398260 QSBKJMLCBOVCLV-CQSZACIVSA-N 427.461 0.739 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cn1cnc2ccccc21 764533272 KDQSMYZSZBZVQL-ZDUSSCGKSA-N 426.458 0.422 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cnc2n(C)c1=O 765606908 ISOFVSPRBYCKEK-UHFFFAOYSA-N 437.391 0.236 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3c(C)c(C)sc3=O)CC2)cc1 765749786 TXJVJBKWJTZKAF-UHFFFAOYSA-N 431.562 0.800 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2coc(C3CCOCC3)n2)ccc1Cl 767428259 AYMRWNMTQBGWFM-UHFFFAOYSA-N 428.854 0.944 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 771852517 YBKIINRNUQVROC-HZSPNIEDSA-N 441.506 0.587 50 20 ICGD CN1CCN(C(=O)NNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 773659520 UZJPLWKNYJKFKF-UHFFFAOYSA-N 433.328 0.352 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775706907 JPCKEWZZROFXAQ-CJNGLKHVSA-N 425.401 0.430 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 776078030 SGVMLAVYIKKYDY-HNAYVOBHSA-N 425.507 0.749 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1 776346188 FZWVDLGBIVSXDK-IRXDYDNUSA-N 438.550 0.264 50 20 ICGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC(C)C)cn3)cc2C1 783264417 PBBXMSCZSUDJIR-MRXNPFEDSA-N 447.517 0.964 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)ccc1OC(C)C 786692403 HODXJXOIJCVHAD-UHFFFAOYSA-N 427.461 0.888 50 20 ICGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1OC 797368901 IMEBRCBBBNARDA-UHFFFAOYSA-N 448.407 0.855 50 20 ICGD C[S@@](=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 797921655 LMANNSHMBCBJRO-NOVUIFNWSA-N 432.454 0.497 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 801109045 UFTTZYAYMKPTET-UHFFFAOYSA-N 445.501 0.577 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 815751874 RYTMYSJKNMTTFL-UHFFFAOYSA-N 446.489 0.209 50 20 ICGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3c2ccc(Cl)c3Cl)c(=O)n(C)c1=O 914695094 DZADZUFDEUZSIT-UHFFFAOYSA-N 443.272 0.351 50 20 ICGD COc1ccc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 915883930 RMDQDSDLPRSRDP-UHFFFAOYSA-N 448.549 0.895 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCN(C(C)C)CC2)cc1 915896789 BZSYNQRTZWWDLP-UHFFFAOYSA-N 425.555 0.819 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2ccc3c(c2)OCO3)cc1 915933209 HQJYZHQFYPXXTF-UHFFFAOYSA-N 448.501 0.917 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)NCC1CC1 920860216 SDQSDFVEMCUPQF-CQSZACIVSA-N 430.914 0.614 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3cncn3-c3ccccc3)cc2C1=O 1317772449 PMIUOAFEJFSNKS-UHFFFAOYSA-N 425.426 0.721 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)[C@H](F)Cl 1778023380 ZLRRWLVBRMMSOQ-BTJLNZGRSA-N 426.836 0.080 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1778786755 IGXDBWPSRNLOJN-LYRGGWFBSA-N 426.297 0.117 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032715 WMPMNMPMGOXVJA-ZHRRBRCNSA-N 427.505 0.897 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779034900 WJYJUBIKWBWHBW-XCGNWRKASA-N 429.521 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779469383 HPPBMIZVMBPTFK-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1781230600 VZCBZNVQDKICEG-IAGOWNOFSA-N 431.276 0.855 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1781492635 QWSPCMOHBTZYTB-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782466043 VGALEFBPSMADBU-NRFANRHFSA-N 446.483 0.290 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1783877033 ZOPAMDVYDQGNBQ-IFXJQAMLSA-N 425.869 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1783939441 FXLGDNPCQKRUKO-UXHICEINSA-N 428.480 0.935 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1783974954 XHPXEVYGLCASNG-CYDGBPFRSA-N 446.371 0.908 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1O 1784084579 YJZMYFWTAFOOKH-DNUAJFIVSA-N 426.897 0.523 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1N(C)C 1784092350 HXNYFDXYWFYSMT-MRHSLFKSSA-N 439.940 0.954 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784386823 KFYTYKBPKBXVOC-NHYWBVRUSA-N 432.344 0.758 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407767 ULYXKKKGUKQLHH-YDHLFZDLSA-N 426.311 0.973 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979372 AZJUMNPHSZBOIO-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786980848 ADIHRWKVGDHKSS-JBACZVJFSA-N 433.273 0.145 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788147426 FTYZOYLZAYRQSQ-KANFNMMFSA-N 449.935 0.612 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789297396 YLXPPVSISVYQLH-MNXVOIDGSA-N 427.299 0.537 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)sc1C 1791290619 CIUTYZOJYSENKH-JYJNAYRXSA-N 437.566 0.726 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H](N)C(N)=O)CCC2)cc1 1791600126 QECDALUJSZUEKY-MRXNPFEDSA-N 432.525 0.086 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2)c1ccc(B(O)O)cc1 1795734577 WTKCEEJARXFHJH-REPLKXPHSA-N 436.273 0.590 50 20 ICGD Cc1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(C)s1 1796190865 VCRKAMGHTSCEAB-BCDXTJNWSA-N 427.335 0.934 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799073116 VVPKNGGFIFUEKB-ZMJPVWNMSA-N 430.889 0.016 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800641339 ZAFPBWSXSAYGGY-YVECIDJPSA-N 437.298 0.501 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 1800866472 UAHQWBSRUNKCIR-NIFZNCRKSA-N 433.933 0.743 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807370373 CBTKGTWLHYCJDX-DENIHFKCSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374244 GEZVIQCKUBPULC-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1808253467 ZTWONWPWLKTMBF-YWZLYKJASA-N 448.487 0.366 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cn[nH]c2)[C@H]1c1cccnc1 1808607212 LPIMPGVRQGBCOC-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302154 HDUFMUPHZVBKJV-ZYSHUDEJSA-N 439.520 0.398 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813029912 BJMWKVBJZCESHY-NEWSRXKRSA-N 445.712 0.335 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814848271 SOTXGMVJMYQBTK-PZSREKOKSA-N 430.339 0.422 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350530 XFXFKZCTWUEIHF-FABXCBLPSA-N 431.323 0.456 50 20 ICGD N[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccccn1 1817331391 FSLVBWHGCZFOGN-AZUAARDMSA-N 448.292 0.490 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470458 RMSPWJUXHHHFSJ-KSSFIOAISA-N 426.282 0.987 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848504 NKQRRXIXPUGPEC-CQSZACIVSA-N 445.480 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1 1819403248 ATHCPADGADFHFI-CYBMUJFWSA-N 440.420 0.722 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n(C)n1 1825920354 IQSWUCHEPPGWNQ-HXUWFJFHSA-N 438.337 0.955 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1830180413 VSXAHLLYPSGUIL-IFMALSPDSA-N 441.381 0.942 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312481 OINHZCAJDWAUPB-RHSMWYFYSA-N 426.949 0.086 50 20 ICGD CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1C(=O)O 1833606406 HOKWVUVWCLXQCG-KSSFIOAISA-N 446.863 0.767 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834823781 KHHYEFQAMXKYEI-WCQYABFASA-N 446.111 0.918 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193868 NYIMVTQYCZAPJC-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnsn3)CC2)CC1 1837294953 KNLDCKYTEWVHIH-UHFFFAOYSA-N 444.322 0.144 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447245 WEOBONMFWFJEMI-TZPTYAJZSA-N 445.358 0.698 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)nn1C 1838279472 CJFTXWCXPXSBMO-HNAYVOBHSA-N 428.917 0.306 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032249 SKBLOLULNDKDRL-HWPZZCPQSA-N 431.287 0.419 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C)C1)NC(=O)NCc1ccccc1 1841771152 NGGMTSSFQMPKCM-IBGZPJMESA-N 442.564 0.630 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccnc3ncccc13)C2 1844264963 CXAVFDOXRCVGAV-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 21968249 LEVICYIGIMOYPD-LBPRGKRZSA-N 434.449 0.869 50 20 ICGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)ccc2c1=O 725902018 FJURQCCQLJSYAX-UHFFFAOYSA-N 427.442 0.655 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 728957612 YGXVKSSASPGRPI-UHFFFAOYSA-N 443.489 0.248 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1 733041459 WLTIXJZWTZTFNE-UHFFFAOYSA-N 438.481 0.512 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 741686351 GESKYRQMIRAJMN-UHFFFAOYSA-N 446.533 0.594 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCn2cnc3sccc3c2=O)c1 744543378 UWWNWPSXHWLZFU-UHFFFAOYSA-N 425.426 0.724 50 20 ICGD CCN(CC)CCO[C@@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 747490933 DBEIDYSJJRMQDW-OAHLLOKOSA-N 440.570 0.767 50 20 ICGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1nnc(O)c2ccccc12 749220246 KNXFLBYJBGUDEV-UHFFFAOYSA-N 449.471 0.628 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccccc2N2CCOCC2)cc1 751291581 XSGNQWCFIALXHE-UHFFFAOYSA-N 446.529 0.913 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)N[C@H](C)C2CC2)cc1 751618386 MMZJDENJFKNEFL-LLVKDONJSA-N 427.552 0.559 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756032242 QWSLGWZSLGTIPK-GTMGWDBPSA-N 441.510 0.704 50 20 ICGD CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCCCC1=O 756576585 PLTNZZSHUBSJRW-YJBOKZPZSA-N 447.488 0.944 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)CCOc3ccccc32)n1 761955607 ASSNFRKNNMYKMD-UHFFFAOYSA-N 432.458 0.500 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1F)N[C@H]1CCS(=O)(=O)C1 762058681 BCIHLKGZQXMDLF-QMMMGPOBSA-N 441.222 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)cc1OC 763552245 XSOJRYVVFDGWBG-UHFFFAOYSA-N 428.380 0.823 50 20 ICGD O=C1CCc2cc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2N1 763572579 SGDDQCRNYATSMZ-INIZCTEOSA-N 428.376 0.636 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc21 763682588 XBXFRGFPYPXHNB-UHFFFAOYSA-N 436.428 0.719 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1-n1cnnn1 763871121 DUNLQSPXZSWKJV-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764285669 JHJSKIWUBKFKJI-UHFFFAOYSA-N 438.238 0.678 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 764423861 DCSLVCLWLZVAPL-CQSZACIVSA-N 447.835 0.489 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 764519200 NPRMQGDOWTWCSH-UHFFFAOYSA-N 441.001 0.478 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 765319684 HTWUETFGZUWXHR-OAQYLSRUSA-N 447.492 0.906 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C 769853216 FLFQJFCNKXCYIV-UHFFFAOYSA-N 439.860 0.821 50 20 ICGD CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 776844907 NDBHQGWHGNJIND-DZGCQCFKSA-N 430.469 0.863 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779491287 MNXNOSJYNWULFA-DYVFJYSZSA-N 443.504 0.623 50 20 ICGD Cn1cnc(-c2ccc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)n1 779935531 IZHAFRHXNRTFKW-UHFFFAOYSA-N 447.499 0.701 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1C(F)(F)F 782118158 VYADXOWAIKKYNY-UHFFFAOYSA-N 436.391 0.830 50 20 ICGD O=C(NNc1cncc(Cl)n1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 783266037 LIIJEIVACIAJQQ-AWEZNQCLSA-N 446.851 0.226 50 20 ICGD O=C(/C=C/c1ccc[nH]1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 783513362 BUVZXTKOOOTULT-UXBLZVDNSA-N 432.502 0.829 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785059987 FRAAAGHFXCJODI-UHFFFAOYSA-N 439.428 0.605 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 786675195 GMZNWNYHWHERQZ-KZIRBZLESA-N 425.441 0.900 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n[nH]2)C1 786739923 KNGZZZBSGVVZDQ-VXGBXAGGSA-N 441.510 0.330 50 20 ICGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 792807160 YHGKRTVXSJRQGV-UHFFFAOYSA-N 433.490 0.629 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 793022218 QVDJTDROFRXLLV-UHFFFAOYSA-N 439.226 0.957 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 794716972 JNBLKGQTFMVQNQ-UHFFFAOYSA-N 431.474 0.746 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807952413 HTFYSGSIKHYDFD-UHFFFAOYSA-N 427.483 0.839 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 811790388 JZXCIUJXTKGOJK-LBPRGKRZSA-N 442.384 0.713 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 812948242 JFZYVIHHLVLMHS-UHFFFAOYSA-N 437.526 0.614 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)cc1 813033663 FHDQXSAVNNOMRB-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cc1nccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 814361501 XVYZMELPHNYXIS-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2O1 815691675 XTZQEEYGFKDDER-GFCCVEGCSA-N 428.449 0.914 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 815692613 WAONMBCDPAMSPF-NSHDSACASA-N 428.840 0.466 50 20 ICGD O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CC[C@@H](B(O)O)C1 864232560 BHHDGGSBTBRSKC-LLVKDONJSA-N 431.117 0.923 50 20 ICGD Cc1ccc2ncc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)c(=O)n2c1 912893929 ZAAZPWLYSMZHDD-UHFFFAOYSA-N 434.500 0.976 50 20 ICGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)no1 912919572 PBBWONOZRKRWIL-HZSPNIEDSA-N 427.527 0.690 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 913416553 KNNQDKVZXCEEJE-QGZVFWFLSA-N 433.442 0.155 50 20 ICGD O=C(NCc1ccccc1CN1CCCC1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913462955 JYWZOVRIHVMCFV-UHFFFAOYSA-N 434.460 0.929 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)n1cncn1 914603816 VYPSWTRFKOTBIR-CQSZACIVSA-N 428.474 0.779 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n2nnnc2C)c1 915684886 KDHDFWPJISJGJE-VQIMIIECSA-N 438.444 0.761 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)C(=O)NC2CC2)cc1 915901296 DCKKXAGPWKNXLA-GFCCVEGCSA-N 425.511 0.387 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1F 916272494 YHWYVCLIMDPMRZ-UHFFFAOYSA-N 440.435 0.755 50 20 ICGD Cc1nccn1-c1ccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 918113404 ZPOIQYYACMZSKC-UHFFFAOYSA-N 432.444 0.967 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C[C@@H](C)O[C@H](C)C1 920275691 HFJCYYQLJNQDEV-RKVPGOIHSA-N 440.566 0.832 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1cccc2ncccc12 1116007402 ISJQWLHVHJQGFO-UHFFFAOYSA-N 441.473 0.817 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1116475704 CVWDLVHGUOJNDP-ACJLOTCBSA-N 427.479 0.141 50 20 ICGD COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318962515 NBDIZELSIGZXBI-UHFFFAOYSA-N 427.433 0.990 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779476039 CCPRDAJNILFTMU-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057588 AGQRHSNHGXYLBO-XOBRGWDASA-N 433.896 0.941 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781224423 KACLIUHVEIZAJT-RTBURBONSA-N 443.331 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1783933601 AYSCLCVQBSXEQK-QGZVFWFLSA-N 434.459 0.922 50 20 ICGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]4C3)cc2C1 1787449098 BVKXPKFEAXJLQU-CSFVBSKPSA-N 427.908 0.846 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ccccn34)[C@H]2C1 1787942743 VRVGQGAACVTVQX-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788614738 WSAFIHXEUMEDMN-KKUMJFAQSA-N 430.647 0.302 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)COCCO)CCC2)cc1 1789521681 CWXNCCCQPIMXKR-UHFFFAOYSA-N 427.461 0.442 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc(OC)c1C 1792983050 ACSNCCCLWJVDCG-KRXQYRFLSA-N 426.897 0.815 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)COC1)C2 1793879730 MGEKUYWDMZPCLR-XGUBFFRZSA-N 445.944 0.745 50 20 ICGD COc1ncccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794365914 CWEUEEFPBCSDHM-ACDBMABISA-N 437.305 0.655 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n(C(F)F)n1 1796191988 XSKGSGAMEHTAEH-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cc(Cl)ccn1)c1cccc(B(O)O)c1 1798584864 RLSINPGNEAEUHB-BCDXTJNWSA-N 443.696 0.746 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800759525 UHAUACUPNGUMFW-ISZBWXFQSA-N 432.315 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3F)CC1)C2 1801014154 IOKXVXHOJSHGHF-VPTLXERWSA-N 446.523 0.820 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802010298 NBMKMEXXOGKPCS-HBCWATKFSA-N 445.428 0.702 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)COC1 1807363909 DGMNWYQYCRNYRZ-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807374478 HNJCYCXZNHOOAW-GCJKJVERSA-N 447.304 0.355 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1811471627 KWXKAHDDHBLKKU-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1F)CC2)c1cccc(B(O)O)c1 1815356775 QXFYJXZHYRGEFJ-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)o1 1820575516 PBLKBQSXKDWQBK-CQSZACIVSA-N 440.290 0.967 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824469258 SZGSTQMSJULZJC-SLZMIMFISA-N 442.306 0.089 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829363135 NFXJUEXMLBLPJL-QGZVFWFLSA-N 427.266 0.607 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830532931 BBOFEIWWNDZMHO-QIIPPGSGSA-N 448.358 0.389 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n[nH]1 1830543618 WNKLORHZEHYJKE-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736642 VTBNZWAFJOXELK-KXBFYZLASA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832416309 XQKXZSMCCDMNSX-GHTZIAJQSA-N 445.988 0.817 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122283 LBCRQWXHUVADHZ-KBPBESRZSA-N 443.386 0.868 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1833263479 RIQPDQFHBCVPMU-LBPRGKRZSA-N 442.358 0.465 50 20 ICGD CN(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nc1 1833308629 YSPQFQPFIGOMAO-LJQANCHMSA-N 437.972 0.933 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)nn1C 1834115281 LCODKBYHEIODFP-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC=CCC1 1835940121 UVIACJKJPKNLEI-XZOQPEGZSA-N 442.321 0.183 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837000985 HXUFBZNRTHWHON-NRFANRHFSA-N 443.353 0.073 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)on1 1837710432 YSUZDBKLRYUKJA-IBGZPJMESA-N 425.558 0.833 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1838531625 VUKMDKHFNSXNFN-GOSISDBHSA-N 442.310 0.240 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839152323 WAYATBNBTDWZJU-SJORKVTESA-N 435.308 0.613 50 20 ICGD CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)co1 1839201211 ZMLLCKDJHIFOLS-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839963678 RMUUNFRUUZMLIS-ZBEGNZNMSA-N 447.355 0.969 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839967461 MZYFZXDKNYBANO-KSSFIOAISA-N 443.342 0.972 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840030949 BBIJHXYCEQGHAR-CXAGYDPISA-N 429.315 0.582 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840032680 HFGISZAEDCLDOR-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605877 DJGKJAFNCOCXQT-AZSHCRGASA-N 431.327 0.366 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cn2ccc3c(F)cccc32)C1 1841321576 DAYBAJGHLHFVQT-UHFFFAOYSA-N 435.264 0.977 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1844692859 SJESDRONJNCSFI-UHFFFAOYSA-N 441.400 0.734 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2NC1=O 1844728572 IUTLXLSDZUFORT-AWEZNQCLSA-N 449.272 0.217 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2C)C1 1845238250 CULMTBOUFJPRGY-INIZCTEOSA-N 444.444 0.958 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccnc1N1CCOCC1 14369317 VOLXCPDHNVBSBU-UHFFFAOYSA-N 432.506 0.595 50 20 ICGD CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14841533 ANDWRFUHZWUIGI-PDGQHHTCSA-N 430.486 0.875 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 21875123 DRNFOWUCPNMPCT-HNNXBMFYSA-N 447.469 0.947 50 20 ICGD O=C(CCCCCNC(=O)NC1CCCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 734428338 OUCLKSZZOPKLME-HNNXBMFYSA-N 431.559 0.696 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 735116614 AEJJMFXFLCMWJD-UHFFFAOYSA-N 446.489 0.106 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 736833655 KZUJGAKBAKEQRI-PXAZEXFGSA-N 439.538 0.905 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc(OC)c1OC 743506110 KZIMMPFRSINWBP-SMDDNHRTSA-N 446.464 0.584 50 20 ICGD CC1CCC(NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)CC1 744394904 MMZVVCYDQDBSEW-UHFFFAOYSA-N 440.548 0.632 50 20 ICGD CC(C)(C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 746239334 IJLUUEDHTUZSKY-CQSZACIVSA-N 444.513 0.812 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 747325080 RHBFYMIMMGZGEH-KRWDZBQOSA-N 447.473 0.923 50 20 ICGD Cc1c(Br)cccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747608395 JPGSEGMFUFQLMZ-SECBINFHSA-N 426.314 0.437 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748246068 FECNMIBQKWCTGB-UHFFFAOYSA-N 444.513 0.857 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCSCC1 750827993 HOZHIBLYWZNWDZ-CQSZACIVSA-N 426.564 0.669 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)COc3ccccc3O)CC2=O)c1 752415731 FXYBBIAJZWYBKN-ZDUSSCGKSA-N 429.429 0.989 50 20 ICGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 753016248 GTLCMCWXZWRIKK-UHFFFAOYSA-N 445.453 0.708 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 756184330 ACYFRHAXSKNONO-VIFPVBQESA-N 434.400 0.982 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1C(N)=O 763439759 QZABQBIHBZVMAV-UHFFFAOYSA-N 430.483 0.409 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1N1CCOCC1 763557489 BOMPCBJSGPQJCP-UHFFFAOYSA-N 426.429 0.960 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1-n1cnnn1 763873876 XQBUTMLXNHSZQB-NSHDSACASA-N 443.395 0.363 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1O 764130201 CWJAVPRXYRUPGA-STQMWFEESA-N 443.460 0.809 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cn2)C[C@@H](C)O1 764169336 VEBPUPGRSSKMEE-QWQRMKEZSA-N 439.472 0.785 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764177945 YXCJDENWBNZELU-UHFFFAOYSA-N 429.458 0.645 50 20 ICGD CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764434959 TUYNIQORINWDNX-INIZCTEOSA-N 429.477 0.730 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 768411151 XUQXALCNARKSQS-UHFFFAOYSA-N 440.416 0.736 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(F)ccc1Br 770173969 JFVJMXPZKOPNAL-UHFFFAOYSA-N 426.264 0.305 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771606857 JKKAOYWBIGIRQO-UHFFFAOYSA-N 441.849 0.429 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)O1 774769739 AORQJCVMRZOUNT-ZIAGYGMSSA-N 443.298 0.794 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 775849302 LGDYFGPRNQFLHS-HNNXBMFYSA-N 437.453 0.581 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776173198 MXZNBRGSBJDNES-UHFFFAOYSA-N 429.437 0.815 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 778613043 GCOQLBKBQRYAQR-UHFFFAOYSA-N 448.524 0.429 50 20 ICGD COc1cccc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 780771867 GBKGMFDUOKSQQF-UHFFFAOYSA-N 447.517 0.847 50 20 ICGD CCNC(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 780848323 CFXCURKBJRWHNI-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)c2)CC1 782118729 ZPZBXWSWEYPIRW-UHFFFAOYSA-N 441.463 0.823 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1cn3ccccc3n1)NC(=O)CC2 785059972 FFHQMVKPILEXTI-UHFFFAOYSA-N 436.428 0.556 50 20 ICGD Cc1csc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1I 787995419 IGOBYGDGIOQFQA-ZCFIWIBFSA-N 431.277 0.360 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2CC1 790045340 LYHQRGIHEAGBIZ-FQEVSTJZSA-N 445.497 0.783 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(c2cccnc2)=NO1 790697851 SSCMBQNSUHWXJQ-KRWDZBQOSA-N 431.474 0.739 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)C[C@@H](C)[C@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 791133334 SBKXHOKQHTYCNT-LGFNAOKASA-N 444.444 0.943 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 795152857 WKCREFZTVFJBND-UHFFFAOYSA-N 426.520 0.944 50 20 ICGD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799258740 KUTDOPPAXJKORP-UHFFFAOYSA-N 445.443 0.771 50 20 ICGD Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 806471113 FGAZUAONDNWZHJ-MBNYWOFBSA-N 433.494 0.817 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 806976762 LTVDBSMEKQIOIL-UHFFFAOYSA-N 446.803 0.842 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 807540665 BGMOQUSWGBBRQG-CYBMUJFWSA-N 435.359 0.567 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)CN1CCCC1=O 819937449 GEYJNDRJZYMRQR-AWEZNQCLSA-N 435.506 0.054 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cncn2)c1 849200964 WXTBNMWLEBTVDM-UHFFFAOYSA-N 430.446 0.549 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 912919845 REKABUONFCYXFM-STXHMFSFSA-N 429.521 0.862 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 915787125 XWPKJWRYVCMDRV-GFCCVEGCSA-N 425.438 0.728 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccc(Br)cc2)c1 916041297 FIUZKRUQJJCEGL-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)ccc1OCC(=O)N1CCOCC1 916365003 ZAZVPQNHLHXALM-QGZVFWFLSA-N 448.520 0.351 50 20 ICGD CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916365040 ZLVBAPRCLRREGQ-MRXNPFEDSA-N 438.550 0.516 50 20 ICGD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)c1csc(N2CCOCC2)n1 916577936 MWQPCFQYBQSMIH-LLVKDONJSA-N 436.460 0.808 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c1 920286868 VMVTWSVSRGRLEV-UHFFFAOYSA-N 430.442 0.323 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1319721290 SCELZFXXASNYOC-UHFFFAOYSA-N 449.533 0.965 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@H]2CCOC2)CC1)C1CCN(c2ncccn2)CC1 1320038381 REDDDNWMHYDGMX-INIZCTEOSA-N 432.525 0.951 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1321034766 FLGVNVUWIAZRST-LBPRGKRZSA-N 442.501 0.997 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 1338722744 WEHRMZHENHLUTG-ZDUSSCGKSA-N 428.470 0.969 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778661272 QJJMPSGMXRZQJK-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)no1 1783533868 AKMSSSNROGEJGQ-SJKOYZFVSA-N 443.298 0.925 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783873086 KHHPOKBCLBASDD-KUHUBIRLSA-N 426.901 0.218 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784918249 JTCLNXOSUUKSRR-MMWGEVLESA-N 448.797 0.575 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979844 SZASZHDPXPTNJS-QRFRQXIXSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc[nH]c2nccc1-2 1787326444 CFFNARNITOJNID-YSSFQJQWSA-N 448.288 0.101 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 1787508860 MXSJCAUCTJPNKP-VJLHRWHASA-N 437.447 0.755 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1F 1789518582 KBQXTRNHOUXQBQ-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791063187 COHWBAZQFXDKCE-CYDGBPFRSA-N 435.388 0.234 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC4(CCC4)C3)[C@H]2C1 1791832513 MFQAUTKAIXPJDN-JVPBZIDWSA-N 441.532 0.859 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983134 FRPIYTOULNYPDE-DGADGQDISA-N 443.928 0.092 50 20 ICGD C[C@@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1793930133 IIBXWIIPONOQJZ-WMEBDMIVSA-N 429.399 0.250 50 20 ICGD O=C(CNC(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190881 XMXKZTAKZBSGDP-BJWYYQGGSA-N 441.318 0.110 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403781 UGTFMUUXNKMSRG-MMWGEVLESA-N 430.259 0.552 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800641337 ZAFPBWSXSAYGGY-RNJOBUHISA-N 437.298 0.501 50 20 ICGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1800839136 CLFAHEKKKVOXAC-XEMDLRDOSA-N 446.617 0.497 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1802546704 JNXLMSRHSCOUCT-WFXMLNOXSA-N 446.552 0.375 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340913 QVFUBXQHFFXPHJ-CPUCHLNUSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366502 ZLJQMQMXWQMDNU-UWJYYQICSA-N 448.263 0.929 50 20 ICGD C[C@](O)(C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(F)(F)F 1809977814 JPHBPNSNRKWGFH-SFHVURJKSA-N 442.243 0.525 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2CC(=O)C2)[C@@H]1c1cccnc1 1814083602 ODVBMPBFDXRPQG-LIRRHRJNSA-N 436.472 0.379 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815355476 SZPFDDHYJCASII-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD N[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccccn1 1817332902 XVHKARMLVUQXSJ-ICSRJNTNSA-N 448.292 0.490 50 20 ICGD N[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)c1ccccn1 1817475357 OKMIBTCPTCVDQR-QUCCMNQESA-N 448.292 0.490 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416286 ZRLYPEGSUFGYEM-JGVYIQDASA-N 440.570 0.934 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824788788 JWTNTYBDGSQTQQ-RTWAWAEBSA-N 427.354 0.694 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085784 CTDVFNICTZZVGJ-DGCLKSJQSA-N 438.554 0.295 50 20 ICGD CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1826947256 RNBMBHWNWZHAAB-DLBZAZTESA-N 439.557 0.042 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1827055306 UCMSWRTVBVJSBK-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827236705 QNYPBLWGBUKVIY-GOSISDBHSA-N 440.508 0.210 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896514 KUTMIHDRTXCIHF-RDTXWAMCSA-N 432.359 0.568 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1830724675 APBXUCDADUOCHF-AXHMDWHKSA-N 446.928 0.022 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831452082 MQJBPAGKZQYQQA-RLFYNMQTSA-N 438.974 0.531 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831647208 SGCJSYSFNAYHDS-UZLBHIALSA-N 425.913 0.712 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831691100 XOEPSBOFAXFWLI-SFHVURJKSA-N 448.358 0.390 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1831938587 VRODEJFPVZLXDR-UYAOXDASSA-N 441.337 0.126 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1832006033 YQKYIFFKLJDHSN-NLDJYOPPSA-N 446.928 0.022 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832416310 XQKXZSMCCDMNSX-NQIIRXRSSA-N 445.988 0.817 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361468 SSTRIQQDYIQNMT-ULQDDVLXSA-N 445.402 0.454 50 20 ICGD COc1cnc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1836716938 ZAFXEPJPERTWLP-INIZCTEOSA-N 426.901 0.697 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1838533587 ZGWLVJNDJAJBEJ-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199314 NCGMVOPLWNYEGT-RDJZCZTQSA-N 445.289 0.556 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839202265 YSRYNSPBIOAAGS-XJKSGUPXSA-N 449.277 0.189 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)C1 1840183802 BCVXVGBFVQXAPK-FQEVSTJZSA-N 438.550 0.120 50 20 ICGD O=C(CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)N1CCCC1 1840186276 FIWQTAQTPUYQNN-SFHVURJKSA-N 436.336 0.649 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840488164 VFUXQMKYLKUHJV-YSCDTDAQSA-N 443.273 0.637 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845065018 ASZLAIHNJBQFQW-IHRRRGAJSA-N 430.933 0.045 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845219850 MIONPCSCSXUEOY-LBPRGKRZSA-N 431.218 0.650 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561467 GICIKJVQICAOOW-LSDHHAIUSA-N 440.342 0.834 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)NCc1ccccc1 1847540068 MPQUVFMQCKEYBG-YGEFIYNQSA-N 447.300 0.054 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(=O)N1CCc2ccccc21 726190808 ZYPSIEWYVHBWAT-UHFFFAOYSA-N 444.517 0.821 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710675 NCBOXKZTIRVGIR-UHFFFAOYSA-N 445.455 0.064 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 726710887 XCDAITHAOQLVMP-UHFFFAOYSA-N 442.436 0.068 50 20 ICGD O=C(NNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 728269477 NTQDOYMCPFYRPE-GFCCVEGCSA-N 448.423 0.963 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 730091686 UATCHOLHZNTXSY-UHFFFAOYSA-N 431.518 0.689 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(Br)c2)c1 730165548 JFKHMANZLWAZOC-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936040 BHVCEJGYARCGOO-MRXNPFEDSA-N 433.446 0.533 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1 733774995 VZJONTHVRQMGHK-UHFFFAOYSA-N 441.469 0.767 50 20 ICGD Cn1nc(SCC(=O)NN=C(CC2CCCCC2)c2ncccn2)c(=O)n(C)c1=O 733907365 NRFUWHKNIHOYOJ-UHFFFAOYSA-N 431.522 0.852 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C1CCN(S(C)(=O)=O)CC1 734250862 MRIAJDXNFMNKEV-UHFFFAOYSA-N 432.568 0.878 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 743335042 KYWCDKILVKOWGP-UXOAXIEHSA-N 443.428 0.679 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 744737847 WYVDSRKKFZBYEO-QGZVFWFLSA-N 427.461 0.790 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1C 745484242 UUDHPNXAZSLEOZ-LMCLETFFSA-N 449.485 0.086 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 746607817 MPRPAYMQDGFXHZ-OAQYLSRUSA-N 429.477 0.438 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)cnc21 748834795 QRZUSMFWWCDTAS-UHFFFAOYSA-N 430.371 0.961 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(Br)cn2ccnc12 750243657 KOHUKHIZANGZII-FUAUIPCOSA-N 435.238 0.097 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@H]1CC(=O)N(C2CC2)C1 750655671 PJTBZDRMJULTTA-HNNXBMFYSA-N 449.533 0.569 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 753841493 STWWGDNMPIWUJB-UHFFFAOYSA-N 443.412 0.929 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc3ccccc3O1)OCO2 753842159 YYGNFODHJYKETJ-INIZCTEOSA-N 427.369 0.292 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)nc21 755898482 MKHLSOKBDONGSU-UHFFFAOYSA-N 426.503 0.288 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c2ccccc2O1 763838901 BHNQJUGEGAXHOZ-INIZCTEOSA-N 431.376 0.319 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cnc(N(C)C)nc2)c1 764233312 WVJOJQUTDTXBBA-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 764398959 IXOPIAUUEPTYIM-JTQLQIEISA-N 426.376 0.974 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764404347 IWIFQZAVWPSPQQ-UHFFFAOYSA-N 438.487 0.179 50 20 ICGD COC(=O)CCCN1CCC(=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 764816824 DDNFQVXBPZEUJD-UHFFFAOYSA-N 443.548 0.966 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@H]1CCCO1 765119431 QGZIJRAWSKLMGM-MRXNPFEDSA-N 430.958 0.587 50 20 ICGD Cn1ccnc(NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1=O 771598334 BLYLWVJQXRNQIJ-KRWDZBQOSA-N 449.265 0.453 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F 784005327 VLMUXCSKQNBQOW-UHFFFAOYSA-N 444.448 0.648 50 20 ICGD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 789750070 AXCZAYNNUBABGD-QGZVFWFLSA-N 427.433 0.502 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)nc1 790955592 ZSCJLNQVNWMGEB-UHFFFAOYSA-N 446.489 0.587 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c(C)c1 792854293 IUSICOALPRGWAR-INIZCTEOSA-N 431.580 0.773 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Oc3ccccc3)cn2)n(C)c1=O 799422088 BKGZDDQFKFOONK-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Br)cc2)cn1 801995384 HWAAXJDIBNZXIB-UHFFFAOYSA-N 431.272 0.314 50 20 ICGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1Br 806735430 ZRZKXEASJXMXJY-MRVPVSSYSA-N 433.284 0.396 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2ccccc2S(N)(=O)=O)cc(OC)c1OC 807606159 YADXSBOCWLHGHT-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD COCc1nc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cs1 812552198 VWPJITIBZNUKGY-UHFFFAOYSA-N 441.535 0.749 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 815779226 WJFDCMNHLZOOQO-MRXNPFEDSA-N 445.501 0.912 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 819657577 DOIVMFHCXKZIEO-KKUMJFAQSA-N 436.509 0.956 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1C 874083957 BZZVQBQVOAUUSE-UHFFFAOYSA-N 425.488 0.655 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(-n2cnnn2)c1 912642937 NRJWQAMKFMHTFC-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155479 XBSIJDZAEUAJIE-QBFSEMIESA-N 441.473 0.404 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 916550347 SONOIXUTVRPUSG-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1321052442 CEVFTZZMRLIVJJ-OAQYLSRUSA-N 436.509 0.702 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035610 JYGVAIIKHRZXPG-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780045211 LBOCATVRVZYHKM-KUHUBIRLSA-N 435.868 0.483 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330218 UFGMAUFUJZCHJU-WBMJQRKESA-N 426.246 0.863 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1781998280 QUECBEKBHSULCM-OGHNNQOOSA-N 430.347 0.124 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782634833 SRWBBMIROPXBSP-KRWDZBQOSA-N 427.299 0.730 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783571203 BOOLAQDZLKUGPI-SXGZJXTBSA-N 445.944 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1783933836 IDSPPMCLJBIPFR-QFIPXVFZSA-N 443.504 0.573 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788471077 FGXAMBBFOUHYIS-KRONUBCYSA-N 440.324 0.267 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1791255023 AILDZSGGOYVLFU-GVRJEKJASA-N 425.917 0.511 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791769457 DJLUFVZVMVBGMZ-AVGNSLFASA-N 425.345 0.186 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2)c1ccc(B(O)O)cc1 1795732487 LUNBFLSLOPAQEF-OPMZPASUSA-N 438.289 0.039 50 20 ICGD N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1796073455 MVQSMVWOYFUHPK-IYWMVGAKSA-N 441.724 0.972 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2 1797750679 NLCRDBZPTVNEHZ-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD COc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1F 1798440106 ANNDMUQVGQUIQU-CLLJXQQHSA-N 442.451 0.793 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1nn[nH]c1C(F)(F)F 1798711266 RVDSRBZIKMKTEJ-DIYOJNKTSA-N 440.220 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc21 1801112874 RRHYZJPAGBVMDG-HPNQWNLUSA-N 449.511 0.618 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523339 UALYIRUBOAXGEQ-HZPDHXFCSA-N 432.901 0.312 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1)[C@@H]1SC(=N)NC1=O 1805523604 QGVWXSJFOJSENV-AVGNSLFASA-N 430.958 0.620 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccns2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360575 CICGEVYVUBKFTI-VQIMIIECSA-N 436.302 0.851 50 20 ICGD CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCO1 1807754595 YHGWVIMXGFOTGA-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1810299937 VPALEHPLIIRLOE-KXBFYZLASA-N 446.471 0.504 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(F)nc1 1810692812 QYCCQMHSOCACTG-UWJYYQICSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813031316 LPPOJYKRBHDNFV-GRDNDAEWSA-N 446.895 0.544 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1813074931 XEWIMWAWORBWGI-KBXCAEBGSA-N 429.481 0.203 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)c1cccc(B(O)O)c1 1815361643 MDEXKUAJBBIULT-ANQUJSFKSA-N 441.318 0.616 50 20 ICGD Cc1nn(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815410121 JCRHSPQDWUDCQE-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)c1cccc(B(O)O)c1 1817473364 OQUVSGZPNIFELO-INIZCTEOSA-N 436.237 0.205 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n[nH]1 1819496516 GGTZBMVCIZCRBZ-GOSISDBHSA-N 436.281 0.670 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820790270 RYTYCGJOAVESOL-IMJJTQAJSA-N 426.949 0.637 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824444955 JLLSXCPYTDTZNY-DOMZBBRYSA-N 430.339 0.389 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCBr)CC1 1826818928 ISELOUDKSXYLCN-GJZGRUSLSA-N 431.375 0.984 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050791 YNGGPXZGWGOYIN-HNAYVOBHSA-N 429.326 0.111 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055965 LJIYMCQRJCOTLA-NRFANRHFSA-N 438.337 0.956 50 20 ICGD CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)COC1 1828921736 ABWXENVRYAAYEF-GOSISDBHSA-N 429.521 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1828925213 IFJJPCMAOSGNQI-MSOLQXFVSA-N 442.520 0.197 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829657820 CEUSCTZDBKKEJP-HNAYVOBHSA-N 446.495 0.251 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831646483 KHXBWVDFOAHIDO-GJYPPUQNSA-N 444.985 0.877 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCOC2=O)CC1 1831870981 KVSNBYSPZHOQIZ-KRWDZBQOSA-N 437.541 0.431 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 1831872442 XTZXHYNONBCAOD-LJQANCHMSA-N 431.537 0.926 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1832551373 LFOUDGVABYLVKE-YWZLYKJASA-N 445.944 0.985 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833440257 VMFIQJSVHPTEEK-HNNXBMFYSA-N 431.375 0.868 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380820 IVUTWXMOZSIAOE-YOEHRIQHSA-N 429.315 0.371 50 20 ICGD CC(=O)O[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(C)C 1835646054 CVCMCGZUROUAFD-ZWKOTPCHSA-N 431.961 0.745 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714119 QICILYAHCDXVMZ-KRWDZBQOSA-N 431.961 0.891 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839152322 WAYATBNBTDWZJU-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571307 NIVRJKOKOIZVOQ-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840030794 WWCYKBDBETTWRO-GDLCADMTSA-N 447.248 0.540 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840034418 KGVRLKVTCPWUAZ-OUJBWJOFSA-N 446.111 0.917 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840153198 HDWVYBPCEYTDFP-FDXSTYLRSA-N 447.916 0.226 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c1Cl 1840188857 HBGXMNDNJTULMC-HNNXBMFYSA-N 425.700 0.947 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840743794 PBXIOGLGHAMWBS-LIRRHRJNSA-N 448.850 0.958 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(F)c1 1844264886 VTASOGNTOYAHPV-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 729626945 HCQBSPOROOJUEI-DLBZAZTESA-N 432.521 0.944 50 20 ICGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(Br)cc1Cl 731683551 FGMPWMXIDCOZMI-UHFFFAOYSA-N 427.708 0.986 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(OCC(N)=O)c(OC)c1 731751959 LXBZJFWEEHWSPT-UHFFFAOYSA-N 425.445 0.933 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 742503439 YXUUSXYRBQOOJA-UHFFFAOYSA-N 428.426 0.675 50 20 ICGD COc1cc(C(=O)NNC(=O)COc2ccccc2O)cc(NS(C)(=O)=O)c1OC 742654540 UZTZWOFLSQWADF-UHFFFAOYSA-N 439.446 0.621 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 744399649 VLDXCYOIPQPVIR-NRFANRHFSA-N 446.511 0.742 50 20 ICGD COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NNC(=O)C(=O)N1CCCC1 747593692 DHBPIFBNTRLANF-UHFFFAOYSA-N 425.873 0.938 50 20 ICGD Cc1cc(Br)ccc1NNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 748743155 DWHUDMNRTVMKGC-UHFFFAOYSA-N 430.284 0.606 50 20 ICGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 750644919 FJSXXOGFMXJIFS-OAHLLOKOSA-N 437.522 0.424 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(-n3cccc3)c2)n(C)c1=O 756336523 ZLXXWIWAEIRVOV-UHFFFAOYSA-N 436.432 0.077 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 756794307 CZIQTZANGGPFTL-UHFFFAOYSA-N 448.505 0.812 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)C(=O)Nc1ccccn1 758840484 OYYSCPMKMSVHIA-CQSZACIVSA-N 435.444 0.596 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccnn1Cc1ccccc1F 763572668 NLXICTXLXBTQBY-KRWDZBQOSA-N 439.403 0.996 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 763578250 NRSHMXVUOISKSM-KRWDZBQOSA-N 443.412 0.473 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 763682731 VBOKVVOQRFLQPW-UHFFFAOYSA-N 428.445 0.886 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763808383 ADCNTFGKMXXEOW-UHFFFAOYSA-N 449.485 0.580 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 763857031 JTNHUMQFGZVBFA-UHFFFAOYSA-N 437.456 0.964 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763865114 IPDIEXDRYSXOPS-PXAZEXFGSA-N 445.403 0.708 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccsc2)c2ccccc2O1 764033936 PRFQSDDWWHNHJJ-INIZCTEOSA-N 430.486 0.758 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227856 SCBLUCDOJMFKHR-SECBINFHSA-N 448.523 0.072 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 764399754 LPKIBIBKXJBOEK-CQSZACIVSA-N 434.493 0.887 50 20 ICGD COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764426144 TYIKCVHTLRIFGL-KRWDZBQOSA-N 442.428 0.449 50 20 ICGD CN(CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)c1cccs1 766640342 DLVMNUURVOEKEH-UHFFFAOYSA-N 443.529 0.426 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1ccccc1I 771275823 VMKUZLPHSYOHLR-UHFFFAOYSA-N 438.225 0.806 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 771958211 ODYLBLTXFDIPMG-ASSNKEHSSA-N 446.460 0.101 50 20 ICGD Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 773130129 BPEOTHRSDZBISU-CQSZACIVSA-N 443.489 0.777 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1F 773888303 FJUCTNFLJNVBFC-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COC(=O)c1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 774256014 QOBGIKBRQFQPGW-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 776843935 BJGUGZXOFVQQLU-XJKSGUPXSA-N 427.454 0.477 50 20 ICGD COC(=O)Cc1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 777758505 CBAVMMFTPNTVSH-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD O=C(CCN1C(=O)COc2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 777779453 LJWNFQSQNOQHGM-UHFFFAOYSA-N 446.323 0.629 50 20 ICGD CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1C[C@H](C)O[C@H](C)C1 777833111 RHZCVTXTAZCGOD-QLFBSQMISA-N 440.404 0.947 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n(C)c1 778437767 BBYAPARCQMKXSA-UHFFFAOYSA-N 431.515 0.341 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(OC)c1OC 782885317 JKMFWWZOLNWDOO-UHFFFAOYSA-N 441.444 0.928 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782894977 UEZRSSMCDBSIDB-UHFFFAOYSA-N 442.863 0.915 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)COc1ccc(F)cc1 785270023 BJKQZCFRENVJQN-UHFFFAOYSA-N 434.449 0.946 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 787135437 XOAIISUYONECOR-UHFFFAOYSA-N 434.478 0.870 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1N1CCNC1=O 787541060 KNZBDSGEPYIERM-KRWDZBQOSA-N 439.428 0.451 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)n2)CC1 787541069 LBCBNKXUSUBGED-UHFFFAOYSA-N 425.449 0.186 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 789875145 RFFXAXOVEWORBO-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)cc1F 793350849 QXLFTDOXGLNAEL-UHFFFAOYSA-N 434.409 0.520 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3ccncc3)ccc2F)CC1 801101725 LHVMHOLVSLDCGY-UHFFFAOYSA-N 449.464 0.148 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc(O)c(Cl)c1)C(F)(F)F 806564437 BVOBAUZPWIRYDI-JTQLQIEISA-N 432.808 0.812 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)n1 811024166 IQFMIRIPTXJALN-UHFFFAOYSA-N 445.885 0.715 50 20 ICGD CCCn1nc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c2ccccc2c1=O 814102584 PLRLLAFDHFRPOX-UHFFFAOYSA-N 436.490 0.161 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(Br)cc2)n1 814255698 ANATXWBXRFIQFB-JTQLQIEISA-N 427.280 0.831 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc(C(=O)OC)c1 815565138 DJNZBHXJGXVIJT-UHFFFAOYSA-N 433.392 0.924 50 20 ICGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816830257 XYSXVTZPUZWKDB-INIZCTEOSA-N 430.486 0.595 50 20 ICGD O=C(NNS(=O)(=O)c1cnc(O)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 821118579 BIZUPWFEQDMXER-UHFFFAOYSA-N 432.505 0.257 50 20 ICGD O=C(c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)N1CC[C@@H](B(O)O)C1 864232458 ASHYQYOAWCVAST-LLVKDONJSA-N 430.251 0.758 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)CCSc2nnnn2C)cc1 917906062 WDYUSOGAEUOUJS-UHFFFAOYSA-N 433.523 0.574 50 20 ICGD O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1317800497 UIDLWCVEEAUJIM-UHFFFAOYSA-N 445.457 0.561 50 20 ICGD CN(C)N(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 1347528380 UBALRBBNTSCRPU-QGZVFWFLSA-N 429.564 0.023 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1777854230 KEQWTUPCYMKIRW-SPLOXXLWSA-N 432.525 0.276 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778035262 DXZGESIGYSBAHV-QHCPKHFHSA-N 433.273 0.605 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)[C@H]1CCCS1(=O)=O 1781660176 IHSOXINPRLAHMO-XHBSWPGZSA-N 427.350 0.881 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782211817 AIRJABYODVOZND-DYESRHJHSA-N 432.525 0.286 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782775438 RZTHQPGXXQZTHH-SGSZHJQISA-N 441.492 0.155 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783262652 CMURWRCXQXRJKV-OAHLLOKOSA-N 435.500 0.180 50 20 ICGD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788533883 OKQPWSRJUHGOKZ-SDADXPQNSA-N 430.958 0.531 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)nn1C 1789921658 UPCISUZLUXFSKS-PCBIJLKTSA-N 431.306 0.941 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1790960498 MDTCBJJDOLZDHE-GVRJEKJASA-N 448.358 0.291 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1793314037 ZLLRJBRCRJUHPK-GUYIQFIESA-N 444.381 0.140 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2ccoc2c1 1796230251 VONVQUHMEBDPSW-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796587632 IRHVOEKGPUBMTP-FQLMCAECSA-N 443.342 0.906 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc(O)c1F)c1ccc(B(O)O)cc1 1800657464 NBXIZIAHCVEHOT-QDMKHBRRSA-N 430.216 0.916 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806697401 KPVQWQICSRHIJN-ZDUSSCGKSA-N 443.342 0.943 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369349 HHOUEJBXJYFMRW-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD N[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)c1ccccn1 1809790414 LSOOHWSEIHZKPF-FQEVSTJZSA-N 436.321 0.306 50 20 ICGD Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c(O)n1 1809971420 WNEMBPJKABGSDB-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1810302515 LMFYNVHKHYKMJO-OAFZBRQQSA-N 438.488 0.171 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069882 AQCGDLLQIMJIPJ-KHRHKGAFSA-N 445.520 0.580 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)cc21 1814869601 USUJCBCPTFGPHN-OCCSQVGLSA-N 435.872 0.255 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1816983455 TZKOIHYNICSBLF-UBHAPETDSA-N 429.955 0.681 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cnn(C)c3)sc2C1 1826948760 HBMAOEJKMGWGAN-CYBMUJFWSA-N 433.538 0.404 50 20 ICGD CN1CCC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827049080 JTCVERSEGNVGSN-QFIPXVFZSA-N 441.381 0.942 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055045 SJPATSFPEINWAG-DQLDELGASA-N 429.370 0.973 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830535839 ULXLONUCACFAIQ-KSSFIOAISA-N 443.342 0.679 50 20 ICGD O=C([C@@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249022 IERQFOCRMWKALM-PRHODGIISA-N 438.733 0.332 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@@H](O)CCl 1833312446 NIIKNYXXVRPHSW-LUJYGJGBSA-N 427.977 0.629 50 20 ICGD CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833490800 ZNVSGUCBYLPATE-FQEVSTJZSA-N 447.410 0.506 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833686374 FVVLJRZKTWEFPP-BFUOFWGJSA-N 444.891 0.750 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833950363 HKZAALYQYQTJPP-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833959048 JVBPZZLZKPZTDU-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD Cc1[nH]ccc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798612 QNWDPDISMOWKGC-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929532 UOSSNTJGURTENP-NRFANRHFSA-N 444.318 0.120 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cn1 1837712170 HACIFFQAWSNYBQ-IBGZPJMESA-N 438.557 0.407 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837813360 DQAAOPAJXXGGEH-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908496 CMYLGDZPZISZNC-QFIPXVFZSA-N 443.504 0.001 50 20 ICGD O=C(Cc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198197 WZRSJQHOWHMPRD-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD O=C(COc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199618 YKYDWIJPMAODEB-DOTOQJQBSA-N 446.273 0.607 50 20 ICGD C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839890829 WECFGXGVRHEHTE-SFHVURJKSA-N 432.468 0.027 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1 1840151695 LJDYELRISBZSCN-OXQOHEQNSA-N 425.913 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840153416 OBPLRSKKNCQGEZ-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421596 YDURVAYNKMUQRP-GRDNDAEWSA-N 444.330 0.469 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)c1cccc(Cl)c1)C2 1844263914 KSUCFRUYEBCMSN-KRWDZBQOSA-N 442.907 0.856 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314346 FENGBKBKPAFIFM-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 20907914 NHBHMOOAYRDAIV-UHFFFAOYSA-N 431.430 0.180 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 22189916 XGESHFHSYZTMRN-QGZVFWFLSA-N 435.458 0.212 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872440 OXADQBHSCHFMEO-UHFFFAOYSA-N 439.519 0.058 50 20 ICGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 727481054 ORUPPNKZHPBUQG-UHFFFAOYSA-N 437.460 0.618 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C(F)(F)F)n1 728330908 ZAUNMYOVYUEVLW-GFCCVEGCSA-N 428.323 0.583 50 20 ICGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 729257780 QOZCJVLDCKQZCH-ZDUSSCGKSA-N 426.543 0.863 50 20 ICGD Cc1cccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729274841 FPTYNNFWAAUSGO-NSHDSACASA-N 426.524 0.017 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNc2ccccc2S(C)(=O)=O)CC1 732304073 QYAGJWWAQQWXDV-UHFFFAOYSA-N 427.523 0.871 50 20 ICGD CSCC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737065238 OOKZPENNBXWOJQ-ZDUSSCGKSA-N 430.552 0.793 50 20 ICGD CN(C)c1nccc(NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 740112479 KRJUNPJPAFCXGY-UHFFFAOYSA-N 429.506 0.847 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCn2cnc3sccc3c2=O)cc1 744542304 ILTMLPASPVTLOU-UHFFFAOYSA-N 425.426 0.724 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C2=O 746949481 LIOWGRVAOZTEDS-PJIJBLCYSA-N 428.555 0.616 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)N1CCCC1 748241368 YHPKZHPLLXHNNK-CYBMUJFWSA-N 438.431 0.910 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748465266 NDPDKXICCLTTSQ-UHFFFAOYSA-N 440.504 0.702 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 756840029 UGCIZLWPAVNGAX-BETUJISGSA-N 444.448 0.714 50 20 ICGD O=C(NNC(=S)NC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 758170967 DHNIFRFBHCEPKD-HNNXBMFYSA-N 442.563 0.386 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)n(C)n1 763842138 CRCLKLLKAQNVRR-UHFFFAOYSA-N 439.476 0.884 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 763883283 VYRMJNKZTMCDIZ-UHFFFAOYSA-N 428.511 0.856 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1 763901269 MIWNXQLQKLBTLD-UHFFFAOYSA-N 433.421 0.404 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cnn(-c2ccccc2Cl)c1 764002618 OTZWMMBIMJENKF-JTQLQIEISA-N 425.854 0.046 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cn1 764063482 PPYSQBACILJZLC-UHFFFAOYSA-N 441.263 0.647 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2ccccc2C)CC1 764236851 UQXVRZQAAQKEIC-UHFFFAOYSA-N 432.521 0.418 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNc1cnccn1 768064663 OPMUPOKEPICMCA-UHFFFAOYSA-N 436.469 0.372 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)n1 773730172 FZKTVQBRSYAQFD-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 775211511 GGEPQYTWMHUGLO-UHFFFAOYSA-N 444.473 0.678 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778437786 CJUGPFQJBQTCMC-UHFFFAOYSA-N 432.474 0.798 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1OC 779461560 KRNUUUOSZVBIHL-ZDUSSCGKSA-N 437.478 0.536 50 20 ICGD CS(=O)(=O)N1CC(CNC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 779697192 ZEDXRZZBASYYIE-UHFFFAOYSA-N 430.430 0.498 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCS(=O)(=O)C1 783428895 YKQKZDGNPJLMGT-CQSZACIVSA-N 427.376 0.903 50 20 ICGD Cc1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2F)c1 784004837 LFVQNCBMBGIORP-UHFFFAOYSA-N 444.448 0.897 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005186 TUDDHBOVYQNVQR-UHFFFAOYSA-N 445.501 0.746 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 785976761 DJTPCVJPJINMRO-JSGCOSHPSA-N 434.449 0.943 50 20 ICGD CC(C)CN1C[C@@H]2CN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CCN2C1=O 787739095 KYBBIOQMQFNEKC-INIZCTEOSA-N 427.469 0.095 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnnn2-c2cccc(F)c2)ccc1Cl 789870472 BPYNEYZIYKBQLP-UHFFFAOYSA-N 438.828 0.782 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(Br)c1 793449303 AJXONMSKTBWIIE-VIFPVBQESA-N 444.267 0.311 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3CCCOC3)CC2)cc1 793677301 VHJWKUZSAAYKOT-KRWDZBQOSA-N 438.550 0.265 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C(=O)O 794596012 BLTNFJPAXZQURJ-UHFFFAOYSA-N 437.430 0.629 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 794763576 HVSARTYCZDASFB-UHFFFAOYSA-N 431.474 0.684 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(F)cc1C 795283893 NNTOHVDMZBYUBR-UHFFFAOYSA-N 448.436 0.910 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(C)nc3ccccc23)c1 799008385 ROFXAPSOWOUVAM-UHFFFAOYSA-N 431.474 0.871 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCS(=O)(=O)C1 799120422 QZIFOSUUZVEKJP-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD Cc1c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)nnn1Cc1ccncc1 803196340 YHJPLRHOQXZGCO-UHFFFAOYSA-N 429.462 0.900 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(F)(F)F 805768261 WAJFZVAHRVPHED-NSHDSACASA-N 432.446 0.539 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)ccc1F 806978443 BRBXDUPRBFOOIM-UHFFFAOYSA-N 445.432 0.682 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CCS(=O)(=O)C1 807238045 QXUGFNHMIGOTOA-PMACEKPBSA-N 449.533 0.793 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(N)nc1 814877559 QOKOCWJRSCGRMS-UHFFFAOYSA-N 430.534 0.819 50 20 ICGD CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 814954255 CDMXEPCZXHYYJQ-UHFFFAOYSA-N 433.490 0.978 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CC[C@H]3C(N)=O)c2)cc1 816827708 BSDQKTYWTYWIST-SJORKVTESA-N 446.485 0.769 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNc2cccc(OC)c2)c1=O 825800708 CZUMLADSDKFROV-UHFFFAOYSA-N 425.445 0.451 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)C[C@H](C)O1 912920797 CYJLSUFUTSQYRJ-QWRGUYRKSA-N 431.287 0.419 50 20 ICGD COC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 915312255 YMEUQKMUJAPVSH-UHFFFAOYSA-N 427.483 0.700 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)cc1[C@@]1(C)NC(=O)NC1=O 917753765 ORRZTQMXSNBETJ-LJQANCHMSA-N 448.457 0.387 50 20 ICGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc(F)cc2Br)CC1 918199421 AGGOJQUPOZFMHO-UHFFFAOYSA-N 437.291 0.956 50 20 ICGD C[C@]1(NNC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 918231009 RVJQPCNBFNNYSN-NRFANRHFSA-N 437.610 0.965 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1ccnc1 1317999071 RUMCDRPLMHEINL-HNNXBMFYSA-N 435.506 0.245 50 20 ICGD CN(C)C(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 1318784839 NORCGTKULVGART-UHFFFAOYSA-N 432.502 0.979 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778030032 KEKWMXNDPCDBIS-OUFKLWKOSA-N 441.891 0.643 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032773 UZGQLIFYUKRVSY-NRFANRHFSA-N 441.492 0.289 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Cn1cncn1)C2 1782175384 KYBOVKXRRINWGP-YIOZNXECSA-N 427.933 0.682 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1782210895 XNJDWEMECATEJU-HYBUGGRVSA-N 440.544 0.925 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1783533968 NJDSIVJVBTVCJI-NOZJJQNGSA-N 431.205 0.705 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783537096 KITJLVBZSRKZOX-RLFYNMQTSA-N 431.375 0.236 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1783933273 UGQVCJHHTKFJKL-JOCHJYFZSA-N 442.520 0.080 50 20 ICGD CCOC(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1792142600 WMPLCHWLJQBNKK-QAETUUGQSA-N 445.944 0.434 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncon1)NC(=O)NCc1ccccc1 1799034604 FZZCPMQRMOHQHI-BJWYYQGGSA-N 441.492 0.668 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1799273986 OBPLHJDZYDSQGO-MVWRLGRASA-N 443.331 0.637 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1800759442 PMCWSYSVGOYMGW-MCYUEQNJSA-N 427.299 0.652 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2 1801011822 ILTJIFXQAPCIID-VPTLXERWSA-N 440.504 0.206 50 20 ICGD COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801011937 WPDGEQVXJOCXCZ-UPHUGPLXSA-N 443.504 0.143 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801032764 JLROUGUDSHPSOF-BZBKMWRSSA-N 430.221 0.040 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 1801670947 BRPLAKSRVODWFR-RMEBNNNOSA-N 442.944 0.893 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(O)c1 1801691119 JVZKTMGGMHVOFE-HBCWATKFSA-N 439.472 0.216 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803543951 PHLSWDOJAJWJQV-PBEJRMEISA-N 435.289 0.119 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)nn1C 1805590041 NCCAMHMGTLDAOD-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805914492 WXUCVXKXAALWOI-RXVVDRJESA-N 447.304 0.611 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364215 SPAGIWXSZROIEJ-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(C)C)[C@@H]1c1cccnc1 1808413894 CIEXAVSVCKFXOY-MFWRVWTKSA-N 439.520 0.783 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C(F)(F)Cl)[C@@H]1c1cccnc1 1813211520 KJWOVUBUEAXLJZ-ZBFHGGJFSA-N 437.639 0.913 50 20 ICGD O=C(NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)c1cccnc1 1814868277 YESWPEBUHXPHQF-CABCVRRESA-N 434.884 0.827 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815768878 FVQXATLGTMXXOA-OLZOCXBDSA-N 436.545 0.851 50 20 ICGD CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817282903 OBMFHHZPXUYJRL-LUKCILAXSA-N 445.505 0.325 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1)[C@H](O)N1CCOCC1 1819448441 QXDHOFBCGDPNDA-RBOXIYTFSA-N 448.293 0.743 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1cncc(O)c1 1825719829 LRTVYYRFRCZGSO-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD COc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080511 OUDCFVAWTCWZJR-NSHDSACASA-N 447.521 0.541 50 20 ICGD Cc1ccn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055975 LUJGDCKHXUWMOZ-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730888 GMGYFSWSHNZKCF-YLJYHZDGSA-N 439.871 0.977 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cc1 1833313080 UVDMNHCXMNSKEF-GOSISDBHSA-N 436.940 0.570 50 20 ICGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833387629 HPXAGQZYOWMDAH-OAHLLOKOSA-N 449.321 0.701 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1834820324 YPRKXZZYMGCMLE-INIZCTEOSA-N 447.717 0.985 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836055210 AVBSELKVSCODLM-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD Cc1c[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919434 RKXRNXGVKDMEMM-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cc(O)n1 1840032907 NFWLGUVDCQJJLN-ACJLOTCBSA-N 442.310 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840149979 CWBNOWHUCCGDAZ-APWZRJJASA-N 443.953 0.884 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840154989 MBKKLPRVRZICBI-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414264 UEVFIXORRSBWGR-HNNXBMFYSA-N 426.366 0.852 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1843416111 AJUMZJYSDNXSMZ-CMALXJQLSA-N 444.492 0.853 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844287560 CUMFQJMUTFWJAU-UONOGXRCSA-N 433.299 0.858 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2c(C)nn(C)c2C)C1 1846614230 HWIPMDHAIPRKHV-BUVRLJJBSA-N 439.520 0.917 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2ccccc2o1 1847427970 ZRGVVMQALUSPET-HOTGVXAUSA-N 426.473 0.981 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](C)CBr)CC1 1847500315 AVAHYLQSUAOEKO-BPUTZDHNSA-N 429.359 0.383 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(CN2C(=O)CNC2=O)cc1 10159568 MYXYPHWWIROWGO-UHFFFAOYSA-N 434.412 0.705 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(S(N)(=O)=O)c1 725872620 RECHEMPAIMAVQD-JTQLQIEISA-N 425.492 0.217 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)NC(C)C 726613142 CCMPNILGNIHEJM-AWEZNQCLSA-N 430.552 0.067 50 20 ICGD O=C(CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 727846255 MVAWGTBFVJHYNK-VIFPVBQESA-N 437.305 0.631 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728437049 LQMJDEYDQDSNKP-CQSZACIVSA-N 430.552 0.639 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 730066719 OLVMGTYFXXCCFE-UHFFFAOYSA-N 445.461 0.089 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737766389 GSPMCRWZSCVDIV-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)N(C)C)cc2)cc1 742025008 HFLOEYVYJWVJEK-UHFFFAOYSA-N 440.547 0.857 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744562195 XMSANGWPOPXMKI-UHFFFAOYSA-N 442.453 0.641 50 20 ICGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 746092507 TVLGVOBPKVAYCN-UHFFFAOYSA-N 441.536 0.867 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(F)ccc1Br 747905949 BNWYOZCWEJQWBP-UHFFFAOYSA-N 440.291 0.694 50 20 ICGD Cc1ccc(S(=O)(=O)C2(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC2)cc1 750993992 MILOOTBHMAWZPG-CQSZACIVSA-N 443.547 0.599 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccccc2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 755536692 UFHATVIXEKGVJP-CQSZACIVSA-N 432.462 0.655 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 760279243 KMFIBXSNUMEKJS-UHFFFAOYSA-N 434.416 0.316 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1C 760340786 WOBPNTPFSYIRRS-UHFFFAOYSA-N 443.478 0.794 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1C 763680596 RNJFOPFUHKMIKY-UHFFFAOYSA-N 448.501 0.518 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)c1 763775470 RPQMCCPBTBEXTK-UHFFFAOYSA-N 430.417 0.737 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763867230 UEVJCFCXICYMCE-SNVBAGLBSA-N 431.359 0.494 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)n1 763892864 MDACNFKNPAPWFQ-UHFFFAOYSA-N 436.476 0.881 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Sc1ccccc1 764230305 HCPHIGMSZWBBIC-LBPRGKRZSA-N 436.515 0.861 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc(OC)c1Br 764297377 QALGRYUVVZORCE-UHFFFAOYSA-N 426.227 0.518 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)NC1CC1 764356516 XRUSRJZWWACKRL-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 766260342 FCLAYEZKMAJVPW-ZDUSSCGKSA-N 448.505 0.988 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n[nH]1 768276807 PXBDVJKEBLAZQO-FQEVSTJZSA-N 446.467 0.993 50 20 ICGD Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)[C@@H]4CCS(=O)(=O)C4)c3)cc21 771821643 LAIKTIOPXCVFJF-CYBMUJFWSA-N 429.458 0.537 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)nc1C 778423719 FTXLSGQGDABVMT-MRXNPFEDSA-N 434.497 0.118 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1nn(-c2ccccc2)cc1O 784765144 NMHFSJUMWXWCAI-SJORKVTESA-N 439.472 0.780 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c2ccccc2O1 784844952 UTWUMODSEZSSBY-MRXNPFEDSA-N 432.458 0.073 50 20 ICGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 786413580 CLZFBEAPZAGJNU-UHFFFAOYSA-N 437.416 0.168 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)c1 787863104 KXDPPLJIEVVHCG-UHFFFAOYSA-N 428.405 0.861 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C)n3)CC2)cc1 793220235 MATZDSVHQSWUAT-UHFFFAOYSA-N 433.490 0.760 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)c1c(C)nc3ccccn13)OCC(=O)N2 797427945 LSAHKMWHXBPWNU-UHFFFAOYSA-N 431.430 0.606 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1Cl 802566933 JAMRJXUQBOGZRN-LURJTMIESA-N 441.691 0.126 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](c2nncn2C)C(C)C)cc1 807433782 ONZDOXGSFMQTMX-MRXNPFEDSA-N 437.526 0.472 50 20 ICGD COCC1(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCOCC1 810341586 NEURHQAFUNRWDQ-UHFFFAOYSA-N 426.539 0.509 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)C1CC1 815593879 ZXXLHIJUOZRKFF-UHFFFAOYSA-N 427.417 0.311 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 825802130 XYFZCRCATHSASO-UHFFFAOYSA-N 431.474 0.383 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 864016759 OBSJIXXBKSXLMK-UHFFFAOYSA-N 446.485 0.852 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1ccnn1C)N(S(C)(=O)=O)CC2 914555266 MPGRVOCAGQQJBP-INIZCTEOSA-N 435.506 0.837 50 20 ICGD CCOc1cc(C#N)cc(Br)c1OCC(=O)NNC(=O)C(=O)NC(C)C 915139658 BRTBDEWKXFHITR-UHFFFAOYSA-N 427.255 0.770 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCN(CCN(C)C)CC1 916382617 LTMVUNXSLVSVGD-UHFFFAOYSA-N 439.586 0.258 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 917940568 BOIPSOACKJWAAV-CHWSQXEVSA-N 426.470 0.652 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC1CCOCC1 918233225 IGRWMQCSKAACKB-UHFFFAOYSA-N 440.522 0.150 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 920032659 RGUXTYDSPCKSPG-RUJXFNLJSA-N 438.488 0.451 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)C1CCN(c2ncccn2)CC1 1251624392 XQLNZKXSVLMJRN-HLLBOEOZSA-N 447.565 0.566 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)cc1 1320629638 KJXRAHWVBUJNLE-UHFFFAOYSA-N 425.488 0.759 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1777985226 VCVWCDFHOMNYBT-OGHNNQOOSA-N 433.347 0.732 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1780547390 OLADRZMOIRCHFJ-JXXFODFXSA-N 435.912 0.385 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781027029 OMKLRGNHVINUEC-LWIOAKLZSA-N 444.536 0.435 50 20 ICGD C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1781253866 YBAZCGVSDBCHDY-MYXQPPCBSA-N 432.427 0.836 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331347 OXUXVVIEGFKBJC-JJRVBVJISA-N 429.290 0.472 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1)C(=O)O 1781998399 SHMYOEHAHOZHTD-IPJQOSJUSA-N 434.331 0.346 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1782001682 JHCAXBACJWLUCC-BRXULGCHSA-N 429.319 0.531 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1782002176 NVNVRDNCLSQQBU-XJKCOSOUSA-N 439.372 0.718 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1783527953 DHPMLAIAOHGVHF-UMTODZBQSA-N 442.354 0.856 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1783873713 SRPDNOYSRGAJRJ-QAPCUYQASA-N 445.925 0.182 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1783932998 OFVOZUFLLAOCAZ-JTSKRJEESA-N 432.521 0.587 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935618 WGEYUOKQZCNIAJ-JOCHJYFZSA-N 427.505 0.683 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783937009 CTUZILSENVSVBG-NRFANRHFSA-N 434.541 0.093 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785402234 WZEARPPAVQDLIY-YWZLYKJASA-N 443.928 0.928 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1786406153 UYQALTWHTWUOQT-KKUMJFAQSA-N 426.311 0.613 50 20 ICGD COC(=O)NCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143818 WNLLQLPHHFQYET-UHFFFAOYSA-N 425.250 0.470 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788493969 FDLSWBCOILWOLE-NPIMYHGPSA-N 442.354 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncsc4[nH]3)[C@H]2C1 1788787397 XWJYWLCEZCXOMV-XEZPLFJOSA-N 448.549 0.591 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc(O)n2c1CCCC2 1788788586 GRIUWRMOFLJPGQ-JURCDPSOSA-N 426.901 0.118 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)[C@@H](Br)Cc1ccccc1 1790778473 ZQOQHUSWCOCGQV-VGWMRTNUSA-N 441.322 0.283 50 20 ICGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](F)Br)C[C@@H]43)(C1)C2 1791019149 GAVKMQPNFLBOIQ-XCQUIMOCSA-N 447.301 1.000 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1791255562 UWQVQJIKWRWXEG-MGHWNKPDSA-N 435.908 0.777 50 20 ICGD CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791287955 HUUNGIPQJYBPFW-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792872063 KYEMIKSDSNMBOC-NRWUCQMLSA-N 435.388 0.091 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795492272 FPOWJWADCNVFHL-BTTYYORXSA-N 436.372 0.835 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccoc13)C2)c1cccc(B(O)O)c1 1795741128 MCCVZCZKJOZBPD-XEMDLRDOSA-N 434.257 0.630 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796387231 QNTFKSPNMQVHGB-CHWFTXMASA-N 445.339 0.873 50 20 ICGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cccc1C=O 1798439247 SFZCQBNJYGXFLZ-JONQDZQNSA-N 438.488 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1798439985 RHRXKCPYCZGHKW-ZSBIGDGJSA-N 427.421 0.487 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccoc1 1801483946 XMFPJYJPEGNZSX-CCWDJLKJSA-N 427.461 0.114 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359409 ISYSTIVQHCWUQK-UYAOXDASSA-N 437.305 0.696 50 20 ICGD CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCO1 1807753306 LPSWJGVKLRDXFD-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810534265 WKWMGKXFBUNSNX-LDBYXDLTSA-N 444.536 0.151 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471626 UBPFGTACVJGXFQ-IRWQIABSSA-N 427.314 0.769 50 20 ICGD CNCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794718 BWVFZOUBQCWQTR-NSHDSACASA-N 431.522 0.367 50 20 ICGD COc1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410916 SFDQFQXJSTULPN-AWEZNQCLSA-N 444.496 0.887 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822417105 ZWJGXDKBPVHPBW-HUUCEWRRSA-N 440.570 0.889 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826841565 YILSOLBVNWBBOG-NDXORKPFSA-N 429.370 0.973 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829538468 HWROUEPXBOIAGE-LJQANCHMSA-N 438.293 0.409 50 20 ICGD COc1cc(C)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733840 VHOKVGXFYYEDRP-XLIONFOSSA-N 426.897 0.673 50 20 ICGD Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc2n1 1830735620 JEAXSGWBHVFFGT-YLJYHZDGSA-N 436.896 0.243 50 20 ICGD COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736966 YWMYSILRSCJXSP-JXFKEZNVSA-N 426.897 0.294 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1F 1833672171 GLQDZBZZSUJZOA-GOSISDBHSA-N 428.537 0.779 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCCO3)CC2)CC1)c1cccc(B(O)O)c1 1834800552 LJGPPBLGNIWLJR-OAQYLSRUSA-N 443.353 0.121 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835379300 NYVZGDAOKXDWCW-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1838528273 NPXNYVMGUGWMMV-HXUWFJFHSA-N 449.416 0.179 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1839290247 DGXHFAREBIMSMG-VQIMIIECSA-N 430.860 0.504 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030614 QDMUNOFQICIJKK-FZKQIMNGSA-N 448.358 0.389 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840035588 WNNJJQKRMKQAPJ-WOSRLPQWSA-N 430.303 0.079 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cncn1 1840417497 UUDFNOKTUMBVBD-CZUORRHYSA-N 430.303 0.081 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498467 MMBCYOZPMNXRQR-VQIMIIECSA-N 427.885 0.040 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353510 ANTDNUSPGFDKNA-BARDWOONSA-N 427.929 0.902 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1843415212 YRXSAUOHIJQZPZ-FEEMDCCFSA-N 443.504 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(O)cc1O)C2 1844264760 DZFKQUSPYDYGCR-UHFFFAOYSA-N 445.863 0.881 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823673 FBDGSJVDUDHDAE-GFCCVEGCSA-N 441.282 0.991 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C2CCC3(CC2)OCCO3)C1 1845906797 VFFUTJXIQBHTOH-UHFFFAOYSA-N 443.504 0.435 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc(-c3ccncc3)no2)c1 110853502 QRCJODDREAQCLB-UHFFFAOYSA-N 445.461 0.255 50 20 ICGD CO[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(F)(F)F 733659846 NBCRCLCMKBHERZ-GFCCVEGCSA-N 440.448 0.221 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2=NO[C@H](c3ccccc3)C2)CC1 735117469 UNGYPHFKSDSQKE-KRWDZBQOSA-N 444.517 0.978 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1CCCS1(=O)=O 747110548 HEHQBKSQLFLCEP-LLVKDONJSA-N 449.327 0.582 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 748628617 WPPPHKQCJPMPGB-HNNXBMFYSA-N 442.538 0.743 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1C 753841329 QVGNTJJZBCLJEA-LLVKDONJSA-N 444.238 0.045 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1-n1nnnc1C 756318289 HETHNGWUVJQXQS-KRWDZBQOSA-N 425.405 0.972 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 757630066 RCCYBWJLRKOOCI-UHFFFAOYSA-N 438.444 0.954 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2cc(Br)c[nH]2)c1=O 757765577 SWYQOSLVEFFZBH-UHFFFAOYSA-N 426.227 0.969 50 20 ICGD C#CCCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 757781988 UDAQRVBOTILMAY-INIZCTEOSA-N 437.518 0.904 50 20 ICGD Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc3)cn2c1 758035959 OTIZQJXZTHXSHZ-AWEZNQCLSA-N 445.501 0.920 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c(C)nc3ccnn3c2C)cc1OC 760592470 SXJRYKYRLYQMAR-UHFFFAOYSA-N 427.417 0.981 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 763438753 DPYDGKVUACPDQH-UHFFFAOYSA-N 449.551 0.846 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCCO3)c1 763718785 MOMHZOOFVFQSOJ-UHFFFAOYSA-N 448.457 0.108 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 763804011 JEMMPBMYJUZDCD-UHFFFAOYSA-N 443.416 0.596 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763949736 REIPEKOAQAHMMW-UHFFFAOYSA-N 425.401 0.995 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 764228277 WZGDQXFLEAZYCK-SNVBAGLBSA-N 430.458 0.171 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 764519282 PBDHYBCEEJSKER-UHFFFAOYSA-N 441.001 0.478 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2(N3CCOCC3)CC2)nc1 765633303 BTZCJXKRXKAXHX-UHFFFAOYSA-N 426.543 0.603 50 20 ICGD Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769956229 WOGVBSQNJZAFRH-HOCLYGCPSA-N 425.453 0.196 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNc2nc(O)c3cnn(C)c3n2)c(OC)c1 770973657 OHUXADJFNPZCPV-CQSZACIVSA-N 441.448 0.834 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)oc1C 771603458 AZIOEAVKMSHWBJ-UHFFFAOYSA-N 429.838 0.654 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 771859572 ASRLRYNUUZTGBO-JSGCOSHPSA-N 438.506 0.629 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 773544905 FVLUPZSXDFWMAY-SNVBAGLBSA-N 425.392 0.503 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)cc(OC)c1OC 774325144 FKPYFLYNLLZCIR-UHFFFAOYSA-N 438.462 0.034 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C)nc3C)CC2)cc1 777420795 XLIMBPVMWWAHKY-UHFFFAOYSA-N 446.533 0.169 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc(F)c1F 782896063 BJPPFAXOGURLGD-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3nccnc3c2)nc1 783262473 DKZNZUQPPSGLOS-UHFFFAOYSA-N 429.462 0.793 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 783952742 QLAJKZZERSJWMO-KBPBESRZSA-N 448.505 0.665 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(OC)c1 784005297 UKPGCOWKZNLHHU-UHFFFAOYSA-N 434.430 0.059 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784523105 GAYISKKYKQVGCL-GJZGRUSLSA-N 437.518 0.983 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)c2ccccc2c1=O 792016030 JRPWFOFIHJJLBG-QFIPXVFZSA-N 439.472 0.489 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc(N2CCN(C(C)C)CC2)c1 792266068 MRWYJPHTYCZJGF-UHFFFAOYSA-N 427.509 0.659 50 20 ICGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792841551 ASKLROGJPCRJPJ-BEFAXECRSA-N 441.550 0.849 50 20 ICGD O=C(NNS(=O)(=O)C1=CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 798247083 OGVMRFJGHZGDNM-UHFFFAOYSA-N 429.520 0.730 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(Cl)c(OC)c2)c1 800634065 CUNWFDZEBMADTB-UHFFFAOYSA-N 433.852 0.906 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cn(C)c(C)n1 800814472 PLQZPUWOCXIMKD-UHFFFAOYSA-N 432.550 0.884 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 806971329 ZQZRQBYVQALPAN-UHFFFAOYSA-N 444.311 0.971 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cnc3n2CCCC3)cc1 807263727 GOLYKSFWOWSULR-UHFFFAOYSA-N 434.522 0.679 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 814249826 YOZBUAAJKAYIDU-UHFFFAOYSA-N 438.189 0.075 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 815779840 YDMKIKMNXKRLSL-SJORKVTESA-N 430.461 0.120 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 861502938 OCJBQVAPFGMEDJ-UHFFFAOYSA-N 449.441 0.562 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 916280640 JKIMIOZSUBADRX-UHFFFAOYSA-N 447.517 0.859 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC[C@@H]1CCNS(C)(=O)=O 917159295 RHOMRAJWDXHAMX-CQSZACIVSA-N 446.957 0.903 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c([N+](=O)[O-])cc1OCc1cscn1 919885423 ZCEGCHBXNDJNOZ-UHFFFAOYSA-N 437.434 0.925 50 20 ICGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 919924147 XBEWCRKDPKGRGA-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)NNC(=O)[C@@H]1COc2ccccc2O1 928978135 VCNFEFJTGDMABN-GUYCJALGSA-N 443.387 0.782 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccc(OC)cc2)cc1 1347333847 JBKSFUSNTRFLEK-UHFFFAOYSA-N 436.490 0.632 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ncn(-c2ccccc2)n1 1778179281 UOWNMYLKUPYFPR-CBGDNZLLSA-N 447.923 0.995 50 20 ICGD CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1779029101 LIPFATXMSKENFO-GCJKJVERSA-N 446.552 0.249 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1779031430 SEDKGKPSHPIXTN-IBGZPJMESA-N 430.490 0.207 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(O)nn1)C2 1782180129 TVSUPURLHVXXHN-JXXFODFXSA-N 440.928 0.883 50 20 ICGD O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782448506 XVVWJGXMHCTNCT-RHSMWYFYSA-N 428.331 0.967 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782482812 PRWLIUJNUFQWNX-OGHNNQOOSA-N 431.946 0.665 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1783883806 YUATWHKMXGTUQT-MGPUTAFESA-N 436.896 0.976 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)CC1 1783947586 FDPKMMMRYDHHMH-MRXNPFEDSA-N 442.365 0.292 50 20 ICGD COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1785265263 GJJHYPWCKZHBHH-DKIMLUQUSA-N 425.913 0.602 50 20 ICGD O=C(CCc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787019057 HKRMIJCUGBEFIM-IHPCNDPISA-N 442.346 0.654 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1787508988 VXIKFSSGYWWTEK-YPMOQXHOSA-N 427.465 0.137 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791063204 CWLZQDCHLHBBIF-IKOXMDCHSA-N 437.356 0.327 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccoc2C1 1793122775 QBKWSVYOCXCDQM-OPOADAIRSA-N 432.521 0.347 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(F)c1 1795735743 CPYQAYJDXJBJSD-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccs1)C2)c1cccc(B(O)O)c1 1795737519 QJWNKLQGFKWVFD-DFBIAFCQSA-N 426.303 0.345 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2)c1cccc(B(O)O)c1 1795740696 IRRAJHVHESHZSQ-PLSULTGPSA-N 434.301 0.373 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)cc1 1798939085 LJLRHEGVPMYBPV-UPHUGPLXSA-N 431.537 0.329 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1799269046 RGSRVSTZWVXLRG-XRGAULLZSA-N 449.895 0.899 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799339101 CXGAFWKKMXWQEY-AHHPBITISA-N 435.427 0.470 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800625050 LAXIJJXERDNRQP-OPOADAIRSA-N 432.521 0.417 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 1801011621 VZNFJJZCJRDSGE-VPTLXERWSA-N 446.504 0.034 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)c3ccn(C)c13)C2 1802336352 KOVOZWHMKBBHIR-QDMKHBRRSA-N 442.520 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1810304601 FLEBTYSZNYREAC-MGPUTAFESA-N 448.487 0.366 50 20 ICGD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814531353 FRBVYECBOKTXGR-INIZCTEOSA-N 442.350 0.535 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)C(F)F)CC2)c1cccc(B(O)O)c1 1815350153 GRIIPPWMXKZNIL-JTQLQIEISA-N 445.203 0.949 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cnn1C 1817471052 QCIDRNHRZOVILU-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(F)c[nH]3)sc2C1)c1ccc(B(O)O)cc1 1825732181 BXBMTGKMEGRMTR-CYBMUJFWSA-N 428.254 0.830 50 20 ICGD Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)c1 1827054548 GKZMZBZPKZLCCA-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055190 UTHQUNKLZTYQDJ-IBGZPJMESA-N 430.310 0.553 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830969325 XQPLDJCYMVMKCC-MAUKXSAKSA-N 441.326 0.649 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1831651643 SEKYNJQUQCBHDL-BXWFABGCSA-N 427.933 0.778 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cn1 1833893858 OQEPPFSNTZJLIO-PXNSSMCTSA-N 425.913 0.968 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167041 JUXGJTXBVYKZCR-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836170757 COZYRAIPBXJLCX-RHSMWYFYSA-N 429.315 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836247554 VOCZEOKJPCKQDG-PIGZYNQJSA-N 437.827 0.936 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](Cl)CC)CC2)CC1 1836396654 FWUGSXICMFXWRI-DOTOQJQBSA-N 432.949 0.640 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)C1 1837715141 YWIAASVXHXDBHL-XLIONFOSSA-N 427.618 0.636 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1OC 1838840494 SFGANFJTDUOTCX-CRAIPNDOSA-N 431.848 0.703 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198235 XMJSOHSMHABIRE-BBRMVZONSA-N 433.230 0.400 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839463495 WIOTZSSRJBKJKI-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839653680 XPBZPLBGCAOFJY-KSSFIOAISA-N 434.990 0.334 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839961980 PHLRAVVVDNEJFM-SLEUVZQESA-N 427.723 0.216 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840200731 QXLSTARBTMTQSE-XEZPLFJOSA-N 439.372 0.340 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840880960 VXKXJRCWSKHZQY-CCJIBRKGSA-N 444.843 0.807 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014303 WBFLRXHVVURXLR-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)cc21 1844640262 NLTGOZODNSFGQL-KRWDZBQOSA-N 443.891 0.914 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1844693302 PZYNMDSRNIQQTG-CYBMUJFWSA-N 430.417 0.473 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCSc2ccc(F)cc2)n(C)c1=O 12683087 VHWNPXXRRPLXNA-UHFFFAOYSA-N 448.480 0.293 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1OC 27068017 RAKIJEIHFPVMDU-UHFFFAOYSA-N 434.449 0.728 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 104926486 KFAGXYKQXHQYDZ-UHFFFAOYSA-N 426.385 0.558 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)n1 729293684 WOODADWEFRZSLI-FQEVSTJZSA-N 446.529 0.883 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(F)c(Cl)c1 731186883 XKZFFPGRABHISO-SECBINFHSA-N 430.849 0.499 50 20 ICGD O=C(NNC(=O)c1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915147 WSOWANQRCJNNFR-KRWDZBQOSA-N 425.493 0.926 50 20 ICGD CN(C)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 733359595 SHOBJOPVGOSMGW-UHFFFAOYSA-N 430.322 0.415 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)cn1 735471081 MPCULJIGAZXCHZ-CYBMUJFWSA-N 441.897 0.606 50 20 ICGD COCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 737750953 JWGSPPJZAMWBIZ-UHFFFAOYSA-N 443.503 0.707 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cccc(C#N)c1 741852401 FJRXASXPCPUSHB-UHFFFAOYSA-N 443.441 0.178 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)NCc1cccc(C(F)(F)F)c1 742589554 QHLCTNKOKKHSCG-QHSBEEBCSA-N 440.378 0.698 50 20 ICGD COc1cc(OCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 744872231 HHHCJWOJPAHXBO-UHFFFAOYSA-N 428.357 0.858 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1OC 749219510 AWGSYZDBKPBLNM-UHFFFAOYSA-N 441.488 0.997 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)o1 752956027 QETRFJUKZIWTEO-UHFFFAOYSA-N 437.258 0.457 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)n(C)c1=O 755344975 UZDVFMIXLLQBOD-UHFFFAOYSA-N 439.354 0.305 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1S(N)(=O)=O 756080875 OOMFPUQAGNCRNQ-UHFFFAOYSA-N 433.446 0.601 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757711855 UYCLIKQZMYYFTL-NWDGAFQWSA-N 432.524 0.351 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)sc1Br 758042894 BVAGWGROBCZKKA-SCSAIBSYSA-N 449.146 0.972 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)co1 758787140 SGTKTFLBOWKHLN-UHFFFAOYSA-N 445.498 0.437 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cncc(F)c1 759111626 GOAVJIBHLXFYNV-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1OC 760621717 VTGBKYMZKJHFRA-UHFFFAOYSA-N 443.459 0.031 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1 763661226 MAMAJACGFQXWBM-CQSZACIVSA-N 426.429 0.464 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 763771573 IMLXVHUKJQMYGL-QGZVFWFLSA-N 442.428 0.005 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1C 763811658 KHOGRZQQBHWKQJ-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)n1 763893532 WQUVIKOZUQLHSU-UHFFFAOYSA-N 436.900 0.880 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccccc1-n1ccnn1 763950032 RXUOHYXDUZFLRX-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 764163464 IYBWHUWYYQCBEJ-ZDUSSCGKSA-N 439.396 0.773 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765739352 VAGFLJJWLBLXTE-GOSISDBHSA-N 445.520 0.460 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)n[nH]2)cc1 766799934 HXEJONGDKFTEET-UHFFFAOYSA-N 430.465 0.787 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 766885866 YTJOHDVCPPYCIM-WIYYLYMNSA-N 443.592 0.997 50 20 ICGD COc1ccc(-n2cnnc2SCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770973604 NMQUIBAIMNUNTQ-UHFFFAOYSA-N 427.450 0.894 50 20 ICGD C[C@@H]1C[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 771437109 XVRIZXYSNBENIH-CABCVRRESA-N 426.543 0.459 50 20 ICGD COc1nc(C)ccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776730507 NKINNRUBPJTQBA-UHFFFAOYSA-N 434.474 0.494 50 20 ICGD COc1c(F)cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 777604578 LPTZAXZMBZXDAC-UHFFFAOYSA-N 447.422 0.769 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(C)cc3)ccc21 778707868 QODDZNAQNXMLOH-UHFFFAOYSA-N 440.456 0.695 50 20 ICGD COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 778741791 DFOBCIGEDMJXQN-AWEZNQCLSA-N 429.437 0.844 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC(C)(C)OC3(C)C)nc2)CC1 779385906 WVYMBJFTUSLFTN-OAHLLOKOSA-N 440.570 0.990 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC=C(C#N)CC3)CC2)cc1OC 779588884 DBZCWTPKMBHQIP-UHFFFAOYSA-N 434.518 0.692 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 782538661 GWWRDKKNUGJGJT-QGZVFWFLSA-N 434.474 0.607 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cn(C)nc2OC)cc1Br 789587147 XNERHEDMUYIAQG-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)cc1C 790686774 QVDVMEXNHYWOJP-HXUWFJFHSA-N 435.502 0.844 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 793992533 LTFRGIKTYMHNKM-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)sc1S(N)(=O)=O 794068951 DHBHGLNYOKWINW-UHFFFAOYSA-N 442.475 0.092 50 20 ICGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 794867396 BEBWNVMWBIEAGJ-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Br)c1F)N[C@@H]1CCS(=O)(=O)C1 799122595 TWGXEPIXPSORMA-SSDOTTSWSA-N 430.277 0.268 50 20 ICGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802028060 IKTOTRZHBCDOSK-GOSISDBHSA-N 434.815 0.916 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1OC 806975604 HBROPFGGYNSCGL-UHFFFAOYSA-N 440.460 0.929 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C 810107037 UPOJOXNRDWGWHE-UHFFFAOYSA-N 439.515 0.446 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810385621 WTFKCEOPLBJLEA-UHFFFAOYSA-N 449.427 0.703 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 815751741 MYBJRUFISJGMIZ-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(Br)c2)C[C@@H](C)O1 912922017 YZDBDUKIDNZUJT-BETUJISGSA-N 441.326 0.826 50 20 ICGD O=C(CNC(=O)C1CC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 914857672 QMSRTZPPMFJNET-UHFFFAOYSA-N 430.486 0.452 50 20 ICGD O=C(NNC(=O)c1cc2c(nc1O)CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 915801780 FIFYDMSWFMLFOQ-UHFFFAOYSA-N 446.485 0.372 50 20 ICGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916293809 IKCLGRGJQJWZFS-LBPRGKRZSA-N 438.535 0.541 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1C 916562679 SBRJMSQRDUHRSZ-LHSJRXKWSA-N 429.477 0.890 50 20 ICGD Cc1nccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 917388122 XVTFJJUWTXQBOK-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD CCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 920766581 BGYIXLMUFZUYPO-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD COCCN1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 920814190 CNQJICFEBCQMML-UHFFFAOYSA-N 441.554 0.057 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C 921165056 DTCWSRPUWVBILV-XMHGGMMESA-N 437.566 0.352 50 20 ICGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)CC1 1319175433 HNTOYQZGCVIEDA-OAHLLOKOSA-N 438.554 0.594 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1779076876 RQEMHJYNPFVARW-HYSWKAIVSA-N 449.298 0.095 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC)nn2)C1 1779957084 CLFVJIHJGMNACO-ZXYWRSMDSA-N 426.901 0.867 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1)NC(=O)NCc1ccccc1 1781087838 KTHQYIWJGYVWED-SVMVAKDDSA-N 447.511 0.521 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933712 DXWBTYXJGSIDJN-QFIPXVFZSA-N 432.521 0.577 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cs1 1786203608 ABGHNZSHSAOVTA-NUTKFTJISA-N 444.517 0.357 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978753 QNXFEXYXEYYLQQ-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC=CO3)[C@H]2C1 1788581711 WOXLCQKBKYYVDF-BPOXOXDZSA-N 443.504 0.793 50 20 ICGD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1792859850 PGYGFEICQKWSPW-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)Cc2ccccc2C1=O)[C@H](O)CCl 1793196267 CHOYDVVBDBEPIX-KYHPRHEASA-N 447.919 0.840 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1Cl)C2)c1cccc(B(O)O)c1 1795737343 AYGLTLCQIVPMMA-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD CCCc1onc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738963 NDAYTZHVDSAINX-CWPLJXCYSA-N 441.293 0.132 50 20 ICGD CCc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1796042266 ASMLREBCDILNPS-CCWDJLKJSA-N 438.488 0.160 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ncccc1Br 1798183777 DWVIOAKIEWHEGI-LYIQGSDWSA-N 432.702 0.647 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2c1OCO2 1799162965 RLVYASDZSNXTFY-CLLJXQQHSA-N 438.444 0.374 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)OC(=O)NC(C)C)C2 1800977735 WUGPZLGEHPAMCS-LXTVHRRPSA-N 433.933 0.743 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805522717 CJTSAKWRNGCKST-OAHLLOKOSA-N 435.974 0.243 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806375712 WQSOOYLSMNESNY-UWJYYQICSA-N 439.277 0.034 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361654 GXENACSXYJANSO-KNQAVFIVSA-N 447.304 0.437 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366364 SYUROIRSIUKLIO-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnc1 1807366981 WMZXWKRYPMDYSA-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367794 MJXVMSVBQIENME-YSIASYRMSA-N 439.346 0.977 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2cccn2)[C@H]1c1cccnc1 1807638109 CVQKVWUQVFVNRM-DYESRHJHSA-N 427.509 0.357 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(F)n1 1810752804 BPTHWEUKYPQOCK-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474810 ZBRFFHGVTRJSBK-RTBURBONSA-N 439.325 0.880 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cnnn1 1822864401 SQROCDSKTPITJX-GXTWGEPZSA-N 432.489 0.023 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826784516 CKIGJARFHLBSEC-INIZCTEOSA-N 447.565 0.545 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1 1828186581 XZRIOQZUWZMTTH-VXGBXAGGSA-N 444.517 0.794 50 20 ICGD O=C(C(O)O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829049090 FPLLYUJYHNOAFR-IFXJQAMLSA-N 443.859 0.284 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517413 RGRLUDUVDWLLRK-INIZCTEOSA-N 447.717 0.985 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830542792 DUPHSVMZMVGIDS-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccn12 1830727994 MQRVKARXNWXBQH-FOIQADDNSA-N 436.896 0.312 50 20 ICGD CCC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccc1 1830728437 TVBGLJPPZSGZRJ-UWVAXJGDSA-N 427.929 0.885 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732391 XAYBDINDQFROBF-UGSOOPFHSA-N 442.925 0.374 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732821 BIQBQMZLNNAUIE-NQIIRXRSSA-N 448.907 0.542 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738143 MVQQQWPUQVEGKU-KSSFIOAISA-N 436.814 0.774 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)n2)CC1 1831871199 MXJUVJWRADURLH-INIZCTEOSA-N 448.524 0.494 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cnn(C)c2)CC1 1832275021 WKUUFZDZWWPYDC-LJQANCHMSA-N 432.569 0.955 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nc2nccn12 1833312571 YDDMIBFFRXOXBN-SFHVURJKSA-N 448.955 0.823 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccs1 1834107531 DLDSNEBRROUNLW-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)CC1 1834848343 WEHYQIJQDXFDSS-SFHVURJKSA-N 425.961 0.788 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnn2ncccc12 1835037877 OANDOFKKVMZTGD-SFHVURJKSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835722103 JCZVZZKGKIANLM-LLGFUMIMSA-N 437.924 0.906 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836919602 MSFSYRRZJKFHFS-MRXNPFEDSA-N 442.944 0.944 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1 1838352183 DUPIPEAVCFIOKN-BBRMVZONSA-N 447.261 0.246 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839141979 AGRUWCJEIOTSQA-UZLBHIALSA-N 438.912 0.285 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cccc1=O 1839151262 LZDHEYZCWQTZEM-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200094 DVBLBHDYDIJFNX-ZOSAASJSSA-N 449.321 0.605 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201110 RSDBYCSCCCXHMR-FFSVYQOJSA-N 438.294 0.000 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1840151747 MXUMMHWOAZNQBR-FXAWDEMLSA-N 444.887 0.915 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189575 YTGDDQGVHABANC-GOSISDBHSA-N 430.288 0.659 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843079818 IXUXPEKXDVGJEZ-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1846678282 GXZXROJZOBBXDM-ONEGZZNKSA-N 426.502 0.980 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)C1 1846860586 JMEOCWJTDDJDNJ-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847568820 HYRKXDAZQYYJNQ-JYJNAYRXSA-N 439.557 0.722 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CC1)c(=O)n2Cc1ccccc1 10161530 QDHIHCBOSFTEHK-UHFFFAOYSA-N 438.488 0.621 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)c1ccc(F)cc1 108045901 MGSNJTNYORNRHO-NSHDSACASA-N 442.494 0.742 50 20 ICGD Cc1ccccc1[C@H](CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NC(N)=O 728845504 KCZVJERJENATNU-KRWDZBQOSA-N 425.493 0.949 50 20 ICGD O=C(Cn1cc(Br)ccc1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847722 MONWZJBJDCKUQO-UHFFFAOYSA-N 435.282 0.465 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)c1C 729276032 VVYQZYARRNQSSY-NSHDSACASA-N 437.478 0.056 50 20 ICGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)n[nH]c1C 732046372 SUOOXHPZYWOMKG-UHFFFAOYSA-N 448.461 0.419 50 20 ICGD O=C(NNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1)C(=O)N1CCCC1 732066429 QFYPLMWHGGISMA-UHFFFAOYSA-N 440.497 0.577 50 20 ICGD Cn1cc(-c2ncc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)s2)cn1 732653860 MOOIQDPKPZDXJS-UHFFFAOYSA-N 440.894 0.919 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744505911 MGKLCTWAWDQSKX-WQRHYEAKSA-N 431.412 0.856 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 753020383 QZVSFGWLBLWAAU-HKZYLEAXSA-N 447.492 0.904 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 753453974 ASIMIDJCBNVRIE-JTQLQIEISA-N 428.906 0.596 50 20 ICGD Cc1cc(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C(=O)O 753778097 CTRWYOXNBQUQOG-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NN=Cc1cnc(N2CCOCC2)s1 755791791 UWGARZAAJUNBQJ-UHFFFAOYSA-N 442.545 0.888 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)c(Br)cc1F)N[C@H]1CCS(=O)(=O)C1 756936809 UDGDMEIBDBMGRC-LURJTMIESA-N 448.267 0.407 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 763646642 JQJDJVYIEGNDGI-UHFFFAOYSA-N 428.445 0.998 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 763647016 LTEOCDSCOJGMAA-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763807188 MEJHFDGATVTRGZ-UHFFFAOYSA-N 430.442 0.517 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)n1 763892708 IEUCQPMXDNKYED-UHFFFAOYSA-N 442.476 0.287 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763920081 ZBQHJXVQISEDRD-UHFFFAOYSA-N 438.437 0.336 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764285362 BQPZUXPLVIKARK-UHFFFAOYSA-N 449.367 0.040 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Cc1ccc(Cl)cc1 764569250 PQCVAHKGXHEEPD-UHFFFAOYSA-N 430.896 0.949 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765736981 CVBLTJWFSNDMAJ-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 765749707 QVVPAJIWNWRSOW-UHFFFAOYSA-N 444.557 0.977 50 20 ICGD CCN1CCN(CCC(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CC1 766639719 BLMXATAMBRTYFR-UHFFFAOYSA-N 430.597 0.288 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767290334 GSLDFWUZRLBEON-KRWDZBQOSA-N 439.534 0.822 50 20 ICGD COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 768115586 YUMCBICZNCRFHA-HNNXBMFYSA-N 448.501 0.893 50 20 ICGD C[C@H](C(=O)NNc1nc(Br)cn2ccnc12)S(=O)(=O)C1CCOCC1 768227919 PLFYMOOCUQGXBI-SECBINFHSA-N 432.300 0.917 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NNC(=O)C(C)(C)O)c12 768245933 GHOCEQOHUZRVCO-GFCCVEGCSA-N 435.506 0.509 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1C 768275735 CKOOGTAZRIIFBA-UHFFFAOYSA-N 449.468 0.387 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1 769843547 MZIRWZSFJJWHJH-UHFFFAOYSA-N 442.837 0.009 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(OC)c2O)C1=O 771251302 MMUZIBBYNXCUAA-NRFANRHFSA-N 442.428 0.638 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)nn1 773493717 HNQHXQWGXFNNTE-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nc1C 778421844 RHWABCHREJZMOL-NSHDSACASA-N 439.498 0.122 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 778441860 XYQZRGQFSVCSQP-UHFFFAOYSA-N 436.437 0.305 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778443264 ODZOPTLEVSRNRX-HNNXBMFYSA-N 440.522 0.820 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)ccc21 778711946 YHFZLOWGVGMDFD-UHFFFAOYSA-N 435.440 0.884 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@@H](C)O)cc1 779512466 BVFXSVFTOHLTDA-DOMZBBRYSA-N 432.462 0.611 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783999645 QNNOVQLIAPFWQG-ZDUSSCGKSA-N 447.492 0.981 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 784003234 CEZXXFCUHORUAI-UHFFFAOYSA-N 445.457 0.216 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)c2)n1C 785060678 JLTXHXTVCMIUBC-UHFFFAOYSA-N 432.444 0.767 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)c2)CC1 785067284 JLIZKPHEVDJSAB-UHFFFAOYSA-N 449.515 0.410 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 788167251 ZPAVANPNRSZUEE-UHFFFAOYSA-N 431.946 0.971 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 796563245 FOTMAWQDKMPFTI-UHFFFAOYSA-N 425.507 0.198 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1cccc(C)n1 797371304 SLWCWYMETJIAON-UHFFFAOYSA-N 440.504 0.940 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797437579 SEWHTSZLJPPYIC-NRFANRHFSA-N 447.513 0.840 50 20 ICGD Cc1cc(-c2csc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)c(C)o1 806978321 WKIFDBSDCMKWRP-MRVPVSSYSA-N 429.480 0.044 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCn2cc(Br)cn2)c2ccccc2c1=O 807611134 VLRVITDPTCFAQE-UHFFFAOYSA-N 448.281 0.927 50 20 ICGD Cc1nc(Cn2nnc(NC(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)c2C)no1 812983497 UACDCSKOIGKSPZ-UHFFFAOYSA-N 435.470 0.725 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814211080 ZSBDNMLFANPPPN-UHFFFAOYSA-N 447.245 0.971 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)Cn2cnc3ccccc32)C1=O 818515228 NLTHAJWGBLKYGE-OAQYLSRUSA-N 438.419 0.790 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c2ccccc2c1=O 915190906 RTDDBILPXUGERX-UHFFFAOYSA-N 435.487 0.217 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2csc(C(=O)O)c2)c1 917719408 GVVVJOHYCABTNG-UHFFFAOYSA-N 433.489 0.320 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1C 919887232 YHAFIESINRGOAO-CQSZACIVSA-N 449.489 0.489 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)NCC2CC2)c1 920860198 NIBUGJOCORZZTQ-UHFFFAOYSA-N 425.511 0.128 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 920933534 URWHRSAUIWFVSL-UHFFFAOYSA-N 430.446 0.638 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNc1ncc(F)cn1 1116403943 LMMIOESYDPSSBY-CYBMUJFWSA-N 425.442 0.301 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)NCC1CC1 1317994839 HXBZGIPYIVDBGM-CQSZACIVSA-N 430.914 0.614 50 20 ICGD CCOc1cc(C=NNC(=O)C(=O)OC)cc(Br)c1OCC(=O)N(C)C 1318965245 AWKYNCJXLMNCIJ-UHFFFAOYSA-N 430.255 0.938 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1n[nH]c2c1CCCC2 1322446675 SYTSGZLDSQCZKE-UHFFFAOYSA-N 434.446 0.908 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c1 1329669771 PUKGXIKWFUVDAW-CYBMUJFWSA-N 437.547 0.654 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1779029185 NNMNYGCZWCWOAA-OAQYLSRUSA-N 440.460 0.308 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779034899 WJYJUBIKWBWHBW-WCJKSRRJSA-N 429.521 0.955 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1779546429 XAYOTVKEHHCXPP-OXQOHEQNSA-N 436.585 0.609 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334045 USVABGLXESCZIL-LRDDRELGSA-N 431.262 0.800 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210778 KKDIFZWLZQJGMH-NVEXJGOOSA-N 425.574 0.247 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782218082 ROCGZCNGGIRNRT-BDJLRTHQSA-N 425.382 0.788 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c12 1782479042 BBIQBTIWQGIGLP-JOCHJYFZSA-N 442.520 0.688 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783944319 XECSAWFJEAKTIQ-XTZNXHDOSA-N 445.303 0.626 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945791 BZDBOJRDQSPHMM-BLLLJJGKSA-N 425.265 0.115 50 20 ICGD Cc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786093301 BUGVZHBQJLYNEG-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3CCOC3=O)cc2)CCC1 1786249525 FGAPTBGESNCHNL-UHFFFAOYSA-N 431.493 0.946 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984884 UZNMPTLKYYMGJF-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788137205 JERAXHIIHNJFTC-MNXVOIDGSA-N 436.278 0.499 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791291531 XCRAUZHGTHYXAL-DZJNWNRZSA-N 433.509 0.051 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793687311 AZRZIERRIDSSTG-QEGBUVANSA-N 431.249 0.920 50 20 ICGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)CCBr)CCC2 1795116322 ACWVFJUOBUOBOK-DRXBFXEBSA-N 425.327 0.897 50 20 ICGD CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1 1795734264 MLOKRQARVBQIQE-KOUHRCEDSA-N 439.321 0.413 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795737071 ZTBXNDKFHKTCKB-KJLVNVKXSA-N 447.300 0.510 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1796394683 ZBSJMIVFNLDBFV-NDKCEZKHSA-N 437.896 0.650 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797611696 UKTFXAPEJZJNAL-HSSPYEMXSA-N 428.327 0.442 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H](O)C1)NC(=O)NCc1ccccc1 1797724486 XQPIHSFAZQFSFC-NCQGUEQISA-N 443.548 0.742 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc([N+](=O)[O-])cc2c1OCC2 1798518313 KSVBYHIVUDGQFA-VZAMPYOESA-N 439.852 0.333 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800179313 WBWZODBENLPEBO-XBCDXLOZSA-N 431.320 0.941 50 20 ICGD Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1800602975 LGPRHKCMPKSBBE-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cncnc2)[C@H]1c1cccnc1 1805790998 OBHRHMHRNNRVST-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1)C(=O)O 1807201607 RVASZUMATWMGFT-VBQJREDUSA-N 441.326 0.935 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCC=CO2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376724 XOYRFTPFRROKOL-JBACZVJFSA-N 435.289 0.774 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305621 NOWPFPVHRINJLB-DDUZABMNSA-N 426.477 0.435 50 20 ICGD COC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1812692630 NKOFCJHWGKPAGS-LPHOPBHVSA-N 445.520 0.414 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1813074498 TWGQZPDYAQLGRJ-JTSKRJEESA-N 441.536 0.735 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(O)n1)CC2)c1ccc(B(O)O)cc1 1815339428 FLTMEGFHGMZLIM-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471663 VDBMDFUGJYZMEE-SFHVURJKSA-N 427.314 0.784 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1817738151 OWFBEBIGJJYKKJ-CQSZACIVSA-N 437.290 0.461 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819591634 DOFMPDOZVVWKID-CYBMUJFWSA-N 436.545 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)[nH]n1 1822410322 FRGFEQSLMOKCFJ-INIZCTEOSA-N 443.508 0.787 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317745 OTUUCPOQUOQFCL-FQEVSTJZSA-N 436.321 0.632 50 20 ICGD CC(C)n1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826086492 WSTMNOFSYWRFGW-LBPRGKRZSA-N 448.553 0.914 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@]3(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826262028 RQQILUCAZTZWMB-FTLABTOESA-N 437.689 0.973 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829770356 LENIWLXAQQMJIO-HCZHMGAMSA-N 439.585 0.153 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1O 1830732975 CSMPBHOPELDKRH-QRWLVFNGSA-N 442.896 0.461 50 20 ICGD N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(Cl)c1 1830733975 XJXFPIVPFKUEGH-QFBILLFUSA-N 442.299 0.881 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1 1833214825 PGDHRFIRXYKBOQ-GOSISDBHSA-N 445.004 0.974 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2ncccn2n1 1835540387 YUHQYHWJLYVYTL-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836386355 QQYHTHKHEINLDN-HNAYVOBHSA-N 444.937 0.743 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839519225 BYAJVMIJBBLIBV-KSSFIOAISA-N 427.910 0.899 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006189 SZCYGGDXYUWMFF-HJXCVWKLSA-N 428.913 0.804 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840155801 ICQDEULKKHZAGY-UZLBHIALSA-N 426.897 0.645 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842075709 XKLMRNUCCWXCKB-UHFFFAOYSA-N 426.477 0.740 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011825 XVZCACYOHXKXNZ-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD O=C([C@H](Br)Cc1ccccc1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066847 IYXLABNNYLHVRX-BBWFWOEESA-N 436.350 0.919 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2 1846383859 CTWQXWQELUWGSI-GHTZIAJQSA-N 428.533 0.859 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)[C@@H]1COc2ccccc2O1 116461210 ADKFEXPJJJIHOQ-NSHDSACASA-N 431.879 0.667 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 726252441 HTWOWABJGZALEG-UHFFFAOYSA-N 444.517 0.157 50 20 ICGD CCCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728331287 IDXKULGTEGNQGM-PBHICJAKSA-N 433.461 0.698 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNC(=O)Cc1cc[nH]n1 730103032 VGFDCNTTWIUFMH-UHFFFAOYSA-N 427.202 0.134 50 20 ICGD CCN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(=O)OC(C)(C)C 734587602 DDAYLVYYCVOVBE-OAHLLOKOSA-N 437.449 0.774 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 737636412 NHUZMXQQZGMLMD-UHFFFAOYSA-N 428.430 0.076 50 20 ICGD COc1ccc(Oc2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)cc1 741204681 PDKUKJUNZJCWRT-GFCCVEGCSA-N 443.503 0.735 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 746550798 VPVLHWHINSBYHA-CYBMUJFWSA-N 426.389 0.830 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1)N[C@@H]1CCS(=O)(=O)C1 746694813 DYKUBDALCCGIHG-ZCFIWIBFSA-N 446.290 0.371 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747901392 VJWDZNCTDZGMHX-DNVCBOLYSA-N 430.530 0.699 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1C 748247659 UGNIZPQAMUGRSZ-UHFFFAOYSA-N 438.550 0.667 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 749343786 BZTFXDYAQLXISW-UHFFFAOYSA-N 429.499 0.406 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)o2)c1 751291071 RJVFTCQXWCPEIC-UHFFFAOYSA-N 429.476 0.149 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CCCCS3)nc2)CC1 753260936 GPCWNPYPWHAZKW-AWEZNQCLSA-N 428.584 0.930 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1 753524385 SJRZFIBNVOKFJL-UHFFFAOYSA-N 442.675 0.635 50 20 ICGD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758031258 VRMLCLJXVICBBW-QOLSXCEWSA-N 442.582 0.429 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 758066556 CFPGLVSFSKULAJ-UHFFFAOYSA-N 443.485 0.145 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760438489 VNALOJHTXSTHSV-LBPRGKRZSA-N 439.494 0.287 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 762326047 GRGGSNLXAJVJKJ-STQMWFEESA-N 427.502 0.700 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763570801 IBSYEWOALUBDGQ-INIZCTEOSA-N 429.385 0.408 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 763863815 CKTWYVJVVILUQG-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)N(C)C 764091310 BAPYNBHFPPJSMW-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764127077 SPQXEBHBSPTPGQ-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1 764177453 OHLCXZDTYNIDTC-UHFFFAOYSA-N 445.432 0.637 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764269190 ZWMDJTAPMLUSKD-UHFFFAOYSA-N 449.489 0.059 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)o1 764371417 OHYUQDRFDRSEGW-AWEZNQCLSA-N 435.458 0.940 50 20 ICGD CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765726143 ZBZYPCIWDOZWAA-CQSZACIVSA-N 440.504 0.898 50 20 ICGD COc1ccc(NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 768339680 ZTPGDVISFBPANX-JTQLQIEISA-N 426.455 0.764 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772196025 XATXAXWBXAJNEN-FKIZINRSSA-N 449.895 0.604 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 774327868 SCGDLCZJQSSMFL-LLVKDONJSA-N 437.444 0.312 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[C@H]1OC 776526855 RKSVCQAXGHVXQM-GVDBMIGSSA-N 440.522 0.608 50 20 ICGD CN(NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(N)=O 778418235 LKPMEJWIFAEHQD-UHFFFAOYSA-N 425.511 0.353 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 779548979 ZANUMKWWVHAYGD-HUUCEWRRSA-N 448.888 0.808 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 784003473 XLZZFLDPMLMPSB-LBPRGKRZSA-N 438.868 0.464 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C)n1 784230644 OTOIENDXHQODOJ-UHFFFAOYSA-N 446.533 0.716 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)n1 784842676 SZICOFFJGFQXNN-UHFFFAOYSA-N 442.476 0.568 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccnn1Cc1c(OC)cc(OC)cc1OC 784916873 YNUQOCHCMGBDIO-UHFFFAOYSA-N 434.453 0.588 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1N1CCNC1=O 787542063 ZLKHKAKLCPQEMR-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794060872 QQIJMLLIAGTIQU-UHFFFAOYSA-N 446.485 0.838 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 794392669 JELQJBNUUVLSFW-UHFFFAOYSA-N 432.912 0.252 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1 794581298 KECKMGDABHPPCC-MRVPVSSYSA-N 442.313 0.137 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 801798418 VEEKYNHUILDEPN-KDOFPFPSSA-N 448.501 0.914 50 20 ICGD Cc1ccc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)cc1 804867962 PWEYMZNOXWUVLH-UHFFFAOYSA-N 444.517 0.991 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804953553 UWFZRVQVBFQYDJ-VTGFLYEISA-N 446.471 0.909 50 20 ICGD CC(=O)Nc1ncc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 808111880 UAQAGPTZODENHM-UHFFFAOYSA-N 427.464 0.337 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815569140 IVQLUJRJQJTEBT-LURJTMIESA-N 446.791 0.262 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 825643558 DFHUQOXCIIVNEI-UHFFFAOYSA-N 431.405 0.601 50 20 ICGD COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)Cc1csc(N2CCOCC2)n1 863967784 WTXVDZGHMSICQC-UHFFFAOYSA-N 446.537 0.654 50 20 ICGD CCN(CC)C(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 920310822 ZBNXSAIEWQRPSH-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCOC[C@H]2C)c1 1115996812 VIEQGSXJIAFBOF-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)CC1 1322956836 FYYUKWWLSFZZLJ-UHFFFAOYSA-N 430.465 0.586 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778310906 TUMKXBTUJNAZFA-QGZVFWFLSA-N 441.410 0.471 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnc1C 1779028227 HOSGFCAZHKADGG-QFIPXVFZSA-N 438.488 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1779032731 XCUPKTNZUZIOIF-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1779158650 RWLYFFCJFGTFRQ-SGSZHJQISA-N 441.492 0.225 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)[C@H]1SC(=N)NC1=O 1779296004 ZKXYJGLFXKJBPB-WPKBUWHJSA-N 442.614 0.470 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1781230602 VZCBZNVQDKICEG-IRXDYDNUSA-N 431.276 0.855 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1782159672 DLKIHRNSDMDOJC-FXAWDEMLSA-N 433.896 0.619 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cccc1 1782213976 DPWDFXNIKUFUSV-NJNPRVFISA-N 433.553 0.936 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782403216 GLBDMVUYBRNUBL-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3sccn3c1)CCO2 1783934129 ZMOPOOXOSNKFBO-FQEVSTJZSA-N 433.534 0.817 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc2cccnc2nc1O 1790363500 YSRXPBWIFOKESL-TUUVXOQKSA-N 434.880 0.528 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cccc(O)c3)[C@H]2C1 1790920291 IQLVYIVDKLAWLN-MKTSTNRYSA-N 444.532 0.758 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1790964370 NHTUCEUEZDNLIS-YTFOTSKYSA-N 428.331 0.992 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1793248554 NXXKKRMTNLZFED-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD COc1nn(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794923121 ITPWGKKREGWEIZ-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)[C@@H]1SC(=N)NC1=O 1795112342 ALJYVZXFBBWXBF-QTCIEIIFSA-N 447.355 0.163 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797551091 PTLZZYZUYDWGGV-BWPSIRRCSA-N 436.306 0.917 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)(C)C 1798439668 VARXEYKXHHTJQD-KRXQYRFLSA-N 444.536 0.488 50 20 ICGD Cc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)nn1C 1798714557 VSNYBAIJWWVXJE-LSCVPOLPSA-N 449.733 0.294 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1799279925 XRSKZESBOSQPBK-FSPSUXSGSA-N 427.350 0.390 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800638862 AXAOFGJUACKIGN-IVSAIRAKSA-N 432.359 0.472 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1800644517 YJCHRKICWDPVQW-QVHKTLOISA-N 426.311 0.971 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2 1800974478 VJHZCHRGVWISDT-YFUQURRKSA-N 426.897 0.572 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc(C)c1O 1801012066 AEEOWTJBXYKCAT-XEMDLRDOSA-N 432.521 0.585 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)C1 1802262541 LHLHZBDBVKOEDI-RZFLPCETSA-N 436.553 0.977 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1)[C@H]1SC(=N)NC1=O 1805523610 QGVWXSJFOJSENV-YNEHKIRRSA-N 430.958 0.620 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806380812 OGPYNJIIVZKDDP-IIBYNOLFSA-N 433.509 0.414 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364558 FWIHOCCFIIPXNF-GCJKJVERSA-N 447.304 0.437 50 20 ICGD Cn1cccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369538 NEABMGGAAAIFFX-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369829 WYHFOIYMTOVJSO-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD Cc1[nH]nc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1F 1809967677 CYEZGCPFAFAGCD-UHFFFAOYSA-N 428.273 0.696 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815062329 JKVOCKASGDYJJX-QWRGUYRKSA-N 427.603 0.499 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccnnc1O 1820053133 YJSNSLQQXLFWFP-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)c1ccc(B(O)O)cc1 1820528787 GFKKRLVULWEKDN-CYBMUJFWSA-N 441.274 0.448 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822859396 CDUGKSNYKFODPQ-VPTHRUTESA-N 448.332 0.843 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)(C)C 1831094251 QDZVROICPATQSW-ACJLOTCBSA-N 438.352 0.797 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831827731 JGRPQLAQTFFHLZ-HUUCEWRRSA-N 428.917 0.412 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCOC2)CC1 1832377070 AKLIORGUTOJXKT-LPHOPBHVSA-N 429.521 0.955 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1834822598 XKONQYWCSSABAM-SFHVURJKSA-N 442.310 0.090 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835372612 UWRNHJVZKSUDNZ-LPHOPBHVSA-N 446.386 0.960 50 20 ICGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718232 LVWQGBFOMIQMQD-AWEZNQCLSA-N 429.861 0.530 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837381130 MQSJOBFEWXREPB-KXBFYZLASA-N 444.605 0.002 50 20 ICGD Cc1ncoc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837529316 WGSIWMYWXPICNZ-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)CCBr)CC3)CC2)=NN1 1837653579 DFLYTUBSTYCGPU-UHFFFAOYSA-N 429.315 0.646 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710216 OGGCRQXUAGKTJX-KXBFYZLASA-N 429.590 0.209 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1837715591 ZBJRYNZBSDJPLL-HCZHMGAMSA-N 439.585 0.129 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1 1838346435 TXTJGSAVRDXOTP-IBGZPJMESA-N 426.901 0.820 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030808 WXOYCKZSGZSMDM-YVEFUNNKSA-N 429.315 0.582 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034074 ZTJIBZXETOHYNY-PIGZYNQJSA-N 429.315 0.880 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840152015 UNWSSXCCAUWSNT-PXAZEXFGSA-N 432.930 0.358 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840684660 XPIDBPWZBUJHBB-LPHOPBHVSA-N 430.860 0.504 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840712331 FZOJAMDVPPPVRU-FQELHTAISA-N 435.908 0.983 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)C1 1841640141 AIUZPKFGESCEEJ-UHFFFAOYSA-N 447.300 0.602 50 20 ICGD Nc1nc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)ccc2s1 1843011051 JQCVPNHJINYPPT-UHFFFAOYSA-N 436.302 0.689 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013202 UHPLWTQLQUHMGP-NRFANRHFSA-N 433.317 0.240 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 16786021 MXJNVFCLBRCNRF-NSHDSACASA-N 449.938 0.320 50 20 ICGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 726716690 DWSWHYRDLVZGGU-QGZVFWFLSA-N 432.525 0.760 50 20 ICGD O=C(COC(=O)CCOc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1COc2ccccc2O1 728324776 DNDJUIFFXVOTSU-QGZVFWFLSA-N 445.384 0.894 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2OC)cc1 731498334 MGBNEKIMSKAHDS-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 732197289 NURGELMCFYNRRF-AWEZNQCLSA-N 429.543 0.570 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734240600 UPDFMYXDEYZAKI-CWTRNNRKSA-N 440.501 0.342 50 20 ICGD O=C1NC(=O)C2(CCC(C(=O)NNC(=O)c3cc(Br)ccc3O)CC2)N1 743732147 MFADIXPNEOPCMW-UHFFFAOYSA-N 425.239 0.684 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)NC2CCCC2)c1 744059529 PZUQAAVKOZGDBB-UHFFFAOYSA-N 439.538 0.660 50 20 ICGD Cc1cnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 745877222 MIGNTQNRXJJJFA-UHFFFAOYSA-N 439.519 0.617 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cnnn2)cc1 751294420 FPCFTSBONOEYHK-UHFFFAOYSA-N 445.436 0.317 50 20 ICGD Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756078102 AYNBLKAVMVHZIQ-UHFFFAOYSA-N 443.913 0.667 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 758047245 KDFNLYYUYRHDKZ-MRVPVSSYSA-N 437.375 0.729 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 762360547 FJOIQMSUNIOXCN-UHFFFAOYSA-N 429.458 0.194 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc2)CC1 763555328 COYSCIISLNNCTC-UHFFFAOYSA-N 441.463 0.890 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 763647803 QRMZRDAHFQKCBE-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cc21 764184900 GEBLYTMAWNHADM-UHFFFAOYSA-N 439.472 0.875 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1S(=O)(=O)N(C)C 764319731 SGRZFCUZDCJJNW-UHFFFAOYSA-N 436.465 0.713 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 764425178 NODUGQSYMJCXHK-CYBMUJFWSA-N 427.339 0.392 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764606787 HJONCTDYVJEXMX-ZDUSSCGKSA-N 426.458 0.642 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OC(F)F)c(Cl)c2)n(C)c1=O 764813348 ZCEWTLDCIHSHBL-UHFFFAOYSA-N 440.794 0.839 50 20 ICGD O=C(NNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1csc(N2CCOCC2)n1 765197908 YMRJXRDEBNEATG-UHFFFAOYSA-N 448.480 0.822 50 20 ICGD Cc1nn2c(C=NNC(=O)C(=O)NN=Cc3c(C)nc4sc(C)nn34)c(C)nc2s1 765547907 FVWSHZHCDOALPE-UHFFFAOYSA-N 444.506 0.729 50 20 ICGD CC(C)Oc1ccc(Cl)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766636823 PJIIIOCTOQOFJG-UHFFFAOYSA-N 448.867 0.336 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1c(C)nc3ccccn13)NC(=O)CC2 768234568 UUZWGNQJIIWEHY-UHFFFAOYSA-N 436.428 0.936 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 771606888 KFAMKXNPLRHYKU-UHFFFAOYSA-N 434.861 0.807 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772898289 PSIKNPMMPBNVCB-OAHLLOKOSA-N 444.941 0.698 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)C1 773418386 UAAWPHRBEXIPAG-SNVBAGLBSA-N 432.524 0.804 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 776180908 GBTGOYWKQGHCFI-GFCCVEGCSA-N 427.383 0.764 50 20 ICGD CCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 777749332 UOUDLSWUHDERBS-UHFFFAOYSA-N 443.485 0.871 50 20 ICGD C[C@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc2N1S(C)(=O)=O 778445320 IFVBIVKSRVCQGY-NSHDSACASA-N 426.495 0.683 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 783039779 TXCFJRPGSNUOFJ-LJQANCHMSA-N 440.456 0.791 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 783428741 WWAQOEJPSZFZFD-KRWDZBQOSA-N 436.881 0.534 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 784916314 NRCRNCMFHGOAPL-SNVBAGLBSA-N 425.417 0.138 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2cc(C)ccc2C)[C@@H](C)O)cc1 791785352 MVEOQPSAESAPBE-UZLBHIALSA-N 449.529 0.866 50 20 ICGD COc1cncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 799121422 YUCNRFGPOXYIPD-UHFFFAOYSA-N 440.503 0.498 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806979327 YEOISOGCPKRGQI-UHFFFAOYSA-N 435.160 0.915 50 20 ICGD C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807507390 QNAZHTZILJWRKN-ZBFHGGJFSA-N 440.522 0.324 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 807513464 CAVOMKFTCXBOBZ-ALOPSCKCSA-N 447.536 0.878 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1OC(C)C 815691937 FZCQYKCUGFMDAC-GFCCVEGCSA-N 444.448 0.200 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815779482 HQEQKSCRKWNHBI-SNVBAGLBSA-N 448.173 0.464 50 20 ICGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816817929 NHUHNSDEWKAIOE-CYBMUJFWSA-N 437.460 0.672 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c1 917737076 GPOBNCYDWPHHGR-UHFFFAOYSA-N 438.483 0.900 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779077518 COFQQROXHVEWIQ-TZIWHRDSSA-N 448.350 0.070 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779411643 PIWJVVIMPDOTKN-ACZWYYKOSA-N 431.961 0.558 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)n1ccccc1=O 1779519366 NNFNPOALMAHUNF-QCBUCWTNSA-N 425.913 0.523 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781223938 FRBLYPIIVUOAFQ-JKSUJKDBSA-N 427.350 0.959 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782388390 PZEATPLIKHOQDX-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783530112 RZICUPOKWIMKCA-UFBFGSQYSA-N 449.195 0.955 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CNc4ccccc4O3)C[C@@H]21)[C@H](O)CCl 1784091747 AGHJURWKWKIOKN-XQWZKXDRSA-N 437.924 0.829 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785333434 PNZHWIINTKSXCD-UWJYYQICSA-N 437.924 0.890 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C[C@@H]21)c1ccc(B(O)O)cc1 1786983881 UVSYPSDBKBHDJB-RKDSJROLSA-N 440.349 0.786 50 20 ICGD CCc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984211 QODNXSQEQNINBF-WBAXXEDZSA-N 443.334 0.292 50 20 ICGD CN[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1)C(=O)O 1788065488 WJGOJMRRQFYXJJ-MRXNPFEDSA-N 433.509 0.556 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=CCCS3)C[C@@H]21 1788611419 AMPGHEUTNGRRLW-RCBQFDQVSA-N 431.518 0.299 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-n1nccn1)c1ccc(B(O)O)cc1 1800579096 HYKQFIBWYZSPOT-REPLKXPHSA-N 445.288 0.513 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800760092 ZVJGLGOQFIEEGE-LVQVYYBASA-N 443.386 0.139 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1805832803 MLTGTFIXYKQLFZ-XLIONFOSSA-N 434.261 0.691 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807113835 VNMYRCFPKSPVAP-YOEHRIQHSA-N 437.342 0.712 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362352 KCQLVIGYELOCAY-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1807369518 MSWKFLAELDDIDA-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299606 SVPOWYJFKWJJQY-JXFKEZNVSA-N 438.488 0.769 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813033895 WNAXMHVKVWNSAM-BXWFABGCSA-N 439.944 0.714 50 20 ICGD CC(C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350309 PFBBRHBTDUJSFH-AWEZNQCLSA-N 431.323 0.864 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CO)o1)CC2)c1cccc(B(O)O)c1 1815360912 RFMKEMSLGADRFU-CYBMUJFWSA-N 441.274 0.448 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817359036 MBABOVGPHOJEPC-DFAYQTQMSA-N 433.282 0.685 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817470033 GIYYWRDZWHOAIS-LPHOPBHVSA-N 438.249 0.722 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824488857 JKYMNMUMTOTNPG-LAUBAEHRSA-N 426.322 0.638 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080582 SONGRKGUTPJEIE-CYBMUJFWSA-N 431.522 0.840 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1830357824 KYAVHRUOFIVNJI-LAUBAEHRSA-N 438.956 0.673 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1830534055 WAKJURLWWFNAHI-GJYPPUQNSA-N 446.386 0.958 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)s1 1830724272 DXYQJBOZGCLKFK-YJBOKZPZSA-N 431.942 0.359 50 20 ICGD Cc1ccncc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725589 KFNLRSWLUSDBQS-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833451769 XMXRWLFGOHZNFL-BEFAXECRSA-N 428.917 0.308 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1834818797 AWNLNEOQMLXAPK-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835621913 YLVWDQUKWNJGJH-DIFFPNOSSA-N 445.314 0.666 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)N1C[C@H]2C[C@H]2C1 1837281749 HCLAMZUZCPAMEO-JEWRLFTDSA-N 444.370 0.568 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CCC1=O 1839150503 NZNLHPRMTKMOIJ-ZWKOTPCHSA-N 449.335 0.287 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840031350 NARRUQUBKFPSOK-BZNIZROVSA-N 447.717 0.983 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150501 MXJVDRBQNDWFSR-OXJNMPFZSA-N 425.913 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840434075 QCUNTTVREUYEML-BXWFABGCSA-N 428.917 0.229 50 20 ICGD Cc1cn(CC(=O)N2CC3(CCCN3C(=O)[C@@H](C)CBr)C2)c(=O)nc1O 1841290076 LJFKYPZSERGGSE-NSHDSACASA-N 427.299 0.492 50 20 ICGD COc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1841932812 HWWFJKVUHBQXHS-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1845170183 DCGAXYAKYJMSML-HNNXBMFYSA-N 435.333 0.891 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)c1 14057518 OXDBZLHQPWRINB-UHFFFAOYSA-N 440.428 0.406 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 725907503 PEGJCLDLYBWJHN-UHFFFAOYSA-N 437.456 0.326 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 728975337 LALPUIKCIRWEMV-UHFFFAOYSA-N 432.430 0.624 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 729519333 TUNKOXSLLUOHJI-MRXNPFEDSA-N 443.489 0.139 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CCc2ccccc2O)c1 729964829 DJOWBIULDLDLBV-UHFFFAOYSA-N 427.504 0.585 50 20 ICGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118348 SURRQSIPOLBPIX-LSDHHAIUSA-N 427.527 0.045 50 20 ICGD CCCC[C@@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737061123 IZRFGMWASMZUGW-INIZCTEOSA-N 442.538 0.857 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)n1nnc(-c2ccccc2)n1 742471636 STFJGJMWAKKPQF-CYBMUJFWSA-N 443.489 0.613 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)n[nH]2)cc1 746395978 WNPMCFUVOPTIQM-KRWDZBQOSA-N 440.504 0.327 50 20 ICGD CC(C)OCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 748790539 JIRWTILTWVKZFK-UHFFFAOYSA-N 433.552 0.850 50 20 ICGD CCN(CC)C(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751282216 KJHRESVUAMJUMQ-UHFFFAOYSA-N 438.531 0.970 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)cc2C1 755054436 AEOXPFSRWGCBRR-GHMZBOCLSA-N 425.536 0.734 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(I)c1O 755223049 NXQFGCIHZJNHPQ-UHFFFAOYSA-N 429.170 0.781 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C 755394966 XMWPXRZEZZQLKB-LBPRGKRZSA-N 449.555 0.116 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 757996124 FLRCTCFSJMUILV-VIFPVBQESA-N 425.858 0.488 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)cs1 761526418 CJDBFVPYZHUIRH-UHFFFAOYSA-N 434.293 0.998 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCCc1cccs1 763028803 JEBPZZBBQBUIPN-LLVKDONJSA-N 439.519 0.087 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccccn2)c1 763464433 MHJGNYIYFCHQFX-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 763509239 OTFVAOACJFRQNW-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 763511838 IEBCQIHWIPXIRN-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1F 763807432 BPCHQGZRJVIVNZ-UHFFFAOYSA-N 427.392 0.564 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 763831676 RBZRLYJQKXQRQB-UHFFFAOYSA-N 426.477 0.904 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 763917253 SIFGBEDJHFFKAD-UHFFFAOYSA-N 441.276 0.758 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 763997580 AAGSMKGKNLCXRI-UHFFFAOYSA-N 433.490 0.599 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)on3)cc2)CCN1 764016236 JXGZKAXTHUTNCU-UHFFFAOYSA-N 448.439 0.678 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CCCc2ccccc2)cc1 764223296 FQTGVAHJEFBYMK-UHFFFAOYSA-N 432.502 0.845 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 764292472 BEWUEHXTXIXCSP-UHFFFAOYSA-N 432.440 0.941 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cc3ccccc3o1)CC2 764341795 KIPVSETZDCQOQW-UHFFFAOYSA-N 442.453 0.691 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 764423993 FIAIWJDZFYECDJ-OAHLLOKOSA-N 446.439 0.312 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cn1cnc2ccccc21 764535099 ZDAMQXISIYTJCP-CYBMUJFWSA-N 426.458 0.422 50 20 ICGD O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765738335 JTPSQGWAFKXPKG-IBGZPJMESA-N 436.468 0.894 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(N4CCCC4)nn3)CC2)cc1 766644675 OGQQKZQVOSUFND-UHFFFAOYSA-N 437.548 0.964 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C2=S=C3CC[C@H](C)CC3=C2)n(-c2ncccn2)n1 768239453 ZSOBBIOFEJFFOP-NSHDSACASA-N 439.501 0.895 50 20 ICGD COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 772948545 UAYYGYUAGJCANR-RYUDHWBXSA-N 447.373 0.348 50 20 ICGD COCc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 773523944 JTTRTJYNMHMSLT-UHFFFAOYSA-N 448.501 0.548 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776052529 AMYCOQZBRJVTNO-ZDUSSCGKSA-N 437.478 0.873 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 778436160 FDIMWGZODARLNQ-UHFFFAOYSA-N 449.489 0.590 50 20 ICGD COc1cccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 780772677 WOOPXHAZAWIVTB-UHFFFAOYSA-N 435.506 0.934 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 781378401 IRXVPRIVWQMEPF-GJZGRUSLSA-N 440.570 0.968 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3nc4ccccc4s3)cnc2n(C)c1=O 782813341 VWWFANRCAURTLF-UHFFFAOYSA-N 425.430 0.324 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)ccc1C 783264450 QALQXVOZKQEKCG-UHFFFAOYSA-N 449.489 0.945 50 20 ICGD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 783815950 LSVWFUUGUBXMDJ-MRVPVSSYSA-N 426.860 0.236 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 784917839 ZNWALJSVGLRXJU-UHFFFAOYSA-N 429.499 0.357 50 20 ICGD NC(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 786125717 LYUVSMMKWGKDQX-KRWDZBQOSA-N 443.412 0.085 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 795152544 SKSTXGGDQKFKRK-UHFFFAOYSA-N 426.520 0.994 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 802031683 LNDNLKQUSKYZOA-MRXNPFEDSA-N 448.461 0.808 50 20 ICGD COC[C@]1(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)OCCc2ccccc21 811851768 RACGWBJCBNEBDU-NRFANRHFSA-N 437.460 0.721 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc4cccnc34)c2)CCN1 812980711 WSMCKRSWVOKPRM-UHFFFAOYSA-N 446.467 0.566 50 20 ICGD Cn1ncc(C=NNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)c1N 814778617 OCPFDUVCABUMST-UHFFFAOYSA-N 428.474 0.950 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 815569908 LLEPNUHLRPPBPO-UHFFFAOYSA-N 428.371 0.776 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 821727786 LORBIHUBOOZOTG-UHFFFAOYSA-N 449.533 0.452 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 914532025 UXGPUMMUOQZKJO-WCQYABFASA-N 448.339 0.483 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cc1OC 916108475 AXVMBXPVPPXOBY-UHFFFAOYSA-N 437.430 0.142 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccccc1 916516671 NMNFDLXTAJIWAB-UHFFFAOYSA-N 432.506 0.178 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc2c1=O 1116306704 HUUNXAPADKRMPV-IRXDYDNUSA-N 428.493 0.255 50 20 ICGD CN1CCc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1777918649 HSTSXTWOTDLBQP-XMMPIXPASA-N 449.316 0.116 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3F)[C@H]2C1 1783384699 SZRADUNMFVGHQE-QEJZJMRPSA-N 439.463 0.326 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935349 QLJYNOFKAKHHEQ-HRAATJIYSA-N 432.525 0.085 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1783936509 OPEFLHONMFKBGR-HXUWFJFHSA-N 439.463 0.836 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783936922 XTMHLPIXKYAFAZ-FQEVSTJZSA-N 437.928 0.860 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783966307 DRXZMZUVNYRWMM-DGVSKKNDSA-N 448.358 0.148 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1783974102 HMKYDVAPMWXHNK-CYDGBPFRSA-N 437.356 0.815 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1790962452 ZGDPGFMVIXKAKU-FQKPHLNHSA-N 430.343 0.666 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782099 RSRZWEBTOJUVHL-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797814888 BWEYPIAAFHGXKU-JOBSXFSDSA-N 436.278 0.796 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)C1 1798439639 RKVYZANRACXYAD-DGADGQDISA-N 443.504 0.526 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800158464 SQFMBSPKIDSVGD-CTRAYCPCSA-N 434.924 0.596 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)n1ccccc1=O 1800759486 RFZGLGLYHYWYOR-YMSVYLFOSA-N 426.311 0.782 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1801283690 GCQGAQUGKFKOMC-YALNPMBYSA-N 439.944 0.312 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccs1 1801291884 KRPIXSDWGGRJGN-AMVTXUCVSA-N 428.319 0.435 50 20 ICGD CN1CCC(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)CC1 1804936559 ICOZLJODIPNONW-UHFFFAOYSA-N 442.564 0.872 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805518181 CGCHFGIGVZJANZ-AWEZNQCLSA-N 444.941 0.283 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cccnn2)[C@@H]1c1cccnc1 1810723665 MTBNFONLOAXUDX-KXBFYZLASA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)no2)[C@H]1c1cccnc1 1810982599 HGCSSPGNGHGSEP-AUUYWEPGSA-N 430.465 0.468 50 20 ICGD Cn1ccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339423 FKDRLKKCLFNXEH-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD COCCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817046759 IXGAGQAPPXPWKL-KRWDZBQOSA-N 430.270 0.058 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n[nH]1 1830539347 GJRSPSWLWRZYGE-UGSOOPFHSA-N 443.342 0.748 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833487486 NGJIVTBYNGKVLP-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833785372 PAXIZKUGEHFAJG-MRXNPFEDSA-N 430.868 0.897 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834071706 DZAZNANBLNQQGI-OAHLLOKOSA-N 425.917 0.621 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CN)CC2)CC1 1835118361 TXGIVAXTTSAUAK-CXEIWHQESA-N 445.568 0.287 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411601 HFGWCXXFNALNKW-ZWKOTPCHSA-N 436.336 0.302 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835977214 XEUPWUQWGMRUBE-WBMJQRKESA-N 449.733 0.776 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447249 WEOBONMFWFJEMI-ZKWKGFFBSA-N 445.358 0.698 50 20 ICGD O=C(c1ncccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838250889 ZDVOOKORSCCRFS-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838509204 AGRBUNCJBJOAAX-MLGOLLRUSA-N 429.861 0.691 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838985218 QEVFTUGDYXQQFP-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840032476 ZOCGOTJYWVCOST-SJCJKPOMSA-N 429.267 0.493 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840032566 CHQODYNAQZLYAO-XNJGSVPQSA-N 434.331 0.093 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1840144642 GYVJKOLOIYLRIY-KSVNGYGVSA-N 446.928 0.022 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840152033 VATPZOWOQXJJTE-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840154642 BCJZEXAOXIPXDG-YWZLYKJASA-N 436.896 0.658 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840684659 XPIDBPWZBUJHBB-APWZRJJASA-N 430.860 0.504 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1841913402 AIFTYRDFVHJLHL-INIZCTEOSA-N 433.892 0.866 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843013171 PUMAEDJWKXASEG-UHFFFAOYSA-N 437.305 0.328 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)C(=O)CC3)C1 1845623333 HZOZHZHDIFFWRL-UHFFFAOYSA-N 433.468 0.945 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n(C)n1 1848338423 YJDXJLMLHJWZKL-LCBPUBMQSA-N 427.465 0.378 50 20 ICGD O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 10913453 LHAYQACNTRYLBD-UHFFFAOYSA-N 425.357 0.378 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(F)cc2Br)cn1C 725888149 HXLNYWWFIDXZLN-UHFFFAOYSA-N 448.274 0.370 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728729617 SHUKEFUDNPLHLT-CYBMUJFWSA-N 446.551 0.279 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728851775 WQFYDOZJGOYQPL-UHFFFAOYSA-N 431.518 0.086 50 20 ICGD O=C(COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)NNC(=O)c1cccs1 730619197 CZQUBGWMVPYMPU-CYBMUJFWSA-N 445.453 0.877 50 20 ICGD CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 732407653 FVVKHUVZMBXYDJ-AATRIKPKSA-N 427.373 0.367 50 20 ICGD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 734221167 LNODPJLPLJRKPZ-LSDHHAIUSA-N 439.538 0.528 50 20 ICGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cc(Br)ccc1O 743730210 SCOZDTIBUDGLEB-UHFFFAOYSA-N 425.239 0.780 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)c2ccccc2c1=O 753035758 IUXUAKFNCJOFCG-UHFFFAOYSA-N 449.533 0.965 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 753428325 MFAOLMOQKIOBBH-UHFFFAOYSA-N 444.491 0.708 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)cc(OC)c1OC 753564358 UILURKQVPBZARR-UHFFFAOYSA-N 427.435 0.429 50 20 ICGD C[C@@]1(c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 754525011 NUCOGWLHKQJAAQ-NRFANRHFSA-N 435.396 0.231 50 20 ICGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 755549587 BLBZZNZQWUGNDO-UHFFFAOYSA-N 440.913 0.630 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756087316 BVDWBUCWYGTFOP-AWEZNQCLSA-N 439.538 0.958 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 758039179 IGGLPTMOZCXKNO-TZMCWYRMSA-N 428.511 0.380 50 20 ICGD CCC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1CC(=O)NNC(=O)C(C)(C)C 759716730 FLFXPYYOIWUARP-OAHLLOKOSA-N 440.589 0.160 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccnc1OCC(F)F 760732409 AMBFBDLCXGZRDQ-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761254787 SLFSUPMIFQVLEM-LLVKDONJSA-N 434.478 0.850 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)cc1Br 762744916 PADOCRXENDROLK-UHFFFAOYSA-N 429.252 0.575 50 20 ICGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 763272885 RZLMMXUODOUYIY-FQEVSTJZSA-N 446.515 0.539 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 763646761 JHONGACPVYXIOT-UHFFFAOYSA-N 427.461 0.700 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(C)c2)cc1 763738360 TYDZMJISCMTEPS-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(CCN2CCCCC2)cc1 764003043 XBFNQOTXHATSHA-MRXNPFEDSA-N 436.534 0.236 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 764004350 DRVJVSAGPKBNME-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764353924 MXJIBJCPHUKTTA-UHFFFAOYSA-N 449.489 0.059 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@]2(OC)CCOC2)c1 764810073 MWTCZRBMJVICGI-SFHVURJKSA-N 428.511 0.467 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766641143 DZQQLPBRNQXSJD-UHFFFAOYSA-N 441.532 0.994 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=S)Nc2ccccn2)c1 768585378 HYAMFRYFVCZNSW-UHFFFAOYSA-N 436.519 0.080 50 20 ICGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(Br)c(F)c2)o1 771674309 DJLVUDXHHMATFZ-UHFFFAOYSA-N 435.231 0.702 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 771874636 LBCXKZWWPHVGDE-ZDUSSCGKSA-N 427.479 0.119 50 20 ICGD O=C(Cn1cc(Br)ccc1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772183917 RKEATAAQOGHDBR-UHFFFAOYSA-N 441.669 0.728 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 772364607 HYTMIACMICTSQP-LZVRBXCZSA-N 442.831 0.735 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776836883 VZJSYAKLFQRFNP-CABCVRRESA-N 425.530 0.476 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 780369846 JYMPDDJLDWTKFO-UHFFFAOYSA-N 441.487 0.331 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1-n1cnnn1 781676298 OKYDFTBPHFFDGR-UHFFFAOYSA-N 430.450 0.039 50 20 ICGD COC(=O)CCCOc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783427352 ROOKKTKZGCWGIO-GOSISDBHSA-N 427.479 0.155 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 784217772 XXAXUCHYCIXBIC-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789941891 NGDRRYQQJYOXCQ-FQEVSTJZSA-N 432.477 0.445 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccc(F)cc1 792016165 NNHKSSQUXAVRSB-QGZVFWFLSA-N 431.342 0.984 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 794598653 LIHIATWZOCKHST-UHFFFAOYSA-N 432.458 0.208 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C)n2)c2ccccc2O1 797369878 OWEXYIANCRDHDU-KRWDZBQOSA-N 425.445 0.471 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1OC 805751896 RTNCSJYUEASFMU-FOGNVHKLSA-N 435.506 0.004 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)COc2ccccc2OC)ccc1F 806544466 GUFFPMSPFLGKTM-UHFFFAOYSA-N 426.426 0.974 50 20 ICGD Cn1c(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2c1c(O)nc(=O)n2C 814972528 IPDVBTMUPOAGLI-LLVKDONJSA-N 433.469 0.470 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914831189 QGVKOBIQXYKAHW-ZYHUDNBSSA-N 429.882 0.145 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 917720572 XNGCPIZFACGCQA-UHFFFAOYSA-N 447.516 0.408 50 20 ICGD COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1O 919756523 BVUBIJCZKBVMKS-LBPRGKRZSA-N 427.413 0.986 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)cc1 920826748 OYLNYBSMLYMWJM-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2ccccc2NS(C)(=O)=O)cc1 1323996901 ILOOLZJVLWKCQD-UHFFFAOYSA-N 426.520 0.994 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1779202302 ZQNFIKBYEGGPEH-AKWBHNSASA-N 426.297 0.369 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1780710142 JPVBCNVDPDNBBR-PUTMMCKPSA-N 449.335 0.335 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780804952 AFRCGDHCEXZICB-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1782001681 JHCAXBACJWLUCC-BCUIYNNISA-N 429.319 0.531 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)[S@](=O)c1ccccc1 1782679652 VBRUKIMYBPFBOI-YFIQGYPDSA-N 428.938 0.612 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783534499 KPQPSPJREKJWRW-DJQAVVSRSA-N 447.355 0.402 50 20 ICGD CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1783657192 YQGQYCLTSMONON-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783965958 XSNLAKUHHXIBRK-OSZUESSQSA-N 432.359 0.864 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1F 1785049716 YTBPBZKMXQHEES-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD Cc1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787703058 JPKUMXIAZRKZEE-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1)N1CCN(C)CC1 1788763573 RDMFQKFITWBPFP-VJANTYMQSA-N 440.661 0.454 50 20 ICGD CSc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789071152 FNJZANGDFNLHGN-XIRDDKMYSA-N 449.577 0.770 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1790960451 HPSDYTPPSNVYEF-PYJNHQTQSA-N 427.299 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@@H]21 1791286326 AGHSRBQLXWFXED-WDSOQIARSA-N 438.569 0.688 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1cnnn1 1791917390 RQODLVXTRVCMHN-CQSZACIVSA-N 434.265 0.362 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC1CCCCC1 1792790203 PDHQFMVJMWTDGJ-YVWYUNDQSA-N 445.520 0.238 50 20 ICGD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983404 KUHXSPMUOITPQM-DGADGQDISA-N 447.960 0.869 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1793089090 CXFXDHRUKYETCB-HZZBMVKVSA-N 447.891 0.689 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1793248552 NXXKKRMTNLZFED-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796571603 BJUPMBOLRSOHOC-ZSBFGKGUSA-N 443.416 0.760 50 20 ICGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)NCc1ccco1 1797893187 FYYFBDFHFWRIIO-UEWSEVFDSA-N 430.288 0.845 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1797952946 SUCCUNXDEGWRCS-HGKCTWBKSA-N 434.569 0.253 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nc(O)n2c1CCCC2 1797985199 FEUFOZIDMHALGF-QPPBUOOMSA-N 445.289 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798214332 KULSEFYNGXCMSL-DFGXFYAUSA-N 433.896 0.724 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1799684092 ATJFVRRSRFNMHJ-BSTOTGJRSA-N 426.297 0.223 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803914111 YCLKPNMLANLROE-KHYOSLBOSA-N 434.880 0.002 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CN3CCSCC3)C2)CC1 1804822901 LNOZDEDLFYIQMH-UHFFFAOYSA-N 439.626 0.639 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805553194 UJPQCGNCMQUAHS-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1805883496 OAOOTPKRTPLXJE-UWJYYQICSA-N 427.509 0.357 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805890276 USKZQYJXACNNLI-HKUYNNGSSA-N 433.277 0.128 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363925 GHUGOSNHDRMUKP-HKUYNNGSSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccncc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372120 ALRCBGIUAPBHMZ-REWPJTCUSA-N 444.300 0.719 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810179103 UQOQAGRQIRJJLI-SCRDCRAPSA-N 437.802 0.793 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1813070235 FJQBCDFOMAHHOW-JTSKRJEESA-N 441.536 0.437 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnc1 1815003935 ZULHGNQGCBRPDS-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD Cc1onc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1C 1815337113 NBYMVCOBVBPFPI-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD O=C(COc1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815761773 AKFPBEIIPLACDK-IBGZPJMESA-N 449.276 0.869 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cc1O 1817473058 BFYIBSZFKNZJCW-INIZCTEOSA-N 438.253 0.148 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1 1819402128 OQKOZRHRJBQPGB-MRXNPFEDSA-N 437.464 0.611 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(=O)C2CC2)CC1 1824120873 APOAWDZVUIPKRP-GOSISDBHSA-N 427.505 0.898 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnsn2)CC1 1825521908 ZHDDIOWJUFZWLM-GOSISDBHSA-N 428.323 0.765 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(N)=O)CC1 1828924083 JNFZACZACACEQX-QGZVFWFLSA-N 430.509 0.184 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523249 STJDNQUIBREBGD-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c1F 1830535151 JYAPMWPUCBKBAJ-DIFFPNOSSA-N 447.305 0.958 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n[nH]c21 1830728199 QFOHMJYSSOIKIJ-SPKLELGKSA-N 426.901 0.129 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733450 MSMMKROENROKBB-FXAWDEMLSA-N 426.897 0.755 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1831192030 WKSKPAAXZVGMHD-QWQRMKEZSA-N 448.358 0.531 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370177 FCYVOXBRGPOUSQ-LIRRHRJNSA-N 428.917 0.459 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1832818511 VKQJNIRWTDCYOA-ZDRDQBANSA-N 428.294 0.631 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)[C@H](O)CCl 1833312547 QYWGPLAHVHIUJZ-KPQBVPQESA-N 444.960 0.687 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834087432 YKYFUAFLGZIHKV-KRWDZBQOSA-N 438.956 0.824 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1834819826 YFJDMRZGYNLUFN-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccco1 1836129902 DVSYDWWNBUXNQH-KRWDZBQOSA-N 434.276 0.270 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836788343 YKPWEHNVICAJAC-INIZCTEOSA-N 431.917 0.691 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200222 HMZLURNVPUIJLL-BBRMVZONSA-N 431.262 0.546 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203818 XRIUNQHAUGBHJL-YOEHRIQHSA-N 446.273 0.355 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840036507 MGBIQKVXUHOPML-LSPIHWNJSA-N 431.327 0.794 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccc3)C2)C1 1840183741 WSZHWJMJRMECBW-QHCPKHFHSA-N 446.548 0.449 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466759 VWVIYUBSINEIEL-YJBOKZPZSA-N 443.342 0.593 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 1841854465 MMMXRHHCBDFGSM-AWEZNQCLSA-N 442.299 0.869 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(C(F)(F)F)c1 1843560963 JOKVASVRKJHXJN-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1844263429 DWBPUPQAEXLRQL-LJQANCHMSA-N 448.483 0.695 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844401532 VLHWBFFAHBGHFW-UHFFFAOYSA-N 431.204 0.054 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022818 XJVXKCOGHPDHNF-GFCCVEGCSA-N 445.314 0.785 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 17191881 XNRODDBGQYHISK-UHFFFAOYSA-N 431.470 0.935 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cnc12 18398686 UXZQAKNSASOHQE-UHFFFAOYSA-N 439.384 0.618 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)cc1 26793301 MNQZXKOMSCZBDY-UHFFFAOYSA-N 439.497 0.971 50 20 ICGD CCOCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 728202743 ALQGZZSHKNKPEA-HNNXBMFYSA-N 443.522 0.527 50 20 ICGD COc1cccc(-c2nc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cs2)c1 730570307 GYFZEDLZFWKWQZ-UHFFFAOYSA-N 446.514 0.854 50 20 ICGD CC[C@@H](NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccs1 734377922 XKILNCGQFRHCNV-SECBINFHSA-N 428.565 0.279 50 20 ICGD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 734807725 ANUWHUQVSMYEOC-IUODEOHRSA-N 441.506 0.843 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(N3CCCCC3)n2)cc1 739678477 BEKADSATBOACSQ-UHFFFAOYSA-N 446.533 0.857 50 20 ICGD CCN(CCCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 743558889 WIIGJIJDCYHXCV-UHFFFAOYSA-N 435.528 0.097 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 744618616 YMSUGVOBRUPPEF-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD O=C(CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)COc1ccc(Br)cc1 746094928 VPBKIEXAOAVPCI-MSUUIHNZSA-N 437.250 0.892 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 746742674 HUOCYXNWKCCOSD-UHFFFAOYSA-N 427.465 0.462 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3nccn(C)c3=O)nnc12 747941950 HKDFVZNLPUBQMA-UHFFFAOYSA-N 438.473 0.559 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C 748057219 LDRPHIDCHVBSGF-UHFFFAOYSA-N 433.428 0.406 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)n[nH]2)cc1 748058181 AGBUBEINCHJGDT-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(-n2cnnn2)cc1 749161735 PQDQADXSGJLUJY-AWEZNQCLSA-N 447.502 0.338 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1cnn(CCN2CCOCC2)c1 756826178 BGZXMMIGZPAEHO-UHFFFAOYSA-N 426.275 0.772 50 20 ICGD C#CCNC(=S)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 758179316 DIEJJHDFVPGUHP-CQSZACIVSA-N 440.547 0.081 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)ccc1C 763456106 VZVBSMLOYCAMJW-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763549408 ZZPSWPFGFHUQRM-UHFFFAOYSA-N 434.430 0.032 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1O[C@H]1CCOC1 763573500 SMXKCEHQWKNXPB-SCLBCKFNSA-N 427.413 0.780 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763576603 CUCKKBKRNUJRTI-GOSISDBHSA-N 444.419 0.588 50 20 ICGD CN(C)C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763803244 FSNOORBYWUDOIE-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)on3)cc2C1=O 764017234 VOVNAFQPNBLCMH-UHFFFAOYSA-N 433.380 0.967 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1O 764132821 XNTVWZQBLOCYHS-UHFFFAOYSA-N 438.375 0.997 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772196028 XATXAXWBXAJNEN-ODXCJYRJSA-N 449.895 0.604 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 772640089 LXDILBDDVHVWFB-UHFFFAOYSA-N 426.437 0.797 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2OC)s1 773235339 XUZJIFYOMMLVAF-UHFFFAOYSA-N 447.560 0.862 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 783999474 OUDNSRPXLHGSJC-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 784000408 YRBCYNRIDUZOBV-UHFFFAOYSA-N 436.318 0.598 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 784217002 SGDYGWYGYROITD-UHFFFAOYSA-N 445.457 0.654 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 785651282 HGTCKIAPRPLJLC-ZWKOTPCHSA-N 441.488 0.195 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Br)c1OC 785951344 TWMZZQFYUDBUGX-SECBINFHSA-N 436.284 0.597 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@@H](C)O)cc1 792163389 YVXIMZCANBKDTP-KDOFPFPSSA-N 434.518 0.550 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1OC 807727611 VYWZWENBOYSUSA-KBPBESRZSA-N 447.444 0.183 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)SCC(=O)N2)NNC(=O)[C@@H]1COc2ccccc2O1 811296680 IIQLRFFMGFVXHQ-HNNXBMFYSA-N 443.437 0.875 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 813033474 VLHPQHGCDAKPPO-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD O=C(NNC(=O)c1ccn(-c2ccc(Br)cc2)n1)N[C@H]1CCS(=O)(=O)C1 814311929 MWJOJHLWUYYUOB-NSHDSACASA-N 442.295 0.766 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2cccnc2N2CCOCC2)nc1 916400228 XBMYDLQBTAJANN-UHFFFAOYSA-N 449.537 0.826 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(N(C)C)c3)cc2S1(=O)=O 916741364 ZQUXIDIQDCKAAP-UHFFFAOYSA-N 446.485 0.618 50 20 ICGD C[C@@]1(NNC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCS(=O)(=O)C1 920284197 BZDKWIYOKZQXCV-GOSISDBHSA-N 425.507 0.845 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1 1338718627 GHNLOVOJONROKM-OAHLLOKOSA-N 435.502 0.803 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnccc1F 1777752521 ZIUVTSFFSQWBBX-DENIHFKCSA-N 441.268 0.342 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1781258075 DWLIMFBYRSFKFZ-QMHKHESXSA-N 438.289 0.319 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1[C@H]2SC=C[C@H]21 1781528722 BUPLDVFDDVMYNG-SXUUSABNSA-N 442.346 0.369 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782218054 ONIQBYHCZDJBEP-AKWBHNSASA-N 426.297 0.369 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@@]1(F)Cl 1782291742 SDRNDYZGPMTHJI-FIYPYCPBSA-N 438.692 0.418 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785566817 QRHJPJVEXSCFLC-DYESRHJHSA-N 437.924 0.809 50 20 ICGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1785652518 ZAVHRZBPARDTMP-CYDGBPFRSA-N 427.299 0.862 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404412 HVISRSJQHBWVGM-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981151 VKHOZVNCDARXCM-SNRMKQJTSA-N 441.268 0.116 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764640 QFJYEECBBDGFPU-KKUMJFAQSA-N 430.647 0.302 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc(O)n2c1CCCC2 1788788587 GRIUWRMOFLJPGQ-VIRABCJISA-N 426.901 0.118 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)cncc3F)[C@H]2C1 1789011611 IBUSNHUDFCUEOF-XEZPLFJOSA-N 439.463 0.326 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C[C@@H]21 1791253463 AQTRRILYBSFUJY-LLLHUVSDSA-N 435.912 0.885 50 20 ICGD COC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791328802 OFVHRFLDOCSSBT-QGZVFWFLSA-N 427.929 0.661 50 20 ICGD O=C1C[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)CCN1 1791656265 PWZQCDSTAOECQH-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD Cc1cccc(F)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791899107 RAXULTKISLHVFZ-QRFRQXIXSA-N 440.280 0.721 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ncn(-c2ccccc2)n1 1796189298 VPVNKMBRWQPSMY-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)n1 1796592880 BESIWRYZVJMDPT-AYDFFVQHSA-N 443.342 0.764 50 20 ICGD COC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1796893706 LWNWECUJOXDFNE-NGYDUSEUSA-N 429.477 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cccnc2n1 1798044314 RAGOYCFCVPEIAI-BTTYYORXSA-N 434.460 0.293 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C(N)=O)C2 1798441816 MIXDQNZGONMXKN-BTTYYORXSA-N 436.472 0.350 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799147359 FAISTJLQXWGMJR-KAYRBKQESA-N 442.354 0.762 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800246369 ZKFRNJUQOPGNQX-ZMMAXQRCSA-N 436.940 0.227 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1800763151 QGVGKZWSFXJPSI-QCPCCJPKSA-N 425.327 0.888 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013042 RKAIDJFAOMJJGL-ZWUHOBOKSA-N 433.347 0.123 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccon2)[C@@H]1c1cccnc1 1805994363 WMKAUZBMWMNTNU-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807363034 NVESQUGSCHWNSL-DENIHFKCSA-N 447.304 0.286 50 20 ICGD CCc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)nn1C 1809978061 SPCLINKYOKSRNR-UHFFFAOYSA-N 438.337 0.821 50 20 ICGD CN1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815347600 GFTHPQQFRABACF-INIZCTEOSA-N 442.350 0.391 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472063 FRVGHCDFXDCITG-SFHVURJKSA-N 449.276 0.408 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)c1cccc(B(O)O)c1 1817474076 LFTPQXGSKBETBM-SFHVURJKSA-N 434.265 0.428 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817639014 BXATVSSJDAVSBI-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824255282 FHFMDIZBWLDZEM-RTBURBONSA-N 431.537 0.935 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824396843 FLXSYFPAVJSSCQ-JXFKEZNVSA-N 443.353 0.514 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830984817 FZLRCFJWSWIMJI-VBQJREDUSA-N 429.315 0.684 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832048293 ALKCPTOXENUINZ-TYILLQQXSA-N 449.907 0.987 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370171 FCYVOXBRGPOUSQ-AUUYWEPGSA-N 428.917 0.459 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)on1 1832568461 JDXWBXJVBGQGKH-LJQANCHMSA-N 425.558 0.833 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836055213 AVBSELKVSCODLM-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648625 OZTPFHFUAWWLPB-KEYYUXOJSA-N 444.330 0.154 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837881785 NMVBJYXNCMEKRX-QGZVFWFLSA-N 442.633 0.429 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839151471 SIXXMDJWPWGRED-ZWKOTPCHSA-N 433.288 0.946 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839203848 YQYOQGUPHORMIU-GOEBONIOSA-N 434.262 0.672 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1O 1839473142 IIYSWUOEFCWZMH-VQIMIIECSA-N 443.859 0.955 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1839898184 LESCAUOUMRZTKU-SJORKVTESA-N 437.320 0.632 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1839898202 MGAYXBJHXANMCJ-IAQYHMDHSA-N 437.262 0.087 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839965233 RDOZOCSXOGYPER-GLJUWKHASA-N 446.342 0.307 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840031252 JRGOXHVYQHRRRD-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)c1 1840185777 RZMHBDRWWWSYSG-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)n1 1842296956 BLPSDXTVQRUXFP-UHFFFAOYSA-N 435.289 0.716 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 14317316 WCEMALTUXRDEJE-UHFFFAOYSA-N 443.504 0.691 50 20 ICGD Cc1cccc([C@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)c1 725870939 DGQNVBMFWFBEQE-KRWDZBQOSA-N 429.477 0.722 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCC(=O)Nc1cccc2cccnc12 725873424 NMZQRTMHOLUPFP-UHFFFAOYSA-N 426.458 0.995 50 20 ICGD COCCCNC(=S)N(C)NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 726076044 SNBWFUNZOCWIFZ-IHRRRGAJSA-N 430.596 0.767 50 20 ICGD O=C(NNC(=S)NCCc1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 727692084 ILMLUSFUBQGFKD-UHFFFAOYSA-N 449.558 0.454 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1COc2ccccc2O1 728261896 YHXODPJXUQVMQY-OAHLLOKOSA-N 437.386 0.516 50 20 ICGD O=C(COC(=O)c1ccc(Cn2cccn2)o1)NNC(=O)[C@@H]1COc2ccccc2O1 728325424 OFKNQKWYROOWFP-KRWDZBQOSA-N 426.385 0.669 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CSCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 729842113 AHAAKSYYOLVTQZ-UHFFFAOYSA-N 436.453 0.385 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 733003898 RRWOWRNNPDJGIR-ZDUSSCGKSA-N 441.897 0.336 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742473398 DFOJAPZQMUFRJP-LBPRGKRZSA-N 446.485 0.982 50 20 ICGD CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744555056 VASUHOPIIWSFNC-UHFFFAOYSA-N 434.405 0.223 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 744602075 XKPYENRNOIOUHY-UHFFFAOYSA-N 429.454 0.525 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1NC(=O)c1ccccn1 745979344 MVTQISOFNCZAMR-INIZCTEOSA-N 436.446 0.067 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)oc1C 751141965 JUJIFNUVEZDJKH-UHFFFAOYSA-N 444.491 0.599 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2O1 751538660 NHKMIRVBQUERAE-QGZVFWFLSA-N 434.426 0.905 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 753511519 LYURPQPLIVNKJR-UHFFFAOYSA-N 434.430 0.328 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1ccc(C(N)=O)nn1 757391333 FBJHETLACYPYKW-AWEZNQCLSA-N 438.535 0.427 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3Br)cc12 763482277 FNGJERVUCIJGHX-UHFFFAOYSA-N 445.233 0.824 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1 763601836 IVLNBKKMTSPGBI-LBPRGKRZSA-N 444.444 0.978 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1NC(C)=O 763646409 GVGKAWUFLXNCDJ-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 763832411 QQAMLWUZJYPOIM-UHFFFAOYSA-N 444.513 0.884 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764136543 RYMXJWDDGOZEEN-HNNXBMFYSA-N 438.440 0.229 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 764261054 WYEBIGWNUQHSIU-UHFFFAOYSA-N 446.489 0.636 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC 766957970 UNFLQQDUOBLCBM-IRXDYDNUSA-N 431.493 0.786 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1 767822485 BDTUJUPGYKKTSB-UHFFFAOYSA-N 448.487 0.757 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2=O 768565955 NFMNAPLKYSYPIF-VFNWGFHPSA-N 430.461 0.865 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cn1 771737860 SYZKHGYMKZHQRF-UHFFFAOYSA-N 443.279 0.875 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)o1 773411473 MQOIIXNHOHZMJV-GFCCVEGCSA-N 444.510 0.904 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 775495522 HTECOYRQGCFKMK-MRXNPFEDSA-N 440.412 0.948 50 20 ICGD COC(=O)CCN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@@H](C)C1 775561144 MPYNNQYUIZUGJL-ZDUSSCGKSA-N 426.901 0.679 50 20 ICGD CC1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 775835908 CYIIJZFYGHXVCF-QZTJIDSGSA-N 438.488 0.219 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCS(=O)(=O)C1 776242435 IWCQOLVZXRFQAV-MRXNPFEDSA-N 434.515 0.247 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccnc(F)c1 781358365 OUJXPSKTAKCJHW-CQSZACIVSA-N 430.483 0.446 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1ccc(OC)cn1 782145068 LEYQVARWPQRDFG-UHFFFAOYSA-N 434.405 0.984 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1Cl 789732471 QOEVTTJPBZQGBX-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 794077168 QPWQLZMQJWGPSM-DLBZAZTESA-N 444.469 0.764 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=C1C(=O)OC[C@@H]1C)N(S(C)(=O)=O)CC2 794882594 PEPIGDLOPXVSAR-FZMZJTMJSA-N 439.490 0.618 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1F 801108413 IGKRKZLYXQLFLK-UHFFFAOYSA-N 435.433 0.897 50 20 ICGD Cc1cccn(Cc2c(F)cccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1=O 808868820 DBXBSTXIILSLPY-CYBMUJFWSA-N 436.465 0.932 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 815751918 UNPAFSDFAYNSFB-UHFFFAOYSA-N 447.452 0.739 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1ncccn1 913044134 QWAKVHZDPZRLOM-ZDUSSCGKSA-N 447.926 0.355 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 913455093 JSQHVHJPAWSSNP-UHFFFAOYSA-N 432.458 0.462 50 20 ICGD O=C(NCc1ccccc1Cn1cncn1)NNC(=O)c1csc(N2CCOCC2)n1 914828942 HEOJQIRLEBRTJW-UHFFFAOYSA-N 442.505 0.764 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cn2cc(Br)ccc2=O)c2ccccc2c1=O 914864548 IEUYEEUVGNDXKU-UHFFFAOYSA-N 446.261 0.802 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccn1 915356828 ZWLQGYDHRODZRC-INIZCTEOSA-N 434.474 0.572 50 20 ICGD NC(=O)COc1cccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 916255078 ZHZLOYHCWDHJBI-UHFFFAOYSA-N 440.504 0.916 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1C 916636432 CAXWRQXCROCKNN-HXUWFJFHSA-N 435.550 0.780 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)NCCCN(C(C)C)S(C)(=O)=O)cc(C#N)n1C 919044719 YCWGYPNQEFPLBY-MFOYZWKCSA-N 449.533 0.832 50 20 ICGD CN1CCN(Cc2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)CC1 919744879 MSIQGQAXPDPGCH-UHFFFAOYSA-N 444.561 0.802 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O 919756735 JQNMFNXWNNQBLM-UHFFFAOYSA-N 435.458 0.497 50 20 ICGD COC(=O)C(=O)NNC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1318943862 YBVADHUZRNHXRL-UHFFFAOYSA-N 436.284 0.505 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1779198967 BLPNFBOLIJTHSF-DKSSEZFCSA-N 445.589 0.416 50 20 ICGD N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1780408111 GMPZSGBPMDVAKJ-ZJSXRUAMSA-N 447.300 0.679 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780814905 CPLTVJZXXUGZMM-NRFANRHFSA-N 430.216 0.402 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949195 WLOWSZXYDJJIBP-GOSISDBHSA-N 436.310 0.887 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214049 LAJAGLKZVJCBHR-DYESRHJHSA-N 425.574 0.214 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)Cl)C1 1782345929 SMUNWXJYEBFMGQ-RHSMWYFYSA-N 430.644 0.326 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783499462 LRYRHEZAKOHKTN-AERDPVEMSA-N 447.919 0.980 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1783974648 ULLUVUZXSPOLLW-NTIKPUAMSA-N 449.342 0.613 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1sccc1F 1784743704 QFPOUXWOYFFVCH-QRTARXTBSA-N 432.282 0.474 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785102473 IWJTXGOPBDQDOG-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD CN1N=C(C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)CCC1=O 1786656391 PYHZDNBTNCEESZ-UHFFFAOYSA-N 448.288 0.722 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@@H](F)Cl 1787444025 JFQPMQODMFGGRS-XBMQVOARSA-N 442.875 0.507 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1787509074 YVKUWKHCLVXTIK-JHUKZBBPSA-N 428.449 0.402 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1789925770 JNSDEZWTPNZULJ-IHCJZGQOSA-N 432.334 0.997 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926457 YZMWWPLJWMITNR-DOERSZECSA-N 443.273 0.690 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1791063244 DRFIRDZMBKODCT-DHMWGJHJSA-N 441.326 0.878 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1792872162 OYIWPTCMQHIQFK-CEZQWSGLSA-N 435.315 0.223 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795682465 RJQJZVVNKGIJCW-LBYCQVNQSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(-n2ccnc2)ccn1 1796188442 GWCUMUHYIZEAIT-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD Cc1cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2[nH]1 1796984234 KKRRSPFUYQIBSH-RMFSNUHRSA-N 447.300 0.673 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798096302 AQCYHTCGAGOCDI-NJBDSQKTSA-N 441.282 0.409 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cnccc3C(=O)NN)cnn2c1 1798440734 XOHVTWLGWIWURK-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800231217 KPUDCINSVULITO-HHHUOAJASA-N 425.251 0.828 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800639639 KZYMGYSCZNUYIT-LMLFDSFASA-N 430.259 0.695 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1800644188 MOVWHVMVLCMIFQ-GFQSEFKGSA-N 425.345 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1C#N 1804131944 VDFQKENDPZAILP-BCDXTJNWSA-N 427.505 0.948 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccncc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363243 BHBWKWKAZINYNK-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376192 XIKCTTZBMKDXDM-KMHBYZIFSA-N 449.316 0.649 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccncn2)[C@@H]1c1cccnc1 1808515808 JMCQBXQAKYFDGP-UZLBHIALSA-N 425.493 0.564 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810297350 BRSCJEIZRPUATE-DNVCBOLYSA-N 440.504 0.561 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812414615 FGPLKZNPCZDSJC-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1813070131 GHRYEPBWEMQDFH-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD O=C(Cc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337064 KZFZLNBAKOBSEV-AWEZNQCLSA-N 437.290 0.081 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCCC2=O)n[nH]1 1817161950 STMOJCJTGQNTLN-OAHLLOKOSA-N 433.513 0.397 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)c1ccc(B(O)O)cc1 1817472550 WQUSCGWBQQFZPD-GOSISDBHSA-N 435.249 0.343 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1821526717 ZOWHAAJMNGOOCL-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822189081 NXUSQOWQDSPFPB-DETPVDSQSA-N 444.330 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822369819 RNCRGOBMIPBHLQ-MFKMUULPSA-N 448.871 0.700 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088600 YVUDQRPOJQWUPH-RYUDHWBXSA-N 436.538 0.119 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834400808 VFEUTEUPLXKQTC-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504486 OWKFIJFSGZHONI-XHDPSFHLSA-N 437.360 0.100 50 20 ICGD O=C(CCC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929325 LMLYPKWUCBBVMZ-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462953 WYKHONBZUAWSTM-RDTXWAMCSA-N 434.990 0.334 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1F 1837712432 QIIGFVCGVATFTP-GOSISDBHSA-N 428.537 0.779 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)ccn1 1837980911 OJPZBTKFFIBEQJ-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nn1 1838760234 LUHNLYSCQSVAKY-KRWDZBQOSA-N 434.324 0.907 50 20 ICGD CN(C)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838922698 KJLIAOZJLGBBJR-YLJYHZDGSA-N 425.913 0.422 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048987 CNHXRHUHPQFDKZ-OXQOHEQNSA-N 435.912 0.746 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201043 VDVMJTUFCKXCFD-BBRMVZONSA-N 433.278 0.787 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839605942 WNKSZXQDRWQYFM-UWJYYQICSA-N 449.891 0.610 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840101106 XCWDXAOLSMNWJI-YLJYHZDGSA-N 436.896 0.092 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840151293 YBRHAMRVDJRNOV-PXNSSMCTSA-N 443.903 0.864 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184965 CVVSXJAANPTOPV-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188674 WQKJBNLTSVSZEI-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844522338 INIIZLDDNQIWNL-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cocn1)C2)NC(=O)NCc1ccccc1 1845038440 CCGVWGGRJRYFOH-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cc(O)no1)C2)NC(=O)NCc1ccccc1 1845038882 CQSNPNLLKMKASY-UHFFFAOYSA-N 442.476 0.543 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[S@](=O)c1ccccc1 1845779617 HCIUNFCOIJYOKK-JTBPQFFMSA-N 434.562 0.759 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 25433819 IPWNGWXQFMYBRK-HRAATJIYSA-N 442.403 0.580 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc2c(c1)OCO2 26219586 XDNZUKMNPAYPAJ-UHFFFAOYSA-N 439.471 0.479 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H](c1ccccc1)N1CCOCC1 725873517 NHIGVAZBGBNQFQ-MRXNPFEDSA-N 431.518 0.882 50 20 ICGD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NNC(=O)CNC(=O)c1ccco1 725902951 ZEKIUMRNZVUUQK-UHFFFAOYSA-N 429.458 0.989 50 20 ICGD COCCCNC(=S)N(C)NC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 726076042 SNBWFUNZOCWIFZ-HZSPNIEDSA-N 430.596 0.767 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)cc1 726508311 GWOGNIKANIHIAE-AWEZNQCLSA-N 430.486 0.683 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 728509922 SCZDROVYKFFJHK-SECBINFHSA-N 439.462 0.463 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 729300228 MKSLQVQAFNGCGY-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1cnn[nH]1 729455640 PVQCWJWXXIOBLT-UHFFFAOYSA-N 449.276 0.207 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCCN1C(=O)CCC1=O 730028478 BBZPKNYOENPRAZ-UHFFFAOYSA-N 427.255 0.697 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 731848133 UAOLZJOTSXXEFH-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 731849162 SYOMZNKPOPLUTR-CYBMUJFWSA-N 427.483 0.155 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(C)CC1 732912869 OHKHLPMPPNJGBA-KRWDZBQOSA-N 448.527 0.842 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 743826401 BYJFAYSIUCVFPY-UHFFFAOYSA-N 437.478 0.833 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cnc12 743831192 SELBJDBOGLHPNN-UHFFFAOYSA-N 429.458 0.961 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N1CCOCC1 745992960 PAEMLYYWDYDEAT-UHFFFAOYSA-N 440.400 0.327 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)n(C)c1 746548811 MJLWKBKLXQMRCS-UHFFFAOYSA-N 432.506 0.707 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cc2C[C@H]1C 751279467 JZDPPVULTKJSQK-LLVKDONJSA-N 436.515 0.785 50 20 ICGD CCn1c(NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)nc2ccccc2c1=O 751883579 KODAOKWAQPFDFQ-UHFFFAOYSA-N 440.485 0.940 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)c2ccccc2c1=O 752095559 AXEZADCEGHBPOL-UHFFFAOYSA-N 426.477 0.956 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(=O)OC)co2)c2ccccc2c1=O 753949933 VURJULCSBSCIHF-UHFFFAOYSA-N 434.430 0.809 50 20 ICGD COc1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)n1 756248463 MGRRQEMXIXTFGA-UHFFFAOYSA-N 437.478 0.881 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834717 JCQQLRYROKZDAW-UHFFFAOYSA-N 430.465 0.536 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCn2cnc3ccc(Br)cc3c2=O)nn1 757403638 DVARPJVEGCWNNR-UHFFFAOYSA-N 432.238 0.581 50 20 ICGD CNC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 758829066 GGOFSXVVOUKREN-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763679582 OFZPOJVVQQMURU-UHFFFAOYSA-N 445.451 0.881 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 763707456 IKDRJJKWNVBPEN-UHFFFAOYSA-N 442.501 0.947 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1C 763860160 BRVPXQASDKNVMZ-UHFFFAOYSA-N 443.485 0.713 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 763893410 UWJCSZVFTGXEHB-HUUCEWRRSA-N 429.481 0.295 50 20 ICGD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 764002881 VHTUYROQDLJAIF-JTQLQIEISA-N 444.897 0.599 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764033311 JUKKLCRJCMSCFH-UHFFFAOYSA-N 432.458 0.370 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)c(O)c1 764109050 GIPFWTSDNNYGOQ-UHFFFAOYSA-N 440.456 0.881 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cn2)C[C@H](C)O1 764188109 MBZGUOZWMGHDPZ-KBPBESRZSA-N 434.497 0.185 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 764313283 KJIUNRIVACFODA-UHFFFAOYSA-N 425.413 0.838 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c(Cl)nc2sccn12 764816477 GVDQTOMBMFKBOL-UHFFFAOYSA-N 434.869 0.337 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 767827369 IYHDBJLKXIUZQQ-HNNXBMFYSA-N 431.449 0.975 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n(-c2ncccn2)n1 768236825 DVECLICCFYBKHB-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)nc1C 778422794 VUVMUVDPIMYUFQ-HNNXBMFYSA-N 429.412 0.664 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H](CO)C[C@H](O)c1ccccc1 778588390 HHJUHZABKATUHL-ZBFHGGJFSA-N 435.506 0.408 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 784851290 KIJUOUHXEVVPFY-UHFFFAOYSA-N 425.401 0.607 50 20 ICGD CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc2C1=O 787496542 WAIOTXRHZXJNRY-CQSZACIVSA-N 430.324 0.682 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789813761 VIFQPTNVOCXHCX-HKUYNNGSSA-N 440.456 0.599 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2ccc(C#N)cc2)n1 793030670 HVJZQWVWWJOGTK-OAHLLOKOSA-N 440.460 0.543 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1C 797002755 SVRKLOWJVABABT-UHFFFAOYSA-N 439.432 0.463 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 797369420 VWZGQAFTUAYTRD-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 803963011 XNFNBPKECXUYNL-FZKQIMNGSA-N 428.397 0.797 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1 806745115 FHVSIWNKYXTDGG-GFCCVEGCSA-N 432.437 0.493 50 20 ICGD CCCn1nc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 807952191 GEEYLGWEBYODJD-UHFFFAOYSA-N 439.476 0.034 50 20 ICGD CN(CCn1cc(Br)cn1)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 808800866 NZEFXBYGENOKCP-UHFFFAOYSA-N 425.243 0.947 50 20 ICGD Cc1cccn(Cc2c(F)cccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1=O 808868666 ALVJTZDRSAGXJB-LBPRGKRZSA-N 439.469 0.435 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1 811802467 YVAYSQYFSUDIEO-GFCCVEGCSA-N 432.458 0.499 50 20 ICGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 815589915 GVBYTLZSJXVWCV-SFHVURJKSA-N 427.479 0.146 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2=O)cc1 912988370 OWDRQNDJIRXRIS-ZDUSSCGKSA-N 435.440 0.756 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 915141516 UIIRDSKXIOBDDQ-CVEARBPZSA-N 429.564 0.580 50 20 ICGD O=C(NCCNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916259887 UDYNLPNSNBOWJW-UHFFFAOYSA-N 449.489 0.438 50 20 ICGD CC1CCN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 916451934 ZVCTZDRNLUCGGS-UHFFFAOYSA-N 439.586 0.376 50 20 ICGD Cc1sc2ncnc(SCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1C 919886463 TXWKCUDGENNFND-SNVBAGLBSA-N 429.549 0.918 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Br)C3)CC1 1778850051 KXIBJZDOFMWEBG-UWWQBHOKSA-N 449.365 0.438 50 20 ICGD CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371358 RQRPVWWPJDNZDF-LLGFUMIMSA-N 449.577 0.767 50 20 ICGD COCC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CC1 1779371498 VMWXFFPBVKRQQT-VGOFRKELSA-N 445.520 0.239 50 20 ICGD CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1780559578 UCRIRDBWBWBGFK-DENIHFKCSA-N 431.537 0.866 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781232532 KDVTUPRPQMRRLA-DLBZAZTESA-N 433.292 0.627 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937507 SOEXUDQYYKYRDF-HTAPYJJXSA-N 431.537 0.463 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784438497 ITLFKLZOYKBFLM-YXMSTPNBSA-N 437.990 0.701 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccoc4cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981917 POAHZZQBVGHMBB-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506829 PODVHPLBHBTHJS-AKGDVTCISA-N 443.504 0.138 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1788663801 VGZHFHRLUWIGSR-UHFFFAOYSA-N 437.305 0.886 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1sccc1Cl 1789040314 XEYARUXOTXJMGC-QRTARXTBSA-N 448.737 0.988 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)c1ccccc1 1793721120 YLGLVTNTOIUQKF-QXGSTGNESA-N 441.463 0.599 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795491103 MMTXAVODQKQXNC-BTTYYORXSA-N 436.372 0.140 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccc(O)cc1 1795735955 LNKOUVHUOOVAHK-HEFCWWFNSA-N 438.289 0.079 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2ccccc2)n1 1797007665 CPGZJSNYQZDSLV-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3nccc13)C2 1798443040 OGSAPFHUAWSSHA-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(-n2nccn2)c1 1798628592 VFCFINGFSYQEKF-DACLVMHWSA-N 433.896 0.379 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1799277714 VZPNCJUAZWUECB-WZTYKQCMSA-N 444.319 0.066 50 20 ICGD C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)Oc1ccccc1 1801012624 CRXIRKSSHNGHEE-OVCNXMPXSA-N 446.548 0.807 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccnc(F)c1 1803842359 ZSMHQDQXIQDJAW-NQIIRXRSSA-N 448.263 0.929 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1804255600 YQGRDDJYOIEPIO-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccccn1 1805439876 DKRUYZHACZYNIK-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807093021 HWCPYYQHWVWITG-NQIIRXRSSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363592 MSNARDDXCGZWBW-CTNGQTDRSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncn1 1808510147 FTCJFQDSHNWLCM-XLIONFOSSA-N 431.261 0.185 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813032671 FLWRXJSRQYBZNP-VYDXJSESSA-N 431.942 0.776 50 20 ICGD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813635746 ZNZHZVRBJZCYIK-RXVVDRJESA-N 437.305 0.386 50 20 ICGD O=C(Cc1cc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359986 HWNQAJOQLLOBSS-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815940412 ZFWSEGOWNYUYBQ-VIFPVBQESA-N 441.477 0.108 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)c1ccc(B(O)O)cc1 1820330148 YUBMRWCSQBNNJR-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 1828923595 NNKAYJVWHLQXIF-SFHVURJKSA-N 425.493 0.955 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732507 ZFQATQCXKUUHMU-KSSFIOAISA-N 448.303 0.170 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733993 XVCNZNXCPNKVLT-RDTXWAMCSA-N 445.831 0.404 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831650866 LLFBKUBFHZVSMB-UZLBHIALSA-N 438.912 0.884 50 20 ICGD N[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1cccnc1 1833310762 RDOUWQSTGHSELX-OALUTQOASA-N 437.972 0.643 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1 1833313201 ZIAMVZKKWQVBRT-YJBOKZPZSA-N 425.961 0.924 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971592 SOTNKCOKCNUWQL-CXAGYDPISA-N 427.299 0.578 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)o1 1834097050 YAPWWVIUDDJFGV-NRFANRHFSA-N 436.509 0.339 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819391 NTYOAFBGGODXGV-PBHICJAKSA-N 434.331 0.143 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1834819699 YPWKICPMEHSRHB-QGZVFWFLSA-N 428.283 0.175 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835445958 WXPBWCSLMNEKOI-FQEVSTJZSA-N 443.617 0.017 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835514055 YWOZJSJCHMSULQ-CABCVRRESA-N 427.354 0.306 50 20 ICGD CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835879585 FBIQWJLEIKTYFL-YJBOKZPZSA-N 434.375 0.862 50 20 ICGD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC=CCC1 1835940118 UVIACJKJPKNLEI-DHIUTWEWSA-N 442.321 0.183 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)o1 1836024610 FRIPGQMMAZIUEV-GOSISDBHSA-N 426.546 0.228 50 20 ICGD O=C(c1cnccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836318145 XAETVFYPYRZDCO-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1837047335 UGJGZRHMFNPSKE-UHFFFAOYSA-N 435.308 0.341 50 20 ICGD O=C(c1cncc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202824 QVOYEVUWOJDKSL-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839962454 FRFSLKFIRJWQRX-MAUKXSAKSA-N 442.310 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840151247 YKGITOZPPDIUPZ-DOMZBBRYSA-N 427.723 0.482 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184644 ZAWGQSWLVUUEID-XMSQKQJNSA-N 436.553 0.584 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326785 YIQKLXSAWWJGGF-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840712330 FZOJAMDVPPPVRU-FPDPHYFHSA-N 435.908 0.983 50 20 ICGD Cn1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccc1C(F)(F)F 1843011319 RQONORDAECESTL-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1846073183 QBTKXJNLLCDJSE-GFCCVEGCSA-N 427.299 0.634 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563315 IDWOCVAZPBXOFU-VNAATALASA-N 427.929 0.901 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15524768 RJDWPUUOMRXWMX-UHFFFAOYSA-N 437.449 0.687 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)COc3ccccc3C#N)cc2)NC(=O)NC1=O 726282507 NOIHEEQNODTSPF-NRFANRHFSA-N 436.428 0.522 50 20 ICGD O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1 732110534 DHULPKOLLPVFCR-QLFBSQMISA-N 448.505 0.684 50 20 ICGD Cn1c(CCC(=O)NNC(=O)C2CCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 732143126 STFOMHSNVYGOKB-UHFFFAOYSA-N 449.533 0.474 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2 732474039 DZWQUGSBIMBKFB-ZDUSSCGKSA-N 430.552 0.669 50 20 ICGD COc1cc(Br)c(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1O 732578094 FCYNVYURCNNGNO-WTKPLQERSA-N 435.234 0.933 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116885 JQYHQDTXHXJCKJ-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1OC 742481562 ZJKAMTRFXWVOFT-UHFFFAOYSA-N 435.458 0.428 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(F)ccc1Br 742633889 KWTPBFUXAZWNLQ-RFHZTLPTSA-N 440.225 0.512 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744793393 CSTLTKWXUDAONL-MRXNPFEDSA-N 436.490 0.457 50 20 ICGD Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747610026 ZUCGZYOFMCDHMV-SECBINFHSA-N 425.872 0.026 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cnc2c1c(=O)n(C)c(=O)n2C 747728222 WBXWGOZLGPIHIC-NSHDSACASA-N 429.408 0.308 50 20 ICGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CCN1c1nccn2cnnc12 749451017 SMDWXRMKPJTJRQ-CYBMUJFWSA-N 428.884 0.749 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C[C@@H](C)OC)N(S(C)(=O)=O)CC2 749719900 GWSCNSZIFINMDL-IUODEOHRSA-N 443.522 0.525 50 20 ICGD NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 754241070 UMCMAYOZJIGVGK-LJQANCHMSA-N 429.908 0.945 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)c1 754845519 LLZQRTJZZJBSAS-HNNXBMFYSA-N 434.474 0.574 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 755028164 MLOAYRHQFDOAHU-OAHLLOKOSA-N 430.373 0.776 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755446687 DUEAFXYPWNGYNR-ZDUSSCGKSA-N 446.551 0.695 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756330522 LICZRNIQIDUQCV-CQSZACIVSA-N 440.547 0.771 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 756825357 UMHVOHZTELZIDD-OAQYLSRUSA-N 444.513 0.977 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cncc(N2CCOCC2)c1 756856522 YDHPAFSFSGIUCN-UHFFFAOYSA-N 438.532 0.892 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccn1 756866644 XGLKVZTZUHNAHE-LBPRGKRZSA-N 447.473 0.821 50 20 ICGD NC(=O)c1ccc(NNC(=O)CNC(=O)c2ccccc2I)nn1 757402961 RBCSQAZCSFSSIY-UHFFFAOYSA-N 440.201 0.053 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Br)nn2C)c1 757760655 RDUGKZRMRYFGIU-UHFFFAOYSA-N 430.284 0.508 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 760341040 YORFTILSTHIZNJ-UHFFFAOYSA-N 426.520 0.823 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 763419931 KRSFBSSJWDQGGW-UHFFFAOYSA-N 426.429 0.324 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccncc2)c2ccccc2O1 763465408 ZAWPAAVLHDRFNZ-SFHVURJKSA-N 439.472 0.942 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1 763629648 FYYPEJJLPJPTCA-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 763645245 SMRMXMHKVOCLEY-SFHVURJKSA-N 441.440 0.797 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763771546 IJIKMFPCGWBNSV-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OCC(N)=O 763857232 KUYOTMVDCKSDDM-LLVKDONJSA-N 448.407 0.252 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1-n1nnnc1C 763933251 ZSFXIFIYOHNLGP-UHFFFAOYSA-N 443.851 0.961 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)n[nH]2)cc1 764111199 NQYIFTNBAZNTGB-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1=O 764116911 KNJGSHINMLPWMH-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)ccc1N1CCCC1=O 764132407 VTARWJLTKFQEKP-UHFFFAOYSA-N 442.428 0.936 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764279633 ABQFDCCUPWQVLU-UHFFFAOYSA-N 435.458 0.739 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)ccc1OC 770964966 IBESGKWLLOFTAV-UHFFFAOYSA-N 449.493 0.961 50 20 ICGD Cn1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(C(F)(F)F)n1 773660611 ICVNBKMVUHQWNO-UHFFFAOYSA-N 446.411 0.961 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccnc(N(C)C)n2)cc1 776071315 WKKSYMJXQHIZCM-UHFFFAOYSA-N 435.510 0.002 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cc(OC)cc(OC)c1 777597109 NILDSUIMGVDPLM-UHFFFAOYSA-N 443.503 0.625 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2C#N)CC1 777765397 OCJZCHKTARAFTP-UHFFFAOYSA-N 437.522 0.718 50 20 ICGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 782259228 WHKBRFNAIWFQSK-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD Cn1ccnc1CN1CCC[C@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1=O 783319549 STBKSRWEXBCJTO-HNNXBMFYSA-N 425.449 0.192 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C(=O)OC)c2)cc1 784855359 ZELBZQPHRFXAFI-UHFFFAOYSA-N 435.458 0.975 50 20 ICGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 788290615 HADBSVBBWOKNTO-ACJLOTCBSA-N 425.397 0.856 50 20 ICGD O=C(COC(=O)CN1CCc2ccccc2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 789279100 UMJLXCFHEPSQSO-UHFFFAOYSA-N 426.385 0.598 50 20 ICGD Cn1nncc1S(=O)(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 790005745 USKLABKUTRRWMD-UHFFFAOYSA-N 442.504 0.301 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 792819775 JXUQDASBDRGXPO-LJQANCHMSA-N 434.518 0.850 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCc2nncn2C1 793448624 VPPRFVMPNUILIE-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NNC(=O)c1cccs1 796677998 LZWMWTICVBMZJT-ZDUSSCGKSA-N 440.522 0.994 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)nc1 797747721 CKNMORNJTQRPOF-LJQANCHMSA-N 434.474 0.766 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 798310847 XCHWWVSUVRMMRS-ZDUSSCGKSA-N 431.474 0.848 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CSc1ccccc1O 799795595 DWTLINOQNPSZHJ-UHFFFAOYSA-N 431.517 0.402 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1CCOc1ccc(F)cc1 800334906 UJIFZPZILVOHHU-UHFFFAOYSA-N 441.423 0.391 50 20 ICGD O=C(NCCS(=O)(=O)CCc1ccccc1)NNC(=O)c1nnc(O)c2ccccc12 800756095 FBPZKGNJMDHSPS-UHFFFAOYSA-N 443.485 0.937 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 807369901 OOTDZEDTAVYSEA-UHFFFAOYSA-N 426.495 0.442 50 20 ICGD CC(C)SCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807573156 DDAGIIYHUPZOEG-UHFFFAOYSA-N 430.552 0.793 50 20 ICGD Cc1cccn(Cc2c(F)cccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1=O 808868664 ALVJTZDRSAGXJB-GFCCVEGCSA-N 439.469 0.435 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 810384214 HFLKCYUQIDHBIO-UHFFFAOYSA-N 436.371 0.838 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812727515 UGTQHYUCNJXTSX-UHFFFAOYSA-N 440.547 0.921 50 20 ICGD CC(=O)NCCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 915894980 SRYXODOEGXWDCR-UHFFFAOYSA-N 425.492 0.629 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1334169734 HHFVFTRLXRPQGR-UHFFFAOYSA-N 429.521 0.192 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154271 VJHGBXWNBBUDTR-DYVFJYSZSA-N 432.315 0.690 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1778960990 IHAUUUCHKZXRBM-PBFPGSCMSA-N 433.347 0.697 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779606014 GWVHHAXBTUDSCO-XMSQKQJNSA-N 440.309 0.148 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2)[C@@H](F)Br 1780773275 LVQHZSIYYPNWTN-NSODJVPESA-N 447.261 0.706 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2)[C@@H](F)Br 1780777022 KHEKWQBGWVBQAT-XNRPHZJLSA-N 432.294 0.873 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784095871 MZIDJJJFDXUFQJ-XSLAGTTESA-N 438.908 0.595 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749650 VDWJTTGYHXBKFH-CKENWRIRSA-N 441.377 0.780 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H]3CCOC3)[C@H]2C1 1791816379 RZURHVKMEJKUNH-LNMJFAINSA-N 445.520 0.095 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110504 IZRNKVQWRYANJT-OQMKEHIESA-N 429.926 0.478 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1793448996 MPRVHCZZDSZPCL-UMPJEAMMSA-N 426.901 0.710 50 20 ICGD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878198 CVLAMYDPNZQPFZ-RBGFHDKUSA-N 447.960 0.991 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 1795483374 PSGWJBWCEKMWSA-YWVIFJGQSA-N 434.459 0.682 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc(Cl)nc2n[nH]cc12 1796052108 OCGBQKJXABSOPI-XSPYEYLBSA-N 428.276 0.414 50 20 ICGD CCC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1796381857 HGZTWZFOOQERCE-YHELAOLJSA-N 439.321 0.413 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cc2n(n1)CCCO2 1797435626 ASQAJEAEBPEPGX-DRXBFXEBSA-N 427.299 0.654 50 20 ICGD CC[C@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799871445 GALBYDSWCXUOPS-YRPNKDGESA-N 444.580 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1800975002 HUHIMIBKCWAIEL-LOUJCGABSA-N 436.896 0.423 50 20 ICGD COc1ccccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012757 JSZLJLRHRATVIG-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCCN1 1808068591 FSYSPWXBPWKUEN-QMHWCDLVSA-N 436.321 0.223 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809871684 RYEOOMUYVIDYIK-UHFFFAOYSA-N 442.350 0.872 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1 1810299082 NJYJXPCIUKTNBR-KSSFIOAISA-N 435.444 0.702 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810850553 FYFIQWRCSDIIGF-GJZGRUSLSA-N 445.992 0.636 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1813073688 KQCZWPPXZCFWEP-DYESRHJHSA-N 431.537 0.766 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2 1815066723 MZCSPTCJHSONID-OPVBNTEQSA-N 436.307 0.338 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cscn1)CC2)c1ccc(B(O)O)cc1 1815339568 HHEQBPOFKHTNPG-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472485 UKRRLMZWHRORTQ-MSOLQXFVSA-N 440.309 0.969 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc[nH]n2)n[nH]1 1817759079 XDCKUHWODOIYIT-ZFVWIKOCSA-N 438.452 0.968 50 20 ICGD CC(C)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820005467 TZIDXVQIBSKZEY-WFASDCNBSA-N 431.323 0.862 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822367238 JRBXULBTBLOBPA-DLOVCJGASA-N 426.861 0.254 50 20 ICGD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)nn1C 1822415412 ZFTXUMRZQQTRAC-HNNXBMFYSA-N 446.512 0.831 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCC(O)CC1)CC2 1826089784 ODGAMYTZVSSHHZ-MOKVOYLWSA-N 437.566 0.979 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829830879 IVIAWGQEBFBTKB-JOQOYGCGSA-N 445.310 0.943 50 20 ICGD O=C(c1cc2sccn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724080 VRHXZTSCGTWUAY-KBXCAEBGSA-N 427.910 0.671 50 20 ICGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830726641 SHLBJLZHXHONBN-FXAWDEMLSA-N 441.912 0.079 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1830732483 ZCBGFGCECHWPKE-COXVUDFISA-N 442.862 0.960 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836110482 STJRUFSHOSZWAA-SFHVURJKSA-N 438.956 0.824 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccnnc3)CC2)CC1 1837427029 LGXSFQANRDQNAL-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565381 VAGIJEQILAAXLG-CMOVFPCMSA-N 427.885 0.409 50 20 ICGD CCOCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837702268 YJDHVKPDOBBTFK-UHFFFAOYSA-N 433.509 0.334 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718129 YDCNRWFYTHRUIT-FXAWDEMLSA-N 443.617 0.599 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200891 RPDIQUQHFBWEKH-DCGLDWPTSA-N 437.306 0.706 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201817 KCWINIWGHBSENG-XJKCOSOUSA-N 438.294 0.934 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839962185 WWXQJHWUEYOEEH-DEYYWGMASA-N 446.342 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1840155619 FOTAWBVZGUQORE-TWOQFEAHSA-N 441.912 0.559 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275972 SECWOPJABKUCAS-RMYJWEKJSA-N 433.343 0.777 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3cccnn3n1)C2 1843416513 SMGLWNBFQQARTM-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1)NC(=O)NCc1ccccc1 1843474724 JWLKQZAZJMZWSA-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845216413 POYIGHVDGRFNIX-BXKDBHETSA-N 443.273 0.887 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@H]1O 1847598622 UWHJSVGQSLOILN-CLAROIROSA-N 434.301 0.478 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccccc2c1=O 14221794 LNNIIMALEWVAKX-UHFFFAOYSA-N 438.835 0.702 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1c(F)cccc1F 727365546 HPBKQGXSVSMRHY-INIZCTEOSA-N 429.387 0.969 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CS(=O)(=O)C3CCCC3)cc2)CC1 728216126 RXFNVMCKMZQERG-UHFFFAOYSA-N 444.579 0.423 50 20 ICGD O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)NNC(=O)c1cccc([N+](=O)[O-])c1 732324008 QMVZPPDEXCOOHM-HNNXBMFYSA-N 428.405 0.748 50 20 ICGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 734240119 JVBZACVQJAGBPA-NSHDSACASA-N 432.474 0.843 50 20 ICGD COC(=O)Nc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117573 YBESVTHQZMXXEY-UHFFFAOYSA-N 448.505 0.953 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1OC 744555452 YXJQSWPJVCBTGS-UHFFFAOYSA-N 446.441 0.093 50 20 ICGD COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748246087 FRHPNNPUIRICIN-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751281047 YEDVOKNTSNMNBY-UHFFFAOYSA-N 426.476 0.455 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@]2(O)CCOC2)cc1 755219847 SXEMPMHSZPOZTG-NXXUMWEISA-N 439.472 0.609 50 20 ICGD CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 757979881 MNKNNCDLOXFEDO-AWEZNQCLSA-N 440.504 0.583 50 20 ICGD O=C(Cn1cc(C(=O)NNc2nccc(N3CCOCC3)n2)cn1)NC1CCCCC1 762867786 YAFNXILFFAQHQQ-UHFFFAOYSA-N 428.497 0.716 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)c(C)c1S(=O)(=O)NC1CC1 763488606 MMXZCNCMKKTINE-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 763759853 DZPZDQQBMHAEIA-UHFFFAOYSA-N 448.501 0.576 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763824999 OMXYSJLRYOBBEL-UHFFFAOYSA-N 433.490 0.302 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764155095 WDZRMNPZLAFDRO-QGZVFWFLSA-N 433.424 0.432 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)cc1 764177869 UAWAGBRZWKKXJM-UHFFFAOYSA-N 431.408 0.964 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 764226622 JMMLXVGZVNBYAA-AWEZNQCLSA-N 448.501 0.332 50 20 ICGD Cc1nc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)cs1 764228148 UWUUWLGLBQALGF-VIFPVBQESA-N 425.492 0.142 50 20 ICGD COc1c(Cl)cc(Cl)cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818303 UAKDHGOJCOIAKF-UHFFFAOYSA-N 439.259 0.899 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc2)CC1 765386526 MSUHSSCTMJGGCX-UHFFFAOYSA-N 433.509 0.888 50 20 ICGD Cc1ccn2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2c1 766819759 WNLHAEFFLNUQJZ-UHFFFAOYSA-N 443.485 0.738 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cccnn3)CC2)cc1 768133545 DJXAXGKVKUPKRB-UHFFFAOYSA-N 448.505 0.242 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 771604817 MSCUJYOEISWUNJ-UHFFFAOYSA-N 429.813 0.803 50 20 ICGD C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 776226591 GXADVQVCHRXTOS-ROUUACIJSA-N 434.518 0.986 50 20 ICGD COCc1noc(CN2CCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)CC2)n1 780989506 FJJFJCNRQTXZLF-UHFFFAOYSA-N 440.464 0.574 50 20 ICGD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 782551152 ZHJPOHWYEBSLMB-VIFPVBQESA-N 433.512 0.930 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)ccc1OC1CCOCC1 783426543 MVJXSPGXWJIQML-IBGZPJMESA-N 425.507 0.689 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCS(=O)(=O)C1 783426655 IWEADSDFESDRSY-NRFANRHFSA-N 444.513 0.753 50 20 ICGD O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C(=O)Nc1ccc(-n2nccn2)nc1 785100198 SULJKLFFCLVJAB-UHFFFAOYSA-N 442.386 0.915 50 20 ICGD Cc1nn(C)c(N2CCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)CC2)c1C#N 788103348 XHRPRADFIYGVEU-UHFFFAOYSA-N 433.476 0.963 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc2c(c1)OCCO2 791015176 WWSULRPTYVABMS-UHFFFAOYSA-N 448.453 0.854 50 20 ICGD COCCCNC(=S)N(C)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 793274303 VYJJMAPPIVZIFD-UHFFFAOYSA-N 427.552 0.455 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=C1C(=O)OC[C@H]1C)N(S(C)(=O)=O)CC2 794882593 PEPIGDLOPXVSAR-BXUZGUMPSA-N 439.490 0.618 50 20 ICGD Cc1ccc([C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](C)S(C)(=O)=O)cc1 798059337 JGDFAEZDYDOJPD-SUMWQHHRSA-N 436.490 0.823 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@](C)=O)CC2)c1 799716861 ZFMMFNYHXWEYDZ-MHZLTWQESA-N 430.552 0.572 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 806977874 CMLCZFAZVKITKN-IRXDYDNUSA-N 447.451 0.355 50 20 ICGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)NNC(=O)c1cccs1 914993721 LDRQNRPZPQOHQU-UHFFFAOYSA-N 427.460 0.744 50 20 ICGD CC(C)COCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916208559 LDCOCQKEBRYSJD-UHFFFAOYSA-N 428.559 0.707 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)Cc3nc4ccccc4n3C)cn2)CC1 916247391 UXVUUJJJRGEXCX-UHFFFAOYSA-N 436.520 0.793 50 20 ICGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 916259114 UXHLBFFUKNVHML-UHFFFAOYSA-N 445.612 0.555 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)c2ccccc2c1=O 916434678 NSCPKBAGACJPEA-UHFFFAOYSA-N 443.508 0.086 50 20 ICGD O=C(CCNC(=O)c1cc(F)ccc1Br)NNC(=O)CN1CCCC1=O 916739430 GKJZAZGEDYIOPO-UHFFFAOYSA-N 429.246 0.478 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(C)cc2O)cc1OC 918340800 DSOONIZAHJOQTM-UHFFFAOYSA-N 437.474 0.847 50 20 ICGD O=C(COC(=O)c1ccc(Cn2cncn2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 928976579 NYJYZPUKBDASOH-GOSISDBHSA-N 437.412 0.471 50 20 ICGD CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1256330696 BFRBWAUNLMARCA-CQSZACIVSA-N 425.511 0.139 50 20 ICGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)CC2 1319087119 VAXPNMQCAFGCNO-GFCCVEGCSA-N 434.453 0.409 50 20 ICGD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)nc1 1778388529 CSBHHOXXTGUTCR-XMSQKQJNSA-N 447.536 0.591 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1779373201 NFNORSCLPSDBED-HBUWYVDXSA-N 427.864 0.347 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1C 1780781750 YGJKECXAVRTRSW-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329896 NFQDCMSSAPJZIN-MEBBXXQBSA-N 427.234 0.258 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582908 RTVPMBFDGZVISJ-NRFANRHFSA-N 448.206 0.541 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782567913 KPWZUGLZXDYXEJ-XNWPKKHHSA-N 425.913 0.963 50 20 ICGD O=C(C(O)O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783017582 BEZSWRMREFXWHX-KDOFPFPSSA-N 427.295 0.133 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1783534559 LGPICINQOXBFOS-YEWWUXTCSA-N 425.327 0.565 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1783934458 GIXDFYWHTNXUED-NRFANRHFSA-N 428.493 0.379 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783964433 SBPJCBVDYJCJQY-WGIXJMRHSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncoc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979674 JZTXICYAUQYMKI-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccs3)[C@H]2C1 1787062969 SYPDEMYHUPTBBM-KKXDTOCCSA-N 443.529 0.583 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787082594 BWIILLZBRYGIIF-TZQJONAQSA-N 446.273 0.680 50 20 ICGD Cn1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)cc1O 1788140169 LLXADEBPRQYFHK-UHFFFAOYSA-N 434.261 0.867 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789872948 MCWTVCQJAXEEQB-NUXNZHGMSA-N 437.368 0.575 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1792870507 QQTQKLBYYCPHKV-MCYUEQNJSA-N 428.283 0.320 50 20 ICGD CCc1[nH]nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1F 1794850570 ZHRYUZAPAHEPQV-ZSBIGDGJSA-N 429.456 0.675 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2)c1cccc(B(O)O)c1 1795738807 GTZCCKFAIHWLMY-UPHUGPLXSA-N 434.257 0.630 50 20 ICGD COc1ccc([C@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796185694 HRIBURHVCADCTD-JTJHWIPRSA-N 438.289 0.360 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccc3nc[nH]c13)C2 1798440322 LXVBVBFYJRVKML-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1 1799853483 ATMRCNUVSMCRIT-MUJYYYPQSA-N 448.487 0.222 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(C)c1 1801012451 GOWKPBIAEOALNX-VPTLXERWSA-N 432.521 0.580 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805813252 RXOKLZUDVKPOOY-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369741 UBUSTCPCUWFSMB-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376298 VECYBRMNZOSROF-PBEJRMEISA-N 439.321 0.895 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807666218 WDLIYCFJCYFVBT-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n[nH]1 1810303216 QTJZDGWFOADIOQ-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1c1cccnc1 1813070010 DBTWJJWVVHBGCC-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2CC(=O)C2)[C@@H]1c1cccnc1 1814083601 ODVBMPBFDXRPQG-KUHUBIRLSA-N 436.472 0.379 50 20 ICGD Cc1nocc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339576 HUKIGGNOFBITIK-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 1817479097 LYORKXPXWAXJAA-CRAIPNDOSA-N 426.282 0.822 50 20 ICGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](F)Br)CC3)CC1 1818803120 ZJBAGUAPKRKTFF-IINYFYTJSA-N 448.362 0.993 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414664 XPDBGENVMVUUPE-CZUORRHYSA-N 435.529 0.642 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCCN1 1822766245 RDXIIVRSGVWYKG-VBKZILBWSA-N 428.323 0.191 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc[nH]2)CC1 1825888008 QPJSAVWPAYDPAW-GOSISDBHSA-N 425.493 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(O)cn1)CC2 1826092048 JYWYRTWUSLYROD-CYBMUJFWSA-N 446.533 0.771 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1828486649 DDOYEMYYUBCMCG-RBUKOAKNSA-N 442.988 0.370 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccnn2)CC1 1828926322 FXINSLBQZLJPGF-SFHVURJKSA-N 440.508 0.210 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835798171 OLTLLGNMULNBLX-BMIGLBTASA-N 433.328 0.579 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835978224 ZLRJFOCTXHRBKC-OXQOHEQNSA-N 437.880 0.426 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1836073019 XRXAYRKINLZFQW-SJORKVTESA-N 435.308 0.613 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839176479 RCMOHKSMKQPXNN-KDOFPFPSSA-N 447.326 0.736 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839962644 MMBKTAOPVRDBKV-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839963466 LEYYIEIXLAQKOZ-RDTXWAMCSA-N 443.294 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1840151811 OCQUUTHWEPBQGJ-CXAGYDPISA-N 432.930 0.099 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840153178 GWUDTNPWEDZCNZ-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1840156344 QWDZWGKKSAMHDS-TXPKVOOTSA-N 428.917 0.463 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840156390 RMWYKRRLMPNODQ-WAOWUJCRSA-N 440.924 0.300 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941035 RJFNSQNLXOGYHT-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1844377955 OEBYBLRDFCHAQD-UHFFFAOYSA-N 426.571 0.507 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)cc1 1845822152 OVRQBJKDKXYBAT-QGZVFWFLSA-N 437.924 0.895 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845871202 AKVJDALGSNVAFW-NXZBIGBUSA-N 446.454 0.726 50 20 ICGD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c(-n2nccn2)c1 1846385240 HDMNSJCZSPMQMC-UHFFFAOYSA-N 439.520 0.766 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c2ccccc2c1=O 17190329 AVKVSLMQUOCWBN-UHFFFAOYSA-N 435.448 0.057 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1csc(N2CCOCC2)n1 22903301 HOWASYNIPVUVSM-UHFFFAOYSA-N 436.471 0.709 50 20 ICGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 726260848 OSUSYDODAYRYBU-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD CN1CCN([C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc2)CC1 728151003 OCKJBBYQIDSLDD-FQEVSTJZSA-N 434.500 0.683 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 728946470 DITLFLZIEKBDLX-UHFFFAOYSA-N 440.504 0.816 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 734807210 VFALPLQZOYYMIF-UHFFFAOYSA-N 435.300 0.863 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743830316 RJCRHNPGGAFUFA-UHFFFAOYSA-N 426.476 0.928 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744588028 VDHWEVUWXRTQHE-UHFFFAOYSA-N 446.441 0.358 50 20 ICGD O=C(CCS(=O)(=O)C1CCCC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621019 MGXRJVOYWHYXTM-UHFFFAOYSA-N 445.563 0.898 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1F 744811385 RZUNQQAIOJIOKX-UHFFFAOYSA-N 448.432 0.566 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744996680 ONBMVZGJYDWVDQ-UHFFFAOYSA-N 436.490 0.361 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1ccc(Cl)nc1 745517601 AKUIYEJTSLIWGG-UHFFFAOYSA-N 439.929 0.908 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)nc2)c(C(=O)OC)s1 747607644 VVNYDCQUQIWINW-UHFFFAOYSA-N 433.851 0.993 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)NC(C)C 751204956 SZGUGNHLDMFKMI-UHFFFAOYSA-N 438.462 0.166 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(c2ncccc2F)C1 755086159 NMXUUUDACRMOEM-GFCCVEGCSA-N 435.485 0.737 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756071763 GZKKANSOCCRIBP-GTMGWDBPSA-N 441.510 0.704 50 20 ICGD COc1cc(CN2CC[C@@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2)cc(OC)c1 756101517 MDISHZLNQCCIPO-BEFAXECRSA-N 426.539 0.659 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 758145293 YRZCKBPCACFEFM-PGUXBMHVSA-N 431.873 0.581 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2c(C)nn(C)c2C)c1 758355670 YOKOEKVZVLLFAO-UHFFFAOYSA-N 437.522 0.907 50 20 ICGD Cn1cccc1C(=O)NNC(=O)Cc1ccc(CC(=O)NNC(=O)c2cccn2C)cc1 763386193 YKUCDLWTCJQRTE-UHFFFAOYSA-N 436.472 0.371 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 763679799 DCBFYJMOHDUIRN-UHFFFAOYSA-N 442.403 0.640 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 763681175 MCTASMCRWHEQLH-UHFFFAOYSA-N 444.463 0.865 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)n1 763880191 CDBUWFPHEMQAEV-UHFFFAOYSA-N 442.885 0.311 50 20 ICGD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226609 JDYJIMWGAHGSJA-CQSZACIVSA-N 448.501 0.598 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 764300866 ZRTCXAISEXUGHW-UHFFFAOYSA-N 426.477 0.136 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(I)cc1Br 764422478 SICKPRCQBKUTLC-UHFFFAOYSA-N 442.007 0.132 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Oc3cnccn3)cc2)n(C)c1=O 764816464 JNFAXXUKXZCWHS-UHFFFAOYSA-N 434.416 0.166 50 20 ICGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 769251676 FTYLIIHDZUSUER-UHFFFAOYSA-N 439.837 0.211 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1=O 770402580 PGMKZZIZUXXQGI-SNVBAGLBSA-N 446.449 0.349 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772114404 JCRMQYQHQFNWRL-SMDDNHRTSA-N 442.450 0.237 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1 772623742 IMDXVDJJNLKIFY-UHFFFAOYSA-N 442.519 0.787 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 773497689 XWJLCGBFSXZLLP-NSHDSACASA-N 433.202 0.101 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 778448346 VBVZCOMOBWHJGL-UHFFFAOYSA-N 425.467 0.083 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)c2)CC1 782124077 LWEJIHPVZSBPMY-UHFFFAOYSA-N 427.461 0.652 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)nc1 783264992 VRVNIIGNIPXAEB-UHFFFAOYSA-N 447.521 0.845 50 20 ICGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783427630 PMQKKFHCHNGQJB-IBGZPJMESA-N 426.539 0.544 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 787549330 LOADDLFTGOYXPX-UHFFFAOYSA-N 425.445 0.827 50 20 ICGD CC(C)CN1C[C@@H]2CN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CCN2C1=O 787857057 BNQQEMDJUDXXLQ-KRWDZBQOSA-N 444.540 0.512 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)cc1OC 787862916 GXICFUXJJVRCKS-UHFFFAOYSA-N 428.405 0.861 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 789866795 DSBIHPYSUIXNBK-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD NC(=O)c1ccccc1CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 795814237 NPDUTXUWUSOTGJ-QGZVFWFLSA-N 427.413 0.249 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1 800748782 MPEYJCGYCDSWMW-TZMCWYRMSA-N 448.571 0.112 50 20 ICGD COC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 804121495 JUFFBDKGEXHEQO-LBPRGKRZSA-N 441.915 0.151 50 20 ICGD COC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 804126075 ZLMYHGBXIBURCS-UHFFFAOYSA-N 441.247 0.885 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cnn[nH]1 810353900 WZWOJRJEDXOETE-OAHLLOKOSA-N 448.530 0.819 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)[C@H]1CCc3nncn3C1)=NO2 816881057 YIEUZROHHQGEEB-ZDUSSCGKSA-N 447.496 0.534 50 20 ICGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 819744702 AFRIOKCCSAEKNQ-UHFFFAOYSA-N 440.566 0.921 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(NC(=O)NC(C)C)cc1 915048297 CHGYHZBNKDFRNU-UHFFFAOYSA-N 447.521 0.641 50 20 ICGD CC(=O)Nc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cs1 915063239 SFLFQQYFZXANDN-UHFFFAOYSA-N 437.503 0.961 50 20 ICGD O=C(CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NNC(=O)c1cccs1 917132017 GAEFJPDLCNUFCU-UHFFFAOYSA-N 433.515 0.276 50 20 ICGD Cc1nn(-c2ccccc2)c2nc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ccc12 919889341 XPJNFTDFWSVMAJ-ZDUSSCGKSA-N 428.474 0.860 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCN(CCOC)CC2)nc1 920814178 BLHVMVPLPSQKQS-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD CCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 921042646 HZIIPYUXNGRRMF-UHFFFAOYSA-N 439.538 0.349 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1115850347 OENRJPVHVCCROC-UHFFFAOYSA-N 448.501 0.860 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)Cc1cn2ccccc2n1 1318927735 HLPFJODWBQJJLA-UHFFFAOYSA-N 439.476 0.298 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778351602 GEWMBVNEZLNZSA-FXAWDEMLSA-N 428.961 0.388 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028543 MTVVOZLBHZXNIZ-FQEVSTJZSA-N 429.502 0.812 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@H]2C1 1779266893 ZFRZFXDZUKJXHD-ZNRYNLAGSA-N 449.596 0.214 50 20 ICGD Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn2[nH]cnc(=O)c12 1780021840 PIWBDBIHHAYIFM-KRWDZBQOSA-N 428.276 0.578 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780904971 ZFRRNIGGKQTKCF-UWVAXJGDSA-N 441.887 0.433 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2)NC(=O)NCc1ccccc1 1780968677 PCOHBLHHBFUPRW-SPEDKVCISA-N 447.511 0.521 50 20 ICGD O=C(c1cnn2ncccc12)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331154 LTBNTGXQVCYETE-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210776 KKDIFZWLZQJGMH-DCTVWTRXSA-N 425.574 0.247 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1782468447 JUTVAYXKGGEIBW-YKTARERQSA-N 443.907 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1783933604 AYTRRBWLZRSHRE-JTSKRJEESA-N 429.521 0.399 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1783935897 ZERKEKTUQHLMGX-FQEVSTJZSA-N 449.464 0.117 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1783968493 VMADPQBNGXGJDD-QZWWFDLISA-N 446.386 0.719 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784512136 XSCJNKYWHHIFLY-AYGWYOGXSA-N 441.319 0.563 50 20 ICGD O=C(Cc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786535348 BLXKIABLNVYSFN-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4n[nH]cc4c3)[C@H]2C1 1787303409 SNKQXVDWLPCEPA-IEZWGBDMSA-N 442.520 0.529 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791057693 OBIDPATUAAKAPF-CYDGBPFRSA-N 437.298 0.501 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@@H]1c1ccccc1 1791203649 FSFIDOZIENPOON-QZUCXDRTSA-N 448.328 0.763 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798160430 KMYLGPMLTUTHOA-BASYENTBSA-N 433.896 0.929 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626905 QIULLLUEBQIRAP-DJBIQUGXSA-N 441.824 0.126 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1798871999 UZOMUMGKWRHEKC-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[S@](=O)c1ccccc1 1800209601 IJOXFENGGRAXLT-UFKOZUNZSA-N 428.938 0.372 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cn1)C2 1802273370 KVOFLCZCHHAUEJ-QVHKTLOISA-N 429.926 0.991 50 20 ICGD CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)ccn1 1802337150 RWKMZRPGJIULKE-BJWYYQGGSA-N 445.520 0.883 50 20 ICGD Cc1ncc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)s1 1802914417 DXLPWJXNBITWBW-BTTYYORXSA-N 428.518 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@H]1c1cccnc1)[C@H](O)CCl 1803139038 JDUYFTCXDQCIOZ-IMJJTQAJSA-N 444.879 0.749 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804425230 NJXRQVXFPDNCNO-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)cn1 1805654186 XMSDFCZFFHFWEG-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361081 DWDHNFIUYDKXBO-RXVVDRJESA-N 448.288 1.000 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362327 GJHPETQCQYJIMZ-MJGOQNOKSA-N 433.277 0.128 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375054 MOZVXFWKSZHIAQ-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813535320 XCAPPAOXWDEDCV-RXVVDRJESA-N 425.294 0.508 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)c1ccco1 1814458197 PGXNGNORNSSTCS-LPHOPBHVSA-N 438.249 0.722 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1815596719 GFWHODBSRSDLBK-NSHDSACASA-N 441.286 0.739 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472001 BBOYPAPQKVEOSC-INZIPBBXSA-N 446.338 0.554 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)[nH]n1 1819404405 IWLSJAJEOVBYLI-CVEARBPZSA-N 427.465 0.893 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)Br)n[nH]2)C(=O)N1 1820932239 ZPGQLSNUEBUBON-RNCFNFMXSA-N 445.249 0.644 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1CCCC1)CC2 1826091988 IHHSTZBUPRZJFK-CQSZACIVSA-N 436.582 0.914 50 20 ICGD Nc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)s1 1827051198 PPZGFGZRVUANLD-QGZVFWFLSA-N 442.350 0.952 50 20 ICGD N=C(N)SCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054505 CDTYNJTVZWCNPI-SFHVURJKSA-N 446.382 0.616 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1830534052 WAKJURLWWFNAHI-FCEWJHQRSA-N 446.386 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833191030 VSBIGABGZVRPTB-PXNSSMCTSA-N 425.913 0.724 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833271090 WQPPYKHVRAKZLI-KBXCAEBGSA-N 442.310 0.421 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833316715 WWJAVXKAZAWRHO-QGZVFWFLSA-N 431.276 0.054 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccs1 1834107951 UZVRZCJBJJYLLB-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cnn1C 1834428256 FCPJFPKZTUFPTL-SJKOYZFVSA-N 429.315 0.582 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834967595 YONOSRASXDPSPZ-PXNSSMCTSA-N 444.887 0.915 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835055183 XFXHZKMWKFFTNM-QFBILLFUSA-N 431.316 0.939 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062715 DCDZMGPCSJJLLK-BZNIZROVSA-N 431.287 0.216 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839150771 XCEKRLNNBXMJCI-SJORKVTESA-N 438.308 0.131 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839150956 CVUXFQXLWPYKSF-DLBZAZTESA-N 433.292 0.489 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cnc2c1 1839600456 FGAPBSGDSAXDNV-OXQOHEQNSA-N 436.896 0.312 50 20 ICGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839693298 VZIDEFLDROOPAV-YLJYHZDGSA-N 440.903 0.374 50 20 ICGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)COC1 1839775278 TTWYXKXXWUEISG-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839882559 MGJKVLYDQSALCK-CXAGYDPISA-N 434.331 0.000 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839963259 FZQBYBZTAZKMQV-KSSFIOAISA-N 446.342 0.239 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839967518 PCGWHYLFKILNSZ-MAZWBJIFSA-N 433.299 0.647 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030240 GJUAOMROADNQGR-SUMWQHHRSA-N 434.331 0.095 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840034067 ZPINDSWSZKCYAN-CXAGYDPISA-N 429.315 0.500 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840089275 MKRULWCJMZDXSA-FHSNZYRGSA-N 437.896 0.890 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1840152167 ZZHFUGLKSCZWRK-KBXCAEBGSA-N 430.910 0.884 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840248436 HHPIMAOZJNGRNL-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H](C)CC(N)=O)C1 1841657466 HWOXYMYAUCVILG-GFCCVEGCSA-N 432.433 0.849 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010493 VNHLECNZLPNCID-SFHVURJKSA-N 436.273 0.414 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@H](C)CBr)C2 1844284388 UHBJJDFQALJZBQ-BXUZGUMPSA-N 433.299 0.716 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847644121 LRHTTYIJKGELET-KBXIAJHMSA-N 433.933 0.718 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1OCC(N)=O 18055436 BWKHFLNCPHJQTM-LLVKDONJSA-N 435.408 0.936 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CSc3ccc(Cl)cc3)cnc2n(C)c1=O 29224655 ZMUSXNLPEIXUJW-UHFFFAOYSA-N 433.877 0.839 50 20 ICGD CS(=O)(=O)Nc1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725872673 GJEDDQZMRCAURP-UHFFFAOYSA-N 425.492 0.380 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 726236660 LVXFQAQEYMCNAF-LLVKDONJSA-N 439.519 0.478 50 20 ICGD CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)Cn2nc(C)cc2C)CC1 726274133 NVHYJVHBNGWDCH-UHFFFAOYSA-N 427.509 0.699 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1 727438668 GJQOKZYEOWQWTN-MRXNPFEDSA-N 438.912 0.823 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 728746872 PNYSFRHTAQLSIF-SNVBAGLBSA-N 449.327 0.826 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)c1 744560906 IPEINEDJUDTLGZ-KTKRTIGZSA-N 442.453 0.453 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1-n1cnnn1 744619183 JRWBEPJVMSCUCW-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 746766533 FMOBGRCHUWHYGC-KRWDZBQOSA-N 436.472 0.887 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cc(Br)c[nH]2)C1=O 752001049 YEQOCJYSAIJVLQ-GLEZIHRCSA-N 427.259 0.442 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CSCCS3)nc2)CC1 756061997 OYJIUXVQWPWLPY-CYBMUJFWSA-N 446.624 0.492 50 20 ICGD COc1cccc(OC)c1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 757387042 HMWQTCJNWPSEEM-UHFFFAOYSA-N 449.533 0.721 50 20 ICGD COCCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 757822807 NGSBUFMDLPDUMA-LBPRGKRZSA-N 433.508 0.084 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc21 763573244 RBOPINWPOCPWHH-SFHVURJKSA-N 439.428 0.609 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1 763667859 DHBBZKHOUKIKAH-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763719178 VYZARPRLCSNSNB-UHFFFAOYSA-N 446.485 0.901 50 20 ICGD C[S@](=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1F 763803355 LWUGFVCHYCMRSE-PMERELPUSA-N 438.393 0.636 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1-n1nnnc1C 764319667 RIXHPMVVAKSUSL-UHFFFAOYSA-N 427.396 0.447 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764363922 WQWHZPUBVIMRSC-UHFFFAOYSA-N 446.485 0.529 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CSc1ccccc1O 765248093 FQGUJMRRFRKDKO-AWEZNQCLSA-N 427.490 0.920 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@H](C)O)cc1 767303678 ISYAMBAMQNOZIV-SCLBCKFNSA-N 439.465 0.388 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1 770570369 AECGDCRMPNDENM-UHFFFAOYSA-N 447.473 0.518 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 772076613 QWQDHFVIVRJEHV-LBPRGKRZSA-N 427.479 0.120 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CC(=O)N(C2CCCCC2)C1 772549840 RVONRJSHRPTVLA-INIZCTEOSA-N 429.525 0.957 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1CC(=O)O 774616340 QOMDYNQRKQWGFO-UHFFFAOYSA-N 427.460 0.123 50 20 ICGD O=C(NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 776972693 MPWLIAPISPABAR-KDOFPFPSSA-N 442.469 0.255 50 20 ICGD COCc1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 778556068 HRZUGCINEAOHSG-UHFFFAOYSA-N 433.895 0.757 50 20 ICGD C[C@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCOC1 781103220 ONYSEVLRLBSRKZ-FQEVSTJZSA-N 439.534 0.604 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cn1 782925802 BXEGYSGAKNVSCO-UHFFFAOYSA-N 427.248 0.678 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783264463 QNMDUWRSELSKTL-UHFFFAOYSA-N 441.491 0.698 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2cccc(OC)n2)cc(S(C)(=O)=O)c1 784847620 KZWGTEXYCPGJCX-UHFFFAOYSA-N 436.446 0.752 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 792208892 YQUXKVVMMOCLGA-SFHVURJKSA-N 437.378 0.656 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 796081002 VEQSHHOVVYKCLY-ATCWAGBWSA-N 438.506 0.798 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1 796990988 YBHCZAGVDPMHRB-UHFFFAOYSA-N 436.494 0.179 50 20 ICGD O=C(NNC(=O)c1cnnn1-c1c(Cl)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 797711550 MWVSNLRXLUKQSD-MRVPVSSYSA-N 433.277 0.705 50 20 ICGD CC1=C(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C)n2ncnc2N1C 798824398 IOVIRZHSHHROAI-KRWDZBQOSA-N 438.536 0.923 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 801106456 VJSKDNBAVVVGGQ-CYBMUJFWSA-N 429.458 0.320 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CCCC1 804867932 OWJBOIZNASXSQV-UHFFFAOYSA-N 445.567 0.590 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)c1 806338702 SOJHLDPNAQFZOK-MRXNPFEDSA-N 446.485 0.878 50 20 ICGD O=C(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1ccccc1Cl 808769137 UEBHFOKPOCBLRV-ZDUSSCGKSA-N 428.942 0.895 50 20 ICGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)CN1CCN(Cc3ccccc3Cl)CC1)CC2 810593726 HBGXUISWJRZTRE-OAHLLOKOSA-N 445.955 0.539 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNc3ncccn3)ccc21 815574552 ULQFBGGTLXWVRX-UHFFFAOYSA-N 434.359 0.560 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 843476836 HUWMCKOPJAEUFG-LLVKDONJSA-N 441.487 0.428 50 20 ICGD O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[C@H](B(O)O)C1 864233458 JXDYOTUSDQMWDS-ZDUSSCGKSA-N 432.263 0.948 50 20 ICGD CN1/C(=C\C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)c2ccccc21 867654418 JORIRHAMNGUMIS-SAXHGTATSA-N 435.488 0.847 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 912848231 ZLTOFZYONOHGSB-BETUJISGSA-N 435.506 0.224 50 20 ICGD Cc1ccc2ncc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c(=O)n2c1 912988592 KFGCRSRMFZUVFE-UHFFFAOYSA-N 435.849 0.379 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 916561670 CPHIDUMYJCJBPY-UHFFFAOYSA-N 446.485 0.570 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3nc(O)[nH]c3c2)c1 916646215 DGORTVBOAFNBOI-UHFFFAOYSA-N 439.475 0.142 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2S1(=O)=O 919538237 VHEAWHVBWYRQNB-UHFFFAOYSA-N 445.453 0.858 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1317916662 ZJZICBMAWVYJBZ-CYBMUJFWSA-N 435.506 0.575 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1C(=O)CCC1=O 1321487177 ZWSPHCMNYCZBBM-CYBMUJFWSA-N 436.490 0.160 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778661269 QJJMPSGMXRZQJK-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1780715926 VRJWCVGHKOMKET-UPRAQXHNSA-N 446.331 0.662 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C3CCCC3)C2)C1 1781277121 AXPAHAGDYDVAKC-IOUFHMPJSA-N 427.505 0.875 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782594649 AATSQVABSKZIBS-VMUDFCTBSA-N 443.346 0.779 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c[nH]nc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984598 USMBQZZCXDXOIL-CUWPLCDZSA-N 448.288 0.150 50 20 ICGD C[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC=CCC1 1786986594 NSTVYLBSZGDFQQ-QUZFRVLNSA-N 426.322 0.706 50 20 ICGD Cc1occc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610844 XTYLMZUBRSUJSD-KKXDTOCCSA-N 427.461 0.494 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccs1)C2)c1cccc(B(O)O)c1 1795737174 AEDGYGJGKKFPQC-CWPLJXCYSA-N 428.319 0.264 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)[C@@H](F)Br 1796384193 HWFHYEDEFBRASX-LOKDSWTASA-N 449.302 0.780 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)[C@H]1SC(=N)NC1=O 1796429058 XCPXFFZUHAAFMW-GGUBGCTKSA-N 442.614 0.230 50 20 ICGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc(C)n1 1796700564 INUWDSLLKHBRJG-UPHUGPLXSA-N 431.537 0.529 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1797958974 FGBVMRROVGBBOR-DRXBFXEBSA-N 445.639 0.288 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)[nH]n1 1798645921 QQTCJRDLAVETHB-NDMOTNCASA-N 427.465 0.055 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(N(C)C)c1)C2 1800973530 DBRMRUJSTSNEAK-BAAGSCJXSA-N 439.940 0.975 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1800974342 UGHGWKWQBJWJEV-DHBZOUTCSA-N 441.956 0.621 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801001794 KQSDBXCEMDZTDO-IXKPWBKQSA-N 435.315 0.223 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCCC1 1801045620 GFBKQLXYZORMMA-CBKYIJDSSA-N 429.477 0.404 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)nc2nccn12 1802338667 YDQOHWRPDNWYEH-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519727 LTBDBRZMEWQYHO-YYWHXJBOSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnccn1 1805428501 QJSBXHGKHSQYRO-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807191627 DRZXFZSZWPXTOR-ADSMDIBLSA-N 440.342 0.464 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1807364846 UGIYPSKCRPWTGN-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809606699 VAEDKKSNQUEYSU-BJLQDIEVSA-N 437.972 0.589 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1810542423 YMMUIKGNHTYSAU-TXPKVOOTSA-N 435.601 0.532 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1 1813068909 QTXYZCQRMMXPNH-KDOFPFPSSA-N 431.522 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1813070196 FBYATVUMDXXWLL-HTAPYJJXSA-N 444.536 0.083 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814873658 SYDUFQCYGVGXGC-ZNMIVQPWSA-N 444.872 0.496 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344000 BBMKJRLDBHXEID-WMLDXEAASA-N 443.334 0.622 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817474415 RDOOGNRAPVKEDF-SFHVURJKSA-N 434.265 0.428 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413950 JEPPFUSYHOUBMU-OCCSQVGLSA-N 436.517 0.222 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824529516 JIOKXBSEYJJQFX-FQEVSTJZSA-N 443.353 0.514 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827010592 RQCLVSHMRGHASC-KEDPEKRHSA-N 449.301 0.552 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827559250 HQJPTNUXDRUGFU-MOPGFXCFSA-N 444.341 0.047 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1830242044 QONIMTDJBFIUQZ-QXAKKESOSA-N 429.005 0.842 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1830357409 BMGFCOWMWSZXRA-HXUWFJFHSA-N 441.912 0.731 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830534930 FDOGEDQOFCLJET-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538764 PBIFKGFDISAHLM-KDOFPFPSSA-N 448.358 0.246 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)[nH]n1 1830732696 VOALYLCWTYDOQK-LIRRHRJNSA-N 428.917 0.377 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1)[C@@H](O)CCl 1833310196 BRYAHGCPFGTJPD-SFHVURJKSA-N 434.928 0.514 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833582525 IRIMXKWLJFTJCE-HNAYVOBHSA-N 428.917 0.308 50 20 ICGD Cc1nnc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)s1 1833830444 ZRVBOEOKDHPIPQ-INIZCTEOSA-N 444.001 0.950 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1834081506 QXWOBMLXASTVDK-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1835722105 JCZVZZKGKIANLM-WWMYMODYSA-N 437.924 0.906 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836918894 MKOOPRWLVNRPJC-IRXDYDNUSA-N 430.977 0.985 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839200197 HMYMXAJQEHWZEC-PBHICJAKSA-N 447.305 0.743 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840151987 TUSXNNFJYHBZTQ-JXFKEZNVSA-N 436.896 0.838 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840152203 AUVRDPJZGKPRPS-BEFAXECRSA-N 437.884 0.053 50 20 ICGD CCn1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c2ccccc21 1843011140 VMORWDUFLVOLFT-UHFFFAOYSA-N 432.289 0.867 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844263823 YSDZGXUSNSSJPH-UHFFFAOYSA-N 425.493 0.767 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845429321 OUQJIPCNJLYYEU-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846568170 KWUSGJQHDLNATI-WSDLNYQXSA-N 430.494 0.234 50 20 ICGD COc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2)cc(OC)c1OC 26954762 SSCGWBZNTZCBLD-UHFFFAOYSA-N 437.474 0.842 50 20 ICGD CCCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 29067868 JFEXSZPNEAGKOB-UHFFFAOYSA-N 439.944 0.644 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 726764677 LTNBPPAOALAWNL-UHFFFAOYSA-N 440.459 0.758 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 728503344 ONSGBZBEDNNVNW-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)C[C@@H](C)O1 728852140 NPXUZYYJLAWYTE-HUUCEWRRSA-N 432.502 0.883 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC(F)F 730570720 KUFZNCVBERKLEB-UHFFFAOYSA-N 429.405 0.331 50 20 ICGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)CNC(=O)c1cccs1 731625541 MLRXQBFUAHAKLL-UHFFFAOYSA-N 436.402 0.434 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1c[nH]nc1C 731852584 BMRPFRGCLFFNIH-ZDUSSCGKSA-N 429.499 0.718 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 735634951 KRNGFBUWMCHSCT-SFHVURJKSA-N 435.492 0.619 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 740851248 WCWMGOUAEVEVIV-ZDUSSCGKSA-N 430.552 0.662 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 742769555 PJDHKLFWYRXXJT-UHFFFAOYSA-N 425.264 0.708 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 743290416 GAIZGKLAWIMFGU-HUUCEWRRSA-N 426.539 0.386 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 744385313 GYTBHLZRXBHBSX-UHFFFAOYSA-N 447.542 0.824 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 744386540 HMDRZFUYOFLKKT-UHFFFAOYSA-N 446.511 0.526 50 20 ICGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 751391814 JPEUUTIZNUSBBX-UHFFFAOYSA-N 432.915 0.281 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756330751 ORZADVAOWAFSJL-LBPRGKRZSA-N 443.551 0.274 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1 756863121 HFVALOTUDOWRJH-UHFFFAOYSA-N 444.513 0.969 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 756930180 RSEHDXFODDGMKY-NSHDSACASA-N 427.439 0.987 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 757886098 QOOKPOBMBPIUEL-WDEREUQCSA-N 425.454 0.461 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c2ccccc2c1=O 757988306 MIJXGTOSSLMZOQ-UHFFFAOYSA-N 434.416 0.023 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c(Br)o1 760568297 BWKSIVAWUAUPNZ-UHFFFAOYSA-N 449.235 0.923 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 762264892 CSSCDICVMRXMFM-HZPDHXFCSA-N 440.478 0.024 50 20 ICGD O=C(NNC(=O)c1ccccc1Br)C(=O)Nc1cccc(-n2cnnn2)c1 763482143 FEGFWXWBOCUFGI-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763674968 RKOXBFBQQYJELK-UHFFFAOYSA-N 448.432 0.656 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763680371 GCLHDKHCVUMRGW-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718376 KKNRGAUTSAWULS-UHFFFAOYSA-N 429.458 0.517 50 20 ICGD Cc1cncc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 763797559 WZBAISKPCHJXJD-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 764229911 DVKIXXDWBSRHLK-JTQLQIEISA-N 430.458 0.171 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764268430 SJNCNGAMIDPRHV-UHFFFAOYSA-N 427.461 0.657 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765736998 CXYUKDLVZFTLAP-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765751393 KRGYQVYFVWPRGA-UHFFFAOYSA-N 449.899 0.718 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)CC3CCCC3)CC2)cc1 765756604 XSJMYSAYMPGIDJ-UHFFFAOYSA-N 429.565 0.957 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@H]1CCS(=O)(=O)C1 766556226 PNGNECJCZUGJTG-ZJUUUORDSA-N 432.861 0.350 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)CCO)cc1 767314515 AMMJLJNKZXSERE-UHFFFAOYSA-N 434.470 0.308 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C1=O 770402571 PGMKZZIZUXXQGI-JTQLQIEISA-N 446.449 0.349 50 20 ICGD COc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)N(C)C 771940568 PGKZWLVIHDVEIU-GFCCVEGCSA-N 429.495 0.684 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cn1C 772990399 MCFOHRWNYLRRCR-SNVBAGLBSA-N 429.886 0.275 50 20 ICGD CCN(C)C(=O)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 775951503 IIOFHXBSKRFOEW-LFIBNONCSA-N 438.488 0.936 50 20 ICGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC(=O)N2C2CC2)c1 776293454 JBWCNPPXRCSIAU-FDQGKXFDSA-N 435.502 0.329 50 20 ICGD COc1ccnc(NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 776624431 NBBKJCFHBBNQLS-CQSZACIVSA-N 436.494 0.158 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 780712611 ZBEYMOITZUVJJO-UHFFFAOYSA-N 426.495 0.551 50 20 ICGD Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 783357763 YIRKKUXAJCLPKI-UHFFFAOYSA-N 446.533 0.862 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 784261942 CCDVQBSPIMVWHD-AWEZNQCLSA-N 430.490 0.395 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786970131 OJYQOJIFLWGMFA-OAHLLOKOSA-N 446.414 0.820 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)n(-c2ncccn2)n1 789811177 WOEGHQVNUYNJFK-RDJZCZTQSA-N 435.444 0.629 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 794422672 PPDBPJYHRGUQHT-UHFFFAOYSA-N 433.442 0.400 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1 799832359 XLKVGKAASZXONL-HRCADAONSA-N 428.599 0.871 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc2ccccc2n1 914601513 UPXQEJRHPBORMK-UHFFFAOYSA-N 441.425 0.251 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 916267891 RMNPUPPXUBOERL-UHFFFAOYSA-N 442.476 0.912 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cn2)CCO1 916393041 RBFOSVGSYPMGBR-CQSZACIVSA-N 447.517 0.854 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)c1 916645318 QNDISSBGNAUAIR-UHFFFAOYSA-N 436.490 0.767 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1O 917737490 KUSDKEFWBQTXIX-UHFFFAOYSA-N 428.444 0.206 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(C)(C)O)C2 1778091391 OGFGLFBOWLNLKI-JBQOLUAXSA-N 447.536 0.795 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778737671 UNDRRIWWQOFPDW-NRFANRHFSA-N 428.493 0.151 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778873868 CVFUPWQCESLQBI-BEVDRBHNSA-N 437.880 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1779574893 MHOAOEXCVAXWGI-OAQYLSRUSA-N 434.541 0.524 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(OC)nn1C)C2 1782170926 GZTSVJHVXMQYGA-ZXYWRSMDSA-N 428.917 0.810 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)n1cnnn1 1782605044 WDEFDVUPTFIZRF-FUTJPDQTSA-N 433.282 0.439 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1783932820 GSHFABULSVIAQR-SQZHUTIHSA-N 449.464 0.404 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786984913 XYYXZBKKLOWDGV-QSFXBCCZSA-N 442.708 0.927 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787397551 WRXRYSBONLLPLL-SIGLWIIPSA-N 445.383 0.776 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 1787508210 PWLOWHMZQHYHDZ-IVXIXMAJSA-N 444.467 0.881 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1)N1CCN(C)CC1 1789872852 YLAUORQOWUYSAD-LLYLOPHFSA-N 449.423 0.838 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944100 NKPITBZVZCZEHM-RMEBNNNOSA-N 430.343 0.760 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1cncn1 1791857237 SHQGXOXMWFODPN-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1792872164 OYIWPTCMQHIQFK-LTSKOESKSA-N 435.315 0.223 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793109862 HFYQNUKOVWPUKI-AIEDFZFUSA-N 433.933 0.764 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1796188608 ZCMXYAVKZYFYLU-RACLHMPKSA-N 439.321 0.019 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1CSCSC1 1796191496 RAUJNSSDFSKESZ-NKGKWGDASA-N 449.407 0.661 50 20 ICGD CC(C)n1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1797106111 FTIJLDDEXHCHGB-BTTYYORXSA-N 426.481 0.423 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798440087 ASLBXASWAQKYNU-VPLZWRQESA-N 444.492 0.466 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1798551149 NZXZWSJFESPIOR-BYNIDDHOSA-N 442.289 0.924 50 20 ICGD Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799504251 RXNQBOFYSXMMTJ-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1800640859 JINVXGKPJZOIIR-HLPPOEQASA-N 443.342 0.906 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2 1801013053 SUBNLAHRHLTVQG-FAQVEIGNSA-N 434.512 0.721 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NN1)c1ccc(B(O)O)cc1 1801217236 ZHOOOWJMQNNHKN-IIZPIQPGSA-N 446.316 0.384 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1802896620 DHMNHWOKJLGVBY-OFQRWUPVSA-N 435.912 0.951 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)ncn1 1803142617 YOAAGEWLCACOQR-WQVCFCJDSA-N 433.852 0.489 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCS(C)(=O)=O 1803261981 QSLOMXBGBRKHPF-UGYGMJENSA-N 437.522 0.193 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2)c1ccc(B(O)O)cc1 1815337728 WJRBOXSQUBLKOM-NSHDSACASA-N 429.292 0.214 50 20 ICGD O=C(CC1(O)CCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347889 VQAQCTSDKYWKJU-CQSZACIVSA-N 429.307 0.354 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cnc[nH]3)sc2C1 1817047758 UTDSIBCSEYDPGM-SNVBAGLBSA-N 440.489 0.333 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C1(O)CCC1 1817470112 JDAJGGBZCOKMDO-KSSFIOAISA-N 440.309 0.947 50 20 ICGD CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n[nH]1 1817471443 OHJANICARLTJGU-GOSISDBHSA-N 436.281 0.995 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)c1cccc(B(O)O)c1 1817477058 XUERLXFSUAWNSS-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCOC1)CC2 1819801651 OWCPIFWTJOWVDC-MNOVXSKESA-N 430.490 0.404 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822630935 USXPCDMPCVGUNX-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823013746 IIKMZFCAKOSFEG-WPPNPWJKSA-N 445.270 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCc3cnccn3)sc2C1 1826913667 QBTQXRVLWPTVKA-ZDUSSCGKSA-N 445.549 0.851 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051521 ZZQNZGHMKCFCQZ-GOSISDBHSA-N 440.309 0.792 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925766 RAZMBRPJWSTWKG-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829489931 NAHJJIIFXNIOQT-PXAZEXFGSA-N 431.829 0.512 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523250 STJDNQUIBREBGD-BZNIZROVSA-N 447.717 0.983 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544251 RWSBKUMKWDWHRB-JVJSVBTBSA-N 446.342 0.514 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831184837 GWORDOPDJWPSJT-KXBFYZLASA-N 429.590 0.209 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831742200 NGQJDUNUNMDHHP-IAQYHMDHSA-N 433.328 0.639 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171179 UNBVHECWHSXNMN-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD O=C(CCC(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833698648 GLGCFVYMPKDXOZ-SFHVURJKSA-N 442.988 0.560 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230729 PKLFZGMFWWKIDN-GUYCJALGSA-N 429.315 0.521 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720546 WOWDIEHZSJKZHR-MSOLQXFVSA-N 431.961 0.890 50 20 ICGD O=C(C1=COCC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920748 AVGJDDAFRNCOMM-UHFFFAOYSA-N 428.294 0.283 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839963250 FUUQJBOJKDCSDW-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840032538 BRPCQDXZHMAZFD-YGRLFVJLSA-N 443.241 0.336 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050604 OELWWIQATCUMOH-NLIDSEJHSA-N 435.290 0.701 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061184 HTQRMCKDBHCZOY-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1840151102 WLLZYSIOMNILDN-VQIMIIECSA-N 428.917 0.210 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840189672 GAKARUJMNLXNKM-KXBFYZLASA-N 431.316 0.850 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840481991 CQDYKMRRUNUKHZ-SFHVURJKSA-N 442.310 0.449 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)ccc1OC 10159985 ONVGODMMKVDXHB-UHFFFAOYSA-N 445.457 0.569 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 10259422 QOWORQRHPLGMFB-UHFFFAOYSA-N 440.526 0.887 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1 24332452 YBBLQNLCJDJGLX-INIZCTEOSA-N 433.486 0.690 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2cccn2C)nc2cc(S(N)(=O)=O)ccc21 115307219 VJBTXMQJYAVQCM-UHFFFAOYSA-N 432.506 0.826 50 20 ICGD O=C(COC(=O)C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 728338631 LHGNJOOOZWSBMN-SUMWQHHRSA-N 425.397 0.643 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728844838 DOAQXIQRZIEALK-HOTGVXAUSA-N 428.493 0.406 50 20 ICGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 733663232 WGRJFQLCAZAQTG-CYBMUJFWSA-N 446.551 0.238 50 20 ICGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O 734242107 SYGINMILKROXRN-NSHDSACASA-N 426.474 0.095 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cnn(C)c1 735470766 HUZABBINNDWWHD-OAHLLOKOSA-N 425.536 0.590 50 20 ICGD O=C(NNC(=S)NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 742988823 RVJWUAGPQBDPAK-SNVBAGLBSA-N 426.442 0.951 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1 743729567 PVULSBBCGONSMC-UHFFFAOYSA-N 432.524 0.143 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)Cc1ccncc1)n2C 747326260 MPKPUYMDNDFJRM-UHFFFAOYSA-N 444.517 0.541 50 20 ICGD Cc1c(C(=O)NNC(=S)NCCc2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 748057079 KJNYKWITSODTDX-UHFFFAOYSA-N 432.531 0.354 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)NCc3ccc(F)cc3)cc2)CC1 748618772 GPSVUCKSPGGJGP-UHFFFAOYSA-N 449.508 0.521 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(Br)ccc1O 748852986 CBNWOJIWXJYIRK-UHFFFAOYSA-N 438.300 0.260 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC[C@@H](N(C)C)C3)nc2)CC1 749591778 SOPFIPMWSMFOTJ-JKSUJKDBSA-N 439.586 0.517 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)n[nH]1 756292667 CUYLAJUHGMVAII-UHFFFAOYSA-N 425.449 0.998 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 756842311 MMZPWFGIRHOLRF-UHFFFAOYSA-N 426.495 0.010 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 757402039 XQTIIOWIDRLSEE-UHFFFAOYSA-N 432.506 0.826 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc2c1OCC2)[C@@H]1CCS(=O)(=O)C1 758146960 RSGBLEYMQZPWSG-SECBINFHSA-N 439.309 0.128 50 20 ICGD COc1cc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc(OC)c1 758844395 FGQSGWSCFPVAKY-OAHLLOKOSA-N 442.476 0.642 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572329 QOPYYYBAGCLDHT-QGZVFWFLSA-N 431.401 0.638 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 763696131 SHWSLUULRVFEQW-UHFFFAOYSA-N 449.261 0.974 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763919424 QQWGXNPVDVBQHE-UHFFFAOYSA-N 427.392 0.206 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 763958656 YNEGNOWWMQZGCC-UHFFFAOYSA-N 430.486 0.630 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)c(OC)c1 764286875 OVOIHBJZSCQMJM-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CC(C)OCCS(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765119019 KLCLVYONNAHDSB-UHFFFAOYSA-N 432.974 0.833 50 20 ICGD C=CC(=O)NCc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 766645957 DYTLJUSRUXFTFA-UHFFFAOYSA-N 449.511 0.708 50 20 ICGD CC(C)CN1N=C(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCC1=O 766653936 KPCNYUAGSJMCRF-UHFFFAOYSA-N 442.520 0.226 50 20 ICGD COC(=O)NCCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766661557 XBEZQEQFYPDFQC-UHFFFAOYSA-N 425.917 0.741 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnc1Cl 767438313 RRNXBOHRDHWSIM-UHFFFAOYSA-N 448.910 0.617 50 20 ICGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 767880127 IJEKIEUHRMABIU-HNNXBMFYSA-N 436.513 0.770 50 20 ICGD COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2 768109963 BCYNGUNOKRIXPV-CYBMUJFWSA-N 433.490 0.936 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCc2ccccc2O)cc1F 771141715 ABLRVIXCEPAQNU-UHFFFAOYSA-N 431.467 0.845 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 772003904 MJJPULXWQKIKSC-CYBMUJFWSA-N 429.495 0.038 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OC(C)=O 772006163 FVJYIHMVYZLUFM-GOSISDBHSA-N 444.396 0.765 50 20 ICGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195715 ORMMRNZVTKTWRL-UHFFFAOYSA-N 429.868 0.791 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783428579 WATGGEKEQWQZHL-LJQANCHMSA-N 438.506 0.210 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 784915446 CDYJRQXUEFNMFX-CYBMUJFWSA-N 425.511 0.738 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n(C)c1=O 788434242 HWTGAXCBRZHTOC-UHFFFAOYSA-N 439.432 0.544 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 792395646 SLXJTQSSEWHBAB-UHFFFAOYSA-N 429.462 0.596 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799666611 ODMUSRHJAJERPJ-UHFFFAOYSA-N 429.861 0.726 50 20 ICGD CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814755591 DFDXKAMXDGCMCK-UHFFFAOYSA-N 427.446 0.075 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1=S=C2CCCCCCC2=C1 815566823 GOJABNCFRMKVBX-UHFFFAOYSA-N 433.490 0.665 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2cccc[n+]2[O-])c1 914069827 DILWAJHFOLFKGZ-UHFFFAOYSA-N 438.531 0.904 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2cccnc2)CC1 914687858 FRTVLNMKIPLUIA-GOSISDBHSA-N 446.485 0.470 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2C1 914831325 IEMABHJBOXVMCC-MRVWCRGKSA-N 439.559 0.670 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914833399 FISRHUQLIVKNSM-TZMCWYRMSA-N 440.547 0.439 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 915008567 UYIUZXZVQQLNJE-UHFFFAOYSA-N 439.877 0.965 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)S(C)(=O)=O 916105876 RRRFIAOXFGKSBP-CYBMUJFWSA-N 439.515 0.359 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2nnc3n2CCCCC3)c1 916235485 YWJVYWLHEWQTAB-UHFFFAOYSA-N 449.537 0.442 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)NC(C)C)c1 916268446 IRODLSFJMVOUAH-UHFFFAOYSA-N 427.527 0.576 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H](C)CN2CCOCC2)c2ccccc2c1=O 916470838 TZVBHPAVMJPGIH-OAHLLOKOSA-N 430.509 0.861 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NCC(F)(F)F)c2)C[C@@H](C)O1 918707008 BAAPLBXBPCSWLX-PHIMTYICSA-N 438.428 0.991 50 20 ICGD CCOc1ccc(NC(=O)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 920343383 VZWAHVVMMMZOJM-UHFFFAOYSA-N 438.444 0.915 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1779028801 RVKSFNYKRLFXBW-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779031536 TUAJXHVMTCXFOD-OAQYLSRUSA-N 442.476 0.554 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781961889 SUIQCTLXZJDZDN-JOCHJYFZSA-N 437.236 0.134 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1782171999 JMBZCTALQJAIRY-ZBQZNYHESA-N 428.917 0.362 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1)N1CCN(C)CC1 1783537102 KITJLVBZSRKZOX-VKJFTORMSA-N 431.375 0.236 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783807362 RAHSGHAUOKEMTQ-DPLHUUCSSA-N 434.301 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1783932912 KFSXQZPXNPGLTD-QFIPXVFZSA-N 427.505 0.304 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1783936439 HQOYMBPLLGINOK-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093453 VPZMVVBVHGAJCW-XUXIUFHCSA-N 426.926 0.897 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccs1 1784379526 VNDIHHHQBZFVAJ-BTYIYWSLSA-N 428.319 0.675 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785690956 POSJFDIMKSDTEF-RTWAWAEBSA-N 434.248 0.556 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1)c1cc(=O)n2[nH]cnc2n1 1786133775 VCNBKBWICJDDKM-AWEZNQCLSA-N 430.852 0.765 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)CC1 1786404123 BCNITTHLLKJKEO-ULQDDVLXSA-N 445.402 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4sccn4c3)[C@H]2C1 1787275410 UUYYOHFHVNFIDS-XIRDDKMYSA-N 447.561 0.967 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21 1788637655 ZQALHAQBSSFHPZ-LUKYLMHMSA-N 446.928 0.726 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C(=O)OC)(C3)C4)[C@H]2C1 1791019432 KSNHNKDWYOEGNK-AVPFTGKPSA-N 428.913 0.563 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1792184044 BWYICQIEPOCSAP-YTFOTSKYSA-N 436.322 0.961 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793109872 HFYQNUKOVWPUKI-XLWJZTARSA-N 433.933 0.764 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1793878244 INERFPGEUBWUOW-CNYPHPDHSA-N 445.944 0.479 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(C)cc(C)nc12 1796921589 AFFCZBMFWJUCRG-YALNPMBYSA-N 435.912 0.803 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)nn1 1798716038 VUPRAYYGSKDKKQ-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800893263 UNBRNEOTGAQNCZ-LOUJCGABSA-N 430.343 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1801012457 GWMVUCKPOWDCTL-YVWYUNDQSA-N 431.468 0.274 50 20 ICGD Cc1nn2cc(CC(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)nc2s1 1802335006 VXAGSXYSBMMMSQ-RBVVOMGSSA-N 447.565 0.653 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CO)c(F)c1)c1cccc(B(O)O)c1 1803945817 QTLOSWCLDYULIP-REPLKXPHSA-N 426.253 0.563 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779770 MOKGEPMGZCPHAJ-RXVVDRJESA-N 446.272 0.028 50 20 ICGD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805854433 RHOKDHRAMLAZTN-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807113833 VNMYRCFPKSPVAP-WMLDXEAASA-N 437.342 0.712 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808453202 OZSRLHYDIOZLSL-PXNSSMCTSA-N 446.552 0.233 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1808631258 LPUHNOJDYSXAED-RYQLBKOJSA-N 435.912 0.844 50 20 ICGD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1813456423 BRADMECEYGGEMV-SIKLNZKXSA-N 447.304 0.057 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813600073 UMFDPUOENQQBBW-KNQAVFIVSA-N 438.337 0.421 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819509985 GKFMCQKSFMJRDO-WYIRRWHOSA-N 449.363 0.207 50 20 ICGD Cc1nccn1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821729637 MRZSODCRPLJDBB-SFHVURJKSA-N 436.281 0.601 50 20 ICGD Cc1cn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)c(=O)nc1O 1824187420 HZYNUZAGNPEDJT-JKSUJKDBSA-N 440.928 0.477 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cncc(O)c3)sc2C1 1825727938 DVEOOSRBIVXBQZ-LBPRGKRZSA-N 432.506 0.843 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1826004981 XIWIULHZSMABQI-KWBADKCTSA-N 435.955 0.886 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829830881 IVIAWGQEBFBTKB-YEWWUXTCSA-N 445.310 0.943 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830358492 WOQVXKLGEMULSS-GOSISDBHSA-N 428.873 0.223 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(C)n1 1830728224 QPUXUCYYZGLYEE-PXNSSMCTSA-N 425.913 0.622 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831647842 ZGSOAXPEDUNHLB-QRWLVFNGSA-N 441.912 0.873 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831834820 IYXWCHAYWGKKIX-ZWKOTPCHSA-N 433.977 0.147 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833582523 IRIMXKWLJFTJCE-BEFAXECRSA-N 428.917 0.308 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1834822597 XKONQYWCSSABAM-GOSISDBHSA-N 442.310 0.090 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835930968 BCDUQUJIBNNJKR-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717641 KXRUKORQFPNQLP-HXUWFJFHSA-N 444.601 0.884 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839152321 WAYATBNBTDWZJU-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840151248 YKGITOZPPDIUPZ-IUODEOHRSA-N 427.723 0.482 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190005 XNGZBPJGVOYYCC-BDJLRTHQSA-N 427.281 0.808 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598476 XSZKIGRGDVKZEU-FZDJLGDXSA-N 443.504 0.377 50 20 ICGD Nc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)sc2nccnc12 1843013455 NBFSRMDQZBFEQR-UHFFFAOYSA-N 437.290 0.084 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1843415213 YRXSAUOHIJQZPZ-FNYWAWLUSA-N 443.504 0.913 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1845544619 NIMOFZIBKLXRGA-UHFFFAOYSA-N 443.259 0.841 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 11672466 VHWROSHWFAZOHG-UHFFFAOYSA-N 431.946 0.305 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 14369372 GNHWOMSSPYVAHW-UHFFFAOYSA-N 432.506 0.595 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 16098493 YRFDUXXARTWTOE-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785674 JWLHYQNSALFZRS-CQSZACIVSA-N 443.547 0.365 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)nn1-c1ccccc1F 17195641 UWTLSZJVASQQRP-UHFFFAOYSA-N 434.387 0.991 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 110881795 ZUKIDBVRVGEXMK-UHFFFAOYSA-N 437.547 0.934 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c2ccccc2c1=O 117278237 RIHWOMTZPMRPKT-UHFFFAOYSA-N 432.440 0.873 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(C#N)n1C 728322385 SCFUMNOQOIHVFR-ZUYGLVRRSA-N 449.423 0.643 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 728957290 RBVXQHGKPBUYQV-UHFFFAOYSA-N 435.481 0.947 50 20 ICGD O=C(NNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 729171102 LMEFQBRIIXKYDW-DGCLKSJQSA-N 431.923 0.437 50 20 ICGD CC(C)(C)C(=O)NNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 731499192 MKTWCSBLSJPKQM-UHFFFAOYSA-N 440.522 0.941 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 735993359 DEGWIFNFKRXLPE-OAHLLOKOSA-N 437.518 0.631 50 20 ICGD Cn1cc(C(=O)NCC2CCN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC2)cn1 738311698 IRSIUAKKOQUDFI-UHFFFAOYSA-N 432.912 0.977 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 743295844 RSHRJHWKFBIXRS-CYBMUJFWSA-N 445.501 0.772 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccccc2Cl)CC1 744393709 RDHKSZJDRASQJQ-UHFFFAOYSA-N 438.912 0.835 50 20 ICGD C[C@]12CCC(=O)N1[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)CS2 744620772 NIJVOMSZRBUYBS-KSSFIOAISA-N 440.547 0.605 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H](C)CN2CCN(C)CC2)nc1 745862463 JWPIRNUHKXYWGW-OAHLLOKOSA-N 427.575 0.278 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 746813717 SHOPYWZRPRIKJU-CYBMUJFWSA-N 431.536 0.303 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 747846040 JHBPXRLNTRVRHW-UHFFFAOYSA-N 426.539 0.128 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)ccc1OC(C)C 750663540 PFCKLJDYQJUMGS-UHFFFAOYSA-N 439.494 0.264 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1)OCO2 753841146 PODZROWOWLRXLV-UHFFFAOYSA-N 445.384 0.375 50 20 ICGD C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758039482 KVFPWAXOQPIAIQ-SFYZADRCSA-N 442.719 0.955 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(I)ccc1F 761835442 JPIHATHYFMYMAU-ZETCQYMHSA-N 426.207 0.626 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1Cc2ccccc2C1 763157996 DQZNTMBRDNEXMC-UHFFFAOYSA-N 444.513 0.819 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 763622293 BNOYPZURFDVCRS-UHFFFAOYSA-N 434.474 0.424 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cn2)C[C@@H](C)O1 763682056 WAHBHCXKNYSJFF-OKILXGFUSA-N 445.451 0.999 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763682565 WHYQNUGPGYSOSD-CYBMUJFWSA-N 439.428 0.697 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cnccc2OC)c2ccccc2c1=O 763801041 BEQKZHSDGWTEGU-UHFFFAOYSA-N 438.444 1.000 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 763848162 AFEXWTDIMMIESL-LLVKDONJSA-N 427.396 0.663 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764185065 UXAOPERAKILPCH-UHFFFAOYSA-N 426.470 0.933 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)c1 764252066 AQTVUOIGCGVHST-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD Cc1noc(COc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)n1 764277636 LSXPFFWDECASNE-UHFFFAOYSA-N 441.400 0.828 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 764278143 SVNCZINTHLDQPP-UHFFFAOYSA-N 426.429 0.680 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)cn(C)c1=O 764278750 WWYUSSCAUMXNDW-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD CO[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCOC1 764810294 KYYMHRRDLPAAQJ-IBGZPJMESA-N 440.522 0.611 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(=O)n1C 765194255 PTQYJXAAZRLYKF-UHFFFAOYSA-N 432.238 0.507 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C3CC3)nc3ccccc23)n(C)c1=O 765732966 YZTNKEJFHAZQAW-UHFFFAOYSA-N 447.455 0.321 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)n(-c2ncccn2)n1 768234599 VUQRIGROALHZRI-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)CCC3CC3)CC2)cc1 770638537 ZHRUYPSBCCTIME-UHFFFAOYSA-N 444.579 0.052 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 771806817 DXHNOEMQUYXXCB-UHFFFAOYSA-N 432.506 0.595 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)nn1 773498597 BCISBALGRYGNLV-CYBMUJFWSA-N 441.423 0.972 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062568 YFPGAUNFRWYSJA-UHFFFAOYSA-N 449.489 0.594 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2nc(Br)cn3ccnc23)n(C)c1 779222018 GAMHCSANSLMOOL-UHFFFAOYSA-N 442.299 0.838 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 780971243 LQRYMHCRNGOLJE-UHFFFAOYSA-N 443.501 0.128 50 20 ICGD COc1ccc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)nc1 781528261 YDHGOGILBBTLPC-OAHLLOKOSA-N 442.519 0.315 50 20 ICGD Cc1csc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 784230597 OFSSOZJJMLQASG-UHFFFAOYSA-N 438.535 0.469 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789811084 ULOBRMAXJGWMMT-HKUYNNGSSA-N 441.440 0.897 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ncccc1C 792376064 PHDOWKYJGOFTMN-UHFFFAOYSA-N 449.489 0.501 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 793147820 CYZMUQPFKVXPRC-KRWDZBQOSA-N 440.460 0.834 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 793227312 BIFWGOZPZPSKCF-UHFFFAOYSA-N 448.461 0.659 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cnn1C 793410703 HKOMWPVGMVOIRX-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(F)(F)F 806564636 SLRKCNVORJGRIH-ZDUSSCGKSA-N 448.427 0.843 50 20 ICGD CC(CCCCNC(=O)OC(C)(C)C)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 811645243 FGSMRNFPZHXBNJ-UHFFFAOYSA-N 449.512 0.621 50 20 ICGD Cn1nnc(Br)c1C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 813455723 WAIHXOCJHRLIQF-UHFFFAOYSA-N 446.306 0.921 50 20 ICGD Cc1c(C(=O)NNC(=O)COc2ccc(Br)cc2)nnn1-c1ccn(C)n1 814364020 TWLPMKWPFQLLEE-UHFFFAOYSA-N 434.254 0.912 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc(OC)c1C 815569061 FOMAAOQXDSQXGX-UHFFFAOYSA-N 442.476 0.805 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 818580934 QOXUJTDYGZZVQS-NRFANRHFSA-N 443.435 0.861 50 20 ICGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912918664 ASGSSDGKCPKTCU-HZPDHXFCSA-N 440.566 0.976 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 913055079 DLKDNHXGSXMXKR-UHFFFAOYSA-N 431.474 0.642 50 20 ICGD O=C(NCc1cccnc1N1CCOCC1)NNC(=O)c1nn(-c2ccccc2)cc1O 914544830 KLGTZCMSKLUROT-UHFFFAOYSA-N 437.460 0.954 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914752196 KEBOWJAFVNMSBC-UHFFFAOYSA-N 427.866 0.958 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc(Br)cn2)cc1 915142159 WUKZSRHDWIMYKY-LLVKDONJSA-N 427.280 0.831 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888180 ASQIZEFZNPQZTA-CABCVRRESA-N 425.511 0.028 50 20 ICGD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888523 FDTDEPQKZSVMFT-CABZTGNLSA-N 432.911 0.660 50 20 ICGD CS(=O)(=O)Cc1ccccc1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116254355 OHGKXPVSXXYAHE-UHFFFAOYSA-N 446.533 0.768 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3nccs3)CC2)cc1 1346898149 MRCIVHRVZFTAKL-VOTSOKGWSA-N 449.558 0.619 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1778121375 LUSGLBVQYFRBRP-IFXJQAMLSA-N 431.917 0.283 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778589035 RTYVSOPJKYAOCW-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1779034987 YTRJHOFNNRUBRY-OYHNWAKOSA-N 438.488 0.327 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779843303 WCJOSBQNFODFHR-FQEVSTJZSA-N 435.550 0.620 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1780096985 MNWUQQMSRWLOCT-NRFANRHFSA-N 448.476 0.915 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1cccs1 1784378957 XNYUQVJMYWPLFG-QKKBWIMNSA-N 443.529 0.994 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785080509 ZHEHLXBRNXQSIR-XDHUDOTRSA-N 447.300 0.751 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)C1 1785729007 XGFRUMALEUMSOI-CKFHNAJUSA-N 449.907 0.987 50 20 ICGD CNc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791289244 PHOVBQULWBUZAX-WDSOQIARSA-N 431.537 0.695 50 20 ICGD O=C(Cn1nnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187939 NBKIPRQNCDMBII-BCDXTJNWSA-N 433.277 0.063 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384653 JCISLQSOYXNAGY-CLLJXQQHSA-N 440.598 0.941 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1797759463 PRXFSFZFNPKXFZ-DZJQYVJYSA-N 425.382 0.296 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)n1 1799275003 GKULQMIJPPYWGW-HRJSJKBJSA-N 433.336 0.969 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1805703476 RJAYQNQSYXCHPG-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373262 RAMFKKBNXOBQAA-PBEJRMEISA-N 438.337 0.421 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809226409 MBWGIOCWZSZQCE-RRFJBIMHSA-N 429.868 0.439 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3[nH]nc4ncccc34)CC2)C1 1809967089 SMTJVGIGXRWCTJ-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972635 WGTWTVHXBMRWDX-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305623 NOWPFPVHRINJLB-SIIHOXLZSA-N 426.477 0.435 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnn1 1810722459 DEBJNZGABBDLAH-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)[C@H](O)CCl 1814867091 DXVWRIONXIUHHJ-CHWSQXEVSA-N 425.833 0.806 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344201 NURGHLJZJGBOBM-CQSZACIVSA-N 447.398 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnnc2)n[nH]1 1816384809 DOKRLJBNPOWSFP-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475218 LIIYYSRRMDCHOX-IAGOWNOFSA-N 446.338 0.509 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819591619 CUNIHLKHJKYIRG-STQMWFEESA-N 436.545 0.851 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822368972 MPIHWXUCPGUOBW-PWSUYJOCSA-N 437.821 0.380 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822369936 JSNWZTOLEIADFP-CMPLNLGQSA-N 426.861 0.207 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059368 NGBMTRUJQHXUSG-KKSFZXQISA-N 443.353 0.467 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1829769462 TYVXPNIEYOJJTI-DHJFXDNESA-N 448.347 0.538 50 20 ICGD O=C(c1cnc2ccccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727711 CIGWDHZKOSULSB-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1C 1830731360 JABYLVHLZJIUKQ-UZLBHIALSA-N 426.897 0.673 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2c1 1830735490 HTUJRXCXLGMPIW-UZLBHIALSA-N 447.879 0.104 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971593 SOTNKCOKCNUWQL-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835929132 BEMRRWDXGHBFSA-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2cccnn2n1 1836076894 RJTFGPCLZKTBDC-GOSISDBHSA-N 434.928 0.514 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836413752 ONMOPSITUHFENL-ABAIWWIYSA-N 435.338 0.760 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838827580 WAGYKDJTGOEESZ-WFASDCNBSA-N 449.233 0.683 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839147370 OMIKUFOPABZPEE-JJDSTIRJSA-N 441.956 0.861 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152217 RDFRXPIVYFXNLM-OALUTQOASA-N 449.379 0.961 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154367 MEGZKTBEDPCBKE-KKXDTOCCSA-N 436.336 0.300 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnc(OCF)cn2)C1 1842243687 NSKGPCPASDXEEW-DHRITJCHSA-N 443.439 0.733 50 20 ICGD CC(=O)N1CCCC12CN(C(=O)[C@H](Cc1ccc(B(O)O)cc1)NC(=O)OC(C)(C)C)C2 1842763872 QRWGALROOKIOOG-SFHVURJKSA-N 445.325 0.026 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843012443 PRSSLCTVSKMRNQ-IAGOWNOFSA-N 428.294 0.163 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844211246 SPUVCKZOWZFEFD-UHFFFAOYSA-N 428.323 0.148 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(CO)c(F)c1)C2 1844265438 BQDUTDCNHGSABC-UHFFFAOYSA-N 427.436 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cc3nn[nH]c23)C1 1844752137 XHTMHIRZNMKEKT-UHFFFAOYSA-N 433.900 0.801 50 20 ICGD COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038337 QTJNOTDUOLCSKK-QGZVFWFLSA-N 431.537 0.819 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039446 POVAGSWHVFYXGY-SFHVURJKSA-N 444.580 0.876 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845429214 BMMTWCFJZXOHNJ-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1846175513 DCLCXRPTXAWVBX-GHMZBOCLSA-N 439.310 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1846384227 TTXOVALWDKFNCF-INIZCTEOSA-N 433.553 0.354 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 111213806 NNISIMYCVGGMJK-LLVKDONJSA-N 433.442 0.746 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)s2)cn1C 725879981 UJUVGAVAZUGEFV-UHFFFAOYSA-N 436.313 0.292 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730511691 BRQONLQXAOUYCJ-AUUYWEPGSA-N 439.424 0.798 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 731849233 VZECGILBSLYVEZ-CQSZACIVSA-N 432.912 0.954 50 20 ICGD CC(C)CN(CC(=O)NNC(=O)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 733193086 BEBRBBFLWHZYMP-UHFFFAOYSA-N 428.493 0.599 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(C)c(=O)n(C)c1=O 735029035 QUMMYKLOBSUIGC-SECBINFHSA-N 425.239 0.075 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 735647659 XXCJCBXKDGWSHQ-KRWDZBQOSA-N 432.444 0.473 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 737757069 ZLJAMRNUUUDFDX-UHFFFAOYSA-N 433.486 0.685 50 20 ICGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 739059691 SWORGUXZIIIQOG-QGZVFWFLSA-N 445.501 0.340 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 743419979 RIOKMAIBDIGRSK-UHFFFAOYSA-N 434.478 0.612 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)Nc1ccc(OC(F)F)cc1 743831985 CBIQBZZHBXDCBI-QHSBEEBCSA-N 438.387 0.993 50 20 ICGD O=C(NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(=O)N1CCCC1 748342415 HGDBKYYKGPCXKG-UHFFFAOYSA-N 438.487 0.638 50 20 ICGD COc1cccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 752267578 FONUCFNPSYXLBN-UHFFFAOYSA-N 448.501 0.505 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c(O)c1 755893736 HTHMKQGMRUJKIA-UHFFFAOYSA-N 448.339 0.647 50 20 ICGD COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 756500366 HIRPUPGNTRIWQM-HOCLYGCPSA-N 436.509 0.328 50 20 ICGD N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 757692526 IUILVXTVJPNDAU-KRWDZBQOSA-N 438.396 0.683 50 20 ICGD COC[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(N)=O 760083336 OJENSBOSVWJPMT-LPDYGMJQSA-N 444.879 0.602 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 760276944 GYWJRGOZNMDFPU-UHFFFAOYSA-N 445.480 0.967 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 761618232 CVNXNWMCZZYJIG-UHFFFAOYSA-N 434.499 0.673 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3nc4ccccn4c3=O)n[nH]2)cc1OC 763148579 MFCXFQWFBXAIKO-UHFFFAOYSA-N 437.416 0.365 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 763471846 NFLZZVXVTMMEBR-UHFFFAOYSA-N 449.445 0.553 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 763573036 POMMPTNHLFBNMG-QGZVFWFLSA-N 426.429 0.671 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1 763682743 ZCAZDFXCESCWGX-UHFFFAOYSA-N 439.403 0.989 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 763694470 JXXSLNMHNFDJNB-UHFFFAOYSA-N 434.836 0.759 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763838008 KYXLCSXMMYGCMN-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764005530 ZWEYMUSQTONIIL-UHFFFAOYSA-N 428.445 0.928 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(Br)c3)cc12 764063019 JASKCFGGSNGCNE-UHFFFAOYSA-N 445.233 0.824 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 764233324 UVFAJLGUOPVBGK-VIFPVBQESA-N 441.535 0.617 50 20 ICGD COc1cc(OC)c(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 764812700 OTRIURJPYHCLMN-UHFFFAOYSA-N 448.867 0.645 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765759917 YGWNKZSCUXCHFC-CQSZACIVSA-N 430.958 0.286 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1S(=O)(=O)N(C)C 766264547 LMGGTDIPUKKMCP-UHFFFAOYSA-N 438.466 0.216 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1 770773352 GZPKYNROKTVUQE-UHFFFAOYSA-N 448.505 0.013 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC2=O)c(OC)c1 770975399 WXINTSSVPMHULA-SNVBAGLBSA-N 427.421 0.582 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 771045495 BCSMPDUNXARKFN-LBPRGKRZSA-N 435.510 0.232 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 771940894 RJZULCJOBFTEIV-YEJXKQKISA-N 430.461 0.505 50 20 ICGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 779472940 ABWXMTXDUAOSAZ-KDOFPFPSSA-N 448.483 0.971 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F 779833065 ZBDPGQJMMJESHV-UHFFFAOYSA-N 437.764 0.649 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 780974509 ZXYIJYYCNODSAN-UHFFFAOYSA-N 426.495 0.827 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 782145586 VPBVPMFRCFKXTQ-UHFFFAOYSA-N 435.462 0.193 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 783022338 NHJKFMTVODRLAE-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2cccnc12 784004256 CRIQKRRQNDVTRW-UHFFFAOYSA-N 427.442 0.821 50 20 ICGD Cn1nnc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 787429239 IFKOVHXZEHWTKL-UHFFFAOYSA-N 436.479 0.217 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 794077421 OQXDTEIZCGDXGE-CJNGLKHVSA-N 438.893 0.629 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cn(C)cn1)N(S(C)(=O)=O)CC2 794486141 OHBCNXPXJOONJI-INIZCTEOSA-N 435.506 0.837 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(F)c1 794593128 SCLCRESXNZSLHB-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C)c1 796991059 ZLHNGFUZZHNVSB-UHFFFAOYSA-N 437.456 0.930 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 801171689 IQPNANYOGXUAPZ-UHFFFAOYSA-N 441.488 0.326 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1ncccc1F 807302164 YOJZUHSVUZXSRU-UHFFFAOYSA-N 430.440 0.699 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 807381287 MQIQBTPUTMJRQS-INIZCTEOSA-N 434.566 0.926 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNc3ccccc3C(N)=O)cc2)CC1 809664739 LSEXRDNSNSWDBU-UHFFFAOYSA-N 446.533 0.277 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 811629193 LUXDUNYKUNGHMJ-UHFFFAOYSA-N 436.515 0.882 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 916380721 NCRZNEJPGGDAHI-UHFFFAOYSA-N 443.478 0.554 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 1319252838 PPHIWWXXDWVVRX-IAGOWNOFSA-N 439.538 0.804 50 20 ICGD CC(C)CC(=O)N1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1322213134 HQAKYNNIQQCMKF-UHFFFAOYSA-N 438.554 0.961 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374727 ZIUMWFJKCJMODD-QXATTWAWSA-N 446.552 0.153 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779469385 HPPBMIZVMBPTFK-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD CC(=O)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782140413 KKWQYSZKLOCBGO-YIFZBPKDSA-N 430.310 0.109 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783408689 XPASJRZVOGUWJO-BWKNWUBXSA-N 448.328 0.615 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)cc3)[C@H]2C1 1783842491 IHYFMFFKGPTYQH-SNRMKQJTSA-N 448.520 0.124 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1783881633 LKWHAIODAGWSME-UZLBHIALSA-N 433.896 0.965 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1783885325 ZCGDLEZGLUSRCI-LAUBAEHRSA-N 437.924 0.809 50 20 ICGD O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786603941 QNYSPNJMZMPFHF-GGXPGOJBSA-N 438.908 0.927 50 20 ICGD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C[C@@H]21 1789882697 XTALBKRHYBINGD-CAVRUCQQSA-N 446.454 0.986 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926308 RFMLSIPXGZQNCB-HYFYGGESSA-N 436.322 0.961 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccn4c3)C[C@@H]21 1791291387 SZSBXHVVOAZHCH-BZSNNMDCSA-N 442.520 0.301 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794467365 KSAWLIURCHHTBJ-KPEUIFRASA-N 433.896 0.724 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccsc1 1795830255 MXUXRTHUHPAHMT-ZSBFGKGUSA-N 429.502 0.193 50 20 ICGD CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1Cl 1796191136 CWKCHVFXLCZCKW-QDMKHBRRSA-N 430.701 0.871 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2)[C@@H](F)Br 1799350047 QLUACDNOPXQHPH-BKFJMODKSA-N 435.168 0.372 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1F 1799569986 LXDVVMIRILVHJU-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800640415 WRZDCXBCVSLTLS-OXIQGZBJSA-N 429.315 0.358 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1800979602 QVPAQNZTFDRHEL-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805893086 KNKXVFQMKZAVQY-MAUKXSAKSA-N 448.487 0.447 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360449 BTZWCZVMNWLSRK-WIYYLYMNSA-N 439.321 0.896 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364451 QKRXAGFGXAXRSZ-DENIHFKCSA-N 438.337 0.469 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366828 OMQPPMJPJZFKLK-BSIFCXSSSA-N 438.337 0.421 50 20 ICGD O=C(Cc1cscn1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810067258 GKRAHIQMLMNTLF-UHFFFAOYSA-N 427.335 0.910 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1813068164 JCVXJSRWNFOPNG-FOIQADDNSA-N 441.492 0.270 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C(=O)c1ccco1 1815755154 QMKGITZOIZIMNB-INIZCTEOSA-N 436.233 0.871 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1815954072 HOZGVTOOCPEYSW-GOSISDBHSA-N 436.281 0.601 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnn1 1817476021 ZVYKHFXJUZNDHX-GUYCJALGSA-N 437.269 0.248 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476532 WGNPVASZVDDLRH-CXAGYDPISA-N 439.281 0.086 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817479830 TZHVTTXGHPABRU-YVNUBYTISA-N 440.309 0.947 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cccn1 1817479841 UIKLUVZDIQGZLI-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1817689874 DAQKVSYGFZRWGS-LBPRGKRZSA-N 448.553 0.914 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822183695 GVPZHRRSTFSHJV-GXSJLCMTSA-N 441.286 0.737 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051523 ZZQNZGHMKCFCQZ-SFHVURJKSA-N 440.309 0.792 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831751547 GTWXUHTVCPKVOH-IAQYHMDHSA-N 433.328 0.782 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)no1 1831871128 NNEYHWDJCVJMSH-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832027133 PKXHAKONQDPCNY-SIKLNZKXSA-N 447.919 0.833 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc([N+](=O)[O-])o1 1833001743 CIXJWUJVRDMZKO-AWEZNQCLSA-N 428.873 0.973 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1833810368 IPQNQJTWWYTTFR-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604195 KZINEMRVHOQJRT-WGOQTCKBSA-N 441.536 0.996 50 20 ICGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718234 LVWQGBFOMIQMQD-CQSZACIVSA-N 429.861 0.530 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837401280 XMJISPDRPCVFIK-GDZNZVCISA-N 437.306 0.706 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cncn3C)CC2)CC1 1837514617 KDLNVFZFZHFEFM-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n(C)n1 1837710389 YJYPFXDNSAGEMZ-LJQANCHMSA-N 440.573 0.350 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1838784977 BZMMJPPSSCMTBQ-WMLDXEAASA-N 429.945 0.765 50 20 ICGD O=C(c1cc(=O)cco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197845 JVFAFQMAOGHEGM-CJNGLKHVSA-N 433.230 0.400 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc(O)n1 1839199884 YPORLHHQMREMFT-WMLDXEAASA-N 446.273 0.856 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201183 YUQUZNMEZBNSLX-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839962409 DCTRRRGJGQDFRY-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840427670 NHYMSYFEHSSLBI-TWOQFEAHSA-N 441.912 0.559 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840639142 CCURQGXNKODIGF-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD O=C(c1cnc2cc(Cl)ccn12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011092 PJHPABIHRFMHSR-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(O)c1OC 1843012050 YPHDSARIXIGYQY-UHFFFAOYSA-N 440.261 0.220 50 20 ICGD C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)NC(=O)OC(C)(C)C 1843013735 GWUBNHJHNMLLGI-OAHLLOKOSA-N 445.325 0.487 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843015365 HTPWQSHBKLUYOF-UHFFFAOYSA-N 443.309 0.241 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1)NC(=O)NCc1ccccc1 1843844903 VKUWIMGHSASLJD-HDICACEKSA-N 429.521 0.307 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1844775263 UFEYPUVCHHTECH-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845061000 WJRCQVXUCLEFQF-UHFFFAOYSA-N 431.298 0.097 50 20 ICGD CC(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 20915538 BZRXWUNGMLYKDU-CYBMUJFWSA-N 439.943 0.225 50 20 ICGD O=C(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 728330376 JCENFBVQIRRWFC-KRWDZBQOSA-N 442.428 0.395 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728847056 ZPBKIMSTRQLUGC-UHFFFAOYSA-N 447.517 0.574 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 729274208 GNFLHNNLVHKWIV-VIFPVBQESA-N 427.433 0.338 50 20 ICGD O=C(CC[C@@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 731955824 DZNCFVRZBHLUSR-INIZCTEOSA-N 425.507 0.818 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733170838 CNCHJMZVEWHGQV-SFHVURJKSA-N 431.460 0.922 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n1 741349644 BORQEGVIISTONZ-QGZVFWFLSA-N 446.529 0.976 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 743580454 YUEBCWMRKXVZMB-UHFFFAOYSA-N 433.465 0.702 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 743625969 ZXWKTQUTZZLBMU-UHFFFAOYSA-N 437.478 0.080 50 20 ICGD COc1cccc(CC(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)c1 744390186 AQVAUHQHKWIRGD-UHFFFAOYSA-N 435.484 0.715 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1OC 745905417 JJRKRQCCOQETMN-CQSZACIVSA-N 430.465 0.885 50 20 ICGD COc1cc(C)nc(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 746769310 LNAPEGJRRNXHHT-UHFFFAOYSA-N 449.537 0.556 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2)c1 748662878 XVOJDMKUMUBRBT-ZDUSSCGKSA-N 431.449 0.636 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)COc1ccc(F)cc1 749901664 UUZMGRSCSNHDLH-UHFFFAOYSA-N 439.411 0.230 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1 753948569 OGJXIMGGIGELEK-CABCVRRESA-N 428.511 0.140 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 756526815 OICUNDRAOIBOJU-UHFFFAOYSA-N 440.503 0.773 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 756836638 CHXOPIZKOWMCMZ-GASCZTMLSA-N 444.492 0.923 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(F)F 757917742 NVAZXGJOZXJNMZ-QMMMGPOBSA-N 425.435 0.615 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1 763678151 DWJPHDNOSINJET-UHFFFAOYSA-N 449.423 0.372 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 763818628 MRPXBSYIHBYFRN-OAHLLOKOSA-N 429.864 0.661 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)ccc1F 763838108 NPGBNJAIBPSZBC-UHFFFAOYSA-N 431.359 0.414 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 763880204 CPQYCBRIVJCZNS-UHFFFAOYSA-N 440.851 0.997 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1=O 764363195 LRGDQJHZMQPPTF-UHFFFAOYSA-N 437.250 0.451 50 20 ICGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734685 CJXUYUGMPFEBNW-HNNXBMFYSA-N 443.529 0.472 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC)NC(=O)CC2 768229241 ALDIINFKWCHFCJ-UHFFFAOYSA-N 442.428 0.753 50 20 ICGD COc1cccc([C@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C2CC2)c1 776488539 ORXSMBPSGMRVGX-LPHOPBHVSA-N 437.456 0.928 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNc1cccc(S(C)(=O)=O)c1 776530125 HXPLIPJCXDWGSL-UHFFFAOYSA-N 430.490 0.924 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 778515549 PFASXJDHIRQINV-HZPDHXFCSA-N 440.478 0.024 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1cc(Cl)ccn1 778622073 RYQXLEINEWQBLG-UHFFFAOYSA-N 439.929 0.908 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1cc(C)nc(C)n1 783326289 BRJXIVRPDLXVGK-UHFFFAOYSA-N 433.421 0.988 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NN=c2sc3ccccc3n2C)c2ccccc2O1 783351524 FXCIMMCGQFZXIV-OAHLLOKOSA-N 425.470 0.712 50 20 ICGD CN(C)CCCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785066467 BHANCEFHTVLASA-UHFFFAOYSA-N 438.488 0.993 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccc(Cl)c1 786358361 HRYDQQJTJRPUTR-BQGCOEIASA-N 449.847 0.197 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nnn1Cc1ccc(F)cc1F 790126536 XMIWKYVKMHWWEX-UHFFFAOYSA-N 439.386 0.964 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(-n2cccn2)c1 792352139 BRLHMKDKDBSKOG-UHFFFAOYSA-N 447.415 0.256 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCN2CCN(C)C(C)(C)C2)nc1 799686700 HEOSVLGWYRZECN-UHFFFAOYSA-N 427.575 0.420 50 20 ICGD O=C(COC(=O)[C@@H]1COCCN1CC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 801350401 VKNZWRTZQRRWHA-LBPRGKRZSA-N 434.327 0.162 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)(F)F 806567951 MUBLRMYWAVFKRD-LLVKDONJSA-N 426.373 0.182 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c(OC)c1 810387532 ZQLRZCKOPILKPC-UHFFFAOYSA-N 435.400 0.556 50 20 ICGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 814969745 OLUQOPRMAMHXGA-UHFFFAOYSA-N 425.492 0.788 50 20 ICGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691980 GVBWVQVFTSYHIO-HNNXBMFYSA-N 443.508 0.347 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1C 913535912 LTHLBJSVVVILDF-UHFFFAOYSA-N 429.502 0.859 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN(C)C(=O)c2cccs2)cc1OC 914958458 PMABGUYOADKHBT-UHFFFAOYSA-N 435.458 0.842 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c(O)c1 917754041 WLFYQUHYFXZUJX-LBPRGKRZSA-N 433.442 0.761 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)c1csc(N2CCOCC2)n1 919690994 XXQLMHLZFASPCF-CQSZACIVSA-N 433.465 0.933 50 20 ICGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)Cn1cccn1 919778940 LMBZCKLSOYZWJO-OAHLLOKOSA-N 436.542 0.177 50 20 ICGD Cc1c(NC(=O)CSCC(=O)NNc2cnnn2C)c(=O)n(-c2ccccc2)n1C 1347710609 ZSLMPXDMJZRHOA-UHFFFAOYSA-N 430.494 0.428 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778007126 RVAIYGLASSBCLN-AUUYWEPGSA-N 438.557 0.867 50 20 ICGD Cc1cc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)no1 1779441664 ZVLPUHURKSPYNG-KXJNKWKMSA-N 447.536 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365633 HZUDGBCNIASQTL-YMTOWFKASA-N 425.795 0.521 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1783875423 RJXDULONFGFDMI-VLIAUNLRSA-N 436.896 0.753 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785693073 ZFYILWKYIDZQMV-ABHRYQDASA-N 430.864 0.630 50 20 ICGD CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N(CC)CC 1786983279 LPNVWUHPEXKCAX-VMXMFDLUSA-N 445.369 0.080 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787509163 XDNCJUPARBBQFL-GUXQRHPKSA-N 432.525 0.098 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21)NC(=O)NCc1ccccc1 1789727656 KQSLLRRYTYXVBF-UFYCRDLUSA-N 443.548 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3onc4ccccc34)[C@H]2C1 1790406624 DNUYBCLOZZEKEL-ZVZYQTTQSA-N 443.504 0.794 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1791295550 MLOHFNTWFPHOGJ-NMUGVGKYSA-N 437.349 0.572 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C34CCC(CC3)CC4)[C@H]2C1 1791762736 ODIHHNBFNQNTEX-HVLHEWCSSA-N 440.349 0.930 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2)[C@H](O)CCl 1792981419 YJYRPQOPCDFPDR-HZZFPTLFSA-N 428.276 0.414 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)C1 1793116460 OTJVVWVBWMERJU-MTCCJSQRSA-N 445.944 0.596 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795295033 JQWYOFGRFCEZNB-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796368939 SKIFRYYLELJSJL-DXUDUQDWSA-N 449.907 0.481 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798466068 RNWJGKYXNYZPHR-BJWYYQGGSA-N 439.516 0.636 50 20 ICGD COCc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1 1799201066 GXLOVEVSBDLBKE-QDMKHBRRSA-N 426.477 0.725 50 20 ICGD CN1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1799869078 AVMYVCVYNXSHRB-ACDBMABISA-N 442.564 0.532 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800130381 HDLOBSVRDOHUKR-KPEUIFRASA-N 439.944 0.176 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1800332917 BTYUVLOXSDCWFA-RBCWYBIJSA-N 442.426 0.753 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(B(O)O)c1 1800661722 RPXPXWKBKJXYQP-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801427962 BVFQWALQXJBHRH-DFYYWFRZSA-N 426.278 0.041 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1802276423 HZCSCRVDKYZIJR-AICCOOGYSA-N 433.933 0.764 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@H](O)c3ccco3)C2)CC1 1804886516 JBPKYMJOUNGUSN-LJQANCHMSA-N 426.278 0.538 50 20 ICGD Cn1cccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805351199 MSJHLSKWABFMGT-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340888 PPJCHJURDRMKSZ-PBHICJAKSA-N 437.342 0.712 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362982 LCURSLANTCPZTR-WMZHIEFXSA-N 444.300 0.719 50 20 ICGD O=C(CCCn1ccnc1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980184 KEEWNAAWSKFQOR-UHFFFAOYSA-N 438.337 0.888 50 20 ICGD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299612 SVPOWYJFKWJJQY-UZLBHIALSA-N 438.488 0.769 50 20 ICGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1)C(=O)C(=O)O 1821716111 YWDHEWGNWXJMQP-CABZTGNLSA-N 448.249 0.635 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCCCC2=O)n[nH]1 1822303336 CNFISVLLHVRNIM-INIZCTEOSA-N 447.540 0.787 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822369937 JSNWZTOLEIADFP-JQWIXIFHSA-N 426.861 0.207 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1825999692 CEORYMHZJUEVFF-RFXMVYNHSA-N 434.902 0.373 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053228 ZMZKEQSQSRELIE-GOSISDBHSA-N 425.298 0.340 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c1 1830538811 QYPMLFGYKJGCJT-CRAIPNDOSA-N 443.342 0.679 50 20 ICGD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830726645 SHLBJLZHXHONBN-YLJYHZDGSA-N 441.912 0.079 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831640590 NXCLNZPQWSCXNB-UZLBHIALSA-N 425.913 0.863 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831834818 IYXWCHAYWGKKIX-ROUUACIJSA-N 433.977 0.147 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Br)CC2)CC1 1833523141 ATAKJPAWOLQWQN-QWHCGFSZSA-N 431.375 0.853 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833944249 JDAOORQYJCNUCL-NRFANRHFSA-N 444.318 0.120 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238353 BOGYTJCVEXFHBZ-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)c1cnc(O)[nH]1 1835964330 LLRPFKNPYVTISR-CYBMUJFWSA-N 432.294 0.991 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836934899 XOKPTSBASJODLJ-MGPUTAFESA-N 436.896 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1838515683 BLHOXOKMUVPRFM-UHFFFAOYSA-N 448.524 0.167 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105686 ABIDZEIYNLNULV-QKLQHJQFSA-N 430.977 0.096 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cnn1C 1839197753 HUNLOXYZSIWZFK-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199172 RTHNFEUEHWFFJP-CKEIUWERSA-N 436.322 0.618 50 20 ICGD COc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc(F)c1F 1839382148 FKJZUVKRFOZGCY-IFXJQAMLSA-N 448.850 0.643 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1839961991 POZZWDCXWVULLK-RKVPGOIHSA-N 448.358 0.531 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839967797 ZEBINJXWTREDED-YOEHRIQHSA-N 444.330 0.298 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840030554 PDZHHOIBWSCEAQ-RLFYNMQTSA-N 432.359 0.711 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1840153878 DLHBSJWYXLECFB-MGPUTAFESA-N 442.896 0.725 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1840817284 QGKIELQDKYRFOO-BEFAXECRSA-N 449.907 0.846 50 20 ICGD CN[C@H](CC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)O 1842949785 PSNFPMXRJJJCBH-OLZOCXBDSA-N 446.932 0.385 50 20 ICGD Cn1cc2cc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)ccc2n1 1844265155 ZCFOZMJNICZZFS-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)C1 1844453433 PBHCYSPGXFPLTA-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1N(C)C 1845114386 HFJJMRZYYHWEMQ-UHFFFAOYSA-N 437.305 0.572 50 20 ICGD O=C(NCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)c1csc(N2CCOCC2)n1 9790535 JFQLICOLCGWXSG-UHFFFAOYSA-N 435.466 0.944 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 728953782 LMQHVBVTSYBKPQ-UHFFFAOYSA-N 449.418 0.970 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 730066303 FWTFZBJTESMOQT-UHFFFAOYSA-N 440.503 0.291 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 734822455 WTEBYDQSIHRSNV-UHFFFAOYSA-N 425.446 0.911 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)CCc3ccccc3)CC2=O)c1 746191300 OOQBJMSILHGRRQ-OAHLLOKOSA-N 430.486 0.467 50 20 ICGD Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748110706 BRWNZXCUYCXQPA-UHFFFAOYSA-N 449.533 0.700 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)n1 750579301 WMWYYXLNSDEGNB-NSHDSACASA-N 431.474 0.775 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 751259662 BRQUXQRCKDMDNB-UHFFFAOYSA-N 435.487 0.361 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)oc2C)cc1C 754142440 BXVRQTAMTIEFJG-UHFFFAOYSA-N 429.476 0.786 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCC(O)CC1)c(=O)n2Cc1ccccc1 761766597 LEYBQRPHNAYKJO-UHFFFAOYSA-N 438.488 0.835 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763712459 RLHGXSPHFSPJCX-UHFFFAOYSA-N 433.428 0.866 50 20 ICGD CCc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763739013 XNRPVTBUHMCRNV-UHFFFAOYSA-N 432.502 0.964 50 20 ICGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763806098 ZEJIBKQFNJEOSX-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)n1 763890803 GWNKKPLZHASMLW-UHFFFAOYSA-N 430.856 0.579 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 764003047 XBVYHBUHIPIXRA-ZDUSSCGKSA-N 441.469 0.546 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 764003087 YANTXVKJSWBVNT-ZETCQYMHSA-N 425.797 0.462 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)n[nH]2)cc1 764111617 PATXIRCCWGWVMS-UHFFFAOYSA-N 447.455 0.975 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764263634 JTTZBRCJCSPFDP-UHFFFAOYSA-N 433.490 0.441 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764380409 ZXVTUJXBYRSGHW-UHFFFAOYSA-N 427.385 0.848 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 764433048 LBPQPNFWXVHMIG-ZQHDKMAOSA-N 431.470 0.496 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[nH]c21 768278004 XUYOQTXXNKTRLP-UHFFFAOYSA-N 440.395 0.285 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 769766600 XATWNNPEHYHYSC-LBPRGKRZSA-N 433.625 0.918 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)C2=S=C3CCCC3=C2)nn1 773493684 GRNKSHVUYDFMPR-UHFFFAOYSA-N 425.474 0.567 50 20 ICGD O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 773647957 IEPQIIFTBIYDAP-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 780527166 ODIRIQQBQGRGQP-ZUOKHONESA-N 426.514 0.855 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1F 782145130 CWTAPTHOCCPVEM-LLVKDONJSA-N 447.423 0.993 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782887452 PGWGVASJGJQXTI-UHFFFAOYSA-N 439.428 0.454 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)nc2ccccc21 782895013 VNLIPVFYIOKUGM-UHFFFAOYSA-N 438.419 0.926 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1nc2c(s1)CCCCC2 789740426 GOBAHDDXWXLUMH-UHFFFAOYSA-N 426.462 0.787 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)[C@H]3CCS(=O)(=O)C3)o2)cc1 812455661 NTOZAFFKXQOYPR-ZDUSSCGKSA-N 425.488 0.740 50 20 ICGD CC(=NNC(=O)CCNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814899907 URZHNSOVOARREY-UHFFFAOYSA-N 426.495 0.701 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 815692800 BUTZRKRBGQFGIJ-GFCCVEGCSA-N 439.407 0.953 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@H](C)CN2CCOCC2)CC1 914555010 FYKWJYLSPCYOMD-CYBMUJFWSA-N 426.543 0.252 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1ccc(Cl)nn1 916516109 DWDJBEWUFDAUMP-UHFFFAOYSA-N 440.917 0.303 50 20 ICGD CCOc1ccccc1C(=O)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 917138364 ASBXTZAGSBEDRM-UHFFFAOYSA-N 445.545 0.998 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n[nH]2)cc1 917178334 HOMYIWQULDHTSM-LSDHHAIUSA-N 445.501 0.182 50 20 ICGD O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 917314191 JDXOLLLSSYEKKS-HNNXBMFYSA-N 428.357 0.689 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 917724028 RMHHCJLFILDVMK-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CN2CCCC2=O)c1 918100270 TWKOVCGWQKLMHZ-AWEZNQCLSA-N 439.538 0.672 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c(O)c1 918337417 MDABKZQYKZJVJU-UHFFFAOYSA-N 425.488 0.858 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1ccc(Cl)cc1O 918358710 XMTYKPZLUKZQQQ-UHFFFAOYSA-N 428.832 0.879 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCCc2cccs2)cc1 920861182 HBXGXVMAGYTLJP-LBPRGKRZSA-N 426.520 0.997 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 1261201014 QCSTUUUJFMNCRA-GASCZTMLSA-N 442.538 0.010 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783324150 YSVLRXBGPOPOLS-HTAPYJJXSA-N 432.521 0.657 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1783536977 MYWNKRCBABXZSB-PXAZEXFGSA-N 427.299 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc[nH]c4c3)[C@H]2C1 1788330614 BHOONOTVMRWUOG-BXWFABGCSA-N 442.520 0.529 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789860311 OSUSPOOYDYHAPY-LHEWDLALSA-N 430.958 0.786 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791229319 OPLCHGSXHRARGU-WBAHDQRJSA-N 428.913 0.321 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCSCC3)[C@H]2C1 1792289669 NBQQJKPFKNRRSZ-WBAXXEDZSA-N 447.561 0.422 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975713 XEQYMDVKNQWMBB-XLWJZTARSA-N 431.917 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCc1ccncc1 1794134549 BSPPEJZIHSJIJD-OPMZPASUSA-N 431.537 0.367 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc(C)c1O 1801700494 XGEQJRVSJRSIPZ-OPVJXMOQSA-N 438.289 0.206 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)[nH]1 1807362799 MEUQVRGHTSLYKY-XLIONFOSSA-N 433.277 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1810299928 VPALEHPLIIRLOE-BEFAXECRSA-N 446.471 0.504 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2(F)CC2)[C@@H]1c1cccnc1 1812458227 DIXDVPRRAWSUPR-YOEHRIQHSA-N 426.452 0.902 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1(O)CCC1 1814422355 KUBYZRGJCDVSOC-KBXCAEBGSA-N 440.309 0.947 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CN(C)C1)CC2 1817283232 YKJFYLUTPVFMSA-BTIIEKFUSA-N 443.533 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1 1819403249 ATHCPADGADFHFI-ZDUSSCGKSA-N 440.420 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1 1822416711 LJSPTWUJKQZXKK-HNNXBMFYSA-N 431.501 0.457 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725797 MBHVPSCCCJELQA-SIKLNZKXSA-N 447.919 0.833 50 20 ICGD CNc1nsnc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833070084 PMQQACPSSVRNAJ-ZDUSSCGKSA-N 430.962 0.365 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790516 RSUPKGLAXUTYDD-BZNIZROVSA-N 447.717 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3OC)CC2)CC1 1833972135 WAOYROQEVRUYOG-MRXNPFEDSA-N 439.944 0.924 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)C(F)F)CC2)CC1 1835118319 OGSQUMIGTLITOC-DHRITJCHSA-N 438.479 0.957 50 20 ICGD CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835659033 RBZHNQOIXZDRPR-YMGMXPECSA-N 436.018 0.971 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997521 PSZAIKQXLWWPME-HXUWFJFHSA-N 437.569 0.156 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202056 IHRPGFRIFDDQPA-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625701 HNCIFCSDJHUIDF-OXJNMPFZSA-N 438.912 0.884 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199406 OAESDHKBMLOZIT-GUYCJALGSA-N 449.321 0.415 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839962722 PLXRQZQLEAVKFO-IAQYHMDHSA-N 433.328 0.782 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034689 TWTVDDSBBAVAHS-KSSFIOAISA-N 447.326 0.736 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840429994 KFFRMAWDMWJFCF-YJBOKZPZSA-N 443.342 0.761 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC3(CCCN3C(=O)[C@H](O)CCl)C1)C2 1841353400 WSNUNUXBTXMUOT-UKRRQHHQSA-N 438.912 0.425 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1c(F)ccc(O)c1F)C2 1844265135 WZJJUOVRQWTBNG-UHFFFAOYSA-N 431.399 0.800 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CO[Si](C)(C)C 1847511325 KQGQWKXPFYKKTK-KKUMJFAQSA-N 429.590 0.925 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1COc2ccccc2O1 1848074495 OYJNOHHIFQDGHM-BXWFABGCSA-N 437.456 0.341 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1sccc1S(N)(=O)=O 10932981 FADXNFNCSHKIGA-UHFFFAOYSA-N 447.878 0.676 50 20 ICGD O=C(COC(=O)CCN1C(=O)COc2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 17989036 HMKSUAPTOIXLGW-UHFFFAOYSA-N 442.384 0.715 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1OC 726662863 DUWGHGLNTKZEHB-UHFFFAOYSA-N 435.393 0.548 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(C#N)n1C 728322383 SCFUMNOQOIHVFR-QEXPOGAPSA-N 449.423 0.643 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 729273908 AGJDMOAUGRVLLR-JTQLQIEISA-N 446.532 0.248 50 20 ICGD CN(C)C(=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCC1 733658977 PELFTZQPNFIGJA-UHFFFAOYSA-N 439.538 0.530 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 734816739 YTDOMTSJESIOEL-UHFFFAOYSA-N 441.462 0.441 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNc3ccnc(N(C)C)n3)cc2[N+](=O)[O-])CC1 740118505 WCKISMRTOFIRII-UHFFFAOYSA-N 428.453 0.876 50 20 ICGD C[C@@H](O)CC(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745845869 CNNFPIIBQCIWDB-CQSZACIVSA-N 428.559 0.441 50 20 ICGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)o1 746110138 YVZZOUCLMGBAGU-UHFFFAOYSA-N 430.442 0.200 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)Cc1cn2ccccc2n1 746641702 SGMYVWQOOXDKFO-UHFFFAOYSA-N 446.445 0.301 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 755924225 HSMFGHHPPSEKRB-UHFFFAOYSA-N 437.522 0.860 50 20 ICGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)s1 756688315 ZTTBYMCTWPLGBW-UHFFFAOYSA-N 445.461 0.747 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)N=c3nc[nH]n3C)c2)cc1 757760204 GCGMBMVGULLSHN-UHFFFAOYSA-N 445.461 0.513 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)c2ccccc2O1 763521549 FYLPPKBGCJHINU-LJQANCHMSA-N 448.435 0.847 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 763649961 OKGUSUJFXHZGKX-UHFFFAOYSA-N 439.472 0.994 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 763650898 SJUHCKYGWAEQCB-UHFFFAOYSA-N 435.462 0.080 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 763809662 YSSNGVXUAYCFIS-UHFFFAOYSA-N 439.403 0.989 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 763818626 MRPXBSYIHBYFRN-HNNXBMFYSA-N 429.864 0.661 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 763830604 FNXQUBWSRGLLHZ-UHFFFAOYSA-N 444.513 0.850 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763850912 QRTNXPWAXVVKBZ-JTQLQIEISA-N 441.412 0.922 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764168509 QATWUGAPKQRZEH-HNNXBMFYSA-N 439.457 0.474 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764277001 FXZSEMFKAFMHAK-LBPRGKRZSA-N 430.417 0.531 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 764398385 GPVPJTPNPOUESK-OAHLLOKOSA-N 435.525 0.354 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 764399911 NLOOEMFFTFKCRU-CYBMUJFWSA-N 427.417 0.883 50 20 ICGD O=C(COc1ccccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1 768017451 MGGWCONTJWEJRD-CYBMUJFWSA-N 447.473 0.687 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc2c1=O 769158225 ZRTAPWYPAYFIDF-ROUUACIJSA-N 442.520 0.738 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 770436552 XDNPUFMFBVJRDR-PBHICJAKSA-N 441.554 0.380 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)nc21 770974418 LJOVSMHOUOSFSJ-SECBINFHSA-N 432.422 0.787 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 771964099 TUPUYDXOYVSRRY-HNNXBMFYSA-N 439.534 0.859 50 20 ICGD CN(CCNC(=O)NNc1nc(O)c2cnn(C)c2n1)S(=O)(=O)c1cccs1 772628927 KNLQUXBHIVDWEC-UHFFFAOYSA-N 426.484 0.077 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cnc2ccccc2n1 773718676 QUXCDYPZJFXBRF-UHFFFAOYSA-N 444.473 0.971 50 20 ICGD O=C(NC[C@@H]1COC2(CCCCC2)O1)NNC(=O)c1csc(N2CCOCC2)n1 775715319 WWNDNVINVUPPCZ-CYBMUJFWSA-N 425.511 1.000 50 20 ICGD O=C(NN=c1cc[nH]cc1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 783376742 OYNHNZQCCJBZOV-UHFFFAOYSA-N 429.502 0.711 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1 784851916 NIQDCZDWUBINRG-LLVKDONJSA-N 425.442 0.616 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785061310 VXHMCIWSPCEMAN-CYBMUJFWSA-N 438.444 0.636 50 20 ICGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 789584274 GECKIRPXEBPZQV-VIFPVBQESA-N 440.254 0.745 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 790784423 OHHMMSXFDOKEHO-UHFFFAOYSA-N 440.548 0.693 50 20 ICGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 793349983 BOTKJUUNWJPZIF-KRWDZBQOSA-N 436.442 0.769 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794721885 RNUCSWSOPFWSFA-AWEZNQCLSA-N 438.597 0.441 50 20 ICGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)CNC(=O)c1cccs1)c1ccccc1 795310638 ACHKFLUBNGHNME-CYBMUJFWSA-N 425.488 0.385 50 20 ICGD O=C(COC(=O)C1CCC(NC(=O)C2CC2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 795955544 LNZMJGBGAIMMSH-JMLCCBQJSA-N 445.472 0.602 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NC[C@H]1CCCS(=O)(=O)C1 806042298 RVGLTPSFLUFUPL-LLVKDONJSA-N 434.312 0.983 50 20 ICGD COC[C@@]1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CCN(C(=O)OC(C)(C)C)C1 809981342 HPADXFKDVRLJDR-VWKPWSFCSA-N 442.557 0.907 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc3c2OCC(=O)N3)c1 810256222 XZDPXKLIRMMUCZ-UHFFFAOYSA-N 433.446 0.734 50 20 ICGD CCOC(Cn1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)nn1)OCC 812726264 AFDVHCQMVUMDMZ-UHFFFAOYSA-N 426.499 0.684 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(Cl)n3)cn2)C[C@H](C)O1 815726170 RLNRHTCXWMOVDF-RYUDHWBXSA-N 435.872 0.649 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 816828988 XFKLMSHWWSATIZ-QWRGUYRKSA-N 449.327 0.279 50 20 ICGD COC(=O)c1c(F)cccc1NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 819710337 HCGUKPXLDRTBPQ-SNVBAGLBSA-N 427.458 0.773 50 20 ICGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)s1 917625007 LNBUTSIJBKDWEC-MRVPVSSYSA-N 438.325 0.165 50 20 ICGD CC[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C 918225127 FMPGFRUFORFEKT-DNVCBOLYSA-N 426.539 0.986 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)CC(F)(F)F 918365232 XIIXXXAAFDXMJZ-UHFFFAOYSA-N 425.385 0.616 50 20 ICGD Cc1nn(C)c2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc12 928984104 TVHXTINIBCWKPC-INIZCTEOSA-N 425.401 0.421 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 1115994778 FWIVXTZEPZEKQI-UHFFFAOYSA-N 426.477 0.936 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 1261201016 QCSTUUUJFMNCRA-HUUCEWRRSA-N 442.538 0.010 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(F)cn2C)C1 1778375458 ZEWQIWQCCSDCAJ-DYESRHJHSA-N 437.516 0.665 50 20 ICGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779031818 YNOSHKVYXPVUNC-PGRDOPGGSA-N 446.552 0.151 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373158 IZFSUQVYZJJGPR-BDLVCKJPSA-N 446.552 0.186 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249616 ROIHEQOLPOJJED-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@@]1(F)Cl 1782291774 TZIJELMMCIFOTK-FIYPYCPBSA-N 438.692 0.418 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1783874706 ASBRZPVJZSQESC-FXAWDEMLSA-N 433.896 0.965 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1783966710 KPBIFYQCQZCMLD-CYDGBPFRSA-N 443.346 0.330 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783967265 RFQBUQBDVRTLMJ-RFGFWPKPSA-N 449.415 0.481 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)N1CCN(C)CC1 1786409095 ZAKMXWZXNJKNEM-QAETUUGQSA-N 445.402 0.387 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986496 HDIHTTZRBXSYKZ-GWKIZSTFSA-N 440.305 0.432 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138859 ZBKBWDWZSMXWRZ-AJNGGQMLSA-N 446.342 0.982 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cccnc2[nH]1 1788369838 WRJJOKFXZKLZSF-QRFRQXIXSA-N 448.288 0.150 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3oncc3C)[C@H]2C1 1789127026 XHGCAOOAVIHVGG-RPIBGLMYSA-N 442.476 0.710 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C 1794892615 ZNFMWVZQVSMDLW-NSKVJOCLSA-N 441.492 0.066 50 20 ICGD CCOc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798832598 WUGJOIAXEUEZPV-VPTLXERWSA-N 432.521 0.662 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc2nn[nH]c2c1 1800143759 BDVNGCJSZPTTJT-RDBQEKCUSA-N 426.246 0.852 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1805920674 ZXDXYGSPAZKHGO-UWJYYQICSA-N 441.536 0.991 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cnn1C 1807361436 AMNIINSSDYAXDO-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369686 RWNKQZYWLZSSMP-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374686 JBQAJEWQUGDQJE-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807512351 CQUCSFWQOWPBLM-AVRDEDQJSA-N 447.304 0.057 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807706492 KLXGJTFHOZDARL-BTFPBAQTSA-N 429.290 0.501 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1 1810295588 UBWDOKZYVBWKQA-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1 1810303605 SUSWDCZJYANTPI-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccns1)CC2)c1cccc(B(O)O)c1 1815355637 XUMIDNZALWZWJB-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)c1 1815764836 UAKNKCDAVJVOSP-CYBMUJFWSA-N 433.538 0.633 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479431 MQWYIJHZRITIQO-HOCLYGCPSA-N 434.689 0.649 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cccn2)n[nH]1 1817626308 NMNJXTBOEWPRJX-INIZCTEOSA-N 437.464 0.611 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816559 GKPYGDBUWMFJBY-CABZTGNLSA-N 449.859 0.095 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824179850 ZKCIIIQVMXHHOJ-JKSUJKDBSA-N 425.913 0.521 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)COC1 1824910830 IOMAMKKJSOZASG-CQSZACIVSA-N 429.307 0.475 50 20 ICGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2 1825331546 PIWWOWGGWVJZFX-VIFPVBQESA-N 425.338 0.145 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cncc(O)c3)sc2C1 1825727936 DVEOOSRBIVXBQZ-GFCCVEGCSA-N 432.506 0.843 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830374185 AHOOVQLEPDEBGG-VNHYZAJKSA-N 435.338 0.889 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1830535249 KKZJLORTKNIGLA-SJCJKPOMSA-N 445.314 0.227 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)no1 1830536048 XAQLTTSRPHLMAP-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1830537303 DBCCXPDAHFOIFZ-SCLBCKFNSA-N 443.294 0.741 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732222 WLRYTYKHBJYRBA-RXVVDRJESA-N 448.907 0.608 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798291 CRTBUADGHSIILG-UHFFFAOYSA-N 435.333 0.865 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931299 MAHSGMIWJKOFIC-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1ccccc1=O 1837691053 GVBOBPLGEOEWAU-ACJLOTCBSA-N 432.304 0.669 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1 1837922018 BLAAPFBKHFKROW-SFHVURJKSA-N 444.337 0.405 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839111134 JXZMGBJXFXZJJH-JOCHJYFZSA-N 430.310 0.183 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839147778 CFMWYPGURYMWKH-CKIVDRAYSA-N 428.913 0.804 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184496 QGQACGZDOZMJOU-XMSQKQJNSA-N 436.553 0.562 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840433146 HRWRYUWGXSOOGY-CPUCHLNUSA-N 447.305 0.666 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)C1 1841343305 HZMNJTDQFMWVJN-FNYWAWLUSA-N 443.504 0.913 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013170 PSZOENKLBIJWAA-UHFFFAOYSA-N 445.325 0.487 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843506482 UDBYRELMMXFLJN-UHFFFAOYSA-N 434.305 0.492 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)[C@@H](O)C1 1845104048 RZRIEYSWNVUQEM-MJBXVCDLSA-N 431.917 0.017 50 20 ICGD O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O 10159908 SSGUGPUBOJDMHN-UHFFFAOYSA-N 434.412 0.432 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2nc(C)cc(C)n2)cc1 14513585 APWUJDXGHDUMIR-UHFFFAOYSA-N 434.522 0.997 50 20 ICGD NC(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 21783490 ABTDDHMQPFDTFU-UHFFFAOYSA-N 445.501 0.714 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)Cc1nc2ccccc2n1C 117381526 DXQVBHBYUHBFFQ-UHFFFAOYSA-N 448.487 0.654 50 20 ICGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 727765540 JRDFEPCSTRUVIJ-UHFFFAOYSA-N 430.486 0.452 50 20 ICGD CNC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 728606042 AJYGZVCVSYOOGQ-UHFFFAOYSA-N 432.506 0.134 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)Cc1cccnc1)n2C 728851048 KPLXBHQJARQLNN-UHFFFAOYSA-N 444.517 0.541 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728890478 SEXHUPZRXRDSGV-UHFFFAOYSA-N 438.492 0.838 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275932 SKIYFDGSIBQUTN-GXFFZTMASA-N 446.913 0.038 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 732262436 SNUVONORPSWBCH-TXEJJXNPSA-N 441.872 0.625 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 733045238 HROSPVSQOKFELR-UHFFFAOYSA-N 435.409 0.803 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733170837 CNCHJMZVEWHGQV-GOSISDBHSA-N 431.460 0.922 50 20 ICGD CSCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737056358 SJDZSIMRKNVWQX-UHFFFAOYSA-N 444.579 0.724 50 20 ICGD Cn1nnc2cc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 737416250 NREWLEPGEBCFJX-UHFFFAOYSA-N 428.474 0.753 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN(CC4CC4)C3)nc2)CC1 739035314 MMRUIUBBNCWDAY-INIZCTEOSA-N 437.570 0.128 50 20 ICGD COc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)sc(C)c1Br 742576443 BSYPTVXGHPIUFM-ZETCQYMHSA-N 426.314 0.959 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 745848176 RGEFBIDOJGQRGI-KRWDZBQOSA-N 437.456 0.947 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995960 FRROKCFMTAUQNN-WPMUKRGUSA-N 442.563 0.771 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746164123 SOGFEOHIZFPLRD-SRVKXCTJSA-N 434.515 0.264 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 746592157 VKDIPDDJGRWRIU-ZETCQYMHSA-N 431.370 0.358 50 20 ICGD CSCc1noc(CCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)n1 746820933 KMOANNQLQKMNNM-UHFFFAOYSA-N 426.524 0.928 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)o1 747827871 DRQGLIMMTLBYCT-UHFFFAOYSA-N 442.476 0.450 50 20 ICGD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 751291045 RCBXZEISJOAROR-GDBMZVCRSA-N 438.550 0.983 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 756833068 YXNFPGJYPVVGHS-FQEVSTJZSA-N 435.481 0.249 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757762070 DCLLJSBGBUDGTM-ZDUSSCGKSA-N 435.462 0.555 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 759636308 JEJWKPZJEIKYLX-UHFFFAOYSA-N 436.490 0.197 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763575000 OCNDKXQSNWCDMG-KRWDZBQOSA-N 426.429 0.752 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cccc(C)c2)c2ccccc2O1 763619305 RFRWQPYVZKDFGU-QGZVFWFLSA-N 427.413 0.488 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 763660916 KLWOWAGAEFNTNL-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763728218 JQBHTHGOEPISRL-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 763760823 UBCZLJRTHFITLF-UHFFFAOYSA-N 433.490 0.202 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763851849 VWEAADZDYMEVKV-CYBMUJFWSA-N 446.435 0.846 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1=O 763973904 GUUHHYYGCCZBSK-UHFFFAOYSA-N 436.808 0.170 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)cc2)c1=O 763977967 BWAXFSLXLZRXIY-UHFFFAOYSA-N 430.808 0.330 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 764124675 NRPAWHJBAYMTKK-GOSISDBHSA-N 440.456 0.315 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1N1CCCCC1=O 764271213 YGHSREZMAQWZCD-UHFFFAOYSA-N 425.445 0.936 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 764294429 ZBKDNVFZRVVAER-UHFFFAOYSA-N 432.238 0.687 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1 764383111 WEKCSNISUOPWPR-UHFFFAOYSA-N 430.446 0.958 50 20 ICGD COC(=O)c1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c[nH]1 764817836 JGIAFTUZXCEOSI-UHFFFAOYSA-N 447.517 0.566 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 765118381 CFOGGGKABBQBBF-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)cc1 765748711 POPSOCRGUAIUKC-UHFFFAOYSA-N 429.481 0.373 50 20 ICGD O=C(NNc1cnccn1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 766256745 MCXHIKKXXISJJI-UHFFFAOYSA-N 430.490 0.684 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 767493444 POCBGMSFVNYRHU-MRXNPFEDSA-N 446.460 0.888 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(C)c(Cl)n2)cc1 769823836 YTMZWNQSADJPME-UHFFFAOYSA-N 435.915 0.012 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2ccccc2F)C1=O 771266655 LCHFWVZOHQIXQA-OAQYLSRUSA-N 428.420 0.991 50 20 ICGD O=C(CSCC(=O)N1CCCCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772888753 LIMXZFVDJOREMG-UHFFFAOYSA-N 426.926 0.849 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 772971449 LNVYZBDZOHZZQR-SNVBAGLBSA-N 440.865 0.541 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436681 NPHIWAWIVLEASA-JTQLQIEISA-N 434.902 0.679 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)ccc21 778708962 CNQXPTGCUQQSNG-UHFFFAOYSA-N 428.420 0.690 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)c(OC)cc1OC 779844996 NFMWSGDEZIXDRR-UHFFFAOYSA-N 426.245 0.132 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 783034785 IGECJOSTOHXVOZ-UHFFFAOYSA-N 448.505 0.254 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1OC 783263223 INKTZCDTBIUKJT-UHFFFAOYSA-N 437.478 0.867 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)nc1 783265734 WURQRTNCGMXKLM-UHFFFAOYSA-N 445.461 0.900 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCS(=O)(=O)C1 783428032 WFCFXRBNBJGMFL-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785059858 CCZHCBBKHCTICA-UHFFFAOYSA-N 435.444 0.970 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NN=c3cc[nH]cc3)cn2)CC1 786423014 AHRJYFOYPOQUFC-UHFFFAOYSA-N 442.480 0.432 50 20 ICGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1 792362646 KYGNNXRXLGGZDV-UHFFFAOYSA-N 437.420 0.758 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCN1C(=O)c2ccccc2C1=O 792901467 UGHPYWPJPINXEI-UHFFFAOYSA-N 439.428 0.539 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794061735 KLPPOUOZRNKIIM-GOSISDBHSA-N 437.460 0.839 50 20 ICGD Cc1nc2ccc(Br)cn2c1C(=O)NNC(=O)CNC(=O)c1cccnc1 795181225 KMRFTSHXSLSZIB-UHFFFAOYSA-N 431.250 0.991 50 20 ICGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 797002760 TXXRTXAMISNSIW-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1Cl 798135612 MEAZMTBIRMFTPK-UHFFFAOYSA-N 440.865 0.675 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)ccc21 799259141 PFCAQWKGOJWBDS-UHFFFAOYSA-N 434.355 0.800 50 20 ICGD C[C@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 799666581 CZTVEQAZVCUCBK-AWEZNQCLSA-N 442.922 0.138 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 807369376 XTABEJLXFSGUSL-UHFFFAOYSA-N 443.522 0.566 50 20 ICGD Cn1ncc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1I 814714952 VXDWNSNJIIQIAT-NSHDSACASA-N 428.186 0.626 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 815595408 QKTYOYQKGDPZSS-UHFFFAOYSA-N 447.473 0.927 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914831185 QGVKOBIQXYKAHW-CMPLNLGQSA-N 429.882 0.145 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H](C)SC)N(S(C)(=O)=O)CC2 915292446 OONNWIQPFBQURG-FZMZJTMJSA-N 445.563 0.852 50 20 ICGD CCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 915903333 FHMHWIDVFIJRDZ-UHFFFAOYSA-N 425.559 0.128 50 20 ICGD Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919960735 FGMLALFBLUEVSF-SNVBAGLBSA-N 426.314 0.437 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1116895896 DYXZAXFXTPRVDL-UHFFFAOYSA-N 437.474 0.148 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cncn3-c3ccccc3)ccc21 1318683521 KKOXUEPIBJAALM-UHFFFAOYSA-N 446.467 0.972 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 1324990740 QENOBMZIUBFHKZ-UHFFFAOYSA-N 443.485 0.717 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1C 1780430943 TVOLONXXFYSUOD-YVEFUNNKSA-N 429.315 0.903 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781022672 BIVSUTATNUEQIB-IFXJQAMLSA-N 433.933 0.983 50 20 ICGD C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782867507 PFVUUYFVURTGGT-IGICKNSGSA-N 432.427 0.836 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1cccs1 1784378959 XNYUQVJMYWPLFG-SPLOXXLWSA-N 443.529 0.994 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1 1786129367 LMNRZLNBJHKAMM-INIZCTEOSA-N 443.953 0.451 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786401241 UYISTSPJLLGWEG-UBHSHLNASA-N 444.286 0.556 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1790964097 SOSPOMJHSFJOLM-PEDHHIEDSA-N 429.319 0.387 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293370 ZUAMPENQODNIKC-XSLAGTTESA-N 447.536 0.202 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792254085 MNDDCJUXSPDYOS-JONQDZQNSA-N 447.960 0.871 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Br)c1)C2)[C@H](O)CCl 1792980580 MBIUQYPYOFNBOY-GFQSEFKGSA-N 432.702 0.647 50 20 ICGD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1793379217 SEYYNZICYLMFJV-RDGPPVDQSA-N 429.326 0.169 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794313485 MUJNTZCDJZFFCW-OCVGTWLNSA-N 439.896 0.450 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1795111290 ATGFDPGIEZDLSE-IVWMJMPLSA-N 436.310 0.806 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1795111621 YUHMJZJKGJITIU-WDAIWFPHSA-N 427.255 0.163 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795684997 MDQRCKHJTGHRMV-IGRYJHFFSA-N 445.505 0.063 50 20 ICGD Cn1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn1 1796219440 VNWCEDFLXXZMPO-MUJYYYPQSA-N 425.493 0.303 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799152519 DNVWIIUOZSTJII-YDVRFCCISA-N 442.354 0.760 50 20 ICGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)nn1 1799348583 LEQQUCVAOMCXCE-LFSVMHDDSA-N 432.294 0.927 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1800077783 JLMCZEULIGNXEM-UMPJEAMMSA-N 440.393 0.591 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)c(O)c1)C2 1800979768 ZZZJOSVGWUYLNN-BASYENTBSA-N 439.896 0.808 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1800981480 NPLJKWISNWLMGF-CEGHFVKMSA-N 447.919 0.740 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1802026994 ZUMKYJDRFKIFMR-UKRFAEJPSA-N 445.944 0.595 50 20 ICGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1803140035 AQEJAMZUESQVQS-NQYYFHDYSA-N 437.972 0.323 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367549 SLQKVMVDNLOFEA-AYZHRIAMSA-N 449.341 0.956 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812888609 PSBZOHIFADNJBH-KMHBYZIFSA-N 449.316 0.649 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341253 UXICILVDADEOKJ-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)c1cccc(B(O)O)c1 1817476704 OGBHDLCRBCSMTM-SFHVURJKSA-N 435.249 0.343 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)O1 1818871994 GGZNBYOYLHQJHR-FSPWUOQZSA-N 426.282 0.963 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1820742530 XERHQNQQZWDRRW-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD Cc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724649 AHHPZIBRCYCTOI-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738769 SJIOGVQNXVMNOS-KHYOSLBOSA-N 443.953 0.618 50 20 ICGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833919325 JZJPOEXXMIHDAU-INIZCTEOSA-N 425.892 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccno3)CC2)CC1 1834184983 DIECRNKIQAOMEO-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835139624 RMXQXMVCLRPTRP-VQIMIIECSA-N 432.851 0.563 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1836073017 XRXAYRKINLZFQW-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412765 TVYMZPACPHKLMS-ZDUSSCGKSA-N 438.367 0.875 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)CCN1 1836414650 WFMFDYAZXFBWBB-BLLLJJGKSA-N 447.349 0.775 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717097 HRWQNJAXSYUOIC-OAHLLOKOSA-N 436.900 0.336 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836834340 LBOIMHNFNATRHC-IERDGZPVSA-N 448.907 0.954 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839143858 JPIQXUFYXVJZSU-VLIAUNLRSA-N 439.896 0.940 50 20 ICGD CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743557 YETHUVUMWOXUHG-ZXSWEOGUSA-N 433.411 0.917 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840037213 WQEYLKAXBWJREK-UGSOOPFHSA-N 442.310 0.448 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnccn2)C1)NC(=O)NCc1ccccc1 1842383636 GVFWFVHKEMLXFT-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2c1 1843014604 DSRZNTRHGNJTOO-UHFFFAOYSA-N 429.245 0.245 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnn2-c2ccccc2)C1 1843596663 VAVNPDMJGBNNMC-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846576567 IKBQYCMZJBXEAF-OAHLLOKOSA-N 425.319 0.759 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1C 725740206 RTGNGUSGQQCYLJ-UHFFFAOYSA-N 436.490 0.532 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCS(=O)(=O)C1 728177144 XCJFFOVNQRIUDK-CQSZACIVSA-N 449.620 0.958 50 20 ICGD C[C@@H](NC(=O)CCC(=O)NNC(=O)c1cnn[nH]1)C(=O)c1ccc(Br)cc1 732074532 RMDLCRIOTRAWBJ-SECBINFHSA-N 437.254 0.496 50 20 ICGD CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 732307543 JOBCNWOGEQMKAQ-ZDUSSCGKSA-N 445.563 0.235 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN2CCC(=O)NC2=O)nc2ccccc2c1=O 733362514 OUEQFKQYHQCRCY-UHFFFAOYSA-N 430.465 0.597 50 20 ICGD CN(CC(=O)NNC(=O)CCc1ccccc1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738528509 DVCDIILDLCELPJ-UHFFFAOYSA-N 436.446 0.701 50 20 ICGD O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)N1CCOCC1 745995971 GADDGAAIKCCCMJ-UHFFFAOYSA-N 425.511 0.492 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1ccon1 747596272 LVTIHPNHGVWRKB-UHFFFAOYSA-N 437.478 0.159 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1 752522705 CVRVKVLYEKMWID-UHFFFAOYSA-N 439.490 0.946 50 20 ICGD CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 754677267 YVGNYAUPPHOYAJ-HNNXBMFYSA-N 440.522 0.609 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)n1 763508418 JJDNIKKUTPCCIE-UHFFFAOYSA-N 447.473 0.280 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 763681873 NYTIUAOWAALQKO-UHFFFAOYSA-N 426.429 0.536 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 763802765 GTHJMQJFOUYHAR-HNNXBMFYSA-N 444.400 0.927 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1 763932856 WCORESKRLIKECI-UHFFFAOYSA-N 438.893 0.885 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O)S(C)(=O)=O 764277662 GGKUENHPIMCVNW-UHFFFAOYSA-N 434.474 0.507 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1 764334545 GYAZYTLBSNAVJC-MRXNPFEDSA-N 430.461 0.740 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1 767274282 YKLZKIJAZGKZGC-UHFFFAOYSA-N 425.507 0.290 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)c(F)c2)c1 768495013 CEGTVAXNJIKRKJ-UHFFFAOYSA-N 445.450 0.398 50 20 ICGD CC(C)[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCS1(=O)=O 772694735 QOWWSDCGBSRDJY-MRXNPFEDSA-N 430.552 0.631 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1 773499107 JAZXTOFRSQFHFX-CYBMUJFWSA-N 441.423 0.972 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 773653604 CPTQXZVSNSYROR-CHWSQXEVSA-N 445.436 0.509 50 20 ICGD CN(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202793 XCHBWZVISUXLDD-UHFFFAOYSA-N 444.492 0.924 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)nc1 777758724 OGAZOQXQMJKPBI-CQSZACIVSA-N 443.526 0.660 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 779470230 YQOMYWVBSBMIOV-CYBMUJFWSA-N 437.478 0.536 50 20 ICGD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 780327115 XGHHGMJVTBAVEK-WMZOPIPTSA-N 445.497 0.836 50 20 ICGD CN1CCN(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)CC1=O 780531402 ACNQFXXYMUFGBA-NRFANRHFSA-N 435.528 0.535 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCOC1 780862434 MOTVKXORUWOQAU-HOCLYGCPSA-N 440.522 0.467 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)c2)CC1 782120953 IQSVBWMYJZSQAY-UHFFFAOYSA-N 427.436 0.894 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 782966043 KZTHVTWBEIEUFX-UHFFFAOYSA-N 440.412 0.359 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@@H]2c2ccccc2F)cc1OC 784511462 CWVMSNOFHGNCAK-IBGZPJMESA-N 430.436 0.777 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccnc(Br)c2)c2ccccc2O1 784828994 USVJHZDGSDABMI-CYBMUJFWSA-N 434.250 0.827 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1C[C@H]1C)N(S(C)(=O)=O)CC2 786253825 OOJDKXYVKBVEPL-KYOSRNDESA-N 425.507 0.756 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1nn(-c2ccccc2)cc1O 789852829 VENDVQCUUWMQOG-UHFFFAOYSA-N 433.421 0.457 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(=O)O 790391398 YRKQTVWWRWVAKO-UHFFFAOYSA-N 447.878 0.848 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2cccc(C)n2)c1 793219868 HRVOMYPJWWSDTI-GFCCVEGCSA-N 434.478 0.269 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2)NC(=O)NC1=O 794074598 GMNXARZPJNAEIG-NRFANRHFSA-N 439.428 0.429 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c(C)c1OC 796991832 JULMHQBDWQHQBR-INIZCTEOSA-N 445.428 0.947 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 797001107 FGHAOBUNJBTHLR-QGZVFWFLSA-N 425.445 0.942 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 802032784 YANQNWBNBHQEAR-UHFFFAOYSA-N 428.474 0.517 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1 806745411 HZNMAHKAXJVHNN-GFCCVEGCSA-N 432.437 0.493 50 20 ICGD NS(=O)(=O)c1cc(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1F 807953055 NYNFITGJJAPAHX-UHFFFAOYSA-N 434.858 0.538 50 20 ICGD N#Cc1ccc(O[C@H]2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)nc1 814271019 UJLXDUFCGYPCKP-AWEZNQCLSA-N 443.489 0.754 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 815692314 OHMRPLYCZPKMHY-SECBINFHSA-N 444.345 0.707 50 20 ICGD CNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 819681558 YXAQOOYUDAECKB-TVNWYLLRSA-N 435.550 0.799 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCSc3ccc(F)cc3)cnc2n(C)c1=O 862086673 HLXKHFPCHOTWTP-UHFFFAOYSA-N 431.449 0.715 50 20 ICGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 914752078 HOOCKFAVBIUYTC-UHFFFAOYSA-N 447.452 0.563 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccccc2SCC(N)=O)c2ccccc2c1=O 915931964 QIEKKVDDMVMPBS-UHFFFAOYSA-N 426.458 0.977 50 20 ICGD O=C(NCCNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916259898 UNLVPGIAMRJBNJ-UHFFFAOYSA-N 449.489 0.438 50 20 ICGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885284 KTIICNYUEKPTHK-PBHICJAKSA-N 449.533 0.369 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)o1 1116158470 FPRURBJQJJAQCH-UHFFFAOYSA-N 429.476 0.461 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)C[C@H](C)O1 1318501471 ATAHUXSKMARYJG-ROUUACIJSA-N 438.569 0.833 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccc4[nH]3)CCO2)C1 1779030687 UETOHCCIOGQRFZ-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@](C)(Cl)CCl)CCO4)CC2)CC1 1781107816 AZCKEBORCPMXFF-RTBURBONSA-N 447.407 0.833 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331349 OXUXVVIEGFKBJC-VBQJREDUSA-N 429.290 0.472 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782178680 OWQNSJIHSSPKHB-KSSFIOAISA-N 437.840 0.514 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1783533026 KXSSLQPZGLZIDE-QIEWPSKMSA-N 442.354 0.998 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783545816 LRYRHEZAKOHKTN-QDGJQWLKSA-N 447.919 0.980 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932771 DZTCCKQJTWQOBT-NRFANRHFSA-N 433.509 0.297 50 20 ICGD CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1783933783 YDXATYPCFZCCRN-UWJYYQICSA-N 425.574 0.310 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783992491 UTFMINKEZLQWRS-VGSWGCGISA-N 447.536 0.197 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)NCc1ccccc1 1784084194 NNWCUZWIRCGAKP-VNLAQXSGSA-N 449.935 0.438 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@H](O)CCl 1784091925 DJXDMISMIUPYBU-NDMCHQMPSA-N 433.288 0.944 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccc1 1786982230 SILQYNJTNIZHKF-PWZKMPOXSA-N 436.317 0.763 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1cccs1 1786983818 UCFAGSGCRXHBAM-XIVBQZFQSA-N 442.346 0.825 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1787393560 OZDDQDUQLDSHJM-PEDHHIEDSA-N 437.896 0.386 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(C)(C)C)C[C@@H]21 1787506847 QLJRVYVTKCSNMM-SMKMMKTPSA-N 447.536 0.915 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 1788610565 GXLDSTKHVGBRKZ-ZLIFDBKOSA-N 429.502 0.654 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788816310 PIQCRJHTFHFOBH-ZQCZZBHPSA-N 434.222 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)cn1 1788862968 VUVVRXQXIXQYDE-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc2ccc(F)cn2n1 1790526788 DEFMPSCMQAENAZ-DEQVHRJGSA-N 425.848 0.061 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 1791254523 WBTHMRVBWFJXPQ-AYDFFVQHSA-N 427.933 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(N(C)C)c3)C[C@@H]21 1791288778 UFEKHVDVTYYUKD-SNRMKQJTSA-N 446.552 0.114 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C 1792988460 CGBXWOIXPKVTAV-QMHWVQJVSA-N 447.960 0.991 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1793102268 KMMQSRLZSULMNE-SIZVQLJJSA-N 428.294 0.208 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115677 SNAFAIKIKSNUHW-XJFOESAGSA-N 426.926 0.129 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)C1 1796369752 CPYAXEVXVDFZSX-KHMAMNHCSA-N 449.907 0.746 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799143374 QPFKOIGIIORPHX-UPIKPMQBSA-N 446.454 0.184 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)cn1 1805654184 XMSDFCZFFHFWEG-BEFAXECRSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361308 HVZKWUYNUHCPJG-UWJYYQICSA-N 448.263 0.929 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361747 CYWUOYKRLOORNO-APWZRJJASA-N 449.276 0.273 50 20 ICGD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808653317 KWPXVLJATYPMMC-QAPCUYQASA-N 445.549 0.934 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1810542420 YMMUIKGNHTYSAU-JTDSTZFVSA-N 435.601 0.532 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812352674 CXILGCYRBOKEGE-ZRGWGRIASA-N 449.895 0.916 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812717119 MBVRQKNGQZAUGI-JENIJYKNSA-N 426.945 0.391 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncc(O)c1 1812909226 WIKDVXDUMGXMDQ-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810295 NZAUAMZVAGPLNN-HLTSFMKQSA-N 432.344 0.431 50 20 ICGD COCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815350002 CKQRVGRAPKDKLB-CQSZACIVSA-N 429.307 0.475 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819401721 PLJOKIAADMGXQI-KBPBESRZSA-N 435.872 0.314 50 20 ICGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](Cl)COC)CC2 1819811319 RCBFGDGFWODYNV-VHSXEESVSA-N 433.987 0.793 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1 1820306446 IMDQOUIHSLIPKL-GOSISDBHSA-N 432.249 0.909 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830533654 RDBNCIIQBVDHJU-XUJVJEKNSA-N 427.723 0.074 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677198 UJGXROMHCYWEQJ-HXUWFJFHSA-N 437.569 0.768 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832953129 TZOOTOBFSRFTLZ-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)C1 1833306256 OQANJZGSYKSWJA-RKVPGOIHSA-N 443.972 0.747 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccns3)CC2)CC1)c1ccc(B(O)O)cc1 1834797484 NNECWQNHSKWZKO-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1834823489 XBRZDHICWJPHGS-KRWDZBQOSA-N 428.283 0.175 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)CC1 1835809860 IWRQBVKKGQBIIE-QAPCUYQASA-N 440.976 0.740 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1835988276 MIVSCISUJFHBJH-DOTOQJQBSA-N 447.305 0.500 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837712181 HLQGZYUYEBTZSU-OVKVCFKUSA-N 428.558 0.414 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155316 QUZQRMJRUXFPOA-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD O=C(c1ccncc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201073 VKYFPOJCNNJZBI-CZUORRHYSA-N 432.246 0.548 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839215867 PVBPUNNYLKMPNK-SUNYJGFJSA-N 446.342 0.237 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1839965689 HSFNDFNFMPEWFB-DEYYWGMASA-N 446.342 0.237 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3cc(O)ccc3n2)C1 1843665702 KFYXQQJTBJMQAJ-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)C1 1844080765 JVFPPVBBLWVGCY-UHFFFAOYSA-N 429.477 0.208 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 1847760787 LNQJNZPTUIHBQX-UFYCRDLUSA-N 448.483 0.694 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccc2sccc2c1=O 1848183474 RNCXODCPVNYHHA-HOTGVXAUSA-N 445.545 0.638 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2ccccc2c1=O 16231250 CYASKMDNDWXLGD-UHFFFAOYSA-N 443.485 0.100 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)c1cnccn1 22959309 OLIIANDGUZVFBS-UHFFFAOYSA-N 441.256 0.953 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CNc3ccccc3)cc2S1(=O)=O 729513487 TUTBJEQIPVCTCF-UHFFFAOYSA-N 432.458 0.351 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1S(N)(=O)=O 730841818 PBAMAKXIAUBTJN-UHFFFAOYSA-N 445.545 0.616 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNc2nc3ccccc3c(=O)n2C)c1 733263290 UJHUUOHCWGYRBJ-UHFFFAOYSA-N 445.501 0.924 50 20 ICGD COc1cc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1O 734215580 KNFIAOJNBQULFY-UHFFFAOYSA-N 436.490 0.838 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)o1 734239509 FCIIMTFHBRBEFA-UHFFFAOYSA-N 447.514 0.825 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cn2C)cc1C 736750937 KHFFHDDFADAIKA-UHFFFAOYSA-N 428.492 0.223 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1OC 741646991 MWLFTLBQMMSXEE-UHFFFAOYSA-N 429.476 0.365 50 20 ICGD CCc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1 741740786 GVJCRGSFLXLAJO-UHFFFAOYSA-N 438.531 0.686 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 742772340 ZCWIJOWKZHHHCK-CQSZACIVSA-N 439.310 0.391 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 745684724 OXNSSZZWJMTETB-GFCCVEGCSA-N 429.462 0.599 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCC1 748247271 WSVCUSJWDAIDGR-UHFFFAOYSA-N 442.925 0.898 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 748716714 STLODWXVFZDCSM-SNVBAGLBSA-N 429.842 0.857 50 20 ICGD CC(C)COC(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 749708876 WRPVKWXJGMJUJC-UHFFFAOYSA-N 440.526 0.744 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1S(N)(=O)=O 751051542 NGFPKFRTVRSZCN-UHFFFAOYSA-N 445.545 0.616 50 20 ICGD C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758036360 QSIVZQDNMSFYGW-NWDGAFQWSA-N 427.483 0.530 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 758056781 SVDIBBZMRICGNA-WMLDXEAASA-N 432.502 0.113 50 20 ICGD O=C(NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 759202559 SANUFTWIWDTYSY-HNNXBMFYSA-N 444.941 0.871 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1N1CCOCC1 763569713 AWLSJERJNGRRJW-IBGZPJMESA-N 440.456 0.758 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 763630511 MWCASCIUDIENBF-UHFFFAOYSA-N 427.461 0.700 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cc1 763674269 ODRRKFHZFXVOQO-UHFFFAOYSA-N 445.435 0.933 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)ccc1N1C(=O)CCC1=O 763679345 LHPOQGWETGSHRW-UHFFFAOYSA-N 442.403 0.952 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 763860509 IBCKWFXXKYCIGU-LLVKDONJSA-N 432.408 0.877 50 20 ICGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OCCC 763995829 ACOTXHPNWAOZGB-ZDUSSCGKSA-N 441.506 0.785 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 763997388 KOARYZWOETUJCZ-OAHLLOKOSA-N 446.485 0.224 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764004099 QXAQSWRWMPGQHT-UHFFFAOYSA-N 448.457 0.619 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(C)(=O)=O 764005724 FXAUZJAJRNFNAW-UHFFFAOYSA-N 433.442 0.569 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)c2cnccn2)CC1 764025028 PXLIXIRKJVOXCT-UHFFFAOYSA-N 431.884 0.672 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1C 764126669 ODBPWDMJVBIDDK-UHFFFAOYSA-N 440.865 0.710 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 764237647 LHBOMXYIRBUCQR-UHFFFAOYSA-N 433.424 0.997 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)ccc1C 764271248 ZGWZYHODSBRDDA-UHFFFAOYSA-N 447.517 0.749 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 764397632 AUAHYNUFUNLSPN-CYBMUJFWSA-N 434.424 0.173 50 20 ICGD CCOC1CC(CNC(=O)NNc2ccccc2S(C)(=O)=O)(N2CCOCC2)C1 767897210 YGZGEOZBZJRCRW-UHFFFAOYSA-N 426.539 0.986 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)Nc2ccccn2)cc1 768585061 AYXCHLPIDREPSQ-UHFFFAOYSA-N 436.519 0.678 50 20 ICGD CSCCNC(=S)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 769768613 FHJZUUZLGOIQJK-UHFFFAOYSA-N 448.592 0.375 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1Cl 772192713 PCRQYDXIPHLHIO-UHFFFAOYSA-N 445.284 0.718 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 773414124 JOYJPAWWWXZAJN-HNNXBMFYSA-N 440.522 0.883 50 20 ICGD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1CC(F)(F)F 777833266 WDGMWJTZZVMBHK-SECBINFHSA-N 436.250 0.224 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc2c(c1)OCO2 777940774 RUOVZTDGJZVWNE-UHFFFAOYSA-N 446.485 0.183 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)nc2ccccc21 782884598 FXIKRVDLUQSLMI-UHFFFAOYSA-N 434.456 0.794 50 20 ICGD COCCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl 783998565 BRIAFGDSDDBNSE-UHFFFAOYSA-N 447.275 0.727 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc(OC)c1OC 784290552 QFISCSXXCKCROP-HOTGVXAUSA-N 447.488 0.915 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 794584241 JZXFXBYTJOPYPL-UHFFFAOYSA-N 437.402 0.015 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)n1 797626429 XSEOVSFXVWSQQG-UHFFFAOYSA-N 433.494 0.333 50 20 ICGD COc1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1-n1cnnn1 797629221 PXBFDCCUUNPNPQ-UHFFFAOYSA-N 440.420 0.750 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc2[nH]ccc12 808935314 RQPPTFTYLILALC-UHFFFAOYSA-N 426.385 0.825 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1 813033653 DTPXRVMIEJZHSI-UHFFFAOYSA-N 449.489 0.273 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 815751661 IVHLJXZVDRZOLL-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 817213940 ODSRNISLTMABPR-LSDHHAIUSA-N 426.451 0.464 50 20 ICGD COc1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1O 919756014 OFEUZJUMZKLGED-UHFFFAOYSA-N 435.458 0.733 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 1324810521 RCZQCPDLZWTTOI-QGZVFWFLSA-N 444.521 0.668 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1330445279 ORLYJDPCAIENNO-UHFFFAOYSA-N 447.558 0.388 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(O)n1 1337322763 VDYRTBGLBODMIR-UHFFFAOYSA-N 448.501 0.510 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)cn1 1778205176 PVHHSDPHZZBLMS-RZQQEMMASA-N 439.896 0.595 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780770405 MCXRGDFBAJWVLU-UXIGCNINSA-N 443.335 0.626 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781569996 WVRJOAOPIWTGLG-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1783933606 AYTRRBWLZRSHRE-VGOFRKELSA-N 429.521 0.399 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1783936504 OPEFLHONMFKBGR-FQEVSTJZSA-N 439.463 0.836 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nc1C 1785772496 WWJGZOLBZFKTPN-LNLFQRSKSA-N 431.537 0.665 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cccc1C=O 1786994944 ORUTYEAXFFHWSE-NEPXVJNWSA-N 447.536 0.214 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937123 IIIBEGVRNGVOTN-KKUMJFAQSA-N 432.557 0.569 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1790553579 OTFSIDQAGJSAEO-IBGZPJMESA-N 435.289 0.735 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21)n1ccnn1 1790638494 GCBUSJACOVPVGD-YTFOTSKYSA-N 428.331 0.850 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796422502 JHRUSWLHOJVDGE-XQZGEAEESA-N 430.958 0.786 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1c(O)cc(O)cc1O 1799659489 KEIUTKQQDQDRJL-NVIQENEESA-N 433.230 0.697 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1800641889 LSWLAHFAHIDSSZ-GFQSEFKGSA-N 435.388 0.234 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779771 MOKGEPMGZCPHAJ-WIYYLYMNSA-N 446.272 0.028 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363569 AHUCPKZBFPUZRA-DLVCFXQMSA-N 437.305 0.696 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cccnn2)[C@H]1c1cccnc1 1810723664 MTBNFONLOAXUDX-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)co1 1815354683 AOCSAVZAFRACTG-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815489388 PJBUHAYXNXXRSY-ROUUACIJSA-N 425.298 0.490 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1815596717 GFWHODBSRSDLBK-LLVKDONJSA-N 441.286 0.739 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1817281768 OTXUCCMAWRBSDQ-ZFILKEQLSA-N 448.505 0.198 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401785 ADRWZVBTMWOPGQ-OAHLLOKOSA-N 443.464 0.667 50 20 ICGD Cc1nn[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797128 MQJRCGIKMYITNA-SECBINFHSA-N 441.477 0.108 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@H](F)Br 1820930457 FYKUHWSPOKIHJD-ZANVPECISA-N 445.249 0.644 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825928538 OZOADNNYSFXHAQ-ABAIWWIYSA-N 429.307 0.664 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1829765232 NPHUGFDFDVRNGU-DDKKJVIOSA-N 444.326 0.086 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725779 RTVLATRPXLEFSV-BEFAXECRSA-N 428.917 0.308 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C(F)F)n1 1830731833 NXZCRBQFQQPUHQ-DYVFJYSZSA-N 436.843 0.256 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832293344 NEYCZLBGYPNCFM-GDBMZVCRSA-N 438.294 0.002 50 20 ICGD CCn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cc1C 1833311705 AQWWPEOMEXMGLF-SFHVURJKSA-N 425.961 0.996 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1)[C@H](O)CCl 1833312967 NVYAQDBLBOODNX-CQSZACIVSA-N 430.962 0.068 50 20 ICGD CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1C(=O)O 1833606408 HOKWVUVWCLXQCG-RDTXWAMCSA-N 446.863 0.767 50 20 ICGD Cc1ccn(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1833854959 KYVTYOYSASKJRW-UHFFFAOYSA-N 447.584 0.136 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870010 ZIRJIAZDHFWTKR-FOIQADDNSA-N 425.913 0.863 50 20 ICGD COCC(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1834476152 OJDXFPQKABFZLX-BUVRLJJBSA-N 432.525 0.338 50 20 ICGD O=C(CSc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835087258 JXTAWYNJOFZRRG-VQIMIIECSA-N 428.938 0.835 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835978222 ZLRJFOCTXHRBKC-JXFKEZNVSA-N 437.880 0.426 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836904273 WCRMRHITCZTGEU-RISCZKNCSA-N 432.315 0.877 50 20 ICGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)co1 1837479416 LHAUNJITNMGSFW-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n[nH]1 1837588890 GXUCPCCZHUNESV-MSOLQXFVSA-N 433.336 0.953 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311160 OQBLDNOPUBRAJO-CXAGYDPISA-N 435.308 0.397 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839143222 PMIMQNIPAKECFD-KPZWWZAWSA-N 426.857 0.262 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc(O)n1 1839199883 YPORLHHQMREMFT-RHSMWYFYSA-N 446.273 0.856 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840037349 YMJPDVJHEBPCJI-WOSRLPQWSA-N 430.303 0.079 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466511 LIQQMIHWVVSVAI-CXAGYDPISA-N 429.315 0.202 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841388197 MVLDXHWZVXCNIA-AZUAARDMSA-N 449.511 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443883 CCELQNOIEITWCH-DUXPYHPUSA-N 440.416 0.717 50 20 ICGD COc1cc(C)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1OC 1843012292 ZVHOWMFPEJLXSJ-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n(-c2ccccc2)n1 1843437061 JXCOTRNDJGITOH-UHFFFAOYSA-N 444.300 0.991 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cn3cc(Cl)ccc3n2)C1 1843659319 HPKOPGITYRYNIB-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nnc(-c3ccccc3)o1)C2 1844264411 PPYYMEYHAQXFMB-UHFFFAOYSA-N 447.455 0.866 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844668924 QHIJDNQBCLOOCF-UHFFFAOYSA-N 447.260 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847049447 PAUCMVMNHADDFZ-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 26534632 ZHTLMNAPLDDQRS-ZDUSSCGKSA-N 439.465 0.979 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 728204473 PVYRMKUHVMZEMJ-UHFFFAOYSA-N 448.281 0.460 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NN(c2ccccc2)C1=O 728890127 XCQDWJKKFCRRAY-CQSZACIVSA-N 436.476 0.179 50 20 ICGD Cc1cccn2cc(COc3ccccc3C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc12 729275807 RQXSFLFZJBELGN-CQSZACIVSA-N 445.501 0.920 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 729506941 LAEYVSQXXGBBQF-QGZVFWFLSA-N 444.536 0.541 50 20 ICGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)COc1ccccc1O 730835595 IYNPCBIMXHOANZ-QFIPXVFZSA-N 438.440 0.917 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1OC 731595490 WATPBRPKHFBXEI-UHFFFAOYSA-N 433.442 0.991 50 20 ICGD CN1CCN(CCCCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 737064357 FQDBOBQIZZMDAB-UHFFFAOYSA-N 445.612 0.557 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC 740852565 CNFRNWDFSGABNE-UHFFFAOYSA-N 430.465 0.460 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 740852661 HHPOPBHKNDQLRY-UHFFFAOYSA-N 441.329 0.224 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)[C@@H]1CCOC1)c(=O)n2Cc1ccccc1 741756973 UGMXBMUAGYIOJP-QGZVFWFLSA-N 438.488 0.957 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 744383999 GLTATBDFORGCDB-UHFFFAOYSA-N 445.476 0.465 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)C(=O)N2CCCC2)c1 748151685 KJGMPVYSMLFDJY-UHFFFAOYSA-N 441.579 0.966 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1 748246674 NULOJYGDYOXAOS-CQSZACIVSA-N 426.926 0.961 50 20 ICGD N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 750046658 GIVKYPDOUGDBNL-UHGYQZEGSA-N 433.490 0.380 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1C 751198305 CXXAHNSMZAQTAS-UHFFFAOYSA-N 425.239 0.555 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)c1cccs1)C(=O)c1ccc(Br)o1 751206196 GQJZPNUMSIZFSK-UHFFFAOYSA-N 443.279 0.753 50 20 ICGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1 752949684 AQECAKDYAXYVCW-OAHLLOKOSA-N 429.481 0.828 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(S(N)(=O)=O)s2)cc1OC 754178920 BNOKVNPMSRHGHC-UHFFFAOYSA-N 429.476 0.886 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(c2c(F)cccc2F)C1=O 755088413 XYXWLUYBXVEWGL-HNNXBMFYSA-N 442.386 0.690 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 755431986 FXYBHAXKVYLQRU-ZBLDBLJQSA-N 439.472 0.295 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836408 VCBSXDPOTDHDBR-ZDUSSCGKSA-N 434.428 0.501 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2cccnc2)C1=O 757630961 XJJFNWVRFOWUNR-UHFFFAOYSA-N 425.405 0.041 50 20 ICGD COc1c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cccc1C(N)=O 757995386 XXMMNJZYJYYSFU-UHFFFAOYSA-N 435.462 0.511 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 757995678 VMIXDOQTCGVZGB-ZDUSSCGKSA-N 441.435 0.851 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 758675350 GTTGQOBGIGRDGM-JRPNMDOOSA-N 446.888 0.516 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)c2ccccc2c1=O 759379289 SGUMOTXAYSSDBZ-UHFFFAOYSA-N 425.449 0.680 50 20 ICGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 760512475 SANNZZACYUOYML-SECBINFHSA-N 442.313 0.137 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1ccc2nnc(O)n2c1 763018620 DZVYBPGFXDNQNB-UHFFFAOYSA-N 443.895 0.667 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)CCO1 763681063 ISRLFJJQPWKBAD-OAHLLOKOSA-N 437.456 0.948 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)cc1 763681094 KGDXDDTVKUTHQS-UHFFFAOYSA-N 441.469 0.691 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1C 763681316 WWPDKMCZMUQHLK-UHFFFAOYSA-N 441.488 0.968 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)cc1 763861482 PWWLGCABYLAERX-NSHDSACASA-N 432.408 0.877 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 763873662 XDVRHRKXDZRVKN-GFCCVEGCSA-N 440.412 0.774 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 764139250 QDTDEUGVCSEBKF-UHFFFAOYSA-N 434.474 0.073 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccoc3)c2)CC1 764159111 RUHFJRPTKZVYOY-UHFFFAOYSA-N 449.489 0.006 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cc2)CC1 764178805 KFRDKCPQZBEMGM-UHFFFAOYSA-N 429.521 0.669 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)ccc1S(=O)(=O)N(C)C 764185208 JKMOSZADTHFNLY-UHFFFAOYSA-N 448.501 0.664 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2ccccc2C)C1 764225754 QOHHCAFIIWGVBU-GOSISDBHSA-N 432.521 0.418 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)n2)c1 764230299 HACOTWWGRQJKFZ-UHFFFAOYSA-N 436.222 0.351 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1S(N)(=O)=O 764302013 HZYRNXXSYMDQRK-UHFFFAOYSA-N 432.502 0.960 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 768247987 RRLGRZKIYWEJAP-UHFFFAOYSA-N 435.458 0.791 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782896508 JPEBLOPZOPUZPF-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)nc1 783264358 NJMJUWOUHMIYRE-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(Br)c(F)c1 784003011 ZHMKYSRLXHWJSK-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)c1 784680835 UYSSUGBHCAKPQE-UHFFFAOYSA-N 439.471 0.233 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 786414402 NYQPQWMZWXTJJO-LBPRGKRZSA-N 445.432 0.353 50 20 ICGD N#CCCCN1C(=O)CCc2cc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc21 787478926 PBVPEJXXRBCIEB-AWEZNQCLSA-N 433.490 0.857 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cccc1N1CCNC1=O 787550614 WMRKSVWJHQIHPY-UHFFFAOYSA-N 425.445 0.827 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1Cc1ccc(C(F)(F)F)cc1 787885940 IAPKUQCMDCFXLE-SECBINFHSA-N 448.427 0.352 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccccc1 793024443 DZSFJDQJHKNNRD-KRWDZBQOSA-N 439.472 0.524 50 20 ICGD Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 793349986 BQNDHPHBTZMUFM-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD Cc1nnc(COCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 794774032 BMYMLFQPNWCWBY-UHFFFAOYSA-N 439.519 0.609 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1 803435593 GBYWIMJCBPBZEG-LLVKDONJSA-N 429.458 0.437 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3ccccc3c(=O)o2)CC1 806873769 ZLXFYJUNMBOGGX-UHFFFAOYSA-N 443.485 0.881 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(C(=O)OC)c1 815564853 VLTHVSMINCSUKX-KRWDZBQOSA-N 443.412 0.546 50 20 ICGD Cn1cc(C=NNC(=O)Cc2nn3c(C4CCCCC4)nnc3s2)c(=O)n(C)c1=O 839398125 OUMFEGRFRRPAHA-UHFFFAOYSA-N 430.494 0.324 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 912924583 ACSOPHIXKMBFGJ-WCEBEWAISA-N 438.550 0.614 50 20 ICGD CCOc1cc(C#N)cc(Br)c1OCC(=O)NNC(=O)CN1CCCC1=O 915259795 ZNRMPENPOLIGKC-UHFFFAOYSA-N 439.266 0.868 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc2c(=O)n3c(nc2c1)CCC3 916128483 GOGXKOMESHDSFB-UHFFFAOYSA-N 433.472 0.810 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919883367 CLUBFJUBDXHKKN-HIFRSBDPSA-N 442.925 0.710 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 920370594 KGRAJCXPHUTWPB-ZDUSSCGKSA-N 429.520 0.387 50 20 ICGD CN1CCN(Cc2cccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)c2)CC1 1115972840 KVNLLQWRJQUWHB-UHFFFAOYSA-N 428.493 0.287 50 20 ICGD C[C@H](Sc1ncccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 1322301957 CICOMVLAOYWYAM-STQMWFEESA-N 440.547 0.380 50 20 ICGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1322444654 SGZRUHXSTCHCIX-CYBMUJFWSA-N 427.504 0.181 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1 1779894478 CMBAHGWFGLSZCL-PXAZEXFGSA-N 427.299 0.960 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783353875 RATPTMVLFRJULS-GPMSIDNRSA-N 445.402 0.626 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783382912 MYGDCPYJOVRICS-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783541929 FRJRSORREZRMJK-IWMXFIMRSA-N 433.892 0.326 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1C 1785769596 JURRANRKSYNRRJ-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C)[C@H]2C1 1786717237 VKBCTEWARCETML-VYOPWZLOSA-N 432.525 0.052 50 20 ICGD CC(C)c1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)co1 1786984623 SBZXMDCDUQVZPS-IEZWGBDMSA-N 441.293 0.385 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccc1 1786986817 JYABDEYUCOPCQM-XEHJXZTKSA-N 436.317 0.763 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)n[nH]1 1789922361 LDILYNKPAFRYGA-NUZBWSBOSA-N 431.262 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)C[C@@H]21 1791291095 LWRRXAMMMDSOAM-IHPCNDPISA-N 444.532 0.683 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nc1 1792364919 YDDOIBBXBWJRTC-FVCICTRLSA-N 444.879 0.251 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CCCC2 1796628606 AFOGCZQYXLBMII-BTTYYORXSA-N 437.504 0.853 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CO[Si](C)(C)C 1798629859 UYPGDVBUPQSEMV-BZZMCLGOSA-N 435.601 0.947 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1csnn1 1803748770 OLWAJXUNSWQFNT-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804094643 KEVMKFQYVQHVME-BXUZGUMPSA-N 428.276 0.443 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1806342725 CJTABNJGKSQMMS-AESZEHBQSA-N 425.327 0.595 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364027 RVWPIRMQBPCQCO-NQIIRXRSSA-N 448.263 0.929 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807583916 BSYKHXWXRSUUHL-HDMKZQKVSA-N 434.880 0.710 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1808765383 ZXTOWKTTXMUQJM-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD NC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)c1ccccc1 1809976594 JEXJHYCRDPDWAI-QFIPXVFZSA-N 449.360 0.954 50 20 ICGD O=C(CC[C@@H]1CCOC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347528 BYHBAWVUPKHUQK-CZUORRHYSA-N 443.334 0.865 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnc1 1817469732 DDFDXEUBYDADEC-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)c1cccc(B(O)O)c1 1817474382 QSIWSGZEMQCJGZ-KRWDZBQOSA-N 434.265 0.428 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402685 GYRFVXOWZNAGEJ-AWEZNQCLSA-N 438.452 0.454 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824188160 ZXBWXHWTOSMXDU-KSZLIROESA-N 446.928 0.701 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724713 AYPPCWRTLGQYFL-KBXCAEBGSA-N 432.304 0.334 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733834 UYTUUMDZPITRMC-JXFKEZNVSA-N 429.945 0.061 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736665 VWHDQYANCSXECY-MDYRTPRTSA-N 425.913 0.316 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830756881 LWFBXWCNWFLXBS-YLJYHZDGSA-N 427.618 0.779 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306493 UDSIWBFVPSBOSR-KRWDZBQOSA-N 425.961 0.822 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(Cl)nc3)CC2)CC1)[C@@H](O)CCl 1833307260 QKBACMOBZINTDN-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C34CC(F)(C3)C4)CC2)CC1 1833517928 VRUFDLMCZCYGKF-UHFFFAOYSA-N 437.560 0.823 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834525137 SZDMJWSTYMYWQI-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD O=C(O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826363 MRNLPCVXWFQQBG-HNNXBMFYSA-N 439.328 0.046 50 20 ICGD O=C(c1cnccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836318146 XAETVFYPYRZDCO-CZUORRHYSA-N 434.237 0.981 50 20 ICGD O=C(c1cnc2ncccn12)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717098 HWNMEZFHJUFUFY-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711653 MOUYDVCNAZPYKY-KXBFYZLASA-N 429.590 0.161 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CC(C)(C)O)CC2)CC1 1837774497 IPMVPQCIPNHTKQ-UHFFFAOYSA-N 426.558 0.519 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839176435 OQPCLGRJPPTWJU-KXBFYZLASA-N 432.901 0.206 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839253769 BUOHQKGAFQXBPX-XLIONFOSSA-N 426.897 0.673 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839964757 BSKVWRONPCCVDA-CXAGYDPISA-N 427.299 0.720 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1839966194 XHFFIAFZMJZVHU-RHSMWYFYSA-N 429.315 0.962 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840034089 ZZYPMBFJLQICEA-SCLBCKFNSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1840150514 NBXBNNQRPOCEBI-QRWLVFNGSA-N 442.944 0.962 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354713 QLJPFVMQMMYBLA-QWHCGFSZSA-N 447.916 0.246 50 20 ICGD O=C(c1ccc(C(F)(F)F)nc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013461 KSBPHDLTOXOZLU-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843078093 YHZDXWPLCLFOFY-ZVHZXABRSA-N 440.460 0.347 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccnnc1)C2)NC(=O)NCc1ccccc1 1845038501 JRFTXCQLHKHMKY-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 28778788 WBOFXDVFKKLTFE-UHFFFAOYSA-N 447.516 0.408 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725740865 IOADEBNGHCSTJT-UHFFFAOYSA-N 428.467 0.329 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725902731 SWEKQKCHTSNMJJ-UHFFFAOYSA-N 446.514 0.881 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCCCN1CCN(c2ncccn2)CC1 729233658 UYDKRHREGKKHBF-UHFFFAOYSA-N 441.536 0.961 50 20 ICGD O=C(NCc1cccc(CO)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729621064 BSGTZSLHCBKZKS-UHFFFAOYSA-N 448.501 0.344 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCc2nnnn2-c2ccccc2)nc1 730672802 NLWQLHFJLGISFK-UHFFFAOYSA-N 445.509 0.914 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nn1-c1ccccc1 731891386 MPYQCQPQBBHBTD-UHFFFAOYSA-N 441.473 0.339 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732467863 YAPAXVGQJPWQEY-JPWUFHEYSA-N 431.449 0.709 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 733003897 RRWOWRNNPDJGIR-CYBMUJFWSA-N 441.897 0.336 50 20 ICGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 734241550 QCTRBCUVABIKCW-AGIUHOORSA-N 425.486 0.405 50 20 ICGD C[C@H]1CC[C@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 735867505 DBQBKFPXMPJNKZ-IRXDYDNUSA-N 432.525 0.846 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CS(=O)(=O)c1cccc(Br)c1 740852098 KJRWPAUROSPMSP-UHFFFAOYSA-N 434.312 0.675 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 744583171 PASFFOSJJRNREK-UHFFFAOYSA-N 435.396 0.228 50 20 ICGD Cc1nnnn1-c1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 745102556 CZWBIYQGTCLNTL-UHFFFAOYSA-N 429.824 0.824 50 20 ICGD Cc1cccnc1CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(F)(F)F 746368488 FGCWSJJSTPHOSC-UHFFFAOYSA-N 430.412 0.552 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OCCCC#N 747356815 GXCKACKLXPQFFZ-UHFFFAOYSA-N 446.489 0.413 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1=O 747787870 YXXPFUZBQDIEFR-FQEVSTJZSA-N 447.495 0.322 50 20 ICGD O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)NNC(=O)C(=O)N1CCCC1 748246918 HCTAPBUEAMKLJI-UHFFFAOYSA-N 435.531 0.889 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751211028 ALRZVFSNSTZDIA-UHFFFAOYSA-N 425.488 0.359 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752689609 UIXCYLWSUQSCLG-VIFPVBQESA-N 428.920 0.062 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 757995676 VMIXDOQTCGVZGB-CYBMUJFWSA-N 441.435 0.851 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)n1nnnc1C(C)(C)C 758359630 DETRPCGLGPRVEU-HNNXBMFYSA-N 442.524 0.137 50 20 ICGD Cc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)cc1 758714590 YEBYZJBYNLGJEK-QGZVFWFLSA-N 426.477 0.732 50 20 ICGD Cn1nc(Br)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 760491538 UTACYXXWRDOKJR-UHFFFAOYSA-N 430.122 0.623 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc(-c2ccccc2)no1 763045187 UNTPNLAPPICZHQ-NSHDSACASA-N 430.446 0.646 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 763439017 GTYZLGWARBGKNG-UHFFFAOYSA-N 443.526 0.865 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 763572045 LFFRDWCKNKTPGZ-GOSISDBHSA-N 436.428 0.810 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764169119 ULWJMCJNYVQOIS-QGZVFWFLSA-N 446.485 0.928 50 20 ICGD C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227801 RUZFOUHQOCVNDD-QWRGUYRKSA-N 427.508 0.104 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 764400684 QWPFWCMOVQNPHB-OAHLLOKOSA-N 434.493 0.696 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 765126631 LFALOVJUXBMQQP-UHFFFAOYSA-N 427.530 0.994 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COc3ccccc3)CC2)cc1 765727813 ITXFRMGHPCNEFI-UHFFFAOYSA-N 446.529 0.528 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643718 ROPMHFHAZKDYLO-KKSFZXQISA-N 438.484 0.820 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 769087432 LDGOECGAYSZZHF-UHFFFAOYSA-N 440.485 0.485 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1 773070458 PKXJLIKWFKKOJP-UHFFFAOYSA-N 448.505 0.628 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc1F 778442734 ZXWHPEVIDVQUEE-UHFFFAOYSA-N 430.458 0.576 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 785685577 BBRNKLYTLZBGFX-UHFFFAOYSA-N 443.478 0.554 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 787000887 XHYBYUDFQZSJNF-GOSISDBHSA-N 446.504 0.013 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 788165666 FLPWCPWKYOTZCG-UHFFFAOYSA-N 433.206 0.801 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 789742111 FFZBHPHGVFRGRR-BEFAXECRSA-N 435.502 0.558 50 20 ICGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792841553 ASKLROGJPCRJPJ-HNAYVOBHSA-N 441.550 0.849 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 793368218 ICYMQYIGANCYSU-UHFFFAOYSA-N 432.520 0.778 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(OC)c1 793443733 IJJZXQDERFHQCG-LJQANCHMSA-N 434.449 0.080 50 20 ICGD CC(C)[C@@H](C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CNC(=O)OC(C)(C)C 794525105 SWKCBBPLNCBFCS-CYBMUJFWSA-N 449.512 0.333 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1 796991784 JEESXMZSZWVGSA-UHFFFAOYSA-N 446.391 0.956 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c(C)c1 797001694 JQESYCKTZURBDS-UHFFFAOYSA-N 442.472 0.847 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 797402602 IDMLRLWTSJBQNV-UHFFFAOYSA-N 443.279 0.960 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc(COc2ccccc2)o1 809982448 RIFHUKYVMSEUGS-UHFFFAOYSA-N 430.442 0.993 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2cnn3c2OCCC3)c2ccccc2c1=O 821128063 PVXLHQQTYVOPEL-UHFFFAOYSA-N 432.462 0.580 50 20 ICGD O=C(CSCC(=O)N1CCCCC1)NNC(=O)c1csc(N2CCOCC2)n1 849201691 SPQYOUNMAVCNED-UHFFFAOYSA-N 427.552 0.486 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 914602206 GIDKYFJDCBNXMF-UHFFFAOYSA-N 443.441 0.113 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1=S=C2CCCC2=C1 914750693 WZHREENFRPSEAZ-UHFFFAOYSA-N 425.488 0.263 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cn2)CC1 916247406 VQWOMSTYQAHWEN-UHFFFAOYSA-N 443.464 0.651 50 20 ICGD O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885863 OLCRCOYIIAMFCE-INIZCTEOSA-N 431.470 0.814 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCN(C(=O)C2CC2)CC1 1317787324 FOWBQNOIRQRNHD-UHFFFAOYSA-N 436.538 0.633 50 20 ICGD CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1318267892 SIUMSMFQWYHPTG-UHFFFAOYSA-N 432.506 0.916 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ncoc1[C@H]1CCCO1 1319220316 QHXOQNXDJAMGGC-MRXNPFEDSA-N 427.461 0.745 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779150504 LQMZINGOBKRFIN-HRNYAPDYSA-N 438.289 0.815 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836002 LLQHPTMRXKECHX-MBOZVWFJSA-N 433.977 0.194 50 20 ICGD CCc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)co1 1782212089 HHBRNAWLKYUEND-IIBYNOLFSA-N 435.525 0.738 50 20 ICGD Cc1ccccc1CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783303537 ZOTOPLCXVKQQOM-XMMPIXPASA-N 436.317 0.751 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1783883403 HNRYWUJYPRBHCL-UWJYYQICSA-N 437.924 0.890 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094964 XGKFMAZISDTLOW-VBYGDGQVSA-N 428.913 0.321 50 20 ICGD O=C(CCCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784919181 RRWKDGMWZUVNDP-XIRDDKMYSA-N 442.243 0.692 50 20 ICGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)cn1 1786242962 BHARATFTMYYUBH-WRZDFSGXSA-N 431.262 0.769 50 20 ICGD CC1=CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786979868 UWCSJLBHTNEBBJ-ZFMNYDKASA-N 426.322 0.706 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2[nH]ncc12 1787309538 DRHLASFOQVELGC-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889937 LHASAQHOSZZEMY-OAACRXHESA-N 441.282 0.552 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(C)c1 1789502514 VAUPROXXYPASKL-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4nccn34)[C@H]2C1 1790418417 GRBUIZPWYCOMJO-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792640827 WAIYYCMLFUDDDA-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc12 1795734459 PFMVYTZBUPQLNH-FAQVEIGNSA-N 447.300 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799240659 BEWSDWMXWXXLBR-YNVMFWSZSA-N 435.908 0.953 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1799270427 ZESIVGKSUVQZDB-AICCOOGYSA-N 433.933 0.479 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799732461 RDQJWDURFJDYBR-VZAMPYOESA-N 427.841 0.757 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccoc3C1)C2 1801010741 TVJSBZFXCYPDBO-OPOADAIRSA-N 432.521 0.347 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cccnc13)C2 1801011667 XVXFWRDJXJIMQO-UPHUGPLXSA-N 439.516 0.811 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2 1801012298 UELOCFBRFCQMCN-ZRAXVTTISA-N 428.533 0.679 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(CO)[nH]c3c1)C2 1802336599 OQPCELWVUAJQBI-MUJYYYPQSA-N 442.520 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)C(C)(C)C)[C@@H]1c1cccnc1 1803080131 ULDROPSNBVFIJT-LSTHTHJFSA-N 433.553 0.867 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n(C)n1 1805639022 OVTQNPIJNBHORH-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806123447 CZTJAEKMUJXJLP-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812414614 FGPLKZNPCZDSJC-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1813072215 BSRPMWMVHYZNIE-RXVVDRJESA-N 440.504 0.408 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813534353 NGUZAPSBQIGQBX-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)cs1 1815123620 LMEUTXZGUBWDBT-NSHDSACASA-N 443.319 0.401 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(O)ncn1 1815357733 YRAYIUOTLQFWFS-INIZCTEOSA-N 436.237 0.205 50 20 ICGD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1817588043 LMMUIXLRERGWCC-GXFFZTMASA-N 427.914 0.812 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827702733 CCJPLZUEQMWBSM-HXUWFJFHSA-N 443.353 0.372 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925985 WBCMNGWAJDIQRV-MRXNPFEDSA-N 447.565 0.545 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1830533723 SSNWXXVYAICRPB-QWQRMKEZSA-N 446.342 0.000 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1830726935 XFKRNXZSLBXCRB-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1830735241 DURULFLRXWREKQ-KNKQGSTJSA-N 436.936 0.848 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831433869 WQCICONZRVLVIY-KUHUBIRLSA-N 444.536 0.443 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833201983 XMMZNSFAVXSGKJ-CPUCHLNUSA-N 447.305 0.666 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819435 QXPNDDJCYPSXND-GOSISDBHSA-N 442.310 0.945 50 20 ICGD CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834943958 SJOMXEINCASSMV-IXNCKXOBSA-N 448.470 0.890 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnc2ncccn12 1835385116 MCSMSFRSRJTHEI-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837055516 JMYNCMVTIPUXEG-LIRRHRJNSA-N 440.859 0.372 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094036 GTYPMRPZXRZRNA-HXUWFJFHSA-N 436.585 0.751 50 20 ICGD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1837466246 RLMAOQNSKPIQEY-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1837921554 MPPCSNVTFBDRQJ-FQEVSTJZSA-N 430.310 0.158 50 20 ICGD CC(C)N(C)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922234 ZYJWGLYTQCTKJT-UHFFFAOYSA-N 445.369 0.319 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838502156 ZFNUNGKUTRUCDP-VBKZILBWSA-N 449.895 0.177 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106042 ABIDZEIYNLNULV-HLIPFELVSA-N 430.977 0.096 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839963500 MKMCOOJWJZUYJY-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840030556 PDZHHOIBWSCEAQ-VKJFTORMSA-N 432.359 0.711 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840031787 CAULQWBVOHWBAI-KSSFIOAISA-N 445.358 0.508 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nc1 1840032710 HWUQTSRSXXSNME-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840036730 QLPCAHZNTGIPTA-SUMWQHHRSA-N 430.299 0.765 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378849 IYAYGXFLHVNCDN-QGZVFWFLSA-N 431.946 0.618 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010724 VYLMCKMLMDQANO-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C(c1cn2ccc(Cl)cc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011340 UCBZKKGCVBVVMZ-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843213077 OLOQUPBSHKSTQA-UHFFFAOYSA-N 428.415 0.685 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1846385856 DGNPKRGEAMOCRZ-MWTRTKDXSA-N 439.516 0.473 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)[C@@H](O)C1 1847237950 IMNSIJIGENJEKS-GVRJEKJASA-N 445.944 0.406 50 20 ICGD Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 727473120 GIZJJONZOVEVPU-UHFFFAOYSA-N 438.448 0.813 50 20 ICGD O=C(NNC(=O)C1=S=C(c2ccc(OC(F)F)cc2)C=C1)N[C@H]1CCS(=O)(=O)C1 730213199 KFFQQUOYLWLQHQ-NSHDSACASA-N 445.469 0.801 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2OC)cc1OC 731494088 KCJHEUMMYVKASK-UHFFFAOYSA-N 437.474 0.842 50 20 ICGD Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C#N)c1 744402659 OTBIJUAEOJYMIE-FQEVSTJZSA-N 431.456 0.449 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744504461 GVFJGAAWGUSUOD-WOJGMQOQSA-N 431.412 0.856 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 750322639 KHWKSVWPYKSQSO-UHFFFAOYSA-N 435.462 0.836 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(Cl)cnc2N)cc1 754741106 OZLZBYUAIRYDKC-UHFFFAOYSA-N 447.926 0.256 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@]2(O)CCOC2)cc1 755219849 SXEMPMHSZPOZTG-VROYLXGSSA-N 439.472 0.609 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 755452606 LDBLRABCUZEPMS-GFCCVEGCSA-N 449.555 0.198 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 757724308 CCSPZFYRLRQYNU-MRVPVSSYSA-N 435.388 0.377 50 20 ICGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758840108 TVWZFPBDCMPUOL-OAHLLOKOSA-N 429.502 0.648 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NN=c1sc2ccccc2n1C 762970721 CTGIUYZZTRWHFJ-LLVKDONJSA-N 433.515 0.638 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 763645872 DCAHCXOQSSIZIJ-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 763668613 OHQWIDBZUDJOIA-UHFFFAOYSA-N 439.472 0.405 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 763772128 NVUMPHOKSIDMJW-QGZVFWFLSA-N 443.412 0.432 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(Br)nc1 763802980 DJDSWHBVPBWDAU-UHFFFAOYSA-N 438.194 0.917 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 763823397 AQBALYNKFSJFFX-MRXNPFEDSA-N 429.502 0.511 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1 763824301 HKPCYHSUDSQHIT-UHFFFAOYSA-N 442.453 0.840 50 20 ICGD COc1cccc(-c2nsc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)n2)c1 763893768 ZOCJNDUSTRSOFN-UHFFFAOYSA-N 429.462 0.813 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005728 FYBZFLQDUCCAPI-GFCCVEGCSA-N 442.428 0.831 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)n[nH]1 764100202 XQTVXQBUPOJASP-UHFFFAOYSA-N 441.492 0.932 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 764132784 QAMSYYIMVGUJHW-UHFFFAOYSA-N 439.432 0.317 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 764201784 CUUQNWOUDYHARX-UHFFFAOYSA-N 447.536 0.882 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 764231792 QDKJJNHZWGQBQL-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 764325349 KODYBQXUMXPYHE-QGZVFWFLSA-N 428.493 0.761 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccc1-n1cnnn1 764342194 CPFTXVBANFUBJS-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1)C(=O)OC(C)(C)C 764435843 XPKNQADNPDDVBE-HNNXBMFYSA-N 436.465 0.555 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)n(C)c1=O 764819309 VANRYCBHLNPLOU-UHFFFAOYSA-N 425.232 0.596 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n2nc(C)cc2n1 766637180 ZZUZNPXZEXBIEZ-UHFFFAOYSA-N 435.488 0.565 50 20 ICGD C[C@@H]1CC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C[C@@H](C)O1 768123009 USYKNKFMVCGVDZ-ZIAGYGMSSA-N 426.543 0.600 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCOC4(CCC4)C3)nc2)CC1 769194386 PXSKMVNPAGXQFT-OAHLLOKOSA-N 438.554 0.746 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc21 770991925 URLYBWNEIQTPHE-GFCCVEGCSA-N 431.478 0.613 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc2O1 777940885 OZIAASZCVNQPNT-AWEZNQCLSA-N 443.478 0.387 50 20 ICGD N#Cc1ccc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 779990519 HJBFRQVGDYCVGS-HNNXBMFYSA-N 440.485 0.876 50 20 ICGD COC(=O)CC(C)(C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 780519485 CGJWKQFKYORIJE-UHFFFAOYSA-N 427.527 0.440 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@H]3CCCCO3)nc2)CC1 780908067 VZTPUKLTQWVVTP-OAHLLOKOSA-N 426.543 0.603 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 784003157 AUCFXGFHYDDZNM-UHFFFAOYSA-N 425.810 0.826 50 20 ICGD NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 784061699 SOUSFNBYHZQGIW-SFHVURJKSA-N 434.493 0.941 50 20 ICGD O=C(NNc1nccnc1Cl)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 784776856 VZXVYPSYQFETEF-UHFFFAOYSA-N 428.833 0.792 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1cccs1 785403926 POVOHPJNBAUHSU-UHFFFAOYSA-N 429.451 0.560 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccccc2C#N)n1 786740901 TZPQPSPWXRDIAI-UHFFFAOYSA-N 434.478 0.730 50 20 ICGD CSC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 789289576 MCQNQIQEOAUGCG-UHFFFAOYSA-N 442.563 0.937 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCC(=O)Nc2ccc(I)cc2)cn1 790893736 ZLTGZGKTPODJSM-UHFFFAOYSA-N 442.217 0.607 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1C 795310719 COIIFJHOGPAFOH-UHFFFAOYSA-N 425.488 0.973 50 20 ICGD Cc1c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nnn1CCOc1ccc(F)cc1 799862697 BILDMKFASYCMSH-OAHLLOKOSA-N 425.486 0.911 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)CCc2ccc(OC)cc2)c1 800594823 IKKSJZUZQDRNAM-UHFFFAOYSA-N 427.461 0.957 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1 801102423 QMJITHGWFBONKQ-UHFFFAOYSA-N 438.550 0.733 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)c1 803469689 OMFHMGVWORDLJP-JOCHJYFZSA-N 425.441 0.706 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 805769775 VDAZJDXMRAGKNH-GFCCVEGCSA-N 426.417 0.390 50 20 ICGD O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCN(S(=O)(=O)CBr)CC1 807195801 HTRHEKJXLCUQFK-VIFPVBQESA-N 436.250 0.366 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 807737659 NEBVTUNSZXWXPG-OKILXGFUSA-N 432.389 0.074 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)NNC(=O)[C@H]1COc2ccccc2O1 808593308 CFGPODGTEHOEFM-JCGIZDLHSA-N 440.408 0.821 50 20 ICGD Cn1nc(SCC(=O)NN=C(C[C@H]2CCCO2)c2ccc(F)cc2)c(=O)n(C)c1=O 811636441 FIRZOHDRNNAXDL-CQSZACIVSA-N 435.481 0.800 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cncc(C#N)c2)c1 811674933 CNUBPCBQOJFUCY-UHFFFAOYSA-N 437.503 0.607 50 20 ICGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[C@H](B(O)O)C1 864233774 KJOJQUKPMIDDMY-AWEZNQCLSA-N 426.300 0.372 50 20 ICGD CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 901382008 YZFQVEBPWWJADO-SDXDJHTJSA-N 426.473 0.522 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1116324262 DCQCMUDNXJFXMQ-UHFFFAOYSA-N 429.521 0.192 50 20 ICGD C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783063065 ZKLABMLRHAYSKL-DWUINAILSA-N 429.521 0.739 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1783938486 ZMUVEALJFWBRLB-HSZRJFAPSA-N 444.532 0.828 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1783990537 DVRWLCMBXSOYBY-PDWCTOEPSA-N 437.896 0.386 50 20 ICGD CN1N=C(C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)CCC1=O 1788145238 UDCDAAICVDNJDS-UHFFFAOYSA-N 448.288 0.722 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788565406 JEPGAQZDMKAULC-LLLAAFKUSA-N 437.368 0.910 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1790652266 HKXWVASWFFWQAA-TZQJONAQSA-N 430.820 0.271 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749017 GDJLWJHQDCEANH-QMVSFRDZSA-N 437.356 0.327 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1790960919 CBPZCWGOZMVBOD-QAETUUGQSA-N 446.386 0.862 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1791254913 WHBBIOUDUXAQDI-MXAVVETBSA-N 437.884 0.282 50 20 ICGD O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791710935 VATPBHSSHPYKCQ-LOHUMSBYSA-N 430.274 1.000 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115149 AZCKJBNCLPZQFT-XLWJZTARSA-N 433.933 0.500 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCO1 1793770031 ACQMWZZAHLVDCM-LWVZYPGJSA-N 445.520 0.669 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)n1 1796596514 IIOWXNHZRNPJEF-ZMJPVWNMSA-N 433.278 0.423 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccn3c1)C2 1801011474 OMRYMPLAPOPVEN-CCWDJLKJSA-N 433.534 0.577 50 20 ICGD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1801659210 OQFBPXKCNKWTGR-XGUBFFRZSA-N 430.933 0.893 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803146427 ATTXXGWCOLXSGQ-ZSZQSSIHSA-N 433.896 0.816 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1803510313 WSHWRNSPMSARTP-UNQGMJICSA-N 434.921 0.950 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cscn1 1805741475 GTDRMUUNWJPWBR-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979927 FUOXUXULRDGXPC-MRXNPFEDSA-N 446.309 0.773 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cccnn2)[C@@H]1c1cccnc1 1810723660 MTBNFONLOAXUDX-BEFAXECRSA-N 446.471 0.504 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474891 ITPODNOSURRPNY-HNNXBMFYSA-N 438.253 0.588 50 20 ICGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@@H](O)CCl)CC4)CC2)CC1 1822711742 FGSMRAPDABKNBY-JSGCOSHPSA-N 441.985 0.435 50 20 ICGD N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548014 CJXBGTYKOMFRPN-UWJYYQICSA-N 448.907 0.952 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732897 YEXLYJBSWYCXOC-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733394 LDZSZZUPHDNDAM-GHTZIAJQSA-N 448.907 0.746 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830766133 YQUUCLXXADSQBV-GJYPPUQNSA-N 446.386 0.958 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830966571 BNRVTWFLNSASRR-ROUUACIJSA-N 431.320 0.712 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870837 GNYDEKQDXBSDRD-SJORKVTESA-N 438.573 0.426 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832417313 JQSQCKYKLCOPEV-OAQYLSRUSA-N 429.370 0.940 50 20 ICGD CCc1[nH]nc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1F 1833308572 VOICCTGKLNZKOA-OAHLLOKOSA-N 429.924 0.896 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)c(C)n3)CCO2)C1 1833466152 FANBXIVUEVRGIU-KUHUBIRLSA-N 429.876 0.853 50 20 ICGD C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833475483 DAQOWWFWXAIIAO-KRWDZBQOSA-N 443.353 0.143 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591933 QMYWEXVTWJQGQE-KRWDZBQOSA-N 429.267 0.495 50 20 ICGD N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1835836739 UYKBYXOQSDOHFO-KDOFPFPSSA-N 431.320 0.732 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835939894 NAPBYQXFHIJQKX-JOCHJYFZSA-N 444.337 0.263 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883505 IZZGCPMYRJCVAC-SWLSCSKDSA-N 447.374 0.361 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)n1ccnn1 1839155555 XCOXKIRCIZWDNW-COXVUDFISA-N 434.324 0.532 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031118 GBYOILXNMAGBKO-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840150878 SJPUCLUESKNZKQ-ORAYPTAESA-N 444.891 0.750 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840151394 AHCUZEDBYQTSEP-SYNHAJSKSA-N 441.912 0.572 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)CC1 1840156820 VARSMDGEXYNRFY-XLIONFOSSA-N 431.961 0.429 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840493452 WMENCAJHYBYDNB-PMUMKWKESA-N 443.342 0.992 50 20 ICGD CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840522801 QKLRRRIYIHHYLI-UYSKRRQASA-N 449.508 0.003 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1844264805 JTYPTSSOMJDQFD-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CS[C@H]2CCCCO2)C1 1844291159 GVBAKBYCSISHAJ-KRWDZBQOSA-N 433.534 0.762 50 20 ICGD CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 12746967 VLLWYMZZHYEDLN-HNNXBMFYSA-N 445.428 0.952 50 20 ICGD CCOC(=O)/C(C#N)=C/NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 18988556 NWBJLDOTLXCWKZ-VAWYXSNFSA-N 425.423 0.503 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728323411 FQJGNMSHJFAVGR-CZUORRHYSA-N 433.461 0.554 50 20 ICGD Cc1cccc(-n2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nn2)c1 728343839 GZZUILBOZHAOEN-GOSISDBHSA-N 437.412 0.720 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1CCS(=O)(=O)C1 728380717 RCKFOTFBLISTOZ-KQYVJACZSA-N 441.506 0.298 50 20 ICGD Cc1cccc([C@@H](CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)NC(N)=O)c1 728846077 RPVBKPOQYDXDPP-QGZVFWFLSA-N 425.493 0.949 50 20 ICGD COc1ccc(NC(=S)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1F 728986262 QNEKIWJKCJLSFT-UHFFFAOYSA-N 437.478 0.891 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCn2c(=O)oc3ccccc32)c2ccccc2c1=O 730128334 ZLZABMUVIFPEFG-UHFFFAOYSA-N 436.428 0.969 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)NCC(F)(F)F)n(C)c2)C1 730292268 ZOPJHACUVQADAQ-SNVBAGLBSA-N 425.433 0.952 50 20 ICGD COc1ccc([C@@H]2[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CCC(=O)N2C)cc1 734321388 HEIRAPYKVKPUAL-HNAYVOBHSA-N 428.445 0.775 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 742452606 AEWLBZUXWUTSKQ-UHFFFAOYSA-N 434.400 0.248 50 20 ICGD COc1ccc(CC(=O)NNc2ncnc3[nH]cnc23)cc1S(=O)(=O)N1CCOCC1 743470143 PHUFVSCTZVJXOZ-UHFFFAOYSA-N 447.477 0.068 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 745849691 CBAZUQRSEVRDEM-MRXNPFEDSA-N 428.511 0.323 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 745862520 LJEKBZVNZHCYNH-OAHLLOKOSA-N 439.586 0.197 50 20 ICGD COC(C)(C)C[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745867446 UNHIRJXXNNONNR-CQSZACIVSA-N 428.559 0.847 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 745992554 DGLGZDAFYWEUAU-UHFFFAOYSA-N 448.904 0.953 50 20 ICGD CCOc1cc(C#N)cc(Br)c1OCC(=O)NNC(=O)C(=O)N1CCCC1 748241288 ULCIEHLJERRZDL-UHFFFAOYSA-N 439.266 0.868 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 755536799 UURBSFBMQFVRLA-CYBMUJFWSA-N 437.478 0.791 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O 756639388 XZTKAMYMYFGKJV-UHFFFAOYSA-N 426.476 0.512 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)c1 757648590 CEPNDBKIFOFDAC-VXGBXAGGSA-N 430.465 0.548 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 758040844 SHLKPUUUILLWPK-MLGOLLRUSA-N 448.501 0.235 50 20 ICGD Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 759083392 CKGGXIZBWSXPDA-UHFFFAOYSA-N 436.538 0.495 50 20 ICGD COC(=O)c1cn(C2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 759888836 GKQHUGJNVLBUAG-UHFFFAOYSA-N 431.409 0.071 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)n1 759999893 PVPUORGXCMVQIT-UHFFFAOYSA-N 430.442 0.652 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 763571926 PSLJLRYZIVRRMG-GOSISDBHSA-N 429.429 0.946 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763713114 VAPMJXDOOBPODO-UHFFFAOYSA-N 425.445 0.944 50 20 ICGD O=C1C[C@@H](c2cccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)c2)CN1 763745792 KXUJPTWFIHGSNF-QGZVFWFLSA-N 435.484 0.829 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763865782 WJSSVJLRWJEGIL-UHFFFAOYSA-N 448.439 0.548 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1OC 763911339 KWNUHITXZGWIIM-UHFFFAOYSA-N 428.445 0.912 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cccnc12 763917539 WMSOHJRCEMJDPW-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F 764229943 GAFAKQBQABUAMM-QMMMGPOBSA-N 442.441 0.365 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1ccccc1F 764320347 YFJUXNJSIDDTPC-UHFFFAOYSA-N 448.476 0.355 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)N[C@@H](C)C3CC3)CC2)cc1 764512288 AWTQBKPRPFNVAY-HNNXBMFYSA-N 439.607 0.595 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3(C(=O)NC4CC4)CCC3)CC2)cc1 766649610 RLITVHQHQVGIGA-UHFFFAOYSA-N 427.549 0.709 50 20 ICGD CO[C@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)n1 766913624 CNNCDZGJKGYVHK-QGZVFWFLSA-N 444.536 0.983 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 778437903 GWSQGIBBDFQVFR-UHFFFAOYSA-N 438.462 0.279 50 20 ICGD COc1cccc(C[C@H](O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 785703154 BZYLDWKAOIPVBH-YJBOKZPZSA-N 430.413 0.129 50 20 ICGD COC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 789335038 OTCVMHZMPPAWAY-JKSUJKDBSA-N 428.511 0.140 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)ccc2[nH]1 792368068 QUCDMJMUHCPDND-UHFFFAOYSA-N 433.428 0.504 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1S(=O)(=O)NC1CC1 792393265 BLGYJLVZYOKUSH-UHFFFAOYSA-N 429.462 0.560 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794064781 PUSUAAAAJCFMNQ-UHFFFAOYSA-N 440.464 0.330 50 20 ICGD COC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 796291641 FMNYMPPNCCQZFC-KRWDZBQOSA-N 433.383 0.892 50 20 ICGD O=C(CN1CCC(S(=O)(=O)N2CCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 800483129 ZJRONOOSYCLOMP-UHFFFAOYSA-N 439.494 0.246 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C)nc2Cl)cc1 800831188 ROVQWUKRBAOKFT-UHFFFAOYSA-N 446.938 0.982 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1CCOc1ccc(F)cc1 801817925 GXRHWUBFTIMMTK-LBPRGKRZSA-N 440.457 0.392 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 804958948 SZYGHAAOYWGAQO-AWEZNQCLSA-N 445.509 0.546 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806979494 XJQLWZUFHVBQDL-UHFFFAOYSA-N 442.403 0.782 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 808069130 QIBZRXDAXUBSAX-UHFFFAOYSA-N 445.494 0.467 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 808942900 MCMUIUSCMQQUBY-UHFFFAOYSA-N 426.385 0.369 50 20 ICGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 812441325 QPCDAOVEKBIKKR-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815780051 HGTRRKFSDKUPPC-JKSUJKDBSA-N 446.460 0.119 50 20 ICGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCCC2)c1 821119213 MQKUADOJAROYMG-ZFWWWQNUSA-N 428.536 0.435 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccs2)cc1 915022227 UYEICQCFSFMIHQ-LBPRGKRZSA-N 425.488 0.728 50 20 ICGD COc1ccc(-n2nnc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)c2C)cc1 915190566 HLWFJOXPHISCFG-UHFFFAOYSA-N 433.428 0.906 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)S(C)(=O)=O 915357392 CUIIRSZXXDFXCR-SNVBAGLBSA-N 431.517 0.743 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 916237594 DQKAYGOFTVILEZ-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 916636750 LFKLTFXVWWBUKW-GOSISDBHSA-N 442.563 0.242 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 916642972 AMRLLLFYLVYHGZ-SFHVURJKSA-N 433.575 0.310 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CC(F)(F)F)c1 918365615 HIJLFOXZFVKVOU-UHFFFAOYSA-N 438.428 0.547 50 20 ICGD O=C(/C=C\c1ccc(I)o1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885885 OWDVVDDJDPDSJU-DLRBJTRDSA-N 439.231 0.415 50 20 ICGD CCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 921041568 AXMNNGXPMPIRBI-UHFFFAOYSA-N 426.495 0.614 50 20 ICGD O=C(NNC(=O)c1cccc2c1OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 921277628 UNYIQDDGNAUNQS-UHFFFAOYSA-N 447.469 0.554 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2)CC1 1115920628 DYEHGOOEHNYVNU-UHFFFAOYSA-N 441.536 0.436 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCN(c2cccnn2)CC1 1116767144 WFYWDCFZXXSAGP-UHFFFAOYSA-N 446.537 0.691 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(OC)cc2)s1 1319895582 YZOLRRZEYIQWQV-UHFFFAOYSA-N 447.560 0.862 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1322207018 FNKKMPUOUNUPKH-OAHLLOKOSA-N 432.502 0.782 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777722657 RRXMDYAFXOGNFZ-HXUWFJFHSA-N 430.465 0.039 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccn(C)c34)C2)C1 1777969510 AVIBJRPHTZBXON-QHCPKHFHSA-N 441.532 0.995 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778589053 ISBJWFNBFJEFFW-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779031958 HZHBFQFPGQIHAI-ZHRRBRCNSA-N 427.505 0.875 50 20 ICGD Cc1ocnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779864885 HSVLMHQPTDIGDU-DYESRHJHSA-N 427.266 0.104 50 20 ICGD CN1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CC1 1782210443 TUNMXCJSZUWZGI-XMSQKQJNSA-N 437.585 0.215 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(=O)oc1)C2 1782210662 AYMBAHXMJSWYFR-IIBYNOLFSA-N 434.493 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1783933969 PNSPZCRANZMIOD-NRFANRHFSA-N 428.493 0.379 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C(F)F)n1 1783934501 BYQMBCNZCCBINC-IBGZPJMESA-N 442.467 0.403 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934951 OGCWMNQSGCWHOG-VGOFRKELSA-N 432.521 0.657 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937752 OCXKNVCHKFDAFA-IIBYNOLFSA-N 433.509 0.052 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784667497 IFANHDTXFFWSGL-FMSGJZPZSA-N 427.299 0.949 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnsn3)[C@H]2C1 1785658483 IDWRCPUKDFYRMY-RQLFHFPYSA-N 445.505 0.265 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787474606 CKFNHYMUDUXCLB-QXKUPLGCSA-N 443.317 0.622 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1790569623 ZVTAEGWGXFCYCB-RFGFWPKPSA-N 449.415 0.481 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791654704 YSPGDTCMMBMCAQ-CAMMJAKZSA-N 447.536 0.202 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)C1(O)CCC1 1792474299 HBKHQFGOCHXNKE-CJQVZLAJSA-N 445.520 0.261 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794599258 HPELDZZQITUJPO-NRWUCQMLSA-N 429.315 0.975 50 20 ICGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)c2c1CCC2 1797045710 ZIRPTSYJXALKQN-DRXBFXEBSA-N 425.327 0.897 50 20 ICGD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522454 YKPUZSVUCLOQIN-QOIYZWAUSA-N 448.476 0.721 50 20 ICGD Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1799801339 VNXQOIUGFQUVAA-XEMDLRDOSA-N 448.483 0.382 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801427969 BVFQWALQXJBHRH-REGYPHIPSA-N 426.278 0.041 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105144 VJGCXKRRPSFNSL-GNXNZQSNSA-N 433.983 0.701 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1804331791 YJYYKABLAJSXME-OXJNMPFZSA-N 441.488 0.936 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370749 KCLDJTQDDPNKGA-NQIIRXRSSA-N 438.337 0.469 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950004 SAOYKHVZXCKGJO-WWGRRREGSA-N 444.883 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1808256103 YWMSUWAKHYIMOI-HRAATJIYSA-N 427.509 0.426 50 20 ICGD Cn1ncnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816302160 UEILATHBTFACHD-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249082 FPPKLRHNZZLKBD-NHCYSSNCSA-N 429.319 0.778 50 20 ICGD CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821971582 QCONJFVUYGNMSB-BZNIZROVSA-N 442.480 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSCC(=O)O)[nH]n1 1822416791 PLWBHEIAJKMOTR-ZDUSSCGKSA-N 440.526 0.593 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)[nH]n1 1822416800 PZCFMYKMUSJXFP-UKRRQHHQSA-N 433.513 0.301 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)n(C)n1)CC2 1826080556 QSWCRDRYBAOKEP-JTQLQIEISA-N 435.510 0.181 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055962 PJYIMIVTLHRVJM-UWJYYQICSA-N 426.322 0.638 50 20 ICGD COC(OC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923632 QGCLGBMCFLWXGQ-KRWDZBQOSA-N 433.509 0.537 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)n[nH]2)CC1 1828926993 WUJBXGGLQPQJRM-KRWDZBQOSA-N 441.492 0.661 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166441 GLNZFDVGSQMVTN-HUUCEWRRSA-N 431.917 0.403 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1831651647 SEKYNJQUQCBHDL-TXPKVOOTSA-N 427.933 0.778 50 20 ICGD NC[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1ccccc1 1833310573 NNJSKVYBVZUBEA-PMACEKPBSA-N 436.984 0.900 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834689349 HSOUIHWVQMKRRZ-IERDGZPVSA-N 438.617 0.304 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835927846 YVLAFPGZBAUJOQ-NRFANRHFSA-N 444.318 0.120 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836162497 VUJSUONCHHMXME-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311576 ZLWXUUPACVDUFD-ZBEGNZNMSA-N 449.733 0.927 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839153287 FJFMSIYKPJQPNA-QZTJIDSGSA-N 432.304 0.626 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccnc1 1839199142 QLUONVMQJMZVQC-WWGRRREGSA-N 433.278 0.591 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202075 UIMGPGXZDGPRFT-IUODEOHRSA-N 449.233 0.683 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030128 BDTOEZJCOCTCSW-XNJGSVPQSA-N 434.331 0.141 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840151294 YBRHAMRVDJRNOV-XLIONFOSSA-N 443.903 0.864 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841287870 LXAXOXYWUQQBIF-GFCCVEGCSA-N 434.294 0.938 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012996 XPLSEHSWFDRICR-OAHLLOKOSA-N 445.325 0.344 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[S@@](=O)c1ccccc1 1845779618 HCIUNFCOIJYOKK-XHDOVSQSSA-N 434.562 0.759 50 20 ICGD Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNc3nnc(C)c(=O)[nH]3)CC2)c(C)c1 11547721 MDRPVKQZGSIFLT-UHFFFAOYSA-N 434.522 0.943 50 20 ICGD CN(C)C(=O)[C@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 15466417 IUTSRRJVBQRKAI-LJQANCHMSA-N 446.529 0.771 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 24653303 XCIMNLSSELSSJH-UHFFFAOYSA-N 429.451 0.756 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 726281796 DGPBKDKOIUIDFI-NRFANRHFSA-N 436.428 0.522 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(C(=O)N3CCCC3)CC2)n1 728724932 KQAAXFNBMLBGNW-UHFFFAOYSA-N 437.522 0.612 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cc(C(N)=O)c3ccccc32)n1 728732220 IFGHBUXCNNBZRG-UHFFFAOYSA-N 429.458 0.438 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1 729274808 DPZCNVSNCHHGPW-SECBINFHSA-N 430.284 0.334 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)n1C[C@H]1CCCO1 730569839 AGCHOBPXDNADFO-OAHLLOKOSA-N 434.522 0.319 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNc1nc2ccccc2c(=O)n1C 733261019 WJHGZVNPXLUKNM-UHFFFAOYSA-N 439.476 0.650 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cnccn2)c(F)cc1Br 734417536 ASTFKFOIZIOEMH-UHFFFAOYSA-N 433.215 0.788 50 20 ICGD CC(C)[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N1CCCC1=O 735116812 GYLGMVYDSIIVFI-KRWDZBQOSA-N 438.554 0.108 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)c3cnn(C)c3)cc(C3CC3)nc21 735472720 APPPHINTHVHAPH-UHFFFAOYSA-N 425.449 0.839 50 20 ICGD Cc1ccsc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741649497 UMHPAIIECGHWSD-UHFFFAOYSA-N 445.544 0.701 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cn1 743251767 WGIDTBLOVUUATN-ZDUSSCGKSA-N 432.458 0.986 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)Cc2ccncc2)c1 747325959 BNPRHSLLUOKJBK-UHFFFAOYSA-N 447.517 0.172 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 749395175 BPSRYHILIXZGBW-LBPRGKRZSA-N 435.485 0.493 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 753688078 ALWXERDIHHEFLN-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)CCOc1ccccc1)OCO2 753841170 QGVYOYRPJWJGMF-UHFFFAOYSA-N 429.385 0.757 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755049550 OBYJGXOQMLJRJK-QWHCGFSZSA-N 439.494 0.101 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)n([C@H]2CCS(=O)(=O)C2)n1 755537997 YSQPRYJQWHTQLD-ZDUSSCGKSA-N 431.478 0.974 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 756068213 WZJPQNHMMGDFRS-QMMMGPOBSA-N 435.388 0.377 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(F)cc2Br)c1 756096920 IWGPAEIVHRIDGV-UHFFFAOYSA-N 434.247 0.061 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 756363379 NSBYVHRPIWHURN-UHFFFAOYSA-N 447.473 0.913 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 756671493 FPBKYANQAOPHQS-GFCCVEGCSA-N 446.526 0.976 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763574599 FZSJXVHPVSNIQD-INIZCTEOSA-N 429.385 0.164 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 763745330 CJPYJHFYHJKMCZ-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763947416 BGCFTRPYEKZTLW-UHFFFAOYSA-N 437.412 0.693 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1NS(C)(=O)=O 764169451 WFFVARFOFYEJBN-MRXNPFEDSA-N 432.458 0.456 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764380398 ZKDPBZCBKWKPGS-UHFFFAOYSA-N 428.373 0.092 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 764430616 XFYDNTJMVKZSHM-JTQLQIEISA-N 440.172 0.969 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2=O 768571057 LOSYWGZSYLTHBO-OAQYLSRUSA-N 440.460 0.987 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(Br)nc1 771022315 XXIXHIKDCJSRDK-SECBINFHSA-N 442.295 0.753 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772968107 CGBKFVUKINNPOW-ZPWNPBNNSA-N 435.864 0.807 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3cnc4ccccc4n3)cnc21 774783003 GYENGZALGDJTJL-UHFFFAOYSA-N 429.238 0.979 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 776942497 MMKRYKDQDMZLLY-GJZGRUSLSA-N 446.298 0.979 50 20 ICGD COCCOc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccn1 777179722 VAIIWTFPJUECFK-MRXNPFEDSA-N 431.401 0.251 50 20 ICGD COC(=O)c1cc(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)s1 777599778 LLBNGNWSNQPGFT-UHFFFAOYSA-N 428.286 0.131 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)nc1C 778424152 MCBUIBGKWZPFQT-UHFFFAOYSA-N 426.433 0.602 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cccc1-n1cnnn1 782885772 IILWQKDQXCRMMR-UHFFFAOYSA-N 433.432 0.186 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(OCc2ccccc2)c1 785995445 VECPIPYMUOYXCX-UHFFFAOYSA-N 440.456 0.983 50 20 ICGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 788876000 SPHDXIRGVRGXAY-UHFFFAOYSA-N 444.473 0.247 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2ccc3ccccc3c2=O)cc1 790483368 NOTOCUURLZWLNW-UHFFFAOYSA-N 442.497 0.778 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 792238724 WQBHYLSKPLMYRQ-UHFFFAOYSA-N 428.942 0.182 50 20 ICGD Cc1cc(Cn2nnc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2C)on1 794184875 JRJMJYYYORVBGO-UHFFFAOYSA-N 447.477 0.256 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 802120365 QOWPVYJZHWRAAX-UHFFFAOYSA-N 425.243 0.630 50 20 ICGD Cn1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc2ccccc2c1=O 803868632 JELDFDNQLIFLME-SFHVURJKSA-N 437.408 0.683 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1OC 811232890 LSGAFHSEULXPLS-JOCHJYFZSA-N 441.440 0.466 50 20 ICGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 812508600 CPMZXLIHIYCAOG-HNNXBMFYSA-N 441.554 0.380 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 813034001 UWXGAEOWFUNXRF-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 912979773 XNRBLJGEANVLSW-UHFFFAOYSA-N 440.459 0.659 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)[C@H]1COc2ccccc2O1 913416515 HPSGMBHWJBLAHM-CQSZACIVSA-N 427.385 0.231 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 914460584 FNYFQISGLLYYOT-OAHLLOKOSA-N 443.504 0.843 50 20 ICGD O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NNC(=O)c1ccc(F)cc1 917125479 DMKKBDWZERQUMZ-UHFFFAOYSA-N 439.491 0.794 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 918604948 WAFDZISHBBQUCW-HNNXBMFYSA-N 431.536 0.445 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 919822409 SEHMNTGJRCIHGA-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c2ccccc2c1=O 933566230 JEWVPUWYVBDVQY-QFIPXVFZSA-N 448.439 0.162 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1317772484 ZNAGQGRJRIDBOG-UHFFFAOYSA-N 425.453 0.004 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264523 WVTFUVOJTDDHEU-MAUKXSAKSA-N 431.375 0.237 50 20 ICGD COC1(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779034766 UPMHYYQVPUTCCE-OAQYLSRUSA-N 431.493 0.088 50 20 ICGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1781233902 OKDSXCZENFZLOQ-MSOLQXFVSA-N 447.319 0.324 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781775334 XRAYZYWCOMWABS-UHQDVWGKSA-N 430.343 0.667 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249617 ROIHEQOLPOJJED-XMMPIXPASA-N 445.284 0.672 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782961250 UZCXNKDZLXBHLQ-VBNZEHGJSA-N 427.350 0.630 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1783872764 HABGWSXBWJCKHH-UGSOOPFHSA-N 429.926 0.562 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783877027 ZOAQUWHUMRMXSG-XOBRGWDASA-N 436.896 0.664 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933003 ADDAYOGWIFCTRH-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1785178883 SAYBDKZEGVRRTH-KDOFPFPSSA-N 427.841 0.647 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1785984612 NEFYOFHHWFERCU-JYJNAYRXSA-N 437.566 0.726 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506570 IBGOYBZHHCRAJW-XPSVRQCTSA-N 433.509 0.383 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789870714 SKWQTZSLQZPJSK-NEULZYRMSA-N 439.409 0.686 50 20 ICGD N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1792558282 RDRYOVUKYAMMDT-UPHUGPLXSA-N 448.483 0.003 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 1796443870 OXQUGRSFUUCHPW-ZKEVIYKZSA-N 443.529 0.585 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440065 YUZQYSULWVFIHN-JONQDZQNSA-N 437.504 0.833 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1Cc3ccccc3CN1)C2 1798440155 FBFQIIIHAYEULY-BMQTXXJKSA-N 448.527 0.651 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798713667 CVEXONCXLBWYNQ-UTINFBMNSA-N 425.795 0.281 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2)[C@H](F)Br 1799348553 KYQLOYIYRJZSAD-JRKAUPQBSA-N 446.317 0.668 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802123671 HXIAFJMHSYTLKE-NKGKWGDASA-N 445.325 0.531 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803141011 KDEYPPJFQVXPSR-KCXAZCMYSA-N 433.852 0.489 50 20 ICGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804191307 XHNRSXXRAGKDDR-FZMZJTMJSA-N 428.276 0.443 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1804430534 KYPBGDJTUZFVKV-JTSKRJEESA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncn2C)[C@H]1c1cccnc1 1805817724 JSDLQFANUQKPHK-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369573 OUCFAAISDKHSTD-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808675296 GEBKOXHRFGHING-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811189368 VJYXQXCHGIGBBB-KEYYUXOJSA-N 446.895 0.544 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073430 MJUHDTWNRDTBKH-UZLBHIALSA-N 427.509 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CCCOC1 1814155616 QXDVAKQYSNHTQZ-ZVDOUQERSA-N 437.305 0.508 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)CC2)CC1 1814873844 ZVOWDDFOKPHEOQ-JKSUJKDBSA-N 438.960 0.782 50 20 ICGD CCS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815177179 VLBALWNZUYWMBL-CQSZACIVSA-N 442.542 0.210 50 20 ICGD O=C(Cc1ccccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354697 QETZAQJXTJLPSI-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470528 UNJFPBSGPTZRFF-AEFFLSMTSA-N 428.298 0.802 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)O1 1817471231 DDJJCGZHOYKASE-JEBQAFNWSA-N 426.282 0.963 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824396846 FLXSYFPAVJSSCQ-UZLBHIALSA-N 443.353 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccccc1=O)CC2 1826085376 OSXMUAGXWWLJAB-ZDUSSCGKSA-N 446.533 0.290 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)no1 1827056221 RTUBSGVZOCJTOU-IBGZPJMESA-N 440.309 0.534 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830361947 HNLUWDFCIRNRCE-SFHVURJKSA-N 428.921 0.041 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538394 DZLRWUJFEQZTJO-ZBEGNZNMSA-N 447.355 0.948 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831645555 CFEAUFQUMFYDBI-BLLLJJGKSA-N 426.844 0.960 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1)[C@H](O)CCl 1833306886 JGMJCLOAVVBDPK-CQSZACIVSA-N 428.873 0.973 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834584582 NVRKMXYXMLVDLC-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834777946 OFGMQJWSUUFKFE-LJTORXTESA-N 433.299 0.346 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1)c1cccc(B(O)O)c1 1834800688 YUXGJFHOTRSUII-GOSISDBHSA-N 439.365 0.908 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1834819627 SDYHLZCMUNXXJR-SFHVURJKSA-N 442.310 0.702 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cccn1 1834826341 LOAPCWTZKWWPPL-PBHICJAKSA-N 429.315 0.686 50 20 ICGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835240152 NRAHKZVHYPEIQM-YOEHRIQHSA-N 437.331 0.137 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cccc1=O 1837712466 SZSRSJASEXULQD-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C3(F)CCC3)CC2)CC1 1837920840 JBOZFGZVMKCMSR-UHFFFAOYSA-N 432.301 0.871 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838048449 XMSGJVOOCUZHQO-XLIONFOSSA-N 449.895 0.141 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838118446 OTJJKAXACZYEEP-QFBILLFUSA-N 437.859 0.872 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838640445 FXVIHSSVXLGZAM-IRXDYDNUSA-N 433.292 0.076 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805080 GTPCVCSTFPPYJX-IAGOWNOFSA-N 436.292 0.473 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838948892 QYRVQWADOLRXSF-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840481990 CQDYKMRRUNUKHZ-GOSISDBHSA-N 442.310 0.449 50 20 ICGD CCn1c(-n2nc(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)cc2C)cccc1=O 1841350828 ZLCAGKYLSUCSCL-MRXNPFEDSA-N 447.923 0.779 50 20 ICGD O=C(c1ncn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011323 RTZYMFPNUZEMMG-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COc1ccc2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)[nH]c2c1 1843692875 OGISDDZGGGBFTB-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC1CC1 9889691 ROOWJWJBLYJIIY-UHFFFAOYSA-N 442.925 0.944 50 20 ICGD O=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 209386234 KFNPSLGEVLRUDW-POZKEBTKSA-N 426.381 0.959 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1 731224009 WWMFKFSRQJIZHY-QGZVFWFLSA-N 433.553 0.864 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 732054119 PEPSJPDHJVFAOU-UHFFFAOYSA-N 445.548 0.366 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 732054929 NKXJQKAKALIUCC-MRXNPFEDSA-N 438.912 0.823 50 20 ICGD CC[C@H](C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1 732474641 RSWVVAYTYHECJO-SJORKVTESA-N 426.539 0.999 50 20 ICGD CCn1cc(C=NNC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)cn1 732527627 DBKUXZRDQZTCQD-UHFFFAOYSA-N 448.487 0.795 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cnn(-c2ccccc2)c1 733170158 PXMFKBMHZUWOPS-UHFFFAOYSA-N 438.469 0.762 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734240595 UPDFMYXDEYZAKI-BLVKFPJESA-N 440.501 0.342 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1=O 744603393 IZKLRVUFKCEHIS-UHFFFAOYSA-N 438.440 0.496 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 745848970 YXLSDQZCMYOLHE-CYBMUJFWSA-N 443.416 0.924 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 748547776 YPCHVOMKAQGVJE-CYBMUJFWSA-N 434.474 0.504 50 20 ICGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)COc2ccccc2C#N)CC1 751112531 XDXYTQBINVWPJU-UHFFFAOYSA-N 444.536 0.894 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 755552192 ZJWFTZGQNGQXIG-UHFFFAOYSA-N 438.404 0.032 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2cc(F)ccc2Br)n1 756768889 AAEIGKFPXXPCQV-UHFFFAOYSA-N 428.222 0.734 50 20 ICGD COc1ccc(-c2nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs2)cc1OC 758049428 ZRVPRHVSGFNEKD-SECBINFHSA-N 428.492 0.526 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1OCC(N)=O 763664782 GTZZYUXTPQZHFN-UHFFFAOYSA-N 444.444 0.341 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1ccc(OC(F)F)cc1 763819455 BFRJOKGVJVRUHB-UHFFFAOYSA-N 445.386 0.763 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763918763 HNMFGXIJNCREQO-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 763999408 WOJWDRCVSLOPNN-NSHDSACASA-N 445.881 0.426 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 764002565 NWENTFJYTZUQKX-CQSZACIVSA-N 445.501 0.345 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764083853 BVRMYDQMRQSNRY-UHFFFAOYSA-N 433.417 0.641 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764274721 BTCQXZPQJRBVRP-UHFFFAOYSA-N 447.400 0.361 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764297003 LMZSOPQYNKYMJK-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 765461682 BDMBFHNTTZWMQV-CYBMUJFWSA-N 445.517 0.868 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 771609244 XUUIWTNFERCYGL-UHFFFAOYSA-N 429.813 0.803 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CC(=O)N(C2CCCCC2)C1 772548807 YYJWPWVODLNLIF-ZDUSSCGKSA-N 436.538 0.857 50 20 ICGD COCCCn1c(S)nc2cc(C(=O)NNC(=O)N3CCN(C)CC3)ccc2c1=O 773674806 UXNVQXOOEUCWAQ-UHFFFAOYSA-N 434.522 0.324 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2ccc(Br)s2)CCN1S(C)(=O)=O 776316955 ONVGREHBAJSGJR-QMMMGPOBSA-N 425.330 0.831 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)nc1C 778421500 CPJVWKDIQWDTBC-UHFFFAOYSA-N 425.453 0.759 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 778440260 CNHAIYPTQLIZOH-UHFFFAOYSA-N 426.495 0.685 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)C1CCN(c2ncccn2)CC1 779510524 AOALYKOGJBGVQE-HZPDHXFCSA-N 442.501 0.545 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 784134440 SRMXKAKGPRBXSB-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD CO[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 790959686 QWUIHLQOVUOYHQ-CYBMUJFWSA-N 432.458 0.734 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccc(F)cc1 792016162 NNHKSSQUXAVRSB-KRWDZBQOSA-N 431.342 0.984 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1Cl 793050888 QWKKLDCVRPNCLU-UHFFFAOYSA-N 433.852 0.988 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(OC)c(C)c1OC 797093018 MAUXRUBRENSCDF-UHFFFAOYSA-N 441.444 0.997 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncccc1F 804217058 QQYLMJUWDGYJOJ-CQSZACIVSA-N 430.483 0.446 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 809161056 RKSDNFRZRWJXCC-UHFFFAOYSA-N 434.470 0.942 50 20 ICGD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779570 LMAMOYRFZYRLCR-CXAGYDPISA-N 449.483 0.904 50 20 ICGD Cn1c(CCC(=O)N2CC[C@H](B(O)O)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 864234569 SVYPNCAPIGSMTC-HNNXBMFYSA-N 448.354 0.756 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 916255749 URSSZOCLYAEYFF-UHFFFAOYSA-N 449.489 0.255 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnn(C)c1)N(S(C)(=O)=O)CC2 917211977 QPGSYKRBVHUPPJ-MRXNPFEDSA-N 435.506 0.837 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)NNC(=O)c1cccs1 919542229 LXSMXWIUUYPNDR-UHFFFAOYSA-N 449.466 0.673 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1779035912 QJDUWJDZTNJCHC-MLGOLLRUSA-N 435.388 0.331 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779398903 PRYRYJFMVHJGOC-MLGOLLRUSA-N 432.702 0.887 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@](C)(Cl)CCl)CCO4)CC2)CC1 1781107813 AZCKEBORCPMXFF-MOPGFXCFSA-N 447.407 0.833 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111651 OIEHFHHHIPWQTH-QAPCUYQASA-N 443.386 0.380 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1781904999 IVMAKISKCVDHCB-KYZVSKTDSA-N 430.343 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)C(C)(C)C)C2 1782210506 XEADQXFQVJUUKU-FYINFDKHSA-N 426.558 0.280 50 20 ICGD Cc1c(F)cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783733494 ZIDZSMIVXGDKGA-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938382 WXZQVIZHDSAVTO-IIBYNOLFSA-N 433.509 0.052 50 20 ICGD Cc1ccc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784430368 ZKCUJPWESWJUPF-DORXLWPQSA-N 440.330 0.893 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1788763257 BLZAXCSGFDSAOT-IHRRRGAJSA-N 435.557 0.020 50 20 ICGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791307562 NUDXXPZSPPZEJQ-WJTVCTBASA-N 427.336 0.771 50 20 ICGD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc2c[nH]c3nccc-3c21 1792980453 IXYJXFKPELGQIA-RMHZUWNSSA-N 445.907 0.809 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1)c1cccc(B(O)O)c1 1794092436 CNJIRHFNTAHDSP-NYUBLWNDSA-N 436.273 0.458 50 20 ICGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)cc1 1795322642 KBYWGTVOOCMZHE-DLTLXFJOSA-N 432.901 0.893 50 20 ICGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796887794 UZKSBSXBVHOQLB-BTTYYORXSA-N 436.372 0.835 50 20 ICGD CC1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798439687 WYKBFPDRVMCVSR-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc2c[nH]c3nccc-3c21 1798478797 IAZKHTBLCWYISQ-RMHZUWNSSA-N 445.907 0.809 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1C(F)F 1798677293 SCMHHZGDINUTHC-FVCICTRLSA-N 442.467 0.163 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)[C@H](F)Br 1799347519 PBKGDBKAKMGCMS-QEOTZNIISA-N 440.313 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1800978638 XYBXPKRLQJZWNW-UMPJEAMMSA-N 436.900 0.198 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3[nH]ccc3s1)C2 1801011737 ZOEBKFVXHNEXCD-DBWKPXFBSA-N 433.534 0.806 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 1802072141 LLKSXWDGGIFCAB-YGADERNFSA-N 431.493 0.137 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803139523 QIBRXJOFNBBHJN-IWCQGFGOSA-N 437.953 0.714 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806125074 RVLZBHWVUWBKLC-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1813276716 QAMWZBLKOWVJLZ-JTSKRJEESA-N 441.536 0.816 50 20 ICGD CNCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401832 BRUWRFXZERWLNQ-INIZCTEOSA-N 428.497 0.714 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1820160132 FXDLHNGQJZZHRO-GXSJLCMTSA-N 439.570 0.505 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1826004641 PVQLLJNRDVIEAF-QWRGUYRKSA-N 425.898 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](N)c1ccccn1)CC2 1826085429 TVQANWNDCHGADT-KPZWWZAWSA-N 445.549 0.523 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1830537639 LQOYUSYWLASLNZ-GUYCJALGSA-N 427.299 0.578 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832723715 WJRGFDPHTAGAJE-KXBFYZLASA-N 446.331 0.988 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832812527 AKFPDSHWTBEVKA-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD CC(C)c1csc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833280775 HDJYXKPVDLBROY-KDOFPFPSSA-N 431.942 0.936 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833509765 XIWKYWSRQNNDIW-MLGOLLRUSA-N 447.261 0.246 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cscn3)CC2)CC1 1834222042 YGVBRQTWTZRHGT-UHFFFAOYSA-N 436.582 0.701 50 20 ICGD CC(C)CC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834414052 WYMWRJOXOOZCLQ-UHFFFAOYSA-N 430.553 0.916 50 20 ICGD CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798079 ROCPZXWAMSQBKI-FQEVSTJZSA-N 447.410 0.506 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835506780 JDGPJPMGGVSJAF-JTSKRJEESA-N 441.381 0.988 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1835835353 WQAGRXMHIZLMNM-INIZCTEOSA-N 438.645 0.936 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1 1836360917 WHULYTVNGOJVSG-OXJNMPFZSA-N 425.913 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873611 COHXPNVZBVMEST-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836908942 MZNNFVSELNVMMU-VBKZILBWSA-N 436.896 0.887 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838280731 SJHNOOGBOSVGIZ-RDTXWAMCSA-N 429.926 0.473 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839143486 WYMABKXELRDQJZ-ACJLOTCBSA-N 430.864 0.870 50 20 ICGD O=C(c1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197544 AQAIQBKQHBCRPP-BBRMVZONSA-N 432.246 0.548 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839964026 CYRWNJCIBHBGTA-KDOFPFPSSA-N 448.358 0.389 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840031964 HZHAKVFATBKUMC-YVEFUNNKSA-N 429.267 0.493 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840036508 MGBIQKVXUHOPML-ZURLZEQWSA-N 431.327 0.794 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840156689 XIQPFGIJDWVBEZ-CKIVDRAYSA-N 444.912 0.040 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445603 BYMAGBNGCGDRPR-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2n1 1843014299 VMGVTPYAAKTZMO-UHFFFAOYSA-N 434.261 0.382 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2c1=O 11553340 MXSVOPFLBHVYRK-UHFFFAOYSA-N 429.458 0.863 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 16233182 URWACUQFZTTZQF-UHFFFAOYSA-N 437.547 0.986 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NNC(=O)c2cccs2)CC1 17523744 FBJPJRWHDXUUGE-UHFFFAOYSA-N 441.535 0.511 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1cccs1 725958061 YJBZGJUBYXXEMQ-KGLIPLIRSA-N 435.433 0.467 50 20 ICGD COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 727100353 QXTWEPSCROIKAD-SJLPKXTDSA-N 445.497 0.748 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 728846483 NZJZUVBSLFJEFD-UHFFFAOYSA-N 448.461 0.466 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731761522 QAVJIWOCMSEQKX-CYBMUJFWSA-N 430.502 0.432 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 740851318 YTEGQJBCWSUWEQ-UHFFFAOYSA-N 428.511 0.668 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)N[C@@H]1CCS(=O)(=O)C1 742577018 KOUJLNCQSNWFGU-VXGBXAGGSA-N 438.535 0.425 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc2c1OCCO2 742588306 CPDZHAAWQXATBN-QGZVFWFLSA-N 444.396 0.611 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OC(F)F)cc1C 743433968 PNMLFOPEXOEILK-UHFFFAOYSA-N 427.433 0.940 50 20 ICGD C[S@@](=O)CCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 745846905 CKRFESKXJRXKQU-SSEXGKCCSA-N 427.490 0.711 50 20 ICGD CC(C)C(=O)NNC(=O)C[C@@]1(C(=O)NNC(=O)C(C)C)CCN(C(=O)OC(C)(C)C)C1 746095994 LQOFWSKIRIFUMW-FQEVSTJZSA-N 441.529 0.611 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)c1 746299312 DDUVAJFYXBWZNH-UHFFFAOYSA-N 435.444 0.888 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCN(CC(F)F)CC1 747309603 LAJKTHLLAQMYQJ-UHFFFAOYSA-N 432.497 0.962 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1csc(N(C)C)n1 747492167 KAZFMSZRGJVPOW-UHFFFAOYSA-N 425.540 0.955 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(C(=O)OC)cc2OC)c1 757179853 NLOHIBWTTOKTFX-UHFFFAOYSA-N 426.451 0.492 50 20 ICGD COc1cc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc(OC)c1 758844391 FGQSGWSCFPVAKY-HNNXBMFYSA-N 442.476 0.642 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C2(C(=O)NNC(=O)c3ccc(C#N)cc3)CCC2)cc1 762168567 RYKFUHTZOTUMGU-UHFFFAOYSA-N 430.424 0.822 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(Cl)c1 762539032 JMESLCJLZFGGFU-CVEARBPZSA-N 429.926 0.769 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1 763508521 NQQHIIVGVGMRIW-UHFFFAOYSA-N 445.501 0.883 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cc(C)oc1C)CC2 763577617 XXQINUBQWGWVBZ-UHFFFAOYSA-N 434.474 0.545 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1S(C)(=O)=O 763680097 CEWQXCREKIPLPL-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 763695159 PJTQDNGFVDCPNS-UHFFFAOYSA-N 440.865 0.413 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763826165 WXDOKUKZWCBQGA-UHFFFAOYSA-N 447.517 0.612 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)CC1 763992850 JVUQTOUNCABAIQ-UHFFFAOYSA-N 440.504 0.131 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764166498 LZLGEKSMBKFNKZ-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)C1 764167497 GXALITQRGFBYBC-QGZVFWFLSA-N 427.461 0.846 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 764202148 LZBPAQLZFQWISL-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 764397416 IWYVPFJABHOBBF-ZDUSSCGKSA-N 432.481 0.702 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 766668965 AOYFHBVXFPOSKZ-OAHLLOKOSA-N 444.469 0.464 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 768413706 VDZYPTIPAUHYGX-UHFFFAOYSA-N 441.554 0.860 50 20 ICGD Cc1c(C=NNC(=O)N2CCOCC2)c2ccccn2c1C=NNC(=O)N1CCOCC1 771884863 RAZQGXJCFVKHBN-UHFFFAOYSA-N 441.492 0.999 50 20 ICGD COC(=O)c1ccc([C@@H](NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F)cc1 776024018 YOYHMWKJYBDCBR-LDYMZIIASA-N 440.400 0.345 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1Br 776323494 VWXIMVYRDNNAOR-JTQLQIEISA-N 449.327 0.778 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777779954 URXSNAHUKCZBCX-UHFFFAOYSA-N 439.353 0.920 50 20 ICGD NC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccs1 777838167 SLPOHNAYWLEOON-SNVBAGLBSA-N 439.357 0.674 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)[C@@H](C)O)cc1 779522532 UFJXFNQEBHSNJE-CXAGYDPISA-N 445.501 0.413 50 20 ICGD CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783425131 BFZGNBSQBPQORD-IBGZPJMESA-N 440.522 0.848 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(=O)NC(C)C 784005100 ONRYPAUXQBFOKC-UHFFFAOYSA-N 445.501 0.711 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N1CCN(C)CC1 788165610 DFWXORDORPGPOH-HNNXBMFYSA-N 436.538 0.272 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1OC 796992403 QCMJVVYLEDAXDQ-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NNc1ccc(-n2cccn2)nn1 799672049 ZIGCSHZCWXQGBN-UHFFFAOYSA-N 438.420 0.545 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)COc1ccccc1O 801691488 UMAUNMKVPQWOPO-UHFFFAOYSA-N 430.460 0.193 50 20 ICGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nnc(O)c2ccccc12 806273063 OTOMMHGHUBGFTC-CYBMUJFWSA-N 447.448 0.943 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 806564648 SMKYCIAMVHRNJI-SNVBAGLBSA-N 427.361 0.361 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 808080254 BUJJXUFUNSFIPG-SSDOTTSWSA-N 435.377 0.404 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 812692252 MVHQAMNJEHQTRZ-UHFFFAOYSA-N 435.440 0.211 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814652251 VDRDFMZOKJPYCS-JSGCOSHPSA-N 443.464 0.375 50 20 ICGD CCOC(=O)Cc1csc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 875383628 JCDDGLLSTJPTAW-UHFFFAOYSA-N 430.446 0.962 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914970043 VUTJKAXUCFXLLY-SNVBAGLBSA-N 432.311 0.310 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n[nH]2)cc1 917178332 HOMYIWQULDHTSM-HUUCEWRRSA-N 445.501 0.182 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917717010 JMHRGPBKMXMGAD-HNNXBMFYSA-N 426.472 0.548 50 20 ICGD CC1CCN(c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1 919886156 QUBDCEPOAAHBNP-AWEZNQCLSA-N 439.494 0.962 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c1 921295566 TUMGAKGTNNPPGS-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD C[C@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1 1329073141 LHBJRXNPDLUAIC-OAHLLOKOSA-N 427.546 0.932 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1779037167 SHGSGEBFGAEHDA-NRFANRHFSA-N 443.435 0.287 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCC=CO1 1779343363 SYKPDGTXMPDUFN-NNMXDRDESA-N 428.294 0.187 50 20 ICGD CCOCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779375683 RBSJZEQYBIFYBM-DYESRHJHSA-N 433.509 0.239 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780774583 DUQNLLTYBNRNPN-GMIGKAJZSA-N 434.306 0.882 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782178659 CIMBLULUMZWRBN-HBUWYVDXSA-N 434.990 0.238 50 20 ICGD CCn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cc1C 1782212149 KACXJXJLGSBNBJ-XMSQKQJNSA-N 448.568 0.712 50 20 ICGD C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)C(F)(F)F 1782213434 RAAGOLYDVKCZDN-RDTXWAMCSA-N 434.459 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782224951 ZCPOASKCVFKRON-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782674082 ZPCKFNDYTPJKPH-BXTJHSDWSA-N 438.912 0.284 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21)[C@@H](O)CCl 1784092740 VHBDOYRRVPYBDX-DKIMLUQUSA-N 433.896 0.460 50 20 ICGD C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784494739 BTVXABJELFNUDD-SNRMKQJTSA-N 445.520 0.261 50 20 ICGD CS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143663 KXAUFQPDGHYNCI-UHFFFAOYSA-N 430.291 0.159 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cccc(=O)n3O)CCC2)cc1)c1cccc(B(O)O)c1 1788146037 WFJPAKRJOABHPY-UHFFFAOYSA-N 447.256 0.827 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788716245 WXDDVTFVOUIFOD-XIRDDKMYSA-N 434.569 0.851 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789867873 KRIFFMIMLFWLQB-PYXYIPKBSA-N 443.393 0.883 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791054378 DLPFVGRKJNWICG-MBWOQVIGSA-N 428.327 0.608 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1791255024 AILDZSGGOYVLFU-QXKUPLGCSA-N 425.917 0.511 50 20 ICGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792785539 DFOGXPRBQDFYHC-ALXJQNPVSA-N 434.961 0.911 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccccc1 1792940841 AGTPCAVLSZYLFT-MNYXPOPXSA-N 449.935 0.702 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2nccnc2c1 1796191423 JKTZEGJNIRDWGF-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)(C)C)C2 1796440442 LXJVTKIXGHXGGF-FJABVQHVSA-N 432.525 0.098 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)[nH]n1)C2 1796441675 ORQYEFSFPQRNIQ-NDMOTNCASA-N 427.465 0.055 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCN3C)C2 1801011124 FJBLTHBYDDYQPA-OPMZPASUSA-N 443.548 0.255 50 20 ICGD Cc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1F 1801012376 WNFQYNHPLORGMD-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806002881 KEQIWDIRXUDCGM-INIZCTEOSA-N 427.505 0.568 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806105719 BCVAFQFJNMRDQM-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364021 RVWPIRMQBPCQCO-GHTZIAJQSA-N 448.263 0.929 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1808407490 AIRQJFKGTSPAJO-HQXJNDRVSA-N 440.504 0.992 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813598992 BIWQJDUSDDZVMO-GCJKJVERSA-N 432.569 0.801 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1(O)CCC1 1815347562 DGEKERVMCBEVBQ-DOMZBBRYSA-N 443.334 0.600 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819401724 PLJOKIAADMGXQI-ZIAGYGMSSA-N 435.872 0.314 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2 1819796749 DGCDZXZRKAYREP-MXWKQRLJSA-N 430.490 0.138 50 20 ICGD Cc1ocnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798057 SNEKSYDCDFHCQS-JTQLQIEISA-N 441.473 0.978 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820872793 OIUDJCXOSIFJEI-CQSZACIVSA-N 437.290 0.461 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)NC=O)sc2C1 1822892762 ZNRYQINARXUPNP-GGCJDZGJSA-N 445.505 0.324 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085785 CTDVFNICTZZVGJ-WCQYABFASA-N 438.554 0.295 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C(F)F)n1 1830727934 KWXSASCAQRMUMM-PXAZEXFGSA-N 436.843 0.027 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728948 ZEQFTTLPBBYNRI-WIYYLYMNSA-N 448.907 0.542 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831876342 JSLCCYDJHOSUKZ-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD CN1CCC(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833130688 ZCNILFWIYPIRBP-IBGZPJMESA-N 429.005 0.890 50 20 ICGD COCCn1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n1 1833310232 DQMTZRPSSLOHBE-SFHVURJKSA-N 441.960 0.314 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797376 HJFDUSQSLNDBSO-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD CC[C@H](C)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799882 KRCDUFPHRCLNJP-KRWDZBQOSA-N 429.370 0.988 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457317 OWESPHAWTPJZSD-DJJJIMSYSA-N 437.884 0.282 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717106 IHVLMCRSNIPRAI-KRWDZBQOSA-N 440.928 0.878 50 20 ICGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)O1 1836903142 VFLIXGRLDIADOL-STQMWFEESA-N 436.278 0.784 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836922481 NLLCCAPPQLCXMR-INIZCTEOSA-N 445.944 0.936 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919142 JHZKHUMBILBLQE-FOCLMDBBSA-N 430.310 0.529 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838640442 FXVIHSSVXLGZAM-IAGOWNOFSA-N 433.292 0.076 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)c1 1839023722 ZDANUQJOPCNEHD-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199178 RTHNFEUEHWFFJP-VBQJREDUSA-N 436.322 0.618 50 20 ICGD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839744185 SUQYLMGMYOHXTR-XTVULVGKSA-N 435.427 0.709 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840150455 LETWDCUZGJBDDS-OXQOHEQNSA-N 441.912 0.343 50 20 ICGD O=C(CCBr)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057435 MELOMHPHZIPMEL-LLVKDONJSA-N 439.310 0.981 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN)C(C)(C)C 1847704650 BQVOOTPFVQBUNT-ULQDDVLXSA-N 430.509 0.051 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848216751 JEDOIRJQYFUDNX-JYILRKAJSA-N 439.310 0.978 50 20 ICGD Cc1nnc(NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)nc1O 24505080 BSDPSGAPWWNCPD-LLVKDONJSA-N 442.885 0.753 50 20 ICGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 28195560 RQWLTVBYCSTESM-UHFFFAOYSA-N 448.501 0.930 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCN1CCN(Cc2ccccc2)CC1 725872086 AMVJQKOUMRNNDH-UHFFFAOYSA-N 444.561 0.626 50 20 ICGD COc1cc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)ccc1C 725872618 ZOPDQWICVKFEDA-UHFFFAOYSA-N 443.460 0.525 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 728203771 NLBKUUHROUIUIA-HIFRSBDPSA-N 431.942 0.990 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728890754 ZMYHQIAOFUWTFF-UHFFFAOYSA-N 432.506 0.916 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cn1 729691803 BIHZUZFYEBJZPJ-FQEVSTJZSA-N 440.485 0.801 50 20 ICGD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 731214710 WUOYBMIWWDQZRF-VQIMIIECSA-N 433.528 0.899 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1Cl 732286904 KRHSLNKQRHVBIM-UHFFFAOYSA-N 433.690 0.896 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1=O 733131968 VXUPGSPGDIMDRJ-HOTGVXAUSA-N 436.534 0.184 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733350204 RVVZXBHLBRAJED-UHFFFAOYSA-N 434.522 0.973 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1 742036930 RAAZHZPPEGJPLS-MRVPVSSYSA-N 447.315 0.256 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccon1)N(S(C)(=O)=O)CC2 747206676 JXQKZPXGKUVMPX-CQSZACIVSA-N 438.462 0.402 50 20 ICGD O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 748640305 MDMJEPUTVAYRME-UHFFFAOYSA-N 426.476 0.230 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 753729745 HQLDQDLMINJNRS-INIZCTEOSA-N 446.533 0.620 50 20 ICGD C[C@]1(c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cc2)NC(=O)NC1=O 754525015 NUCOGWLHKQJAAQ-OAQYLSRUSA-N 435.396 0.231 50 20 ICGD O=C(c1cncc(N2CCOCC2)c1)N1CCN(S(=O)(=O)CBr)CC1 758517326 JAPODNRMODLFIZ-UHFFFAOYSA-N 433.328 0.358 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c1 763619374 VEMDSIRFYPTFGD-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763680478 FZVVFIWDRXFESX-UHFFFAOYSA-N 449.485 0.795 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 763682942 RUDAHPHNFYYRNT-UHFFFAOYSA-N 445.375 0.987 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763808789 QQXOVZIDZSIUER-UHFFFAOYSA-N 439.428 0.190 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1 763860695 KPKXZBJQUNNEEC-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1 763872987 QLGSCIVSURBVCG-CYBMUJFWSA-N 426.429 0.470 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764168843 RJJJFVNHIMFGPD-GOSISDBHSA-N 428.420 0.752 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)ccc1F 764239494 NJIKCRVUQJPOQD-UHFFFAOYSA-N 436.407 0.851 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)CC1 764286254 QSJREZNVTLCIIJ-UHFFFAOYSA-N 433.900 0.534 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1 765398697 MFRPLANXNNQSRM-HYARGMPZSA-N 439.494 0.994 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 766663612 KOMLBGSLIZCDCR-MRXNPFEDSA-N 433.940 0.616 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1 767276800 IEMFSMZASNQFJK-UHFFFAOYSA-N 437.449 0.346 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 772160086 MVQLCMWUCXWKDL-CYBMUJFWSA-N 441.506 0.287 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C1=O 772205579 BHKRZYYPFSSUPM-ZSEKCTLFSA-N 448.476 0.587 50 20 ICGD CN1CCN(c2cccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)n2)CC1 772884029 HMXSCKBHSMAVHL-UHFFFAOYSA-N 430.896 0.564 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1F 773889365 NPZBYNICLDJQNZ-UHFFFAOYSA-N 437.449 0.957 50 20 ICGD COc1ccc(-c2ccncc2)cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 774398450 XXDUYVVNHDDTNO-UHFFFAOYSA-N 447.455 0.655 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 777912778 YGNDYIZYRLLAPE-UHFFFAOYSA-N 426.476 0.640 50 20 ICGD Cc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 780380617 UABIQMGYWUSXLU-SNVBAGLBSA-N 426.314 0.437 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC=C(C#N)CC3)CC2)cc1 780688268 BEVSOKOLFZEMHN-UHFFFAOYSA-N 446.529 0.991 50 20 ICGD CNC(=O)[C@H]1CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 781715834 FSNKKZAPVBOSHM-GOSISDBHSA-N 428.445 0.478 50 20 ICGD O=C(NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)C(=O)Nc1ccccn1 782556410 QFCFQFNAZAFPIN-UHFFFAOYSA-N 431.352 0.743 50 20 ICGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782896408 IBOOZMHXQFIJSK-UHFFFAOYSA-N 428.474 0.868 50 20 ICGD N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 782968246 ZLROWVKUNUTTSR-UHFFFAOYSA-N 435.440 0.696 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cnc2n(C)c1=O 783291527 QMNSSLKOCIWYTF-UHFFFAOYSA-N 447.795 0.276 50 20 ICGD CSCCNC(=S)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797748111 GWIVEZKGKQHKEC-MRXNPFEDSA-N 432.593 0.300 50 20 ICGD N#Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 799918638 VJEOTECBBBNBSP-VIFPVBQESA-N 426.398 0.257 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 804958707 JKIRDZCYVHJMNR-UHFFFAOYSA-N 425.430 0.726 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806973610 FIPKYMMKUVATHG-UHFFFAOYSA-N 436.783 0.975 50 20 ICGD CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691942 GEBAPLFAGGEWDF-LBPRGKRZSA-N 428.449 0.582 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)c2ccccc2c1=O 816806039 QFPXNYCLFGRTHX-UHFFFAOYSA-N 449.876 0.943 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914996848 UELAACALUNWDGF-CQSZACIVSA-N 426.385 0.952 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916646589 BIOZRNBYJQEHOL-UHFFFAOYSA-N 444.477 0.057 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O 917358888 XZBKYXRNIYHESU-UHFFFAOYSA-N 428.264 0.894 50 20 ICGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 918084899 KSWDOPUSVJKARB-AWEZNQCLSA-N 427.527 0.251 50 20 ICGD O=C(NCc1cccc(CN2CCOCC2)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 918223537 ITIDIFJMVOQTHO-UHFFFAOYSA-N 436.476 0.639 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 918717687 ZFTNXALEQWNPOD-UHFFFAOYSA-N 438.513 0.642 50 20 ICGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)cc2S1(=O)=O 919582057 FJTACIRINFAVIW-UHFFFAOYSA-N 445.453 0.777 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 920239878 GVWMXIJBTAUBDA-KBPBESRZSA-N 428.511 0.607 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cn4ccccc4n3)CCO2)C1 1779030819 XRFPNWOCOCJUAJ-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccccc3)CCO2)C1 1779030971 LHDXPOMPNSQYKZ-HSZRJFAPSA-N 437.500 0.761 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C(F)F 1780305618 ZRARXCUKJOTRBQ-FQEVSTJZSA-N 448.235 0.024 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCCN1C)C2 1782210494 WRVYMQDSGXPCCN-NJNPRVFISA-N 437.585 0.358 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783752197 FNRCCORLYWFTEQ-KSSFIOAISA-N 430.343 0.860 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c12 1783936106 DCLSOJVYGMWTOQ-QFIPXVFZSA-N 442.520 0.688 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(-n2nccn2)c1 1784090756 ABAXSGBMWVTIFK-CBVHJVASSA-N 447.923 0.769 50 20 ICGD CC(C)n1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1C(=O)O 1785715115 MCIYHIJBXKHLSU-APYUEPQZSA-N 442.900 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3O)[C@H]2C1 1785806189 RLPDBUXTEOGNCC-IXDGSTSKSA-N 439.472 0.298 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979901 YIITYZIIIPTPBF-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984854 QVRRGFFYMHEDKW-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791288555 DSOFWJZAHFSMTG-MPGHIAIKSA-N 435.525 0.764 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793204413 JJTLGTFKYDDBTE-BFMVXSJESA-N 449.935 0.224 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(F)cc1F 1793812156 DLUURCSTJDTTIB-CLLJXQQHSA-N 430.415 0.924 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1794005251 QTAAVSKMDFWNGC-OTMMVIPVSA-N 434.222 0.071 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn(C)c1=O)C2 1796890706 GKPXRRGALIHVMM-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c([N+](=O)[O-])cc1O 1798594098 PWDJTIUEKFCUKO-UEVPNFDOSA-N 443.840 0.112 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803002692 XXEUFXJXZQMWLS-JCGIZDLHSA-N 426.477 0.171 50 20 ICGD Cn1cccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805351197 MSJHLSKWABFMGT-RXVVDRJESA-N 432.289 0.733 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1806123172 SQKZCPCUDHUESF-IIBYNOLFSA-N 441.488 0.727 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366958 WIOHHDFGVDOLRJ-RXVVDRJESA-N 425.294 0.508 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n(C)n1 1813069743 BBRDJSIRPKXKDV-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1 1813070194 DVZKXDBRTXGJIN-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1813072467 AETBBVAGXUAZAD-HXWOHKMSSA-N 431.493 0.491 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815106724 HWJFBEBBOOAYFC-DZGCQCFKSA-N 435.529 0.690 50 20 ICGD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cnn1C 1815355597 WYNQCRZEBFOHDI-CQSZACIVSA-N 439.306 0.404 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815361854 SOUCGWXPPOFECI-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)Cl)CC2)c1cccc(B(O)O)c1 1815361977 WYVDUYLEMVHVFX-JTQLQIEISA-N 429.641 0.880 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178818 LCGPXJJQHMWRFT-KBMXLJTQSA-N 437.990 0.534 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1ccnn1 1824695160 NIHGCCWUTXASJE-NEPJUHHUSA-N 434.526 0.281 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C1 1827052561 OJMSHWAZXQIMQP-IRLDBZIGSA-N 441.381 0.942 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731777 OWAGFMIWATWTHR-KXBFYZLASA-N 439.921 0.966 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033096 MRBSJSNZVGSTQI-AUUYWEPGSA-N 443.953 0.952 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834424391 YKARUPMXTSPNSE-ZDUSSCGKSA-N 431.375 0.868 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1834777734 KHMZXCXLCXGWCM-QCDWJNCCSA-N 447.326 0.736 50 20 ICGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836043544 CXNBCHITEUCRPD-ZFWWWQNUSA-N 436.303 0.833 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837710314 UQWTVNHBVDPRCR-HXUWFJFHSA-N 437.569 0.768 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837712014 YZYHKRHHEXGJHA-HXUWFJFHSA-N 427.618 0.780 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837754438 XYAAYDNJQMUSGR-XIKOKIGWSA-N 442.925 0.948 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151027 FVUDAOHYKDTUHN-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)c1ccco1 1839198389 CZLGWMAOLGWFAV-CJNGLKHVSA-N 433.230 0.609 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839965193 QGEVIGFWOJIPSU-CRAIPNDOSA-N 443.342 0.891 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840031236 JGISUMPAWJHTCK-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012457 QGWDJITXOXHYKX-CQSZACIVSA-N 431.298 0.097 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013135 NJVMXCGCYAMNHO-LEWJYISDSA-N 434.301 0.996 50 20 ICGD O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153815 CEFRLGOMJXISMM-MRXNPFEDSA-N 436.875 0.917 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)/C=C2\C(=O)Nc3ccccc32)C1 1844209742 GUEPZRGHAJORGS-VBKFSLOCSA-N 425.489 0.599 50 20 ICGD CC[C@@H](NC)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038642 CACLPDGQOGSPGQ-GOSISDBHSA-N 430.553 0.534 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846070173 TYCORVLHYVFTLK-NSHDSACASA-N 445.339 0.829 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1846561292 LSVJDGROMDIHIQ-OLZOCXBDSA-N 430.278 0.351 50 20 ICGD O=C(NCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1846956304 HFERUDSHECIVKC-UHFFFAOYSA-N 435.289 0.004 50 20 ICGD CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 14870765 CPIGSHIMCMPIMS-VIFPVBQESA-N 441.325 0.592 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)c1 27205921 UWHCEHQRLXHLHY-UHFFFAOYSA-N 446.529 0.837 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc2c1=O 45678517 BXPGGOKPUXAHMW-UHFFFAOYSA-N 443.441 0.864 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)NCc1cccs1)C(=O)N1CCCC1 725712988 LAVAHKFZVIHUPJ-UHFFFAOYSA-N 442.544 0.672 50 20 ICGD CC(C)(C)c1noc(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 728328177 PQPQJTVDHUUDHR-CQSZACIVSA-N 432.433 0.830 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3cccc(C#N)c3)cnc21 728825426 AOBCYGWZOPMLQD-UHFFFAOYSA-N 430.222 0.225 50 20 ICGD O=C(NCCN1C(=O)c2ccccc2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728961263 DYPMIZCWLLQUSP-UHFFFAOYSA-N 437.460 0.320 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)COc2ccccc2OC)c1 729297778 WRJCZGUPHHXEFX-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cnc21 730077395 WJUCQPXITZVDSC-UHFFFAOYSA-N 430.446 0.232 50 20 ICGD CCOc1c(Cl)cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 730571795 UCWWUIYOZWYLMK-UHFFFAOYSA-N 441.897 0.782 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C[C@@H](C)O1 732260037 NTPFBJHAOWEABN-GASCZTMLSA-N 441.488 0.270 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 733125418 GVYFSWSHONILFQ-GJZGRUSLSA-N 440.504 0.027 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)Cc1cc(C)no1 745996048 KDPCJZAAKFFVSW-UHFFFAOYSA-N 438.462 0.652 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748517947 AFCVSXHOZXPXLF-CYBMUJFWSA-N 436.412 0.550 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C(C)C 753841789 UUDMRMOJJUJFGT-ZDUSSCGKSA-N 427.527 0.573 50 20 ICGD O=C(NNC(=O)c1ccoc1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755533302 IMMZDVIAWFGBNR-ZDUSSCGKSA-N 442.475 0.212 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(Cl)c1I 758033984 DHMPPJALDREUME-YFKPBYRVSA-N 446.654 0.038 50 20 ICGD O=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)CBr)CC1 758534203 DQHAAMURBQGWAF-UHFFFAOYSA-N 433.328 0.358 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)C(=O)Nc1ccccn1 758909475 ZGMBOMXIUVPAMO-UHFFFAOYSA-N 425.854 0.190 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)[C@@H]2CCNC2=O)cc1 760103025 AWLVNNWYQBHXSK-HAZIXKIPSA-N 436.472 0.688 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1 763465897 FFJDZYGJZVYUQU-UHFFFAOYSA-N 433.490 0.902 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 763527929 QPYGPPBKCUGFJC-UHFFFAOYSA-N 442.453 0.853 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570595 GTVSLVGQKXTHLC-SFHVURJKSA-N 440.456 0.998 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)o1 763682719 YUZXELYLISTSKJ-UHFFFAOYSA-N 449.427 0.839 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 763727186 GREJFJDSHGEPPO-KGASDJBWSA-N 440.500 0.890 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)o1 764139379 UTUARNVKHQPZGF-UHFFFAOYSA-N 444.427 0.636 50 20 ICGD Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764228668 ZOIFDRJRWCOPAU-NSHDSACASA-N 430.552 0.909 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764379733 IJVVERLRGLTTNP-UHFFFAOYSA-N 436.371 0.569 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 764398498 SUNIXUZPVLAICR-CYBMUJFWSA-N 432.433 0.978 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)c1=O 764410149 HOJFFAWKHILCCY-UHFFFAOYSA-N 438.799 0.604 50 20 ICGD N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)cc1 764427444 ZXQZPDVUNBVMRO-IBGZPJMESA-N 438.440 0.833 50 20 ICGD COc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC(F)F 764812924 SQSMUYWQOHPUKL-UHFFFAOYSA-N 436.375 0.194 50 20 ICGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766664607 SCJSIRQAQMFIPD-OAQYLSRUSA-N 435.956 0.864 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768240400 WCTDVDGALBHGGH-MRXNPFEDSA-N 433.428 0.629 50 20 ICGD CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772187759 DBQIAVWLZRVPAB-MRXNPFEDSA-N 431.880 0.953 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1 773500144 QZGKAUJMGVNFJJ-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COCc1ccccc1 777629127 CMTPUYYVNJHXDL-UHFFFAOYSA-N 427.504 0.511 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)ccc21 782830760 LJDFWFQLHIOUJZ-UHFFFAOYSA-N 426.429 0.718 50 20 ICGD O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 784807317 UUCKHTOGDISCDV-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD O=C(NNc1ccnc(Br)c1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 784829112 WZPMMSPQSASQNB-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1Cl 788480077 MGIJKQPSSMXSED-ZETCQYMHSA-N 445.928 0.176 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 790386544 YUZQOXMIOPJVSA-MRVPVSSYSA-N 429.289 0.641 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2)o1 792811942 PWWDTCMHHHCYJM-UHFFFAOYSA-N 435.444 0.779 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c(C(=O)OC)c1C 794599509 HOCXYFOULUEZJK-UHFFFAOYSA-N 427.460 0.956 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nnn1Cc1ccncc1 794763966 OLBAFUJQHXTNSW-UHFFFAOYSA-N 443.489 0.355 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ncnn2C(C)(C)C)cc1 800742816 ICKYZBRLNINGKX-UHFFFAOYSA-N 437.526 0.493 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978936 JLDCBFHWJYWMNL-LSDHHAIUSA-N 437.456 0.187 50 20 ICGD C[C@@](O)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1 813373052 VRJYAIMAPNPLBI-FQEVSTJZSA-N 439.534 0.339 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 815751473 AOZJHFHXYWMVIW-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 871595618 BXTSTOLIUMSXSN-CQSZACIVSA-N 434.518 0.949 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(-c3ccccn3)c2C)cc1 914748301 UBPCFGIZTMJOAX-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD CCOC(=O)N1CCC(NC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 915878842 MKJORMMGNFNESF-UHFFFAOYSA-N 430.465 0.981 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F 916378277 LMMPGQBWFBOGPN-CXAGYDPISA-N 443.382 0.731 50 20 ICGD COc1cc(CNC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)ccc1OCC(N)=O 916641141 ZDBMUHBSARNNNA-GFCCVEGCSA-N 434.424 0.996 50 20 ICGD COC(=O)COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 918277584 HBMFBJUKEGRRHO-UHFFFAOYSA-N 435.458 0.564 50 20 ICGD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 918398627 ASICWDABXXEBEA-SNVBAGLBSA-N 435.491 0.544 50 20 ICGD CC(C)(C)c1ccc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nn1 1318600318 WRAPJCGCNMASAL-UHFFFAOYSA-N 427.513 0.929 50 20 ICGD CCc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1C 1320823124 SBIOZSFWKDVIIE-UHFFFAOYSA-N 449.533 0.397 50 20 ICGD Cc1ncc(Br)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 1338998671 LBUWMRIISBZTJV-UHFFFAOYSA-N 442.295 0.873 50 20 ICGD Cc1cc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2[nH]1 1777870263 OQQZFOGSFQCITD-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779031955 HZHBFQFPGQIHAI-OPAMFIHVSA-N 427.505 0.875 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037390 ZHIVBYZRKYHNAM-ROUUACIJSA-N 444.319 0.365 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780912575 ZFRRNIGGKQTKCF-SQGPQFPESA-N 441.887 0.433 50 20 ICGD CCC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968840 QNRGEPMIUAGSJI-QFIPXVFZSA-N 445.520 0.142 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331304 IBCSUJDPGLSUNK-LRDDRELGSA-N 429.246 0.541 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[C@H]2CCOC2)C1 1782777464 KWBJUJXZQBBIGD-NJNPRVFISA-N 438.569 0.690 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]3C2)c(=O)nc1O 1783855292 MUVJAVXAXZFDOV-KKUMJFAQSA-N 440.928 0.502 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C[C@@H]21)[C@H](O)CCl 1784085265 DVIJKTOHMKILJR-OBQKDBCYSA-N 435.908 0.759 50 20 ICGD Cc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785912709 IEKHIVNTZXFDEC-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984626 WXZLLDVEKFDRSO-WDSOQIARSA-N 428.319 0.264 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1788565338 BGPBBAFIXCTMNS-QTVXIADOSA-N 447.374 0.847 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788616195 DOZMHDSVOLWTBO-XUXIUFHCSA-N 449.415 0.624 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788974470 HUPUMEIAGHOCMH-RQLFHFPYSA-N 444.448 0.108 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792584137 NXIVZBJDHXJESB-HUJKARHJSA-N 436.321 0.623 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1793112613 OEAZDVZCXCVAFL-XSEPRYCASA-N 435.952 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793380699 CLACNELPYGRDAX-XHPRPZMGSA-N 435.550 0.664 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1ccc(N2CCOCC2)cn1 1794441848 NJALIKBDGBTYGF-RMHZUWNSSA-N 426.876 0.656 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)cn1)c1ccc(B(O)O)cc1 1794783549 BYLMZMXZLWZWJM-MUJYYYPQSA-N 445.231 0.928 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 1795478794 LCWHPHYMQQBMHC-MIFYACCESA-N 440.227 0.302 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1796439451 FUKJCBABSJQXGV-WVNFENISSA-N 441.492 0.066 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cncc1F)C2 1798439871 MKTQLDCRPGFQOF-ZSBIGDGJSA-N 430.415 0.924 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801348867 PNNSDXQYNPQQCG-ZWUHOBOKSA-N 427.299 0.619 50 20 ICGD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801661127 VQFBUQUEJIKZPM-REPLKXPHSA-N 444.536 0.107 50 20 ICGD Cc1onc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1C 1803888956 GRGYABREILCWKC-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)CCBr)CC3)C2)N1 1806847653 UZTRLBQIJUQRNF-GFCCVEGCSA-N 429.315 0.601 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369338 HAROOYUXOYRRBV-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1807528476 JDHYHPHQMWSZCC-IERDGZPVSA-N 443.508 0.395 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807666217 WDLIYCFJCYFVBT-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnccc1F 1807825586 PFPBLYKJNGQQBU-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1C[C@H]2C[C@H]2C1 1809978763 OYSPXOURXOCZLF-RLLQIKCJSA-N 439.365 0.551 50 20 ICGD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815741144 XQAYVHLXDCKDTI-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1823563864 LWWPAXNUKTUBDP-QEVYDEPDSA-N 448.929 0.498 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055576 DIPKHMZINNIHFX-LEWJYISDSA-N 443.353 0.514 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1827060241 CLVOGBFNIFYSIT-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD O=C(CCCc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833054521 WBDVOWUNQGZADF-XLIONFOSSA-N 425.913 0.460 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114952 UPJLXMBHUMCECQ-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833125456 VIYVNGBBCIUPBJ-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833944378 QHRMAJYDLXEVFU-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835079283 RKORXMKUKODUAD-WFASDCNBSA-N 425.954 0.773 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708564 LJUDNOLUPDKTMG-QFBILLFUSA-N 429.590 0.209 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837762560 YYCJSAAVRREKEF-LRDDRELGSA-N 439.818 0.703 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839152214 RCOUYSWDRVTAHD-HUUCEWRRSA-N 427.354 0.306 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198237 XMJSOHSMHABIRE-CJNGLKHVSA-N 433.230 0.400 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842894295 MRRMJQAPQWNNSS-FXAWDEMLSA-N 444.580 0.909 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 108112878 ZJVYCOMHONYZHF-KRWDZBQOSA-N 438.444 0.365 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1OC 728502413 JBGFTOOTQKNFPR-UHFFFAOYSA-N 449.445 0.065 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2c(C)nc3cc(O)nn3c2C)c2ccccc2c1=O 729281556 HFCBOKIEPIHETO-UHFFFAOYSA-N 435.444 0.785 50 20 ICGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1=O 732032548 DCEOSYBBEGCXAV-MRXNPFEDSA-N 427.255 0.939 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c2ccccc2c1=O 732594673 FULNHWQUDZDFLL-CYBMUJFWSA-N 449.471 0.255 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cnnc3ccccc23)c1 733811253 HCBKYOXEWWIRGW-UHFFFAOYSA-N 430.490 0.965 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1 735116792 FZRCKJUPASYFJI-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)COCc2ccccc2)c1 737756030 LYEDNNNNPQRQEZ-UHFFFAOYSA-N 427.504 0.463 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1cccc(N2CCCS2(=O)=O)c1 741162736 CSDZAZUMWZMJJT-UHFFFAOYSA-N 438.491 0.455 50 20 ICGD CCC(CC)[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCOCC1 742034320 XKHXUSTYJFQWAJ-SFHVURJKSA-N 440.566 0.835 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 743319857 LABIUTAUVBVQNR-ZDUSSCGKSA-N 437.522 0.493 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)c1 744394749 JTWSHLBVRXFIEW-UHFFFAOYSA-N 426.521 0.386 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)C(C)(C)C)cc1 745896431 YGBWUVSKTCUAIW-UHFFFAOYSA-N 448.567 0.159 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H](O)c1ccccc1 746101243 SXBFGTQANLQOAX-HXUWFJFHSA-N 447.513 0.521 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 751198799 HLCYBWSUYJJTHM-ZDUSSCGKSA-N 428.401 0.190 50 20 ICGD O=C(NNC(=O)C(F)(F)c1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 756597175 BURCCUNKNUZVPI-UHFFFAOYSA-N 446.457 0.717 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1cnn(CC(=O)N2CCOCC2)c1 756833808 AQAVMTPNJOBVDM-UHFFFAOYSA-N 438.448 0.394 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(N3CCOCC3)c2)c1 756863945 OLPHEIREIGMLDC-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD CSCC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)c2ccccc2C1=O 758834666 PYMHOLJJRAPBTD-AWEZNQCLSA-N 441.469 0.585 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 762523153 DPFIZVFTPANPNW-UHFFFAOYSA-N 426.473 0.679 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2C1=O 763605631 WKXUSENPILCCDE-UHFFFAOYSA-N 432.396 0.702 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 763648732 UQGTVJHAMUUZON-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)cc1C 763667238 SQSPDGVWUVMSKW-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc(OC)c1OC 763803320 LHEWKFUBMWJRQZ-UHFFFAOYSA-N 448.388 0.786 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c2ccccc2O1 763849569 KIAUTVZQAALQAF-PXAZEXFGSA-N 444.419 0.281 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 764233322 UVFAJLGUOPVBGK-SECBINFHSA-N 441.535 0.617 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764276078 YRZBTXCNIFJZDC-UHFFFAOYSA-N 432.408 0.533 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 764372916 XTGCWMXKYPNZFW-UHFFFAOYSA-N 436.446 0.009 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(C2OCCO2)c1 764752763 NYCPGYGYYMJLFP-UHFFFAOYSA-N 438.484 0.951 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)[C@H]1COc2ccccc2O1 764931218 FMTOLVAMHDQZGF-QGZVFWFLSA-N 429.454 0.671 50 20 ICGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765615269 DZQVYVWDJIPDBX-UHFFFAOYSA-N 442.432 0.716 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 766261372 WGTPNBKAJNHJCO-UHFFFAOYSA-N 447.253 0.969 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 766849354 RTCMIYLALPYUJR-LJQANCHMSA-N 429.565 0.704 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 768636967 ZSXBOENTEXOXDT-UHFFFAOYSA-N 446.507 0.108 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 773262379 ACHFZUIBTGZILR-SNVBAGLBSA-N 433.895 0.764 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c2ccccc2c1=O 776314255 IUIYVEKMGMQIFK-GFCCVEGCSA-N 425.367 0.731 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 777753710 YTHOOGXPFUNRGU-AWEZNQCLSA-N 441.410 0.805 50 20 ICGD Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)n[nH]1 777832574 NGOKGYPIYNXZDJ-UHFFFAOYSA-N 445.343 0.867 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1O 777937933 RZYDZLHGTWAMQF-UHFFFAOYSA-N 429.476 0.079 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1C 789939912 QZNBDXQLJZSBTC-VFNWGFHPSA-N 446.504 0.834 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(OC)cc3)ccc2[nH]1 792352684 FZWVPFJYKISVFJ-UHFFFAOYSA-N 439.428 0.701 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc(Cl)cc1C(N)=O 793022291 UBOQQUVRVIRHAY-UHFFFAOYSA-N 434.836 0.921 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794063424 FPBOQRQQCSRRIO-UHFFFAOYSA-N 436.446 0.030 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 799354041 ZFBRYXLGRIYLSZ-UHFFFAOYSA-N 442.444 0.961 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 800694285 AJPOJCLZIHYMGF-UHFFFAOYSA-N 428.898 0.508 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1OC 802595556 LCVDMNMFHNBMJU-UHFFFAOYSA-N 443.865 0.802 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1 805035682 LHLJGFDJZMGTJT-UHFFFAOYSA-N 445.484 0.368 50 20 ICGD Cc1cc(=O)cc(C)n1CCCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 811354221 MZPNGLDBCYSHTE-LJQANCHMSA-N 443.456 0.776 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNc1nc2ccccn2n1 811439885 FIEBHJGZUUJXMR-UHFFFAOYSA-N 425.268 0.913 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 812429542 OZGLZEYAIIBYKG-LLVKDONJSA-N 440.453 0.780 50 20 ICGD Cc1ccccc1C1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1 813488509 XRLMFXYVWAEMHK-UHFFFAOYSA-N 438.488 0.402 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cn2ccnc12 815586523 KXAJNNBMJBGBIF-UHFFFAOYSA-N 431.478 0.806 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2c1=O 824004749 YXDUBCPARTWFQE-UHFFFAOYSA-N 434.412 0.582 50 20 ICGD Cc1ccccc1[C@H](CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NC(N)=O 914338866 AZPYFAMUSCVQDJ-AWEZNQCLSA-N 432.506 0.849 50 20 ICGD CCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 915903439 QEZDMWZDGIYYOL-UHFFFAOYSA-N 439.538 0.136 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC1CCN(C(=O)C2CC2)CC1 916260868 LLWHINADCHHJRQ-UHFFFAOYSA-N 442.564 0.930 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)c1csc(N2CCOCC2)n1 918002148 SLPSVDYDZKMTFA-AWEZNQCLSA-N 436.538 0.572 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1327618688 GVTYYKLBEQHANS-SFHLNBCPSA-N 434.452 0.713 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1777995025 WVIVWZCGYQMRDG-FOIQADDNSA-N 434.880 0.046 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1779033785 DURUNCPAWMZZMT-OAQYLSRUSA-N 427.461 0.354 50 20 ICGD Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCBr)C3)n1 1779242664 XIWSJZRCNUMWEG-SJKOYZFVSA-N 443.346 0.618 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545863 LIHBGKRNRAVGJO-OXQOHEQNSA-N 442.633 0.725 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1 1781685146 FDPAKGMYZNTNLP-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792603 VVJLSESMOWNSMS-JOCHJYFZSA-N 427.505 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ncc[nH]1)C2 1782213933 BEWCPTPUYBZLSU-IIBYNOLFSA-N 434.541 0.229 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1O 1783934408 GDOAJLQUEBKVFD-QFIPXVFZSA-N 448.520 0.607 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1783935652 BFEQNOKREFQLFR-IBGZPJMESA-N 441.891 0.691 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1783974911 WJRQZZBAJDIMGZ-QTVXIADOSA-N 428.331 0.850 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csnn3)[C@H]2C1 1784671796 BRGDRIAARBHOHB-DPHSEWFKSA-N 445.505 0.265 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149178 BZBRKYKHXIUDBH-UHFFFAOYSA-N 447.256 0.039 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788775989 YHQRTYQWDNRYRK-PQKJENKHSA-N 438.352 0.354 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)[C@H]2C1 1790627535 MKJJBFDPVJMRSP-BLYMFVFMSA-N 443.529 0.154 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1791254124 NTDKQDYWKNGGOS-NXOAAHMSSA-N 435.912 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN(C)C(=O)C(=O)O)CCC2)cc1 1791602600 QONDHKRCOFEWCB-UHFFFAOYSA-N 447.492 0.037 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N(C)C 1795903307 XWQNYWYLYNOXDM-BTTYYORXSA-N 432.433 0.860 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cn2c(F)cccc2n1 1796189391 GYURKGMQOMYPGD-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cn2ncccc2n1 1797040689 CXMRDTYLPWEANP-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ncccc1Br 1798183776 DWVIOAKIEWHEGI-LFSVMHDDSA-N 432.702 0.647 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1798474277 GAVMYFYYIBEKGB-XVIXHAIJSA-N 437.262 0.810 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br)C(C)(C)C 1800757744 UVJMKJGXRDMXKK-XKNKYKOPSA-N 432.359 0.910 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)C(Cl)Cl 1801015932 QZAYRSQUMVQZRC-ORXSELOVSA-N 445.303 0.386 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1804255518 WSGWDKXZODXVLF-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805910824 ACPUOOIAJMIUQI-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)CC(N)=O)C2)CC1 1806132982 QCUNLYSIUYCBFL-BDKXHVGHSA-N 444.536 0.863 50 20 ICGD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)on1 1806769337 CHUGQGDBYBUZCY-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369932 ZEDTVUYQAJUUTC-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371406 UFZOMNGXCQYXLO-SIKLNZKXSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1CC1(F)F 1809521005 BMJFUASNUWGQDS-JQHSSLGASA-N 429.232 0.736 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnco2)[C@@H]1c1cccnc1 1810295591 UBWDOKZYVBWKQA-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811189363 VJYXQXCHGIGBBB-GRDNDAEWSA-N 446.895 0.544 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075261 ZRHZOSYNMHYBSA-BLIXFSHQSA-N 432.569 0.801 50 20 ICGD O=C(CN1CCCCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339693 MSSFDXDLEYKRDP-INIZCTEOSA-N 442.350 0.535 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1815768430 RBUZNBATGFMHPH-QWRGUYRKSA-N 441.286 0.785 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472492 UKRRLMZWHRORTQ-ROUUACIJSA-N 440.309 0.969 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1 1817475539 SDXBWLUDRDYRGS-SFHVURJKSA-N 436.281 0.601 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1820163943 JZOVPJLQCLLBEH-AWEZNQCLSA-N 447.404 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)ccn2C)n[nH]1 1820171473 FIUROLIDGNCJTP-INIZCTEOSA-N 443.508 0.787 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716692 QPRQAXWAUGEFND-KOLCDFICSA-N 444.286 0.728 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824529680 LKJNYRLTLRLZTG-HXUWFJFHSA-N 443.353 0.514 50 20 ICGD Cn1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)n1 1825980209 OKIOZKGVAOUCRV-LJQANCHMSA-N 439.520 0.966 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)CC2 1826006591 JUANMIFRWHKBKH-RDBSUJKOSA-N 444.001 0.945 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1826312379 HBBWZQNSDSNEDE-VIFPVBQESA-N 441.307 0.765 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049312 QWWJHKRCDNQPSF-SFTDATJTSA-N 443.353 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCCC3)sc2C1 1828406197 QKYWMCVSZUHJCP-AWEZNQCLSA-N 436.582 0.914 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829338767 BCSLABATZKBLGL-SFHVURJKSA-N 426.282 0.342 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544436 YFVVBAOOEMLVQD-XEZPLFJOSA-N 441.750 0.728 50 20 ICGD Cc1cc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830738390 NYDRKGCPOLTEJV-QFBILLFUSA-N 432.851 0.943 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1835929483 QOEBFNYGAOFWAC-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)ccc2N1 1836787506 PPJIWBRVCATFPP-VQIMIIECSA-N 425.844 0.786 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1837592131 WDSFPDLUMJNBGW-SUMWQHHRSA-N 429.315 0.500 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742194 WNBJHWYAPUSHAY-YVEFUNNKSA-N 425.283 0.740 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)c1 1839023720 ZDANUQJOPCNEHD-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839147385 OOKDQXZFKOOTLY-NJSLBKSFSA-N 449.932 0.303 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)C1(O)CCC1 1839197177 LDROKLKMJMGAFM-IOASZLSFSA-N 437.306 0.684 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531430 VLDKQXHSTMCVAX-GOSISDBHSA-N 441.326 0.684 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839963026 XTXYMQYNACAIKG-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1839967009 WQPFXGKMPFVLLQ-MPGHIAIKSA-N 434.375 0.957 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1840817285 QGKIELQDKYRFOO-DNVCBOLYSA-N 449.907 0.846 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841962195 UQQALSCXJZVIFJ-MSXUNZPYSA-N 443.410 0.673 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011439 DDPYTZKVPXIJDY-UHFFFAOYSA-N 444.300 0.742 50 20 ICGD O=C(c1c(Cl)ccc2c1OCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013918 CTPQQSKJNDQMRF-UHFFFAOYSA-N 442.664 0.879 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(Cl)cnc1O)C2 1844263265 KXGTYVQGLUSESG-UHFFFAOYSA-N 430.852 0.570 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cncc(C(F)(F)F)c2)C1 1844545048 AIUDRCLCFVDOEO-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1846304009 OLJZOHYZUJUINN-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(F)nc1 1848172243 PHFIMYPWKRODFK-IRXDYDNUSA-N 426.452 0.667 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 728171432 ZXXPUUBGBRTFPN-UHFFFAOYSA-N 429.392 0.938 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OCC 728178695 BSSSNTCGYIZRRK-OAHLLOKOSA-N 427.523 0.706 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 728847446 FRMXFOISMBXWSP-UHFFFAOYSA-N 448.505 0.532 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)ccc1Cl 732259266 BOBNWWXCCYFHGK-UHFFFAOYSA-N 437.821 0.406 50 20 ICGD COC(=O)COc1cccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 734532272 URNMHNHXJOVXQM-UHFFFAOYSA-N 435.458 0.786 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c2n[nH]cc2c1 735117572 YATQWMXEOLCHIM-UHFFFAOYSA-N 429.506 0.959 50 20 ICGD CNc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc(Cl)n1 735117606 ZBPIDRPFFJYCCN-UHFFFAOYSA-N 439.929 0.865 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNc1ncnc3[nH]cnc13)n2C 740746895 WPTGAWUSSAHBSS-UHFFFAOYSA-N 443.493 0.566 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc(OC)c1OC 743506105 KZIMMPFRSINWBP-BXUZGUMPSA-N 446.464 0.584 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1C 745700919 IAXMZXPVMJFZPH-ABAIWWIYSA-N 427.523 0.835 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 747323972 VJGVOOXCMBDBHI-ROUUACIJSA-N 438.488 0.363 50 20 ICGD NS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 748519698 BFBDGZNWHNADRR-UHFFFAOYSA-N 430.430 0.339 50 20 ICGD COCCCNC(=O)NNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 748717797 GVUJKMREYXIWLY-UHFFFAOYSA-N 426.264 0.972 50 20 ICGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 751208466 DMFXSWHGVCOPLP-CYBMUJFWSA-N 430.486 0.995 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 751302434 JJMHXHAGJIBDQS-UHFFFAOYSA-N 430.533 0.574 50 20 ICGD CN1CCN(CC2(C)CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 755237067 UXMKTIUFOGRNQX-UHFFFAOYSA-N 432.525 0.705 50 20 ICGD CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 756132896 RXSRIGJKWAWCEY-HNNXBMFYSA-N 433.509 0.996 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756330484 LICZRNIQIDUQCV-AWEZNQCLSA-N 440.547 0.771 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C[C@@H](C)O1 757407429 JIHKEOZIMQGQJG-VXGBXAGGSA-N 434.478 0.130 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 757996122 FLRCTCFSJMUILV-SECBINFHSA-N 425.858 0.488 50 20 ICGD Cc1ncccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763512814 UBQIOOFQOYUOGM-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763646467 HFDMLMJXWCTBKM-UHFFFAOYSA-N 444.444 0.327 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763682061 QQCFZIUMAYKWQS-UHFFFAOYSA-N 439.428 0.434 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 763714221 RRQPUONDJGDJOA-UHFFFAOYSA-N 448.501 0.664 50 20 ICGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763737244 QGFLVKMWCYFNDF-UHFFFAOYSA-N 437.478 0.260 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790801 OYBIMMUWWABDGL-UHFFFAOYSA-N 437.387 0.484 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 763958587 YFJHLEWZTXVHQL-UHFFFAOYSA-N 430.486 0.596 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 764132432 VGYDPBZHTPTXBI-UHFFFAOYSA-N 439.472 0.350 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 764204801 ZRAPSOWVVGGYIK-UHFFFAOYSA-N 447.517 0.155 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2I)cn1 764358355 CAOLUAVZAGVGBE-UHFFFAOYSA-N 431.165 0.564 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1F 764372234 RFYPSDMSWVBQMG-LLVKDONJSA-N 448.407 0.808 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 764431258 ANGAASOHDLUMHT-CYBMUJFWSA-N 427.339 0.392 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3ncnc4ccsc34)CC2=O)c1 766675623 POHBXGHPHOJIGB-JTQLQIEISA-N 432.487 0.835 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCN1c1nccn2cnnc12 771200046 OXRFBVLMVOIHFM-SNVBAGLBSA-N 448.285 0.780 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ncc1Br 773656735 AZLYFDXMRWUJRM-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNc2nccc(OC)n2)c1 773726738 QGRCQJACWYFQND-LBPRGKRZSA-N 436.494 0.785 50 20 ICGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 782398832 NDPVYOVQCASBIN-UHFFFAOYSA-N 428.286 0.583 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782896360 GSLGBLRNMOMIGG-UHFFFAOYSA-N 443.485 0.700 50 20 ICGD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C[C@@H](C)O1 783425911 KFISMATXDGNMPQ-SXGZJXTBSA-N 438.550 0.432 50 20 ICGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003663 LAWAOYFTDAGATF-UHFFFAOYSA-N 432.458 0.370 50 20 ICGD O=C(COC(=O)[C@@]1(O)CCc2ccccc2C1)NNC(=O)[C@H]1COc2ccccc2O1 792782381 FRLUDVLZKQEZCH-XMSQKQJNSA-N 426.425 0.437 50 20 ICGD Cc1nc2ccc(Br)cn2c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 793176136 JYVHQDXTJRVFAC-JTQLQIEISA-N 430.284 0.536 50 20 ICGD CC(C)n1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 797067648 HRWPQRSSLLXFMG-UHFFFAOYSA-N 449.537 0.482 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)n2nnnc2C)c1 801108109 GCLMZXAKTRBUDB-GOSISDBHSA-N 437.460 0.868 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 807382147 YZNCYVNZWCNJAS-IAGOWNOFSA-N 426.477 0.567 50 20 ICGD C[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807504447 ARHJMYMIDGOPKX-GJZGRUSLSA-N 426.543 0.316 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cn1C 808071010 JVLXUTBCQQSADI-UHFFFAOYSA-N 447.267 0.485 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 810684078 QQGIFUIDTSPNPR-UHFFFAOYSA-N 438.409 0.797 50 20 ICGD COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CO2 914780331 FNICRFMUCBWTDH-OAHLLOKOSA-N 433.486 0.958 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)c1 915637095 HSERDTQIYRUVIE-UHFFFAOYSA-N 432.477 0.326 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884030 DICXYMIRDZPGAF-DZGCQCFKSA-N 438.506 0.207 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nc1 920239873 GOMWTZCIRVGBIA-ZDUSSCGKSA-N 448.571 0.162 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 1115819689 PRGYTUCQHMUGLV-UHFFFAOYSA-N 437.474 0.842 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN(C[C@H]2CCCO2)CC1 1319172475 QFLXMBVYXVZHJV-GOSISDBHSA-N 431.541 0.667 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1347669527 YODQPVBAVRMKOB-CYBMUJFWSA-N 432.543 0.931 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371349 RJSPKKJCEIBPHJ-QXATTWAWSA-N 445.520 0.404 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781633726 VXXXVFYEHXLMIY-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1782171181 RORYVFHUEMXGQC-URKNILKWSA-N 426.901 0.994 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1783932811 GIKDMCFWVQTEIZ-IBGZPJMESA-N 439.900 0.257 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086729 ZKNUZGHNRNPIJH-QXKUPLGCSA-N 445.944 0.575 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccn3)[C@H]2C1 1785933526 NURDIBAVLYDGOO-GDJYOZILSA-N 438.488 0.809 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)NC(=O)NCc1ccccc1 1789726755 UCBJMJIXUGODAN-FHWLQOOXSA-N 442.520 0.226 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1789861603 GIACKCXGHLFDDO-AYDFFVQHSA-N 433.896 0.700 50 20 ICGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1O 1790303581 RJNNXJBVMZMHIJ-ZZCKCESHSA-N 439.896 0.544 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975243 NXCBSXCRWNUBBK-HIRMHNASSA-N 438.908 0.595 50 20 ICGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793314348 VCJRXGLRLZUYJN-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794318282 GPFPTOBUDWRACK-MIFYACCESA-N 443.953 0.953 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1F 1796722919 KSPPQOWAWPIUGH-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]cnc1-c1cccnc1)c1cccc(B(O)O)c1 1799183812 UCZBDYMTSGNJHC-REPLKXPHSA-N 445.288 0.717 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1800976660 AYDNQBCLWITIRX-KYZVSKTDSA-N 437.880 0.475 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)C(Cl)Cl 1801015611 IVMXOTSSEHMCPW-YWVIFJGQSA-N 443.331 0.925 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnn(C)c1 1803062665 QKMBEOCRWAKYJU-XTUBRDOVSA-N 425.493 0.735 50 20 ICGD COCCOCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806761994 MQCSUOPJNKDNDV-DYESRHJHSA-N 435.525 0.123 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)[nH]1 1810294343 JLSLYHZGSVDACE-KXBFYZLASA-N 448.487 0.745 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2(F)CC2)[C@@H]1c1cccnc1 1810305293 JYXADJRNXQNPMD-RHSMWYFYSA-N 426.452 0.902 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)COC1 1812488443 BSVNDUUGSPXHIC-QUCCMNQESA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)C(Cl)Cl 1813082437 VNZLGHGEOXXEKE-LRDDRELGSA-N 425.272 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813321497 LYEUCLAALVJMDI-UWJYYQICSA-N 442.524 0.142 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814476146 XPYFMDNZWRWKEV-FUHWJXTLSA-N 441.297 0.310 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814476148 XPYFMDNZWRWKEV-WMZOPIPTSA-N 441.297 0.310 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)COC)[nH]n1 1815168040 MHAPMFBPAOCICC-BZPMIXESSA-N 449.961 0.983 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1 1819404453 MIRIMHPKNMKFRX-JSSFPYSZSA-N 439.476 0.607 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004919 WUTAPBHRPQASEA-MVKOHCKWSA-N 436.307 0.338 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824490724 UGSXUDMEAGBOQR-JXFKEZNVSA-N 441.532 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccn(C)c1=O)CC2 1826082969 HDZRXCVIBXXUPW-LBPRGKRZSA-N 446.533 0.441 50 20 ICGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829052606 PJPABEMSTIIADE-LPHOPBHVSA-N 426.876 0.932 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733397 LDZSZZUPHDNDAM-WIYYLYMNSA-N 448.907 0.746 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cnn1C 1834428254 FCPJFPKZTUFPTL-PXAZEXFGSA-N 429.315 0.582 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835707249 XQLKZTBZGIQWOT-ZYSHUDEJSA-N 445.347 0.774 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnco3)CC2)CC1 1835737204 WEKOQUKZRKJVAI-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846444 LDYAQDDLQLLOIM-BMIGLBTASA-N 433.328 0.579 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938535 XPPYTSCXQMBHNY-NFBKMPQASA-N 442.321 0.205 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1836062272 JVBHNXFWLPDCSV-GOEBONIOSA-N 433.278 0.110 50 20 ICGD CC(=O)N1CCC(N2CCC(NC(=O)CN(C)NC(=O)NCc3ccccc3)CC2)CC1 1836344100 WOTHFFTXODNHKA-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418873 CQAMQZVBKSUACB-MSOLQXFVSA-N 448.303 0.799 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837082563 YPPBMSQXBCFQML-XLIONFOSSA-N 436.896 0.658 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838932503 KELRZTKIDADFFU-PXNSSMCTSA-N 442.896 0.374 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839152357 WWUYLUYMFBEBPN-ZWKOTPCHSA-N 436.336 0.302 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839156635 WJZJGQYHCHWENE-CVEARBPZSA-N 445.365 0.114 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839226675 UKOJTPDWUHLNND-XJKCOSOUSA-N 438.294 0.934 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839419468 CIOFFAFXGFZVBH-VQIMIIECSA-N 425.844 0.367 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840035589 WNNJJQKRMKQAPJ-XEZPLFJOSA-N 430.303 0.079 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1840150736 PUKUFVWNRRPLFL-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840150963 URZPCDOXQDPMQZ-AUUYWEPGSA-N 444.916 0.446 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1840152765 SKIBCCWOWOCLMI-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011940 LUTYVVSLIBKDBX-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847059995 JDSGSTPRBGCDEV-MRXNPFEDSA-N 435.289 0.002 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)cc1OC 24149086 BAHZVYWGWILZRS-UHFFFAOYSA-N 427.417 0.912 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)CNC(=O)c1ccco1 725739415 GJGBNTUITBEONG-UHFFFAOYSA-N 448.501 0.404 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2c1=O 725740633 FZIQVAUPPUDVCI-UHFFFAOYSA-N 431.499 0.958 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 725879453 HKEUKMZOCZCHMC-UHFFFAOYSA-N 429.886 0.520 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(CN2C(=O)CCC2=O)cc1 728845537 LLWGTJUHDZMOHY-UHFFFAOYSA-N 436.472 0.803 50 20 ICGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)COc1ccc(Br)cc1 728958301 BWZIBOCJSSGIKV-UHFFFAOYSA-N 437.316 0.488 50 20 ICGD CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 732995343 KSAASCKHFYQKTG-UHFFFAOYSA-N 437.444 0.653 50 20 ICGD Cc1ncc([N+](=O)[O-])cc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118315 ROKAYEZGFRQALV-UHFFFAOYSA-N 435.466 0.386 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 735445263 QNCVFCRIBBNCOZ-GFCCVEGCSA-N 436.450 0.190 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H]2CCN(C)C2=O)cc1 737995589 USKLATICVMXJQE-OTMARIDSSA-N 436.472 0.688 50 20 ICGD CNC(=O)c1cccc(CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 740920314 LZCXSCYFINPHRI-UHFFFAOYSA-N 425.493 0.626 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 741074093 VQIOSSDNJFYKGR-OLZOCXBDSA-N 430.527 0.541 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744460087 AKKUJOGLRXHONC-AWEZNQCLSA-N 449.485 0.675 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCOCC3)cc(C(C)C)nc21 745987891 KKFMJTOFCANVIM-UHFFFAOYSA-N 432.481 0.963 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 751282527 NADNADBNWGUQQY-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c1 752279186 AAAXVNAZZSTJQB-ZIAGYGMSSA-N 425.507 0.549 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COCc3ccccc3)C2)nc1 753278275 DHJJRGNUHNUWBH-UHFFFAOYSA-N 427.461 0.994 50 20 ICGD COC(=O)c1cccc([C@H](NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)OC)c1 753997751 GWCVBXHLVZGZTK-KRWDZBQOSA-N 449.485 0.872 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cn1 756839708 SBROARZEKAEKSG-OAHLLOKOSA-N 432.481 0.883 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cncc(I)c2)C[C@@H](C)O1 757723085 UWIAYIMDMRXOTJ-GHMZBOCLSA-N 432.262 0.947 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 758027565 WIIWIMGFYJKUOA-VNHYZAJKSA-N 442.538 0.974 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)CCO1 763569577 AGHDJOQEONDLQE-IFXJQAMLSA-N 440.456 0.838 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 763668636 OPGUTRPIDVTJGQ-UHFFFAOYSA-N 427.461 0.700 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763680245 SSPBKTMVUABUEP-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc2C1=O 763745325 CHKMEUDCWLAEGD-UHFFFAOYSA-N 435.484 0.853 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c2ccccc2O1 763853003 ZOWVFXWZXBJALH-SJCJKPOMSA-N 445.403 0.708 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)cc1OC 763900282 ICQBUPUTTFYRIG-UHFFFAOYSA-N 439.432 0.778 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(COCC2CC2)c1 763916209 DANZDPWDIIGWLI-UHFFFAOYSA-N 435.444 0.989 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)C[C@@H](C)O1 763980177 WHWVCQBABXNTMI-BETUJISGSA-N 449.489 0.212 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 763996237 XUBYDQVOPGGYSK-UHFFFAOYSA-N 426.227 0.597 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 764202928 CZFCPAJSBIDNBY-UHFFFAOYSA-N 433.490 0.159 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 764203578 IWCJYHFTFZJDQT-UHFFFAOYSA-N 443.847 0.788 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 764245791 JKIHXJAFFZQHNX-UHFFFAOYSA-N 437.503 0.600 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c(OCC(=O)N(C)C)c1 764362195 AQIGJSLRPPNHFH-UHFFFAOYSA-N 442.472 0.765 50 20 ICGD O=C(NNS(=O)(=O)N1CCOCC1)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 765067844 MYOAHRIPXLTLEQ-FQEVSTJZSA-N 430.530 0.811 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(F)c1 773393997 WOMLEARLRRPHIV-UHFFFAOYSA-N 442.447 0.831 50 20 ICGD O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 773733007 AZAOHIPNFABHBC-UHFFFAOYSA-N 426.360 0.720 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cc1CC(=O)O 774615123 HYYDEHGRTNYVSC-UHFFFAOYSA-N 432.414 0.996 50 20 ICGD CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 774616417 SQXQQLRFITUHSD-UHFFFAOYSA-N 449.894 0.217 50 20 ICGD C=CCOc1cccnc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 775605844 LZBFKMAGJZYTAK-UHFFFAOYSA-N 432.506 0.734 50 20 ICGD CC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 775671360 DAZQTJMKMRIGFO-UHFFFAOYSA-N 444.263 0.984 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H]1OC 776531614 NAMJCTSKYDPMBL-BFYDXBDKSA-N 428.511 0.138 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)ccc21 778712750 HFWBZGCDANHYLW-UHFFFAOYSA-N 446.847 0.981 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1 779489849 VAPVQJWKWZILHG-LSDHHAIUSA-N 425.430 0.128 50 20 ICGD COC(=O)CNC(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 779821143 PIRTWYDQTIZYJY-UHFFFAOYSA-N 440.254 0.060 50 20 ICGD COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782966716 QAYFEMOBYIQJJT-UHFFFAOYSA-N 444.419 0.778 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2F)C[C@@H](C)O1 784000274 XMCZKNBJUHHLQT-BETUJISGSA-N 435.456 0.148 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C[C@@H](C)O1 788165436 BVEYEWWJCMYLCU-HUUCEWRRSA-N 439.538 0.086 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 789738704 IBWOIYVZIIWIFT-JTQLQIEISA-N 425.392 0.503 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@](C)(O)Cn3ccccc3=O)n[nH]2)cc1OC 790892612 WZEANKPPFBEEHS-OAQYLSRUSA-N 441.444 0.468 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)n1 797645023 YZFDZWWHUSZQEY-UHFFFAOYSA-N 439.432 0.737 50 20 ICGD CCn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C(F)(F)F 799256956 CESWBLBSDGWAKK-GFCCVEGCSA-N 427.339 0.848 50 20 ICGD Cc1nn(C)c(Br)c1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 801104242 GEQDMFQBUVSFSF-UHFFFAOYSA-N 429.300 0.859 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802096088 WEVARLLJCKNYBF-UHFFFAOYSA-N 444.448 0.841 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 802120035 IHUZKEBEWGSCHK-LJQANCHMSA-N 432.481 0.521 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804954831 JOSGZWKEBYHCBT-MRXNPFEDSA-N 447.459 0.655 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 807383245 QZBUYOIHEQPRPF-CQSZACIVSA-N 427.502 0.215 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1=O 913572981 BPOSGONMCKRGIE-UHFFFAOYSA-N 449.876 0.326 50 20 ICGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 915164920 TXJGWNAIKQBGBQ-FQEVSTJZSA-N 444.469 0.318 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 915906277 XFKQNJSKGXNKGK-UHFFFAOYSA-N 433.465 0.903 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 916831006 GEEGEHICMHNLNA-UHFFFAOYSA-N 432.502 0.930 50 20 ICGD Cn1cc(CCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 917515420 JQFDKTCVFTVRFZ-UHFFFAOYSA-N 449.533 0.154 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cn1 917720302 DWSWRGJMMZBMQO-UHFFFAOYSA-N 438.469 0.802 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 918222916 APHZUMZCHISWDR-UHFFFAOYSA-N 445.432 0.971 50 20 ICGD CCNC(=O)CN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920854585 OHGODIDFWUTJFY-LFIBNONCSA-N 438.488 0.936 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)CC2)cc1 1323723194 GWSDERYXXITKFS-IBGZPJMESA-N 448.589 0.475 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778748254 LNBCEEHCKMABPB-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD O=C(c1cnn2ncccc12)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331152 LTBNTGXQVCYETE-CZUORRHYSA-N 426.246 0.863 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781469825 NSRCXJRKMUOSOR-RZQQEMMASA-N 440.928 0.883 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccnc1)C2 1782211910 FRKCUYCHOVJMBS-AUSIDOKSSA-N 445.564 0.901 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1)N1CCN(C)CC1 1783852358 XFXSAEJNZSPWDY-XSLAGTTESA-N 429.005 0.867 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783965874 WFTDERQXCPAKPI-YHQUGGNUSA-N 433.347 0.444 50 20 ICGD O=C(CCCn1cccc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784566164 PLWXWOHAMCMZCL-JOCHJYFZSA-N 425.294 0.092 50 20 ICGD Cc1ccc(O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981168 WZEMMQBFASGDGP-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cc(O)nc(O)n1 1787438728 UQOJREUHZCHZII-NHCYSSNCSA-N 429.271 0.266 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506982 MOBHBHYJNYFKKV-RHYQMDGZSA-N 429.319 0.083 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788717696 DUTRTKKKFKRLOV-JURCDPSOSA-N 439.310 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789182073 CJBKRILFZYLXRS-MXAVVETBSA-N 425.869 0.657 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790021966 WCKSCBVXOMPUFW-RKLWJJNISA-N 427.841 0.493 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816571 LJOCWAKLZISSNA-WLIJJLESSA-N 432.315 0.888 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)no1 1797829941 UXPNEFUCVPEXRD-OHTBPHCPSA-N 443.298 0.086 50 20 ICGD Cc1cc(Cl)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801736827 GICIBCYVLOMGMY-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1804130957 PGMAIPMVJLPTGS-BJWYYQGGSA-N 448.483 0.888 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnc1 1807360163 ORFXRAWESNMRHQ-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCCN1 1808068588 FSYSPWXBPWKUEN-GREBRCKQSA-N 436.321 0.223 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccnn2)[C@H]1c1cccnc1 1810729765 XGNXRRXIJNTQTG-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(F)n1 1810752811 BPTHWEUKYPQOCK-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810793869 OCSVGKWXOBOTAM-RCBQFDQVSA-N 433.852 0.489 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812717120 MBVRQKNGQZAUGI-LNLFQRSKSA-N 426.945 0.391 50 20 ICGD CCc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)co1 1815344151 KWODBMWZQIHZHN-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350008 DABWMGVUJGVFCV-WBVHZDCISA-N 442.350 0.533 50 20 ICGD COC(OC)C(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276201 PFIBZBYVXCGYDL-BPDROILWSA-N 448.505 0.808 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=COCC1)CC2 1819800853 BEESPOZNEVVRNP-LLVKDONJSA-N 428.474 0.672 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)c2ccccn2)[nH]n1 1822414488 VEEPCXHDVCBGEB-JXFKEZNVSA-N 442.524 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 1826089641 JLNZYUZCIMUFLM-JLNYLFASSA-N 435.550 0.996 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056560 YHIURIXKOACYLV-GOSISDBHSA-N 425.298 0.042 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830537421 HNOUPHIKZCDASN-RDTXWAMCSA-N 446.342 0.096 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830544435 YFVVBAOOEMLVQD-WWGRRREGSA-N 441.750 0.728 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733512 NTDCRKZMNQTCEX-QAPCUYQASA-N 445.831 0.404 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1834530352 FLRPLJNDVLSXJM-BBRMVZONSA-N 447.261 0.246 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1834552658 NYLHMAMVFOVLQJ-RDTXWAMCSA-N 432.304 0.713 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837693137 IFXDSCQQXKVJPR-HBUWYVDXSA-N 446.342 0.165 50 20 ICGD C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921357 CNKFIEHUNKIJPD-UHFFFAOYSA-N 426.322 0.782 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311164 OQBLDNOPUBRAJO-GUYCJALGSA-N 435.308 0.397 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839148178 PPGYVWXQUIHNQJ-KUHUBIRLSA-N 439.875 0.956 50 20 ICGD O=C(c1occc1Br)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011229 GZJHIDGITSGSGJ-UHFFFAOYSA-N 433.067 0.853 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011964 ONYRNWXNPWFXMC-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013138 NJVMXCGCYAMNHO-SFTDATJTSA-N 434.301 0.996 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843974786 PTARRMXYEUFYNH-OAHLLOKOSA-N 429.359 0.527 50 20 ICGD COc1cncc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844263741 OURJYWWRJQVWPV-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD CN1C(=C(C#N)C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C)c2ccccc21 18265260 NWCZOIVRCHKIKN-UHFFFAOYSA-N 439.863 0.978 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)cc1 725960436 UBJMSXFJGVJGON-ROUUACIJSA-N 443.431 0.714 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1C 726444641 JSGWLTDJYRXQLN-UHFFFAOYSA-N 435.531 0.585 50 20 ICGD CC1(C)COCCN1CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 728400164 LEQOQVQURAXMIL-UHFFFAOYSA-N 432.569 0.640 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 730826851 TYDURRDGDJOEAT-UHFFFAOYSA-N 425.873 0.373 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)NCC2CC2)c(=O)n(C)c1=O 734832152 CYYXTCWFTXGYND-OQLLNIDSSA-N 437.456 0.361 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 735836005 AAPLIYBKGMOSDI-OAQYLSRUSA-N 445.545 0.686 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H](C)O1 741282848 AVEXBRSVXIKEBA-GUDVDZBRSA-N 446.548 0.951 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 744457765 UYMXGTLGEZTQSE-IYBDPMFKSA-N 426.429 0.428 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744600650 GPDHKJBLVBJFIZ-UHFFFAOYSA-N 440.437 0.088 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCC(=O)NNC(=O)c1cccs1 745735651 IPXCZNGBYZQZBQ-UHFFFAOYSA-N 448.501 0.669 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c2ccccc2n1 750661363 QERFBQVFCVFSBE-UHFFFAOYSA-N 432.462 0.595 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C#N)nc2)c1 751260294 JTTADSHTEHAOQV-UHFFFAOYSA-N 437.503 0.607 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2c(C)nn(C)c2N2CCOCC2)cc1 755523538 GHDDJZTZYZVNPB-UHFFFAOYSA-N 448.549 0.644 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc1S(=O)(=O)NC1CC1 756681056 FBTBJSKCEAOASN-UHFFFAOYSA-N 436.494 0.802 50 20 ICGD O=C1N[C@@H](C(F)(F)F)CC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758528891 ZEAYYUQTWHCOBR-RKDXNWHRSA-N 436.250 0.270 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1 758826286 BUKXNYXIEQUCCJ-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)C(=O)Nc1ccccn1 758828676 UHSJRQUSOIFVLX-UHFFFAOYSA-N 440.485 0.908 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(I)c(O)c1 761093911 PCKAXLSLXRAROI-UHFFFAOYSA-N 440.197 0.583 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccnc2)cccc1S(=O)(=O)NC(C)(C)C 763488723 OWNKFWSDMYIESX-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 763607234 CSHUFRWATBDHHP-MSOLQXFVSA-N 431.541 0.667 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 763623408 LRVJMYWMPDRTLF-UHFFFAOYSA-N 439.428 0.212 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 764040078 CFLAIFXGSHTPQE-UHFFFAOYSA-N 427.385 0.777 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 764382680 PKJJCLMDDUNQRV-UHFFFAOYSA-N 442.457 0.663 50 20 ICGD COc1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OC 765736463 SQQGXLFWVNNAJP-UHFFFAOYSA-N 440.500 0.852 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ncn(C)n2)cc1 769122039 KNDDMNJIQGUJPC-DHDCSXOGSA-N 434.460 0.786 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)nn1C 773493853 JGRGPMUIAZIWRP-UHFFFAOYSA-N 426.227 0.356 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)n1 773530419 WMQCJSGNHYOQBF-UHFFFAOYSA-N 431.403 0.965 50 20 ICGD C=CCSc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 777167748 RWQUACSAEPEONQ-UHFFFAOYSA-N 428.474 0.173 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1sc(C(=O)OC)cc1Br 777616495 JILOEOHRHIYVGY-UHFFFAOYSA-N 430.302 0.826 50 20 ICGD O=C(NNC(=O)c1ccc2cncn2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 785669492 CGCZMMRCKKQUAZ-UHFFFAOYSA-N 429.458 0.430 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Oc1ccncc1 787542258 IQKABNYHHRKOID-GFCCVEGCSA-N 435.462 0.206 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 789047585 YZOQYZOJPSELLY-OAQYLSRUSA-N 448.443 0.199 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCc2nncn2C1 793448626 VPPRFVMPNUILIE-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccccc1C#N)C(F)(F)F 806564989 XLUPARAHVSRCLT-LBPRGKRZSA-N 437.400 0.090 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 815691929 FROVIMVHFBQJLI-SECBINFHSA-N 444.345 0.707 50 20 ICGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)CC1 815692669 YALHAMNLFRGFHF-KRWDZBQOSA-N 439.520 0.859 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CC2CC2)c1 819118613 YNYLNFRLNLQTJU-UHFFFAOYSA-N 434.312 0.935 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)NNC(=O)[C@H]1COc2ccccc2O1 878390603 UZPKOSXZJJQAPR-QGZVFWFLSA-N 442.428 0.062 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)n2)cc1 906485883 AARGTHCOQLBISH-UHFFFAOYSA-N 428.478 0.403 50 20 ICGD C#Cc1cccc(NC(=O)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 918002144 SFNLTNKBKCUXGW-UHFFFAOYSA-N 428.474 0.544 50 20 ICGD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919961116 SGGADDIQTXSDRH-GFCCVEGCSA-N 432.524 0.351 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 920308326 BLODXABZOLMPEH-CQSZACIVSA-N 430.435 0.379 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1777995032 WVIVWZCGYQMRDG-YWZLYKJASA-N 434.880 0.046 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)cc1 1780415147 XVKUQHQSTPUBES-NFBKMPQASA-N 440.280 0.947 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781031887 HAYADTGZIOHRON-PJIJBLCYSA-N 433.933 0.671 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090285 ONNJSFGAOWNDBU-GJYPPUQNSA-N 445.402 0.483 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331722 VCWOPRNKMGCBHE-GUYCJALGSA-N 444.257 0.987 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC)nn1)C2 1782173693 MNOYOUIKMAPRFH-ZBQZNYHESA-N 426.901 0.867 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@]3(F)Cl)C[C@@H]21 1788609802 KXFPHSATAVQJPH-GPNFVODBSA-N 439.875 0.203 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21 1788611359 WWCBTAXUQOAYGU-USJZOSNVSA-N 447.561 0.422 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1792870804 VJMQHWXTMQEMOC-DYNIEEOBSA-N 441.282 0.409 50 20 ICGD O=C1CCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)nc2N1 1796566560 HIIMKHDVZVLPFU-BCDXTJNWSA-N 448.288 0.212 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)ccn1C 1798741357 MWVPBVSRBGGJML-XLYDMXJNSA-N 440.504 0.671 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800757800 QNIMUTIYQQPBPY-SLZITWOASA-N 425.327 0.324 50 20 ICGD Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)c1 1801694856 QKPNRDFVTIVJCH-HATOLVCRSA-N 436.317 0.809 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1 1803653314 QBDOWWMHQWDKMX-POEPRGHXSA-N 437.280 0.973 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804340611 DUWRDXGQWOUUNH-IJEWVQPXSA-N 435.912 0.951 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1 1807374911 PBNRKBYSVPKEPZ-UYAOXDASSA-N 432.289 0.775 50 20 ICGD CNCCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302209 IDNKRQSRLNVHHM-UZLBHIALSA-N 439.520 0.399 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810534259 WKWMGKXFBUNSNX-CEQIKUNHSA-N 444.536 0.151 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1811465815 QWENRPUNMGVQBQ-IERDGZPVSA-N 440.504 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2F)[C@H]1c1cccnc1 1812477046 UCTPSMFEZQICMQ-QXRTWZOPSA-N 426.452 0.758 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069045 SLGZVJHNZOLHJK-DYESRHJHSA-N 441.536 0.816 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)cn1)CC2)c1ccc(B(O)O)cc1 1815339633 KZDWDAXWEPWECX-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD Cn1cncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816518937 OUFCWYSECYSLSJ-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474148 NOVQFVZOAOYLSY-IXDGSTSKSA-N 428.298 0.802 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnn1 1817476020 ZVYKHFXJUZNDHX-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](COC)NC(C)=O)n[nH]1 1819613028 KZGVAYAYWXKCTJ-QEJZJMRPSA-N 429.905 0.807 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1821996932 PNFYGFQRZUWEHK-INIZCTEOSA-N 440.265 0.349 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827098606 GMPQSIUHRXCVRL-LJQANCHMSA-N 445.564 0.841 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830350368 SIIVRDCALXXWHM-PXNSSMCTSA-N 442.896 0.481 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1830724681 APBXUCDADUOCHF-ZKNHNOBHSA-N 446.928 0.022 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738580 QCWQNVXTOXDXKO-MDYRTPRTSA-N 425.913 0.316 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1831650208 FPONVVDUYXPMAJ-VCBZYWHSSA-N 432.949 0.558 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832813964 MDERCIMTZSEUDU-CXAGYDPISA-N 429.315 0.582 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187286 WWNJHCDLKCLKSH-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834669903 HHLJUXDACMXINJ-UHFFFAOYSA-N 447.492 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1 1835113537 DFPUQJZMKRNDKM-LBQODKDLSA-N 444.532 0.529 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930703 VIQBIPLLDGZCPS-NZQKXSOJSA-N 442.321 0.205 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718884 GKSNWCCNPBUINM-KRWDZBQOSA-N 440.928 0.878 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837238533 LATHRKCNKCPXQB-PUAOIOHZSA-N 439.372 0.387 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837715968 UKAOOZYBISHWEQ-SFHVURJKSA-N 428.558 0.248 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838038898 GEPRZYZONRDRKF-YVEFUNNKSA-N 436.843 0.602 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839151893 HTETWNSKSXIGSY-IAGOWNOFSA-N 449.291 0.194 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153425 HTTLWLMNWDLKNN-OLMNPRSZSA-N 448.351 0.607 50 20 ICGD O=C(CN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199127 KBOXHZBQHDNOAQ-WBVHZDCISA-N 436.322 0.619 50 20 ICGD COc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1839332543 JNUQAYCAGCJINI-HNAYVOBHSA-N 448.850 0.643 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716019 KKDFNFMXLMSLFN-QAPCUYQASA-N 443.342 0.821 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1 1840033603 KZLDNGALWZJDNV-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840034847 YYWAGQVMGZLBRH-MEDUHNTESA-N 432.271 0.020 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840155944 KPVWVFMDERICDE-TYNCELHUSA-N 427.723 0.480 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183610 PBPSPZYYFBITLA-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD COc1cncc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1842026646 HWOOYPMRZUPDMS-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846483169 RCPFPXCZJRVPGS-STQMWFEESA-N 429.901 0.716 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1OC 14289682 FYVFINCPKOEJKE-UHFFFAOYSA-N 445.476 0.326 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 726671105 MGSUJKYUJYSXGW-UHFFFAOYSA-N 447.469 0.308 50 20 ICGD C#CCNC(=O)CN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 728534983 YUVLSQPHBVRZFG-UHFFFAOYSA-N 448.527 0.551 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)Cc1cccnc1 728892991 FOSODTIQAFLJOL-UHFFFAOYSA-N 433.309 0.574 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnnn2-c2ccccc2)c1 730672221 DAEGMQOAYWDRFU-UHFFFAOYSA-N 444.477 0.057 50 20 ICGD CN1CCCC[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 732257551 SKBZXCBTRDDFSK-GOSISDBHSA-N 438.550 0.272 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240417 QLZXIDSNHYSPTH-UHFFFAOYSA-N 435.528 0.467 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncccc1Cl 734246529 ZNFRFECYDQFDRE-AWEZNQCLSA-N 446.938 0.960 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1Cl 742028429 LIDJRDKDQCKAEN-ZETCQYMHSA-N 432.307 0.682 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 745107659 HAQUPWAUVNCZQM-KRWDZBQOSA-N 429.477 0.940 50 20 ICGD COc1ncnc(N)c1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 747625475 KEGDCPUMFNNGKX-UHFFFAOYSA-N 448.505 0.171 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)c1 747956810 VRHHFYRKVHDVCN-MRXNPFEDSA-N 444.444 0.924 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C(C)C)nc21 748241398 YYFAUYIRAMQWGN-UHFFFAOYSA-N 430.465 0.414 50 20 ICGD Cc1ccc(Br)cc1NC(=O)CNC(=O)NNC(=O)C(=O)N1CCCC1 749191085 BPNHDZXCSDKRST-UHFFFAOYSA-N 426.271 0.649 50 20 ICGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753947326 CCNMUMOZTBZVNE-ZBFHGGJFSA-N 440.522 0.609 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n([C@@H]2CCS(=O)(=O)C2)n1 755533998 NPXGDFALNGSXTP-DOMZBBRYSA-N 435.462 0.544 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 756032240 QWSLGWZSLGTIPK-GHOZOMOVSA-N 441.510 0.704 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 756523233 BCXPPMGIHKZUAR-NSHDSACASA-N 429.499 0.802 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccn(CC(=O)N2CCOCC2)n1 756659150 NNSMJAQROUGPHA-UHFFFAOYSA-N 438.448 0.394 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 757917449 IIFMKBMDCNQPCC-SSDOTTSWSA-N 428.439 0.118 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C 761063235 FJMGYTKXEFNAAJ-UHFFFAOYSA-N 426.495 0.148 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c1 763449901 JGINIQIPCLXFDZ-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763539096 IPPOLOFABLYFTB-UHFFFAOYSA-N 434.405 0.535 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763728726 QYHGZVVEALKVSS-UHFFFAOYSA-N 440.456 0.777 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763820634 OFYYOBWDYSUXNH-UHFFFAOYSA-N 433.490 0.207 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 763872261 MZENYXXDSJUBJB-CYBMUJFWSA-N 447.469 0.846 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1OC 763911421 MWZXHCANDHEHLH-UHFFFAOYSA-N 446.464 0.748 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)cc1 764279935 IELALGKLTAAXHB-UHFFFAOYSA-N 435.234 0.914 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 764318839 GSURYZISNMBSNR-UHFFFAOYSA-N 433.392 0.958 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1S(=O)(=O)N1CCCC1 764338743 KIPDNFHHLNHZDX-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cn1 764358879 JZHRVDNRBLLMLK-UHFFFAOYSA-N 438.419 0.889 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br 764397431 JQECJOPFIKKXIK-VIFPVBQESA-N 448.270 0.604 50 20 ICGD CCOC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 764473582 BUGCHWOWIFNLER-UHFFFAOYSA-N 430.458 0.216 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764513322 HYRJGJPDSKCVGF-SJCJKPOMSA-N 430.442 0.212 50 20 ICGD Cc1cccnc1CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 764818080 QTVMYNYGIKACBO-UHFFFAOYSA-N 437.382 0.414 50 20 ICGD O=C(CCNC(=O)c1ccco1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737678 IBGUWTMGRCDBTG-UHFFFAOYSA-N 427.461 0.005 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCCN3CCC[C@H](C(N)=O)C3)nc21 770399054 IXDWGAVAOJPDNO-LBPRGKRZSA-N 433.517 0.500 50 20 ICGD CO[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 771417000 WGBBLQJEYDLZRF-GOSISDBHSA-N 426.539 0.120 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 771882137 MJQLJLHWFOWPHF-NSHDSACASA-N 447.897 0.464 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 774006150 BGSXPVSUGPXULJ-LLVKDONJSA-N 429.824 0.869 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)cc1 783411754 YGOWSAFOLIFYRZ-UHFFFAOYSA-N 427.417 0.689 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 783805886 YCWFQOOHIFVZLK-UHFFFAOYSA-N 433.402 0.961 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1CN1CCc2ccccc21 783999586 HGYBTTPOFSWORL-UHFFFAOYSA-N 435.484 0.958 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 784003716 MSPOZVSEWSLNMG-UHFFFAOYSA-N 443.485 0.563 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cnn(CC(F)F)c1 784210095 BZQNHLLGDODEOF-UHFFFAOYSA-N 428.421 0.671 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc2c1OCCO2 784213046 JNPQVKRCEYTMSO-UHFFFAOYSA-N 432.458 0.980 50 20 ICGD O=C(COC(=O)CC1(N2CCOCC2)CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 786101556 UJVJQFFGTBYFFT-UHFFFAOYSA-N 434.449 0.934 50 20 ICGD O=C(COC(=O)c1cnn(-c2ccc(F)cc2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 786144110 RJNBFTNEFLJCJO-KRWDZBQOSA-N 441.375 0.551 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc(-n2cccn2)c1 792362885 AZERTVRSVWNQBX-UHFFFAOYSA-N 442.457 0.458 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@]2(O)CCc3ccccc3C2)cc1OC 792801020 SMEWUIGYRSITJT-JOCHJYFZSA-N 428.441 0.928 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCSSC 793075583 ABALWVANBUPDLR-UHFFFAOYSA-N 449.576 0.782 50 20 ICGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1ccco1 795958256 NPHLXUWOOUECGT-UHFFFAOYSA-N 435.444 0.997 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C(=O)C1 802101029 GJVSLUDKFCZGBQ-UHFFFAOYSA-N 435.437 0.647 50 20 ICGD O=C(c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)N1CC[C@@H](B(O)O)C1 864234931 ZMAJRKSRYYNINT-OAHLLOKOSA-N 432.263 0.583 50 20 ICGD C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 915483384 YVYUJJKHMRORCT-NSHDSACASA-N 441.487 0.025 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 916266826 HQAAABSHROGGIZ-UHFFFAOYSA-N 443.508 0.650 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1F 920337987 COCIWDWTSRBEFF-UHFFFAOYSA-N 440.409 0.629 50 20 ICGD C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 920827344 XFKFLSFIAYJURC-QFIPXVFZSA-N 437.456 0.377 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 921199622 MWZLHKNGAKEYGW-SFHVURJKSA-N 426.477 0.504 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 1248382390 REEZXJCNSGBZJC-KRWDZBQOSA-N 448.453 0.381 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778564245 JGVCCPLLUMAIPR-NRFANRHFSA-N 432.525 0.036 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778733814 WYVLGQJKBIMJFW-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CC1 1780774454 AZRUPAOXWOGXEF-QGPMSJSTSA-N 449.365 0.438 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781058709 CJHPBZOCGNELJP-OLPIVMHESA-N 427.929 0.471 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784284016 OBBYBFIQLBALQY-HXOBKFHXSA-N 437.305 0.084 50 20 ICGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)nc1O 1785351009 FHWOCVNTGMUMIW-IBGZPJMESA-N 426.901 0.352 50 20 ICGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785648226 HFXVOWJYSPNRBY-ZPFDUUQYSA-N 431.262 0.769 50 20 ICGD CCc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785652242 FBZSQYPAAGYJRY-LRQRDZAKSA-N 437.305 0.231 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786982781 HOEWZQFWTLQWDR-ZIBCJSCZSA-N 440.280 0.671 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1789641345 LKWMEOHJFPKGMG-HNNXBMFYSA-N 435.289 0.805 50 20 ICGD Cc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287917 DAMCGCYGDDPHAX-BJLQDIEVSA-N 445.564 0.675 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C1CC1 1792978411 UFWNZSUTEVDJKT-QRJUGERDSA-N 445.944 0.479 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1796191757 VAWLOEHLOHQTST-RACLHMPKSA-N 439.321 0.019 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1n[nH]c2c1CCc1ncccc1-2 1798476115 JFJDICIJUVFVRW-LZDSYCOUSA-N 445.907 0.373 50 20 ICGD CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522893 APEBBWZAYZPCST-NASWQRNTSA-N 435.433 0.758 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)NC(=O)NCc1ccccc1 1799094969 MREDPRSQCGORJK-RMFSNUHRSA-N 442.520 0.226 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2)N1CCN(C)CC1 1799180704 IFZBFCKTPXZBKV-VIQHNZTISA-N 445.402 0.243 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2)[C@@H](F)Br 1799347774 SCVHUNULIHQWJM-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-n1nccn1 1800582721 ALCJCKFXNAQVQH-BJWYYQGGSA-N 439.520 0.892 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800785300 VMSZSBFHGBXQEM-DGADGQDISA-N 445.944 0.575 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1800976662 AZMHFCBWAVKKET-KRXQYRFLSA-N 433.896 0.929 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013034 QLRJKXQYXDBTJG-OPOADAIRSA-N 432.521 0.417 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1801969694 PIQDNXAIKTYMRM-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD O=C(Cc1ccccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807654351 RHNIXKKQPMZSPE-XXBNENTESA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946785 CZSGYEMMMDZXEK-LEWSCRJBSA-N 434.819 0.062 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1812867573 JPZRVCDDMCVENN-XAYKYTGQSA-N 449.305 0.796 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813072023 YNJVKCQIHVABKX-HRAATJIYSA-N 443.508 0.395 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1817354807 KTMDMCCCDWKNJK-JQWIXIFHSA-N 429.319 0.780 50 20 ICGD Cc1nccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1818321255 YPGRQUDXWCFQLP-SFHVURJKSA-N 434.265 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](COC)NC(C)=O)n[nH]1 1819613025 KZGVAYAYWXKCTJ-AEGPPILISA-N 429.905 0.807 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncc[nH]1)CC2 1819795843 UTGCBDIEFFXCCR-SECBINFHSA-N 426.462 0.404 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)no1 1820742282 RMLPIHAUJSPMSJ-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c1 1821600511 XQOPLBIXIVSOBV-AWEZNQCLSA-N 435.274 0.562 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1 1822415789 IMAKXSNZUUNYEC-OAHLLOKOSA-N 449.512 0.617 50 20 ICGD O=C(CCc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1824480109 IZTDCXORYBDJRG-ZYHUDNBSSA-N 425.898 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 1826612713 XUMRODBLJMYANO-GFCCVEGCSA-N 434.526 0.110 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055201 VBUWWMMEWHZCGA-LJQANCHMSA-N 440.309 0.534 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)CCl)CCO2)C1 1830354302 WJEFXDNYTWBSHO-HXUWFJFHSA-N 431.961 0.870 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831436855 GKZUXQFLYZHFPC-FQEVSTJZSA-N 429.326 0.126 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831657893 YXXNLHZLRIVAEI-GXTWGEPZSA-N 446.342 0.933 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1832619397 OLANAPIAHDBSTJ-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833503642 YOBVVJJROBWKHE-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711734 OQHPLONDOMXPQS-LJQANCHMSA-N 429.590 0.067 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839148334 VODAKXYXLQWFND-BEFAXECRSA-N 426.901 0.589 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1839898201 MGAYXBJHXANMCJ-ABAIWWIYSA-N 437.262 0.087 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840030752 VOUWELZNBYERKR-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840032455 ZBKVZRXDGMGPCH-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840033903 UMQNXNMMJGMABS-BMIGLBTASA-N 446.258 0.171 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840192935 LKJDQPHQNCCFPY-KRWDZBQOSA-N 434.587 0.112 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844025258 NVKZCJQTQMBQAP-UHFFFAOYSA-N 430.273 0.749 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2 1844263205 DWZQOLXWJBUSRC-ICSRJNTNSA-N 449.511 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc3snnc3c1)C2 1844264621 QECHFQHCENEBTF-UHFFFAOYSA-N 438.473 0.216 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1846361571 BLPNDDITJHUWMA-OAHLLOKOSA-N 429.926 0.697 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1846385886 HTWFEHNLOSMFDM-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c1 28679321 URFIOKVZYSAENV-UHFFFAOYSA-N 434.430 0.608 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 106010594 YPZGXFIMGYEQCL-UHFFFAOYSA-N 447.452 0.563 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1[N+](=O)[O-] 726508365 HKHZNFWNFXSXGJ-OAHLLOKOSA-N 443.416 0.678 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)c1 728747877 PPXFBNNDMDKGPD-UHFFFAOYSA-N 437.316 0.730 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 728851039 JXQVBRBRSLGITF-QGZVFWFLSA-N 447.473 0.923 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 732086909 OLQAYLZUADVNRI-UHFFFAOYSA-N 438.189 0.373 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)NCc1ccc(Cl)cc1 732995644 PFZFYIBCLNGYBW-UHFFFAOYSA-N 435.959 0.732 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742477647 SHRGTIQFAFKAJH-PBGAUENZSA-N 439.472 0.299 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 743556374 LQTSKCQGUMOQNU-AWEZNQCLSA-N 433.494 0.885 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1C 744454777 IXWPENZBAGQOMG-UHFFFAOYSA-N 444.469 0.458 50 20 ICGD Cc1ccc(F)c(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 745195643 NUQZDHRVNPZGKM-UHFFFAOYSA-N 433.469 0.289 50 20 ICGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745863887 JQHNFJBKOOAFMB-AWEZNQCLSA-N 428.511 0.467 50 20 ICGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751281977 HWZRFQNFTCXMRZ-UHFFFAOYSA-N 427.504 0.903 50 20 ICGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNc2cc(Cl)nc(N)n2)C1=O 753452818 VUDZRRGRHMOPQY-SFHVURJKSA-N 433.856 0.940 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)c2)C1=O 755993262 RLGOTPLFKQXFSR-UHFFFAOYSA-N 449.427 0.798 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 756561082 APPJJWKZJGMGHM-UHFFFAOYSA-N 435.462 0.927 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(I)ccc1F 758047193 WCXBLQBZQIGCQA-LURJTMIESA-N 429.211 0.129 50 20 ICGD Cc1nn(CC(F)F)c(C)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 760826654 JYHMJHDLPITBDV-CQSZACIVSA-N 438.387 0.909 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ncsc1S(N)(=O)=O 762951731 DKZTUQBJJBPWGH-UHFFFAOYSA-N 448.866 0.071 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 763571390 INOBDVNBONJGDB-KRWDZBQOSA-N 425.376 0.937 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c2ccccc2O1 763849571 KIAUTVZQAALQAF-SJCJKPOMSA-N 444.419 0.281 50 20 ICGD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763920644 BCNQSAFUPYHLSP-ZDUSSCGKSA-N 425.453 0.866 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 764083147 PJEYNOFHSVFPDT-GFCCVEGCSA-N 426.495 0.612 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cc1ccccc1 764226121 GBHNXDBGIPTCPR-ZDUSSCGKSA-N 448.501 0.310 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)ccc1C 764302581 NZHAEYZSZCYTOE-UHFFFAOYSA-N 432.502 0.967 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc3ccccc3cc2O)c1 764321206 RDTDJVWFOQQKOY-UHFFFAOYSA-N 432.458 0.873 50 20 ICGD COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435537 WQZVVRBWGRAFKN-JTQLQIEISA-N 436.646 0.612 50 20 ICGD Cc1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1-c1ccccc1 765733647 OSCIYMKIOSCWIB-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643723 RRMLOSAQIBQMKI-IEBWSBKVSA-N 432.521 0.566 50 20 ICGD COC(=O)NC(C)(C)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660611 PDNPFBADZLNCCY-UHFFFAOYSA-N 425.917 0.740 50 20 ICGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)no1 766846054 HTEDGRNJFCEVOT-UHFFFAOYSA-N 428.493 0.238 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ncn(-c3ccccc3)n2)CC1 768407118 LAYDHZOOVAKVOG-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD Cn1cc(N2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)cn1 770397948 AJEKPSKMQGUBGZ-GFCCVEGCSA-N 428.457 0.452 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 770951169 OAMGVXATJNJCDO-NSHDSACASA-N 435.487 0.767 50 20 ICGD Cc1cc(C)nc(NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 776614335 RAEUPFGPIAYSBB-MRXNPFEDSA-N 434.522 0.766 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)on1 781431881 YMABFINEGFDRGS-UHFFFAOYSA-N 435.868 0.693 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3cccc(C(F)(F)F)n3)cnc2n(C)c1=O 784955432 WGIPBYYSNORWTB-UHFFFAOYSA-N 437.338 0.128 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 787537263 AIMYRKHLEQRWGR-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCc2ccccc21 788143002 IPHRYKYRYYNVEK-KUHUBIRLSA-N 425.441 0.968 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 790587064 TUEWIAYVXVSDQR-KBPBESRZSA-N 432.440 0.924 50 20 ICGD CCOc1nc(C)ccc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 792335289 INVAXSINGAPEDM-UHFFFAOYSA-N 434.522 0.877 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)cn2)cc1 793039827 CXLXOGTUSRFHNC-UHFFFAOYSA-N 433.432 0.998 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794578214 HOEUJFGBUSLRJV-UHFFFAOYSA-N 429.476 0.272 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1C(=O)O 795343080 FKVOXVVRKCXHMB-UHFFFAOYSA-N 425.850 0.973 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 801109436 NKCUAJBZDVLVDV-AWEZNQCLSA-N 436.515 0.996 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccccc2)s1 801991083 DAFRSKMKOWVIME-UHFFFAOYSA-N 425.492 0.515 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806978092 LXCFXAQAWKDFLF-SSDOTTSWSA-N 442.828 0.008 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H](F)C(F)(F)F 809933879 YSXSMSUPRKFSKN-AWEZNQCLSA-N 441.403 0.688 50 20 ICGD Cn1cc(Br)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 815827369 WSGQLVUFOSAGIJ-UHFFFAOYSA-N 449.309 0.402 50 20 ICGD COC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1C 815854931 WYODOWKXWRVXLD-UHFFFAOYSA-N 435.506 0.505 50 20 ICGD CNc1nccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] 816829683 AOSHRXRJJGXFJY-UHFFFAOYSA-N 448.461 0.891 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(CS(=O)(=O)c2ccccc2)c1 916041998 VKNZAYOJXKSXTN-MRXNPFEDSA-N 436.511 0.856 50 20 ICGD C[C@H](Cc1cccc(O)c1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 919783629 JEQVXHJEBYRGTD-OAHLLOKOSA-N 448.549 0.981 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 921248397 XUYQADJYDOHSAZ-UHFFFAOYSA-N 443.464 0.651 50 20 ICGD Cc1cc(C)n2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2n1 1318236201 WNOSLOLHJGOUGZ-INIZCTEOSA-N 425.401 0.490 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778051701 QAPMXVRZPHOPMZ-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778823515 RDOVSFCDISUJDF-WQEAVSRRSA-N 428.327 0.682 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029116 RBDOTXRWJSZVGE-QFIPXVFZSA-N 438.488 0.075 50 20 ICGD CC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373471 UUPQPBQIQWDJBC-AUUYWEPGSA-N 425.436 0.468 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1781231717 QHMDQVUGDJVXJU-IAGOWNOFSA-N 430.292 0.255 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785357819 HHBZUYHMFJQQSJ-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785569829 VSHOTGDOOPMSTL-IFXJQAMLSA-N 433.933 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)c3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786984965 DQUDGKBTWMHHLE-XIRDDKMYSA-N 448.231 0.345 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138861 ZBKBWDWZSMXWRZ-XQLPTFJDSA-N 446.342 0.982 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(-c2ccccn2)[nH]n1 1788946503 BEQNDYCCDVKMDD-LUVWLHFXSA-N 433.896 0.665 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1790652267 HKXWVASWFFWQAA-UHXUCMFUSA-N 430.820 0.271 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1791254581 WYXRXHZKOMUERC-NAKRPEOUSA-N 439.822 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21 1791293988 VWAMNGHTGLLTNX-WDSOQIARSA-N 442.520 0.301 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792583733 GKNSFNCSAOKCJF-HUJKARHJSA-N 436.321 0.623 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1F 1792977699 ZZMIDZJVANUDFJ-UCSBCBTLSA-N 448.850 0.785 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188410 BOIFFIQVZYGYAK-ACDBMABISA-N 449.316 0.874 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cnn2c1 1796191359 CLYPVSHRTXXNKS-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1796445638 GMNOBTXZFCKKFF-SNOXVSQISA-N 431.493 0.015 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc(Br)ccc1O 1798837495 BYJZPWDMGAUXGW-ANGCBRKESA-N 447.713 0.958 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1O 1799552889 XIZFZXVDBCYLPY-CCWDJLKJSA-N 439.472 0.216 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1800979325 ZXOCZNUSALYJIE-OPDFLTKYSA-N 425.898 0.543 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2c(F)cccc2n1)c1ccc(B(O)O)cc1 1801024390 BVPQMGPXPAPXLV-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807073618 NCKODROIINJSCD-CEDBRAGKSA-N 438.337 0.454 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807193356 WNBOJSDYTFINCC-CKEIUWERSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(F)nc1 1810692895 ULVIGGUGERCTEA-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncccc1F 1811121714 KDPHCXJMDFUTJU-UWJYYQICSA-N 448.263 0.929 50 20 ICGD Cc1ncncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361146 YVZLYPOTLYEBIF-CQSZACIVSA-N 437.290 0.461 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1csnn1 1815362833 KGEJHMYHUFCGAH-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)o1 1815495051 OVHYHYPPZMKJFG-NSHDSACASA-N 435.510 0.362 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328463 CQFOOZDTQRMQAF-GHMZBOCLSA-N 449.371 0.125 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829512768 JXQKAMXMOBWKQP-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1830537305 DBCCXPDAHFOIFZ-UGSOOPFHSA-N 443.294 0.741 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830546637 UVNFUFWNWUHLJS-PBHICJAKSA-N 444.330 0.156 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1830738273 NHBDVILUQKEOFZ-PLMTUMEDSA-N 438.908 0.436 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738664 RAVFPZBIXUZYCL-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832315910 OAOAILLIAHDASQ-CZUORRHYSA-N 425.295 0.948 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729513 GZSGJJRUTHZPOA-JXFKEZNVSA-N 438.912 0.285 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832838519 QFXHHEBFUZBONM-OXJNMPFZSA-N 443.903 0.864 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1834823802 LHKBKZUNANOLPP-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826665 SWDCEKYTOAVSFT-CRAIPNDOSA-N 448.358 0.533 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834898545 UZLYOZXUAKTYEV-CYBMUJFWSA-N 427.347 0.633 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993440 XQRDICFBXVFVCV-HXUWFJFHSA-N 425.913 0.570 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050434 VVCFDAZZAZKSDC-OAHLLOKOSA-N 436.944 0.778 50 20 ICGD CN1CCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc21 1836569926 GLWADPOWWYHCLM-RXVVDRJESA-N 437.924 0.349 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815566 OZMAPUVZHNLOJO-HNAYVOBHSA-N 437.884 0.282 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1 1837919255 VALMIVOSTPGLBP-NRFANRHFSA-N 442.321 0.671 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCn3ccnn3)CC2)CC1 1838786345 OKAGJUQPFZFFCD-QGZVFWFLSA-N 427.933 0.921 50 20 ICGD Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc2n1 1839503868 YKZCYYLIWWMSFV-FXAWDEMLSA-N 436.896 0.243 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184642 ZAWGQSWLVUUEID-GCJKJVERSA-N 436.553 0.584 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840434078 QCUNTTVREUYEML-TXPKVOOTSA-N 428.917 0.229 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498464 MMBCYOZPMNXRQR-APWZRJJASA-N 427.885 0.040 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)CC2=O)c1 1841007564 MCYGEBKANSRDIK-RHSMWYFYSA-N 435.908 0.851 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn(Cc3ccccc3)c2)C1 1844485724 OMRCNHFIMZBIQN-UHFFFAOYSA-N 444.300 0.742 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(-c3cnccn3)c2)C1 1844732627 BWQPZLKRILSTSF-UHFFFAOYSA-N 442.284 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1846360645 XBEYPAVULWQFJF-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C(C)C)cc1 725739584 JLZPXGNZGYOCRR-KRWDZBQOSA-N 436.490 0.468 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 727365688 WUYHQWVZJYSNLB-NSHDSACASA-N 434.927 0.450 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(C(F)(F)F)c1 729962596 BMAIYYGRZQKVNU-UHFFFAOYSA-N 428.348 0.859 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2O)cc1 730782705 SUUQPFVYCQMKHZ-UHFFFAOYSA-N 437.474 0.686 50 20 ICGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)c1nn(-c2ccccc2)cc1O 731685699 CJIYQYOSHBFUEE-UHFFFAOYSA-N 436.494 0.241 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733123322 YWPKACNHQUASLI-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1C 734684894 BAQJBWBUIKDXTL-MOPGFXCFSA-N 433.553 0.808 50 20 ICGD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 734807727 ANUWHUQVSMYEOC-WFASDCNBSA-N 441.506 0.843 50 20 ICGD CC(=O)Nc1ccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735117042 MCPRIYFRCUAMDK-UHFFFAOYSA-N 446.533 0.662 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 742242372 ZMJRBRMKMWTJQU-QGANALPKSA-N 447.444 0.024 50 20 ICGD Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 744403056 UPVLLGXSUYDFPL-HXUWFJFHSA-N 431.456 0.449 50 20 ICGD O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)N1CCOCC1 745996053 KIDYDEXMUNRCGO-UHFFFAOYSA-N 425.294 0.735 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 749400999 VMXQKFHHFAZHCL-ZDUSSCGKSA-N 437.474 0.726 50 20 ICGD N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 750038824 KWZMALAETRMPOS-IFBSOPNSSA-N 440.503 0.594 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 755363081 YQSWJGVJQGQQKR-UHFFFAOYSA-N 442.885 0.859 50 20 ICGD C[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCO1 756085321 WMGJDPYMSNPEKA-GOSISDBHSA-N 426.495 0.221 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756097878 RMXHYUAOKSGYBV-SYWGBEHUSA-N 443.416 0.111 50 20 ICGD Cc1ncc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 756369168 BBKLKHJORYXXTH-UHFFFAOYSA-N 448.505 0.591 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 756868506 VLCADYUJAQQWEY-STQMWFEESA-N 440.464 0.170 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc3c2oc(=O)n3C)c1 757758398 UWOFGXJBRKGTBX-UHFFFAOYSA-N 433.446 0.848 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cc(F)cc(F)c1 758523384 PILBEOJNXAKVIL-UHFFFAOYSA-N 440.266 0.521 50 20 ICGD CC1(C)OCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CO1 758722893 IKVUEWAIVWYGBQ-UHFFFAOYSA-N 426.495 0.567 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2nnc(C)s2)cc1 760143480 VYUOEJMMEWLESE-NSHDSACASA-N 426.524 0.867 50 20 ICGD O=C(NNC(=O)c1cc2n(n1)CCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 761393459 XXYOQCAQDJMGKD-UHFFFAOYSA-N 433.490 0.915 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2OCC(=O)N(C)C)n1 763447465 USWDOINKLQRINQ-UHFFFAOYSA-N 434.474 0.465 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c2ccccc2O1 763623765 GVMFMJKRGIXRJN-OAHLLOKOSA-N 437.412 0.371 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763646254 DPOZUPFULROWHH-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 763682379 RVZYVIXXDRPXQK-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763682554 WBYYBDHZTXHSPX-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1C 763757271 GTETZSOHOVIEGR-UHFFFAOYSA-N 433.490 0.369 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764136004 LGYWQCLLTUKNPK-UHFFFAOYSA-N 430.436 1.000 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)o1 764139541 XOAPGCFHNXVUBG-UHFFFAOYSA-N 429.433 0.966 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 764177900 XWRNKLCUYKJERQ-UHFFFAOYSA-N 441.469 0.159 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc2)CC1 764199879 SYELFURWDHOJMU-UHFFFAOYSA-N 431.537 0.915 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764345926 MIRRDHKKUMHUQY-UHFFFAOYSA-N 436.428 0.905 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 764375253 WUHIABTZPBJDPZ-UHFFFAOYSA-N 431.474 0.766 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 764401247 UVVQMXADSDOSEP-NSHDSACASA-N 441.847 0.861 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(F)cccc3s2)n(C)c1=O 765731145 QPFPIWCUOKTIAU-UHFFFAOYSA-N 430.421 0.249 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)C(C)C 765748806 ILUQXSKDTYBEJQ-NRFANRHFSA-N 433.553 0.047 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCNC(=O)c3cccc(Br)c3)nc21 770366937 HJEFVMLZPMFLDN-UHFFFAOYSA-N 449.269 0.888 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 770542127 BQYBDESLWNOLGL-CQSZACIVSA-N 439.538 0.763 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(I)c(F)cc1F 772036132 KYODNYGFHRKJDS-ZCFIWIBFSA-N 444.197 0.765 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1 774009372 OMXCGSPVAXEPSI-JTQLQIEISA-N 436.856 0.758 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 774010768 ZIXRYNJLAURPIL-SECBINFHSA-N 444.835 0.869 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 777777471 JIAMTSRDPJCRNJ-LBPRGKRZSA-N 426.333 0.681 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 780711114 HDPCAZUXXHDHMQ-VSKPTYQZSA-N 446.551 0.073 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccccc3F)cn2)CC1 782707206 KMDRMMPXNZAJPK-UHFFFAOYSA-N 436.469 0.384 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1F 783263871 MHYZGRDIFPAUKX-UHFFFAOYSA-N 425.442 0.998 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)OCO2 783264935 UDDQYULIYYHTEC-UHFFFAOYSA-N 435.462 0.887 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCS(=O)(=O)C1 783426000 KZCADFRQJJQYCH-WHDAMIPWSA-N 427.426 0.451 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 784002451 PJVUOWTZUWLVMR-UHFFFAOYSA-N 444.444 0.601 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3ccc(F)cc3)cc2)CC1 784229250 CZCHRVKYNNMEBW-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 784916584 ZRBRTPWNKNKHHO-UHFFFAOYSA-N 437.522 0.443 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785067124 HJLYPYDNXFJYRV-UHFFFAOYSA-N 449.876 0.720 50 20 ICGD CCOC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C 788872713 QVQIYOQNFPOIPP-MRXNPFEDSA-N 428.559 0.705 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COCc2nnc(C)s2)cc1 794767758 WADCOPLACLLRNJ-UHFFFAOYSA-N 427.508 0.140 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795160667 IBRYJZQAJXRKIW-UHFFFAOYSA-N 426.520 0.992 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 797368822 HJBHWOOVRLGUGT-UHFFFAOYSA-N 442.428 0.477 50 20 ICGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c2ccccc2O1 797369453 XUUWDKGHNFDHAG-CQSZACIVSA-N 426.429 0.874 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 804867280 NMPDYSNTSHASHV-JTQLQIEISA-N 436.416 0.409 50 20 ICGD CC(=O)Nc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 805060893 KOCYNUQGUGMNKN-UHFFFAOYSA-N 447.358 0.090 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 807380272 SKHJFJAKGSLDHE-UHFFFAOYSA-N 427.502 0.215 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808257945 PTVSGIWJSYRNDD-LBPRGKRZSA-N 443.551 0.013 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1 810154433 AABVMWNRVIUWCB-UHFFFAOYSA-N 425.854 0.433 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)c1 811881989 GRWKTEFKNXPACT-GOSISDBHSA-N 440.547 0.544 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNc3cnccn3)ccc21 815557738 CNLFINSDVKSXJS-UHFFFAOYSA-N 434.359 0.560 50 20 ICGD CCOc1ccc(C(=O)CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 919885844 OCEBTCHCUCQFAW-CQSZACIVSA-N 441.506 0.964 50 20 ICGD Cc1nnsc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 921233834 CPQSIMQAOJYWFR-UHFFFAOYSA-N 439.519 0.261 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1778024495 NCBOJVKQDSNJKA-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334445 NYLZAZBISINOFZ-BLLLJJGKSA-N 430.230 0.944 50 20 ICGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1783523401 LOKQXVXKJXYQLD-KBIXCLLPSA-N 436.307 0.864 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1784619187 YKKRJUBNDRNSIL-ABHRYQDASA-N 436.900 0.418 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784824246 UKDAGGOBDVOWTE-VQYZLWMVSA-N 431.493 0.255 50 20 ICGD CC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508919 SRMIZWXASXPKRS-VYOPWZLOSA-N 431.493 0.469 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791255447 RPWJRAPUOUGHHJ-MRBVTGPESA-N 431.917 0.749 50 20 ICGD CC(C)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)C 1791289243 PHNPEKLCWCURQI-RYLXDESZSA-N 439.601 0.362 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792981048 PIZHDISAVSCNCK-LMWOUKEDSA-N 435.868 0.243 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1792987524 SGZZCMMOLCVIRO-YIYPIFLZSA-N 426.311 0.971 50 20 ICGD CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737034 VDEHDYGBQVVFLU-JLVBRIDZSA-N 444.318 0.344 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2)c1cccc(B(O)O)c1 1795741081 YVVBHJAZMIGWPR-UDKICSLYSA-N 434.301 0.300 50 20 ICGD Cn1cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)ccc2n1 1796189446 OEUUVUZTCNFGPK-ACDBMABISA-N 432.289 0.819 50 20 ICGD COc1nccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1F 1796352038 PSOYRYZFHJDAQS-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CCCCC1)C2 1797750499 CCYVXJQZPMJOLL-XOIINTDNSA-N 433.484 0.561 50 20 ICGD Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799503732 HPSHSHUBDQIBRP-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1NC(=O)C2 1801068694 XIZOIMIRZDLAEH-QDMKHBRRSA-N 448.483 0.745 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)C1 1802339625 CJTUOFWLSVINRK-RZFLPCETSA-N 436.553 0.977 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803139570 RCASTRZEIXXJEG-KBAYOESNSA-N 435.912 0.844 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361556 RSAGMLBAOGJDCK-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374120 IQLXARCLHFMLQJ-YSIASYRMSA-N 439.346 0.977 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807469210 QXQDFESAKDIWDB-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]2c2cccnc2)CC1 1808314671 ZECVNUJUEIINBA-NEWSRXKRSA-N 439.919 0.786 50 20 ICGD Cn1nccc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1808426071 RYIQOJBPFNLIOM-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967118 WIGVORWBSUZZDV-UHFFFAOYSA-N 444.728 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccnn2)[C@@H]1c1cccnc1 1810729766 XGNXRRXIJNTQTG-UZLBHIALSA-N 425.493 0.564 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1811491104 QNBPEHBXACAIPM-BEFAXECRSA-N 448.487 0.745 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C(Cl)Cl)[C@H]1c1cccnc1 1813078101 NWYFQZAJJGRGSR-LALPHHSUSA-N 433.292 0.956 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814873656 SYDUFQCYGVGXGC-KFWWJZLASA-N 444.872 0.496 50 20 ICGD C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815198311 OHTNXIHRGNHKOD-GUYCJALGSA-N 439.476 0.752 50 20 ICGD COCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817474086 LQXBHCKUTYHXKG-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820079047 XNCPAFNAHACGFC-QWHCGFSZSA-N 448.553 0.356 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823001757 LMRHPEFKWACYNK-AYKAFODUSA-N 448.274 0.344 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181844 OSTUOHSANPCPJM-CABCVRRESA-N 436.900 0.251 50 20 ICGD CN1CCN(C2(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](O)CCl)CC3)CC2)CC1 1824183988 GBQAVRGGOYOTNW-RBUKOAKNSA-N 441.016 0.986 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829781880 GRGSUQOAMPCZDP-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537428 HQNXFKQJQFYSSQ-XSWJXKHESA-N 434.375 0.847 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1831640361 LRFGRTKZZBZKPO-KBXCAEBGSA-N 436.958 0.757 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832815265 WBULXOSXODGQCD-GOEBONIOSA-N 433.278 0.489 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836454 NBCAYTXOUKOGGM-PXAZEXFGSA-N 443.298 0.426 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836857629 SYRQPYYUCRGMIZ-KRWDZBQOSA-N 442.321 0.017 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837038405 HFMZAYFEKXBAGV-BEFAXECRSA-N 440.859 0.372 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784513 NVQOFYADINSENB-SGSZHJQISA-N 442.476 0.219 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838890443 WFXUBSGUOZTNAD-OXQOHEQNSA-N 442.896 0.725 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)o1 1839152154 PIBQPRYVVQXCEU-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584182 GYWAGODJEKQYAP-QRWLVFNGSA-N 440.928 0.233 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1839962764 QNJAOOTZSZHUIQ-IIYDPXPESA-N 434.331 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840153826 ZTLKHZGRPRCZPW-XOBRGWDASA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840155034 NNIRRFSEUOPSEG-VBNZEHGJSA-N 431.744 0.933 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842279972 IXZIYTRELDFAIS-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263409 BANCVTVXPJLZDX-FQEVSTJZSA-N 448.527 0.559 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264350 JBTQYVVNUSXXDU-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cc(O)n[nH]1)C2)NC(=O)NCc1ccccc1 1845038809 WBUHJBVBKKWTPB-UHFFFAOYSA-N 441.492 0.279 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3nccnc3N)c2)cc1 10099737 WLWRZOZNFXKERU-UHFFFAOYSA-N 442.457 0.943 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCN2CCCS2(=O)=O)nc1 726277195 ZHWMERJOEJAQTQ-UHFFFAOYSA-N 448.571 0.164 50 20 ICGD Cc1cc(C)n2nc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc2n1 728213184 GCNNCRDMORCIGO-UHFFFAOYSA-N 444.521 0.434 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 728370809 CHCQVCLDDAUGKS-KGLIPLIRSA-N 427.910 0.774 50 20 ICGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cc(F)ccc2Br)C1 728746409 LNLSCQTUUSOGLI-SNVBAGLBSA-N 437.291 0.956 50 20 ICGD CNC(=O)c1ccc(CN(C)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728959178 HXUJZTWVHPIMDW-UHFFFAOYSA-N 425.493 0.925 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1cccc(C(F)(F)F)c1 729276735 LDTYJAHFOIZZTF-SECBINFHSA-N 433.412 0.898 50 20 ICGD CC(C)NC(=O)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729510025 OJVKKDDVQONGSI-UHFFFAOYSA-N 440.522 0.163 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731457044 FVYHWPHINHFMSK-UHFFFAOYSA-N 435.425 0.721 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1cnccn1 734243922 KTEBHQLBRYFJDJ-CYBMUJFWSA-N 447.926 0.355 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 734810066 SGIVUSHSWXCQDG-UHFFFAOYSA-N 446.420 0.239 50 20 ICGD Cc1nc(C)c(CCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(O)n1 735117533 VZWAGBXRDSJVFE-UHFFFAOYSA-N 449.537 0.206 50 20 ICGD C[C@@]1(NNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCS(=O)(=O)C1 735583768 DVUUSZQYGUZUPF-GOSISDBHSA-N 444.579 0.362 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 736478804 ADTIIYCJFXKKHM-UHFFFAOYSA-N 447.391 0.736 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1 743264144 PIACJQGCNWXGFD-UHFFFAOYSA-N 439.247 0.602 50 20 ICGD CCc1nsc(N2CCCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 743511734 OZRKOWKKGOBRIA-UHFFFAOYSA-N 442.509 0.643 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1Cl 743834057 OYBRITTWVMBKQX-UHFFFAOYSA-N 432.846 0.054 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cnc2sccn2c1=O 744622537 XTDDCKJJNNOAJQ-UHFFFAOYSA-N 435.487 0.534 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)COCc1ccccc1 746284101 GENHBGANNRKVPM-UHFFFAOYSA-N 428.489 0.968 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 749959820 QWLLPXBPDGBIPO-UHFFFAOYSA-N 433.486 0.906 50 20 ICGD CCOCCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 752687714 WEXJPRTXZZGYOR-UHFFFAOYSA-N 440.570 0.851 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 756862088 AAFMJIKKIOVKKG-ZIAGYGMSSA-N 432.477 0.968 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 761063322 GGCOYUQJCZZKTJ-UHFFFAOYSA-N 437.472 0.619 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccn(C)c1)c(=O)n2Cc1ccccc1 763243708 TTYAUQUZKFFCLQ-UHFFFAOYSA-N 449.471 0.228 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n1 763808535 XXZAZADLQSSHFJ-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC1CCCC1 763998665 RUULHDBGLQWMTQ-LBPRGKRZSA-N 439.490 0.537 50 20 ICGD CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764003152 ZXVZXHFSQOOBLE-INIZCTEOSA-N 447.517 0.575 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 764012997 VUESRBYXWAGGAM-UHFFFAOYSA-N 440.865 0.704 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC 764133607 WWPDLAHOCVZAKO-UHFFFAOYSA-N 428.445 0.734 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 764159134 SODGRDAJKCHCAL-UHFFFAOYSA-N 426.838 0.873 50 20 ICGD N#Cc1cccc(COc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2F)c1 764427825 BZPHIEDPTRJCQR-SFHVURJKSA-N 442.403 0.778 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764526652 YINIYGDVJQXMFT-ZDUSSCGKSA-N 432.458 0.460 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCCC1=O 766636533 PJOHTMJJVWNIJG-HXUWFJFHSA-N 429.521 0.239 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 766892582 QWBRTFMYZXGFHL-UHFFFAOYSA-N 448.531 0.478 50 20 ICGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 767585649 KTUZJBGOZDDBIF-CYBMUJFWSA-N 429.495 0.781 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NNC(=O)CNC(=O)c3ccco3)C[C@H](C1)C2=O 767935893 SVSPJQKGHKFYPU-AGUYFDCRSA-N 448.476 0.619 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cn1 771434941 CLOFJCSJWIDHQZ-UHFFFAOYSA-N 425.417 0.917 50 20 ICGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1F 773493802 IQMCOKXBHZGWLO-UHFFFAOYSA-N 427.392 0.789 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)cc1O 777611290 FQKSUVPEJFEBJF-UHFFFAOYSA-N 433.895 0.967 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)CC1 777904520 PLGFHAPDLBBKSB-UHFFFAOYSA-N 428.515 0.808 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc(S(C)(=O)=O)c1 782145408 IIUOPJDVJYNRGY-UHFFFAOYSA-N 436.446 0.752 50 20 ICGD COC(=O)CCSc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783427739 PWHAYXSWGCMJCF-QGZVFWFLSA-N 429.520 0.478 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc(OC)c1OC 784003287 DHIKNIFCYJWYGT-UHFFFAOYSA-N 436.446 0.290 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNc3ccc(Br)nc3)cc2)c1=O 784809659 AKDSSNAHLJWKEW-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)COc1ccc(F)cc1 785690991 OBCGWTGHUXXRNE-UHFFFAOYSA-N 426.382 0.239 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)NCc3ccccc3)n[nH]c2n1 787594580 CVSZOPAMNBCKTC-UHFFFAOYSA-N 444.525 0.428 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 790952295 QLYRMYGGROMNPN-MRXNPFEDSA-N 440.504 0.853 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)CNC(=O)c2ccco2)C1 794501384 FQIWNVSTEALFIB-CQSZACIVSA-N 435.481 0.875 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 797368784 GYEXGBPKWCPMJE-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc3c2OCO3)ccc1Cl 800831532 VPCDQIBGVFXNAY-UHFFFAOYSA-N 433.851 0.339 50 20 ICGD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 802566576 VZTOXASPHPBZGQ-UHFFFAOYSA-N 434.338 0.784 50 20 ICGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 810387502 YMECLHSNLNOTPG-UHFFFAOYSA-N 441.448 0.950 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751779 NYNHBPZAPNNEMG-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 817054284 CCEXCKULVYOADP-UHFFFAOYSA-N 429.499 0.021 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N[C@H]1CCS(=O)(=O)C1 919885329 ONPYETHXNMUOPI-CABCVRRESA-N 430.486 0.710 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@H]1CCS(=O)(=O)C1 920815041 HSZGHHINDMJXLW-XXFAHNHDSA-N 429.907 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778037854 ULASOLBPWNSWKH-HSZRJFAPSA-N 448.483 0.924 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1779029006 QGOFIKYJMYBXIL-VFNWGFHPSA-N 431.493 0.088 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781022664 BIVSUTATNUEQIB-AUUYWEPGSA-N 433.933 0.983 50 20 ICGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Br)C3)CCN1 1782269668 RQJDZRLTUQAFBE-GMIGKAJZSA-N 434.306 0.717 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1783765529 POYCLVRRPNIGEA-QEEYODRMSA-N 445.944 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1783933001 OFVOZUFLLAOCAZ-VGSWGCGISA-N 432.521 0.587 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1783934276 DIGGDWSIZHCUFU-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)N1CSCSC1 1784091392 RWUCKCQNUKYLNH-LXFSFDBISA-N 438.015 0.609 50 20 ICGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]32)CCC1=O 1784983487 PVOHDZUIUAPZDI-MMNXLFCMSA-N 433.336 0.811 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nccc2[nH]ccc12 1787334413 LCKHMBSFWNJKOM-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1788565337 BGPBBAFIXCTMNS-LXFSFDBISA-N 447.374 0.847 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789858003 PXFLPCVNMDSZSI-GVRJEKJASA-N 447.960 0.869 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789873098 REWHQMDHGVLIBP-QAETUUGQSA-N 437.924 0.821 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790960578 DYGZZKBXERJLNX-VIDVPJGOSA-N 442.354 0.998 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791691485 XDPMVBWJVKRHSD-PEDHHIEDSA-N 429.319 0.387 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ccc1[N+](=O)[O-] 1792048344 RJURVFDNUVLTGN-HPZZRFSDSA-N 441.868 0.796 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792230211 PVMHWYAKNFUZER-GQGQLFGLSA-N 443.859 0.856 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1Cl 1792360672 QYIBGQSJTPFYRZ-DRXBFXEBSA-N 444.879 0.251 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(OC)c1 1794054197 WBHXNGRWWBRCMS-HIRMHNASSA-N 425.913 0.866 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191435 LMPVTPJYUBLMPE-BCDXTJNWSA-N 442.350 0.583 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796367390 HMHDSEZNPOIWKU-NEBZKDRISA-N 437.896 0.652 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1796837402 ZLJKKMBQOXOGKI-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2snnc2c1)c1ccc(B(O)O)cc1 1799194315 XQCUAKGMXKCMAV-MUJYYYPQSA-N 437.290 0.332 50 20 ICGD NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)cc1 1799352338 RHTDYAJKCOFWOS-XJFOESAGSA-N 428.258 0.679 50 20 ICGD O=C(Cc1cc(F)ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801973796 XIVOXULTORJKJR-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]3c3cccnc3)CC2)CC1 1803141864 UUGHEORJPZDUAZ-QRVBRYPASA-N 449.983 0.467 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803436002 CHQJSJLUXSPKLY-CEQIKUNHSA-N 446.552 0.375 50 20 ICGD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805854224 NYBBNGBINUKNPU-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD O=C(COc1cccnc1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806836975 GEAKRIYRIKGQAJ-UHFFFAOYSA-N 437.305 0.685 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369567 OTMGGBCRUDROLM-GCJKJVERSA-N 445.288 0.114 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1810540317 IQDYHPFCBJPJPQ-QFBILLFUSA-N 432.601 0.779 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CSC(=N)N)[C@H]1c1cccnc1 1813071364 OHXKOFOTLKBPFV-KDOFPFPSSA-N 435.554 0.087 50 20 ICGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2 1814326006 IWSMDJCZANBFPI-WKEGUHRASA-N 428.305 0.790 50 20 ICGD Cc1nccn1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060099 AVINZNBHRKUWON-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)CC1 1830403023 MCMZMIVIIARDNI-MSOLQXFVSA-N 435.569 0.600 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735812 NLKBAOGSVRAGCT-IFXJQAMLSA-N 440.859 0.143 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830760401 DQNKZCJKPCHPHE-JKIFEVAISA-N 436.322 0.618 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833708834 HHBYBONNMHCHOG-FZKQIMNGSA-N 432.880 0.191 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)cn1 1834525820 RTGPFBQZOXOEGT-LJQANCHMSA-N 426.901 0.820 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588817 HUTJAKMUKGYFFE-SWLSCSKDSA-N 429.359 0.620 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnn2cccnc12 1835533756 ABJFPJUCTIHLNC-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836827438 BOKUNRSSPKZSCX-UZLBHIALSA-N 434.880 0.300 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837105713 AFBBSCFVQTUKPF-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837123750 ASSJTTHKXBLMHB-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837334545 SALNQIKKRDOYCO-OXFYSEKESA-N 425.913 0.543 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccsc3)C2)C1 1837456193 FEFSLEYWIKWUJS-FQEVSTJZSA-N 445.501 0.130 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837602509 QAHGNWUQAHXGOI-IOASZLSFSA-N 425.295 0.947 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838623061 ZYIPECYWZUFSQY-JQFCIGGWSA-N 446.386 0.881 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838637075 MHNHLEXRGNCJJI-INIZCTEOSA-N 425.913 0.927 50 20 ICGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1838961311 FPQGDZLAZOESFD-XLIONFOSSA-N 425.913 0.422 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150954 CVNPAZOVCBHGDV-WYIDIVSCSA-N 437.320 0.798 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988214 BYWMHBBAONSPGQ-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840154943 LGNPYFSDMWWLBX-AUUYWEPGSA-N 430.860 0.855 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c3c(nn1C)CCC3)C2 1843416694 OWZLTXOXKZQNRN-ZVHZXABRSA-N 437.504 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@@H]1CNc3ccccc3O1)C2 1846385022 LCVRTISVVYMTRX-MRXNPFEDSA-N 429.521 0.826 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 15104194 HWJBDKDRKUMLTQ-UHFFFAOYSA-N 427.508 0.120 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 726241385 GENGMTHYRLJGHG-MRXNPFEDSA-N 429.433 0.658 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn(C)c(C)n2)c1 727113709 VVFZRECULWLLDG-UHFFFAOYSA-N 429.524 0.382 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727364544 XOFBAJIMWFUATP-AWEZNQCLSA-N 428.536 0.400 50 20 ICGD NS(=O)(=O)c1ccc(CCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 728210927 ZXGPWDPVBFNNQE-UHFFFAOYSA-N 438.531 0.851 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 728334762 QVDIQEBQYOSULN-IUODEOHRSA-N 445.394 0.791 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 733359356 NIVKANOHQMMCAN-HIFRSBDPSA-N 426.539 0.875 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 734685784 HMPPUGCDJNWZNZ-MSOLQXFVSA-N 449.552 0.590 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CNC(=O)N1CCc2ccccc2C1 735055996 VVSQUMIASFXDSQ-UHFFFAOYSA-N 434.497 0.609 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 740850186 XZCNRJSZNOFCPF-CYBMUJFWSA-N 441.554 0.512 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 744654416 VJBCMVIFIDQYKD-UHFFFAOYSA-N 438.448 0.049 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1 744931462 BBQLIJZTUWHITN-UHFFFAOYSA-N 434.412 0.559 50 20 ICGD CC(=NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 745602001 BGTXVNSFOOBBQZ-UHFFFAOYSA-N 438.506 0.938 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 746098563 KHVYHNVHYXLWKC-BBVCAZISSA-N 445.472 0.794 50 20 ICGD O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N[C@H]1CCS(=O)(=O)C1 754994264 QXIUNMYTYHGRGC-ZETCQYMHSA-N 439.219 0.628 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)c3c(C)nc4ccccn34)C2)nn1 762555747 KIENNLHDRDWGMO-CYBMUJFWSA-N 426.437 0.712 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763550404 FJEPITZGUJYLBV-UHFFFAOYSA-N 433.442 0.997 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1F 763611610 BHRMQCOVHQBPCF-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)c1 763696248 VLLOREUZQXMBIC-UHFFFAOYSA-N 435.234 0.713 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)cc1 763747841 NXBDLZPMJXKBTK-UHFFFAOYSA-N 446.847 0.571 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807117 KRQPROZFPOMBQM-UHFFFAOYSA-N 439.428 0.434 50 20 ICGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002451 MJMMBYVWDSAJKV-GFCCVEGCSA-N 427.479 0.395 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C1 764204894 VICWUACWTJYOQH-KBPBESRZSA-N 439.538 0.001 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 764232908 TYIIXOSDZVOLCO-ZDUSSCGKSA-N 425.511 0.091 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1I 764295981 RIJQPYFLGGNGMC-UHFFFAOYSA-N 431.165 0.862 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 764366044 JHJIUSAAMBCZEL-UHFFFAOYSA-N 425.445 0.909 50 20 ICGD N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764424979 LQJWAJVZGIGDDL-IBGZPJMESA-N 438.440 0.833 50 20 ICGD CN(C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1)C1CCCCC1 764427822 BZFUWNJXMMYSHX-KRWDZBQOSA-N 432.477 0.593 50 20 ICGD COC(=O)c1nccc2c(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)cccc12 766319347 ANKZXFLTNMRGSK-UHFFFAOYSA-N 432.414 0.354 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766655601 XGEZWVZTBZGISU-UHFFFAOYSA-N 446.939 0.958 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cnn(C(F)F)c1 768234341 TYNRAMWROIVAPQ-UHFFFAOYSA-N 435.435 0.576 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)nc21 770335909 KTHNUACHLJXTDL-OAHLLOKOSA-N 430.444 0.908 50 20 ICGD CC(C)[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 772608359 VCXGPWBFKUQTMC-RDJZCZTQSA-N 440.570 0.847 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COC3(CCCC3)O2)c1 774310432 FCPSBGVFYLWTER-CQSZACIVSA-N 426.495 0.567 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNc2ccccc2OC(F)(F)F)CC1 779552296 PFZYCZSUKBAMJV-UHFFFAOYSA-N 425.433 0.789 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 780943597 LZHCYNQKUKEMKG-CQSZACIVSA-N 435.481 0.852 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)sc2c1CCC2 784005046 XWDOYTHEISDSQL-UHFFFAOYSA-N 448.457 0.522 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1 787541022 ILVXEPKSZUPLQJ-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OCCOC(C)C)c1 789742941 DRMACJUUZLHEBD-ZDUSSCGKSA-N 429.495 0.630 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 790587067 TUEWIAYVXVSDQR-OKILXGFUSA-N 432.440 0.924 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cn(C)c3c(cnn3C)c2=O)c2ccccc2c1=O 791196019 XCFJADFNMXOMPE-UHFFFAOYSA-N 435.444 0.638 50 20 ICGD O=C(Cc1ccc(I)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 792591564 MIMKTGMSHDUPBC-LLVKDONJSA-N 437.259 0.351 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 801798232 RPUOHGBGKCHBOT-ZDUSSCGKSA-N 443.526 0.599 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804953551 UWFZRVQVBFQYDJ-JSNVTFDYSA-N 446.471 0.909 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(C)ns2)c1 806972642 DUIUYEJHNKCCRQ-UHFFFAOYSA-N 439.519 0.882 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2N1 812535856 ISFPAVPGOPPPFI-HNNXBMFYSA-N 432.414 0.117 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 816881960 TXXDQKDUYJVKPR-GFCCVEGCSA-N 447.502 0.559 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 913081615 VROOMAGQVFKNFV-GOSISDBHSA-N 433.472 0.866 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 916518991 VMNAFTSSENCNMY-UHFFFAOYSA-N 436.469 0.295 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nnn1-c1ccccc1 917919831 YQASRDBIBVDWBS-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919691952 GNSHRCBBGDJSGM-KBPBESRZSA-N 425.507 0.661 50 20 ICGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885286 KTIICNYUEKPTHK-WMLDXEAASA-N 449.533 0.369 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C 919885777 RCCILIRSLPOZQL-CQSZACIVSA-N 446.551 0.157 50 20 ICGD CCCCc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919887264 YXDGZVHRGKACDY-HOTGVXAUSA-N 436.534 0.900 50 20 ICGD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888524 FDTDEPQKZSVMFT-JOYOIKCWSA-N 432.911 0.660 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCC[C@H]3N(C)C)nc2)CC1 1318464995 NQCDVQLBPSYRIN-IAGOWNOFSA-N 439.586 0.517 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1779037555 CMUQXHTWTBTJFW-CVEARBPZSA-N 425.382 0.537 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097472 BZIDSFYTSIKSIE-TXPKVOOTSA-N 445.402 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1783936613 XUBAJHDUFDTJKF-NRFANRHFSA-N 446.483 0.290 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C[C@@H]21)[C@@H](O)CCl 1784090866 DOAPUZNZBIIOEF-HLHNXRDNSA-N 442.303 0.804 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1n[nH]c2ccccc12 1788332850 ZJPIRNIUPARNAZ-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CCS(C)(=O)=O)CCC2)cc1 1791603010 ATCKJQLTDHFGLU-UHFFFAOYSA-N 438.550 0.928 50 20 ICGD O=C(O)CSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791609163 GMQOPTQPKSLZQB-UHFFFAOYSA-N 442.302 0.932 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)[C@H](O)CCl 1792974777 BVMPIWHTRNFMIW-NOXHYTERSA-N 437.859 0.209 50 20 ICGD Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1C 1793300475 INHLXIQAASNIRM-RBVVOMGSSA-N 425.493 0.222 50 20 ICGD Cc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1793914981 DSFSPFWXEWKUAN-OPMZPASUSA-N 431.537 0.285 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccn1)C2 1797751563 HLOZUEAILBJKOT-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2 1798476908 QIVGGRAXICYUGN-WNBCSMFUSA-N 433.299 0.903 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1798526195 ZRGVDNNIKCCGRI-HBCWATKFSA-N 445.428 0.702 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1799268192 QXGAQLCJEPDUQN-YGTYGHESSA-N 434.924 0.947 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806075339 DYFVFHXZDOBNAX-YJBOKZPZSA-N 431.537 0.937 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360462 KPIIFDLXFLPPMA-GHTZIAJQSA-N 447.304 0.735 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376245 URLMYGJPLJGAOG-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)no1 1810372395 FWXDXNGITFHUQL-YXJHDRRASA-N 449.895 0.414 50 20 ICGD CCc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1811010526 KPWPGTINFSRVLE-UWJYYQICSA-N 448.288 0.945 50 20 ICGD COCCOCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071010 LXTRGHKRJYDXEM-UWJYYQICSA-N 435.525 0.123 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1 1813072361 ATWKGOVZVWAMHA-UWJYYQICSA-N 442.524 0.142 50 20 ICGD O=C(CN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814482286 KGJAHIBCGBPELK-GOSISDBHSA-N 425.298 0.491 50 20 ICGD Cc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1F 1815355699 YMPZDDPQVCPMHW-GFCCVEGCSA-N 443.269 0.533 50 20 ICGD Cc1nn(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815410083 HIUKOVDMSLYUMT-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815581117 GYVAOQKLVGYRGC-SFHVURJKSA-N 441.297 0.264 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2 1819793771 SNJWNFRJEYHMKU-MRVPVSSYSA-N 444.502 0.533 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1822859390 CDKBGGXXRAGALZ-AYOUHGRWSA-N 448.332 0.890 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)sc2C1)c1ccc(B(O)O)cc1 1824651570 VCMPNFNWYQMUEI-DLTLXFJOSA-N 441.343 0.924 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1826082655 AIWZFVYVWWVIQB-LLVKDONJSA-N 449.537 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826146144 NKRIKKNNZODUAP-HTQZYQBOSA-N 442.847 0.987 50 20 ICGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830724324 FVVFVWZHNQYVDG-DNVCBOLYSA-N 427.885 0.068 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830737746 ISNTUKKUNWKRAC-FPDPHYFHSA-N 435.908 0.983 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833482176 BZYCYQJGPSUFHE-WFASDCNBSA-N 425.954 0.773 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497551 NNJYTBZXWPWVRT-XIKOKIGWSA-N 426.857 0.262 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cccc1=O 1834819233 KYOQTMQMPDBPNS-GOSISDBHSA-N 442.310 0.240 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)s1 1834822450 NWLBACZDPFJHLK-MRXNPFEDSA-N 447.355 0.630 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835629072 NPWIMASAIVVYDZ-QFYYESIMSA-N 431.287 0.419 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835990760 BUAWMMPYIFTZMG-KDOFPFPSSA-N 443.342 0.593 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837095840 YIBPJOPAPOBCFH-WMLDXEAASA-N 445.289 0.590 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1838071970 CERRJNZTTGFENQ-UHFFFAOYSA-N 434.541 0.324 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)C1 1839066770 SNAVMOJMEWNSMY-PXNSSMCTSA-N 427.618 0.636 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839147730 ASLYIBLPCYGSKA-AUUYWEPGSA-N 433.933 0.985 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201723 HNGOSCFJEZSWSA-RHSMWYFYSA-N 447.257 0.858 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839543237 LOTJGEBDLSWFCB-DYESRHJHSA-N 448.907 0.954 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1839964626 XNCIHJVOFMPPNJ-DCGLDWPTSA-N 449.346 0.063 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188283 AOPVMMFUZGVADT-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840885769 ATXZIZHISGIKIL-FZKQIMNGSA-N 449.342 0.816 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(Cl)n1 1844563486 WPEMKGRLFGUDOC-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr 1847499203 UEGCISCTSPOJAE-JURCDPSOSA-N 438.326 0.828 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c2ccccn12 728845810 JZVDMWRHQHRNIQ-UHFFFAOYSA-N 443.489 0.205 50 20 ICGD Cc1ncsc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729615721 CCYCWWQAPSQBFV-UHFFFAOYSA-N 439.519 0.617 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 729626203 LKQXRHATPFQBJD-HOTGVXAUSA-N 448.520 0.806 50 20 ICGD COC(=O)N[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(C)C 731052399 OGJLMTVMIXCMEE-INIZCTEOSA-N 427.527 0.446 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 731355214 YTFYOFKCHRYZNC-UHFFFAOYSA-N 446.957 0.856 50 20 ICGD CCN(C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O 731355217 ZEYHOELAJHVQTD-UHFFFAOYSA-N 427.483 0.102 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)C2CCC2)c([N+](=O)[O-])c1 732142087 SFBBZWUCLHJWGV-UHFFFAOYSA-N 428.467 0.952 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)CCc3ccccc32)cc1OC 732375206 CAOSEICVXFFDQQ-UHFFFAOYSA-N 441.440 0.987 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 732575619 FYDKQZKBAMQXTQ-FZKQIMNGSA-N 425.445 0.535 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734242081 RLNXLHNQYZCTGY-UHFFFAOYSA-N 441.510 0.620 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 735658422 BCYBTXFHFNXQHG-HNNXBMFYSA-N 432.485 0.620 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)C(C)(C)C)cc1 749421055 PJEVUXLGDYNJAR-UHFFFAOYSA-N 427.527 0.108 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751208504 FJFDIWGIXDEVFF-JTQLQIEISA-N 449.420 0.726 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N(C)C 751209238 NGQRNIDNOPMEPF-UHFFFAOYSA-N 440.503 0.198 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NNc1ccc(-n2cccn2)nn1 752688571 JSOBQIOMYKSTQK-UHFFFAOYSA-N 442.914 0.982 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNc2cc(Cl)nc(N)n2)cc1 753453292 DHKREXRVZUAQAW-UHFFFAOYSA-N 427.874 0.482 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cncn1C)N(S(C)(=O)=O)CC2 755571554 CNYGKAOEJQXMJA-INIZCTEOSA-N 435.506 0.837 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755848516 LYZABKBDPMVFAF-UHFFFAOYSA-N 444.473 0.586 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 756184329 ACYFRHAXSKNONO-SECBINFHSA-N 434.400 0.982 50 20 ICGD O=C(NNC(=O)c1ccc(I)c(O)c1)C(=O)Nc1ccccn1 760912607 ZZJDIFAVMLDHLT-UHFFFAOYSA-N 426.170 0.792 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(N)c1 761248898 CWDWZXYAPNCCLY-UHFFFAOYSA-N 430.442 0.552 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)c(NS(=O)(=O)C(F)F)c1 761477969 NVZXTLSDEAKYDE-UHFFFAOYSA-N 436.418 0.678 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)n[nH]2)cc1OC 763146116 BJWXFOWGIBFNPP-CQSZACIVSA-N 444.492 0.265 50 20 ICGD N#CCCn1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 763530880 KFKHQNDBXCSEHR-UHFFFAOYSA-N 438.492 0.095 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763569805 BZTSHWDJRBQKFY-GOSISDBHSA-N 440.412 0.509 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 763639911 LWKZTLSUGBZSRY-UHFFFAOYSA-N 426.355 0.726 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 763760430 OOLVSQRHYSECHL-UHFFFAOYSA-N 445.501 0.593 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c2ccccc2O1 763849576 KIAUTVZQAALQAF-YVEFUNNKSA-N 444.419 0.281 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)cc1 763867353 UWXSVHLZZBYMQW-GFCCVEGCSA-N 432.433 0.764 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(F)c1 765118068 IFGFCKMEGAZVKY-UHFFFAOYSA-N 445.476 0.465 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767853516 UNTCHOVQFQNOTC-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD CN1C(=O)C[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@H]1c1ccc(Cl)cc1 768989475 XQVRUDMQCFNLIA-XJKSGUPXSA-N 430.852 0.976 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn(C)c(Cl)n2)c1 769821999 FKHPQFNVIMYFME-UHFFFAOYSA-N 449.942 0.727 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NNC(=O)[C@@H]3COCCO3)c2)c1 769935453 NCNMRJDNYJKDLE-SFHVURJKSA-N 445.428 0.838 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1CCCS1(=O)=O 772883544 CUCWBFIVJDRGTR-AWEZNQCLSA-N 430.914 0.164 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 773411656 PNXMGHLJCNHNSL-CHWSQXEVSA-N 435.568 0.701 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)cc2)CC1 782833451 IQUKJWKITJQLRD-UHFFFAOYSA-N 439.472 0.108 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782837688 PJKKMAAYKXHMAL-LBPRGKRZSA-N 442.428 0.473 50 20 ICGD COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782897615 RENLDOIKEPAJRZ-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785067824 PPYHTXGLABZNMW-UHFFFAOYSA-N 449.876 0.720 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNc1nccn(C)c1=O 785090652 WFVUCKPYVXXJLC-UHFFFAOYSA-N 438.238 0.801 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1N1CCNC1=O 787548653 GEGOUDRTLNYENR-UHFFFAOYSA-N 425.445 0.827 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 788167222 YZOVTTHNYVNQEY-UHFFFAOYSA-N 439.519 0.856 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)ccc21 789815212 BUPCGYGOXFSGQN-YJBOKZPZSA-N 437.456 0.536 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 794077490 WHMZNZDIPQJUND-UHFFFAOYSA-N 426.476 0.012 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 801106769 GRLYSNJUXTWQJE-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 802067992 VALHTFYMQNFSRQ-UHFFFAOYSA-N 429.458 0.997 50 20 ICGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 812533748 FZKXIRWQVXGGDO-DLBZAZTESA-N 440.566 0.367 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Br)c(F)c1 815692350 OZBQVSPCQCSHRI-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 864234351 QLDSMGBDBHSBAJ-GFCCVEGCSA-N 429.260 0.079 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 914749334 OCGHDRKNKFSQPC-JTQLQIEISA-N 435.428 0.460 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN4CCC[C@@H]4C3)nc2)CC1 916573741 OHYNMPAWSCURTB-JKSUJKDBSA-N 437.570 0.271 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1CCCS1(=O)=O 918205096 GMURNRIYZHVPCQ-LLVKDONJSA-N 434.312 0.789 50 20 ICGD C[C@]1(NNC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCS(=O)(=O)C1 920284200 BZDKWIYOKZQXCV-SFHVURJKSA-N 425.507 0.845 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1C(=O)CCC1=O 1251653814 OVYJWYLWUXOGAS-CQSZACIVSA-N 447.451 0.743 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1780707472 SCGAHUYYSARTSB-NXOUGTEYSA-N 449.335 0.288 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1782171242 VPIYLWKGISXCMQ-STXHMFSFSA-N 440.928 0.768 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209043 IIRWKKNSXQLQOI-VGOFRKELSA-N 448.568 0.537 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1782468446 JUTVAYXKGGEIBW-OAFZBRQQSA-N 443.907 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1783932781 FHRYUGXXKBOOBG-JOCHJYFZSA-N 446.935 0.894 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)[C@H](O)CCl 1784092813 MOOMLIMEHBMHAY-RKLWJJNISA-N 427.841 0.493 50 20 ICGD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786853474 LROLDTHZDZDHGO-SMKMMKTPSA-N 432.525 0.100 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1F 1786984750 FLBSSUWHMFBUIP-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1O 1790013701 HXGAMWWAEFXWDT-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1792870750 KKAJDSXCDSBUPQ-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD COc1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794683527 MMCJCNKPGYVKBY-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD Cc1cccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)[nH]c12 1795738782 FXASEXIOMSEDDD-OPMZPASUSA-N 447.300 0.673 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102585 GIZUDDGTAQGBKD-XHSYRHOGSA-N 427.255 0.161 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H](F)Br 1799349883 MPZDALKHEIZEIP-WYZRLVBSSA-N 436.278 0.796 50 20 ICGD CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011871 NPWBGQPXHXJQLP-VPTLXERWSA-N 432.521 0.662 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CCCCO1 1802584500 LLZJFUYKJIMWDV-TYPHKJRUSA-N 437.305 0.650 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803139035 JDUYFTCXDQCIOZ-CWRNSKLLSA-N 444.879 0.749 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803573471 BRDOGINPPCAPIN-VBQJREDUSA-N 429.926 0.593 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360521 KSTZWLKOIVUGOF-UTKZUKDTSA-N 449.272 0.480 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]1c1cccnc1 1813071957 ZXHCNTHJVBJWNP-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD C[C@]1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCCN1 1815343878 UMPDBNBMEJZEFE-JLTOFOAXSA-N 428.323 0.191 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc[n+]([O-])c1 1816055644 LHHFKRGRXUQXPC-SFHVURJKSA-N 435.249 0.343 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474542 ULEVUDCPFYHYSY-ROUUACIJSA-N 425.298 0.490 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817599516 HOPBOUZYOYXNAT-LBPRGKRZSA-N 443.319 0.522 50 20 ICGD CN(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402073 LNYQHQMVZLYQMR-INIZCTEOSA-N 428.497 0.666 50 20 ICGD N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932929 VKPDFBKGJKYAIB-ZWNOBZJWSA-N 430.282 0.932 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825076616 IVQSMSHOVWJRMA-YUTCNCBUSA-N 443.342 0.988 50 20 ICGD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054727 KDDUMKLXJKQKML-JSXRDJHFSA-N 426.322 0.492 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1830537772 ODYAGUWENYPDGS-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538595 KOPUFQMOPYJDJP-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830725981 MZWJGXAYUOWPAJ-UZLBHIALSA-N 441.912 0.079 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1C 1830945195 FESNGTVVYFXLLC-FQEVSTJZSA-N 426.945 0.992 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1831649787 BTMTVQXWBHGAQX-PXNSSMCTSA-N 430.977 0.098 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833438656 BYMNRASOQHOJKB-AUUYWEPGSA-N 428.917 0.906 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762265 MRVCFVSFGQKLOY-OAHLLOKOSA-N 441.960 0.421 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834584583 NVRKMXYXMLVDLC-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cc(O)n1 1834821293 FLLJEXWSODJYPB-SFHVURJKSA-N 442.310 0.951 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835766204 XHMYPCMBUOCXAC-KNORYGFTSA-N 444.960 0.687 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)[C@@H](F)Br 1836414719 ZZGCCEKCPYWSGK-MRXNPFEDSA-N 445.337 0.930 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034071 ZTJIBZXETOHYNY-APPDUMDISA-N 429.315 0.880 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840034595 QWQHCMMSPMEICI-ACJLOTCBSA-N 443.342 0.836 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840323988 OQCNQDSGRAHGMW-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CBr)C1 1841287922 ODXQXHXDYNSXAC-RISCZKNCSA-N 433.299 0.716 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844304788 RBLHCJNMKWUVAC-UHFFFAOYSA-N 447.455 0.866 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1847598624 UWHJSVGQSLOILN-MLNNCEHLSA-N 434.301 0.478 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 10160003 NXQNXFDCKYENFI-UHFFFAOYSA-N 429.458 0.951 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1OC 10793413 TXJSRDYNSNHNRN-UHFFFAOYSA-N 427.460 0.283 50 20 ICGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1cc(-c2ccccc2)on1 22429464 IPCPJWLFMWLLST-UHFFFAOYSA-N 434.206 0.415 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 28686732 BLZRQASVUVOQNF-UHFFFAOYSA-N 448.457 0.755 50 20 ICGD CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728333409 XQBXIZBYQNPCND-YOEHRIQHSA-N 433.461 0.554 50 20 ICGD COCCn1nc(C(=O)NNC(=O)c2cc(OC)ccc2Br)ccc1=O 728528803 NGHVCAKSOKUVLF-UHFFFAOYSA-N 425.239 0.736 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cccc(C(F)(F)F)c3)cnc21 729964259 ZPCZTHHEICYQRI-UHFFFAOYSA-N 443.363 0.676 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 731181889 ZRVRLTHDIWJCHC-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732325444 ORZORFRDOPXBHN-OAHLLOKOSA-N 447.448 0.827 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 732474428 MDRMFFQWWAKCMF-AWEZNQCLSA-N 429.455 0.027 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 733150171 JVMNDQNUGMYDKM-QZTJIDSGSA-N 443.552 0.173 50 20 ICGD COc1cc(C(=O)NNC(=O)NNC(=O)COCc2ccccc2)cc(OC)c1OC 738447984 SBEWTHIYKAMYNJ-UHFFFAOYSA-N 432.433 0.904 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 742034935 RWEQQMXZXDLGQW-UHFFFAOYSA-N 437.449 0.528 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc(OC)c1OC 743506108 KZIMMPFRSINWBP-RISCZKNCSA-N 446.464 0.584 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)CNC(=O)c3cccs3)CC2)nc(C)n1 749618103 OFSQFEMNSKKBJE-UHFFFAOYSA-N 431.522 0.884 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 750096777 HADJKFUALXZDED-GUYCJALGSA-N 427.413 0.336 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 751211657 JHASSKQJTKJAPQ-CYBMUJFWSA-N 444.469 0.659 50 20 ICGD Cc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Br)c1 753714434 NWSPQMRLEGWTAO-UHFFFAOYSA-N 433.266 0.655 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753968807 YBADZDQCJKBCAZ-GFCCVEGCSA-N 428.486 0.880 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)cc1 755546036 LKMSWDJRVJHXBJ-UHFFFAOYSA-N 425.401 0.693 50 20 ICGD COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 756500360 HIRPUPGNTRIWQM-GDBMZVCRSA-N 436.509 0.328 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)c(I)c1 758032121 ZQYKUTVVGBUSCI-LURJTMIESA-N 429.211 0.129 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 758675371 GTTGQOBGIGRDGM-ZETOZRRWSA-N 446.888 0.516 50 20 ICGD O=C(NNC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)Nc1ccccn1 758832136 TYQAXLUBDRYSNY-JLTOFOAXSA-N 443.460 0.897 50 20 ICGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 759095084 CSNLAHODFYEJBU-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD CN1CCC(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 762911450 MKFFNXNWXQGWHE-UHFFFAOYSA-N 441.400 0.991 50 20 ICGD COCCc1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n(C)n1 763639767 RSTITPLNRPPUKR-UHFFFAOYSA-N 443.382 0.793 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763684529 MVBDUSGUKGXLOL-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)c1 763771114 FVGJGTHVLWKRGY-UHFFFAOYSA-N 441.488 0.855 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)c1 763774577 DTLKVKQTFGZOFT-UHFFFAOYSA-N 438.444 0.938 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763808279 IPBBCEUEBJRRGF-UHFFFAOYSA-N 425.445 0.793 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 763848084 GZPCDGXBLNBRQZ-AWEZNQCLSA-N 448.501 0.765 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764192798 MWXOEXIMSQZEAJ-UHFFFAOYSA-N 430.486 0.945 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 764229938 FSYQXEZWURBZHC-QMMMGPOBSA-N 425.492 0.197 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 764232903 TYIIXOSDZVOLCO-CYBMUJFWSA-N 425.511 0.091 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)ccc21 764360195 UMLMVJVYCGVENB-UHFFFAOYSA-N 439.476 0.643 50 20 ICGD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427821 BYCFUFNXFDOTBX-QGZVFWFLSA-N 426.429 0.749 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)n(C)c1=O 765313506 RLJBLHUEZNHOQB-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1ccc2nnnn2c1 766659311 AJZVUKSGWMBVMS-UHFFFAOYSA-N 428.884 0.357 50 20 ICGD COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cnccn2)cc1C(=O)O 772856604 GMQDDFXKDUUVGY-UHFFFAOYSA-N 431.224 0.569 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(C#N)c3)cn2)C[C@@H](C)O1 773686452 ZGBFUAHDNUVWJX-ZIAGYGMSSA-N 425.449 0.472 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)(N2CCOCC2)C1 775151670 ISWDMXUFZIYYBR-UHFFFAOYSA-N 437.453 0.514 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 776076908 PADDOGNRFRYBPO-WRSAYESZSA-N 429.470 0.660 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 776541470 YLVSRFNHNYAFJJ-HXUWFJFHSA-N 428.470 0.927 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 779777047 MVXHQCDXNLDXLI-QGZVFWFLSA-N 437.504 0.448 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)C1CC1 786056781 QVCOJOCXTUEBAN-NSHDSACASA-N 436.412 0.175 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 788496729 XUSUIKAWUVFFJQ-WMZOPIPTSA-N 447.469 0.383 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)NC)CC2)cc1OC 794786140 ZZCPPUJHADJSAO-UHFFFAOYSA-N 442.538 0.811 50 20 ICGD CC(C)(O)[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 795764169 OGNMSKMDOZPGSJ-IEBWSBKVSA-N 444.440 0.736 50 20 ICGD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 802566528 UGHQXVHOZCAMCP-CYBMUJFWSA-N 434.449 0.717 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 806097574 ULYFXUILMUZTEO-UHFFFAOYSA-N 444.477 0.832 50 20 ICGD Cc1cccc(CCCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 807427501 WUSFTPFSYROLEE-UHFFFAOYSA-N 447.565 0.980 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCn2cc(Br)cn2)c2ccccc2c1=O 807529379 RKSLHZIBUKHCDE-UHFFFAOYSA-N 434.254 0.537 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 812728564 PPIAFTBHAOYZSE-KRWDZBQOSA-N 448.480 0.639 50 20 ICGD O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 812906428 CTKHJHSVWOLMLS-UHFFFAOYSA-N 427.373 0.742 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 815750999 OTZKHMQTYSNVNE-UHFFFAOYSA-N 432.458 0.984 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)cc(OCC)c1OCC 816814608 WXCVHFTVMWRWGW-UHFFFAOYSA-N 446.526 0.382 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(OC)c(OC)c2)s1 916233322 SYDKCOCYWHIHAO-UHFFFAOYSA-N 428.492 0.818 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1OC 916267502 RXQXKMRXQVZQRM-UHFFFAOYSA-N 443.508 0.650 50 20 ICGD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884718 KSSFPDZWFWCYDQ-GWCFXTLKSA-N 432.499 0.403 50 20 ICGD CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780770234 JHGWAHZAMIFBKH-AXAPSJFSSA-N 437.310 0.462 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325249 AVTWOTTWZASIKE-DOTOQJQBSA-N 440.273 0.952 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)c(=O)[nH]c1C 1781326257 MMDQXGGDDSUIMK-LRDDRELGSA-N 431.262 0.521 50 20 ICGD C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781799467 VTWGJCIOAZCNDF-YLJYHZDGSA-N 436.264 0.705 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1782864982 ZNLCQVRJZVSZKM-WTKXUXAGSA-N 444.438 0.980 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783340047 WLDNQDRIEGKFCE-GSNRHRRFSA-N 428.327 0.848 50 20 ICGD CC(C)(C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1784275061 HKGLIWIRVCKMFW-HSZRJFAPSA-N 437.305 0.183 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788637847 FVZSGBMPOSMLBI-JCECYMMASA-N 446.928 0.868 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21)[C@H](F)Br 1789922913 NTRFWJLZSNLOMU-ZQCZZBHPSA-N 433.234 0.172 50 20 ICGD Cc1ccc(O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791290978 ULEGBBNJQDCXPW-IEZWGBDMSA-N 432.521 0.667 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]21 1791292478 UDOIJYXACJEXOY-JBACZVJFSA-N 442.560 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C[C@@H]21 1791293721 DVAFZPAMJXUGQH-ZULIPRJHSA-N 443.548 0.376 50 20 ICGD O=C(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)Nc1ccc(F)cc1 1792978593 HWWLLTMDEVDBCV-ABXQLRGKSA-N 427.860 0.344 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(F)c(OC)c1F 1792979684 BCBUNXKKGLLSFI-FXZYXXQUSA-N 448.850 0.785 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21)c1cccc(B(O)O)c1 1793955529 GLDSOLSUNVRSSW-BCDXTJNWSA-N 433.277 0.063 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3occc13)C2)c1ccc(B(O)O)cc1 1795734576 LUGHFPDIMQJPCO-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442708 PTKYGXYCDCIPEV-BASYENTBSA-N 430.509 0.242 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802079062 RIGCRTLKPFJONE-QEPAVKMUSA-N 426.853 0.006 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(F)(F)Cl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366749 GVLXXRSMYJCSOA-GOEBONIOSA-N 437.639 0.913 50 20 ICGD Cn1cc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cn1 1810021721 ULMDIDHKFZWLBA-UHFFFAOYSA-N 438.337 0.578 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)COC1 1812489583 ZNPLBTPLFRNCGD-UYAOXDASSA-N 437.305 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1813073418 MJGYQYUTSQETHU-HNAYVOBHSA-N 441.492 0.270 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1 1813074556 UIOZHGDQJHTNAO-WAOWUJCRSA-N 431.537 0.887 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)[C@H]1SC(=N)NC1=O 1817246045 YSVAPIFSHBSEID-NONSRLQASA-N 445.954 0.457 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)[nH]n1 1819404454 MIRIMHPKNMKFRX-KKBFJZEXSA-N 439.476 0.607 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1826004980 XIWIULHZSMABQI-GBIKHYSHSA-N 435.955 0.886 50 20 ICGD COc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080519 PCOOOAZUIQIFDF-NSHDSACASA-N 447.521 0.541 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830199809 NCIKMTYRXZPAGH-IFXJQAMLSA-N 427.885 0.876 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1830334528 GEYXCTOLBLFPBS-QEORTHHSSA-N 434.331 0.141 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725168 LUVXNTNTPIKPHY-KBXCAEBGSA-N 432.304 0.334 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252152 RCCBMGWFADNILV-IINYFYTJSA-N 448.797 0.815 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835402385 DCFNLXUBOJVJAN-PXNSSMCTSA-N 430.977 0.098 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838991824 LEIFROVPMMUARP-QHCPKHFHSA-N 446.548 0.692 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839153590 LOJSFSRTFMWJTI-DLBZAZTESA-N 433.292 0.489 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839410287 VMMWXYXYRPZOBZ-SCLBCKFNSA-N 434.823 0.340 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840149503 RHIGAMHQWPKDNF-ACJLOTCBSA-N 433.839 0.684 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188640 VJZNQTNQIIBOCR-QGZVFWFLSA-N 433.292 0.539 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccn(C)n2)C1)NC(=O)NCc1ccccc1 1842467826 PDWIEFBPTPZXSW-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014254 QMBWXXMUHDWVBK-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CN1N=C(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCC1=O 16228535 MYBVLXZUOXSCLB-UHFFFAOYSA-N 432.440 0.814 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 19610448 UADRCIMGTFYRHG-UHFFFAOYSA-N 444.853 0.228 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 26974153 IAXVURFHZJLNKM-JTSKRJEESA-N 438.440 0.749 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1C 725886626 SHCNQHRBTCHTPC-UHFFFAOYSA-N 429.502 0.940 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCC(=O)NC(C)C)c1 727268201 CTVNRPYFRKDGMA-UHFFFAOYSA-N 429.568 0.351 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 728203772 NLBKUUHROUIUIA-UKRRQHHQSA-N 431.942 0.990 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOCC2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728338892 OMDGTFQXOPGJKX-LJQANCHMSA-N 441.440 0.667 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCOC[C@H]2C)c2ccccc2c1=O 729614882 TYEWPMICEQTILZ-OAHLLOKOSA-N 430.509 0.861 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 732054291 SAGQZNRZMJQIOP-UYAOXDASSA-N 446.548 0.931 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)nn1-c1ccccc1F 732259921 LEWQLEWTORAOEJ-GASCZTMLSA-N 431.468 0.940 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 732260476 DSZOFQCYXLBWGS-SOLBZPMBSA-N 432.521 0.690 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nn1-c1ccccc1 732262753 XVOGKMUBFVKMMR-UHFFFAOYSA-N 431.412 0.937 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1 733793675 QALPUCQCIUDBRZ-UHFFFAOYSA-N 427.211 0.190 50 20 ICGD Cc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)[nH]c2c1C(=O)CCC2 735116771 FCOCQKIHBJBBDH-UHFFFAOYSA-N 446.533 0.930 50 20 ICGD Cn1c(NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)nc2ccccc2c1=O 741216383 UDJFGXBPDQVXJM-UHFFFAOYSA-N 430.465 0.456 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 741880406 PVNAPKDBHQVPBF-UHFFFAOYSA-N 446.485 0.142 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)CC(N)=O)ccc1Cl 742241656 STHRPDYAKJVJCA-UHFFFAOYSA-N 440.865 0.786 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(Br)c[nH]1 742489194 PJVACFKTXVUMMK-FPQZTECRSA-N 425.239 0.091 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)cc1Cl 743553031 WAWDUDMJYCRDLP-UHFFFAOYSA-N 437.906 0.974 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1C 745882908 KHUHMTWBDFDOML-HNNXBMFYSA-N 427.465 0.501 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1cnn(C)c1 745919939 XOKQJAARNHDOKT-ABAIWWIYSA-N 449.493 0.353 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N2CCOCC2)c(C)c1C 745992484 BMPUJUGXQZFIIW-UHFFFAOYSA-N 426.539 0.970 50 20 ICGD Cc1nnc(NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)nc1O 747470689 ZNHOORFPXXJNGB-GOSISDBHSA-N 447.455 0.842 50 20 ICGD Cc1nnc2n1C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)CC2 750787820 KJMIKCJUNLRXEF-HNNXBMFYSA-N 433.538 0.228 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F 755914540 DYDVZLOCFMGODW-ZCFIWIBFSA-N 432.352 0.980 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 763551823 SLNPYPQSNUNOHT-BETUJISGSA-N 441.444 0.824 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763808366 MKLYPYXWEGUWIY-UHFFFAOYSA-N 444.469 0.576 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)n1 763893724 XZVDDDJGOXQXME-LJAQVGFWSA-N 431.396 0.913 50 20 ICGD N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 764002616 OSEBJYPSGLJKDA-CQSZACIVSA-N 442.453 0.871 50 20 ICGD O=C(CNC(=O)c1ccc(F)cc1)NNc1ccccc1S(=O)(=O)N1CCOCC1 764199611 QFVOYUKVCOLAQB-UHFFFAOYSA-N 436.465 0.720 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 764233357 VNANZJJILYLYJL-LBPRGKRZSA-N 442.563 0.886 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc21 764278187 UQGKCFRZWTYXQB-UHFFFAOYSA-N 427.417 0.553 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1S(=O)(=O)NC1CC1 764370475 RMIHSPFEZXJVSU-UHFFFAOYSA-N 436.446 0.437 50 20 ICGD Cc1nc(C)c2c(C)c(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2n1 764820254 YRHYPPLMLGUPIP-UHFFFAOYSA-N 440.489 0.514 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 766272900 YMXYGHQNZYUDJJ-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 767751832 QYZCRENOGBXBLV-UHFFFAOYSA-N 445.545 0.950 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)ccnc12 769853464 YFAWOFFOZGFNAM-UHFFFAOYSA-N 436.384 0.396 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNc3nc(O)c4cnn(C)c4n3)cc12 770989970 KDGDVGXOOFGADV-MRVPVSSYSA-N 429.466 0.587 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 772003568 KIKZTKWLJCLFJB-OLZOCXBDSA-N 429.495 0.085 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n1 773725973 DDGXHNOJPVASHG-UHFFFAOYSA-N 439.476 0.854 50 20 ICGD O=C(NC[C@H]1COC2(CCCCC2)O1)NNC(=O)c1csc(N2CCOCC2)n1 775715320 WWNDNVINVUPPCZ-ZDUSSCGKSA-N 425.511 1.000 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437008 RIRKYUCUDWHPEP-UHFFFAOYSA-N 428.511 0.308 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c2ccccc2c1=O 781929426 IJIIDNYLTAGHTC-MRXNPFEDSA-N 436.384 0.796 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(CCOC)nc2C)c1 782537931 OIAGKINKVNSIFY-UHFFFAOYSA-N 437.522 0.943 50 20 ICGD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005194 TZOORAJGVAKCJC-UHFFFAOYSA-N 445.501 0.711 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789736008 YNVIADSRABETDH-RCWTZXSCSA-N 429.524 0.070 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789810401 NBOFKGXXMFLUOW-ROUUACIJSA-N 445.497 0.890 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1C(F)(F)F 790959751 RRIRWWJHPPNQQQ-UHFFFAOYSA-N 428.323 0.823 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1Cc1ccc(F)cc1F 791125309 IUFTUMGHURHOJZ-UHFFFAOYSA-N 429.387 0.499 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(-n2cccn2)c1 792367376 JTPYNWAZSHIBMS-UHFFFAOYSA-N 433.428 0.857 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc(Cl)cc1C(N)=O 793025448 KWBCZCYSRAKTHG-UHFFFAOYSA-N 434.836 0.750 50 20 ICGD C[C@](O)(CO)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 801976295 UIKGTZCJEFLHQB-OAZIQKMDSA-N 431.880 0.845 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2[N+](=O)[O-])CC1 802026969 ZDJKMOFTIUAJIH-UHFFFAOYSA-N 427.421 0.547 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 805375188 ZSXAFGMBTIXDQT-UHFFFAOYSA-N 433.446 0.781 50 20 ICGD COc1ccc(Sc2nsc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1 809923935 XIIMUQVGEGLAKR-MRVPVSSYSA-N 446.536 0.788 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nc(N(C)C)no2)c1 812220220 CQSNJFKLJCOAIA-UHFFFAOYSA-N 439.498 0.310 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 815780055 HKPOTHQYWFPFFR-MRXNPFEDSA-N 426.477 0.860 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 822053674 AOLPRGVRZJKACY-UHFFFAOYSA-N 429.458 0.612 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1 906469012 YEEWCFUWERDLKC-UHFFFAOYSA-N 425.492 0.275 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cn1 915058866 ZFQWLIJTEJWACZ-UHFFFAOYSA-N 433.446 0.332 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1ccc(Cl)nn1 915921838 LOJIOLMUEFDPDT-UHFFFAOYSA-N 426.886 0.977 50 20 ICGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 916117624 DEKVANOHOLBQHY-ZDUSSCGKSA-N 429.568 0.223 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc2ccccc2cc1O 918781175 LCPJLPFUUVMBIN-GJZGRUSLSA-N 431.470 0.342 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 920339945 NGNMHQRGMFXGOM-UHFFFAOYSA-N 436.446 0.798 50 20 ICGD Cc1c(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccn(C)n1 1261238516 GIBANWMBTRFUAG-UHFFFAOYSA-N 432.485 0.717 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)c2ccc(Br)cc2)C(=O)NC1=S 1321467692 WVSDMVNXKVOXBY-DHZHZOJOSA-N 427.280 0.457 50 20 ICGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1338408717 SBJZBIJRSIXWTK-LJQANCHMSA-N 446.529 0.647 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1777921943 QYXUOXQZMWCMGD-QHCPKHFHSA-N 443.548 0.495 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1778236917 SSXICDIUVHHEBE-AUSJPIAWSA-N 445.944 0.673 50 20 ICGD N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029797 ZECJSLLILCBTCJ-HSZRJFAPSA-N 448.483 0.243 50 20 ICGD Cc1ccn(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780228465 WGVSJANCNXBKBZ-VGOFRKELSA-N 433.553 0.834 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 1780499376 RPFAQJVSWWKOJA-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 1780715886 WPROVTDUDFSYQL-NRFANRHFSA-N 428.681 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3c(F)cccc3F)C2)C1 1780809408 WRJAOSDDBMRHPL-NRFANRHFSA-N 438.475 0.710 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781733672 KHEGJXNMUWOKHZ-WIYYLYMNSA-N 437.924 0.566 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781998371 ZCPBBVYVWWLOKD-UYAYXHRUSA-N 447.374 0.991 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1782060474 AHOLKBLWJVUSMB-JOCHJYFZSA-N 427.505 0.683 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659412 PIJFCRQDPFMGJR-SUMWQHHRSA-N 427.299 0.104 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1783349202 JOVCWOYLGDPFKY-VBQJREDUSA-N 434.331 0.141 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784899894 IDHAUAORYIMZOI-AFIMGQEJSA-N 435.912 0.665 50 20 ICGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CCC1=O 1784983815 ZMFWZVDLJHECQO-WRZDFSGXSA-N 433.278 0.265 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnoc1C1CC1 1786291535 CCBUIUAXGGSZIF-SNRMKQJTSA-N 439.277 0.139 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786975453 XQUGCNMOLWEBQU-OBJOEFQTSA-N 436.900 0.276 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cccc1 1786986521 KVBUWXCVHMEOKR-LQJIQPLVSA-N 425.294 0.022 50 20 ICGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1Cl 1795903696 HNJNZNQYSOZQPQ-DPIQGUFMSA-N 440.932 0.202 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184636 RRCAYDQUXNTWQA-WISYIIOYSA-N 437.298 0.700 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc(O)n2c1CCCC2 1796188665 GHUCSNUXWSREAD-BJWYYQGGSA-N 438.293 0.170 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CCCCC1 1797202292 RQJSLTCCIGADDM-XOIINTDNSA-N 433.484 0.561 50 20 ICGD O=C1COc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cc2N1 1798109031 QQAZPNFKWBUMTK-BCDXTJNWSA-N 449.272 0.263 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cc(=O)nc2sccn12 1798414039 HQPLMUBYWXQALQ-BZBKMWRSSA-N 431.301 0.763 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(O)c1OC 1799662610 POEIBSOWEIOOTE-NDPMZMCLSA-N 428.869 0.212 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803401417 HEIMUBLPZLXXGW-QUCCMNQESA-N 437.305 0.696 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361141 VWDFKEGOGNEGMJ-MISYRCLQSA-N 439.321 0.488 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)O)[C@H]1c1cccnc1 1808417151 VDGBCDYZCZHXTO-BZFSXQLWSA-N 426.477 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810158387 RDKFAXFKTBUBDN-ZQIUZPCESA-N 435.916 0.674 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074101 PHOFPKWRMDKGIO-BXWFABGCSA-N 439.944 0.714 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816626463 NLIAPOZHVSKZTQ-RISCZKNCSA-N 449.899 0.909 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817479845 UMWFRGYDBDVOAM-SFHVURJKSA-N 436.281 0.372 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc2n(n1)CCCNC2=O 1818974469 QVWAJJJOXSAEEX-ZFWWWQNUSA-N 449.899 0.645 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cncnc1)CC2 1819795996 XDFRGLDYKBZJAO-NSHDSACASA-N 438.473 0.471 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)COC)n[nH]1 1822369153 GFDOUDMXDATQBL-DYEKYZERSA-N 449.961 0.983 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731568 MIDLUUNSYCCHKH-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)s1 1833144425 IJWLYCKELIDTTM-MAUKXSAKSA-N 431.942 0.359 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833865308 RLRSBNUEPWXPCO-LJQANCHMSA-N 440.573 0.350 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833900298 ARXZRMFUSLUGLY-LBPRGKRZSA-N 427.347 0.784 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834131315 ZXPNSIBPRUNPPY-CXAGYDPISA-N 446.273 0.851 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836887654 QULGPNCLBDVWBO-HRAATJIYSA-N 446.353 0.386 50 20 ICGD CC1=C(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCO1 1837920234 KSAKPOCCTYKJLE-UHFFFAOYSA-N 442.321 0.673 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921281 UNGIMAKCAKNVMR-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cn1 1839155178 MJTVQIMVJTWVPC-QZTJIDSGSA-N 433.336 0.655 50 20 ICGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198771 ATXINLPUSPIBIY-UKRRQHHQSA-N 436.303 0.833 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840032399 XTAVTTYPKJLDJP-KSSFIOAISA-N 443.342 0.593 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840037211 WQEYLKAXBWJREK-SCLBCKFNSA-N 442.310 0.448 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1840150001 CTDKVTGPVQYLAI-XLIONFOSSA-N 443.928 0.934 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cn3ccc(Cl)cc3n2)C1 1843810931 QZQYEGAKGUTQKZ-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1847044172 JCLAPRYHLMQMIV-QWHCGFSZSA-N 447.916 0.246 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847437042 MKPRERKQKROIPK-MWIANEHASA-N 437.924 0.621 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(Cl)c1OCC(N)=O 14290827 OBZAQNPZLNNHBW-HNNXBMFYSA-N 435.820 0.814 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc(OC)c1OC 15792587 HUMBOOOTHKCKLL-LAJNKCICSA-N 448.476 0.974 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 21875126 DRNFOWUCPNMPCT-OAHLLOKOSA-N 447.469 0.947 50 20 ICGD C[C@@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NC(=O)C1CCCCC1 728343328 MTXOJXULNKUWLM-KBXCAEBGSA-N 447.488 0.992 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1cccnc1 728852642 KNZKQSMPXWOVLT-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCc1cscn1 729276872 NCTGURCINDZDHL-SNVBAGLBSA-N 428.492 0.429 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CCc2ccccc2O)C1 730033509 AQMOQGAHZFJNQQ-INIZCTEOSA-N 449.533 0.913 50 20 ICGD CCC(CC)[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCOCC1 742036151 FYBYIEIVTYLFLD-MRXNPFEDSA-N 425.555 0.878 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc2ncccc12 742068416 FDJUOMIEKILDJJ-LBPRGKRZSA-N 430.490 0.713 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)/N=C1/NS(=O)(=O)c2ccccc21 742462943 IVONGZMWBZRODT-NSHDSACASA-N 431.430 0.873 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC1CCC1)c(=O)n2Cc1ccccc1 742516962 SFYROIOXOKOGEB-UHFFFAOYSA-N 438.488 0.766 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 743831444 XDBJMTPMLXVZJZ-HUUCEWRRSA-N 436.490 0.808 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2O1 751538771 OWGFPESTNJFTFM-ROUUACIJSA-N 448.453 0.703 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NN=c1cc[nH]cc1Cl 757418667 IDQFIVSFAPVSKN-HNNXBMFYSA-N 446.938 0.382 50 20 ICGD O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 763271771 LEMMHSMKLICYMP-UHFFFAOYSA-N 440.166 0.888 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 763625538 TXBYFOACRUINAS-UHFFFAOYSA-N 436.472 0.875 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 763656053 XPRMZJNFUFXFET-UHFFFAOYSA-N 434.474 0.900 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)S(N)(=O)=O 763939732 HDYBGTSCUQCFTN-JQWIXIFHSA-N 444.579 0.453 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2C1=O 763996445 ZFEKCMQWEFTQKH-UHFFFAOYSA-N 434.206 0.403 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1 764191888 HFKGNKYGHPAGQY-UHFFFAOYSA-N 434.474 0.587 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 764317783 NRMFFDIAMRPABK-ZDUSSCGKSA-N 446.382 0.945 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764366961 GCSLSJVDNDZIRW-UHFFFAOYSA-N 434.474 0.751 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cnccn2)c(I)c1 765697659 INMBHIYHUIIIPR-UHFFFAOYSA-N 441.185 0.490 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccc(Cl)cc2)n(C)c1=O 766643035 JHPZZKVKNQGJNX-UHFFFAOYSA-N 432.868 0.212 50 20 ICGD COCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 767849564 GPAYNXVNPHWWTI-UHFFFAOYSA-N 441.369 0.864 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186134 NDRXXQYQFKLRPW-SMDDNHRTSA-N 449.913 0.104 50 20 ICGD Cn1nc(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc2c1=O 772194747 DBFQTJHGFDRPIM-UHFFFAOYSA-N 427.848 0.593 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 773494595 VDNFOGDSNYNIGT-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD COc1ccnc(NNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 775531776 NNOVUICWIFMEIO-UHFFFAOYSA-N 426.430 0.794 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1 776346186 FZWVDLGBIVSXDK-DLBZAZTESA-N 438.550 0.264 50 20 ICGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 780170672 AZZNKSVWUXEIKP-UHFFFAOYSA-N 443.489 0.670 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005105 OQTXYZDKDHQOTH-UHFFFAOYSA-N 433.490 0.334 50 20 ICGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789584280 GFSZGNFMUQNEJQ-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 794423782 GOPHXCNABUZETH-UHFFFAOYSA-N 430.442 0.725 50 20 ICGD CC(=NNC(=O)c1ccc(O)c(O)c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 794556310 URFIZDCZCOJLSD-UHFFFAOYSA-N 441.487 0.977 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)nc2ccccc21 794768569 VZWKMNUSFUYVNN-UHFFFAOYSA-N 441.473 0.118 50 20 ICGD CN(CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 798118112 HJIPLJOOXCZDNF-UHFFFAOYSA-N 439.425 0.999 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)ccc21 799259383 VOMZBSHYSSOEPD-UHFFFAOYSA-N 440.441 0.893 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 806977873 CMLCZFAZVKITKN-IAGOWNOFSA-N 447.451 0.355 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc3ncccc23)cc1OC 810360337 LNVYXJNHJIZDHQ-UHFFFAOYSA-N 444.469 0.992 50 20 ICGD Cc1cnc(Br)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 812978972 HJKLWMOSOWDFIE-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD Cn1c2c(ccc1=O)C(=NNC(=O)C(=O)NN=C1CCCc3c1ccc(=O)n3C)CCC2 814692360 STEXBEOUQPVIKD-UHFFFAOYSA-N 436.472 0.097 50 20 ICGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 818787310 AWQZJDDRUUSTQW-LLVKDONJSA-N 426.451 0.762 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC2CCCC2)c1 914445386 XYINDCUMKOQTFR-ZDUSSCGKSA-N 429.520 0.103 50 20 ICGD C[C@H](CN1CCCCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916462015 NZAAMNAIJWOTQU-MRXNPFEDSA-N 439.586 0.518 50 20 ICGD CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916513416 ZJTWZLMMWMUECC-MZLJFPOFSA-N 435.458 0.548 50 20 ICGD CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916577615 QZOYFVKEMWLADY-UHFFFAOYSA-N 427.527 0.530 50 20 ICGD Cc1cccc(C(=O)NCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 918001712 GQJORBUWKBBLKS-UHFFFAOYSA-N 432.506 0.662 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)c2ccccc2)nc1 918229763 PTUPUDGRDMRCDA-UHFFFAOYSA-N 441.535 0.868 50 20 ICGD Cc1cc(=O)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nn1-c1ccccc1[N+](=O)[O-] 1327706746 PQLQOIYOQNJTKV-ZDUSSCGKSA-N 435.462 0.555 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@@H]2C1 1779266891 ZFRZFXDZUKJXHD-RRFSAMJTSA-N 449.596 0.214 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297161 UDSDOJLBNDYMES-APWZRJJASA-N 444.557 0.163 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCCO1)C2 1779371378 VGXLRSLFQFYKNB-JBYIUTFZSA-N 445.520 0.382 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779480105 ACRYUOQXXGWEOV-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccoc34)C2)C1 1782447261 RGUHMXCSDYFEPF-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730701 OUHOATMZUZHMDT-UTKZUKDTSA-N 436.940 0.467 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1783666664 PSMQONYFLRSLMK-HXUWFJFHSA-N 446.617 0.738 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(=O)c2ccccc2o1 1783822887 OTUDLXXJBGDQSW-HAHWVIBASA-N 434.876 0.986 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1783852856 PSVJIPIYWLNYRZ-IHRRRGAJSA-N 426.901 0.806 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1783932940 KZMFWYLNMSDNHP-QFIPXVFZSA-N 448.520 0.146 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1785070011 UMMKIWPWPJVZBV-NRFANRHFSA-N 446.671 0.916 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982009 XBLPYKKVRCGFOO-KNBMTAEXSA-N 442.252 0.118 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788137865 WELDNLFNRXRJLU-JYJNAYRXSA-N 427.574 0.660 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788727985 UXMCTXXQCCDMCI-YTFOTSKYSA-N 428.331 0.677 50 20 ICGD Cc1nc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789062631 OGQPCMKJTDBMKE-SNRMKQJTSA-N 441.268 0.116 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789868602 YMJWZMINHFDLDW-SMXCXOSKSA-N 440.324 0.267 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790145168 MFMMQRNBGALVIQ-UFYCRDLUSA-N 441.532 0.719 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1790961588 OEJZZYPMUOEGJF-RVMXOQNASA-N 425.345 0.184 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791344432 HVULXEZOHMOXDR-AICCOOGYSA-N 430.343 0.523 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795547408 DFCBLJVPQOXDKD-KGGRJMKFSA-N 432.525 0.083 50 20 ICGD Cc1ccc(C)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736922 QQKSYTIGUSDDHF-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2sccn2c1 1796112470 RBBVZAZFPAXOJT-HGKCTWBKSA-N 439.302 0.198 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796368936 SKIFRYYLELJSJL-ARSDKDGVSA-N 449.907 0.481 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCSCC1)C2 1796889836 UDGOZHLBMBHYKT-MOINTJSASA-N 446.577 0.807 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797885538 VSHWFLZJIWBHQR-XPCVCDNBSA-N 439.310 0.641 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnn(Cc2ccccc2)c1 1798150547 YADPRQPKXCUTCM-FCGDIQPGSA-N 432.908 0.734 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798414225 OXHZJDJYAWRLPI-NWJSVONSSA-N 440.909 0.213 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2n1 1799103875 DUBBLGIJFRTBMP-BTTYYORXSA-N 434.460 0.293 50 20 ICGD Cc1cccc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799651801 PGMCYSOIGKYLNY-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD CN(C)c1c(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1F 1799833814 WGVSWJFQBOFSSE-VZAMPYOESA-N 431.867 0.834 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297864 LOUJFQLOPJTNJB-CABLIKTCSA-N 439.915 0.746 50 20 ICGD O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2 1800778679 BNGWXWRLISPNAN-RCJHGTSTSA-N 449.301 0.670 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361761 CYWUOYKRLOORNO-QFBILLFUSA-N 449.276 0.273 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1 1807368360 SARONYYPRBDFJZ-AZUAARDMSA-N 432.289 0.775 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1 1807368367 SARONYYPRBDFJZ-QUCCMNQESA-N 432.289 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1810953249 IBQKUCADBVMNRZ-KDOFPFPSSA-N 429.481 0.203 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071989 WYUHONNKUHEDQF-IIBYNOLFSA-N 433.509 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1813074782 VMBWXQUANJUBFP-AUSIDOKSSA-N 444.580 0.946 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)C(Cl)Cl 1813082436 VNZLGHGEOXXEKE-BLLLJJGKSA-N 425.272 0.816 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057266 APWKVQYOGGEFIB-PKHCJMHPSA-N 448.394 0.758 50 20 ICGD O=C(COc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736057 QTJPHWYSOHZPNO-DNVCBOLYSA-N 430.860 0.261 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830760398 DQNKZCJKPCHPHE-CKEIUWERSA-N 436.322 0.618 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831699323 IAZNBYQIIHKHHN-DSUCVYQCSA-N 440.846 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnnc2O)CC1 1831873385 IPEBYTFMYCEPAX-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833308103 IMPBKMQAHKFSME-OAHLLOKOSA-N 425.917 0.270 50 20 ICGD CN(C)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833308185 KYYYJEDDONWUNW-IBGZPJMESA-N 437.972 0.933 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366631 PHZBGIMUYHFJSO-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1F 1839198039 QXRQAZJNSHMOFI-WFASDCNBSA-N 437.241 0.618 50 20 ICGD O=C(Cc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199844 WQQFVUZXSCGYAU-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051366 XJPZONNSCXOMRW-ZURLZEQWSA-N 431.327 0.794 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3)C2)C1 1840183764 YUCMBSOWUVXAKB-LBQODKDLSA-N 444.532 0.529 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840498100 QFZNTCRXCIVGSN-DOTOQJQBSA-N 446.273 0.477 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1840648634 VWUPJHMZSWKEFN-SFHVURJKSA-N 430.288 0.659 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc(Cl)n1 1843014137 BKGCNMGIWFHUAT-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c21 1843014250 PVHXOMHTOAUYSH-UHFFFAOYSA-N 434.261 0.090 50 20 ICGD Cc1nc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(C)s1 1844263703 KOWWXYKHBMZVEO-UHFFFAOYSA-N 428.518 0.818 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1 16500777 DWOYIZKLHIVDII-UHFFFAOYSA-N 442.523 0.908 50 20 ICGD CCn1nc(C(=O)NNC(=O)C2CCN(S(=O)(=O)CC)CC2)c2ccccc2c1=O 17190453 GDWSWPWYFOANEB-UHFFFAOYSA-N 435.506 0.239 50 20 ICGD O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NNC(=O)c1ccccc1 22886231 WDYQBYXWPBDPCW-UHFFFAOYSA-N 436.515 0.656 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 108789961 GKWDROOFHCOTHR-AWEZNQCLSA-N 445.567 0.335 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)cc1 725960435 UBJMSXFJGVJGON-QZTJIDSGSA-N 443.431 0.714 50 20 ICGD O=C(COC(=O)Cc1ccc(-n2cccn2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728328453 KJKATPAWRYJHID-LJQANCHMSA-N 436.424 0.945 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 728846291 XKWSUMGETPBTHQ-UHFFFAOYSA-N 428.405 0.834 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728855895 DUMOHBCLSDRLFQ-UHFFFAOYSA-N 433.490 0.879 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)c2nnc3n2CCC3)c1 730935763 WERCQUFUBQECQG-ZDUSSCGKSA-N 449.537 0.960 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccccc3F)CC2)cc1 731328730 DKMCILSTZTWNKU-UHFFFAOYSA-N 448.520 0.831 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1OC 739670979 ODWAKXVWBVPBGR-UHFFFAOYSA-N 442.471 0.509 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 740849569 FSBZYBOVXXCVBP-UHFFFAOYSA-N 442.538 0.792 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 744399510 QCDJHPSFDBLAND-OAQYLSRUSA-N 446.511 0.742 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745445087 VHUWLSOUZHRCNO-CEMKBHKYSA-N 449.847 0.195 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)C1=O 747787159 HRIQARXMRVJMAE-LJQANCHMSA-N 435.484 0.655 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)CNC(=O)c2cccs2)CC1 750944083 RDQGWLSXYCOMIR-UHFFFAOYSA-N 438.535 0.775 50 20 ICGD C[C@@]1(c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 754519374 FKRNGHJZYQBRRV-NRFANRHFSA-N 435.396 0.231 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 755667836 PLPWJAYGWKILPJ-HZSPNIEDSA-N 439.538 0.895 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(F)c(C(F)(F)F)c2)n(C)c1=O 755790404 NITADOKMWNMSEK-UHFFFAOYSA-N 426.330 0.742 50 20 ICGD Cc1nc(CC(C)C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 757686142 CGYGDNDBNAJXTK-UHFFFAOYSA-N 448.509 0.250 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757802691 AOIXIHIDIOHGBU-GXTWGEPZSA-N 446.551 0.492 50 20 ICGD CC1(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)OCCO1 760164547 RSMNUXHPXUGLDR-UHFFFAOYSA-N 426.495 0.568 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 762860678 GPNVOTQKWWJVLH-UHFFFAOYSA-N 448.505 0.091 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763570807 IBVBJFZQNUDTGR-MRXNPFEDSA-N 437.416 0.286 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763863834 CYXIAZWQADUBKH-CYBMUJFWSA-N 431.424 0.611 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 763999326 VNBYSRPHNDGNTE-QMMMGPOBSA-N 441.359 0.287 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)ccc1Cl 764024402 FTAWHLUHENWCQJ-UHFFFAOYSA-N 444.922 0.980 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764141920 HYCDSECFYJRFIU-UHFFFAOYSA-N 427.461 0.386 50 20 ICGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764296669 FURDYEZJMYGZTC-UHFFFAOYSA-N 442.201 0.427 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c(I)c1 765699524 UQQLGUKAGCGXQE-UHFFFAOYSA-N 443.201 0.731 50 20 ICGD Cc1cc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 765727021 IMOGWFJZNJFCOW-NSHDSACASA-N 448.867 0.010 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCn3ccnc3)CC2)cc1 766636384 OEHDNCODNMUYNE-UHFFFAOYSA-N 448.549 0.126 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCc3n[nH]cc3C2)c1 767107675 MHUPEJMVILUQEF-HNNXBMFYSA-N 434.522 0.942 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 770368876 DXSGTAKHDCSBSE-UHFFFAOYSA-N 427.469 0.187 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772351495 GVXKTXZRHLDARU-UHFFFAOYSA-N 441.488 0.797 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 777276735 ZRDHIKVVYBPAQP-WOJBJXKFSA-N 449.552 0.350 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1C 778420888 BXLNHWFOFUOTNO-NSHDSACASA-N 446.489 0.922 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1-n1cnnn1 781716405 XCSXCSMDJAMBRD-UHFFFAOYSA-N 429.824 0.402 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Br)ccc1Br 782965908 JVHCUJSYLYPUHB-UHFFFAOYSA-N 448.071 0.576 50 20 ICGD O=C(NNc1nccnc1Cl)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784776083 AWUYLJQHENCBGO-CQSZACIVSA-N 446.851 0.226 50 20 ICGD O=C(CCOc1cccc(I)c1)NNC(=O)C(=O)N1CCCC1 784959484 NZJIBQJIIAPTQK-UHFFFAOYSA-N 431.230 0.830 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)n1 785100233 UENUKHJAWKKDLS-UHFFFAOYSA-N 435.435 0.697 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 790386558 YUZQOXMIOPJVSA-QMMMGPOBSA-N 429.289 0.641 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 794782300 WYGAAKBBDTXOFN-SECBINFHSA-N 434.902 0.909 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 794826118 KFWKXQGTUMLQDZ-UHFFFAOYSA-N 428.511 0.600 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(S(C)(=O)=O)cc1 797410785 XDGSPKVWQSZSJM-OAQYLSRUSA-N 446.529 0.969 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 806969073 WPQOEWAPDVHJNT-UONOGXRCSA-N 425.445 0.569 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976472 QOZBXVXLDJQNLV-MNOVXSKESA-N 428.367 0.122 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 807116983 RNFFSVICPMQZQL-UHFFFAOYSA-N 428.405 0.860 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 807371947 VLPLIGJFMWLULE-IHRRRGAJSA-N 429.539 0.830 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCSC1 809933706 RDIQIPNLIXCVLA-MRXNPFEDSA-N 441.575 0.931 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 810391281 ASXQBIHFXRNMQD-UHFFFAOYSA-N 442.329 0.395 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 815657254 UATDPAYAVSGRLQ-UHFFFAOYSA-N 435.462 0.737 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1C(=O)CCNC1=S 816828996 XHUAEHBSWTZHJW-SNVBAGLBSA-N 443.323 0.861 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccs1 831123618 YZGPHDPIEOWXTI-UHFFFAOYSA-N 431.879 0.684 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)cc1 832008494 HJRUVYFIILBIGT-QXMHVHEDSA-N 431.470 0.890 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 864233520 ILIYCTOIOPUGSK-SNVBAGLBSA-N 435.105 0.063 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(C#N)n1C 873772545 IKPMPAGJQCATAT-PXNMLYILSA-N 440.485 0.824 50 20 ICGD CC(C)CN1CCO[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 915922946 PNZGIYLJYDUPMI-INIZCTEOSA-N 441.554 0.238 50 20 ICGD Cc1nn(C)c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] 918759270 QQLMBZYKDLMKFZ-UHFFFAOYSA-N 436.450 0.496 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1O 919756934 OEBZXPOWQUKTRP-OAQYLSRUSA-N 426.429 0.937 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1339818913 PYNWLPOHVTZHFX-HNNXBMFYSA-N 441.412 0.961 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc[nH]1)C2 1778091044 DMFKNELRTYWNCZ-PMPSQQHASA-N 441.492 0.671 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780363763 ANGZCIXXGPZKIX-CABZTGNLSA-N 444.183 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783753416 WKEUTBZHJBWGID-QFIPXVFZSA-N 442.520 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783934641 JFAAUPJZMDRPPK-GZNAHNRGSA-N 448.545 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nccnc3c1)CCO2 1783934949 NSYDAXVQBRISPN-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1OCC3)CCO2 1783934981 NYZTXTSYIJPGKV-JOCHJYFZSA-N 430.505 0.438 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790583486 FJYUFLMYBSADGQ-NUXNZHGMSA-N 431.320 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@@H]21 1791291485 WMGSSCVKAJFMHK-WBAXXEDZSA-N 442.520 0.529 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 1792563557 BCWHRZLXUQFXSO-UNJQHOFTSA-N 431.493 0.279 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccncc1 1793950012 GOQGEHHKUYLLAT-YVWYUNDQSA-N 435.550 0.136 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958150 PJUNDBMWARSYMA-RNJOBUHISA-N 437.298 0.501 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ccccc2o1 1799906842 JKXLICQHUINUOS-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802209652 ARYUYDUVVCKRRO-CXCSCZSYSA-N 449.458 0.634 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802976281 GICBKMJEIUPAOR-LVQVYYBASA-N 438.488 0.799 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803565664 YDXVWJNWRJQEBQ-OZOXKJRCSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncs2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369195 CDXFJPVHGFFNJN-VQIMIIECSA-N 436.302 0.851 50 20 ICGD O=C(CCBr)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809067038 PEDMNZYOSLYWQF-UHFFFAOYSA-N 437.143 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811545320 RTYSTBZQYKAAGD-LAUBAEHRSA-N 437.504 0.974 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2(F)CC2)[C@H]1c1cccnc1 1812458225 DIXDVPRRAWSUPR-RHSMWYFYSA-N 426.452 0.902 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCOCC1)CC2)c1ccc(B(O)O)cc1 1815339425 FKTRYKXPFIUHHK-HNNXBMFYSA-N 429.307 0.475 50 20 ICGD Cn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339897 SPYCPZURMKCPPN-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)c1ccco1)CC2)c1cccc(B(O)O)c1 1815347963 ZWHUNCVNACKWBW-DYVFJYSZSA-N 441.274 0.375 50 20 ICGD CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817275948 IJEDHBOYJMZOBZ-IVWJEFBKSA-N 445.505 0.325 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401479 DFDSFHBFYWKNKX-ABAIWWIYSA-N 442.480 0.226 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825717835 ATDGKRQKJNOXOB-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057528 HSJTZRKNMJRWKJ-OXQOHEQNSA-N 441.337 0.290 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3)sc2C1)c1cccc(B(O)O)c1 1827285020 UUCXDGJEFHQDGP-HIFRSBDPSA-N 431.348 0.944 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1829808653 YEOBXZMMCPBLLW-QOKNQOGYSA-N 428.892 0.982 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732389 XAYBDINDQFROBF-FZKQIMNGSA-N 442.925 0.374 50 20 ICGD COc1cc(C)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733838 VHOKVGXFYYEDRP-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306455 RWIBHDOHXXWBFK-QGZVFWFLSA-N 430.977 0.320 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1)[C@H](O)CCl 1833309856 BNRLXNLWOJZACO-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c[nH]1 1833376339 PVBCJGDMVLIUDR-QRWLVFNGSA-N 427.929 0.982 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1C 1833694866 DHPAFGMISJMWQV-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834726617 VPCXQWWFYIJWKK-HKUYNNGSSA-N 437.972 0.907 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826814 XAVKIDGIXCVGNG-SFHVURJKSA-N 443.342 0.905 50 20 ICGD N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1835836741 UYKBYXOQSDOHFO-RDTXWAMCSA-N 431.320 0.732 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCO2 1836484247 QQSIOOGCPZNBSD-AHIWAGSCSA-N 449.346 0.063 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203304 HTPUQEUINRAWSC-IFIJOSMWSA-N 447.305 0.899 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839412298 PIOCWYGGZGSQFG-BLVKFPJESA-N 448.850 0.994 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839964487 SRQDTYPFUBIBOP-GUYCJALGSA-N 427.299 0.720 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1840036134 GKVCBGRMHVLGAS-RLFYNMQTSA-N 443.342 0.759 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840149914 BCFQYFHYFYOSBR-TUKIKUTGSA-N 432.823 0.010 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840152353 GFRREJMAPYBRRZ-VLIAUNLRSA-N 436.896 0.887 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353784 PJTADRLUQQTBLT-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD Nc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)sc2nccnc12 1842991910 XKHZHJIJUIWIGD-UHFFFAOYSA-N 437.290 0.084 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844263260 KSSLHOXGXIORPM-UONOGXRCSA-N 429.477 0.091 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844359676 JFAIGSIIVFYTJU-YJMCUSNWSA-N 430.509 0.629 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1 1845384021 BFWSRASTSZTQDK-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 1846385796 XEWOTCLFVFEYND-UHFFFAOYSA-N 446.508 0.851 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 725740611 HMJKPODLAVULEE-UKRRQHHQSA-N 434.449 0.139 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(OCC(=O)NC2CC2)cc1 725872412 OKFFMCUAVNTDTK-ZDUSSCGKSA-N 443.460 0.758 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C(=O)O 728854492 WUPDXGWJKRKVIA-UHFFFAOYSA-N 435.462 0.410 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1OC 728890183 ZHAKLSIXNAQAOH-UHFFFAOYSA-N 448.505 0.071 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1 735471169 SBTVYPFYWYJVBH-ZDUSSCGKSA-N 429.499 0.420 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 735836004 AAPLIYBKGMOSDI-NRFANRHFSA-N 445.545 0.686 50 20 ICGD CCC(CC)[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCOCC1 742036150 FYBYIEIVTYLFLD-INIZCTEOSA-N 425.555 0.878 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)c2ccc(C#N)cc2)c(=O)c2ccc(C(F)(F)F)nc21 742451591 YBOWIDRPQHLYNH-UHFFFAOYSA-N 446.345 0.447 50 20 ICGD C[C@H](CC(=O)NNC(=O)CNC(=O)c1cccs1)/N=C1/NS(=O)(=O)c2ccccc21 742611866 FENUJUFASSGPPE-LLVKDONJSA-N 449.514 0.143 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 744525741 CIYHASKHJSMIDD-UHFFFAOYSA-N 442.453 0.716 50 20 ICGD COc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)n1 746622688 DGBMUWFYYMUKIN-UHFFFAOYSA-N 448.505 0.403 50 20 ICGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 749152551 TWOXDUVZUNHMQP-UHFFFAOYSA-N 440.503 0.780 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)ccc1OC 751988705 SAKQRUDTVHHEBB-UHFFFAOYSA-N 437.474 0.816 50 20 ICGD O=C(NCCn1c(O)nc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 751999714 NBDRANVNKOZAGU-UHFFFAOYSA-N 431.478 0.679 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 755365524 AXGNEYVHJSBBLM-UHFFFAOYSA-N 447.521 0.796 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCc1ccccc1 756796906 JJUNQQXQRSQUPV-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1 758841327 XZHCFUROLBZUMY-OAHLLOKOSA-N 445.501 0.577 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 762089177 MRSVGCINUWXANA-KRWDZBQOSA-N 429.525 0.815 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCC3)c1 763719147 VSSXMJMLTSHQLQ-UHFFFAOYSA-N 430.486 0.825 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)N2CCc3cccc(C)c32)cc1 763738380 TZMABAPVFOYJMA-UHFFFAOYSA-N 444.513 0.661 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764048687 SCFRJZHZXMPDTP-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)c2ccccc2O1 764359873 QJNRZPZGOYVVPX-KRWDZBQOSA-N 442.476 0.280 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)ccc1-n1cnnn1 764370575 SMUPDAFBEMRORV-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD CCNC(=O)NC1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCCC1 766642239 KYTRJESCMNHOAZ-UHFFFAOYSA-N 444.536 0.224 50 20 ICGD CS(=O)(=O)c1csc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 767191476 FOVBTRNBQTVPNJ-UHFFFAOYSA-N 437.908 0.527 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1=O 768636001 NQTKHYNKIOMZHM-CABCVRRESA-N 438.550 0.875 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]1OC 776533218 ZVYHUNGRAWUHKV-GVDBMIGSSA-N 440.522 0.608 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 778436622 MZQPTJNPFKOZMN-HXUWFJFHSA-N 431.449 0.052 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccn2Cc2ccccc2C#N)n(C)c1=O 780237591 WSUNNMCVOMZWGP-UHFFFAOYSA-N 444.455 0.305 50 20 ICGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@H](C(=O)OC)C1 780350906 NZIJPRZLWCSNMG-FZMZJTMJSA-N 441.868 0.536 50 20 ICGD Cc1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)o1 784005097 OKKHEMPWLBFNPN-UHFFFAOYSA-N 428.430 0.622 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n[nH]2)C1 786739915 KNGZZZBSGVVZDQ-NEPJUHHUSA-N 441.510 0.330 50 20 ICGD O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 786742242 WOHPIHQZIJUICL-GFCCVEGCSA-N 443.551 0.887 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccccc2S(N)(=O)=O)c1 788230173 HZTIICVSJNTRHF-UHFFFAOYSA-N 442.519 0.324 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 792799011 WKMKFLCAWKLFMX-HXUWFJFHSA-N 432.477 0.445 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c(C)c1 797002776 UKPYAHGHDSBWLO-UHFFFAOYSA-N 428.445 0.457 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 807546511 VVOPQKLBAZKPML-LBPRGKRZSA-N 436.918 0.309 50 20 ICGD CN(C)c1c(C=NNC(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c(=O)n1C 807947585 BAIZCFVRVYJRQK-UHFFFAOYSA-N 427.383 0.698 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 810386806 SFVHMGJFMLEULS-UHFFFAOYSA-N 433.428 0.866 50 20 ICGD CC(=NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814757877 UZOMBIUWXZKVNU-UHFFFAOYSA-N 441.469 0.991 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(Cl)ccc1I 815569183 JXMWGVKRQAJQFW-UHFFFAOYSA-N 447.620 0.996 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc21 815751416 ZAXKJSFGQPRSHB-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 815752570 XLTSSEIMWYABOY-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD O=C(CCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 912851690 ASBRIYDQASQFSB-UHFFFAOYSA-N 446.529 0.648 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)cc1 915022225 UYEICQCFSFMIHQ-GFCCVEGCSA-N 425.488 0.728 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1O 916641822 JXJMCMICKDYHBK-UHFFFAOYSA-N 436.490 0.860 50 20 ICGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)c2ccc(OCC)c(OC)c2)n[nH]c1C 917727401 IZWWUWUUBYUCBH-UHFFFAOYSA-N 426.451 0.925 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 917925852 NPMXMAVIQOQRRP-UHFFFAOYSA-N 445.436 0.341 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 918091331 ROKWSJCUWPUBIV-UHFFFAOYSA-N 448.501 0.749 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 1319987250 YWVSMRBISCFTHW-ZDUSSCGKSA-N 431.449 0.283 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cncn2-c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 1334867236 IWIFYQSTSJMKCD-UHFFFAOYSA-N 433.428 0.201 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034014 ILIAVEISXZBIEM-PGRDOPGGSA-N 444.536 0.001 50 20 ICGD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780033735 MCXVUCLLOVPQAQ-IIBYNOLFSA-N 445.907 0.614 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2)[C@@H](F)Br 1780774044 UTXXNBZVUVJGRQ-XJKCOSOUSA-N 434.262 0.985 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2)NC(=O)NCc1ccccc1 1780968929 RASMBOAIVKQOQG-OAQYLSRUSA-N 447.511 0.665 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C\C(=O)NC1CC1)C2 1782175334 HBSRBABMACXCKK-WUZLCWIESA-N 427.929 0.589 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCCN1C)C2 1782210492 WRVYMQDSGXPCCN-JBYIUTFZSA-N 437.585 0.358 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(F)n1)C2 1782214083 BSCBJPAEYPXJJU-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1783933648 BVWJTBONYURUDG-NRFANRHFSA-N 428.493 0.379 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784084006 JWLXNRXUQXGKRB-JFMONLCZSA-N 426.897 0.308 50 20 ICGD O=C(CCc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784737837 PPZLVGVXIODWMW-QHCPKHFHSA-N 440.280 0.582 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nc1 1787760940 CRAWFHUKIKGVAU-ZVZYQTTQSA-N 433.509 0.057 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1788762698 NMNJEMHWDUTUJI-JYJNAYRXSA-N 427.574 0.660 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791256661 SZPHPXAKLHOAEF-RVMXOQNASA-N 449.982 0.080 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1 1792233511 RVHQPKCSMNHPOG-PWZKMPOXSA-N 436.317 0.763 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1792884696 VXHIVBHGXHIIOB-LXTVHRRPSA-N 447.960 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2)[C@@H](O)CCl 1792980096 DAXPTBBFHRVUER-MVJTYMMSSA-N 426.897 0.251 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1795111394 HWFJFRLRDLCPDE-QHBPRCKVSA-N 431.262 0.771 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccnc1Cl)C2)c1cccc(B(O)O)c1 1795737229 HPRRVJSRLHJNJQ-FVCICTRLSA-N 447.659 0.071 50 20 ICGD COc1ccc([C@@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796185695 HRIBURHVCADCTD-RCLSDMTESA-N 438.289 0.360 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)(C)C)n[nH]1 1798134355 AEPUXLROMAMJAY-HBCWATKFSA-N 434.541 0.283 50 20 ICGD COCc1oncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440399 MLOUAEQLBCNVHZ-CLLJXQQHSA-N 428.449 0.385 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1799279231 CTQFBAZKBQJIIH-XBCDXLOZSA-N 431.320 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2 1800970767 IXKIWOWIJZZLRL-AHDPXTMNSA-N 433.933 0.743 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802985558 GMWHLTXVTAAUKH-JONQDZQNSA-N 425.493 0.470 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)no1 1803143246 XRSCHILPGGGYFE-QGPMSJSTSA-N 449.895 0.414 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804475955 VUMKDCYEJHJPKF-CLLJXQQHSA-N 433.421 0.440 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccn(C)n2)[C@@H]1c1cccnc1 1805735119 ZTLHPDXYVFXISG-UZLBHIALSA-N 427.509 0.508 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1)C(=O)O 1807207497 ZEYWVIMWHCNOPQ-MXYBEHONSA-N 445.289 0.841 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371700 YJSRFFJJJJIGHO-XXBNENTESA-N 444.300 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@H](N)c3ccccn3)C2)CC1 1809796909 RNZTWWBWINIWKT-HXUWFJFHSA-N 430.553 0.686 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971521 YNDZKKHOYYDSMO-LJQANCHMSA-N 428.338 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1813071690 UCEVBIAYUBNWQG-KKSFZXQISA-N 441.488 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@]2(C)CCCN2)[C@H]1c1cccnc1 1813074370 YCXLOJAUIXRVDQ-RBDMOPTHSA-N 430.553 0.603 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)CC1 1814870361 QFVOEALRERQGEZ-HOTGVXAUSA-N 426.949 0.639 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)[C@@H]1SC(=N)NC1=O 1814871002 HNXHNFIKNJTEJZ-UKKREREHSA-N 442.929 0.804 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470451 RIOSJHLAKQYWIB-MOPGFXCFSA-N 439.325 0.880 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410385 IRSJFFXLGZRMJW-CQSZACIVSA-N 442.542 0.210 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1822439164 BGERJEHXXPVMHN-LSDHHAIUSA-N 440.570 0.889 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cnn1C 1826104923 PPTDYJAUVHRDSD-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CC[C@@H](NC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926998 WYQPJVHREKKEIS-RTBURBONSA-N 430.553 0.916 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830538385 DYFYMXRFIUSCFS-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD COc1cc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830733741 SIKKUCKEWZNGSD-BEFAXECRSA-N 448.850 0.643 50 20 ICGD C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)Oc1ccccc1 1830736012 PNUHFUIHVVTSCW-BLIXFSHQSA-N 440.924 0.900 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1831650207 FPONVVDUYXPMAJ-DOXZYTNZSA-N 432.949 0.558 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870972 JNRJFDBTUHJSPP-LPHOPBHVSA-N 437.585 0.846 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832808011 FOSAEHOLHAMDAM-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)[C@H](O)CCl 1833312438 NFWCJZCYAQPMQV-LJQANCHMSA-N 439.984 0.856 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834022451 VGXDXPABBPVWTI-GUYCJALGSA-N 427.299 0.578 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716959 ALIBHYZAHPQPLO-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199199 KFKVAPQDAJSYBC-CJNGLKHVSA-N 448.245 0.253 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839684917 YJDQEJOMDRAYNH-DNVCBOLYSA-N 446.573 0.856 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839962405 DBWZFHJITDHGNB-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840036485 LAPCLELXBDTBGL-CXAGYDPISA-N 429.315 0.582 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1840154785 GMJUECXZQXBDBL-QFBILLFUSA-N 428.917 0.279 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840584669 GRQMZUVWPKCJKM-ABSDTBQOSA-N 431.961 0.569 50 20 ICGD Cn1cnc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1C(F)(F)F 1843519249 BWSJREOQDQCPLC-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NNC(=O)[C@@H]1COc2ccccc2O1 9074134 PHIXIPNRSZPCIY-HNNXBMFYSA-N 443.437 0.875 50 20 ICGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 726611441 STICHCDFYYOQPR-LBPRGKRZSA-N 426.499 0.463 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)n1 728723184 MSHYCXCHJHAITK-LNKIKWGQSA-N 426.458 0.810 50 20 ICGD CCOC(=O)N(C)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728962112 ZCSCDMDPOOXAHM-UHFFFAOYSA-N 433.513 0.987 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 728971680 HXSNBDSBSBCMLC-UHFFFAOYSA-N 435.430 0.852 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)cc1 729540962 SVYCTVBVEKBCOC-UHFFFAOYSA-N 428.470 0.970 50 20 ICGD COc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1S(=O)(=O)NC1CC1 730782232 JQOYDJJVZIWFJK-UHFFFAOYSA-N 435.458 0.682 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Br 732033555 RNMOPICGEPAFRC-UHFFFAOYSA-N 434.312 0.890 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc1 733163310 JDCGBNMGOQBYMZ-DSQDWWTGSA-N 438.488 0.934 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1C(N)=O 734807400 NRQWZQGNTFEXEI-UHFFFAOYSA-N 444.514 0.016 50 20 ICGD CCn1c(NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)nc2ccccc2c1=O 737786545 DTBHAWCUVPAWDY-UHFFFAOYSA-N 435.444 0.427 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 740812384 GWSSIMWUJYFUJY-UHFFFAOYSA-N 438.428 0.593 50 20 ICGD CCn1c(NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nc2ccccc2c1=O 742041713 DBEFCHZDSQTTCV-LBPRGKRZSA-N 447.521 0.577 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccs2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 745560661 GLQWBOJELJOJPT-MRXNPFEDSA-N 443.441 0.532 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)Nc1ccc(OC(F)F)cc1 746325554 FVURQDGZDCNOJW-UHFFFAOYSA-N 444.420 0.997 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)Cc3cn4ccccc4n3)cc(-c3ccco3)nc12 746641606 PYEMEHAKJWGGKN-UHFFFAOYSA-N 444.411 0.740 50 20 ICGD COCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 751294261 OQUJLGYLTOEINH-UHFFFAOYSA-N 442.881 0.873 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(N(C)C)n3)nc2)CC1 755095216 BFCDDSTWDRCTME-UHFFFAOYSA-N 448.553 0.305 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c[nH]nc2-c2cccc(Cl)c2)c(=O)n(C)c1=O 755618749 BCWQWCABYVAKQU-UHFFFAOYSA-N 433.881 0.765 50 20 ICGD C[C@@H]1CN(Cc2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H](C)O1 755961884 UGGYWTSKDGWIAJ-MGPQQGTHSA-N 427.527 0.386 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc2ccccn2n1 760030907 OAHJTVSFPQKCAO-UHFFFAOYSA-N 429.462 0.980 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 761634154 WGQAUXATBHFGIZ-UHFFFAOYSA-N 435.483 0.779 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1ccccc1Br 763483645 VEZDCRHOHCEHJY-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)c1ccccc1O 763528815 FRTHQNWDEIBQMG-UHFFFAOYSA-N 447.400 0.604 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)cc1 763660130 YLLWFRAHAYFIFU-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 763718172 IIEUKMAIBHBPCF-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 763822154 WOGIIBMFDLMJJW-UHFFFAOYSA-N 434.474 0.209 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 763873000 QTNZUUPGRUZMIN-LBPRGKRZSA-N 432.408 0.633 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 764177111 JMRAPDXFQKAFQB-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 764325355 KWYGTKBJSHAOEH-ZDUSSCGKSA-N 426.495 0.230 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3c(s2)CCCCC3)n(C)c1=O 765314049 ZZMDJRJLSVXLGE-UHFFFAOYSA-N 446.493 0.012 50 20 ICGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 766754204 DWYNOKIUGINVFT-UHFFFAOYSA-N 436.450 0.578 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cncc(Cl)c1 768285987 RMLDQXUWHAXAML-UHFFFAOYSA-N 437.909 0.503 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 768637472 BFJJCDXFKVPNHP-AWEZNQCLSA-N 449.464 0.801 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 769644745 WRMCUABBDVFPML-WFASDCNBSA-N 437.449 0.820 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)cn1 770224422 ZUERKHFKLSGVAI-UHFFFAOYSA-N 431.243 0.966 50 20 ICGD CSCCNC(=S)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 770248292 UZTMNESPXICNLM-UHFFFAOYSA-N 431.337 0.903 50 20 ICGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 773489774 AGIWIEYIOFNGSW-UHFFFAOYSA-N 436.424 0.858 50 20 ICGD CCCNC(=O)NNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 778563270 MYYUGHCGLJCQEC-UHFFFAOYSA-N 441.247 0.980 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 784915910 IXDZDNUNQRHDBD-OAHLLOKOSA-N 433.465 0.485 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 785651279 HGTCKIAPRPLJLC-MSOLQXFVSA-N 441.488 0.195 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787540746 FAHDJDRVQFDSCN-UHFFFAOYSA-N 444.492 0.713 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cccc1N1CCNC1=O 787541916 YBFXXHCRBBQDDL-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD COC(=O)[C@@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 788407732 XTABBRJIUPZWEV-INIZCTEOSA-N 439.515 0.918 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 803470485 YLILKHZCIZYTLW-JOCHJYFZSA-N 436.424 0.269 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806977996 HXVZMJAHCYTGGB-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1nc2c(s1)CSCC2 807070784 QKKDQXPVGCCGAV-UHFFFAOYSA-N 449.514 0.945 50 20 ICGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2 810593805 JKKMTEYPHCQZAB-MRXNPFEDSA-N 445.955 0.539 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(C(=O)O)(c2cccc(Br)c2)C1 814835580 WBZUTOIPVCFRJK-HJULIUOESA-N 432.296 0.975 50 20 ICGD CC(=NNC(=O)NCCNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814851195 IPAIIYRJZPKFHJ-UHFFFAOYSA-N 441.510 0.494 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n(-c2ccc(Cl)cc2)n1 815693189 OIYYDYHDVJNGMU-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 913429604 MCLHCBXAUVPSTH-UHFFFAOYSA-N 431.405 0.601 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nccc(OC)n2)c1 914861263 FEPYKRAFPLFAKO-UHFFFAOYSA-N 436.494 0.389 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(C)(C)N2CCOCC2)cc1 915894274 JVGSWMPLNMHQSR-UHFFFAOYSA-N 441.554 0.057 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)c1 919958528 QBMLIRBBPJEYOZ-UHFFFAOYSA-N 438.414 0.597 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1334170421 KASFCGCTANKJGD-UHFFFAOYSA-N 443.548 0.121 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1779030174 HQJDRWYCJJZIDZ-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1779037120 OTTNCWYQFUGFKF-NEVJAFOQSA-N 429.502 0.004 50 20 ICGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n[nH]1 1779465167 ZBMDDUNLCARRED-DYESRHJHSA-N 434.541 0.148 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1)C(=O)O 1780771228 HKMUYEUFHPWILE-QQHRNGFRSA-N 438.294 0.254 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(OC)cn1)C2 1782170999 MQWXUGRJUVVSBN-ZBQZNYHESA-N 426.901 0.867 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1782863971 DPDMBZFTUOTXCO-GSWGVQEBSA-N 442.426 0.993 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1782866885 FHGBZHOGIPCLNF-YFOLIPHBSA-N 446.454 0.424 50 20 ICGD C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(F)(F)F 1783207455 KUFXSLVQFHXAON-QGZVFWFLSA-N 427.383 0.247 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1785597544 FPSBRBMMVXKDPE-XIRDDKMYSA-N 444.318 0.344 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]c4nccc3-4)C[C@@H]21)c1ccc(B(O)O)cc1 1786980002 YDOSZOWDZFSFBM-YSSFQJQWSA-N 448.288 0.101 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428266 ROKYWHKIDSJALQ-UKJIMTQDSA-N 443.298 0.512 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nc4ncccn34)[C@H]2C1 1787982853 SJVDKZIJAYYJBF-VGWMRTNUSA-N 435.912 0.885 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1789864896 JWRANMRNBVHMGE-FUJDEKNSSA-N 439.944 0.454 50 20 ICGD N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1792832358 DLNPNKRQNPKMCY-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD CN(CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(=O)OC(C)(C)C 1792984126 YXLLORFQYHUNHO-IVSAIRAKSA-N 447.960 0.823 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nccc2occc12 1795973026 HDNTXEMNYXGPRH-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2c(n1)OCCO2 1796189264 RMAOVWZBJLDNLD-BJWYYQGGSA-N 437.261 0.098 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Br)C4)CC2)CC1 1799192041 OBICILZEFDHISU-XGUBFFRZSA-N 447.349 0.047 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1799275001 GJTFDAPVKJRIBK-JJHQXXDFSA-N 427.292 0.564 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)CCOC1 1799332697 AYOHYQDROMERLX-QEAYJNAZSA-N 449.907 0.794 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799917429 ZDGOGUFJLWOMDX-KARBZBNUSA-N 444.960 0.480 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1800642478 KFFJXZZRXKHACW-NWJSVONSSA-N 429.315 0.805 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)no1 1800759600 XOKTXJPIOSOAEL-OHTBPHCPSA-N 443.298 0.086 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805719364 ZZYGQYQQJDELIN-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807260126 LOAJDWQRLLMGQG-SFHVURJKSA-N 438.337 0.744 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374232 FXUUYJNSBDKSRG-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808434324 YYRIHNRPCMXBLT-FPDPHYFHSA-N 446.552 0.327 50 20 ICGD CC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299608 SVPOWYJFKWJJQY-OXJNMPFZSA-N 438.488 0.769 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813071700 WFTPFVKNXPTULU-IERDGZPVSA-N 443.508 0.395 50 20 ICGD CC(C)(C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814818345 USEFEESGICVOAO-FUHWJXTLSA-N 428.298 0.802 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)c1ccco1)CC2)c1cccc(B(O)O)c1 1815347964 ZWHUNCVNACKWBW-GUYCJALGSA-N 441.274 0.375 50 20 ICGD Cc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360294 FAMDWDGCFSACCX-CQSZACIVSA-N 437.290 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(O)nc2O)n[nH]1 1818022104 GRLZNVWKHATEHC-CYBMUJFWSA-N 446.468 0.290 50 20 ICGD CC(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819790741 JFUOEQHDIDQADF-LLVKDONJSA-N 432.506 0.792 50 20 ICGD CC[C@@H](NC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795267 LLNSDCMBINLOMF-ZWNOBZJWSA-N 431.522 0.365 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825640730 CUKKFNKNPYBSCQ-DJLDLDEBSA-N 432.344 0.431 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1830300106 MKRULWCJMZDXSA-ZJNRKIDTSA-N 437.896 0.890 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681002 MNCLLNVJNTWDHD-KSSFIOAISA-N 442.310 0.700 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805990 YYIHUMDBSNQPIO-KSSFIOAISA-N 443.342 0.830 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1833091381 FYUNEZDYJVAWQF-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1833144926 UBHBQYISPZTJNA-UHFFFAOYSA-N 441.649 0.681 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1833864738 OJMGZSODEPXLJS-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964681 OZPBZAGWSHJCCU-SCLBCKFNSA-N 445.310 0.873 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838479727 BGPSBLUQVAFBFT-LIRRHRJNSA-N 441.868 0.134 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)CC)CCO3)cn1 1839143131 MDJRBVMYKLXDPP-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202789 PNWARDXARLWOSG-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668474 UKBBXSOQGWZCOW-IFXJQAMLSA-N 442.900 0.425 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1839898204 MGAYXBJHXANMCJ-XHDPSFHLSA-N 437.262 0.087 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839962861 TXWPWEASJSTPLQ-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031564 UMLCBOCNTQINOE-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840153598 UYYYZRICZYFHDG-GQIGUUNPSA-N 441.912 0.120 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)nn1 1840153990 HLETVJMEWBCQCF-IFXJQAMLSA-N 442.900 0.199 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C 1840185527 SUTYWMWDQOOZNG-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1)OCC 1840282434 PYDCUVFNDBAGPX-HNAYVOBHSA-N 436.933 0.486 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1840369731 NJQZESHNSKMHLI-DYVFJYSZSA-N 430.299 0.765 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)cc1 1841348184 NNKYMPOZBLOFBD-HOCLYGCPSA-N 443.953 0.465 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)C[C@H]1CO2 1841352301 GXLBKDHHUVNSFE-YRVVQQKDSA-N 443.928 0.568 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011977 QPAHUPJSBDNZKG-UHFFFAOYSA-N 448.332 0.495 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012169 LJOCQHZHOOQPCC-UHFFFAOYSA-N 436.252 0.592 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014208 KOZJOMGGECJYPA-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1OC 1844264817 LHIWPNLFZLWADS-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265318 QJMYMBJPHZUDCX-UHFFFAOYSA-N 432.481 0.027 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1)NC(=O)NCc1ccccc1 1844504281 DDRPPUXMOTWMNK-UHFFFAOYSA-N 441.492 0.279 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc(Cl)n1 1844563786 HHPZOWHRLJTBEX-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD CC(=O)Nc1nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cs1 728214767 SCQVZWLFTYVTRH-UHFFFAOYSA-N 438.535 0.795 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 729455708 VFLWNWQQALKPNK-TXEJJXNPSA-N 436.494 0.555 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNC(=O)Cc3cc[nH]n3)c2c1 730102267 MAUHFAHUUQRQCP-UHFFFAOYSA-N 446.489 0.698 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)ccc1S(N)(=O)=O 730890081 OXMTVYRWCVWDNR-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)C[C@@H](C)O1 732262459 TUKUBLQAPUJXLW-VXGBXAGGSA-N 441.414 0.941 50 20 ICGD O=C(CN1CCN(C(=O)COc2ccc(Br)cc2)CC1)NNC(=O)C1CC1 733199697 TXKHWBPMKHAMMO-UHFFFAOYSA-N 439.310 0.530 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)O 734807637 YLXCBGDNAWHGSB-UHFFFAOYSA-N 445.498 0.615 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 742634601 VLSOTQQUUPUMNY-UHFFFAOYSA-N 427.385 0.622 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)nc2)s1 746129628 VGMOORJYWPVNSV-UHFFFAOYSA-N 445.910 0.172 50 20 ICGD COc1cc(C)c(Br)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 747613452 KAYYEUYTFHVRQI-QMMMGPOBSA-N 444.329 0.013 50 20 ICGD O=C(NCc1cc(Br)c2c(c1)OCCO2)NNC(=O)C(=O)N1CCCC1 748461361 OPMLYZPLPYKDTM-UHFFFAOYSA-N 427.255 0.673 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 751052236 WPSPAMLZNKNPJP-UHFFFAOYSA-N 425.489 0.993 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)N1CCOCC1 755413589 OLRBAVSSIBHLTK-UHFFFAOYSA-N 438.466 0.214 50 20 ICGD CCc1noc(CC)c1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 755810086 QRIZUFHMRKPDSJ-UHFFFAOYSA-N 436.538 0.816 50 20 ICGD COC(=O)COc1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 755913875 MUFSNEWFZJYHCR-UHFFFAOYSA-N 425.401 0.952 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 760888540 KOHNFMAGBXNCMH-UHFFFAOYSA-N 425.488 0.543 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(C)n1 763530791 HZLFVOLDMQCJIB-UHFFFAOYSA-N 440.504 0.697 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN1CCOCC1 763574979 NDGBSMWPMWCXQY-LJQANCHMSA-N 440.456 0.445 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nn1-c1ccccc1 763791849 ZJNHOYUNPVETOK-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 764016814 OMKONWRFBFBHDW-UHFFFAOYSA-N 437.412 0.866 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)c1 764238556 VTACIPKDCUPKDC-UHFFFAOYSA-N 431.408 0.964 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 764424311 HZDWLQPXICCHGF-ZQHDKMAOSA-N 437.518 0.769 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)n(C)c1=O 766635920 JPWZBWHALFFGTI-UHFFFAOYSA-N 429.824 0.030 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3c(C)cc(O)cc3=O)n[nH]2)cc1OC 768275629 DBAXSMCUHOKJSQ-UHFFFAOYSA-N 427.417 0.731 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2cc(C)[nH]n2)n1N 768436372 BISSXJZFPHSHCB-UHFFFAOYSA-N 436.885 0.906 50 20 ICGD COCCN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1=O 769152735 MKVSXNRLJWPMNF-UHFFFAOYSA-N 425.489 0.974 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772187712 BMWKNVNHNDJTCK-UHFFFAOYSA-N 432.864 0.932 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 772967662 PHYJFZRVZODDKK-NSHDSACASA-N 448.867 0.092 50 20 ICGD COC(=O)CCN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 775561143 MPYNNQYUIZUGJL-CYBMUJFWSA-N 426.901 0.679 50 20 ICGD CN(NC(=O)CNC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776212781 LDLUTYYCAKHMML-UHFFFAOYSA-N 433.509 0.981 50 20 ICGD Nc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc(F)cc1[N+](=O)[O-] 777838206 UOPTWSHEWLPGDD-UHFFFAOYSA-N 425.236 0.756 50 20 ICGD CCNC(=O)NNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 778564945 XPLTZUCQYNXUEE-UHFFFAOYSA-N 427.220 0.590 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(O)cc3O)CC2)cc1 780981767 AFLQRRSCEXNNMR-UHFFFAOYSA-N 448.501 0.174 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]3(C)CCCOC3)CC2)cc1 781346300 GZGRWEOIMNBSHL-FQEVSTJZSA-N 438.550 0.265 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CCS(=O)(=O)C1 783426629 IHBQBEUHEQMQMH-ACJLOTCBSA-N 429.470 0.520 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC(N)=O)c1 786608873 JEYWEQVOWZTLFN-UHFFFAOYSA-N 434.474 0.913 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799258590 GTVQWFOHHBUQNG-SNVBAGLBSA-N 428.287 0.813 50 20 ICGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 799856688 JXXCMGGUQROTTA-KHYOSLBOSA-N 439.534 0.601 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802124980 XVNSUPCYSZMJTK-GFCCVEGCSA-N 448.505 0.371 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)CCc1ccccc1Br 812268972 XOLKWMGLGCANQA-UHFFFAOYSA-N 430.280 0.965 50 20 ICGD NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 912852120 KRLHZIBNRUGZAR-UHFFFAOYSA-N 445.910 0.355 50 20 ICGD COCCN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1=O 914661312 LREODBWFFOKMCS-LLVKDONJSA-N 427.841 0.148 50 20 ICGD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cc(Br)c[nH]1 915906119 JYYCLJBAMNMBSF-UHFFFAOYSA-N 441.286 0.976 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 916144514 BMTUXJDNJIGXQC-UHFFFAOYSA-N 436.407 0.741 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 917104471 YPDBZILNKRCKPU-LBPRGKRZSA-N 432.930 0.371 50 20 ICGD O=C(C(=O)N1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1)N1CCOCC1 917864833 IRWHCFQKBDVVEQ-UHFFFAOYSA-N 429.926 0.160 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 1317760756 UAXXFQPANRUGBN-UHFFFAOYSA-N 425.488 0.852 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(-c3ccncc3)c2C)cc1 1320309993 HSXYYERNTRXGBY-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccn(-c3ccncc3)n2)cc1 1321204762 RDEIAKAIODVRAR-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1781531102 YYSDKBCBEVZFOI-FHRFECMSSA-N 442.346 0.369 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1782172889 PVUVELSNLWMEAS-IQUTYRLHSA-N 436.900 0.506 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1783878089 VADMMPYETRUTAI-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934735 GSBVXMDURZLWSO-QFIPXVFZSA-N 432.521 0.902 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785677428 BZBYPQFWWPEUOS-DEOSSOPVSA-N 434.301 0.225 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787505878 RTECMNZUBQEYGG-VGWMRTNUSA-N 435.974 0.409 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921505 MTLNSWZFFONXFJ-XDQVBPFNSA-N 436.322 0.819 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)n1 1789923013 QAGAYUPQFHEHTD-NZBPQXDJSA-N 447.305 0.813 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790643773 VYXUUIMFZSDURT-FQKPHLNHSA-N 428.331 0.992 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791287389 PTABUFYOGKQLFB-DSJPLQJWSA-N 439.278 0.272 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(C)n1 1791290822 OOWXHNQYMXHXOI-WDSOQIARSA-N 431.537 0.665 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1792870382 FZQXWSHLZVDGAG-XPCVCDNBSA-N 432.315 0.449 50 20 ICGD Cn1ncc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)ccc21 1797625601 ZTEJKENBBCKGMC-ACDBMABISA-N 432.289 0.819 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797752807 IJDBLZKRLKNZTR-CCWDJLKJSA-N 439.472 0.211 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1800976923 LYBPDYCFVDSPCX-ZXYDCGBESA-N 433.892 0.866 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807107936 WEAPHNDXIDSHRV-LPHOPBHVSA-N 449.276 0.273 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807363650 AYCRYAPQROWUMX-MMPCJXBDSA-N 437.261 0.112 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813028045 JDADHWFXNOEVAX-GUXCAODWSA-N 448.907 0.656 50 20 ICGD CN(CC(=O)N[C@H]1CCc2nc(NC(=O)CN)sc2C1)NC(=O)NCc1ccccc1 1814788290 ZJCBVUNNPNZTGO-AWEZNQCLSA-N 445.549 0.360 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815488429 AATSBKZWGGPRHX-MSOLQXFVSA-N 425.298 0.490 50 20 ICGD COCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819793761 SIZSHHXFNCABQL-LLVKDONJSA-N 444.517 0.794 50 20 ICGD Cn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794791 DKZYZVXDMQKTOV-JTQLQIEISA-N 440.489 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccn(C)c2=O)[nH]n1 1822410323 FRGFEQSLMOKCFJ-MRXNPFEDSA-N 443.508 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1822414258 OYMNFMASSDOUFQ-CYBMUJFWSA-N 446.468 0.290 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1 1822416776 OFENLQGBBGNFAH-HNNXBMFYSA-N 444.496 0.644 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1822548127 HMOKDMQNMATNOU-GDBMZVCRSA-N 442.350 0.391 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822630938 USXPCDMPCVGUNX-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCBr)CC2)N1 1825072920 XZUUHZWVQBADHG-KBPBESRZSA-N 443.342 0.989 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830539055 ZYRLANOYVAQXHQ-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1830726936 XFKRNXZSLBXCRB-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727797 FSGJLMKFECZCOO-YWZLYKJASA-N 436.896 0.312 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830732996 CTBGEDFUWLVPKQ-LPHOPBHVSA-N 430.860 0.504 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1832084425 RYFCDWLNOVFUSO-UTKZUKDTSA-N 440.924 0.602 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819417 QMOXEMIWAQXJDY-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826298 KBLUYXUGFGIYLE-YJBOKZPZSA-N 443.342 0.761 50 20 ICGD COCCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835177794 LXSBSUCJKQLJMD-GOSISDBHSA-N 441.960 0.314 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835746035 KENQVRPSQTZFIZ-PBHICJAKSA-N 438.960 0.448 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837305438 AGUIEGKWVNZTGR-REWPJTCUSA-N 442.321 0.205 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837747464 NWRLXZJCWPPOEA-GUXCAODWSA-N 440.928 0.592 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1 1838352129 BSPRWEZFTFGHAO-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151545 VZKFQIMRUQDGQN-IAGOWNOFSA-N 425.309 0.632 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)o1 1839197777 IFYMCNPDLZRWIK-LRDDRELGSA-N 449.277 0.501 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839201880 MNVGUKKGLJMPRJ-CZUORRHYSA-N 429.246 0.647 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840034447 LVPKMVDGNWKWKU-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cc1C 1840153603 VATARQSVAONKLO-HNAYVOBHSA-N 428.917 0.535 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nc1 1843012027 WNDLEDMKNXSTLN-UHFFFAOYSA-N 437.305 0.744 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014099 XHHLOMANFMFIEG-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@]1(C)CCCN1)C2)NC(=O)NCc1ccccc1 1845039094 CIGOJUHUIKIHFY-JOCHJYFZSA-N 442.564 0.678 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3cccnc3nc2O)C1 1845607582 VHHPLCSSLSQGJE-UHFFFAOYSA-N 447.455 0.465 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cc(F)ccn1 1848175150 IEXMUBPRMZJOIX-ROUUACIJSA-N 426.452 0.667 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1)c1ccccc1 10215778 CASFWDIRJIDXMB-ZDUSSCGKSA-N 430.486 0.766 50 20 ICGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 109814485 NBGGUIWSMAMAER-UHFFFAOYSA-N 436.494 0.194 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(=O)N2CCc3ccccc32)nc1 726281161 CVWBGYZKKXNFKI-UHFFFAOYSA-N 432.506 0.984 50 20 ICGD Cc1ccn2c(=O)c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc2c1 728329304 VYCMDJYNRSWZRC-INIZCTEOSA-N 438.396 0.147 50 20 ICGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 728942236 MVRCAKLNJRZSBC-LLVKDONJSA-N 429.319 0.664 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)N[C@H]1CCN(CC(F)(F)F)C1=O 732590060 KVMLBJHDFSFFRB-NSHDSACASA-N 426.355 0.685 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737766398 GVFRDLITCYYLIY-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746097172 NDOPEOQICRZXCG-OLZOCXBDSA-N 441.326 0.774 50 20 ICGD Cn1ncc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21 747344365 DELAZFAXSUBUDL-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 751212972 ZYASKXYVNRWSNV-RWMBFGLXSA-N 436.490 0.064 50 20 ICGD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751363887 XWUBMYXQBHMPFT-XKQJLSEDSA-N 436.534 0.504 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3O)CC2=O)c1 752415730 FXYBBIAJZWYBKN-CYBMUJFWSA-N 429.429 0.989 50 20 ICGD Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759515661 FARAWVAFMPFJMD-UHFFFAOYSA-N 436.538 0.871 50 20 ICGD Cc1c(I)cccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 760445899 BUJBFWDZEPXNDR-VIFPVBQESA-N 437.259 0.731 50 20 ICGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 760512476 SANNZZACYUOYML-VIFPVBQESA-N 442.313 0.137 50 20 ICGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nn1 763015301 ZATUVEOAEANTTO-AWEZNQCLSA-N 447.455 0.551 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 763439875 WQXJXQDKNJSKAW-UHFFFAOYSA-N 441.510 0.491 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 763525385 BATBFFADXJBDDB-UHFFFAOYSA-N 436.421 0.372 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 763662899 CEJDSSUKEQMZAZ-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 763681047 IGMRSXRYYQGUDH-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD CC(C)Cn1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 763718891 QRJSEYOTDIMTMC-UHFFFAOYSA-N 436.494 0.189 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1S(N)(=O)=O 763979569 YHYBIAUERFAATI-UHFFFAOYSA-N 440.865 0.655 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)cc1-n1cnnn1 764152883 XYRMCILWLDHUJQ-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764366442 AVLBOBSIALJJMI-UHFFFAOYSA-N 438.440 0.638 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 764399965 OIVXHJSPDFFDLU-CQSZACIVSA-N 444.492 0.809 50 20 ICGD N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767848658 CSWZNIVVDXXURQ-UHFFFAOYSA-N 426.289 0.686 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 768269022 ZKJWCEYIHVKQFK-UHFFFAOYSA-N 439.251 0.624 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 773495945 IAOLLGUDQYPMJE-SNVBAGLBSA-N 426.376 0.974 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cn2)CC1 773700918 POSDTXLYPJKWLS-UHFFFAOYSA-N 443.489 0.117 50 20 ICGD Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)N[C@@H]4CCS(=O)(=O)C4)c3)cc21 777240553 POSBNVLGKAVPIQ-CQSZACIVSA-N 444.473 0.472 50 20 ICGD COCCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 779905751 NMPGJNOTSGYWPZ-ZDUSSCGKSA-N 433.914 0.245 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 784004401 MQLZYJNUAUUDBJ-UHFFFAOYSA-N 448.342 0.783 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc(Br)cn3)cc2)CCN1 784340439 BSDVCNCPLAGOMX-UHFFFAOYSA-N 433.266 0.862 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccnc(N(C)C)n2)c2ccccc2O1 784969400 LSIWZCJJXKAGQC-OAHLLOKOSA-N 427.465 0.306 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 785717886 NUHXPQRKBFXBMS-RTBURBONSA-N 443.500 0.669 50 20 ICGD CCOC(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 796403464 REIAQDNLDFSJII-INIZCTEOSA-N 435.433 0.386 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)NCC(F)(F)F 798313511 IQZIQBWMQHSKJD-NSHDSACASA-N 428.458 0.979 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCC(F)(F)F)cc1 798314953 IKCBMATXCQMPTK-UHFFFAOYSA-N 426.373 0.034 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 808068800 ITZCGTNOSXKGOJ-UHFFFAOYSA-N 441.487 0.727 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)CCOC)c(=O)n2Cc1ccccc1 814745888 JPDARMJNZFYDON-UHFFFAOYSA-N 426.477 0.957 50 20 ICGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)c1 915422245 COYIPZCNDGLRPN-UHFFFAOYSA-N 444.853 0.203 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 916645092 BRWXPBQTQYWECS-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 921199020 GKXVKCNZMYEAMN-UHFFFAOYSA-N 426.477 0.749 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)c1ccc(-n2cnnn2)cc1 921303345 ZJXJCUQKMDHNFT-OFQRWUPVSA-N 430.494 0.149 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1SCC(=O)N1CCCC1 1321415487 TZGNDJIQAOWLBY-CYBMUJFWSA-N 425.532 0.597 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@]1(F)Cl 1782291743 SDRNDYZGPMTHJI-LNKGRISISA-N 438.692 0.418 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783353869 RATPTMVLFRJULS-FCEWJHQRSA-N 445.402 0.626 50 20 ICGD COc1ncc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783414281 AFGBZNRRAHXATJ-HJPIBITLSA-N 432.304 0.937 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1783534511 KPQPSPJREKJWRW-YPIXOSSWSA-N 447.355 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1783934803 MJLXCCPZRPVGQJ-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1783974949 XBBNBBRCOQBGJS-TUUVXOQKSA-N 427.343 0.973 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092197 KCESUFUBLBSUOB-ACBVQSGHSA-N 439.896 0.336 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784660095 KHRFGUMFWIOCIF-MNXVOIDGSA-N 427.299 0.807 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccoc3)C2)C1 1784680348 ZBBJXYACEXTUET-NRFANRHFSA-N 427.461 0.354 50 20 ICGD O=C(COc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786483890 DRWIJVDZWNKACP-YYWHXJBOSA-N 438.289 0.039 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983968 XUZHCSWVGPXRAW-QZUCXDRTSA-N 448.328 0.763 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788750382 GTPWOOHBYTWAGZ-HMDCTGQHSA-N 425.913 0.643 50 20 ICGD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)[C@H]2C1 1789220631 AHOCNIRHOBSCFW-KUZCPNRJSA-N 449.460 0.884 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1791255527 SEBILTJMMUVDDW-MXAVVETBSA-N 425.869 0.657 50 20 ICGD Cc1cc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791291049 ITLIFFMFYBMVHD-KWPSIPDVSA-N 433.509 0.349 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21)C(Cl)Cl 1791295688 TWROMOOUOPAOQQ-AVGNSLFASA-N 442.365 0.195 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(Cl)n1)c1ccc(B(O)O)cc1 1794482403 QZBKDZADWZEHMF-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(F)c1F 1795736967 QFBSYDXOTOJGGC-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc2c[nH]nc12 1795740494 BPBZMISOFVOBSL-RMFSNUHRSA-N 448.288 0.068 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366296 QQWFKQPXRZHWGY-VZAMPYOESA-N 428.844 0.573 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnc2snnc2c1 1798505487 JNMZEYNWMPWDPJ-QCMRWSPLSA-N 444.286 0.980 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799278459 HUEDEJRGRONUIR-RMVUQKRGSA-N 425.309 0.428 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800639845 OXXHKPNOVCZGCL-QEOTZNIISA-N 439.354 0.715 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1805831447 ACRXXMYPEURVMA-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361016 UUXXCADWADFIGD-WMQCIHAUSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368734 XWSARBAVFPOPAT-HOCLYGCPSA-N 436.104 0.885 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807375052 MOZVXFWKSZHIAQ-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD O=C(Cc1cccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807620091 VLLKCPIDCCWZQY-REWPJTCUSA-N 444.300 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(O)nn3)C2)CC1 1807950322 IXDOAVHUHURPJL-UHFFFAOYSA-N 439.476 0.339 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1808310627 XPEFOWGFRVAHHE-RZFFKMDDSA-N 434.921 0.950 50 20 ICGD CCc1[nH]nc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1F 1809975227 YHNXEFFAFDSLIN-UHFFFAOYSA-N 442.300 0.950 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810158383 RDKFAXFKTBUBDN-JKIFEVAISA-N 435.916 0.674 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812310629 BTKIWZZQAAYGOE-LKUPVBHCSA-N 438.337 0.421 50 20 ICGD O=C(CNCP(=O)(O)O)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2 1814770605 XJJMXOQRCOTESV-LURJTMIESA-N 431.238 0.584 50 20 ICGD O=C(Cc1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340773 OUHOMWZZKLTSNX-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(=O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817473811 AXTXSINFRUBESD-MRXNPFEDSA-N 436.233 0.871 50 20 ICGD Cn1cc(F)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817848235 ZKFZBDCNNNCMHT-AWEZNQCLSA-N 442.281 0.840 50 20 ICGD C[C@]1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CCCN1 1819800974 WKAPFPXQPKLJLR-PRWKNARSSA-N 443.533 0.510 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972069 GHTPJXKXTCNRAT-GXTWGEPZSA-N 443.342 0.941 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1825647116 NLNMEQASDALXII-WDEREUQCSA-N 449.371 0.125 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087470 DJLRYOFDIGJEFB-CHWSQXEVSA-N 448.553 0.356 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1cnc[nH]1)CC2 1826092331 ZLQIJFQCYQHVQV-FVOPLDGLSA-N 431.522 0.865 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1829749371 WPEIGWFORLOXTL-KRWDZBQOSA-N 431.946 0.915 50 20 ICGD O=C(Cc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830966582 BVIRPQCMCVWMCP-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1831651918 URPCVNWWTFCLKY-BXWFABGCSA-N 433.933 0.001 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831652332 ZCOPYZLGWXUBPM-SJCJKPOMSA-N 429.861 0.795 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)n(C)n2)CC1 1831872392 TZAMYSYKMGKOJR-QGZVFWFLSA-N 434.541 0.732 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1832619396 OLANAPIAHDBSTJ-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CCc1[nH]nc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1F 1833308570 VOICCTGKLNZKOA-HNNXBMFYSA-N 429.924 0.896 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3F)CC2)CC1 1833632861 BWAJVKQIERVIMX-AEFFLSMTSA-N 432.500 0.228 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834543220 ITRVFGNTNYBJBH-KUHUBIRLSA-N 428.938 0.907 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835008675 SDACFJDNFCHDQV-VQIMIIECSA-N 431.316 0.939 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738303 UKDZZZWBAFUGJF-NPMXOYFQSA-N 442.564 0.916 50 20 ICGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1C 1836201684 WNTUFJZXMDOQQV-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715373 MOSRVEVTRFQEPR-OXQOHEQNSA-N 428.602 0.867 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Br)CC2)CC1)C(=O)O 1837886612 OPLKDEXUTYSMFZ-WFASDCNBSA-N 448.358 0.831 50 20 ICGD CCSc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838846431 UNPQQRDJPHFMPS-KUHUBIRLSA-N 443.953 0.863 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152218 RDFRXPIVYFXNLM-RBUKOAKNSA-N 449.379 0.961 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840034291 HKFYNZMTDJJIJL-CXAGYDPISA-N 428.283 0.173 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840035643 YTEUTQGMWZEARF-KPZWWZAWSA-N 443.294 0.951 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840156189 JTUGPTDOWIZGPI-QFBILLFUSA-N 427.885 0.040 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188585 RHCPEECEKSNDBI-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269819 CHEQXTOAYBHYEB-ZWOKBUDYSA-N 428.602 0.845 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840386273 QBOGGCSPLRJIHG-QFBILLFUSA-N 428.917 0.028 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1841924378 FQOKXQUEAPSNOH-NSHDSACASA-N 433.962 0.949 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844669997 KGCIWNANQDMGOB-UHFFFAOYSA-N 441.492 0.630 50 20 ICGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 24127542 FNFYBWGGTJEXPV-CQSZACIVSA-N 443.547 0.447 50 20 ICGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 726254998 JIVLRFPVOUZAMS-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 726617309 ZPSQAGKGNBQRNF-UHFFFAOYSA-N 448.457 0.502 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CN(C)C)ccc2Cl)C[C@H](C)O1 727762415 CPZWSSNYUVSKRF-RYUDHWBXSA-N 432.930 0.461 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccnc3)c2)C[C@@H](C)O1 728852626 KANPDICZRWYANP-GASCZTMLSA-N 432.502 0.883 50 20 ICGD N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)cc1 730516310 FJLJGOWEYLIDLQ-UHFFFAOYSA-N 443.423 0.836 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 731853213 UDZYASJGSXSBPE-UHFFFAOYSA-N 430.284 0.562 50 20 ICGD O=C1CC(C(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)=NN1 732265266 RQTNBCHYPVTQJZ-UHFFFAOYSA-N 448.527 0.807 50 20 ICGD C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)CC1 733150870 ZCVGVMCKRIHDMS-RCCKNPSSSA-N 425.533 0.942 50 20 ICGD O=C(COC(=O)CN1CC(=O)Nc2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 733613082 XSUBFMIKFKAXRB-UHFFFAOYSA-N 427.373 0.358 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC2=O)cc1 734239492 DRZYFMCLXWPLRC-ZDUSSCGKSA-N 435.481 0.903 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240282 MRQOTEWGJLRPEG-CYBMUJFWSA-N 435.547 0.436 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 740852907 OVKXRDLMSOGFJQ-UHFFFAOYSA-N 430.552 0.989 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2csc(N3CCCC3=O)n2)cc1 744591434 RTYHWLWQDUSTQG-UHFFFAOYSA-N 427.442 0.688 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746760165 BCCBFDIUVODPDQ-ZDUSSCGKSA-N 430.490 0.877 50 20 ICGD CS(=O)(=O)c1ccc(NNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)cc1 748139296 WSCMXZOQDYZZQJ-INIZCTEOSA-N 434.474 0.704 50 20 ICGD CS(=O)(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 748148752 VDCOUGUGKUSFGN-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)C1=O 748544734 MRBSFJRWOWEQFY-UHFFFAOYSA-N 436.424 0.857 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3CCC(C)(O)CC3)nc2)CC1 749607293 JSJJAKAWJGMBCT-UHFFFAOYSA-N 426.543 0.337 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 751200545 PSKJQMHDLJICBU-UHFFFAOYSA-N 434.474 0.410 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cnc21 754001044 XCYFBXYASXVQOC-UHFFFAOYSA-N 429.462 0.223 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757780522 KBJMHMHVUIFFAB-GFCCVEGCSA-N 440.453 0.652 50 20 ICGD Cc1cccc(N2CCN(CCCNC(=O)NNC(=O)C(=O)Nc3ccccn3)CC2)c1 758689821 STBRKZZSCAWOHS-UHFFFAOYSA-N 439.520 0.871 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2csc(N3CCCC3=O)n2)n1 762407046 TVTACIYTTSWJJQ-UHFFFAOYSA-N 437.503 0.511 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCCO3)c2ccccc2c1=O 763785099 DQLQRHCVNMKHEN-UHFFFAOYSA-N 437.412 0.587 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1F 763844165 VTTPIIJRYNDMKX-UHFFFAOYSA-N 441.412 0.674 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 763865362 OZSCLADRSYSUIY-UHFFFAOYSA-N 449.467 0.969 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)c2ccccc2O1 763891206 LTOHRENLOTXKAZ-KRWDZBQOSA-N 442.497 0.775 50 20 ICGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 764001638 BPTXVRBBPZXZQH-INIZCTEOSA-N 436.534 0.439 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cccc1-n1cnnn1 764389083 YHBOSGGFKSRBFR-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 765324488 WZAKEFSZWCMPBM-UHFFFAOYSA-N 428.511 0.969 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 766663854 VGLLZVDQFZCVJN-UHFFFAOYSA-N 425.488 0.542 50 20 ICGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 767880584 IJEKIEUHRMABIU-OAHLLOKOSA-N 436.513 0.770 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)c1 768462149 JZXGXIRFNSNVDN-UHFFFAOYSA-N 430.442 0.974 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 772095574 KMECDXXMCAUNPW-CHWSQXEVSA-N 428.511 0.548 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1[N+](=O)[O-] 782964369 CUOOFALGMHISON-UHFFFAOYSA-N 428.199 0.030 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)cc1 783433692 YZBRHUVYLBIODR-UHFFFAOYSA-N 425.405 0.686 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 784002644 UFMDQISAHKHWEU-UHFFFAOYSA-N 427.417 0.312 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(N2CCOCC2)ccn1 784422754 BYLGRVYOSIOBKG-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ncc(F)cn1 784949938 QTOCYNIJFPFAQG-UHFFFAOYSA-N 436.469 0.679 50 20 ICGD Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 785154845 RREHJOUYKKZKGD-UHFFFAOYSA-N 438.492 0.499 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1Cl 788490502 AAVJOPNBHYCMJQ-UHFFFAOYSA-N 435.867 0.829 50 20 ICGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 788500987 ROFMVUGENZBKPE-HOTGVXAUSA-N 425.488 0.216 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 796552602 UVKUCPVTRPSRGU-MSOLQXFVSA-N 429.477 0.689 50 20 ICGD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857310 SVZDBOUZBFUXPR-GFCCVEGCSA-N 444.477 0.357 50 20 ICGD COCC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 800729648 AQLCFSRCEMPULT-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD COc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1C 802356659 HZFIALLJUTYPOY-CQSZACIVSA-N 426.433 0.861 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 807371498 JILCQGCLQHUTSF-CQSZACIVSA-N 444.554 0.996 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 810413934 LHMNEHDWVNHIQC-UHFFFAOYSA-N 447.517 0.951 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852064 GVXRVPYURAHVHT-STQMWFEESA-N 435.506 0.306 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915684751 BXBFAIMQAVJQRV-CRAIPNDOSA-N 426.408 0.892 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(N(C)C)nc3)nc2)CC1 916444597 ZDBBYRDFPBGFFH-UHFFFAOYSA-N 448.553 0.305 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 916551069 JZRFCXKWYFXHHH-KRWDZBQOSA-N 439.266 0.696 50 20 ICGD CCOc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1O[C@@H](C)C(=O)N(C)C 920384151 ISPMAXALUAGUMN-ZFWWWQNUSA-N 440.522 0.761 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1320640105 KOQNOJNOKKXMJQ-YVEFUNNKSA-N 429.520 0.551 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778432245 WCIFEHWDXIIEIY-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD COc1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1780525846 FCHDKQPEAQAHPY-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2)[C@@H](F)Br 1780771100 CITKTSYNYYMPLN-SRCQZFHVSA-N 434.306 0.813 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782188951 MYPZOWPTECXRCX-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)CCBr)CCO4)C3)(C1)C2 1783443619 FCTVTAPAKLNPIK-ABHNRTSZSA-N 429.311 0.945 50 20 ICGD O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1783565546 MYZYKBKMAUSONF-OXJNMPFZSA-N 449.301 0.911 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783595289 GXYFUOUCHVPDKX-HSZRJFAPSA-N 440.280 0.582 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3)[C@H]2C1 1786507280 FOLGNVVYVDHUSV-VDGAXYAQSA-N 437.500 0.521 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442429 VLVYVOVFPIXGAE-KQXIARHKSA-N 443.298 0.655 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765716 PWMLAWCDANPCBV-ULQDDVLXSA-N 427.618 0.980 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@@H](F)Br 1789924478 GQDKSJNPTOVVCX-PRLGWJNPSA-N 434.222 0.602 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926458 YZMWWPLJWMITNR-PYJNHQTQSA-N 443.273 0.690 50 20 ICGD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCCCC1 1791212770 QIWHERMQTTUOLE-IHPCNDPISA-N 428.338 0.930 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792716143 QWTYAUSSGZXSGE-WTNVTLLGSA-N 426.897 0.572 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(OC)cc1 1792727366 KHCDSYIXMXTIOB-QOIYZWAUSA-N 426.897 0.917 50 20 ICGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)ccn1 1796747305 GIVVBTZPHFHLGU-AYRXBEOTSA-N 443.273 0.934 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H](F)Br 1799349878 MPZDALKHEIZEIP-JOBSXFSDSA-N 436.278 0.796 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)c1 1799860862 KYOULIQIPXRQKR-OWLDWWDNSA-N 436.864 0.967 50 20 ICGD O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)Cc1ccccc1 1800435276 BETOQYZGTWIYRI-YYAJDYIMSA-N 449.301 0.670 50 20 ICGD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)Cc1ccccc1 1800435383 CVKAESZCFYPVIC-RKOFLFEYSA-N 425.323 0.963 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800893265 UNBRNEOTGAQNCZ-UMPJEAMMSA-N 430.343 0.762 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801763478 BYGGCQNFEBGDDA-XCRNZQRYSA-N 441.532 0.890 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C(=O)C2CC2)[C@@H]1c1cccnc1 1803061719 ZEHQFOHSSJKCJI-YJBOKZPZSA-N 436.472 0.379 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370835 LEVIOTSJDQYEOX-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1811497474 RXSBPROXAFSTQL-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814531355 FRBVYECBOKTXGR-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD O=C(NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)c1cccnc1 1814868287 YESWPEBUHXPHQF-HUUCEWRRSA-N 434.884 0.827 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815254137 MXRYGEYAWANVQV-IRWQIABSSA-N 428.298 0.802 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2 1817280196 PPWFPGNLDUXHCU-WCUFRYMPSA-N 444.517 0.960 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n(C)n1 1817473129 HFZACNGZQQZXTL-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\C(=O)NC2CC2)CC1 1828795463 NRGLZDDNOFQXRD-SCEWNMGZSA-N 447.580 0.814 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829563873 OMRCQYQACRCEGP-RDTXWAMCSA-N 448.303 0.764 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362482 XJOSRQWGHBRSET-IFXJQAMLSA-N 432.949 0.415 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738782 SNKVOZOFXHPONE-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710506 KYGGKRYFIYGRPF-MRXNPFEDSA-N 441.960 0.517 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1836072751 RNJDJPJTRRMBJL-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccsc3)C2)C1 1837456195 FEFSLEYWIKWUJS-HXUWFJFHSA-N 445.501 0.130 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1OC 1838930492 XPLXFVQCKWJYEQ-FOIQADDNSA-N 442.896 0.374 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198983 PKWWKDFQGNUSEC-XHBSWPGZSA-N 425.295 0.540 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840151135 VXQOITRZVLBOSQ-AUUYWEPGSA-N 434.917 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840151856 PMWCZDXLBRKGGB-MGPUTAFESA-N 440.928 0.612 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1840182647 OWSYHCKFNDYPJU-GZNAHNRGSA-N 434.493 0.122 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840196070 NIDYXPZHCHRGKE-CJNGLKHVSA-N 439.372 0.342 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840854259 YHKPEFPVEISNPA-PXNSSMCTSA-N 443.617 0.599 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnc(C(F)(F)F)c2)C1 1842327623 GXKXJGCTYHFQFB-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)s1 1843014381 DOJIQRXXESCSFX-UHFFFAOYSA-N 442.302 0.274 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnn2-c2ccccc2)C1 1843596519 DSLDZJFKAFSUQN-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846348362 NWQCXIMZTIRIPW-IRXDYDNUSA-N 428.294 0.163 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847562922 FPSRBHIWEJXFOL-CAEXGNQWSA-N 431.917 0.158 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 1847761781 FFVLIXHTBUPIHO-ACRUOGEOSA-N 433.273 0.375 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2Cl)C1 17805981 AOFNORWLOJHHHB-NSHDSACASA-N 442.925 0.800 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c1 728529054 PJGJPQIRLYPKHZ-UHFFFAOYSA-N 446.323 0.811 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 731848493 FYTKIZNGIPZPNR-CQSZACIVSA-N 441.510 0.483 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@H](C)O1 732262625 UZSTZRVSSDBAAN-STQMWFEESA-N 430.527 0.617 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(=O)N(C)C 734415845 CHZUHTKMBYVWHF-UHFFFAOYSA-N 440.503 0.198 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]nc2-c2ccncc2)CC1 735118934 ZRHNAWZNKIXQND-UHFFFAOYSA-N 442.505 0.560 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 741361001 YLGWFTAASQPBFK-HNNXBMFYSA-N 449.464 0.977 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c3ccco3)cc12 742062677 QINSQKIVEMXYOE-JTQLQIEISA-N 432.462 0.232 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2cccc(Br)c2)CC1 743601828 JNVZRWZWUVRXAT-UHFFFAOYSA-N 447.355 0.902 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)cc1 745778710 LKSBJLLEMNQTFQ-UHFFFAOYSA-N 440.503 0.900 50 20 ICGD C[C@]1(NNC(=O)NCCNC(=O)c2cccc(Br)c2)CCS(=O)(=O)C1 750330695 HGBWZXCWONCHKG-HNNXBMFYSA-N 433.328 0.560 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)Cc3cc[nH]n3)ccc21 755283442 XEOLBEGTJIMCJB-UHFFFAOYSA-N 428.453 0.070 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 756908389 AXROIRSTHVEYFI-CYBMUJFWSA-N 443.895 0.982 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1=O 757765641 WEWGGBICYQHMHF-UHFFFAOYSA-N 440.416 0.769 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1C 763785051 CDDAWOIRIYPFGX-UHFFFAOYSA-N 437.412 0.428 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764077157 LUDSJYYVWDGUOH-LBPRGKRZSA-N 426.495 0.276 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764130246 FMNQPKPTOOYTTR-UHFFFAOYSA-N 426.473 0.856 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2scnc2C)c2ccccc2O1 764247527 YXMNKHHGZWGGPT-AWEZNQCLSA-N 431.474 0.533 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCCS2 764424986 LTOGRSMMNCQHAY-SNVBAGLBSA-N 443.503 0.464 50 20 ICGD CSc1ccc(Cl)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765725942 WTCBYZUCYLHKJA-UHFFFAOYSA-N 436.881 0.270 50 20 ICGD CC(C)[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 765728303 NMUPOEXXWDSEBK-OAHLLOKOSA-N 426.477 0.411 50 20 ICGD O=C(Cc1nnc(O)c2ccccc12)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733092 NGGRUHIXSNCGDY-UHFFFAOYSA-N 448.483 0.483 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)C[C@@H](C)O1 768930488 SUWVBKDZOQTSSA-LRAJWGHMSA-N 437.541 0.524 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc(OC)c1OC 769725963 HIWXNELAZDKNDV-UHFFFAOYSA-N 438.462 0.433 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNc2nc(O)c3cnn(C)c3n2)c(C)c1 770972915 BGSMMEMUHMXIMH-UHFFFAOYSA-N 433.494 0.806 50 20 ICGD CC(C)C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 771886439 XXICZEWZZBYNTD-LBPRGKRZSA-N 438.428 0.421 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)C1 773412045 TVXBDWYGDCGRAG-GFCCVEGCSA-N 446.551 0.821 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1F 782887531 RASDJBOJRNNTPN-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)nc1 783263170 IBMXALCZGYMQAC-UHFFFAOYSA-N 448.505 0.679 50 20 ICGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004319 WGLDVUGOSCQWQQ-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C(=O)c1ccccc1 792030733 RMTBPILICPAWEJ-UHFFFAOYSA-N 445.497 0.670 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 792980509 RZPLABYLNLKMNY-UHFFFAOYSA-N 444.400 0.646 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 793026972 VVIUIJSCZKZFNZ-UHFFFAOYSA-N 437.472 0.766 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)CSc1ccccc1O 793748231 BVWGSENTJGTTKF-SFHVURJKSA-N 436.490 0.247 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1 799257260 HGMPDMTWLPZTLS-UHFFFAOYSA-N 428.401 0.459 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)o1 806978658 CMXYBMNZJRBNOY-KBPBESRZSA-N 426.429 0.385 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCc2nc(N(C)C)no2)c2ccccc2c1=O 812219927 TWPOZBJCTVPLEF-UHFFFAOYSA-N 428.453 0.790 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)Cn1cc(Br)c(O)nc1=O 836494154 PGYCFCRPQYRFBY-UHFFFAOYSA-N 428.268 0.738 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2Oc3ccccc3NC2=O)c1 916826897 LJVGSZSDYHSEGG-MRXNPFEDSA-N 432.458 0.488 50 20 ICGD O=C(CN1CCN(C(=O)COc2ccc(F)cc2)CC1)NNC(=O)c1ccc(F)cc1 917109265 PNXIESPAHZBLCX-UHFFFAOYSA-N 432.427 0.949 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)Cc3ccccc3)CC2)cc1OC 917111394 FEQHYFWHEPJRLL-UHFFFAOYSA-N 440.500 0.852 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCc2ccco2)cc1 920855952 SAAQRCKYWFDPSW-CGQZWFTASA-N 425.445 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780823790 UGFFUUHRFGWSLW-NRFANRHFSA-N 445.426 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782237063 FVCHKOHBAGSRPJ-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1783937411 KHEVVSCLXQDUMQ-JOCHJYFZSA-N 431.537 0.562 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406552 XWPZLKPRPQRIEP-RFGFWPKPSA-N 433.347 0.459 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984140 LWLHEPGTCUQGSE-MDKPJZGXSA-N 448.288 0.150 50 20 ICGD Cc1ccoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610155 GPBSQPFSVMKOED-JQFCIGGWSA-N 427.461 0.494 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21)[C@@H](F)Br 1789923116 ZHPSHBXAWBDIOD-RZLSGREXSA-N 436.322 0.379 50 20 ICGD CCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791289148 LGCPLWRQRZAOTJ-LNLFQRSKSA-N 431.537 0.610 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C)o1)C2 1796445607 FRIQYDRVOKMILX-OYSOCFBGSA-N 441.488 0.854 50 20 ICGD COc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751659 MBFISESHFDEDGL-DRXBFXEBSA-N 445.501 0.272 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)n1 1803139505 QFEJRTPTADCABB-NXHRZFHOSA-N 435.912 0.844 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1807362541 LDXJQIHXRYNLKE-XLIONFOSSA-N 434.261 0.691 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)COC1 1807363904 DGMNWYQYCRNYRZ-AZUAARDMSA-N 437.305 0.508 50 20 ICGD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366183 XPULUNLXWCFQLK-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1808764547 QMJOCBWPADJKDE-RXVVDRJESA-N 445.288 0.493 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810214811 GJJXMTKAYWYGDN-PVXIVEMSSA-N 436.310 0.994 50 20 ICGD CO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813105796 UEYLCGSYUHIUTF-DDUZABMNSA-N 426.477 0.435 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1)[C@@H](O)N1CCOCC1 1819443529 ATUYMIITFUHJBJ-SUMWQHHRSA-N 444.330 0.837 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ncccc3F)sc2C1)c1ccc(B(O)O)cc1 1820920988 UWQZDRSNTANWLJ-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)CC1 1824573934 VJNNPBVZBAGDGJ-SJORKVTESA-N 444.492 0.027 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ncccn1)CC2 1826080310 AQYBLIWCZRLPHU-GFCCVEGCSA-N 431.522 0.461 50 20 ICGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1829887615 YPWHGKOLNVZNSB-GOSISDBHSA-N 432.359 0.570 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1830544940 CJRPLUJDJOISRB-IIDMSEBBSA-N 443.342 0.932 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c[nH]1 1830724493 HYRIBDLPLPVDTA-FOIQADDNSA-N 427.929 0.982 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C(F)F 1830732891 XUTMKDJKTKSMCO-SUMWQHHRSA-N 436.843 0.256 50 20 ICGD O=C(CCCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738816 UUQABYSTAZPYJU-FXAWDEMLSA-N 425.913 0.460 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833669496 XBMWNXXYFWZYBS-INIZCTEOSA-N 433.278 0.712 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836463 NBCAYTXOUKOGGM-SJKOYZFVSA-N 443.298 0.426 50 20 ICGD O=C(CCOc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834827178 ILIGSUIGDWZYSS-YLJYHZDGSA-N 426.897 0.512 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1834847918 AWBKXXRQOMVTID-DYVFJYSZSA-N 435.315 0.427 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835934247 RNJZOPPWTIVLRH-NRFANRHFSA-N 444.318 0.120 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064765 BFXZKGZHQHJGHG-CXAGYDPISA-N 429.315 0.202 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717105 IGSGZKYQDIJUAU-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD O=C(c1cccc(F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837908166 RJOPMSLRUQIKTH-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838089179 UKKSVVQUEFVDKW-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)o1 1839152152 PIBQPRYVVQXCEU-DLBZAZTESA-N 435.308 0.613 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839355240 RSRSCWOLZSYXRP-KSSFIOAISA-N 445.831 0.404 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)nc2nccn12 1839548901 PKDJXYVXPANAIN-RDTXWAMCSA-N 425.848 0.642 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1 1840034259 GKPUFNGCIYCSQA-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036792 RFGJRBKDDOMSGM-HUBLWGQQSA-N 427.723 0.480 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1840183605 OTVFSOUPGQABOX-QFIPXVFZSA-N 432.521 0.059 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840433147 HRWRYUWGXSOOGY-JKIFEVAISA-N 447.305 0.666 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)c1ccccn1)CCO2 1840504661 OWMIAAXRKQUCNI-TWOQFEAHSA-N 425.913 0.895 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841211346 SGKDZXCPIZNPPL-ZDUSSCGKSA-N 446.508 0.415 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2ccccc2=O)C1 1844365140 UTTMXZHTZLIIST-WTJYETQFSA-N 438.488 0.747 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c12 1845707429 PPIJUWQJKJUCNT-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD CCOc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cn1 1848338641 WWJTYNBBUNNUPB-HOTGVXAUSA-N 425.449 0.003 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=S)NCCc1cccs1 11520470 FQQYCUAEIVPGLM-UHFFFAOYSA-N 443.554 0.858 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16201105 HQLWPEBVQGAQGM-UHFFFAOYSA-N 430.490 0.072 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)cn2)CC1 726092052 SFLQRBHRDCSOIL-UHFFFAOYSA-N 431.522 0.155 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1OC 728513066 PZIHEJXYJPAEQO-MRXNPFEDSA-N 434.493 0.762 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)c2cc(F)ccc2Br)C(=O)NC1=S 728610954 PMAJBEUJJTUOEB-YFHOEESVSA-N 445.270 0.596 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)o1 730765441 IWAKIQDSXMETBW-UHFFFAOYSA-N 430.464 0.291 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 731978599 XARLEFHWFQIXHT-LJQANCHMSA-N 432.521 0.489 50 20 ICGD O=C(NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 732954016 HSYYAUACUOLVGA-LUYJPIOASA-N 432.458 0.568 50 20 ICGD CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC(=O)NNC(=O)c2cccs2)CC1 732984409 RGIZZMCJXDTAOH-UHFFFAOYSA-N 442.485 0.797 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 740852961 QOAGAVRIIBTNLE-UHFFFAOYSA-N 438.550 0.856 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742242370 ZMJRBRMKMWTJQU-CUFCCSJMSA-N 447.444 0.024 50 20 ICGD COc1ccc(C(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742472470 OGCMNGZPSZPKEL-LBPRGKRZSA-N 446.485 0.982 50 20 ICGD CN(CC(=O)NNc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 748154636 RLNHLLPRZKXLQT-UHFFFAOYSA-N 442.475 0.762 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)CC2=O)c1 752789797 PWVQEUPYWRTDJC-XHSDSOJGSA-N 448.520 0.703 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)CC(C)(C)O3)n(C)c1=O 757688979 GPEZOPLTNOXVDT-UHFFFAOYSA-N 441.448 0.000 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)n1 757725494 QNXFMJXGZMPFRV-UHFFFAOYSA-N 449.899 0.824 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 758048278 RMTAELOXLCXGFZ-SJCJKPOMSA-N 431.470 0.840 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)C2=S=C3CCCC3=C2)n1 760280588 VGIBUFVWCDSKRS-UHFFFAOYSA-N 425.474 0.567 50 20 ICGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc12 763439379 NKTBHFJISQQDBA-UHFFFAOYSA-N 426.499 0.891 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 763513041 XSCZRHHSHNIEIF-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c(C)c1 763659439 OAZLGNSSNRWWJG-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 763734228 IHOCJGVYXNQFHA-UHFFFAOYSA-N 448.501 0.800 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1=O 763807350 AKWAKTTUBAAEIO-UHFFFAOYSA-N 448.233 0.184 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1S(N)(=O)=O 763809766 PAQHQLXZDSCVNL-UHFFFAOYSA-N 434.474 0.370 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 764389124 ZPSRFLOOLDWRHY-UHFFFAOYSA-N 436.403 0.901 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)n[nH]1 768274224 PVSYKXJUNNDVFN-UHFFFAOYSA-N 444.473 0.610 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 771893427 JRHNGKMIYKAKPV-AWEZNQCLSA-N 441.506 0.446 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1F 773886594 ZCGFBWKNSWCJOF-AWEZNQCLSA-N 426.404 0.739 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1F 773886597 ZCGFBWKNSWCJOF-CQSZACIVSA-N 426.404 0.739 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(OC(F)F)cn2)CC1 776149950 ZSKIBBOCVGMLCE-UHFFFAOYSA-N 442.448 0.771 50 20 ICGD CN(NC(=O)CNC(=O)c1cccc(O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 779413475 IWIJQECABZIQEQ-UHFFFAOYSA-N 435.481 0.758 50 20 ICGD Cn1cc(-c2nc([C@H]3COCCN3CC(=O)NNC(=O)c3cccc(Cl)c3)no2)cn1 780442098 CPGFTSSQLHAVII-OAHLLOKOSA-N 445.867 0.958 50 20 ICGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 780928306 XXDPAERCDZEFPE-UHFFFAOYSA-N 436.476 0.029 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 780974047 MYNHZWDUDHNVNY-UHFFFAOYSA-N 433.259 0.834 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(C(F)(F)F)cc1 782062228 OXQWYZHRKUIDFR-LBPRGKRZSA-N 445.423 0.849 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 783998626 FYDASJTZWZKLQX-UHFFFAOYSA-N 441.372 0.326 50 20 ICGD O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 784827728 HXUYIHZGCYFYQI-UHFFFAOYSA-N 433.446 0.911 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccncc1 787543692 LKQLJOJPNVOAJG-CYBMUJFWSA-N 432.458 0.703 50 20 ICGD COc1ccnc(NNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 789309272 IQMZNVNATDOYCK-HNNXBMFYSA-N 432.456 0.968 50 20 ICGD C[C@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 804952727 RFRLBJDFUTWHDE-GFCCVEGCSA-N 426.462 0.623 50 20 ICGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)C2 809957677 UCLVWBQVPROZGI-MRXNPFEDSA-N 431.518 1.000 50 20 ICGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)c1cc(Br)ccc1O 810449453 QQLDRDHEGPTVAY-UHFFFAOYSA-N 434.293 0.956 50 20 ICGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1Br 815693168 NYIOTMRVGSRVOV-SECBINFHSA-N 439.245 0.837 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2=O)cn1 816509788 CGDBYVHZUTVQDF-CQSZACIVSA-N 444.492 0.979 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2cnn3c2OCCC3)cc1 821124150 OOOJGJSFYPOPBX-UHFFFAOYSA-N 449.518 0.710 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 839410212 MBLCVWGSAHIPOX-UHFFFAOYSA-N 429.418 0.687 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@H](B(O)O)C1 864233415 JEUSQHCHRAXNHA-SUMWQHHRSA-N 426.300 0.226 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNc1ncccc1C#N 916641301 SEOGJQGLUJTNNI-UHFFFAOYSA-N 430.494 0.611 50 20 ICGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917918727 BKUDAFUIJIKYRH-CYBMUJFWSA-N 430.914 0.786 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c(F)cc(F)cc2F)c1 918724823 DKXKITAAWVWPLD-UHFFFAOYSA-N 437.421 0.978 50 20 ICGD COc1ccc(-c2noc(CCCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 919883946 CXDSLOFCOLMJOQ-CYBMUJFWSA-N 437.478 0.585 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=S)Nc3ccccn3)CC2)cn1C 1119111514 OIEWCEYPNYIORC-UHFFFAOYSA-N 437.551 0.542 50 20 ICGD O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)[C@H]1COc2ccccc2O1 1317653029 QRHKVZIACDSOQH-YMBSLFMGSA-N 430.457 0.848 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)CC1 1319039775 QUVOAPXNKQGMCX-UHFFFAOYSA-N 444.554 0.373 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C)n1 1779909296 FTJXJCQEZDOUSV-QFIPXVFZSA-N 438.488 0.454 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1781485246 NQQDJMDUTABVMN-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(F)c1)C2 1782210874 VGBVWWCPMYUEKS-DYESRHJHSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1782213427 QLUJFXGDEIYEHG-OIFQWBKQSA-N 436.578 0.748 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783595736 ZEXHINJWISVFMY-QHCPKHFHSA-N 440.280 0.582 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626300 WNXOMGRXECSYLO-AICCOOGYSA-N 430.343 0.523 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783870870 ICESZDGURGEYMY-NOZJJQNGSA-N 434.770 0.425 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)[S@](=O)c1ccccc1 1784094274 MSFZWBPQFCYFIU-QJWUQMOMSA-N 442.965 0.762 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748738 ONMAZFUVXYARKN-UGUYLWEFSA-N 432.359 0.472 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979640 GSHLEUPJJKUGGA-KNBMTAEXSA-N 448.288 0.150 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1cccs1 1786983816 UCFAGSGCRXHBAM-CBVHJVASSA-N 442.346 0.825 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508177 MUSNBOSNROFJLT-NVSCEKFWSA-N 445.520 0.715 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1789873006 NXUFARKPNNIETG-RSLFNQERSA-N 432.304 0.127 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790565960 ZMLVZFWTVPUPLO-JURCDPSOSA-N 441.326 0.878 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1791256722 FZJZPXQYLHQVQE-CAVMOMJPSA-N 448.951 0.986 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975781 YIQJCPZHXJKACB-NEXGVSGLSA-N 430.929 0.545 50 20 ICGD CCc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752959 OLEOXTGHSDTMAQ-DRXBFXEBSA-N 444.517 0.221 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801171702 AZXJBCPVPCLMQT-IBHRTIHJSA-N 436.317 0.448 50 20 ICGD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804648551 NPTOPJOLSYCJBK-UGKGYDQZSA-N 445.288 0.114 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1805382251 CXDLAWIVAAOEBY-CYBMUJFWSA-N 443.342 0.800 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CC[C@H](N)C(N)=O)CC2)C1 1805383618 UCEVMEICMAUKGU-KBPBESRZSA-N 431.375 0.841 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccccn1 1805441813 YKSPFXSKBUEJKF-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cnn1C 1805924599 HJEBPHDRZXCWBJ-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369397 IQEXYMLZCREBRW-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCCO1 1814504572 TVSBFZYEHDQAFE-MSOLQXFVSA-N 426.282 0.965 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1(O)CCC1 1815335852 UBNOTHBOTHCYEW-SWLSCSKDSA-N 443.334 0.600 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1815896018 YVTPXKFVLGDODE-AWEZNQCLSA-N 439.306 0.648 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n(C)n1 1816444962 QBWQNAWACGYVKH-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccncc3F)sc2C1)c1ccc(B(O)O)cc1 1817864223 PLZHUDJXOQIULT-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)ccn3C)sc2C1 1821318598 FXHHXGIOJFIFDW-LBPRGKRZSA-N 446.533 0.441 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060658 WHLJCSATOVKYRS-UXHICEINSA-N 448.394 0.714 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722416 BBZNMVCOHIRHNK-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830722934 KELMQYABIBNLJX-SJKOYZFVSA-N 435.308 0.295 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831818387 HBRKFYLYCXEMQY-BEFAXECRSA-N 428.917 0.361 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833276686 YOTDGFBCFLKTNO-XJKSGUPXSA-N 432.246 0.081 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cn1 1834530256 BVYOPORXOBGECN-ROUUACIJSA-N 447.319 0.792 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572786 WRQMOAYCNIUGNS-LBPRGKRZSA-N 438.388 0.386 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678406 PQBIBHDJMRRWAR-AWEZNQCLSA-N 431.379 0.215 50 20 ICGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1)C(=O)O 1834738432 FERNWCWGBRWPDL-INIZCTEOSA-N 430.977 0.886 50 20 ICGD N[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cccnc1 1834761589 GTKIMICKPPDYRV-OALUTQOASA-N 437.972 0.643 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835703652 ZHSACZYUNUWKEO-UYAOXDASSA-N 436.585 0.389 50 20 ICGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1ccccn1 1835705106 GOMJUKIMZXTNTJ-VBQJREDUSA-N 445.289 0.228 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939440 QWIQKTKIYSSSFB-YVSHKSEASA-N 442.321 0.183 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836035862 KSOVFVNAEMWDTA-VQIMIIECSA-N 429.876 0.473 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015606 DTLYDVRPRICLGN-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837070753 UJDOVSYNKSTPFL-UHFFFAOYSA-N 446.378 0.898 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717819 ORDMMFMVKKGMAH-YLJYHZDGSA-N 438.601 0.827 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837756907 KQLBSFFVVSJSTJ-KDOFPFPSSA-N 430.864 0.529 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838832308 VLZOCPJOBJNZBO-KUHUBIRLSA-N 428.917 0.906 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107171 FIRJUXQMJLMJLG-FXAWDEMLSA-N 442.988 0.240 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199742 STGLAISYBHMAFS-RDJZCZTQSA-N 448.264 0.910 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839432108 BMOVIELABJKOLX-KDOFPFPSSA-N 449.287 0.421 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cc3ccncc3)CCO2)C1 1839660884 GTLAETZNRMNHSW-MDKPJZGXSA-N 439.940 0.970 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839963857 YZEWFQOJCJEDIU-PBHICJAKSA-N 429.315 0.664 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1840150223 HZWJSRNOXWWYPE-BEFAXECRSA-N 446.331 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1840153336 KXAOYORISSUPJR-UZLBHIALSA-N 441.912 0.722 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1840407368 JQKPFZACRMKZRM-HDMKZQKVSA-N 443.342 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccn(C(F)F)c1=O)C2 1846385252 ISOUCPSBSFKFSH-UHFFFAOYSA-N 425.436 0.433 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1 1846386158 IAXWKZWZCLAWCD-UHFFFAOYSA-N 430.505 0.592 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 16785688 ZQEYOHCLOLVGMZ-CYBMUJFWSA-N 447.510 0.196 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CNC(=O)c1cccs1 725901924 APXCYXBRONHYAE-UHFFFAOYSA-N 442.494 0.523 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 725909277 IMUPUBRCBLQPLD-KRWDZBQOSA-N 433.440 0.820 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 726066302 RRLOJDGPCHTMDB-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(CCN3CCOCC3)CC2)cc1OC 726601424 QPPHNCPCVKIHHC-UHFFFAOYSA-N 434.537 0.899 50 20 ICGD CN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728947602 NYZIDAIHZFKBRV-UHFFFAOYSA-N 425.493 0.682 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)COc3ccccc3O)cc(C3CC3)nc21 730782457 OQCLIWUERNYHKI-UHFFFAOYSA-N 425.401 0.457 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cn1 735509545 ANJHHWBXKRDDKG-UHFFFAOYSA-N 429.481 0.225 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 735634950 KRNGFBUWMCHSCT-GOSISDBHSA-N 435.492 0.619 50 20 ICGD C#CCOc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 743420149 WPTXBTALPVTNGO-UHFFFAOYSA-N 429.502 0.787 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 744453492 LBEZKIWQFNZSOT-KRWDZBQOSA-N 441.419 0.559 50 20 ICGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 746813740 SVSPBVJTCGCASA-UHFFFAOYSA-N 443.547 0.447 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)cc1 747438479 WTDHZVSIKAAOGS-UHFFFAOYSA-N 426.520 0.998 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)c(C)c1 748247177 MALZFIOWMDRMCR-UHFFFAOYSA-N 436.534 0.474 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)CC1=O 748593729 KVLBPYFRFAAJPT-AWEZNQCLSA-N 425.555 0.617 50 20 ICGD O=C(NNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)c1csc(N2CCOCC2)n1 749111312 GTIBFLONQMTCON-CQSZACIVSA-N 425.511 0.604 50 20 ICGD CC1(O)CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 749607724 OTXWDHRWMTXYEI-UHFFFAOYSA-N 440.522 0.345 50 20 ICGD COc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)on1 753485371 VTGKXHACNVYBJO-UHFFFAOYSA-N 438.462 0.098 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755052595 SYBQYODNYBKTST-GFCCVEGCSA-N 439.494 0.346 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756071758 GZKKANSOCCRIBP-GHOZOMOVSA-N 441.510 0.704 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccn1 758832699 YOXFHLZMZRQLNK-UHFFFAOYSA-N 433.380 0.871 50 20 ICGD CN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 758838062 AFVXLSHEXKXLCP-UHFFFAOYSA-N 425.854 0.142 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(OC)c1 761274697 VSKYPUIXUYZENG-UHFFFAOYSA-N 428.492 0.404 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2O)c2ccccc2O1 763530423 VDUWOMAADZXSEI-QGZVFWFLSA-N 426.429 0.474 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763557804 DXLPZVSLJPHUIF-UHFFFAOYSA-N 439.833 0.872 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)ccc1C 763622956 AAQMVFUOINCBHC-UHFFFAOYSA-N 444.473 0.259 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 763760826 UGABLFIXUDZBFO-UHFFFAOYSA-N 449.471 0.745 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763805013 QPIAJYZSMDQCKD-UHFFFAOYSA-N 429.389 0.048 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 763921851 WUOSEIAMRMHMGK-UHFFFAOYSA-N 448.476 0.903 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cc1ccccc1 763995948 AYLFCIODZHDPOQ-OAHLLOKOSA-N 445.497 0.807 50 20 ICGD COc1ccc(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1C 768092755 DLSDNUROQOUBKH-UHFFFAOYSA-N 449.533 0.857 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc21 770974249 SSVBWZYVVOHHDS-LLVKDONJSA-N 449.468 0.752 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 772130585 ATKDNOBRPGTFRW-BBRMVZONSA-N 443.460 0.888 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)NCCc2cccs2)[C@H](C)O)cc1 779503836 UTWUZIBPZNLXPK-XJKSGUPXSA-N 440.547 0.657 50 20 ICGD COC(=O)CNC(=O)NN=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 779824063 ZDXCCCZMZBEHGR-UHFFFAOYSA-N 425.467 0.258 50 20 ICGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 781034849 RBFZLYPSYUCSRF-CYBMUJFWSA-N 432.458 0.617 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 781832893 BXKIYAUDHYQYKG-SFHVURJKSA-N 446.529 0.801 50 20 ICGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)c2C)c1 784003767 APDJZOAMWFBLBX-UHFFFAOYSA-N 438.444 0.906 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784213410 MCNIISWQEWKPML-UHFFFAOYSA-N 449.489 0.629 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 792811575 YUUNWWCGAMMKII-MRXNPFEDSA-N 447.517 0.992 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1C 797609998 DTWRMHIRHPQXAQ-UHFFFAOYSA-N 449.489 0.982 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc([S@](C)=O)cc2)cc1OC 797915734 IMUGRAAZDUCOCV-PMERELPUSA-N 434.470 0.988 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccnc(F)c3)ccc2F)CC1 801185816 AGUHVYYIIJKPSF-UHFFFAOYSA-N 439.444 0.970 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cccc(F)c1 811104819 XHMRQSICGHSGAA-UHFFFAOYSA-N 431.467 0.659 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 815752432 RXBZCAPCPJEOLV-UHFFFAOYSA-N 433.494 0.842 50 20 ICGD O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[C@H](B(O)O)C1 864233068 FLCMHLIZDKSHNE-STQMWFEESA-N 445.144 0.925 50 20 ICGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 913054412 PFCLEVOQPKCPGJ-CQSZACIVSA-N 439.944 0.642 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 913431534 PFOSRXNJHWLGRX-UHFFFAOYSA-N 448.501 0.694 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829819 XMPYTFXEEHQGNJ-AAEUAGOBSA-N 445.950 0.615 50 20 ICGD Cc1cc(Br)cc2c1NC(=O)C2=NNC(=O)CSc1nnc(O)nc1O 915048034 AAXJRKNXLOEGCR-UHFFFAOYSA-N 439.251 0.918 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c2ccccc2c1=O 916249623 CFKLHJPVYIHSEP-GASCZTMLSA-N 430.509 0.860 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)CN1CCCC1=O 920826650 NFCCSQNQKACFDH-CQSZACIVSA-N 426.926 0.961 50 20 ICGD Cc1c([C@@H](C)NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C 1115855131 YWYSAKZIAOCBLV-CYBMUJFWSA-N 436.542 0.447 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=S)NC(C)C 1320279460 IKYGPEIAGDCEIE-UHFFFAOYSA-N 438.579 0.973 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 1324810519 RCZQCPDLZWTTOI-KRWDZBQOSA-N 444.521 0.668 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778003532 XKCWTDXTRGIRLU-QDQQSUIJSA-N 447.486 0.672 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778307255 HHBNZQCKRWRQPG-QGZVFWFLSA-N 426.200 0.152 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527898 AEGPOKIINSBQLO-DLBZAZTESA-N 431.276 0.855 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1780706083 RPDVIJPOIXABRC-BXTJHSDWSA-N 440.928 0.789 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230899 AKVQPHHEYVHEBZ-SNRMKQJTSA-N 435.396 0.689 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1783885326 ZCGDLEZGLUSRCI-UTKZUKDTSA-N 437.924 0.809 50 20 ICGD CCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984362 ISADWVURJSFSCR-CUWPLCDZSA-N 437.305 0.231 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789870485 JGRHDBQAWLQLKP-PLGIXQIDSA-N 437.368 0.910 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1791055441 VTNZXTZZSMUMJX-JURCDPSOSA-N 426.311 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21 1791287959 IEDUVVAXHPHVPF-SRVKXCTJSA-N 426.411 0.240 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1793085526 JHPWRSFECCWOSL-ZUWCUPBKSA-N 437.896 0.386 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795899261 LLQJOORRDDXZBH-GTYSZEQSSA-N 447.444 0.902 50 20 ICGD O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187286 WAUVZWSBKHNBPV-REPLKXPHSA-N 426.253 0.836 50 20 ICGD COc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n1 1796189991 PNJZEHNERGZSIU-ACDBMABISA-N 437.305 0.655 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)n1 1796596513 IIOWXNHZRNPJEF-XCCSTKFXSA-N 433.278 0.423 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2)N1CCN(C)CC1 1799185869 QEQXXPIREPTBGJ-RUEZSYAVSA-N 435.396 0.448 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804808592 SUNDWWZQOKDKAZ-LXZKKBNFSA-N 431.880 0.495 50 20 ICGD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805822690 SVJUFYSSRSEQIT-XLIONFOSSA-N 434.261 0.691 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807363749 NUUFRMZBASBRJI-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368733 XWSARBAVFPOPAT-GOEBONIOSA-N 436.104 0.885 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807371774 ZUZGUYOVANLVFR-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807522852 XAPMFSDMZZYCRL-DYESRHJHSA-N 449.276 0.015 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1813071597 VCOZXRPYGROFBR-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1813096995 PLKVFFFEWUAKMV-SGMGOOAPSA-N 436.818 0.366 50 20 ICGD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)COC1 1815360228 QREHRQZVPJSEGJ-CQSZACIVSA-N 429.307 0.475 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@]1(F)Cl)CC2)c1cccc(B(O)O)c1 1815361937 VDADVKIHSIHJMH-FMTVUPSXSA-N 437.689 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1 1822414589 IFESCHAREOMEMX-INIZCTEOSA-N 429.481 0.722 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050911 HDGWEPNFAJUSOU-DQLDELGASA-N 429.370 0.973 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057270 APWKVQYOGGEFIB-QJWGWKRISA-N 448.394 0.758 50 20 ICGD O=C(CC[C@@H]1CCOC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827317131 ACZLYXCITFSGRN-CJNGLKHVSA-N 443.334 0.865 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724722 AYPPCWRTLGQYFL-RDTXWAMCSA-N 432.304 0.334 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1830732488 ZCBGFGCECHWPKE-XYPHTWIQSA-N 442.862 0.960 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733017 ZMZFQSCGZXNIHB-GHTZIAJQSA-N 448.907 0.746 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1831192025 WKSKPAAXZVGMHD-HBUWYVDXSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831827733 JGRPQLAQTFFHLZ-LSDHHAIUSA-N 428.917 0.412 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833487485 NGJIVTBYNGKVLP-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1833826563 OWLZIHSUUJDLSY-DIFFPNOSSA-N 443.298 0.466 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834428236 DLXZPPBYECNRRY-QAPCUYQASA-N 443.342 0.972 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834898549 UZLYOZXUAKTYEV-ZDUSSCGKSA-N 427.347 0.633 50 20 ICGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)c1ccccn1 1835699936 SKFMOLOZNXRGDT-FUHWJXTLSA-N 441.326 0.323 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836799422 MQVNWIKWSFYTHP-FXAWDEMLSA-N 439.871 0.977 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1838128945 VUQLUNUXUDFMAI-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395508 XRYYGQWMJJHVBF-ZDUSSCGKSA-N 435.550 0.616 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838880862 OZGMLNBWXVHGDT-JLTOFOAXSA-N 442.896 0.374 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203817 XRIUNQHAUGBHJL-WMLDXEAASA-N 446.273 0.355 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839966444 DXQSCTMJFJGQAP-YOEHRIQHSA-N 434.331 0.143 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nc1 1840032707 HWUQTSRSXXSNME-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032901 NBYQLOZOTTWWBJ-MEBBXXQBSA-N 433.328 0.700 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840033620 LOQXDIAZJPBXDQ-FZKQIMNGSA-N 441.326 0.683 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840155441 CAJRVXINJXRTGG-ABSDTBQOSA-N 433.977 0.675 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189484 UEWVKJZGQJNCFU-SFHVURJKSA-N 442.303 0.532 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1CCCC13CN(C(=O)c1cccc(B(O)O)c1)C3)CC2 1845925554 HHWCPMGTLYRRPW-IBGZPJMESA-N 448.328 0.997 50 20 ICGD CNc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 9924124 DMSRNWDOPKNECF-MRXNPFEDSA-N 430.373 0.781 50 20 ICGD O=C(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1ccccc1 19178167 VPEANQRVUDRAQZ-UHFFFAOYSA-N 436.424 0.063 50 20 ICGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 28198917 REYLDNIWXQQAAP-UHFFFAOYSA-N 425.283 0.663 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 725872737 RCEBMOXPUGFZLF-UHFFFAOYSA-N 431.424 0.737 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)c2ccccc2c1=O 726182913 AWYVLSOFIQQALN-UHFFFAOYSA-N 427.461 0.887 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 726294043 PPYCYTOQPBDEOM-UHFFFAOYSA-N 443.279 0.719 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c2ccccc2c1=O 726523725 VFHDCSAQMGIVGM-LBPRGKRZSA-N 440.460 0.431 50 20 ICGD Nc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(Cl)n1 726765629 WJKABDZPNBUZKR-UHFFFAOYSA-N 439.881 0.413 50 20 ICGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 727230024 YRPCKBGEZDXUMY-OAHLLOKOSA-N 447.521 0.330 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 728203404 PUBVKLJRRPLRAW-MRXNPFEDSA-N 449.533 0.962 50 20 ICGD O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)Cc1cc[nH]n1 730092652 OJFYKTMFZIGOAO-UHFFFAOYSA-N 434.250 0.939 50 20 ICGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)C3CCC3)cc2)CC1 732462742 WKOQRIMYCTYEBI-UHFFFAOYSA-N 431.537 0.903 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C1CCN(c2ncccn2)CC1 740811970 LAWVEGCNOUUPJV-UHFFFAOYSA-N 446.489 0.659 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744976741 VJQJPOUDOWBKAH-UHFFFAOYSA-N 430.442 0.477 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 750938914 SVSKIBNVAKLTHV-UHFFFAOYSA-N 434.474 0.571 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1N1CCCC1=O 763892878 MJMNTVRXCGISGO-UHFFFAOYSA-N 428.449 0.421 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 764003136 ZMDHGNJRZBRXMW-NSHDSACASA-N 444.460 0.476 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1S(N)(=O)=O 764127558 XHZGGZXIZHUYLM-UHFFFAOYSA-N 426.838 0.401 50 20 ICGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)CC2CC2)c(OC)c1 764142861 LPVOOZCGWXOPQN-UHFFFAOYSA-N 431.449 0.843 50 20 ICGD CN(C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1)c1ccccc1 764297729 WVTINYZPJZCZFF-UHFFFAOYSA-N 434.456 0.944 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 764332150 NBPWAKOBLMDQIX-KRWDZBQOSA-N 442.476 0.022 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 764398023 BZFYWELFHXUFOX-INIZCTEOSA-N 435.525 0.354 50 20 ICGD Cc1cccn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc12 773690035 FQKBASTVRRVLPS-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 774008438 ISHSSIJESYXMKN-NSHDSACASA-N 429.824 0.869 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)(N2CCOCC2)C1 775159482 RARADTPOCHKWNN-UHFFFAOYSA-N 447.536 0.842 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc(C(F)(F)F)n1 778389551 ZTYHWEXKRWGFRG-CYBMUJFWSA-N 440.334 0.948 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H](CO)c1c(F)cccc1F 778590240 XRFUXBDMMSHHOO-GFCCVEGCSA-N 427.433 0.936 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 779548980 ZANUMKWWVHAYGD-LSDHHAIUSA-N 448.888 0.808 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 789939335 KYSFYYXZNHHWDB-HXUWFJFHSA-N 448.476 0.471 50 20 ICGD CO[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 791444722 JANOTRISBWYTKG-GOSISDBHSA-N 425.507 0.213 50 20 ICGD CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 794823924 MVKNIQFWDCVDTO-JTQLQIEISA-N 433.280 0.613 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)c1C 796999702 NRWACEXWAIJQPI-UHFFFAOYSA-N 444.267 0.588 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc1 797653753 JUWGDTGRQBREEQ-UHFFFAOYSA-N 445.461 0.045 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 799916066 GAHSAIGLPICQTB-UHFFFAOYSA-N 438.691 0.584 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 802432178 RTOOOXBPFRHBQR-JTQLQIEISA-N 440.881 0.139 50 20 ICGD CSSCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 803480876 VEAOVZAXDUARAL-GFCCVEGCSA-N 449.576 0.498 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815690954 ATCZBIMMIVTCPQ-AWEZNQCLSA-N 442.476 0.511 50 20 ICGD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751799 OOLJHZYXOFGMLV-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1Cl 914749580 GGLWRUUMNNCJSX-LBPRGKRZSA-N 436.877 0.802 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)cc1C 916295877 XVAJFKVSVNKUJS-UHFFFAOYSA-N 433.490 0.551 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3ccc(F)cc3)cc2S1(=O)=O 916746342 MMLZWLMBTFDSDV-UHFFFAOYSA-N 435.433 0.620 50 20 ICGD COC(=O)COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 917574257 IAYMSYADHHWXHL-UHFFFAOYSA-N 435.458 0.564 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cc1ccccc1NS(C)(=O)=O 1116297292 GKJDPHATAXSZLS-UHFFFAOYSA-N 433.486 0.842 50 20 ICGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc12 1318493962 HRBMRMJGAHOOAJ-UHFFFAOYSA-N 430.494 0.293 50 20 ICGD Cn1ccnc1[C@@H](O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1319906833 GLJUQWHKJNLFQN-HNNXBMFYSA-N 449.537 0.513 50 20 ICGD O=C(c1cnn2ccncc12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777988309 KATLZXRJLNLMEM-CZUORRHYSA-N 426.246 0.863 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778903207 UXYULPZSOVNCNI-FDSZKQNJSA-N 428.338 0.930 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1779076885 RQEMHJYNPFVARW-YLVFBTJISA-N 449.298 0.095 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCC1)C2 1779371176 NUVQGHHHCGCEBS-XMSQKQJNSA-N 427.505 0.923 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1781528720 BUPLDVFDDVMYNG-CPYOPQHUSA-N 442.346 0.369 50 20 ICGD C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782193304 JMACCNKLONNMGX-XMSQKQJNSA-N 427.505 0.616 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783349452 LXOCXBOTIVTSJW-SUMWQHHRSA-N 441.282 0.792 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1783667559 YVLXSDOITBJVGC-KRWDZBQOSA-N 427.325 0.690 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784803084 QOZRTRJOLSPEQR-AVRDEDQJSA-N 444.536 0.001 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785000505 RDTJOTVHPUUIRD-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21 1788610887 ZLOYYEMFOQVSMQ-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 1790129907 BCZYAJLMQGRMRY-MVWHLILJSA-N 429.832 0.927 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc(C(F)F)c1 1794269753 FMIPYPSEURKQHV-JLVBRIDZSA-N 445.231 0.216 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccccc1 1795123609 GFNRDWMAEFWLFJ-UPHUGPLXSA-N 437.500 0.521 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)cc1 1795851489 CCEGBTMOUOIPBS-JYYAWHABSA-N 428.938 0.871 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]nc3ncccc13)C2 1798440495 XRPDKDZORFJMKS-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443572 JLUKPMZJBXGWOH-LVQVYYBASA-N 438.488 0.799 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798496359 AKXXUIKEFAMKHF-FVCICTRLSA-N 433.896 0.558 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798728962 RHDGFKBKNVZKFB-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1 1805476829 PWPPFGAZLVSRGU-FPOVZHCZSA-N 430.273 0.790 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1805703480 RJAYQNQSYXCHPG-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncnc1 1805786555 GGCKPRIXLNKFGH-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807360015 GIXPKKCAJNFQQU-GCJKJVERSA-N 447.304 0.355 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360475 KPIIFDLXFLPPMA-WIYYLYMNSA-N 447.304 0.735 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363701 FKJIMYOESAECON-MEGFKASBSA-N 439.321 0.488 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808416575 BGHYLBQGSMDOEZ-ORKHFYMNSA-N 449.515 0.749 50 20 ICGD CN(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299006 NBEKVGIZQLVWND-OXJNMPFZSA-N 439.520 0.351 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810967828 MVEBRKOWFVHSEQ-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1 1813071494 QXCQHCZJWMQJRR-RXVVDRJESA-N 431.537 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCOC2)[C@H]1c1cccnc1 1813556127 MCSPAZGPVOBSLN-GPMSIDNRSA-N 438.488 0.436 50 20 ICGD C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350379 TWZNQCFWANDXPA-AWEZNQCLSA-N 431.348 0.968 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822605091 LVJOXHDEQPPHCB-WYFGTUCQSA-N 431.356 0.809 50 20 ICGD CC(C)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825319799 ODUZVKMZLNEKAP-LBPRGKRZSA-N 432.974 0.607 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n[nH]1 1830359213 WOVKFRUJPZSPIJ-IBGZPJMESA-N 426.901 0.947 50 20 ICGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)COC1 1830543746 BOVSZSMUEHEKFF-KSSFIOAISA-N 433.343 0.900 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830737910 KKDKDOABTQDHJD-YLJYHZDGSA-N 428.888 0.733 50 20 ICGD CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833490717 WKDFLQDVRHXGEV-FQEVSTJZSA-N 447.410 0.506 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834876392 AYMGESVGATXNIK-KRWDZBQOSA-N 432.356 0.481 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925970 FEJASYIIGUOAQW-QHCPKHFHSA-N 442.321 0.205 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)c1cnc(O)[nH]1 1835964332 LLRPFKNPYVTISR-ZDUSSCGKSA-N 432.294 0.991 50 20 ICGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1836732322 UAMWWPFLBWJRPX-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1 1837652016 WUZASHRPCZCJCZ-UHFFFAOYSA-N 439.372 0.815 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1F 1837712433 QIIGFVCGVATFTP-SFHVURJKSA-N 428.537 0.779 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1838518589 XAFAJOLKWQYUJT-YOEHRIQHSA-N 448.289 0.922 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839152212 RCOUYSWDRVTAHD-CABCVRRESA-N 427.354 0.306 50 20 ICGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198770 ATXINLPUSPIBIY-HIFRSBDPSA-N 436.303 0.833 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839455959 VAKVXPVHSYUQJK-BEFAXECRSA-N 432.851 0.943 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886091 IQPSNRODEIADHV-YOEHRIQHSA-N 434.331 0.143 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839964485 SRQDTYPFUBIBOP-CXAGYDPISA-N 427.299 0.720 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cnc1C 1840183571 MQNXCGJEDBGPEI-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1 1840185479 MWSXTVFEOYBLSK-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840190991 ZBJCHCSQGCBZGM-SGTLLEGYSA-N 431.320 0.775 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n(-c2ccccc2)n1 1843013753 IVVBUETXLBHHAT-UHFFFAOYSA-N 444.300 0.991 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)Cn1cncn1)C2 1843416218 MLTXEUJFRCTJJK-YJMCUSNWSA-N 426.481 0.252 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2)=NO1 1847763080 WAHIRVRGNIPCQH-PCCBWWKXSA-N 433.273 0.375 50 20 ICGD Cc1cc(C)nc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 22235752 RZLYNPZZHHWSHU-HNNXBMFYSA-N 441.535 0.318 50 20 ICGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 726611438 STICHCDFYYOQPR-GFCCVEGCSA-N 426.499 0.463 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1 729455748 XJOSITIIWRLKFW-UHFFFAOYSA-N 444.473 0.709 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 729499956 CDAHTRRDNSCAKP-INIZCTEOSA-N 435.481 0.947 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)n1 733652453 ZHAFAYVMHFHEQJ-UHFFFAOYSA-N 433.557 0.555 50 20 ICGD Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cn1 735470591 CSMGRBGLWLFWGB-UHFFFAOYSA-N 430.284 0.312 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1OC 735584771 YYXAPUUPKVJTKY-HNNXBMFYSA-N 430.465 0.967 50 20 ICGD NC(=O)CSCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 735647600 VFLKFINCEQOQHS-UHFFFAOYSA-N 425.470 0.424 50 20 ICGD CCO[C@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 744412839 UKEQRVRAUWGNFF-OAHLLOKOSA-N 441.492 0.618 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O 745692986 AUFHNQCKRXMPAF-ZUZCIYMTSA-N 443.884 0.565 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC(=O)OC(C)(C)C)nc2)CC1 745835766 BGVFGEBZVYRBSE-UHFFFAOYSA-N 442.542 0.376 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)Nc3ccccc3)cc2)CC1 748620002 NWVDGQMXPQHSFM-UHFFFAOYSA-N 446.533 0.888 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCC1 751212759 XSTULZYIKDPSCU-UHFFFAOYSA-N 448.501 0.954 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 756253626 VHZFDRPRLUCTOK-OAHLLOKOSA-N 437.522 0.052 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 756705628 LSBROZYAUSZWGS-LBPRGKRZSA-N 425.467 0.480 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NN=c3cc[nH]cc3Cl)cc2)CC1 757421653 JLEPPZNOMHFZBW-UHFFFAOYSA-N 437.909 0.767 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763175606 FIGFABUFOXYTCZ-FYHSLNKMSA-N 441.419 0.528 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 763527318 ICRNNURURCNCQO-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763864480 BQICQKZXWLIEAI-AWEZNQCLSA-N 447.451 0.702 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 764085000 XAAFKUACTLXOIM-BBRMVZONSA-N 432.477 0.986 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)n[nH]1 764108625 KXQYAZBCTFVPAN-UHFFFAOYSA-N 440.382 0.973 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)cc2)CCN1 764349985 WIQUSJLNJXZNIC-UHFFFAOYSA-N 431.836 0.382 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(-n2cccn2)c1 765737023 DKNDOJQCNPWIEW-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1OC 766308843 SSOOPJFGRURDQC-UHFFFAOYSA-N 443.865 0.845 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3cccnc3)CC2)cc1 766636488 OXFJNUZXMBMYHP-RMKNXTFCSA-N 443.529 0.557 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(F)cc2)cc1OC 769177031 BQUCRUJZRBJIJT-UHFFFAOYSA-N 441.437 0.348 50 20 ICGD O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)NNC(=O)c1cccs1 769666568 CDHJIRRILIJCEG-UHFFFAOYSA-N 446.397 0.928 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)nc21 770399770 IHRSIWPWEINQPU-GFCCVEGCSA-N 426.437 0.375 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)NC1CCCCC1 771816147 SKGISWXIJPLWQE-UHFFFAOYSA-N 440.522 0.993 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccc(C#N)cc2)s1 772632163 XBAMVNBIXGWKCT-UHFFFAOYSA-N 437.503 0.616 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1 773698158 ZLWYXFUGAWIKDV-CYBMUJFWSA-N 431.474 0.953 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 778531509 HBVHNVOKXLRCLZ-CYBMUJFWSA-N 438.506 0.903 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)n1 785990590 JQOUESJXJAEDLU-UHFFFAOYSA-N 426.477 0.734 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1 787542224 ICBIOGHVILJRII-SNVBAGLBSA-N 439.425 0.037 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 794327192 JDFDMZCNIBKPNM-UHFFFAOYSA-N 443.407 0.860 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1C 796990641 UXCWFMXGFQUUGW-UHFFFAOYSA-N 439.881 0.896 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)cn2)CC1 815570334 ZOYBALBMGVXEOL-UHFFFAOYSA-N 430.421 0.271 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 819727209 BTGACIKRVITHFU-GOSISDBHSA-N 443.522 0.378 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Cl 912988634 OKZGZYOUDHQGNC-LLVKDONJSA-N 440.865 0.390 50 20 ICGD C[C@@H]1CCCN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 916452253 FMRQAJCFMLKEJO-MRXNPFEDSA-N 439.586 0.376 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN4CCCC[C@@H]34)nc2)CC1 916639718 XPAFZEDELSDIOL-IRXDYDNUSA-N 437.570 0.271 50 20 ICGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918100320 YAOKUWWUVREHNG-AWEZNQCLSA-N 437.522 0.426 50 20 ICGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCCCC1 918120575 PIDYAXJKZBHOTQ-MRXNPFEDSA-N 439.586 0.518 50 20 ICGD COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 920091144 WZLZFVQBMDGQEF-KBPBESRZSA-N 440.928 0.973 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1 1320980253 AUUDVVCRGXKEIE-UHFFFAOYSA-N 429.462 0.281 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778873875 CVFUPWQCESLQBI-YSSFQJQWSA-N 437.880 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1779028250 ALELKWQXOULQPR-BFUOFWGJSA-N 437.447 0.564 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CSC3CCCC3)CCO2)C1 1779029694 XAYPZKGKABYZBG-OAQYLSRUSA-N 447.561 0.804 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779299700 XXEQMKFOWGMGFE-HRAATJIYSA-N 448.596 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779620150 OBHRRUZZRIMYDF-GOSISDBHSA-N 428.440 0.095 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781229790 JMBIRHGLEXUJBB-HOTGVXAUSA-N 425.382 0.537 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c12 1782517761 QQAWUJFSMLGWHB-QHCPKHFHSA-N 448.288 0.080 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)(C1)C2 1783445144 WASIILXUAZPPQB-YZWQVAQESA-N 433.274 0.850 50 20 ICGD C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784482047 CMAYOZGFKAMODU-WVIPKZCGSA-N 443.504 0.138 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccc4[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786985021 KSLYDWPIXCMNPS-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1ON=C(c2ccccc2)O1 1788516019 GRCGQWQVYBOPAS-YTKSKTJISA-N 437.880 0.301 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21)N1CCN(C)CC1 1789797489 IOCQPRLIQUGEPD-LLYLOPHFSA-N 449.423 0.838 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1789861662 HPBIAGXDQZODIH-HNKHHVNMSA-N 435.912 0.942 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1791542100 DWFLLQGOBYVULP-MHEUCROKSA-N 446.335 0.240 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1792484287 CPWKAFGZDHNCBT-ZPLBFSLTSA-N 428.327 0.465 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794035218 LOJNSSWVMLXPTK-CCWDJLKJSA-N 436.585 0.576 50 20 ICGD Cc1scc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C 1794954514 IENBLINGSXMSMU-HGKCTWBKSA-N 428.319 0.562 50 20 ICGD O=C(CSc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795270800 JDGXIZCEYWLKKO-UPHUGPLXSA-N 440.330 0.362 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Cl)cnc2s1 1796364749 LGPQSVYPOLLKMZ-LFSVMHDDSA-N 428.873 0.802 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)COC1)C2 1798521348 CJRUMRWXCFQHRD-ZSBFGKGUSA-N 447.444 0.760 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104953 MHEPGGJPCQNSEU-OXIQGZBJSA-N 433.983 0.844 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)NCc1ccco1)C2 1802336977 CNHAWEGTNWDBRP-DFYXXKDGSA-N 445.520 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1802338844 URLKYXOVKCAJJA-AVEIZBFRSA-N 433.553 0.399 50 20 ICGD CNCCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807137994 VVPUXORNKCLSNR-JXFKEZNVSA-N 439.520 0.399 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368585 VQDOYTVBEXBWOX-UWJYYQICSA-N 446.272 0.495 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1ccnn1 1809974659 ZAEZVYHEWKBXQO-MRXNPFEDSA-N 425.298 0.064 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813177259 MMYDYPGKXMFJPQ-YEWDVWPNSA-N 449.305 0.796 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820790271 RYTYCGJOAVESOL-NUEKZKHPSA-N 426.949 0.637 50 20 ICGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1)C(=O)C(=O)O 1821716112 YWDHEWGNWXJMQP-JOYOIKCWSA-N 448.249 0.635 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822440348 VNDCUSKTACRPRQ-VHSXEESVSA-N 425.795 0.680 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825636083 QZVUBYROUVCMDM-YUMQZZPRSA-N 444.311 0.390 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825998006 BQTDPEQJYGHRGT-OLZOCXBDSA-N 437.714 0.303 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C1(O)CCC1 1826080663 BJUIERAPQMXRNU-STQMWFEESA-N 437.566 0.979 50 20 ICGD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n(C)n1 1826080694 UMSRSYZIADZUAW-NSHDSACASA-N 449.537 0.484 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn[nH]c2)CC1 1827796938 ALZZTSJCLOFUJJ-SFHVURJKSA-N 425.493 0.955 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829057935 MOIFAJCGDZDUFM-IEBWSBKVSA-N 447.584 0.907 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830443471 HGUXIGHTBHWHTI-XERREHJYSA-N 440.924 0.855 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831643664 GDQUMNDJGRXITP-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831693178 RGSOFWFZSDMDBX-FQEVSTJZSA-N 443.617 0.457 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033097 MRBSJSNZVGSTQI-IFXJQAMLSA-N 443.953 0.952 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833191032 VSBIGABGZVRPTB-XLIONFOSSA-N 425.913 0.724 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1)[C@H](O)CCl 1833313702 OJKUPYVEPWZEAU-OAHLLOKOSA-N 427.889 0.708 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 1833623480 HPIGIOFZTIZDDB-IBGZPJMESA-N 436.601 0.025 50 20 ICGD Cc1ccoc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835141078 CACHUOHLCHBXBF-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1836199826 FHPHIUPNERFVLZ-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1836297885 NAZKMYZWRXHMHC-BDJLRTHQSA-N 430.303 0.214 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836394729 FDINGSIRFUQBQT-KRWDZBQOSA-N 438.956 0.891 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151944 JATNRUAPKIYBIP-BVGQSLNGSA-N 438.352 0.546 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198467 DXPZNNRODDDLMV-WFGGJUAMSA-N 425.295 0.540 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198742 ARQHYZPGTOBJBJ-FZMZJTMJSA-N 441.323 0.150 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839686513 SNSOBWHJYDWOLQ-GLJUWKHASA-N 436.889 0.258 50 20 ICGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)COC1 1839775277 TTWYXKXXWUEISG-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839961883 MCBRGXBLYSTBOM-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840152354 GFRREJMAPYBRRZ-XOBRGWDASA-N 436.896 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnn(C)c2C(F)(F)F)C1 1842162520 LDZKZZVSQRZRAQ-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1 1842755905 MHWLBZPSCMJSIU-UHFFFAOYSA-N 436.273 0.545 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CC(F)(F)C(=O)O)C1 1843354660 YFFQYKACMDHZDE-SSDVNMTOSA-N 425.392 0.434 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)NC1CC1 9889412 ALGYPRBPAZTGFJ-UHFFFAOYSA-N 444.513 0.667 50 20 ICGD CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1N1CCOCC1 26612565 WBKWWFSYOCCHFY-UHFFFAOYSA-N 435.466 0.596 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 104741144 GMHKUKXOAKERPS-NSHDSACASA-N 449.880 0.444 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)c(C(=O)OC)s1 726520862 QRBCZIGFRDSTBA-UHFFFAOYSA-N 428.444 0.959 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C)c(S(C)(=O)=O)c2)n1 728729826 UXSFNXOECITUAE-UHFFFAOYSA-N 425.488 0.710 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cn1 729693334 TUBTZMSVWMYOTM-UHFFFAOYSA-N 429.549 0.875 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c(OC)c1 729964226 ZAQWRGQFIGXZTQ-UHFFFAOYSA-N 438.414 0.797 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCCN1C(=O)c2ccccc2C1=O 732244349 DWQXUNONSAJKLF-UHFFFAOYSA-N 427.417 0.416 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 733359709 OIIVSOZAGOJDGL-UHFFFAOYSA-N 435.344 0.849 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC 740851677 QITPQVFMLBPOJO-MRXNPFEDSA-N 434.493 0.761 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CN(Cc2ccccc2)CCO1 741280395 YJGACPPVQUFIEV-YJBOKZPZSA-N 429.477 0.629 50 20 ICGD COC(=O)c1ccc(-c2nnn(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 741854778 DCHNEDVCGLOSLC-UHFFFAOYSA-N 440.416 0.605 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742239761 DLPAVRDOFPAQPO-KRWDZBQOSA-N 437.456 0.444 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc(C#N)cc1 742452028 OMDBIMOKJKQQKY-UHFFFAOYSA-N 443.441 0.178 50 20 ICGD CC(C)(CCC(=O)NNC(=O)Cc1ccncc1)C(=O)NNC(=O)Cc1ccncc1 749415759 CUGSPDNDFFJALW-UHFFFAOYSA-N 426.477 0.363 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3nc(Br)cn4ccnc34)cnc2n(C)c1=O 750248859 YIFMMEMGUPTBHA-UHFFFAOYSA-N 445.237 0.194 50 20 ICGD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 751283503 WWKNBWIMTNIZFB-VIFPVBQESA-N 430.533 0.746 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(OC)c1 752166544 HXEWQRXFFQPXGY-LLVKDONJSA-N 443.503 0.544 50 20 ICGD O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NNC(=O)c1cnn(-c2ccccc2)c1 752172164 BYEUHLGQDGGPTO-OAHLLOKOSA-N 449.514 0.713 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC)OCO2 753840108 GSYUBJPDNMOILL-UHFFFAOYSA-N 445.384 0.375 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755846529 DNQDXHXVKYYTNI-UHFFFAOYSA-N 426.433 0.426 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 756836658 CIFJUHWOAAOJLM-HUUCEWRRSA-N 432.485 0.185 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c1 757781304 RBRWMMISRBDOIA-UHFFFAOYSA-N 438.462 0.377 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 758908034 MXQMSSHOIMQPRO-IBGZPJMESA-N 430.530 0.700 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@@]12CCCO2 759212037 VDZNCRIOTZWNKZ-IYOUNJFTSA-N 425.511 0.650 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(C(=O)O)c1F 763278911 RZEUSHMFBSDTSQ-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD CN1CCN(CCOc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3)cc2)CC1 763420629 UQHPBUIUWBHXJM-UHFFFAOYSA-N 425.489 0.713 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n1 763599259 DCWDFXDGGFFCES-UHFFFAOYSA-N 430.509 0.907 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1SC(F)(F)F 764002910 WDGNWFQZZVLPMI-MRVPVSSYSA-N 425.410 0.819 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 764004674 LCQVJAJSPSXHGH-UHFFFAOYSA-N 432.238 0.972 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 764167178 VCHKXAPMHJQZGV-UHFFFAOYSA-N 443.460 0.269 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)n(C)c2n(C)c1=O 764330255 YZAZZQYGQGFKFP-UHFFFAOYSA-N 446.414 0.503 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cn1 764402121 YAVPGPMNDJWQSU-UHFFFAOYSA-N 437.441 0.723 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cn1 764404508 KOSDHFCWGKOEJD-UHFFFAOYSA-N 449.489 0.765 50 20 ICGD COc1ccccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117473 FQPZZZFXQJPNAW-UHFFFAOYSA-N 432.502 0.463 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 765570620 CSJQBVHXSMDRBF-RWQQGDIJSA-N 437.456 0.563 50 20 ICGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739576 YPOXHBZRPVODSC-MRXNPFEDSA-N 440.548 0.821 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1CSCC1=O 765755907 UJHNOFDHJMRCKU-UHFFFAOYSA-N 425.942 0.138 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc4cc(C)ccn4c3=O)CC2)cc1 766650523 VHJOTAXXKDHFAO-UHFFFAOYSA-N 448.527 0.890 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(C)CC1 766664784 UBRRSDXGEXCWRV-KRWDZBQOSA-N 436.988 0.241 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2nnnc2CNC(=O)OC(C)(C)C)cc1OC 769857384 LHYPWKMCBVLVDL-UHFFFAOYSA-N 435.441 0.176 50 20 ICGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 770771645 LLEDOZGJXJRKMV-MRVPVSSYSA-N 436.259 0.417 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 771993247 KMMUYEYVMRMLFL-JTQLQIEISA-N 431.449 0.650 50 20 ICGD O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 773656511 MTCMWYIKFPXOMD-UHFFFAOYSA-N 443.416 0.914 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNc2nccc(OC)n2)c(OC)c1 773730780 KRXAHEYKHXCUGO-UHFFFAOYSA-N 427.421 0.829 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 782897464 PLODSFIQZMNKTR-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1cc(C)ccn1 783929022 KSMSHMNOJQBVLE-UHFFFAOYSA-N 449.489 0.501 50 20 ICGD COCCn1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 784278767 MDHVXGKFRBXIEK-UHFFFAOYSA-N 435.506 0.779 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc(N2CCC2=O)c1 790952287 QGUXGBXRVKKISF-UHFFFAOYSA-N 434.412 0.714 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CO)c(Br)cc1Br 792265484 BXLVLGAYGPICFS-UHFFFAOYSA-N 425.033 0.298 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 808011388 VMNLMSADCLAFFG-LLVKDONJSA-N 429.499 0.081 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810386091 LVVFMCFMYGDFTE-LBPRGKRZSA-N 437.391 0.831 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810387222 LMGVUFLHVQHMQY-ZDUSSCGKSA-N 427.417 0.883 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc(C(=O)OC)c1 815568562 NAXAWTLFASSPMC-KRWDZBQOSA-N 427.413 0.709 50 20 ICGD O=C(CNc1ccccc1)NNC(=O)CNS(=O)(=O)c1cccc(Br)c1 823327621 WIKYQDARHNABBC-UHFFFAOYSA-N 441.307 0.987 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cc(Br)cn2)cc1 915142160 WUKZSRHDWIMYKY-NSHDSACASA-N 427.280 0.831 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2ccnc(N3CCOCC3)c2)nc1 916388664 CDSUSSFZXQUHLA-UHFFFAOYSA-N 449.537 0.826 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(C(C)=O)CC2)c1 1324413666 KQMWGTDXWHGLQR-UHFFFAOYSA-N 439.538 0.672 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 1515041820 FSFAYOIUTJUYRJ-QGZVFWFLSA-N 434.474 0.276 50 20 ICGD Cc1ccoc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778146834 GXBAVJAOJLFFFT-XMSQKQJNSA-N 426.278 0.709 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)nc1 1779635385 YSIJNCUDKHJVIC-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1781995585 QJCQLVKCWYOTKK-PBFPGSCMSA-N 433.347 0.555 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212081 GXKCYUSCTQIRSR-IIBYNOLFSA-N 432.525 0.286 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785978411 MHKPOTOFVMLBFU-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCSC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982216 ROCYDDVVNAYYTQ-NBMJBFSESA-N 432.351 0.103 50 20 ICGD COc1c(Cl)ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789338877 GWFXYGBJLDHPDH-VTPLQMEGSA-N 432.304 0.937 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1c(F)cccc1F 1789442126 CDPUABFZAZCAQW-QOKNQOGYSA-N 444.243 0.552 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)c(F)c1 1790067129 PRLKYVZFPVIDEJ-KNBMTAEXSA-N 442.252 0.118 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1791255353 NWBDSBMIKWPWIM-YFKTTZPYSA-N 430.807 0.325 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1792867792 HLULTPPREFZEHV-JFILPPLUSA-N 436.310 0.964 50 20 ICGD Cc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1795246007 NXITZEMQPDJQCU-UPHUGPLXSA-N 437.500 0.439 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n1 1796188284 LSLNYYATKLJZEQ-BCDXTJNWSA-N 436.277 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1796444346 MMAUDLPJUNYEQP-YGADERNFSA-N 431.493 0.137 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)cnc1Cl 1798046127 JUTNCBRPNUUCLJ-FVCICTRLSA-N 447.659 0.071 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800207391 PSYUSLRVJXWHRB-RERORNDZSA-N 433.292 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2 1801013297 LMWHLMHBKDPONJ-OPMZPASUSA-N 432.521 0.166 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804186663 IXIOUPGYVMMVQF-KXBFYZLASA-N 447.568 0.491 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2[C@H]3SC=C[C@H]32)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372570 GIZWIMBLABKQMQ-RQUKQETFSA-N 449.341 0.956 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807665431 QEWFRBMLMYQUOC-DENIHFKCSA-N 447.304 0.286 50 20 ICGD O=C(CN(CCO)CCO)N1CCC2(CCCN(C(=O)CCBr)C2)CC1 1809069697 FIHUJGCLWQFTGK-UHFFFAOYSA-N 434.375 0.289 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H](F)Br)CC2)C1 1809969314 CIDOIQXKBQZXCI-OAHLLOKOSA-N 441.106 0.902 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)no1 1810978212 MSGSCIJRJMSMQH-DNVCBOLYSA-N 436.233 0.088 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813271452 GZPCDUVVKGKDCS-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336004 WMNZZPNIOMLQJY-IUODEOHRSA-N 427.291 0.087 50 20 ICGD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)COC1 1817474299 DANCWQMTFVNUSZ-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD CCc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n[nH]1 1817475375 PBFCCMJJXTUFTG-SFHVURJKSA-N 436.281 0.995 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478886 CRKQZSSRADGPOZ-SJORKVTESA-N 446.338 0.509 50 20 ICGD CC[C@H](NC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795266 LLNSDCMBINLOMF-MFKMUULPSA-N 431.522 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cnccn1)CC2 1826083878 UFOJYVPPUGCKNM-GFCCVEGCSA-N 431.522 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)ccn1C)CC2 1826088429 XSOSRDUCIBNVBS-GFCCVEGCSA-N 446.533 0.441 50 20 ICGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358085 PKHHAZUPSVXZDO-HXUWFJFHSA-N 442.944 0.865 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733293 HZUMPKOAJHICQO-MAUKXSAKSA-N 445.831 0.404 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831651962 VCMHROYTDGSKET-YCLSTDHLSA-N 427.929 0.685 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1831937399 FDXCAINNCRXFKZ-AZUAARDMSA-N 441.337 0.126 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833199201 LEGAHZATVDVEMW-XLIONFOSSA-N 438.601 0.827 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187284 WWNJHCDLKCLKSH-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836622090 TUIRYBNWQRUGPF-UHFFFAOYSA-N 442.944 0.802 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cnn2c1 1836947713 PGQZZHVCROPJKK-KDOFPFPSSA-N 425.848 0.642 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837549521 YFXCDUYHSDAPTG-IFXJQAMLSA-N 442.900 0.187 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837980485 CDIGUMVBYFYGLL-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1838046808 QIWWPMAEVFPDGF-UGSOOPFHSA-N 443.342 0.836 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839147222 KHKXNVZLOZTYTG-UWVAXJGDSA-N 430.977 0.096 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839199820 VKVKRGBOKSMHPF-DAYGRLMNSA-N 445.285 0.867 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840031249 JRGOXHVYQHRRRD-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840031637 XWQOPJMQUAMINQ-PXAZEXFGSA-N 445.314 0.594 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840154164 NQJKYXJPUPMTPA-YVEFUNNKSA-N 430.845 0.247 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840746300 YOMKNLNWNWWYLG-DYESRHJHSA-N 448.907 0.746 50 20 ICGD CCn1c(-n2nc(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)cc2C)cccc1=O 1841350827 ZLCAGKYLSUCSCL-INIZCTEOSA-N 447.923 0.779 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010503 WDRITIRPZUNFGZ-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014052 SLQRKZUTCIXYEM-UHFFFAOYSA-N 447.300 0.230 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(=O)c3ccccc3o1)C2 1844263340 UJYKQVXKUXSRKW-UHFFFAOYSA-N 447.451 0.922 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1844692889 VKTQQFRAHJUQAX-UHFFFAOYSA-N 429.389 0.213 50 20 ICGD C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)CNC(=O)c1ccco1 725741646 SYEBYSCCGOYAPQ-MRVPVSSYSA-N 443.279 0.799 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccncc1 725869759 SYTWXPZKRLALQA-HNNXBMFYSA-N 438.893 0.729 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)c1 727609155 HUNZDQTUBRYQHA-NSHDSACASA-N 439.519 0.478 50 20 ICGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 728845857 OANVCJYAAOUZQT-UHFFFAOYSA-N 444.492 0.902 50 20 ICGD O=C(CCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NCc1ccccc1 728961171 AVZQUZPYJQTGNF-UHFFFAOYSA-N 425.493 0.730 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1cnn(-c2ccccc2)c1 733170260 VTOGIFIQONGVRZ-UHFFFAOYSA-N 430.424 0.905 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 734119861 JAIRHLLHODGLQH-INIZCTEOSA-N 449.533 0.772 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)CC2=O)cc1 744666656 HBVJVSYXARUAHA-INIZCTEOSA-N 436.424 0.924 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 745916308 BUBSSNNFEPEWRE-WCQYABFASA-N 431.409 0.232 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 753020388 QZVSFGWLBLWAAU-ZMOMAAQPSA-N 447.492 0.904 50 20 ICGD COc1cccc(-c2noc(SCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c1 755140487 DYNOYHCLZAFBQX-LLVKDONJSA-N 441.491 0.355 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cccnc3)c2)CC1 756359709 QLFDABXPIBBZHB-UHFFFAOYSA-N 432.506 0.874 50 20 ICGD CC(C)OCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758718419 QWWMDGXYEUCZPR-UHFFFAOYSA-N 442.538 0.396 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 760977883 SFBKFFFWCKGDPB-UONOGXRCSA-N 441.554 0.755 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763442453 RMBWCFBUACRBTA-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 763462605 QDNDKXCUOJJAKZ-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccncc1 763465430 VYJOYVRTFKXHSZ-UHFFFAOYSA-N 433.490 0.819 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763647727 PNCQSEWGWHEYCS-UHFFFAOYSA-N 428.401 0.215 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763745989 NBJSRVRTXWRSEG-UHFFFAOYSA-N 439.472 0.594 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763872759 OQTRIINFXUSSIM-SECBINFHSA-N 442.400 0.166 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 763940470 HPGBPWYJAVTNFV-UHFFFAOYSA-N 443.283 0.775 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)c1O 764131102 GLSDALFSFACNGG-UHFFFAOYSA-N 427.461 0.552 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2)CCN1 764404344 ISVOOHZXQXUMRG-UHFFFAOYSA-N 443.485 0.207 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 764432928 KHGINEQOTPVQGJ-HNNXBMFYSA-N 434.836 0.051 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768504569 MWNLPPSNIXSODK-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 771214132 GURYDVCQRSPZHW-MRXNPFEDSA-N 433.424 0.910 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 772071734 PBCXCPCGAVBGLJ-GFCCVEGCSA-N 438.485 0.953 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2c(Cl)cccc2Cl)cn1 773692231 ZZWSPMDPECEKFS-UHFFFAOYSA-N 442.307 0.950 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNc1ncc(F)cn1 775445870 SGWGLLFMJNACRB-UHFFFAOYSA-N 426.430 0.794 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 780970865 GGCSSRTUHSJPSF-UHFFFAOYSA-N 428.511 0.590 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(C(F)(F)F)c1 783428830 XWXYPTSBXINJNZ-HNNXBMFYSA-N 436.412 0.800 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 784003298 DOWGODPTODOHGI-UHFFFAOYSA-N 447.448 0.530 50 20 ICGD CC(=NNC(=O)N1CCN(C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 790173505 HUFSRZXNPSRDKA-UHFFFAOYSA-N 431.540 0.093 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 797368523 CGHNVHKESUKACZ-UHFFFAOYSA-N 441.400 0.144 50 20 ICGD O=C(NCCS(=O)(=O)CCc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 800067565 VDYBTLNYLHBNLI-SFHVURJKSA-N 433.486 0.814 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Nc1ccc(OC(F)F)cc1 802045572 SDOTVPYOHCTOCY-CMPLNLGQSA-N 446.432 0.476 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNc2nc3ccccn3n2)(S(C)(=O)=O)CC1 803186247 JOQWMTPYAOZHMS-UHFFFAOYSA-N 438.510 0.987 50 20 ICGD CN(CC(=O)NNc1ccc(-n2ccnc2)nn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 804957858 CTAGWJNLQCNEOF-UHFFFAOYSA-N 432.422 0.334 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2CNC3=O)cc1 806975230 RCDONXRRCREYCS-LBPRGKRZSA-N 426.429 0.882 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976473 QOZBXVXLDJQNLV-QWRGUYRKSA-N 428.367 0.122 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1cccc(F)n1 807392661 VHHGJOYTXFUFBR-UHFFFAOYSA-N 430.440 0.699 50 20 ICGD O=C(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 810067171 RFAOHEZOCKLWOM-NSHDSACASA-N 431.371 0.746 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1I 814760275 IAEHBVZHXSXZJP-UHFFFAOYSA-N 438.189 0.075 50 20 ICGD Cc1ncc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 815276265 HFZAFCCVLXJGPU-UHFFFAOYSA-N 426.838 0.309 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1c(F)cccc1Br 815691473 REMVIWIAWPAPAL-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(C(=O)NCC(F)(F)F)cc1F 815780070 HWTYMGZVQZNSDH-GFCCVEGCSA-N 434.346 0.691 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1OC 816828202 WBBWJYYHVYKUQK-CQSZACIVSA-N 428.511 0.551 50 20 ICGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 856530514 IHQDVZVZJDURLL-OAQYLSRUSA-N 430.509 0.067 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 912860972 QRLIUBJPFDNEIK-CYBMUJFWSA-N 437.449 0.922 50 20 ICGD COc1ccc(CC(=O)NNC(=O)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 914845215 WSVZXXGDMGOSJK-UHFFFAOYSA-N 425.507 0.596 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 915787677 HYYXBLOBGBIVOE-SNVBAGLBSA-N 431.392 0.997 50 20 ICGD C[C@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916511262 OCTUWESROHHWQQ-CQSZACIVSA-N 436.490 0.876 50 20 ICGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 918109289 ZKSJWOKKCRYTDI-GOSISDBHSA-N 437.460 0.748 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 920862281 WGNIAXWXFLMCNQ-VIFPVBQESA-N 427.255 0.801 50 20 ICGD CNC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1320148731 TZDUCOYFPPOUNJ-UHFFFAOYSA-N 425.511 0.186 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778030591 MHLSYPWKUWNQRV-ATNYBXOESA-N 436.864 0.530 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778823512 RDOVSFCDISUJDF-AUOONRHXSA-N 428.327 0.682 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(F)ccc3F)CCO2)C1 1779032677 QQXOEVAVZJRBJR-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD CC(C)n1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779750411 DWKSASIIPOVVOH-XMSQKQJNSA-N 448.568 0.965 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1N(C)C 1781125174 IUAKSVLVYVEADL-OXQOHEQNSA-N 425.913 0.804 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1O 1781516688 INWIOLHSGRXACF-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782550934 JIVSGINPMJZISE-MBOZVWFJSA-N 426.945 0.693 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782692150 JBEXPQMVZFFEOV-ZHRRBRCNSA-N 446.552 0.107 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(F)(F)C3)[C@H]2C1 1783457820 ZQEWSQDGGQVIAY-UGUYLWEFSA-N 430.496 0.775 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1783740902 WGMBAIRXLDRLLV-QHCPKHFHSA-N 436.273 0.001 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)c2n1 1784090780 MTVUHBWFDVTNFD-LLLHUVSDSA-N 435.912 0.539 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3)C[C@@H]21 1787508262 UEOGTFPHIVOBJK-UKZVOZDVSA-N 447.561 0.996 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 1787508979 VRMYYAHKLPRNGM-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1788654651 QOKBWRGIJDXDRK-OAHLLOKOSA-N 437.305 0.981 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1)N1CCN(C)CC1 1791060279 AHLJSXRRPMKYQJ-XAJHFOFHSA-N 445.402 0.385 50 20 ICGD O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791558158 YRLXKFHPNGYEKY-GMOBBJLQSA-N 436.307 0.567 50 20 ICGD Cc1ccc(C)c(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1793814473 FDSQNEFIQXYKIV-FEJSZKPUSA-N 446.548 0.645 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]cc1C 1796557587 QJAMXQMHMCFFFX-FJABVQHVSA-N 426.477 0.660 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(CO)[nH]c2c1 1797389264 JFGXTLHCYJGQRH-MUJYYYPQSA-N 442.520 0.680 50 20 ICGD CCc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797750554 KISYTSFNRABEKU-CCWDJLKJSA-N 438.488 0.160 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1800759647 ZCNSSSMHLPMYLE-ARUSPNSKSA-N 426.315 0.650 50 20 ICGD COc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010829 XSYWSUJPLQSEGF-FEJSZKPUSA-N 446.548 0.590 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)n1cnnn1 1803085322 ATLXTGNKCOWXSH-STEFENFFSA-N 427.469 0.006 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1804654390 QJKUKVPGZUETIV-AVRDEDQJSA-N 439.520 0.493 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C(=O)C2CC2)[C@@H]1c1cccnc1 1810294018 HMVWSLKFXHZJEN-CRAIPNDOSA-N 436.472 0.379 50 20 ICGD COCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299450 QOIVNNICZBESNY-BEFAXECRSA-N 426.477 0.436 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811189365 VJYXQXCHGIGBBB-JKIFEVAISA-N 446.895 0.544 50 20 ICGD CCc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354733 BYOKAZYVRDODAK-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(O)n1)CC2)c1cccc(B(O)O)c1 1815355466 SHIMSKDFXWOHTD-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCBr)n[nH]1 1816782395 NFUQZKJFKXUELV-PWSUYJOCSA-N 429.319 0.780 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CC(F)(F)C(=O)O)sc2C1 1817095722 KVQBSILJRKNYBO-VIFPVBQESA-N 447.464 0.538 50 20 ICGD O=C(O)CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822424973 MPGDPMBISMXAHX-HNNXBMFYSA-N 446.294 0.213 50 20 ICGD CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823003624 MZTUHCNBUSZJDG-WKEGUHRASA-N 428.305 0.790 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824592763 XVRROXCMJAAMQI-KBXCAEBGSA-N 444.536 0.430 50 20 ICGD Cc1ccn(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080767 XJCJYVDQUIJAQS-ZDUSSCGKSA-N 433.538 0.633 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830724003 BQMZOUCCTMZOHG-KSSFIOAISA-N 432.304 0.713 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733986 XNEGPTWHINMBFM-SCLBCKFNSA-N 434.823 0.340 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738141 MVQQQWPUQVEGKU-KDOFPFPSSA-N 436.814 0.774 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831072819 OYCTUBAAZXECQI-UTKZUKDTSA-N 429.370 0.940 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1833263772 SCTPHFOGNMADLJ-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312340 LYHNXMSMWXLXKD-PBHICJAKSA-N 438.960 0.448 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nn1 1834823516 ZERDNQOUUFYHIS-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)O1 1835465149 OGWRCRHZFJBBLK-IIBYNOLFSA-N 443.353 0.119 50 20 ICGD COC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737040 IQNWULAIOKQCJM-HNNXBMFYSA-N 446.552 0.153 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1 1836197383 ZFRZZAQIVSHYBB-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1836227267 DUXPZOJTIXVFRP-PXAZEXFGSA-N 435.308 0.295 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnsn3)CC2)CC1 1837294893 GLNDCFWIFHOESU-UHFFFAOYSA-N 444.322 0.144 50 20 ICGD C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921059 WPVUJDMJBIGJGW-UHFFFAOYSA-N 426.322 0.782 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839153842 TUDVWFPYYCGNMH-DLBZAZTESA-N 433.292 0.076 50 20 ICGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200767 MOTLOCJEBDXZEM-CJNGLKHVSA-N 436.253 0.925 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839962892 UQYOPHHTBKSVJU-VKJFTORMSA-N 432.359 0.711 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970116 FSTRFAUMYXKGPB-QRWLVFNGSA-N 444.887 0.915 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840030076 ZNLDGNGRPWKXHU-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840031267 KQDQZMFGXOIWGT-GUYCJALGSA-N 429.315 0.582 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1840036268 IKZYHLUGNMSXQX-JJRVBVJISA-N 429.315 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840152739 RRDXGHPTJUOHQV-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840152918 YQSPWDKWGSLWDM-IFXJQAMLSA-N 438.868 0.547 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840156013 HCCJEDIQZZTVGL-SYNHAJSKSA-N 441.912 0.559 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187768 VQHIJRWQOICAOX-LRDDRELGSA-N 437.349 0.273 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567184 FQGMQTQWOIFPMC-YJBOKZPZSA-N 434.375 0.957 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841299728 GUJWMURZLFPNPO-NWDGAFQWSA-N 434.331 0.859 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cocn2)C1)NC(=O)NCc1ccccc1 1842546119 YLSNLYLUJXVPIC-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011525 MDLBWQRZSLRDAP-SFHVURJKSA-N 435.289 0.447 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843014038 QQHBMDJZUKVJEV-UHFFFAOYSA-N 435.289 0.385 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081149 GVUPCWUMKKQUSG-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844668885 KQEFPVNTYGWCAT-UHFFFAOYSA-N 447.260 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCNC(=O)OC(C)(C)C)C2 1846386518 VJOBQYHNZLVIOC-UHFFFAOYSA-N 425.530 0.478 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1847071516 VDKKVEUECFBKLE-MRXNPFEDSA-N 449.552 0.479 50 20 ICGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1=O 9945469 VEOQNVPUZUHOBU-GOSISDBHSA-N 440.840 0.373 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 726084476 RRHIXRXQTCZFMT-MRXNPFEDSA-N 433.440 0.552 50 20 ICGD Cc1ccc([C@@H](CNC(=O)NNC(=O)CNC(=O)c2cccs2)N2CCOCC2)o1 726089789 XRYJJIFYEIZKQZ-CQSZACIVSA-N 435.506 0.783 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)NC(=O)C1CCCC1 727098592 DMOUJJANICHZOT-SNVBAGLBSA-N 430.914 0.833 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3cccc(F)c3)cc2)CC1 728213099 FKYPOANWQLYCBU-UHFFFAOYSA-N 449.508 0.635 50 20 ICGD O=C(NNC(=O)c1occc1CN1C(=O)Cc2ccccc21)N[C@H]1CCS(=O)(=O)C1 728517788 LBFOFECQAKAQPN-AWEZNQCLSA-N 432.458 0.500 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2-n2cnnn2)n1 728721522 ADPIKIIWVCEXOM-UHFFFAOYSA-N 435.853 0.628 50 20 ICGD C=CCOCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 729516566 ZQIXKBGAQYQVNG-HNNXBMFYSA-N 441.506 0.303 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 732576094 OKWAKVHWTSZHOD-CQSZACIVSA-N 445.501 0.412 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NNC(=O)COCc1ccccc1 738449963 HYUPADMBKLUCPA-UHFFFAOYSA-N 448.505 0.480 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc(C#N)n1C 741233369 MGKUXVPWXRLVSO-LZYBPNLTSA-N 441.517 0.815 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744517814 YRCJRUOXOPVMHG-ZDUSSCGKSA-N 434.408 0.856 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)Cc1cn2ccccc2n1 746554329 YVUVBPNMLZUXJU-UHFFFAOYSA-N 426.824 0.976 50 20 ICGD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 751291051 RCBXZEISJOAROR-ZBFHGGJFSA-N 438.550 0.983 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751643163 ZERMWYICLPHENU-JTQLQIEISA-N 435.824 0.429 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 755057723 ZUFHUKBPWVYBDO-OAHLLOKOSA-N 430.373 0.776 50 20 ICGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 755253900 BDSZCTZQHAMVBR-MWDDYTRKSA-N 426.429 0.209 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1 755531904 JVYKDYZJAIMFSA-UHFFFAOYSA-N 437.526 0.669 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 755543350 BLAQIWRJWDAAGM-MRXNPFEDSA-N 428.401 0.582 50 20 ICGD O=C(NC[C@@H]1CCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757255777 WZSDNJSHHPYZSD-AWEZNQCLSA-N 428.536 0.547 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 757870862 AXAYGDWMJFVWJY-HNNXBMFYSA-N 449.493 0.679 50 20 ICGD NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 758139046 OQLJXDJKUYWAAH-SFHVURJKSA-N 432.502 0.039 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763199775 RBOKIRWEXSRSSB-UHFFFAOYSA-N 445.501 0.373 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 763663823 NYFUMPUSNJVMIG-UHFFFAOYSA-N 430.417 0.494 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 763804451 SZNIWTFQKQIUQK-UHFFFAOYSA-N 430.299 0.519 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1cccc(I)c1 763824394 ITPKFKQFORFKFG-UHFFFAOYSA-N 438.225 0.806 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763975440 JJUGTYMMOKTFRY-UHFFFAOYSA-N 429.813 0.988 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 764003210 CFKULZUYLDHRSH-UHFFFAOYSA-N 437.412 0.996 50 20 ICGD COc1c(F)cc(F)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764261134 ZLMQKVPWTIWVDU-UHFFFAOYSA-N 434.403 0.766 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764275988 VLFZJRBMFLVCLB-UHFFFAOYSA-N 442.428 0.030 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 764401017 SOVPHTSAGZIITR-SECBINFHSA-N 432.246 0.676 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764405731 XQAVBWXMRWCANY-UHFFFAOYSA-N 432.458 0.525 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)c2ccccc2O1 764412025 CZZRPRSWCRNFOY-HNNXBMFYSA-N 434.811 0.780 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(C#N)cc1 764523048 KDKLEIQFPUXQDY-CYBMUJFWSA-N 427.442 0.323 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CCc2n[nH]cc2C1 767115537 IPJBVUQSHVGJCL-HNNXBMFYSA-N 432.506 0.696 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cn(C)c(Cl)n3)CC2)cc1 769832845 KJCRBPMYSWVYES-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)n(C)n1 770401299 VOMGYOCTFQUJDT-LBPRGKRZSA-N 442.484 0.760 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1cnccn1 775280450 CRPPRNZNKCPSPA-GFCCVEGCSA-N 446.411 0.551 50 20 ICGD COC(=O)c1ccccc1NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 777828732 ODKKGJAQEXOWSO-UHFFFAOYSA-N 434.474 0.714 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccc(O)c2)c1 778282067 CYRARKGFYUTORF-UHFFFAOYSA-N 448.501 0.614 50 20 ICGD COc1cccc(NNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)n1 780771435 SLSVHRVYJQNWMP-UHFFFAOYSA-N 433.490 0.700 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc21 785059989 FYCSEZHQUJNCPC-UHFFFAOYSA-N 449.471 0.755 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc2c1=O 794774097 CMHOVSITTOZLKS-CYBMUJFWSA-N 445.476 0.721 50 20 ICGD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NNC(=O)NCC(F)(F)F)cn1 798315008 KNQLNGZSBRQJBL-UHFFFAOYSA-N 426.402 0.789 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 799860174 XOZXLUDWLYEAKY-GWCFXTLKSA-N 449.327 0.710 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 800748807 NIDGVMIRMRMFOC-NWDGAFQWSA-N 429.455 0.022 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 802112982 YWZHTXINMPOHQC-UHFFFAOYSA-N 425.854 0.999 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 805769900 XDWRIDVQSQGVTF-GFCCVEGCSA-N 440.448 0.911 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2CC)cn1C 808068502 BKZZHOWQCADVRF-UHFFFAOYSA-N 437.474 0.722 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)cc1 813033539 YGPKPTPNYDYRCQ-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(C)c2I)cc1 815514297 MWBXTGSECXYVCQ-UHFFFAOYSA-N 442.213 0.951 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 859238591 HKSHCZBIFKSTOZ-BNBDDXAPSA-N 429.429 0.281 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 914748132 IRVFVGRPWXLYIA-NSHDSACASA-N 436.412 0.109 50 20 ICGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 914748831 INFNGGVZQLLNSU-INIZCTEOSA-N 430.486 0.404 50 20 ICGD O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1cccs1 919183431 VULMOFFYSADSBE-UKRRQHHQSA-N 449.460 0.396 50 20 ICGD O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885022 MHQONEKIKZFYNQ-CYBMUJFWSA-N 425.463 0.328 50 20 ICGD CCCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 920822442 QWWFPJYZRIXJMQ-UHFFFAOYSA-N 439.538 0.430 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778030029 KEKWMXNDPCDBIS-DKEWWPDHSA-N 441.891 0.643 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccno1)C2 1779371035 IGNMOUJXFXJQNG-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782172383 APWNPWGKOZXSBZ-PJIJBLCYSA-N 427.885 0.874 50 20 ICGD Cc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210804 NEQLGFJHTUNJGB-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD O=C(CCc1ccoc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782661110 WLMGCHTZHSTWMT-NFBKMPQASA-N 440.305 0.720 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1783533316 UWZDUNFLEOMCIY-MBWOQVIGSA-N 428.327 0.608 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783539540 LAYQHNMKXGAOEA-NOZJJQNGSA-N 430.221 0.278 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783587473 LPQXGJJJKPNION-MPKALDKKSA-N 444.536 0.196 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)[C@@H](O)CCl 1784095017 ZXKGEMREXJTTDG-YQJHJZDMSA-N 447.919 0.476 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784462024 FLSWEDDUVMXWDT-LVJXIGIWSA-N 435.289 0.308 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3CCCCO3)[C@H]2C1 1784959655 RZNPXCUMYGIXTH-LNMJFAINSA-N 445.520 0.238 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cnccc4[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979586 AYVSXHFNYYHEQU-XERREHJYSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc(Cl)s1 1789001990 XHOJGRIXSAFEJJ-QEJZJMRPSA-N 449.725 0.383 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)=Cc2ccccc2N1 1789156023 JKKLWQWXIJOWIA-CBVHJVASSA-N 447.919 0.992 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793364486 FPTJXDYMXDQLRX-FQPOAREZSA-N 427.292 0.173 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1F 1795987825 KCVGUMAERKCNGS-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796192616 MXPDXRFSHLCKMK-WKCHPHFGSA-N 449.316 0.357 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)cc1 1796370830 MUOBVERSIKOTDP-RMHZUWNSSA-N 428.844 0.976 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc1=O 1797938195 YEEITYWDLPTGED-IPVBOJNNSA-N 426.311 0.782 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102587 GJHAGFNCHACRKE-DJBIQUGXSA-N 441.282 0.552 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1NC(=O)C3)C2 1798443046 OOTFSGWHIFIVHF-QDMKHBRRSA-N 448.483 0.745 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1)C2 1801013299 LRRLSASRKOEAFE-VPTLXERWSA-N 434.562 0.741 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnsn1 1804993916 FHNITNPXBNHZEI-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079161 CSVFCDZUQXBWTN-VBNZEHGJSA-N 434.859 0.876 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976904 WLMVKKKRTNIGTJ-UHFFFAOYSA-N 444.728 0.761 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)C(Cl)Cl 1813075489 DTKFBNFFSPEWIZ-SMDDNHRTSA-N 428.276 0.443 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)O1 1815344261 QLSVCAUIIVEVFG-DJSGYFEHSA-N 429.307 0.616 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC=CO1)CC2)c1ccc(B(O)O)cc1 1815344264 QMTMWIIBVNANST-HOCLYGCPSA-N 427.291 0.741 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1825742945 PWCPYDAXCIKQFR-GOSISDBHSA-N 425.298 0.042 50 20 ICGD COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1825769281 XIGNLKFDVGIUDC-TZMCWYRMSA-N 449.957 0.725 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1830537588 KYIAXWUWCOIAPR-CXAGYDPISA-N 429.315 0.521 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CC2(O)CCC2)CC1 1832459379 KATUUAPVXWGCAR-FQEVSTJZSA-N 428.338 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832561487 QXXJDXTXQIKMBL-QFBILLFUSA-N 429.901 0.544 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171203 VUMKMNYNBCYZJR-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833276684 YOTDGFBCFLKTNO-CJNGLKHVSA-N 432.246 0.081 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834076528 SRSOIVSXYNCMAD-GFCCVEGCSA-N 427.347 0.784 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834602021 GERLABDPTCDMDY-QGZVFWFLSA-N 429.267 0.495 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801326 YFATUPKMRUKJCR-MWTRTKDXSA-N 427.354 0.598 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836040581 VEHBBINJEMWCIG-INIZCTEOSA-N 432.340 0.927 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1836371862 CMVFKIRKRBJRDV-YJBOKZPZSA-N 431.984 0.728 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836395206 XZIZEMAMXXRDEQ-GJZGRUSLSA-N 427.933 0.174 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837713067 FKNICKFRVAJCDY-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837944490 COWCRRASYQEOIT-KXBFYZLASA-N 440.884 0.652 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1838595173 KGJJEWQTCGEERQ-DNVCBOLYSA-N 442.299 0.881 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839150401 LNHSBZRLLUOKPX-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839153318 GRMOTTQQTWJNAI-DLBZAZTESA-N 436.292 0.473 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cccc1=O 1839198323 YAKYEXZCYBKLFS-PBHICJAKSA-N 446.273 0.146 50 20 ICGD O=C(c1ccc(CO)o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199964 BAULBBDPCHWIEL-CZUORRHYSA-N 435.246 0.532 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839961884 MCBRGXBLYSTBOM-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1840151812 OCQUUTHWEPBQGJ-DYVFJYSZSA-N 432.930 0.099 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184643 ZAWGQSWLVUUEID-PGRDOPGGSA-N 436.553 0.584 50 20 ICGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840321760 HYTGGZOBUHRSHO-CVEARBPZSA-N 426.297 0.035 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609489 KEDLXTQLCVZFAG-CGSPGFDNSA-N 431.327 0.509 50 20 ICGD O=C(c1cnc2c(Cl)cccn12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013744 HVSGCGMXWJOLOY-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)[nH]n1 1844264677 WFDFMHKULWNDRF-UHFFFAOYSA-N 425.493 0.837 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847059684 CDIAXPXNFOXGSU-INIZCTEOSA-N 435.289 0.002 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 14329309 YDPFEDYTWKHEBC-AUUYWEPGSA-N 433.486 0.991 50 20 ICGD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728380387 RVBGFESMHZISDW-DZGCQCFKSA-N 443.547 0.445 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731496959 ZJXJAPKSZBUTKY-JTQLQIEISA-N 446.420 0.465 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732248008 XBMHYVUIDWMQNJ-KRWDZBQOSA-N 426.539 0.828 50 20 ICGD Cn1c(NNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 733261636 WDSCAUZKBIATQY-UHFFFAOYSA-N 446.445 0.653 50 20 ICGD CN(C)c1nccc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 740112470 KEPPMDVSELFBLA-CYBMUJFWSA-N 446.489 0.623 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)C(F)(F)Oc3ccccc3)ccc2N1 741653351 YTXCADGTHCHCAH-UHFFFAOYSA-N 440.384 0.949 50 20 ICGD O=C(C[C@H](C(=O)NN=C1CCn2cccc21)N1CCOCC1)NN=C1CCn2cccc21 741767596 ZVOSNWLSXXTWDO-HXUWFJFHSA-N 437.504 0.529 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 743741375 BCAPNHGYGNMXED-UHFFFAOYSA-N 439.519 0.816 50 20 ICGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 745848216 RXEUEVKSMFIREE-NDEPHWFRSA-N 438.531 0.488 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 746218053 SPEJVOMPJHVKFB-GOSISDBHSA-N 432.440 0.869 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2)cc1 746950357 UEQSWVJCSSYDJV-QGZVFWFLSA-N 443.591 0.888 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)C1=O 747474143 QXSMOCCJOTWKID-UHFFFAOYSA-N 426.429 0.686 50 20 ICGD N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 752411359 MULVHSCSJLHSBS-MUMAZLPKSA-N 434.493 0.180 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccccc1-n1ccnn1 752579555 SJMKTJHHOSYXPN-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCC(=O)N2C 754713328 HICCXQKXRKAFRX-UHFFFAOYSA-N 430.490 0.021 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(I)ccc1F 761835440 JPIHATHYFMYMAU-SSDOTTSWSA-N 426.207 0.626 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 763540447 VFYFTTPAIVUOLS-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572300 QHXZCYWEIMWXDZ-KRWDZBQOSA-N 441.444 0.153 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)cc1 763661975 RSGNYIDCOSWFKQ-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 763921877 QUEHFCDJZFKQDH-UHFFFAOYSA-N 435.379 0.387 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1 764131785 NXPBEVSDDIHSJM-UHFFFAOYSA-N 441.488 0.954 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764169978 XVDXTYXARIGOJR-FQEVSTJZSA-N 438.484 0.651 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)Cc2ccccn2)c(OC)c1 764264271 OTDLXCYEGJQOGT-UHFFFAOYSA-N 438.444 0.672 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764267213 CZAMYIYLBRJPGH-CQSZACIVSA-N 447.517 0.628 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 764328182 CAYQXSZQWSQWCU-GOSISDBHSA-N 428.493 0.495 50 20 ICGD COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)cc1 764426641 VPVLFVZMIJDNLF-KRWDZBQOSA-N 442.428 0.449 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)NCc3ccco3)CC2)cc1 765753248 CNVZCUSMKZAYQS-UHFFFAOYSA-N 442.520 0.352 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(F)ccc1[N+](=O)[O-] 766645238 ZRWCTBOUOFBLPH-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605042 NRPVOSNGBCHMAP-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD CN(NC(=O)[C@]12CCC(=O)N1CCS2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704187 KPGJGBRLKSEDKI-GOSISDBHSA-N 427.527 0.688 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 784004188 BTIYUOIPTIORDG-HNNXBMFYSA-N 446.485 0.822 50 20 ICGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785061607 YLWDIQFZFUXELS-UHFFFAOYSA-N 425.445 0.997 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799353935 XNCSZFAYPVZVPZ-UHFFFAOYSA-N 446.407 0.792 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)NC(=O)NC1=O 802067803 MUTLRCQDZHMXRB-LJQANCHMSA-N 445.457 0.611 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1F 802570477 PRDJZKYADROTQB-UHFFFAOYSA-N 445.382 0.967 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)ccc1F 806974769 SYXFNHNZCRRWAX-UHFFFAOYSA-N 442.400 0.038 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 807369465 VCYJSTSJAIGMCC-UHFFFAOYSA-N 442.519 0.848 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCC1 811683052 PFOKXPZMZSUCIW-UHFFFAOYSA-N 425.511 0.377 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)n1 815568258 BAEYPJXNEMQROD-UHFFFAOYSA-N 434.474 0.931 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751632 HUTPNYYTMYRACD-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 818767810 PXKZUMWJCHOKQK-UHFFFAOYSA-N 446.283 0.391 50 20 ICGD CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(C)=O 884742297 RHXIWJRRHSJWDM-BONVTDFDSA-N 432.930 0.902 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)OCC(F)(F)F 917496572 YLSRPVGJURIETM-UHFFFAOYSA-N 425.389 0.338 50 20 ICGD Cc1nn(-c2ccccc2)c2ncc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc12 919886956 WKXFERIMUSAVCN-AWEZNQCLSA-N 428.474 0.860 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)N[C@@H]1CCS(=O)(=O)C1 919889823 VCJZEZHRSDJTPP-CYBMUJFWSA-N 446.464 0.933 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 920862847 VJGZOEGGDNYAOC-QGZVFWFLSA-N 440.522 0.799 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1116895914 FHBCHBCXCKAKTM-UHFFFAOYSA-N 444.513 0.755 50 20 ICGD O=C(CCc1nc2cccnc2[nH]1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1324050605 RKIKNTODRKHHCZ-UHFFFAOYSA-N 435.488 0.496 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(C[S@](C)=O)cc2)c2ccccc2c1=O 1329248394 MGRBMKUYQMWQJY-PMERELPUSA-N 427.486 0.956 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1338096507 IXJIPMWDKYUIME-UHFFFAOYSA-N 443.504 0.971 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777968043 FYKSWXZVKCNLIP-YIOZNXECSA-N 444.985 0.781 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780124050 PZECWJJLKLBOEY-FXAWDEMLSA-N 426.897 0.491 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781328788 ZTPDWSPMISXKKH-NVXWUHKLSA-N 435.338 0.144 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C[C@@H]21)[C@@H](O)CCl 1784091472 VNLQOYHPDXCMIQ-USJZOSNVSA-N 433.896 0.665 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1784615963 VUBPDLXHOXGSEP-FQUUOJAGSA-N 425.850 0.098 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2cc[nH]c2c1 1787830727 NDINNIUSCHOOME-VCOUNFBDSA-N 447.300 0.755 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)C3=NNC(=O)C3)cc2)CCC1 1789478443 STNPPHXSRSJKCB-UHFFFAOYSA-N 435.444 0.309 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924437 DDMAHMZIUWKGCR-ZBPZKIAKSA-N 445.245 0.459 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791255635 XKCXAHXKVLVPMO-FJIDUMEYSA-N 426.941 0.919 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cnc1O)c1ccc(B(O)O)cc1 1792438760 MLWCMUVIMWZWDF-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD CC(C)(C)OC(=O)N1CC=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1793225569 IZJIQPNPDPCIJH-QKPAOTATSA-N 443.928 0.353 50 20 ICGD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880578 AEVMTZOWWOPUJO-IVSAIRAKSA-N 446.976 0.708 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCn1cccc1)C2)c1cccc(B(O)O)c1 1795740272 MURRUJWMSPOUJR-HATOLVCRSA-N 439.321 0.242 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796360958 GZXQYDZOPMLUSE-ULYCIKHUSA-N 441.887 0.290 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)cc1 1799297170 LLGGSRFARJIKCN-WMIGDMCZSA-N 438.289 0.079 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799364704 BCOOHVINODAKJA-CUZKYEQNSA-N 437.896 0.386 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1799910044 SAKCLXXGNGXYCZ-MUJYYYPQSA-N 439.557 0.911 50 20 ICGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)CCBr)C3)CCC2 1800047053 WSEUVGRKMJQXGQ-DRXBFXEBSA-N 425.327 0.897 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803338599 PAZPRCOQVGGSRF-RCJHGTSTSA-N 428.537 0.810 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)[C@H](O)CCl 1814877951 PBGZDWHQZWQGNY-NXEZZACHSA-N 425.795 0.680 50 20 ICGD COCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819793763 SIZSHHXFNCABQL-NSHDSACASA-N 444.517 0.794 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1819988203 QHHZOLYWQVLMQO-CQSZACIVSA-N 439.306 0.323 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824701949 BWWPUPWKEXOQQA-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328466 CQFOOZDTQRMQAF-WDEREUQCSA-N 449.371 0.125 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cncnc1)CC2 1826085163 IBUKAUSSPIYRRL-AWEZNQCLSA-N 445.549 0.851 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1829846572 XFZUNYICSWFYIQ-YEWWUXTCSA-N 448.358 0.389 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885770 OKQOQHJCVSTDIM-HNAYVOBHSA-N 446.386 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1830539026 YXAGTFGDHBXGJD-RDTXWAMCSA-N 443.342 0.450 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831922118 HCBKWZOTRWMUCD-LJQANCHMSA-N 442.513 0.330 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1833519561 KCBCNSMRDZAILE-UZLBHIALSA-N 425.913 0.968 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833637752 UURKWCUFECKNTI-KBXCAEBGSA-N 449.838 0.353 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789673 QCGWQXIPJAQITB-BDJLRTHQSA-N 447.355 0.826 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1836202612 RADKXSXXCHNNMV-WMLDXEAASA-N 429.315 0.431 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cncn1 1837717650 LLFICONYVVDDFI-QAPCUYQASA-N 425.562 0.147 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1840150168 HDLIKYPZRUGXNB-DNVCBOLYSA-N 446.331 0.988 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1840150225 HZWJSRNOXWWYPE-HNAYVOBHSA-N 446.331 0.988 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353511 ANTDNUSPGFDKNA-LJISPDSOSA-N 427.929 0.902 50 20 ICGD O=C(c1cnc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011021 GFRNDHVFJGZWOL-UHFFFAOYSA-N 434.183 0.306 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844265180 CIUXMSJRCNZXIB-UHFFFAOYSA-N 425.493 0.406 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1846363597 RLXWOLTWULKNIA-AWEZNQCLSA-N 433.933 0.985 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 45866011 OFJWZKUWSIDVGE-UHFFFAOYSA-N 444.487 0.739 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 725873043 UERGSYNXIYIJMN-UHFFFAOYSA-N 431.424 0.737 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3COc4ccccc4O3)cc2)CC1 728213168 FWGKYFCXJBPHKV-LJQANCHMSA-N 432.502 0.906 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cc1[C@@]1(C)NC(=O)NC1=O 728853318 CVBMCBUBBLRTSR-LJQANCHMSA-N 443.441 0.245 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cn1ccc2ccccc21 729450220 SGUPFKQNGXZLAX-UHFFFAOYSA-N 445.501 0.462 50 20 ICGD O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)C(=O)NC1CC1 730519736 XJOMGMSGHHFBFX-GFCCVEGCSA-N 442.259 0.624 50 20 ICGD O=C(COc1ccccc1Cc1ccccc1)NNC(=O)NCCCN1C(=O)CNC1=O 731118258 PDLOIFWDPUNOBF-UHFFFAOYSA-N 439.472 0.929 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 740852681 IGOSTLFSNIZPJL-UHFFFAOYSA-N 430.502 0.920 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 741276172 KHFCVYOHAZZSAN-UHFFFAOYSA-N 435.510 0.918 50 20 ICGD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1ccc(Cl)cc1 747573832 LXQDBTOJOYGMHX-UHFFFAOYSA-N 440.861 0.724 50 20 ICGD CN1CCC[C@@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1=O 748664635 LYGYSWHDDKFDBZ-GOSISDBHSA-N 448.487 0.953 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 749522878 JDBJSFZWEMJOER-OBJOEFQTSA-N 425.490 0.474 50 20 ICGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnn(C)c1 749874612 PAZWDPUPGOBXSK-HNNXBMFYSA-N 449.533 0.325 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc(F)c2F)cc1 751260992 HXOBHZTYKJWNFU-UHFFFAOYSA-N 433.458 0.903 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 751282531 NBZZGLJIJWAWFN-UHFFFAOYSA-N 435.480 0.030 50 20 ICGD CC(C)(C)c1nc(CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 755946501 MPXOZVWVFFALMD-UHFFFAOYSA-N 445.480 0.854 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(OC)c1 757180650 VEDVNACDLLDICE-NSHDSACASA-N 439.494 0.642 50 20 ICGD CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 758070661 FCPRACGQZVHCJM-UHFFFAOYSA-N 428.470 0.974 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2COC(C)(C)OC2)c1 758736404 PHIAXTOAUCDUTJ-UHFFFAOYSA-N 428.511 0.813 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 758832035 HNDFUGCUEFGSQV-HNNXBMFYSA-N 425.445 0.871 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOc2c1cc(Br)cc2[N+](=O)[O-] 761809443 MHICMIHNWOIJGF-ZETCQYMHSA-N 435.256 0.898 50 20 ICGD CN1C(=C(C#N)C(=O)CCc2nc(-c3ncn(CC(N)=O)n3)no2)N(C)c2ccccc21 761931701 NTAJSNRWHCQGKJ-UHFFFAOYSA-N 433.432 0.636 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)cc1C 763667718 VGQYZILEXSFPCF-UHFFFAOYSA-N 427.461 0.700 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OCC(N)=O 763870629 BDSWUMXPYLMTOP-LLVKDONJSA-N 448.407 0.252 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)n1 763893720 XZVDDDJGOXQXME-GDLZYMKVSA-N 431.396 0.913 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(CSc2ccccn2)c1 763996667 FIPVICBORRLKSN-CQSZACIVSA-N 448.526 0.895 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 764001835 FUJPUEHWYZYNRC-CYBMUJFWSA-N 439.490 0.091 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 764227793 RTRGGSQEZYUJEL-JTQLQIEISA-N 439.494 0.440 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)cc1 764228274 WYVCEVJIWGIQOE-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764239046 BTQOQZTYIXNXIC-UHFFFAOYSA-N 436.472 0.928 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764286974 RABGSPJYKRYZFP-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1C 764345476 GDUDMSXSCLCKDE-UHFFFAOYSA-N 425.449 0.732 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 764398123 CYRMQUVDZIRWRE-LBPRGKRZSA-N 440.884 0.713 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 764565209 ZMPZEDBONPRJKL-CHWSQXEVSA-N 434.449 0.979 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 771942932 YPLCHOMRLPZREI-GXTWGEPZSA-N 427.479 0.247 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1cccnc1 772228504 OUSHVZWOAPVGDF-AWEZNQCLSA-N 437.522 0.701 50 20 ICGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)n1 778708363 ZSPNTUJCJGKCCF-JSGCOSHPSA-N 431.449 0.847 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c1O 780380780 VUJUKOJUTZCYGH-UHFFFAOYSA-N 441.487 0.465 50 20 ICGD CO[C@H](C)CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 782194156 MXPUNCYQPHQNLK-OAHLLOKOSA-N 427.523 0.603 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(OC[C@@H]2CCCO2)c1 783429037 ZGEAEXKYFNMGLV-LIRRHRJNSA-N 425.507 0.689 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)c1 784003773 OLQNRKBJYKEMTN-UHFFFAOYSA-N 434.474 0.598 50 20 ICGD CC(C)n1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784229067 AJLUNFFGQWAOAC-UHFFFAOYSA-N 449.537 0.482 50 20 ICGD O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784871229 IEHIKJRFXVDBDD-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785068582 XOALOQOJOWDNNE-UHFFFAOYSA-N 439.428 0.605 50 20 ICGD O=C(CCSCCC(=O)NNc1nc2ccccn2n1)NNc1nc2ccccn2n1 791255861 IXSAVKIIKXBINP-UHFFFAOYSA-N 440.493 0.872 50 20 ICGD Cc1nc(Cn2nnc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2C)no1 794063540 INELWLRSJWGTDE-UHFFFAOYSA-N 428.409 0.014 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CCSCCC(=O)NNC(=O)c2cccc(C)n2)n1 794078387 ZMJIBWPOFUALEU-UHFFFAOYSA-N 444.517 0.829 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)Cn1ccc2ccccc21 796180254 MPWRQWFZIWIUAW-UHFFFAOYSA-N 426.458 0.644 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@]2(CCCOC2)O1 796502949 GOGKABBBRRXHBV-SCLBCKFNSA-N 425.511 0.604 50 20 ICGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066995 HALZQMQOLGOWDM-SECBINFHSA-N 425.496 0.745 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810813151 LOGYTZTZMWAFRA-UHFFFAOYSA-N 439.494 0.289 50 20 ICGD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)ccc21 815692993 IQXPNQHNUJAWMU-GFCCVEGCSA-N 438.492 0.811 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCc2nncn2C1 816880983 WTLWPYYTVKNNOP-WDEREUQCSA-N 433.450 0.262 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 818751247 YAXBAZAVURHEKA-UHFFFAOYSA-N 446.283 0.613 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 890565525 DPNZCKBROAVESL-NRFANRHFSA-N 445.497 0.935 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 914748296 UACKGZQVWODNIG-HNNXBMFYSA-N 430.486 0.751 50 20 ICGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915616447 NKIKGFAJEJZTQM-INIZCTEOSA-N 425.507 0.818 50 20 ICGD CCOCCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915636408 SWGGPXLBWPUVEZ-UHFFFAOYSA-N 427.523 0.604 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 915788456 LLTJPRZXTUFEEI-UHFFFAOYSA-N 443.485 0.795 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O 916246951 ZFVFJQYHBOCNBZ-UHFFFAOYSA-N 444.473 0.449 50 20 ICGD O=C(NNS(=O)(=O)c1c[nH]c2ncccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 919954060 BUJMPNUETCBIKX-UHFFFAOYSA-N 449.514 0.971 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 1318266249 WCBPJNFSVHKRGU-UHFFFAOYSA-N 442.476 0.288 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 1336569279 LSQIOEMLPUGYMW-CQSZACIVSA-N 435.502 0.748 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777730263 ORTUFWZIBMTHBK-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778701356 BMJZKCYCNBJRBN-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778885251 IHMCDCSMAQGOPZ-KSFYIVLOSA-N 427.505 0.897 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1779028688 NTYZBKZOTDUKRG-SHTLVRLNSA-N 425.445 0.435 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1779029374 QXLBIISMWSFWJI-FQEVSTJZSA-N 442.501 0.126 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779053122 BJZMXTOHODRJIB-DYVFJYSZSA-N 426.315 0.892 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372598 MVLHNMYEBAURBO-YBOAYWMSSA-N 447.536 0.626 50 20 ICGD CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc2C1 1782564213 IYOKCNSUGPGPGL-GOSISDBHSA-N 430.336 0.966 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783348789 ANBLCMKJHQQIIY-GEEKGILVSA-N 428.327 0.825 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937238 QUYVLUQWTFNZRP-CXAGYDPISA-N 433.347 0.363 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]21)[C@H](O)CCl 1784093201 RYEDPNRQTCLPDP-KANFNMMFSA-N 449.935 0.612 50 20 ICGD O=C([C@@H](O)CCl)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)Nc4ccccc4)CC3)[C@H]2C1 1784557775 JPZAGAMNTXPYMQ-DKIMLUQUSA-N 449.935 0.985 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785696153 ZDAURTUGDVGXGL-RTWAWAEBSA-N 449.458 0.874 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4[nH]ncc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979929 QIMXGISOTQOXDP-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791055125 KCJWQYORVFINFJ-PEDHHIEDSA-N 439.372 0.430 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1791253502 DDQSHMQBJGIDPH-PXOUGSPUSA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccc(O)c3)C[C@@H]21 1791293116 JUBCRMTUBBUYFP-DTHYPMGGSA-N 444.532 0.758 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792867897 KJMWQYFVETVIFR-AYDFFVQHSA-N 443.342 0.764 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3o1)C2)c1cccc(B(O)O)c1 1795740729 KNVWPEYHQOBKBB-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnc2ncccn12 1797028339 FRKJNEZOKUIVPV-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797692022 PLNTXKULCBOHPE-NEBZKDRISA-N 442.303 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 1802337210 KCUSTNYMXQJOMR-BCDXTJNWSA-N 439.520 0.892 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnc1 1805462851 ITGSJNNPHHADAA-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CCCS1 1813612300 TWSXJZSHVAQKCP-YSIASYRMSA-N 439.346 0.977 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCSC(=N)N)sc2C1 1814952027 NCNCQJXHIPSQIY-SNVBAGLBSA-N 441.583 0.445 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348640 URPIVYHOGOHGOI-WFASDCNBSA-N 430.339 0.389 50 20 ICGD CN1CCN(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)CC1 1817150083 IWZLOXPIFJLJSB-HZPDHXFCSA-N 426.949 0.639 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccncc1O 1819672441 QEJWEERVZQMJBV-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(CO)o1 1819776016 GGTSJYLTVPMQGA-QGZVFWFLSA-N 438.249 0.795 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1820187511 ZZEDWTWSAYDAEH-JQWIXIFHSA-N 447.355 0.991 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 1822837025 KWHAYRSRXUUZNY-MRXNPFEDSA-N 430.513 0.751 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827137697 DECKOLGWVODFFY-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1827679672 OSFFTQMHLCKWBQ-NFXIUMSZSA-N 445.524 0.408 50 20 ICGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](F)Cl)C2)C1 1828963310 ZAXZNOFUYJZYRL-QFBILLFUSA-N 426.876 0.932 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830546638 UVNFUFWNWUHLJS-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723885 SRKKCKHUYZFTKV-LPHOPBHVSA-N 430.860 0.261 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726954 XPCLAKHJJLJYGC-VQIMIIECSA-N 429.876 0.209 50 20 ICGD O=C(c1ccoc1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727719 CLKOWRADNMIACA-LRDDRELGSA-N 440.802 0.968 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c12 1830737055 ZRKJGWWGXMVIFZ-JXFKEZNVSA-N 436.896 0.312 50 20 ICGD O=C(c1cccc(=O)n1O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714950 FLSSNCVTCQIDAH-MRXNPFEDSA-N 427.885 0.298 50 20 ICGD O=C(Cn1cnnn1)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1837967899 BHICVONBJOLNRT-AWEZNQCLSA-N 433.282 0.362 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839151462 RZNULYOQSUDEJL-ROUUACIJSA-N 432.304 0.626 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153138 BUNSQRXZTZGFCA-JEBQAFNWSA-N 436.336 0.370 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1839967446 MKYYECSKAKWTOE-JKIFEVAISA-N 444.330 0.469 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840031815 CSXILCNNZXYKND-KSSFIOAISA-N 441.326 0.649 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840032023 LJLCTQHOWJWVQE-GUYCJALGSA-N 429.315 0.202 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1840150169 HDLIKYPZRUGXNB-HNAYVOBHSA-N 446.331 0.988 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1840151514 FHXRNWUWWNCRGJ-PXNSSMCTSA-N 443.903 0.948 50 20 ICGD CNc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840184115 SXKLKKBMFXGNSH-JOCHJYFZSA-N 447.536 0.171 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840196072 NIDYXPZHCHRGKE-XJKSGUPXSA-N 439.372 0.342 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840728694 RZUUQMMUAHXKQO-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD O=C(c1cn2c(Cl)cccc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011345 UEUDTSDFCSGRJQ-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1846384293 ZAJZYAYENNBARP-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1C 9351357 MIIFPFWRGBBIHT-UHFFFAOYSA-N 433.486 0.976 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2n1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 45574420 IKGUXAKNGFJJAC-CYBMUJFWSA-N 429.458 0.161 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882841 CXHRZHODCZPPHD-WSLMLHKMSA-N 440.508 0.577 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@]1(N2CCOCC2)CCSC1 726239248 YEXBGVQNHIXTIE-QGZVFWFLSA-N 427.552 0.016 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)c1ccccc1S(=O)(=O)N1CCOCC1 726370045 NPGJSANFRNONCW-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD COc1cc(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(F)c1 728854169 OHBIHISPRSDETC-UHFFFAOYSA-N 427.433 0.990 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccn2)cc1 729536430 YVYSERIMQSKMRG-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD CCN(CC)Cc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1O 730570345 IRASXOYKBAIKFQ-UHFFFAOYSA-N 448.549 0.659 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734239544 RTKQCSOHWVBBPR-UHFFFAOYSA-N 443.526 0.762 50 20 ICGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cc21 736063448 OYPRORGXWKULPT-UHFFFAOYSA-N 436.515 0.787 50 20 ICGD O=C(NCCNc1nccc(C(F)(F)F)n1)NNC(=O)c1ccc(-n2cnnn2)cc1 738451241 YCLPOKSLTGUOEM-UHFFFAOYSA-N 436.358 0.527 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1 742031180 CGQYVCBLHCWQIT-LBPRGKRZSA-N 430.490 0.713 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 743291705 SDWFRQBTNNGETE-IYBDPMFKSA-N 438.550 0.795 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1ccccc1S(C)(=O)=O 743368632 QTOXCQIXCUEIIH-NSHDSACASA-N 429.524 0.251 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 743886011 ASNJUEHMDBZOGS-UHFFFAOYSA-N 432.458 0.546 50 20 ICGD Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744544625 AHYLUFQFAHXLNR-ZDLGFXPLSA-N 449.402 0.995 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1OC 745919669 VKMFQHMSCJKOME-IUODEOHRSA-N 430.465 0.965 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)c1 746093554 RBNGJAAKEQRQPB-SFHVURJKSA-N 448.501 0.588 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 746096245 RAHMTIWQTDPNIL-UHFFFAOYSA-N 448.505 0.313 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1 746385442 DLKXTYMSXVBZCP-GOEBONIOSA-N 434.562 0.815 50 20 ICGD CN(CC(=O)NNC(=O)Cc1cn2ccccc2n1)C1=NS(=O)(=O)c2ccccc21 746554101 WLVNTIMWGIXQPD-UHFFFAOYSA-N 426.458 0.105 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 747448661 FXEKSMGBAPQVHS-KRWDZBQOSA-N 440.591 0.266 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(F)cc(C(=O)O)c2)c1 749141244 GSVHSBQIMDUVAZ-UHFFFAOYSA-N 445.450 0.398 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCCC1 749786616 TWZNLZFCKHLAKL-UHFFFAOYSA-N 443.547 0.590 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)C(C)(C)c1ccccc1 749824431 YDARFPOUMZHLCI-UHFFFAOYSA-N 433.476 0.990 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)sc1Br 751212111 WAYRMWQSYOHNRC-ZETCQYMHSA-N 432.343 0.499 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)n1 752689694 WMQFJAISSUJDHK-UHFFFAOYSA-N 434.931 0.524 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 753485599 XQBRUCNIFPKYTO-UHFFFAOYSA-N 425.357 0.460 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C(C)C 753839765 DJMALHXCYHMFDM-GFCCVEGCSA-N 430.531 0.076 50 20 ICGD C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OCC 755382731 ZDZUXXFCNOABCN-QGZVFWFLSA-N 425.507 0.840 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2=O 756859989 ZTEWYKHBJFWLOQ-KXUBAAQCSA-N 430.461 0.721 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)CC2CC2)c1 757776242 PNUVXUKZQPSXKR-UHFFFAOYSA-N 425.511 0.726 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 763557115 VQFOJSQVZTUTOY-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763678610 IMWJQHPARKKVKU-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763745297 CABNYVCRILXFJQ-UHFFFAOYSA-N 437.435 0.945 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763873106 QYRJWVTVQRZLFT-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccc(Cn2cncn2)cc1 763994983 KSYBWAYDBYCOQH-UHFFFAOYSA-N 432.238 0.817 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1 764002208 KELYIHXPWQWDNN-UHFFFAOYSA-N 447.253 0.471 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 764042413 IYKMIKIIQRWRBH-UHFFFAOYSA-N 446.485 0.943 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C)cc2O)c2ccccc2O1 764104655 CIUWLVHSCXJDKF-SFHVURJKSA-N 440.456 0.782 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c2ccccc2O1 764132674 VQTLHJWPFZHINT-OAHLLOKOSA-N 429.385 0.129 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 764225556 AACXUZHHNLCJMI-LURJTMIESA-N 430.792 0.382 50 20 ICGD COc1cccc([C@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 764585620 RCGYJFQULPAAKI-SFHVURJKSA-N 433.486 0.974 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Cl)c3cccnc23)n(C)c1=O 764812928 SRUHPPMHHWYRDF-UHFFFAOYSA-N 425.836 0.786 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 769769538 NLDXIWYRDKTBEQ-BETUJISGSA-N 446.620 0.956 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 771211096 BJVGUQMMTZTAHN-MRXNPFEDSA-N 433.424 0.910 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)nn1 773500138 QYLDOCSYJGLFTH-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)cc1 773722860 MUXIVIGLVCKTBJ-UHFFFAOYSA-N 444.473 0.636 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 775706840 IZIWVKYCIQVODA-HNNXBMFYSA-N 445.457 0.307 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 776942499 MMKRYKDQDMZLLY-LSDHHAIUSA-N 446.298 0.979 50 20 ICGD COCCOc1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)ccn1 777405459 LUPBXDFWGKDZBM-UHFFFAOYSA-N 436.490 0.885 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1C 780352387 QUJQKZYHZWFOLX-CHWSQXEVSA-N 425.507 0.807 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ncncc1Cl 781820249 PNWIGPNLGOJEJT-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Br)ccc1N1CCCC1 782966348 MSNUORHAJDBPBL-UHFFFAOYSA-N 438.282 0.414 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004118 BKUQCHBGMZRUHN-UHFFFAOYSA-N 433.446 0.467 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3ccc(F)nc3)cc2)CC1 784230160 KNIWOEUHKBGMES-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD Cn1nnc(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 787854267 SCPAGRZBGQLDTG-JYRVWZFOSA-N 439.867 0.826 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1C 789819230 NQOHLCZPVVZWQI-WMZOPIPTSA-N 429.477 0.805 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3ccc(OC)cc3OC)ccc2[nH]1 792354895 DBNCPBVHHLSTPJ-UHFFFAOYSA-N 439.428 0.944 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2COCCN2C2CCCC2)cc1 792803565 CKMHCEPAGJLGOJ-SFHVURJKSA-N 438.550 0.406 50 20 ICGD O=C(NN=Cc1c(Br)n[nH]c1Br)N[C@H]1CCS(=O)(=O)C1 792986366 MHGBIGPUEHNVOA-YFKPBYRVSA-N 429.094 0.755 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 794086702 VSKBLGIYRPNJPM-QGZVFWFLSA-N 447.517 0.380 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2csc(N3CCOCC3)n2)cc1 794717810 BVENBYUFYGBUHC-UHFFFAOYSA-N 425.536 0.916 50 20 ICGD O=C(NNC(=O)c1occ2c1CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 794743338 YJVWDNSCPJNCKT-UHFFFAOYSA-N 435.458 0.448 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1C(N)=O 797001700 JRONTJIPIIRETL-QGZVFWFLSA-N 426.429 0.662 50 20 ICGD CN(CCNC(=O)NNC(=O)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 798066371 MILVRMLWANKXMB-UHFFFAOYSA-N 438.481 0.993 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 806980212 LGTGMYBDLBZIDC-UHFFFAOYSA-N 431.467 0.610 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COCc2ccccc2)cc1 810423969 IUMGSVICNMCPHH-UHFFFAOYSA-N 434.474 0.288 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812446259 VOOGAWYAKVCMJV-UHFFFAOYSA-N 426.473 0.960 50 20 ICGD C[C@](O)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1 813373055 VRJYAIMAPNPLBI-HXUWFJFHSA-N 439.534 0.339 50 20 ICGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 813455433 AWNOQYXKRBOAAF-UHFFFAOYSA-N 426.433 0.881 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1-n1nnnc1C1CC1 814662816 OGBNAJAYQUPZQE-GFCCVEGCSA-N 438.452 0.555 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 815827800 OQZAYDKOQRGVSK-MRXNPFEDSA-N 431.928 0.459 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914777340 LRXJGMHCMWIVGY-FZMZJTMJSA-N 443.909 0.535 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1cc(-c2ccccc2)[nH]n1 914830657 NLMKNEXFUUODFD-UHFFFAOYSA-N 445.457 0.765 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCN2CCc3sccc3C2)c2ccccc2c1=O 919784918 QTTYJDHIKDPBGK-UHFFFAOYSA-N 426.502 0.997 50 20 ICGD COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc(NS(C)(=O)=O)c1OC 1347528690 MDBREYMESYVGMA-GFCCVEGCSA-N 435.524 0.181 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1F)C2 1778091714 OOUXCQPJONFOEL-DWCLWEAESA-N 433.484 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(C1)C3)C2 1779375380 MFRGOVPATYQBEW-YOWYSNAHSA-N 427.505 0.613 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)ccn2C)C1 1780059687 NNLMREXIBZMBMQ-WRWLIDTKSA-N 425.913 0.767 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781228091 VPXZXGVWSSOBNE-QZTJIDSGSA-N 429.109 0.046 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783265052 PFNDAOPTESDOHT-CQSZACIVSA-N 429.732 0.560 50 20 ICGD COCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1783927281 IBEQHHDVGBPBRG-VYOPWZLOSA-N 433.509 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)(C)C)[C@H]2C1 1784024787 HTHNBIHCLLPXIM-CKJXEIKRSA-N 447.536 0.507 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4ccoc4C3)[C@H]2C1 1784235752 OWITVYAPRXGQSB-LXZJYRNTSA-N 446.548 0.737 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788523677 ANAJJFYWEVUWLN-NRDMVMEKSA-N 426.322 0.728 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788565467 LGNWWZXWGLHTLH-MOLYVOAJSA-N 437.310 0.364 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1Cl 1789452054 STNCVXMHGAIQQG-QSFXBCCZSA-N 442.708 0.927 50 20 ICGD CC(C)c1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)co1 1791288868 YXKKTFRCRYTQOO-ZOBUZTSGSA-N 435.525 0.764 50 20 ICGD COc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1792830706 RWWZIXRRAVEPIW-YDGKCNFYSA-N 446.548 0.761 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C 1793831272 UNTOSEQFFYFHKY-WPVAHCMFSA-N 435.952 0.887 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797005177 CWPAWOFSVFNWED-GFQSEFKGSA-N 440.273 0.931 50 20 ICGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn1 1798439408 ZHPUOMRRZVYBNN-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](F)Br)CCC2 1799346479 AAMPGGANFFKBLE-YJKIEOBBSA-N 429.290 0.803 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCBr)[C@H]2c2cccnc2)O1 1803642030 ADZFZHLUDGZMLG-YDHLFZDLSA-N 425.283 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncccn2)[C@H]1c1cccnc1 1805781458 HHOFXDFJTXUZBT-QFBILLFUSA-N 425.493 0.564 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369498 MJLMBLGFNQBGIU-DENIHFKCSA-N 447.304 0.286 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810973972 CCIYVZMMHAVRRH-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1811471626 KWXKAHDDHBLKKU-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336005 WMNZZPNIOMLQJY-SWLSCSKDSA-N 427.291 0.087 50 20 ICGD Cn1cc(F)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340924 QZGSTATVIYZNMO-AWEZNQCLSA-N 442.281 0.840 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360052 KMAKFFQLMSAXAG-SWLSCSKDSA-N 430.339 0.389 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820880987 KXAGLMLCYVTADM-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)N1CCN(C)CC1 1822683107 IPQQSSHVQJCIAQ-YRGRVCCFSA-N 429.974 0.291 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)CC1 1826661224 XPJUJWJXHSVWRX-QZTJIDSGSA-N 442.520 0.197 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1829657821 CEUSCTZDBKKEJP-KXBFYZLASA-N 446.495 0.251 50 20 ICGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc(Cl)cc1 1830683128 SQAKBCGVTRIEDR-DNVCBOLYSA-N 445.299 0.579 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832908575 LOTKZRJAEGUZHW-FXAWDEMLSA-N 441.912 0.079 50 20 ICGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834080711 IBPXYYUSKZWWBP-INIZCTEOSA-N 427.933 0.214 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835862712 SMMXCRMFLRJWKZ-YLJYHZDGSA-N 425.913 0.463 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835976133 JJCJYHIQSHXBFD-PBHICJAKSA-N 435.308 0.247 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cncn1 1838789514 RMLYUZVCUMBAHR-INIZCTEOSA-N 449.556 0.211 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838808487 ABHXQAIRFFJEHH-XLIONFOSSA-N 442.944 0.696 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839197462 XJERKWBOUOEQMF-PBHICJAKSA-N 436.322 0.475 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839201520 ZXCCCVFTLONICH-CZUORRHYSA-N 431.262 0.546 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840036093 DYHILYCFIHENJB-HBUWYVDXSA-N 443.342 0.992 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840036105 FLXBJCAWUIRJQQ-CXAGYDPISA-N 443.298 0.095 50 20 ICGD CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840564478 ZVOGABZYHMZCDC-QAPCUYQASA-N 434.375 0.814 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841887313 HVENMRXBSQJTKP-NRFANRHFSA-N 433.317 0.240 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1842912535 ZSUQOOMDXOREKU-ZIAGYGMSSA-N 432.949 0.686 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccn1 1843011838 YYHLIIGCMYDIHL-UHFFFAOYSA-N 437.261 0.069 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847059688 CDIAXPXNFOXGSU-MRXNPFEDSA-N 435.289 0.002 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847513594 PJDBODNLHGPTBA-VOAKCMCISA-N 434.331 0.857 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(N)=O 14499807 OSFHNMPGWJZWES-UHFFFAOYSA-N 434.836 0.921 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)c1cccs1 725740332 CWVGABQWDJSTOV-MRXNPFEDSA-N 427.486 0.854 50 20 ICGD CO[C@H](C)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726713291 FGAFGEWOUKYDRW-OAHLLOKOSA-N 442.538 0.396 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1cccc(OC(F)F)c1 728485168 RAGGMYSJLPCLOK-UHFFFAOYSA-N 445.400 0.977 50 20 ICGD CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)CSc2nnc(O)nc2O)cc1 729635235 JPNPNWGDEMMIKC-UHFFFAOYSA-N 426.480 0.677 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1ccc2ccccc2n1 732474106 GVTQNOOZTCAPJL-HNNXBMFYSA-N 435.506 0.667 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744633350 MKBAPUALOYFPQG-UHFFFAOYSA-N 440.437 0.088 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746098152 HGFHTQIDSLFCPL-ZPWNPBNNSA-N 431.445 0.406 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 747359275 FXUKTCOEZLEILM-UHFFFAOYSA-N 434.865 0.858 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747437636 MMHGCKPZCVOGDB-NSHDSACASA-N 430.483 0.963 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 751209549 RRVLFMZTSZVQAE-UHFFFAOYSA-N 426.476 0.317 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cc2c(cc1OC(F)F)OCO2 756931432 IZJWNZOJLUNRBJ-UHFFFAOYSA-N 426.332 0.870 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1C 760516476 VQGDMWMDFPNFDQ-UHFFFAOYSA-N 436.494 0.218 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cc(F)cc3c2OCOC3)ccc1Cl 761461552 AGWDUUQTACSLBZ-UHFFFAOYSA-N 443.840 0.997 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 762360973 IWSFWWZUYJBTSG-LLVKDONJSA-N 427.508 0.035 50 20 ICGD Cc1cncc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 763508515 NMNYSMCEKAJXQG-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(Cl)c1-n1cncn1 763579593 ZWJULHHBKWGKOO-OAHLLOKOSA-N 442.819 0.847 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1 763977232 JZSWANFVTWUSKA-UHFFFAOYSA-N 437.840 0.940 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1C 764161927 XPHYXTQANCMKRB-UHFFFAOYSA-N 434.474 0.458 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(=O)n(-c2ccccc2)n1C 764169065 SVNCKXMLWCGNQB-QGZVFWFLSA-N 435.440 0.574 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)cn1 764279096 YKIBPTQTXQIKHC-UHFFFAOYSA-N 428.218 0.831 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 764285589 HBFRQZXXOPBVFU-UHFFFAOYSA-N 446.467 0.870 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1-n1nnnc1C 764365780 AZYDHSKHTSVBIQ-UHFFFAOYSA-N 439.432 0.282 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cnc(C(C)C)[nH]3)CC2)cc1 765126044 GZCBEIGOPBDKCA-UHFFFAOYSA-N 434.566 0.969 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNc2cnccn2)c1 766260500 PAFDHYHYGSRWIN-UHFFFAOYSA-N 441.185 0.950 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 767272202 CZRFXRRBNKJCNZ-UHFFFAOYSA-N 433.486 0.806 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 768846880 CMORXMHZWYTIDQ-UHFFFAOYSA-N 446.532 0.096 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)C[C@@H](C)O1 768930490 SUWVBKDZOQTSSA-PZPWOCDFSA-N 437.541 0.524 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1 771439046 AOBRFMMKVIEWSD-UHFFFAOYSA-N 429.499 0.398 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 772076611 QWQDHFVIVRJEHV-GFCCVEGCSA-N 427.479 0.120 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 772192106 PCCHUYXTQPZNNW-MRXNPFEDSA-N 433.509 0.636 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CCCCS1(=O)=O 773393077 NCVCSRPXQZHEBK-QGZVFWFLSA-N 442.969 0.572 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccc([N+](=O)[O-])cc2Br)C1=O 779144880 APDIPDZJYUZBOL-UHFFFAOYSA-N 426.183 0.777 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 783037270 PCUKZBZMSZGDAJ-KBPBESRZSA-N 430.465 0.609 50 20 ICGD CCc1nn(C)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230908 UUEVEBLMIATYPE-UHFFFAOYSA-N 449.537 0.000 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)cc1 784971301 XZEDORPNOZDGHG-UHFFFAOYSA-N 449.537 0.949 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2nc(O)nc(O)c2OC)c2ccccc2c1=O 788626172 VVCXOIJTVBSMKE-UHFFFAOYSA-N 442.432 0.871 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2nnnn2C2CC2)cc1 790715098 OUNHUHZYUPDKIQ-GFCCVEGCSA-N 436.498 0.029 50 20 ICGD CC(C)[C@H](NCC(=O)NNC(=O)c1cccs1)C(=O)N(C)Cc1nnc2n1CCC2 791624021 KVXSFZVARRZYKC-KRWDZBQOSA-N 433.538 0.320 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc2[nH]1 792354792 LOCGQVRTPZRXTD-UHFFFAOYSA-N 437.412 0.698 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1I 793383321 AQGSKMZXNUHZQI-UHFFFAOYSA-N 425.248 0.835 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1OC 799858006 YNYPCEMHNLVHFY-WCQYABFASA-N 444.510 0.374 50 20 ICGD Cc1cc(I)cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 806683081 YICFSCYEUMTWSV-MRVPVSSYSA-N 440.263 0.690 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 809980643 RZHVHFSPYFQFGD-AWEZNQCLSA-N 449.537 0.237 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813034025 VQPULDHUEQRGOB-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 815691122 FWGVKZKEEYGHFM-JTQLQIEISA-N 445.386 0.776 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 815779656 PQGHMSMGSAAYPB-CQSZACIVSA-N 430.417 0.170 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 863999814 ZAZPMNPFXQIGHP-UHFFFAOYSA-N 425.438 0.925 50 20 ICGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 915045007 OFZPFULJQJXJNS-UHFFFAOYSA-N 444.491 0.599 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1n[nH]c2c1CCC2 916092768 FSFIENYDKOXGJQ-UHFFFAOYSA-N 447.517 0.313 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cc[nH]n1)N(S(C)(=O)=O)CC2 916159019 DPOMEYYMZGSVGB-CQSZACIVSA-N 437.478 0.137 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CCN1 916391992 PMKILXBTMYCBND-UHFFFAOYSA-N 440.416 0.311 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 1317716339 PZHIFCKUSVGQIR-UHFFFAOYSA-N 437.474 0.842 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2cccc(Cl)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1317731673 BRKPWVBWDHTPDW-LLVKDONJSA-N 443.938 0.924 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)[C@@H]1CCS(=O)(=O)C1 1317990356 OVRDLXFBMXCSHK-CYBMUJFWSA-N 427.504 0.099 50 20 ICGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cn1 1321919466 CQSWLICPUHJBOH-HNNXBMFYSA-N 449.512 0.503 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779076352 YFPJOAJKMCCFJK-LPHOPBHVSA-N 444.557 0.163 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1782001200 BAHRUENMAQKKFM-KYZVSKTDSA-N 430.343 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(F)c[nH]2)C1 1782046437 KVZOMWDWZRUHFU-DYESRHJHSA-N 444.467 0.594 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214535 UTEFLAPUZYTXQQ-SPYBWZPUSA-N 432.949 0.127 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21)[C@H](O)CCl 1784092239 KJIFTKUAIGHOJZ-FATJJJSSSA-N 442.303 0.576 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784660098 KHRFGUMFWIOCIF-UHXUPSOCSA-N 427.299 0.807 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1785360177 OVPZLVJVFYRNKW-NRFANRHFSA-N 438.475 0.710 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729348 ALALQILKDBZLSB-QAETUUGQSA-N 445.402 0.387 50 20 ICGD Cc1c(F)cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978683 LDRWAYFDOXOOCA-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)cn1 1787251468 BPDPSHVAGMZTDQ-QCEMKRCNSA-N 447.916 0.754 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)Cn3cnnn3)CCC2)cc1 1789522474 HLMRBPHTZQKGBB-UHFFFAOYSA-N 435.448 0.120 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791708006 WQVCGKGKRRIBOL-DKIMLUQUSA-N 434.541 0.105 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)C2)[C@H](O)CCl 1792978901 QTDPATATMQGXEE-CCVPWINHSA-N 441.315 0.948 50 20 ICGD O=C(CCOc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795118153 FTSUGQBXOZIRLV-OPMZPASUSA-N 438.289 0.039 50 20 ICGD Cc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733062 ZEBAYIMOQZMTIX-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1ccc(O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797753127 UURVCQLZLYHLDW-HBCWATKFSA-N 439.472 0.216 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1-n1nccn1)C2 1802337818 ASDUOYGOGWGWMV-BJWYYQGGSA-N 439.520 0.892 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803232084 JQTATIXBVFASBR-SXLOBPIMSA-N 425.294 0.098 50 20 ICGD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803298405 SYDPDJJPKKNBPR-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnco2)[C@@H]1c1cccnc1 1803863275 QPSJNAZGHPNADY-KSSFIOAISA-N 435.444 0.702 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1805949423 VTSULINWXFSSNC-XLIONFOSSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116553 WNKFPXWZVKSTNY-DYESRHJHSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360391 KOCUELFIZDMZDU-BEFAXECRSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364095 PBAXEASGMUQUHN-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807374471 HNJCYCXZNHOOAW-AVRDEDQJSA-N 447.304 0.355 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814887242 SJVPJDGSMZBDTH-RTBURBONSA-N 439.325 0.880 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2)c1cccc(B(O)O)c1 1815354951 IWZXUAYYFLUMLA-LLVKDONJSA-N 429.292 0.214 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)n(C)n2)n[nH]1 1816124799 PPCQEAUJLLWUHD-AWEZNQCLSA-N 432.485 0.528 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801148 ZKMXTFCRCZVDIP-RYUDHWBXSA-N 445.549 0.708 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)COC1 1824911832 WPZWLOHJUWLTDH-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD COc1cc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830733745 SIKKUCKEWZNGSD-KXBFYZLASA-N 448.850 0.643 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831653914 GOOGQTSUYABHQF-UEXGIBASSA-N 445.004 0.486 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831835542 YBMMXOYVKUSVDK-HUUCEWRRSA-N 431.917 0.403 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832611278 WEYKUZFSXPQESM-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CN1 1834424296 PFCVGANJZXFRSH-CYBMUJFWSA-N 429.359 0.479 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601343 HRFVKQNGBVJBHV-FZKQIMNGSA-N 443.294 0.741 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835781007 IXCMEIGIMGPRBV-PYIGHKJLSA-N 437.924 0.992 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)n1ccccc1=O 1835822338 YYRURTGYQMMMCQ-CRAIPNDOSA-N 438.956 0.581 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)nn1C 1838279470 CJFTXWCXPXSBMO-BEFAXECRSA-N 428.917 0.306 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838883452 GFKATVJEMZXEKX-JXFKEZNVSA-N 426.897 0.755 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(O)n1 1839200112 FRAVKXRMZRBMGW-CXAGYDPISA-N 446.273 0.856 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839964481 SQBCWRFUYLFHCS-CRAIPNDOSA-N 443.342 0.593 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840036895 RZBVGGMISFGCPW-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD Cc1ccc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840187315 RYXMHKYULCDRRG-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2cc(C)n(C)n2)C1 1841457297 ILASVIJHHNOHAQ-HZHRSRAPSA-N 425.493 0.608 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 728204233 ZEGUCVOPBOHVEA-YOEHRIQHSA-N 445.497 0.732 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1CCN(C)CC1 729046749 FMJKBWMMAPYWKY-GOSISDBHSA-N 432.573 0.295 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730322262 JWHFWHUWYPPVMQ-PTJCHJMSSA-N 440.547 0.942 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)C(C)C)CC2)cc1OC 735519689 VTLLMTQBDKIYQE-UHFFFAOYSA-N 428.511 0.843 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)nc1 737058230 XZHGKNPSUSEKCC-OAHLLOKOSA-N 440.570 0.895 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 739670576 JSRNQDRIWOIICV-MRVPVSSYSA-N 444.272 0.035 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 742672642 SEJGYISLMGIBID-UHFFFAOYSA-N 427.442 0.206 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccon1)N(S(C)(=O)=O)CC2 747206675 JXQKZPXGKUVMPX-AWEZNQCLSA-N 438.462 0.402 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OCC(=O)O 751283085 UAJNSHNCLWMBKC-UHFFFAOYSA-N 427.460 0.259 50 20 ICGD CN1CCN(c2ncc(C=NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cn2)CC1 755551165 JSZFSXASPPEKGD-UHFFFAOYSA-N 437.913 0.293 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 755927833 WMVJNFQNYLWUES-UHFFFAOYSA-N 440.522 0.995 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 756837559 HPOCWBITYHASHY-STQMWFEESA-N 445.436 0.894 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(Br)cc2c1OCC2 758152448 YZGIBGAPNIWFDT-UHFFFAOYSA-N 444.263 0.717 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCN2CCC(N(C)C)CC2)nc1 759594851 HVGLARWCKUJDPD-UHFFFAOYSA-N 427.575 0.420 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 763732160 DINVHMUIBFMRKM-UHFFFAOYSA-N 429.458 0.273 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 763860425 GWSDACBIFDJAGL-LLVKDONJSA-N 432.408 0.877 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 764226610 JEWOBOMUYYBHQN-LLVKDONJSA-N 445.929 0.354 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764277280 ARPJMOXHKROSHA-UHFFFAOYSA-N 428.401 0.822 50 20 ICGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1OC 764297386 QIXOTXAGTOHIDN-UHFFFAOYSA-N 426.227 0.518 50 20 ICGD COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)cc1 764426644 VPVLFVZMIJDNLF-QGZVFWFLSA-N 442.428 0.449 50 20 ICGD CO[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCOC1 764810296 KYYMHRRDLPAAQJ-LJQANCHMSA-N 440.522 0.611 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 765729314 WPGYEQKTGGBLHN-UHFFFAOYSA-N 439.259 0.131 50 20 ICGD O=C(NCc1cnc(N2CCOCC2)c(F)c1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 765894348 VYELWAKHSURBIR-UHFFFAOYSA-N 434.384 0.815 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3c3ncccn3)CC2)cc1 766649384 ODOYOOPWMMZITC-FQEVSTJZSA-N 437.548 0.719 50 20 ICGD CCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766659870 HHIMGDOEKWLELU-UHFFFAOYSA-N 430.958 0.430 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(S(N)(=O)=O)ccc1Br 770246443 RZQODBHLURRKPB-UHFFFAOYSA-N 427.371 0.568 50 20 ICGD CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc2S1(=O)=O 772035493 IMPQRJOQYSZROG-NSHDSACASA-N 425.463 0.590 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cn1 773762363 YEVKTJQBIPPDHH-UHFFFAOYSA-N 428.371 0.746 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 777767631 HGUVHLGOQXOJFB-UHFFFAOYSA-N 426.503 0.145 50 20 ICGD Cc1nn(CCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c(C)c1[N+](=O)[O-] 777779464 LSTCUQZDUIOEJW-UHFFFAOYSA-N 438.304 0.625 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780537470 FJFJRAUJGKGUOZ-AEFFLSMTSA-N 435.477 0.730 50 20 ICGD Cc1nnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 780898253 YFMLKHYHNUTTOA-UHFFFAOYSA-N 426.528 0.004 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc(Br)cnc1-n1cccn1 782065842 HQQAGEPKXSOPLH-SECBINFHSA-N 443.283 0.617 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ccc(OC)cn3)cc2)CC1 782146095 XFUVYLAWQVDRTR-UHFFFAOYSA-N 440.504 0.879 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782702866 SEVZLMZQJMMRKN-MRVPVSSYSA-N 445.910 0.487 50 20 ICGD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967572 UEWWCZRZPONXLH-UHFFFAOYSA-N 427.255 0.601 50 20 ICGD CN1CCC(n2ccc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)CC1 786701514 BRMADVPAGYWGQS-UHFFFAOYSA-N 449.537 0.867 50 20 ICGD COC1(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCC1 790783551 FKJGLKMKHRMAGQ-UHFFFAOYSA-N 438.550 0.408 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 794599041 TXDFFYQZPHIZKP-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1OC 795821846 BTZXCDKTDYMRRN-UHFFFAOYSA-N 443.865 0.802 50 20 ICGD C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NNC(=O)CNC(=O)c1cccs1 799911353 CAFCDNSADAFRDB-LLVKDONJSA-N 439.519 0.559 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1 800318018 VLLLVLUZUBFQKM-CQSZACIVSA-N 427.527 0.561 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1 804957845 VUYYKTOFHHQAJP-UHFFFAOYSA-N 430.450 0.749 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)COc1cccc(C)c1 806973982 ZXZDXIGCKJMGIU-UHFFFAOYSA-N 449.485 0.713 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1 807457367 ZNFGPSTVLPCAHE-UHFFFAOYSA-N 443.416 0.817 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(Br)n1C 808068631 DGCNNYWLFPNFCB-LLVKDONJSA-N 431.268 0.641 50 20 ICGD N#Cc1cncc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 811689460 DJKQTVLFBOVGGH-UHFFFAOYSA-N 448.936 0.734 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 814294612 NKKJKGNXXGRRHK-GFCCVEGCSA-N 443.229 0.975 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cn(Cc2ccccc2)nn1 815567484 AIQVCCNVQFXBJL-UHFFFAOYSA-N 432.238 0.817 50 20 ICGD O=C(Cc1ccccc1)NCCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 830944442 MWVGQEOTONZWCS-SFHVURJKSA-N 441.440 0.266 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)c2ccc(F)cc2)c(=O)c2ccc(C(F)(F)F)nc21 915795144 XFICJJJDTDQYFS-UHFFFAOYSA-N 439.325 0.714 50 20 ICGD O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916578146 VKKXKDHPWNUBBL-HNNXBMFYSA-N 435.550 0.899 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 918776178 IYJZNUWNKCCHGH-UHFFFAOYSA-N 438.897 0.851 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=O)CN3CCCC3=O)CC2)cc1 920371097 PNILQFNYDHYTBC-UHFFFAOYSA-N 435.506 0.524 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@H]1CCS(=O)(=O)C1 920815035 HSZGHHINDMJXLW-FVMDXXJSSA-N 429.907 0.851 50 20 ICGD Cc1csc([C@@](O)(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C(F)(F)F)n1 1322132714 FVASJIKFMCBIQV-PELKAZGASA-N 430.430 0.109 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257747 NOXVECFIZQCZJH-CRAIPNDOSA-N 431.375 0.095 50 20 ICGD Cc1ccc(O)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780565256 LDBSDVIYZBYGRC-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331887 RMUIWXMUOQMSIX-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1782175577 NREFDCWEXQKWIR-SNUQEOBHSA-N 428.921 0.087 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214697 YSENNCSZXUGXHG-JBYIUTFZSA-N 448.568 0.406 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1783312056 UKGIDJLWXVMJKE-KOSHJBKYSA-N 436.317 0.922 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783349977 XRHLHMPQZNLJHD-MEBBXXQBSA-N 430.259 0.935 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1783884501 STRQYZGJGRKHII-WJPUGNRLSA-N 437.924 0.889 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1783933970 PNSPZCRANZMIOD-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643412 IPTDDTRPCRXQBI-XEZPLFJOSA-N 436.541 0.620 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981998 VXGLCXLHFNACTE-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787440128 KPORNDDPBNMGIQ-RVOMIOKESA-N 433.292 0.717 50 20 ICGD Cc1ccc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789487793 PPYQBBILRBFOHM-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1790587799 MQZALBFGIBCYJU-ABHRYQDASA-N 443.331 0.983 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1790960990 HDLFYTOLDTVAMJ-MNXVOIDGSA-N 429.315 0.893 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289011 AYKXUWQHSQKODN-CAMMJAKZSA-N 446.552 0.235 50 20 ICGD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792866823 LJZNUMZXSHTGTB-MMWGEVLESA-N 432.344 0.814 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2)[C@@H](O)CCl 1792978622 JHZQPEPLCIVZGE-ZMMAXQRCSA-N 436.940 0.487 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1noc(-c3ccccc3)n1)C2)[C@@H](O)CCl 1792979147 XORAFQIGBZSMQQ-RCJHGTSTSA-N 448.907 0.859 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(O)nc(Cl)c1 1796188388 XVALVZSARVPIKO-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)cn2[nH]cnc(=O)c12 1798466358 BNKABLIMJVHUSW-PEGIJTEDSA-N 428.276 0.338 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803135906 KGWQFAUTOAIEMW-MIGQKNRLSA-N 446.957 0.015 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804415377 LIHVLCIQGXOHDR-YSVLISHTSA-N 436.856 0.492 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccco3)C2)CC1 1804891754 BKINRAWRGNPXIL-SFHVURJKSA-N 441.488 0.857 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805868918 GBWSQYMLZRXBSN-OAHLLOKOSA-N 444.536 0.445 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806852756 PNFRLQATPCMTTK-CHWSQXEVSA-N 443.342 0.989 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813071186 PQRAVWUGXRAQFZ-UTKZUKDTSA-N 441.536 0.991 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@@H](CNC(=O)C(Cl)Cl)[C@H]2c2cccnc2)N1 1813075996 NBCUPUFLJCBYMN-GMXVVIOVSA-N 428.276 0.489 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815267434 OXOLAEOUONITQX-LBPRGKRZSA-N 445.549 0.756 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)c1ccccc1 1815339983 YXTSNBLNFWWPAP-INIZCTEOSA-N 449.297 0.932 50 20 ICGD O=C(CC1(O)CCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361356 AADIAWDTRSCNHX-AWEZNQCLSA-N 429.307 0.354 50 20 ICGD CCn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816559247 DPURKXXQJTVBSM-QGZVFWFLSA-N 436.281 0.926 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)c1cccc(B(O)O)c1 1817473109 GDKMOCVPYTUFKQ-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817477044 XGJWTJQIGVBWNS-VQIMIIECSA-N 439.325 0.737 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cnnn1 1822864407 SQROCDSKTPITJX-TZMCWYRMSA-N 432.489 0.023 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826000608 YMYFNTABUHBHCL-BDAKNGLRSA-N 427.918 0.642 50 20 ICGD COc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080518 PCOOOAZUIQIFDF-LLVKDONJSA-N 447.521 0.541 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 1826612714 XUMRODBLJMYANO-LBPRGKRZSA-N 434.526 0.110 50 20 ICGD CC[C@H](NC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926996 WYQPJVHREKKEIS-OALUTQOASA-N 430.553 0.916 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1829859755 JVAGRSMMSWIOAS-WOSRLPQWSA-N 438.294 0.048 50 20 ICGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830358334 AIYLGXBCRDVSIK-OAQYLSRUSA-N 445.004 0.345 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccn12 1830727997 MQRVKARXNWXBQH-YWZLYKJASA-N 436.896 0.312 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839156637 WJZJGQYHCHWENE-HZPDHXFCSA-N 445.365 0.114 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351166 UEDOALHNHVLIRL-NRFANRHFSA-N 449.580 0.707 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839964760 BSKVWRONPCCVDA-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840032089 NQIAVNBPTLMCLY-BMIGLBTASA-N 433.328 0.579 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840151415 AQXQNESGCGAQAE-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840155033 NNIRRFSEUOPSEG-RCBQFDQVSA-N 431.744 0.933 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1840369732 NJQZESHNSKMHLI-GUYCJALGSA-N 430.299 0.765 50 20 ICGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840384310 XUXGXGLBQGYDIY-RDJZCZTQSA-N 447.305 0.810 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840490321 YETRMFPTUVSJJQ-KBXCAEBGSA-N 443.342 0.994 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cn3ncccc3n1)C2 1843416082 WTNFLWPLHYHHEB-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1844264410 POSYSQWSHSRYBG-YBEGLDIGSA-N 446.467 0.538 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C#N)c1 1845138537 NOOVVYCXMAZOLO-UHFFFAOYSA-N 433.273 0.306 50 20 ICGD CCn1c(CCC(=O)NNc2nnc(C)c(O)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 23309714 NHWJASSZKMRHPH-UHFFFAOYSA-N 448.509 0.581 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 726084064 NIXIXMUDHVELDL-INIZCTEOSA-N 431.518 0.709 50 20 ICGD O=C(COC(=O)CN1Cc2ccccc2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 730057338 OKEYLZVLPBLURX-QGZVFWFLSA-N 425.397 0.173 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)c1 730068576 WAFUMGUJJDQZBW-UHFFFAOYSA-N 427.255 0.941 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 731490997 GOIAPYZLZKWNIB-UHFFFAOYSA-N 435.238 0.362 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cccc2ncccc12 732080711 MNTQIZKAAYNJLW-IBGZPJMESA-N 425.489 0.709 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] 733365171 VFWDSGGQHUDYEE-UHFFFAOYSA-N 438.400 0.980 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1C 734676556 SEQUILIPABUGEO-UHFFFAOYSA-N 437.453 0.559 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)NC)c[nH]2)cc1C 736778576 RRGDYWFCDVWAAZ-UHFFFAOYSA-N 428.492 0.473 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 740903952 XGJHVATWVOOMHU-OLZOCXBDSA-N 445.567 0.588 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 742028474 NOQHFCNETNOTLO-GFCCVEGCSA-N 447.926 0.514 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 746098056 QJIUGRDMGFFWLK-SFHVURJKSA-N 447.451 0.788 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746200608 NSOIGMJHYLUQDS-RGVDIWCNSA-N 448.501 0.121 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cc1 747663347 INCLBMYMGPHMAU-AWEZNQCLSA-N 447.517 0.859 50 20 ICGD CCc1c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]c(C)c1C(N)=O 747728062 SGXGLBDONBHFAO-UHFFFAOYSA-N 447.517 0.844 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C(F)(F)C(F)F 749336060 ZTFCZPCJVJMCSJ-UHFFFAOYSA-N 441.403 0.688 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 750268383 RWJXJIIZFVIHHR-OAHLLOKOSA-N 430.469 0.958 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 753659606 GYFDJHASXTXWNC-KBPBESRZSA-N 428.511 0.465 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)CCN2C(=O)c3ccccc3C2=O)cc1OC 754364306 ZOOCGCYFQZDNJW-UHFFFAOYSA-N 440.456 0.693 50 20 ICGD CC(C)(CO)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 754915828 IEIZFJOFIUQNGI-UHFFFAOYSA-N 442.538 0.450 50 20 ICGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 755038986 BTKOJQNMCSMIIA-UHFFFAOYSA-N 444.451 0.957 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(Cl)cc1F 755965199 GRBHKDJESVFDIJ-UHFFFAOYSA-N 433.801 0.598 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)co1 756143985 UCPVHOBVQRIGHZ-UHFFFAOYSA-N 430.464 0.400 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)o1 756759157 IRFIMVXRJNTBGW-UHFFFAOYSA-N 426.499 0.829 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)c1=O 757781661 UBKFYWZNYAWEJN-UHFFFAOYSA-N 442.881 0.778 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 758692193 IWZVRQOHXZLAPS-UHFFFAOYSA-N 446.445 0.589 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 760279371 NLMJUKBRVAKAHE-HNNXBMFYSA-N 437.416 0.205 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1 760967537 AVQYTAGHHBOARY-PBHICJAKSA-N 431.493 0.933 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c1 762742800 AFHCMVSBZOHEPT-UHFFFAOYSA-N 429.252 0.575 50 20 ICGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574573 FGGWKSMMILOOEF-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763757547 JICFTBDLRNKMKK-UHFFFAOYSA-N 449.489 0.334 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763807435 BUZLVCGKOCYGEQ-UHFFFAOYSA-N 425.445 0.664 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763841930 VDIWQVXOKQZBJE-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 764401198 NXDURFJUYSEIAX-UHFFFAOYSA-N 431.474 0.502 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 764427862 DEJCIWPLMCYHTM-GFCCVEGCSA-N 428.232 0.680 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)Cn1cnc2ccccc21 764533156 IUHMIBYECVSJCJ-UHFFFAOYSA-N 435.488 0.708 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 766650251 JEDWZTOLKOPYGF-UHFFFAOYSA-N 445.520 0.649 50 20 ICGD COc1ccc(NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c([N+](=O)[O-])c1 768331615 ITRVRYKAQBNZBD-SNVBAGLBSA-N 425.423 0.212 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 768637348 FLKAHZFRRNBDFE-IBGZPJMESA-N 432.458 0.910 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@H](Cc3ccccc3)CN3CCOCC3)nc21 770395383 PZBGNUWHEQOQIM-OAHLLOKOSA-N 426.481 0.639 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775706906 JPCKEWZZROFXAQ-BBRMVZONSA-N 425.401 0.430 50 20 ICGD Cc1n[nH]cc1-c1nnc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)s1 782093448 QWAGINMSDYRELZ-UHFFFAOYSA-N 425.434 0.950 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427898 TXSPDWXWXNNJAH-QGZVFWFLSA-N 429.520 0.939 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004459 XJKQHAGDMSUHFY-UHFFFAOYSA-N 438.487 0.058 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cnn1-c1cccc(C#N)c1 785991344 QKLZMUHHXIWDAJ-KRWDZBQOSA-N 426.433 0.198 50 20 ICGD O=C(c1cnnn1-c1cccc(F)c1)N1CCN(S(=O)(=O)CBr)CC1 790014012 PZYUNXYXQHYIDL-UHFFFAOYSA-N 432.275 0.846 50 20 ICGD CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 790103231 CDGDJDAPGXBBGZ-UHFFFAOYSA-N 436.494 0.129 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1 795151566 JGLRHGSDKROFQM-UHFFFAOYSA-N 427.508 0.339 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1OC 796127322 OYWHCRDHPZPTPA-AWEZNQCLSA-N 442.538 0.068 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 797534985 IWCGDFNTHPNGIT-UHFFFAOYSA-N 428.445 0.702 50 20 ICGD COc1coc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1=O 798980195 HCWKHSCIPBUAKN-UHFFFAOYSA-N 434.880 0.881 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)Cc1cn3ccccc3n1)C2 807514948 UCRQLDYYPORYFQ-IRXDYDNUSA-N 427.509 0.291 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810386090 LVVFMCFMYGDFTE-GFCCVEGCSA-N 437.391 0.831 50 20 ICGD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)CO)c2)c1 810390348 SHAYFHUAVAVXKU-UHFFFAOYSA-N 428.401 0.194 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCc4nnn(C)c4C3)n[nH]2)cc1OC 810583539 BNTUQOULAWANJO-GFCCVEGCSA-N 425.449 0.789 50 20 ICGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693033 JWKZLDXOWDHMCJ-CYBMUJFWSA-N 430.465 0.814 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815752247 KLZINDMPGNTKBG-UHFFFAOYSA-N 449.533 0.959 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NCCNC(C)=O)c2)cc1 915894651 MUHIISOCMGCYAR-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN(C)c3ccccc3)nc2)CC1 916226486 YOOCULCLJNSPNU-UHFFFAOYSA-N 447.565 0.780 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 916273643 PICPRJHBIYEISK-UHFFFAOYSA-N 434.474 0.689 50 20 ICGD COc1cc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(N)=O 916640658 HPMVACIGEGSRIE-UHFFFAOYSA-N 443.460 0.645 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 916650261 XNCGIFMLMGUBDW-UHFFFAOYSA-N 432.481 0.579 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)cc2C1 919691124 WBZJVSWNCWMLTB-JTQLQIEISA-N 429.502 0.837 50 20 ICGD CCCNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 921041628 GHTCYUJNUFVDMW-BMQCOBNYSA-N 446.551 0.120 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 921166786 QKLWHCZIWOBTQB-CVEARBPZSA-N 427.523 0.737 50 20 ICGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1116088556 WXMIKFLGYZKGNB-IBGZPJMESA-N 425.486 0.501 50 20 ICGD COC(=O)C(=O)NNC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1116745403 MXBINHXNQLFMGD-UHFFFAOYSA-N 431.243 0.081 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3c[nH]cc(Cl)c3=O)cc2)CC1 1327129958 LALMJIAWELTXFW-UHFFFAOYSA-N 425.898 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1779032734 XFBULDRPDTZXLA-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=COCCC1)C2 1779375990 UJDSHEYQMOHTEA-XMSQKQJNSA-N 443.504 0.507 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1780294812 PHODWCCPTWLRQL-OAQYLSRUSA-N 441.492 0.289 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C\C(=O)NC1CC1)C2 1782175333 HBSRBABMACXCKK-LBRALQKHSA-N 427.929 0.589 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1782865966 DCOXSORFGGDRRE-NPZXAABXSA-N 443.410 0.578 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(F)(F)C3)[C@H]2C1 1783457821 ZQEWSQDGGQVIAY-VGWMRTNUSA-N 430.496 0.775 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1783882234 PQCNGIRUIRZGBW-OTYXRUKQSA-N 425.795 0.521 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)[S@](=O)c1ccccc1 1784094299 MSFZWBPQFCYFIU-RPYVYUEOSA-N 442.965 0.762 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786984415 FMNFLWIZDWLCNM-VDGAXYAQSA-N 426.278 0.186 50 20 ICGD CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926832 GZOSENUKEJEYGT-MRBYEJRBSA-N 429.308 0.091 50 20 ICGD Cc1ccc(OCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1792711261 ABJGODZOPNQFOB-FEJSZKPUSA-N 446.548 0.727 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)n(C)n1 1792870173 JZYOWTKUSPWBGM-OHTBPHCPSA-N 429.315 0.663 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1793085524 JHPWRSFECCWOSL-NDKCEZKHSA-N 437.896 0.386 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794368202 DYDJRRCKMWGKJB-YDXZUZSKSA-N 431.276 0.614 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795583344 XPNKAPNPWJPCOA-ITGHMWBKSA-N 436.912 0.353 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)OCCO2)c1cccc(B(O)O)c1 1796718377 KSYQLERNFUGVJQ-BJWYYQGGSA-N 437.261 0.098 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1OC 1798895339 NBPSQIGPGPQDNW-VPTLXERWSA-N 448.520 0.280 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1799220543 BFTRAMIDYGLHNM-TWTQLAGVSA-N 446.460 0.495 50 20 ICGD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1801040937 TUAOMLFSYXBBLX-NASWQRNTSA-N 435.433 0.758 50 20 ICGD CSCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1802363787 IRTKKXMAHRCNCZ-QETPJRQFSA-N 435.550 0.873 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362250 JXINCYOQDPRIEZ-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365000 VXTYHYPUUFKNAX-YLJYHZDGSA-N 447.256 0.557 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807706510 KLXGJTFHOZDARL-YTFOTSKYSA-N 429.290 0.501 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810434083 XPDWNAWVFCZXPB-OZOXKJRCSA-N 439.321 0.895 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810646913 KAEXNMZRGCVGBB-NQIIRXRSSA-N 447.304 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1813069798 CRMVSFWIQLBWJO-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nccn2C)[C@H]1c1cccnc1 1813071260 RFYCIQFEZZCQBJ-LPHOPBHVSA-N 427.509 0.508 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cccn1 1813421406 CAITXIMLKUGARF-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3csc(N)n3)sc2C1 1815134460 PGDLWBYFOWVUEZ-SECBINFHSA-N 437.551 0.781 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361703 NTIQYACBWHSGDK-DYLGSBMWSA-N 437.290 0.485 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C1(O)CCC1 1817475327 NDDCUEXLKZPIQG-RDTXWAMCSA-N 440.309 0.947 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089643 JOJNBHFAQCRXQU-DGCLKSJQSA-N 443.595 0.542 50 20 ICGD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051158 ORYZNBNYSUIDEP-FQEVSTJZSA-N 432.326 0.263 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(=O)C2CC2)CC1 1828923685 SVSXTSVZKUMFOZ-SFHVURJKSA-N 427.505 0.898 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830738822 UVMWOVFUAPRNFN-UTKZUKDTSA-N 440.924 0.602 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945228 RLNTZCOENLTPFX-QAPCUYQASA-N 443.342 0.972 50 20 ICGD CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834807427 DPYALALBVOFFQO-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287388 ZUUVHZUGPLIYMS-HKUYNNGSSA-N 441.322 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835584481 DXLQMKSIFMGABC-FXAWDEMLSA-N 443.903 0.948 50 20 ICGD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC=CCC1 1835933834 GYJVRILXHPUHGH-PKTZIBPZSA-N 442.321 0.183 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1836202611 RADKXSXXCHNNMV-RHSMWYFYSA-N 429.315 0.431 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836904270 WCRMRHITCZTGEU-FZMZJTMJSA-N 432.315 0.877 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1836942059 XUBCFKUMTDYRHG-UHFFFAOYSA-N 448.524 0.167 50 20 ICGD Cc1c[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920209 IKRFYXLNXCPWRP-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033271 ZPFPYUAYSRCPRX-PXAZEXFGSA-N 446.298 0.674 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840034403 JUVYENUKKBFAPU-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840153822 ZTLKHZGRPRCZPW-VBKZILBWSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1840153975 GYGCGEJYLHNAPV-XLIONFOSSA-N 427.929 0.966 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201927 QRIDVLXOCZCYAM-LRDDRELGSA-N 443.850 0.529 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840485575 CUBSJSRFOWEUGV-KROLTMCQSA-N 439.310 0.731 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)[C@@H]2C1 1841353512 ANTDNUSPGFDKNA-LXTVHRRPSA-N 427.929 0.902 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354714 QLJPFVMQMMYBLA-STQMWFEESA-N 447.916 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1COc3ccccc3O1)C2 1844263569 RPDAANOZTWYTPC-GOSISDBHSA-N 437.456 0.342 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Br 1847512515 PDIONPGSPUGRPV-FIQHERPVSA-N 438.294 0.764 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 14854836 RLGWPJVTXDVBOX-UHFFFAOYSA-N 431.430 0.180 50 20 ICGD O=C(CN1CCN(CC(=O)Nc2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 23664075 HJPNXYABLKVKDN-UHFFFAOYSA-N 440.460 0.612 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(OC(F)F)c1 728510550 NMQKBLXKPLZNHM-UHFFFAOYSA-N 426.357 0.441 50 20 ICGD Cc1cccn2cc(COc3ccccc3C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc12 729275805 RQXSFLFZJBELGN-AWEZNQCLSA-N 445.501 0.920 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCCN1C(=O)CNC1=O 731045616 FMASXJOVOWWJNB-SNVBAGLBSA-N 442.270 0.489 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731986601 KWGJMKDAJIDENJ-JTQLQIEISA-N 435.418 0.431 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1Br 732048845 UEJIHSWNDVUPIJ-UHFFFAOYSA-N 431.268 0.518 50 20 ICGD COc1ccc(C(=O)NCCN2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1 732203797 IQNZMIBEEGXANR-UHFFFAOYSA-N 445.545 0.565 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732913893 GXTJLEOHDXYIQL-LBPRGKRZSA-N 431.419 0.565 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3cnn(-c4ccccc4)c3)ccc21 733122891 GSSIWDSLQLJBEG-UHFFFAOYSA-N 426.458 0.686 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cc3c(nc2O)CCC3)cc1 733651789 VCZLVYYPUWCHTF-UHFFFAOYSA-N 447.517 0.735 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccn3)n2N)cc1OC 735621065 YVMWCUIZGJPUEA-UHFFFAOYSA-N 429.462 0.624 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(NC(=O)NNc3cccnn3)CC2)cc1OC 736388870 WSYGBMVHTWWIKM-UHFFFAOYSA-N 436.494 0.973 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N3CCC(O)CC3)cc2)n1 740964333 YBSQDAFODLEREH-UHFFFAOYSA-N 432.502 0.960 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741173830 VCKMAQLQGGFMMW-UHFFFAOYSA-N 436.465 0.544 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(Br)ccc1O 743732525 ZBBVVGQQWCSLTO-UHFFFAOYSA-N 444.263 0.886 50 20 ICGD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744402231 KUDUUPCAERNOEF-XLIONFOSSA-N 440.548 0.632 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 744561235 NLBHANMIFDSXHX-UHFFFAOYSA-N 439.877 0.931 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 746197970 SLOHPVUEATYWNN-UHFFFAOYSA-N 430.490 0.862 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 747348834 SKRWJVNPUACDJG-QGZVFWFLSA-N 444.517 0.691 50 20 ICGD NC(=O)C1CCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 747583936 QJSGKURRRPRHKA-UHFFFAOYSA-N 437.522 0.459 50 20 ICGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 747597405 VHXODCHKYOYJBG-UHFFFAOYSA-N 430.446 0.689 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(F)cc1Br)c(=O)n2C 748076192 BDBDRFVYKKJZKX-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(I)cc1 751283004 SEZZHEHEVCLXBH-UHFFFAOYSA-N 449.226 0.624 50 20 ICGD O=C(C[C@H]1CSCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 751538510 JHJCJYJRMNVUCE-AWEZNQCLSA-N 445.588 0.707 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1F 752503941 RENNXXHUSRWEON-UHFFFAOYSA-N 433.421 0.056 50 20 ICGD O=C(CO)NNC(=O)c1cc(I)ccc1I 753439629 RIZCEKUYEFGWAQ-UHFFFAOYSA-N 445.982 0.649 50 20 ICGD COc1cc(C(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 755384493 POBOMLDCXCGZDJ-UHFFFAOYSA-N 427.435 0.631 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 755863537 OBDHGWUNJZBIBX-KRWDZBQOSA-N 442.428 0.511 50 20 ICGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc12 757671518 MXOMDFOOWVUHMP-LBPRGKRZSA-N 435.458 0.979 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 758050225 AAJWCAGULBRLPH-WCBMZHEXSA-N 437.305 0.431 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1 763535834 ZWOVHCUPOJHUDS-UHFFFAOYSA-N 448.483 0.955 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CCO1 763569585 AGHDJOQEONDLQE-KUHUBIRLSA-N 440.456 0.838 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)COc1ccccc1OCC(F)(F)F 763814279 MPPCAIHPBXLZRI-UHFFFAOYSA-N 426.351 0.979 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C1 763995419 HWWWDMWGPZZJBK-AWEZNQCLSA-N 447.517 0.845 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cnn(-c2ccccc2Cl)c1 764002620 OTZWMMBIMJENKF-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1SCC(F)(F)F 764002673 PRUHPSUVOUCVRZ-VIFPVBQESA-N 439.437 0.862 50 20 ICGD CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 764203059 FMAHKTAQQSDDKY-UHFFFAOYSA-N 429.271 0.663 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cccc1-n1cnnn1 764259640 LFAMGLNGXTURJD-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 764346066 SCGMUIAZIVODLN-UHFFFAOYSA-N 436.428 0.526 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1 764359948 QYGYLFWJJRVPEA-UHFFFAOYSA-N 436.494 0.144 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764369332 CVBWTPOGOXAVNF-UHFFFAOYSA-N 435.322 0.559 50 20 ICGD CCO[C@@H](CC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635628 BHIRGGJVYDDAFU-KRWDZBQOSA-N 426.539 0.264 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)n1 770040786 JDWSTISODCJXPF-UHFFFAOYSA-N 438.514 0.592 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)nc21 770365368 VICBHZBYIPDJGX-AWEZNQCLSA-N 440.464 0.804 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)COc2ccccc2F)nn1 773494258 QDQKDYIMSPBXSN-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD Cc1csc2ncc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n12 776463508 MTBMRTUJJHENIU-UHFFFAOYSA-N 431.386 0.591 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c(OC)c1 782121590 QSTPKOGMYGJOOP-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1nc2ccccn2n1 792391746 GUCJXKFJCJPUTD-UHFFFAOYSA-N 429.462 0.012 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 792778005 RKYAXOHRNUPCSY-UHFFFAOYSA-N 439.432 0.544 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 802064786 AOYJHDUMTJGWDK-UHFFFAOYSA-N 448.505 0.812 50 20 ICGD O=C(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1ccccc1Cl 808769136 UEBHFOKPOCBLRV-CYBMUJFWSA-N 428.942 0.895 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033713 IGBBLQNPKWQYNZ-UHFFFAOYSA-N 433.490 0.768 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2C1 815692020 HOSAMSQFFKEIFU-HOCLYGCPSA-N 439.520 0.987 50 20 ICGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779547 JZVHSEYTLADGEF-CYBMUJFWSA-N 430.255 0.739 50 20 ICGD Cn1c(CCC(=O)NNc2nc[nH]n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 816633299 WPEHEWKHUZQCGX-UHFFFAOYSA-N 432.510 0.942 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816827386 PSSBDKDZQCETTK-UHFFFAOYSA-N 440.489 0.797 50 20 ICGD CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)CCC[C@H]2C1 1117533361 ZLASMXWLPNDNPJ-ZNMIVQPWSA-N 436.538 0.571 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1778089984 BKGBKRFSZBPQHH-UKPHBRMFSA-N 439.937 0.460 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1F)C2 1778092751 OOUXCQPJONFOEL-VHYRFQQMSA-N 433.484 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1778637403 HMJOOJMCZZVXCC-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1780119368 QUMLXLJXXNJFQU-APWZRJJASA-N 440.884 0.704 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cnn2c1OCCC2 1781259012 BJEYKVIDYOYXNU-QMTMVMCOSA-N 426.901 0.393 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1783934616 JMVWGKKEQLWBLR-IBGZPJMESA-N 441.891 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1783936950 MBGLIKUVXVVSBT-CQSZACIVSA-N 429.732 0.560 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1783937271 RFJGGPDJXQKPLS-NRFANRHFSA-N 446.483 0.290 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785574912 ONXFJKGXFSPHTH-XQLPTFJDSA-N 426.901 0.646 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788565469 LGNWWZXWGLHTLH-PJSNJIKXSA-N 437.310 0.364 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC=CO3)[C@H]2C1 1788581714 WOXLCQKBKYYVDF-IAKWRSPOSA-N 443.504 0.793 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660699 GVHYQURHIDQWTJ-OFHBMXJRSA-N 431.917 0.749 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H]3CCOC3)[C@H]2C1 1791816380 RZURHVKMEJKUNH-PDWMJMLSSA-N 445.520 0.095 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1792867653 DVYVFXHQQZZCJI-FVCCEPFGSA-N 437.298 0.359 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(O)C1)NC(=O)NCc1ccccc1 1793016172 XQPIHSFAZQFSFC-NNUJQTDSSA-N 443.548 0.742 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccnc2c1 1797057150 SCLZMVGJFOMVGE-VPTLXERWSA-N 440.504 0.206 50 20 ICGD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c(C(F)F)n1 1797188981 UTZFTDXHXFTTNB-ZSBIGDGJSA-N 447.446 0.922 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798349182 VMQNBJUVSIHTNG-RNJOBUHISA-N 443.888 0.405 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)C(C)(C)C 1799342831 KUZNKACPGCUWEO-ITGHMWBKSA-N 436.322 0.817 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800757045 MALJNVXNNOTCLL-ZIEJDFEHSA-N 439.310 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1801009245 UMVWWMDEISVJBJ-DPIQGUFMSA-N 439.900 0.017 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803136826 WLEHBHWFAMXJDW-JKIFEVAISA-N 429.926 0.593 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccnnc1 1805487069 RLYXJAXGNDOUHT-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805650627 FEWXFJDUPVPNPF-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1)C(=O)O 1807201604 RVASZUMATWMGFT-CKEIUWERSA-N 441.326 0.935 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808212459 AUSVUYZLLKMNJG-FXCMJGPWSA-N 449.515 0.749 50 20 ICGD Cc1nnsc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808653313 KWPXVLJATYPMMC-CRAIPNDOSA-N 445.549 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1810301626 ARDUXMZQJGINIO-VBNZEHGJSA-N 434.859 0.934 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)C(Cl)Cl 1813082438 VNZLGHGEOXXEKE-MLGOLLRUSA-N 425.272 0.816 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Cl)[C@H]2c2cccnc2)c(=O)nc1O 1814038995 KCGQIPUQOIQYFS-BPUTZDHNSA-N 437.859 0.893 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)CC2)CC1 1814873841 ZVOWDDFOKPHEOQ-HZPDHXFCSA-N 438.960 0.782 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475875 XMQXJIFJSJYWCX-WMZOPIPTSA-N 428.298 0.802 50 20 ICGD CC[C@@H](NC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403062 UAVPKPOEIYKUEE-ZBFHGGJFSA-N 428.497 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccnn1)CC2 1819798143 ZCEVZFAEEWOHBV-JTQLQIEISA-N 438.473 0.471 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)[C@H](F)Br 1820936041 XYXSMXWVZXKUIM-WHOFXGATSA-N 448.293 0.743 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825179395 BFIIRBKIEQJILZ-IVWJEFBKSA-N 445.505 0.455 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccn(C)c1=O)CC2 1826082965 HDZRXCVIBXXUPW-GFCCVEGCSA-N 446.533 0.441 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1826098859 MOCAZAUNWPXXOS-LURJTMIESA-N 442.288 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829344277 YBRWSLRAZNRPAX-KRWDZBQOSA-N 441.492 0.661 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831655389 XZZLVEUMLPBDSL-AUUYWEPGSA-N 428.917 0.906 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297097 KHVUAUWQFTWYQB-QAPCUYQASA-N 448.358 0.485 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833533651 INCVYCKOTGXDFF-NQIIRXRSSA-N 445.004 0.616 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833619847 IUZAKNDRWXZYDW-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833768346 SFBJACBSYHDPFZ-KUHUBIRLSA-N 427.885 0.414 50 20 ICGD C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834797772 DGFMRRYNEHGPAT-UHFFFAOYSA-N 425.338 0.518 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1834822120 ALEPRCLYJIOTOD-HKUYNNGSSA-N 441.322 0.961 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2n(n1)CCCO2 1835567624 PPLGDDNKEUTPQQ-QGZVFWFLSA-N 439.944 0.451 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836398000 YGBMWUUWRXPOPS-OAHLLOKOSA-N 430.933 0.118 50 20 ICGD Cc1ocnc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921317 YZVOHDROHSIJKW-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827909 CLBWUYUZFFUJBZ-BDJLRTHQSA-N 445.270 0.776 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839253767 BUOHQKGAFQXBPX-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989238 WFIYERGPESQGPY-KUHUBIRLSA-N 449.932 0.221 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840031199 IPIZNMGJCMMPTR-MEDUHNTESA-N 431.287 0.160 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032899 NBYQLOZOTTWWBJ-BMIGLBTASA-N 433.328 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1840151380 ACCRDQJHTCKDCE-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840152032 VATPZOWOQXJJTE-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840438730 MVYDEHUCKWIXRF-VKJFTORMSA-N 443.342 0.932 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)c1ccccn1)CCO2 1840504660 OWMIAAXRKQUCNI-GUXCAODWSA-N 425.913 0.895 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015318 DACBYEKENRRSIN-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844792958 LQIQARQKNGKWDV-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCBr 1847513203 LLNIZVUGDNLOFM-RWMBFGLXSA-N 434.331 0.859 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 9931089 JQTRAFLTQQHXMD-LBPRGKRZSA-N 434.440 0.899 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(O)c1 728983447 IKGIBCCPMBHJHY-UHFFFAOYSA-N 426.477 0.675 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1 731904832 RUBCEIANGGJVDX-YUMQZZPRSA-N 434.569 0.614 50 20 ICGD COCCOCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 733123251 DGSBFNJYSWTTQT-UHFFFAOYSA-N 437.474 0.920 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 734256763 KYPIOCBNPWMOPL-GJZGRUSLSA-N 444.517 0.634 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)nnn3C)CC1 735117569 XUNPVSOIWQIUKL-UHFFFAOYSA-N 430.494 0.056 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)nc(O)n3C)CC1 735117973 KYPCJPLJOGAFJB-UHFFFAOYSA-N 445.505 0.367 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)CCc3ccccc3)CC2)cn1 741278966 XGOUZBSZYMZPTG-UHFFFAOYSA-N 434.522 0.536 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CC1 743600921 ZRTOSDBAHVJYRX-UHFFFAOYSA-N 442.423 0.705 50 20 ICGD CN(CC(=O)NNC(=O)Cc1cn2ccccc2n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 746553681 OZFCATDHLWRJDS-UHFFFAOYSA-N 446.445 0.253 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc2O1 751538211 GKXMLXKPQGQUCQ-SFHVURJKSA-N 448.453 0.948 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCCS2(=O)=O)nc1 753274115 QXRJUARNEIKWHF-ZDUSSCGKSA-N 433.556 0.706 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)C(=O)N1 763552110 WRGJNWIRMHBMKA-CYBMUJFWSA-N 438.396 0.020 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c2ccccc2O1 763918146 BCEYLLUXSUZSTK-SFHVURJKSA-N 442.447 0.836 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)ccc1OC(C)C 763922451 XLUJBLVXVYDNSI-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)ccc1F 764124521 JUJIGCSEIDHVMF-UHFFFAOYSA-N 433.787 0.869 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 764316916 HFDMFYALJHVEGA-UHFFFAOYSA-N 436.465 0.452 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 764320164 WENPFYPDSRLMLC-KBPBESRZSA-N 440.522 0.476 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)c2cnn(C)c2)C1 764358296 IVKZTCHXRXBVOU-ZIAGYGMSSA-N 426.477 0.938 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCO1 764579078 UIESMSNUEPYLJJ-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD COCCC(Cc1cccc(F)c1)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812474 LVMNEZWPHKTMLF-UHFFFAOYSA-N 430.440 0.324 50 20 ICGD Cc1oc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C 765310844 NCEWPOLPDQSTCD-UHFFFAOYSA-N 432.499 0.904 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cc1cn2ccccc2n1 765757874 GYCWNHVMWZBKPX-CYBMUJFWSA-N 426.458 0.263 50 20 ICGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766654647 VMQNZDSEURPFOV-UHFFFAOYSA-N 440.504 0.875 50 20 ICGD O=C(CCn1ccccc1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766661581 XIEIMJINVWHYCK-UHFFFAOYSA-N 431.924 0.857 50 20 ICGD CC(C)NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 767802894 ZRZPLSNJTLMGRF-GOSISDBHSA-N 441.440 0.969 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)nc21 770349522 JHAFKPFBKYUWHW-UHFFFAOYSA-N 440.464 0.595 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 775225515 OICPICQOQZVIHP-CYBMUJFWSA-N 438.282 0.507 50 20 ICGD Cc1c[nH]cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 781415882 QEFDMJWCIQJBLB-UHFFFAOYSA-N 448.501 0.098 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCS(=O)(=O)C1 783426632 IHBQBEUHEQMQMH-UGSOOPFHSA-N 429.470 0.520 50 20 ICGD O=C(NNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C(=O)N1CCCC1 784000763 ZABJNVWGJSUQPU-UHFFFAOYSA-N 427.230 0.247 50 20 ICGD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002999 OHOUTBQJVAXEHC-UHFFFAOYSA-N 438.506 0.931 50 20 ICGD CN(C)S(=O)(=O)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 785065446 NPBSEHXPXSBAMC-UHFFFAOYSA-N 446.532 0.201 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CCCc3nc(O)c(C(N)=O)cc32)c1 788953814 FLDJAZVOIXSMHM-UHFFFAOYSA-N 431.474 0.607 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789308765 GAKFBJSXMIIDJR-GOSISDBHSA-N 443.479 0.811 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 789740983 LXPWNVGBUHWHQQ-ZDUSSCGKSA-N 438.440 0.962 50 20 ICGD CCN(C[C@@H](C)C#N)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800124675 KYZPWDMHDIGBSW-AWEZNQCLSA-N 432.547 0.822 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 806977599 QOQDSYADXCNESZ-UHFFFAOYSA-N 434.836 0.822 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 810384937 LPZKRHSSHRNHQJ-UHFFFAOYSA-N 435.400 0.312 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(Cl)c1-n1cccn1 815691432 PWEUNYBBFXPBGL-NSHDSACASA-N 428.840 0.466 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@H]1COc2ccccc2O1 913416873 YYBPOFIKVXZYNT-OAHLLOKOSA-N 425.850 0.606 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)S(C)(=O)=O 915809024 ZRJOHPONFVBAQG-ZDUSSCGKSA-N 428.470 0.639 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)c1 918229906 VCQQDGFIBADIRF-UHFFFAOYSA-N 425.488 0.508 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 920930164 AIBBUZLDGCKEPQ-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD C[C@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 920933040 LIIANNJHIHQLJB-TUAOUCFPSA-N 431.540 0.340 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1779034856 VICTZIZZNUECIH-YADARESESA-N 449.511 0.859 50 20 ICGD CCn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1779835090 PNSNKCJTWANDSF-XMSQKQJNSA-N 448.568 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780451093 KSJJLUPTRQCOKU-DJJJIMSYSA-N 427.885 0.796 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1781230639 XQHSGSURAYAKFW-IAGOWNOFSA-N 427.292 0.804 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781338842 NIUKQVKOAVMMNE-LXIYXOSZSA-N 437.896 0.626 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782208163 FZPXLYAJYYQZRM-RUZGCFLTSA-N 449.342 0.900 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1783934481 BASINHBKCKOFQB-OAQYLSRUSA-N 434.493 0.217 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21)[C@@H](O)CCl 1784090816 NKFKLKDIKKITJP-PYTWLRIVSA-N 436.896 0.248 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784108912 PHROUJXSRHXPRK-CVDCTZTESA-N 428.533 0.919 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1786400991 LBHDHHWFLHBVHZ-MJVIPROJSA-N 441.282 0.553 50 20 ICGD O=C(CCc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786415810 OQRBAEGFDIKCPD-BVSLBCMMSA-N 436.317 0.593 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786788774 PAIHUNMFWFJXPT-FQUUOJAGSA-N 425.850 0.098 50 20 ICGD O=C(Cc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787061231 DKHXJFPRLXKGJA-SNRMKQJTSA-N 428.319 0.264 50 20 ICGD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1789621755 KJZYOZLOAMBBML-BVSLBCMMSA-N 436.317 0.836 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1791254929 XBQUXNPXQHZOMO-YDMUCJKGSA-N 430.958 0.246 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1791286279 KZRWTLKNNPVDSW-HHDFAXHISA-N 439.336 0.818 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791516970 NAGHLCKXRIOXHI-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793106377 FYMVTYOABCIFOQ-DFGXFYAUSA-N 447.919 0.840 50 20 ICGD CSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740250 JXYZXUCZDUEDKG-JLVBRIDZSA-N 441.318 0.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C=O)s1)C2 1797750445 DVAYKFWZFXPVNU-DPIQGUFMSA-N 443.485 0.076 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797902491 YQJFAXJHGZVACH-NIFZNCRKSA-N 428.331 0.677 50 20 ICGD O=C1NCCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](F)Br)C4)cc21 1797968753 CCMVRIMXLYJAIE-FBKDDSFISA-N 442.289 0.959 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)cc1 1798931705 RLTDGSQSIWUIMS-ZSBFGKGUSA-N 443.891 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1c1ccccc1 1800927903 FDIGAYKLZCAXBG-PQTWGXLHSA-N 428.533 0.753 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1800982702 JPENCWOVYWKGTM-SOVHRIKKSA-N 437.924 0.648 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2 1801014433 QQVJBDSXMLZEMG-USGNIVHTSA-N 438.475 0.470 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCSCC1 1802168497 PLNSMIHDBQGVKD-CBKYIJDSSA-N 447.561 0.853 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2OCCC3)[C@H]1c1cccnc1)[C@@H](O)CCl 1803147010 FXKUHMVXNBNNGH-XIRDDKMYSA-N 433.896 0.980 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365868 WPUOCTDKJSFIOQ-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370836 LEVIOTSJDQYEOX-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@]2(C)CCCN2)[C@H]1c1cccnc1 1808096637 WRLIZZWCCRCSOD-UCNVEGJOSA-N 430.553 0.603 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808434327 YYRIHNRPCMXBLT-YWMUFLPLSA-N 446.552 0.327 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295628 UONVIJDWWCORRV-OXJNMPFZSA-N 440.504 0.826 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471565 SXRUHARSMMWXSI-SFHVURJKSA-N 426.282 0.822 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817477042 XGJWTJQIGVBWNS-LPHOPBHVSA-N 439.325 0.737 50 20 ICGD Nc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)s1 1827054980 QZEVQFXULWJRMN-QGZVFWFLSA-N 442.350 0.952 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1830245745 MLPSKIUIYQOLFV-RBUKOAKNSA-N 441.016 0.986 50 20 ICGD O=C(c1ccc2nccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728585 VLODRINYCKFYOP-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832815264 WBULXOSXODGQCD-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834132820 OLLBLIPGEDVTBX-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1 1835840130 CBRQVMIRFUIXSL-SFHVURJKSA-N 445.004 0.974 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253318 YOGUWOQABXKVPC-HCZHMGAMSA-N 439.585 0.129 50 20 ICGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)co1 1837477560 VCBKPBVTWGWTNV-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837501609 NHFCYUBREGPTLG-YXJHDRRASA-N 436.958 0.302 50 20 ICGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838415704 SFUIYMFMVWVGLP-SUMWQHHRSA-N 444.872 0.360 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839242810 LETGSUMKPDHRMY-XIKOKIGWSA-N 443.342 0.809 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839961886 MCBRGXBLYSTBOM-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840030744 VHEPJNGGEWDKOI-UGSOOPFHSA-N 449.342 0.958 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031120 GBYOILXNMAGBKO-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1840152687 PVLPAYGSFZMEEZ-VFNWGFHPSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1840152768 SKIBCCWOWOCLMI-UZLBHIALSA-N 436.896 0.887 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486865 CXKZIVAPUMLYOH-DPZZJQGRSA-N 434.569 0.798 50 20 ICGD O=C(c1ncn(-c2cccc(F)c2)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010584 HCOAMUMNBMUXDX-UHFFFAOYSA-N 449.251 0.217 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011279 NTSUEHMVHHUOCY-UHFFFAOYSA-N 447.300 0.230 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845219031 QUHKRDFDTXLKQR-GFCCVEGCSA-N 445.314 0.785 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nc2nccn12 1845640410 GDIZWWPABZOMGL-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[S@@](=O)c1ccccc1 1845779615 HCIUNFCOIJYOKK-BEIWTESXSA-N 434.562 0.759 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 16146048 YKKRFWZZRXAKMP-CYBMUJFWSA-N 427.438 0.683 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 728312185 HICWHXSJQKFJOT-UHFFFAOYSA-N 435.458 0.145 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H](C)CN1CCN(C)CC1 745861390 CHKOTBVLUBSBTB-AWEZNQCLSA-N 439.586 0.116 50 20 ICGD CS[C@H]1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 745898340 XGGVTCHWWOLPEL-KGLIPLIRSA-N 428.584 0.928 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 747474942 AHDUGEJRVDEPGW-LBPRGKRZSA-N 438.531 0.659 50 20 ICGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 751208467 DMFXSWHGVCOPLP-ZDUSSCGKSA-N 430.486 0.995 50 20 ICGD N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 752411357 MULVHSCSJLHSBS-FYXHJSOBSA-N 434.493 0.180 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)cc(OC)c1OC 753181870 SEDYWYFQSCSNGA-UHFFFAOYSA-N 441.462 0.939 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)c1csc(N2CCOCC2)n1 753800614 WWCHMGUHKBNLLN-UONOGXRCSA-N 443.551 0.376 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)n3nnnc3C(C)(C)C)CC2)cc1 758360610 HEZHFTUEQKXRKX-QGZVFWFLSA-N 442.568 0.805 50 20 ICGD O=C(CCCS(=O)(=O)N1CCCC1)N1CCN(S(=O)(=O)CBr)CC1 758524563 WFSQFTAGFJLAMX-UHFFFAOYSA-N 446.389 0.019 50 20 ICGD COC(=O)c1cccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 759607615 KTGQMVMPJMDTJZ-UHFFFAOYSA-N 438.484 0.621 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccccc2OC)cc1 760198843 FVUMRXWFHWZIFU-UHFFFAOYSA-N 449.485 0.927 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccncc2)c2ccccc2O1 763465407 ZAWPAAVLHDRFNZ-GOSISDBHSA-N 439.472 0.942 50 20 ICGD CCCn1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 763513250 ZVGGBJGSMHZFQD-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763569725 BFMOOYJGAICSHM-INIZCTEOSA-N 433.442 0.406 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C)c2F)cc1 763734310 JGHDTRKEOYGNQY-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 763773322 VYHPAYWWICHYFR-UHFFFAOYSA-N 428.380 0.823 50 20 ICGD O=C(NNC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763782869 HAXMOOJGHMCPGK-UHFFFAOYSA-N 441.469 0.688 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)cn1C 763876012 CDUTZGXDYLHIQT-LBPRGKRZSA-N 430.417 0.568 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1Cl 763886870 ZKKMLSKQGVMKRG-UHFFFAOYSA-N 437.840 0.491 50 20 ICGD CCO[C@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)n1 766899404 ZBJGMCQRCUBBMS-QGZVFWFLSA-N 444.536 0.983 50 20 ICGD CC(C)C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 770980604 RNDPYRGAIVRGBA-YRGRVCCFSA-N 427.465 0.878 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCSCC1 772049184 TVWIYAFEMOUWNY-JTQLQIEISA-N 435.549 0.588 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 773422272 VVGXEMVBDWWNJN-WLRQEKSISA-N 446.504 0.588 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 775671913 KPSMOTZMKMMCOO-UHFFFAOYSA-N 434.396 0.949 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccc([N+](=O)[O-])c1 777778159 ZGVVGFGIINNYKV-UHFFFAOYSA-N 449.283 0.151 50 20 ICGD COc1ccc(COCc2cccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 782964891 CZKRBXLODPFQEJ-UHFFFAOYSA-N 440.456 0.777 50 20 ICGD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000095 VGSNZILVPMMURB-UHFFFAOYSA-N 429.477 0.376 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OCCN(C)C)c1 784002041 JZXMBUMSZLZYBQ-UHFFFAOYSA-N 431.449 0.044 50 20 ICGD O=C(NNc1ccc(Cl)nn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784792170 GVIWJBCEXFDFNG-AWEZNQCLSA-N 446.851 0.226 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2cccc(F)c2I)c1=O 785090454 SERWMQXKNPRMDI-UHFFFAOYSA-N 431.165 0.606 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786417299 OXDGEEDDIWZDNV-ZDUSSCGKSA-N 449.512 0.666 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)N1CCCC1 787542634 CDZWIWCCANLAEC-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 792265742 IDWWAVONLIQVMG-QGZVFWFLSA-N 449.552 0.663 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)cc1 801108234 JHIHNXKTRCWMSP-UHFFFAOYSA-N 432.502 0.730 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 806976603 IBUJGFXGHFMUOV-UHFFFAOYSA-N 427.339 0.918 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 806977446 JYORVMYREVFPJJ-KRWDZBQOSA-N 426.429 0.152 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 810384487 LSXXNICITVFJIT-UHFFFAOYSA-N 436.371 0.838 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nnc(-c3ccccn3)s2)cc1 811391632 OVUCJBQZMRGBSB-UHFFFAOYSA-N 447.502 0.980 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)CC)ccc21 815568174 XOUDNXZZNLIJPY-JTQLQIEISA-N 440.403 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 815779658 PQXUAQWROJNROJ-MRXNPFEDSA-N 438.506 0.516 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 913636181 QZHUBICOBUDIFV-UHFFFAOYSA-N 427.465 0.841 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 914748310 UXIBPZMOZMQYSN-UHFFFAOYSA-N 436.446 0.750 50 20 ICGD Cn1cccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371261 YFJHXQIMSSCCPY-XMSQKQJNSA-N 440.504 0.465 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779449617 ROBVNFITJDXIOO-IBGZPJMESA-N 441.891 0.691 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781860751 XMTWVGKENVNUCH-DCGDGQDLSA-N 425.869 0.186 50 20 ICGD Cc1ccccc1CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783302658 NBUOYQLJXVNBDE-DEOSSOPVSA-N 436.317 0.751 50 20 ICGD O=C(COc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783355978 VNZFAZNUQKXORU-QFIPXVFZSA-N 442.252 0.028 50 20 ICGD C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783900924 JOOYXKSEFHGULA-KKSFZXQISA-N 449.577 0.481 50 20 ICGD O=C(CSC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784460629 BDOUBVKWAOLBOE-VDGAXYAQSA-N 446.378 0.636 50 20 ICGD O=C(Cc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786512078 FZFAOWUOQUOZDH-CUWPLCDZSA-N 440.280 0.342 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]21 1787508098 DYXQJBGGHJZXFN-RPIBGLMYSA-N 433.484 0.992 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)cnc2c1 1788038385 JQMUUPRFLIVHLN-LLLHUVSDSA-N 448.907 0.196 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 1788607812 KFMHXMDMRWAFPX-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]3C2)cn1 1791252447 MMKDAQZONVLJSY-AYDFFVQHSA-N 426.901 0.722 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n(-c2ccccc2)n1 1796472867 PHQRXSJNUBWEDU-WTLGNFPFSA-N 432.908 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2[nH]ccc2n1 1797398481 DMQSVAANVGDAEJ-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD Cc1nc(N)sc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439141 HGBVQQZYEKHTDY-ZSBIGDGJSA-N 429.506 0.598 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccn3ccnc3c1)C2 1798440078 ADCMIIRZSBKNAT-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nn[nH]c1C(F)(F)F 1798711987 HSAYFLZLHSYBQD-XIVUIJJLSA-N 444.183 0.717 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br)C(C)(C)C 1800757738 UVJMKJGXRDMXKK-DJIJKHNZSA-N 432.359 0.910 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1800759562 VPTINNIOOPAYHE-HPAJIGNASA-N 436.306 0.917 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802248411 SINTZCPRWBIBCH-CWQOZTLDSA-N 434.537 0.753 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803130158 OMXUICXOTWUPHC-DMRZNYOFSA-N 425.493 0.703 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803613666 XDGUNUUUHKGQLO-HGWQEYRNSA-N 439.321 0.488 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(C)C)[C@H]1c1cccnc1 1806457612 ODNQREJXZHAXAW-MFWRVWTKSA-N 439.520 0.783 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363970 GQHPTPKJIRHSEE-NQIIRXRSSA-N 448.263 0.929 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807376491 VZCBIFZJCKLSLF-GHTZIAJQSA-N 443.272 0.595 50 20 ICGD CC(=O)c1cc(C(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)n[nH]1 1807938129 QFPWZOLFDYHCGK-UHFFFAOYSA-N 432.525 0.830 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)o1 1810051903 NFGXWNWLGJKJFD-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1812776483 KOEKBHSVEURQJL-OFQRWUPVSA-N 436.314 0.948 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813070109 GIYQNXGSGUBHMI-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813598995 BIWQJDUSDDZVMO-PGRDOPGGSA-N 432.569 0.801 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc[n+]([O-])c1 1816055956 SYOWKFBKOQOFJR-GOSISDBHSA-N 435.249 0.343 50 20 ICGD CC(C)N(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822992231 MHOMFEPESSUTTM-SFHVURJKSA-N 427.314 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1 1826345045 JXRAMODAKGSFRK-IHRRRGAJSA-N 437.566 0.979 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827049168 ORHQWBYNNBXJPH-UYAOXDASSA-N 441.337 0.126 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)C3CN(C)C3)sc2C1 1827268676 OIRNAALVRRGFAO-OBPDLJBASA-N 443.533 0.751 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924095 JZCWUZXNFLPLPT-LJQANCHMSA-N 444.536 0.445 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924661 XHCCJIFPOYBTRP-AUUYWEPGSA-N 444.536 0.443 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829828393 HCXWHFFABDZMSA-WWGRRREGSA-N 435.246 0.460 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830354335 WYMAADLINXXKIY-PRPIBZDOSA-N 427.929 0.566 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364453 LQJUOZPBPAAATJ-FOIQADDNSA-N 439.944 0.998 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538042 UEGPHDXRCGLONK-SUMWQHHRSA-N 435.315 0.427 50 20 ICGD Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723491 OHJYOXOTKOJKBI-OXQOHEQNSA-N 426.897 0.430 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n[nH]c21 1830728204 QFOHMJYSSOIKIJ-UHYGZKCKSA-N 426.901 0.129 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831657525 PIAWQZLAYWWAJX-CXAGYDPISA-N 431.946 0.761 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1831952652 KBXFHEAKHOGMNB-PBHICJAKSA-N 446.273 0.851 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793459 LLBZQYDLFZUFAS-MAUKXSAKSA-N 443.888 0.655 50 20 ICGD C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1833048461 GPHJNQVOQGRTOP-UHFFFAOYSA-N 425.338 0.518 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)CC1)[C@H](O)CCl 1833310289 OZJVWWVVXGXEDX-QGZVFWFLSA-N 434.928 0.743 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834197680 TZRXPTONVIFWMR-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cccn1 1834826342 LOAPCWTZKWWPPL-RHSMWYFYSA-N 429.315 0.686 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837045235 QRJQPDKRPIFMEM-GUYCJALGSA-N 428.898 0.066 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838832306 VLZOCPJOBJNZBO-AUUYWEPGSA-N 428.917 0.906 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839145248 ALTGHLVHPJQYGW-YZVOILCLSA-N 425.917 0.751 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839151961 JKHKTDRDKZLAIF-MNEFBYGVSA-N 445.347 0.774 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372914 KYZBZRCADQWGIX-BFUOFWGJSA-N 428.869 0.891 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649435 PHRDBWMSZQDNOF-OXJNMPFZSA-N 440.928 0.979 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841887621 ZAOSNUCBLPWOAY-NRFANRHFSA-N 433.317 0.240 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1ccc(F)nc1)C2 1844263531 NSBOQMBCQNWCHI-UHFFFAOYSA-N 426.452 0.669 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)C 15795102 QGZKYGXNJSIJQS-MRXNPFEDSA-N 435.458 0.547 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 20887988 NBQVLUGHVWXLPI-OAHLLOKOSA-N 434.474 0.085 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 68970148 OVUIKRYSLXQEDL-ZBEGNZNMSA-N 439.877 0.994 50 20 ICGD CCN1CCN(Cc2ccccc2CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 726093199 XXUYYUUFZFCSTG-UHFFFAOYSA-N 442.520 0.678 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCSc2ccc(F)cc2)cn1C 726766986 BZIPPQSAVIRSQJ-UHFFFAOYSA-N 443.526 0.866 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)nc2sccn12)c1csc(N2CCOCC2)n1 727749225 SKYBWLOUKNYACQ-UHFFFAOYSA-N 448.939 0.966 50 20 ICGD COCCOCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 728751971 HJVLPGCOIFMCRS-UHFFFAOYSA-N 428.511 0.468 50 20 ICGD O=C(NCCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 729613992 BBYAEGVKTJSZJE-UHFFFAOYSA-N 442.480 0.931 50 20 ICGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC(F)F 730569315 ULESKDPEEYVZCD-UHFFFAOYSA-N 429.405 0.331 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(-c3cnn(C)c3)c2)c1 731185725 DSFDCXNUNWRXEG-UHFFFAOYSA-N 428.474 0.807 50 20 ICGD Cc1nc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1-c1ccccc1 731744128 JDYGNFOFHGFARR-QGZVFWFLSA-N 437.412 0.720 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 732262593 UPDDRHXPTUAEDU-QTCYRWPVSA-N 449.483 0.239 50 20 ICGD O=C(NCCCOCC1CCOCC1)NNC(=O)c1csc(N2CCOCC2)n1 740903286 MWOMVTKVZYIWBT-UHFFFAOYSA-N 427.527 0.757 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H](C)O1 741282849 AVEXBRSVXIKEBA-OTWHNJEPSA-N 446.548 0.951 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744555288 AFFPHULVEUSJAJ-UHFFFAOYSA-N 444.469 0.863 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(Cl)cc2OC)c1 746107859 BHDROHLVJXOWOB-UHFFFAOYSA-N 430.870 0.676 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(=O)(=O)NCC#N 746638060 WCHVHNRYDCYNMP-UHFFFAOYSA-N 426.458 0.448 50 20 ICGD CCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)N1CCOCC1 747322847 QCRLARLGUYAWDA-UHFFFAOYSA-N 432.502 0.669 50 20 ICGD NC(=O)c1ccc(OCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 748691172 KUDJAWRQXXQYNO-UHFFFAOYSA-N 439.516 0.914 50 20 ICGD Cc1sc(Br)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755967723 QZBLXIPWJDIFBH-SSDOTTSWSA-N 432.343 0.499 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 763525376 AWYFSLXEVDRXQW-UHFFFAOYSA-N 425.380 0.784 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763682145 XZSZSAARQPQPDH-ZDUSSCGKSA-N 442.403 0.196 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 763682364 MOOCFXBJYQPOMP-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 763772127 NVUMPHOKSIDMJW-KRWDZBQOSA-N 443.412 0.432 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763945551 ZMKJDODXMATNFS-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 764130694 CCOUYYJSHZWXIX-UHFFFAOYSA-N 439.472 0.939 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764187687 HZSHUMGTSNTGMD-SFHVURJKSA-N 444.488 0.367 50 20 ICGD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227096 MCDXKOYNYGBQLF-ZIAGYGMSSA-N 439.538 0.397 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C(=O)Nc1ccc(-n2nccn2)nc1 764281135 ZOFDTTDUJQWHPP-UHFFFAOYSA-N 446.221 0.530 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 764398797 XCULVYWTNXBSTH-CYBMUJFWSA-N 436.465 0.350 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c(C)c2)CC1 764400651 QURWCTJOFWWZIL-INIZCTEOSA-N 435.525 0.274 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(CSC(F)F)o2)n(C)c1=O 764812608 NLDQFMSONVLMIJ-UHFFFAOYSA-N 426.405 0.633 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)OC)sc2c1CCN(C(=O)OCC)C2 765368294 WGYSQMVTUHUFAU-UHFFFAOYSA-N 442.450 0.765 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C#N)cs3)CC2)cc1 766637064 WISIZNOJSHUFDZ-UHFFFAOYSA-N 447.542 0.696 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1O 769302235 MTXCMCZSOODNAN-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 769784817 PTFVUUQDLJPVJA-UHFFFAOYSA-N 427.822 0.311 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccnn1-c1cccc(F)c1 770775211 XAYDMUOVEMNMAD-MRXNPFEDSA-N 425.376 0.937 50 20 ICGD CN(CCNC(=O)NNC(=O)Cc1cn2ccccc2n1)S(=O)(=O)c1cccs1 772015322 HHSZNPJMVLKIJE-UHFFFAOYSA-N 436.519 0.589 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(C)COC(C)(C)OC2)CC1 775606135 SULIWDLAAXWRNK-UHFFFAOYSA-N 427.527 0.250 50 20 ICGD CC(C)C[C@H](C)n1nccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775759759 HQRWTKBRZHTHHL-LBPRGKRZSA-N 445.484 0.090 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 776731267 WGQXRDWYHJCXOX-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD O=C(c1cn(Cc2cccs2)nn1)N1CCN(S(=O)(=O)CBr)CC1 777832197 KUUQIIDFYLQSBF-UHFFFAOYSA-N 434.341 0.828 50 20 ICGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)CNC(=O)c3ccco3)c2C1 782674428 VFNCMISWTOLCEF-UHFFFAOYSA-N 432.437 0.487 50 20 ICGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)CC2 782897580 QYZWPXJBDCOFPO-UHFFFAOYSA-N 429.502 0.947 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783262412 DCEAYWXGBXVDQR-UHFFFAOYSA-N 431.474 0.862 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1)O[C@@H](C)C2 784002708 KEKZCDWUBAWWHR-NSHDSACASA-N 430.417 0.518 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1ccccn1 784791927 BBLHZLBQDIVEBE-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n[nH]2)C1 786739917 KNGZZZBSGVVZDQ-NWDGAFQWSA-N 441.510 0.330 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)n1 797370599 IAOYRHIXWTZICB-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799261790 QGNVFBCHCLKZQC-UHFFFAOYSA-N 429.275 0.312 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)OC2 808938612 WPUJPAALTZJBOF-UHFFFAOYSA-N 430.442 0.880 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 816511263 SICZLGARZRPJPN-AWEZNQCLSA-N 448.476 0.940 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 913025903 SVQUSHAFCKIYND-UHFFFAOYSA-N 449.411 0.524 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 913446117 OPGJCOXMQHVEEV-UHFFFAOYSA-N 435.458 0.403 50 20 ICGD O=C(Cn1ccccc1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916559556 OAUYPACZODUKES-UHFFFAOYSA-N 440.481 0.788 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN4CCC[C@@H]4C3)nc2)CC1 916573740 OHYNMPAWSCURTB-HZPDHXFCSA-N 437.570 0.271 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(NCC(N)=O)cc1 919468408 MSWCIKNASSNVEQ-UHFFFAOYSA-N 434.836 0.864 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919889752 SNESFNYRUINJEA-HIFRSBDPSA-N 426.470 0.195 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921020624 AVQYBXBODOAFMB-UHFFFAOYSA-N 426.495 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccsc3)CCO2)C1 1779028063 BRBRUHCTDDXPFK-BTFLMBNSSA-N 441.513 0.904 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Cl)C3)no1 1779434305 QYIXLRAPUPPXGU-DDUZABMNSA-N 430.864 0.761 50 20 ICGD N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780597158 LUEVESAMVIZHTI-JOCHJYFZSA-N 434.456 0.314 50 20 ICGD C[C@@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1781241676 NTMXVPFXVDQWBI-TYILLQQXSA-N 446.932 0.083 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487199 ACJJQHZYOOWLFZ-PMUMKWKESA-N 441.326 0.541 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168683 XXVIASBXEONFRY-TYIWWEIHSA-N 444.438 0.838 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783530110 RZICUPOKWIMKCA-QPUJVOFHSA-N 449.195 0.955 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1783876199 WOQKYDLLBFGVRA-AUUYWEPGSA-N 436.900 0.438 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1783882240 PQCNGIRUIRZGBW-YMTOWFKASA-N 425.795 0.521 50 20 ICGD O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785330456 NVDBOHTXCWOCEX-FQUUOJAGSA-N 429.926 0.057 50 20 ICGD COCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506930 UQIMKNRCJCPXLT-VYOPWZLOSA-N 433.509 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@@H]21 1787508809 VGAOVBLBMLHSDJ-VRHNLSMXSA-N 445.520 0.668 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1788761410 ZKLOBXIMHJCTKG-ZQIUZPCESA-N 449.584 0.071 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)c(O)c1 1792730365 QODYCOJPUDRXKT-YGTYGHESSA-N 426.897 0.787 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792980857 NRCZIWSDVSACDO-RBZJEDDUSA-N 445.944 0.433 50 20 ICGD C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748274 OHQGGNVVLMKXQR-JLVBRIDZSA-N 429.521 0.881 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1798474276 GAVMYFYYIBEKGB-NDKCEZKHSA-N 437.262 0.810 50 20 ICGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)n1 1799344237 CSFBUIOBSBJEJY-OXUXUCFPSA-N 430.274 0.913 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801780101 CCNPYQPTKKWCOG-VPTLXERWSA-N 445.520 0.221 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807712258 OXLVCFXTOLQTDL-YDMUCJKGSA-N 425.327 0.594 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)n1 1808654393 YXTSOSDLKUDZSD-RYQLBKOJSA-N 435.912 0.844 50 20 ICGD CN(CC(=O)N1CCC2(CCCN(C(=O)CCBr)C2)CC1)C(=O)C(=O)O 1809070511 KDPHIKNNLHTHOM-UHFFFAOYSA-N 432.315 0.546 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3ccc(Cl)nn3)CC2)C1 1809978833 WEVXWXKTUVRHGE-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@H]2c2cccnc2)CN1 1812644250 XMNHUOVGSLFROF-NZBPQXDJSA-N 427.274 0.914 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813033136 IQGJKNCOTZETBB-VCBZYWHSSA-N 434.880 0.266 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068571 NQLGAEUUADRTHA-WAOWUJCRSA-N 446.552 0.375 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cncn1 1822772554 WERFVIGAAIWODR-ZFWWWQNUSA-N 431.501 0.628 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1830358372 UTXCZLDLTSLWBP-FQEVSTJZSA-N 425.913 0.570 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1)[C@@H](O)CCl 1833308237 LWDKIBHGNIDDEX-SFHVURJKSA-N 442.988 0.560 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1834404376 PWHVFXLRMPMOBQ-KRWDZBQOSA-N 429.315 0.758 50 20 ICGD Cc1occc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797525 UBDNTKUYCVKSQC-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1834818885 AHTVHCDMOZNLEL-DOTOQJQBSA-N 431.283 0.554 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835832045 XVYRFUXIAUJSQB-PBHICJAKSA-N 428.961 0.503 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnc[nH]3)CC2)CC1 1837446431 OYPINZODTWERJM-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921363 DNMWWPCQBWGQFL-IBGZPJMESA-N 436.745 0.996 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202723 NTMNWGLYSBFPTI-MJVIPROJSA-N 431.686 0.387 50 20 ICGD C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839744183 SUQYLMGMYOHXTR-IGICKNSGSA-N 435.427 0.709 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1840029344 AYSLPFMDKYBLLT-ZQIUZPCESA-N 433.343 0.777 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840031051 DXSZYBBPTCIGGB-GUYCJALGSA-N 427.299 0.259 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840036505 MGBIQKVXUHOPML-CIBFVHANSA-N 431.327 0.794 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1840069267 XZBZSTOPUFOSJS-LAUBAEHRSA-N 440.924 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840152920 YQSPWDKWGSLWDM-LIRRHRJNSA-N 438.868 0.547 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269733 VTZXKJKXIFOEAJ-MPGHIAIKSA-N 433.343 0.779 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840444218 GQYYMLNUQQFALQ-VBQJREDUSA-N 429.315 0.684 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2c[nH]c3nccc-3c2Cl)C1 1843285670 SBVHYCCTVQJBLW-UHFFFAOYSA-N 438.680 0.979 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCN2Cc3ccccc3C2=O)C1 1843872115 FYSZSEJVPFJUAC-UHFFFAOYSA-N 441.532 0.609 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2nc3nc(C)cc(C)n3n2)cc1 725853066 JFHINOYSRNWAEK-UHFFFAOYSA-N 446.493 0.523 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 727480043 SVFOHBXYJCZSKG-UHFFFAOYSA-N 441.488 0.893 50 20 ICGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727943693 GWWFLIKQORJFGA-UHFFFAOYSA-N 446.551 0.240 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730582804 HOLUKQQYPILYGL-UHFFFAOYSA-N 432.524 0.026 50 20 ICGD O=C(NNS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl)N[C@@H]1CCS(=O)(=O)C1 731339148 OVXLQJCOHKGJLS-SSDOTTSWSA-N 446.290 0.371 50 20 ICGD C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 731679351 IKRCYRAEJCCOCY-CYBMUJFWSA-N 430.469 0.958 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 740850176 XKXVRJZEZKDTRU-AWEZNQCLSA-N 437.884 0.997 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 742037451 XKXYEXJNGRXLBI-YPMHNXCESA-N 441.485 0.458 50 20 ICGD CCCOCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 748834533 LSGXERNIXGXFIE-HNNXBMFYSA-N 443.522 0.527 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758061865 DTDKXXIUDGAASA-UHFFFAOYSA-N 439.432 0.357 50 20 ICGD O=C(NCCNC(=O)c1ccc(Br)cc1)NNC(=O)C(=O)Nc1ccccn1 758709306 ORWJFUGGNOJZSG-UHFFFAOYSA-N 449.265 0.543 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNc3nccc(N4CCOCC4)n3)CC2=O)c1 762854485 AJPJNQXOCLWSBB-CQSZACIVSA-N 442.476 0.827 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cnn(CC(F)F)c1 763531323 MNXAHEOMFOXPNB-UHFFFAOYSA-N 449.462 0.446 50 20 ICGD CS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763686023 IIQNDILRXGHLHU-UHFFFAOYSA-N 425.850 0.908 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763695787 XAICFDVFDAFRMK-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763803755 NLYSMFVOSBEUGR-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763805022 ZWCORFXCKMZNAF-UHFFFAOYSA-N 430.348 0.911 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1 763809010 IUXFPSUVVNXBNT-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)c2ccccc2O1 764102502 ZZNMJLWXNVIYFW-HNNXBMFYSA-N 445.863 0.816 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425730 RSPSJMYWKXCOQG-IUODEOHRSA-N 436.465 0.774 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(O)c(NC(C)=O)c2)cc(OC)c1OC 765027521 YEHHDZGPKWYYCS-UHFFFAOYSA-N 439.446 1.000 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 765414041 PMUFPJMDOVAEPM-UHFFFAOYSA-N 425.467 0.653 50 20 ICGD CCCCSCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635845 GUUUJPIOPGSCHI-UHFFFAOYSA-N 442.607 0.982 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 770951784 UFIBPKRMCHKNLV-OAGGEKHMSA-N 426.539 0.309 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccnc(S(N)(=O)=O)c2)cc1C 772422988 AWLLIYFFBVWZDG-UHFFFAOYSA-N 426.476 0.279 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 774007512 AVAUNYXSBAYBHN-NSHDSACASA-N 436.856 0.144 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 778445781 PUMRCLNRGLPZIR-UHFFFAOYSA-N 426.904 0.352 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2Br)c1 782983971 RZQPOHDVUVDQLJ-UHFFFAOYSA-N 434.250 0.746 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 784916505 YUNLCNMJGXXICD-UHFFFAOYSA-N 431.902 0.756 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)c1 787541234 ORMYESXLOUPLOE-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792797286 VWNZCJBSJKQZJN-UHFFFAOYSA-N 441.510 0.057 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 793027271 WXSUCZQUMYJDSL-LBPRGKRZSA-N 446.489 0.928 50 20 ICGD Cc1nc2ccc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cc2n1C 795110820 VPPJERLGLVVIMR-UHFFFAOYSA-N 443.533 0.970 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1C(N)=O 796989516 GCCRQWMLJDORBL-UHFFFAOYSA-N 432.408 0.877 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(F)c(Br)cc1Cl 799261983 IEDSMAMMIRKAFH-UHFFFAOYSA-N 435.637 0.950 50 20 ICGD COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 805068915 UMBVYBJCHKGWKB-QGZVFWFLSA-N 444.414 0.861 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)(C(F)(F)F)C1 808044275 RLKLSYOBEPPSAH-MEBBXXQBSA-N 443.444 0.758 50 20 ICGD CO[C@H](C)c1nsc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 809924064 GRWMTBRIHVOBMY-SECBINFHSA-N 428.496 0.962 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(OC)c2O)cc1OC 810191190 RQAMTQMCRXSQSG-UHFFFAOYSA-N 439.446 0.158 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813034010 VFSUHAXPLYAWQE-UHFFFAOYSA-N 433.490 0.687 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814652252 VDRDFMZOKJPYCS-OCCSQVGLSA-N 443.464 0.375 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNc1ncncc1F 815764288 AYUCPHZJBNYBFW-UHFFFAOYSA-N 437.331 1.000 50 20 ICGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916735095 XMTUIFGTNVGFFM-UHFFFAOYSA-N 433.388 0.895 50 20 ICGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1251543293 KJNASOWXEUHYCR-UHFFFAOYSA-N 447.521 0.020 50 20 ICGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1253942727 SBUJBADREFQUCM-UHFFFAOYSA-N 430.534 0.737 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1779030062 GFUUNZGOGMNQHF-QFIPXVFZSA-N 438.488 0.156 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374121 AYENICXBNKVJGJ-MJCKSOBWSA-N 429.521 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779620154 OBHRRUZZRIMYDF-SFHVURJKSA-N 428.440 0.095 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1 1779894480 CMBAHGWFGLSZCL-SJKOYZFVSA-N 427.299 0.960 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1O 1781983328 RKRPLJONSLQCGF-JOCHJYFZSA-N 448.520 0.607 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 1788611470 CWDYYMHTEKGJBT-JQFCIGGWSA-N 442.451 0.126 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)sc1C 1789133146 MHNYKRVLUIJMDE-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789297395 YLXPPVSISVYQLH-FMSGJZPZSA-N 427.299 0.537 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C[C@@H]21 1791291538 XMPRHGVWGBCBHV-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(F)CCCC=C3F)[C@H]2C1 1792325462 XNLSLCLMHVOESM-JVGYHMDPSA-N 448.275 0.705 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccccc1N 1795655097 OIGJDNIHTJCLDH-AOXIVVNTSA-N 429.521 0.245 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795847100 CWCKYRXVTGXKIS-TYYYEBLRSA-N 432.304 0.835 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796190678 XLLILMDPYIGTKP-WKCHPHFGSA-N 449.316 0.634 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796191499 RBPNOGMPKLJFOY-KOUNCHBCSA-N 449.316 0.819 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796352586 MZFCMBXQQKAPDR-DTHBNOIPSA-N 427.242 0.860 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1CC1 1796358899 TXZAIVOCTQHBEP-JKJDWNRSSA-N 445.944 0.479 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752857 JVOCDFLYZJXUIV-MSNRECKUSA-N 444.319 0.125 50 20 ICGD C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799864750 MOAFNFTVLOGQAU-KANFNMMFSA-N 430.553 0.566 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1800979543 OUQGSWSEYMQVML-KPEUIFRASA-N 439.944 0.176 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(C)c1O 1801700477 VLXAJKZIGDLYOV-OPVJXMOQSA-N 438.289 0.206 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1805406403 ZQQGOIBQAMJFGS-LSDHHAIUSA-N 447.960 0.703 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805528957 BYXXHJRHYLZTOH-GFCCVEGCSA-N 433.983 0.678 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807045651 XOWYOHGMBIQTOF-ZQIUZPCESA-N 440.342 0.465 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362548 VVSVKGAGDFQRSD-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366652 VFMVKJRZGPJILC-HOJAQTOUSA-N 425.294 0.098 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(C(=O)O)ncn3)C2)CC1 1807576677 DCTPFJWDSDCQTG-UHFFFAOYSA-N 446.508 0.393 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)[C@@H](O)CCl 1814867092 DXVWRIONXIUHHJ-OLZOCXBDSA-N 425.833 0.806 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402263 XIWJRXZBRYYJJC-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826000610 YMYFNTABUHBHCL-IUCAKERBSA-N 427.918 0.642 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084150 ZUKSXBGWKFRNBI-RYUDHWBXSA-N 438.554 0.343 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1830370833 ZPCGXUOKQFZMTC-IBGZPJMESA-N 426.901 0.577 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830537339 DHKPJKPWTFQJJF-ZBEGNZNMSA-N 431.287 0.216 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722943 KVXHOWPMQACYEP-VQIMIIECSA-N 432.851 0.563 50 20 ICGD CCC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccc1 1830728434 TVBGLJPPZSGZRJ-MBOZVWFJSA-N 427.929 0.885 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731060 HKFZTMTXBBHDMH-KXBFYZLASA-N 440.859 0.143 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1)[C@@H](O)CCl 1833310771 RQJRYHDTTAKNLT-INIZCTEOSA-N 434.928 0.514 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1)[C@@H](O)CCl 1833312253 KDBCQKARBPEMFD-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835071583 VHWBAYDXBKEYNR-HNNXBMFYSA-N 441.916 0.327 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928157 GIMRRDCLYGYCPT-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1836280705 BZOYBBYSFWGRMQ-XJKSGUPXSA-N 433.278 0.733 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446794 GGCVEFRAMWIOHZ-AGJWPYNWSA-N 430.933 0.168 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837711808 RDEWQEDPVNFIPP-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837728173 VRSYUUVEUKUEQE-FCEWJHQRSA-N 433.933 0.001 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839145821 QYDDCSVVLBIOGF-RDTXWAMCSA-N 426.857 0.262 50 20 ICGD O=C(c1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197531 AGJYZDUCJAOJGU-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cnc2c1 1839600455 FGAPBSGDSAXDNV-OXJNMPFZSA-N 436.896 0.312 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840029448 DRIDXDCCGDTLON-RVSPLBMKSA-N 431.283 0.553 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840034845 YYWAGQVMGZLBRH-BDJLRTHQSA-N 432.271 0.020 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840149504 RHIGAMHQWPKDNF-FZKQIMNGSA-N 433.839 0.684 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cccn1 1840439947 AFRAZTIZIUODCV-PBHICJAKSA-N 429.315 0.686 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941036 RJFNSQNLXOGYHT-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844518638 ABGXQLQUXGCTSS-UHFFFAOYSA-N 443.696 0.944 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cccnn1)C2)NC(=O)NCc1ccccc1 1845038913 IMZLJZRXVMTQEB-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD O=C1Nc2cc(F)ccc2/C1=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 18870188 UVKOGBFZFDRZHX-UHFFFAOYSA-N 432.433 0.933 50 20 ICGD O=C(NN/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 18994093 SBHHOYYAJOIDEH-YYTPVVGHSA-N 426.454 0.665 50 20 ICGD COc1cccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)c1 725874054 VHCIVNHGUISVIB-UHFFFAOYSA-N 445.501 0.685 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc(C#N)n1C 726543366 BHKBPBMFWJKKIA-PDGQHHTCSA-N 432.488 0.757 50 20 ICGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 728942238 MVRCAKLNJRZSBC-NSHDSACASA-N 429.319 0.664 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 734825017 QLEOBRWOXLOCQT-UHFFFAOYSA-N 440.501 0.391 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743805377 ZEQJSYILCWMPPJ-UHFFFAOYSA-N 440.503 0.807 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 743829661 ACBAAJPFQCJVMR-UHFFFAOYSA-N 434.430 0.402 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 745916309 BUBSSNNFEPEWRE-YPMHNXCESA-N 431.409 0.232 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1 746596853 SPBQNLQSMCEJCO-UHFFFAOYSA-N 425.785 0.848 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(NC(N)=O)c3)cc2)CC1 748619526 JJVVSUPMDIFUDI-UHFFFAOYSA-N 432.506 0.870 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 751199916 TYZVAYJUQSCRNC-NSHDSACASA-N 426.476 0.072 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)CNC(=O)c2cccs2)n2nnnc2C)c1 751209090 KUGIOAVESAKUAG-XNTDXEJSSA-N 441.473 0.627 50 20 ICGD CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 753122289 XPFFIOWNYTXRIC-MUWSIPGASA-N 438.535 0.241 50 20 ICGD COCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 755556641 HVTVBSYNMDWFSD-LBPRGKRZSA-N 428.467 0.059 50 20 ICGD COc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1S(=O)(=O)N1CCCCCC1 757391499 GNGHGSOCXXVBBV-UHFFFAOYSA-N 448.505 0.906 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 761637778 UKKPRHZPKPBHBO-UHFFFAOYSA-N 431.517 0.966 50 20 ICGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 763272886 RZLMMXUODOUYIY-HXUWFJFHSA-N 446.515 0.539 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2)cn1)NC1CCCC1 763499301 LSZBTWCZZSIAGX-UHFFFAOYSA-N 432.868 0.995 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763806043 YLEWDJPSHLBMDW-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005726 FXILBHAWPDQYGO-UHFFFAOYSA-N 433.442 0.651 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc3ccccc3c2)n(C)c1=O 764514220 LLMAWZNBECPNTD-UHFFFAOYSA-N 437.485 0.605 50 20 ICGD O=C(COC(=O)c1cccc(C2OCCO2)c1)NNC(=O)[C@H]1COc2ccccc2O1 766917564 KPPMIIDZGXXHJY-QGZVFWFLSA-N 428.397 0.876 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCO3)ccc1Cl 771591604 ZYGJRSNELIYAHF-UHFFFAOYSA-N 445.906 0.936 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 773643056 HNAZISUVEHNVQZ-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 778282782 KYZHWAJSJKZKBU-UHFFFAOYSA-N 446.485 0.368 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NN=c1cc[nH]cc1 780759177 ANYOJKJDLYIBEB-CRPZLVSXSA-N 438.531 0.340 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2NC1=O 782892434 ABKUJGVQPUCMPK-NSHDSACASA-N 436.428 0.621 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc(OC)c1OC 784290547 QFISCSXXCKCROP-CVEARBPZSA-N 447.488 0.915 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 785227793 XVBVPNTUMVIUGL-UHFFFAOYSA-N 441.492 0.877 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)n1 785227918 ZSRIAJSGLWNNDO-HNNXBMFYSA-N 427.465 0.306 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1=O 785659414 ZWDLKAYAWJSEKT-ZWKOTPCHSA-N 430.505 0.632 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)NCc1ccc(Cl)cc1 787431336 KRROEBGZITVTIP-UHFFFAOYSA-N 430.646 0.895 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 793022663 ATBLXRNNTHZTJK-UHFFFAOYSA-N 425.376 0.148 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cccc(C)n1 797370382 AVGYZTDYBXIOMU-UHFFFAOYSA-N 441.444 0.413 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806975722 MFPBRMSTXOEBFY-HZPDHXFCSA-N 436.468 0.792 50 20 ICGD CCOC(=O)CC(C)(C)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 807093113 YYPAYZYIOAKUOE-UHFFFAOYSA-N 432.521 0.961 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 810007273 XQYUHVFCFGSWIC-UHFFFAOYSA-N 432.462 0.109 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810384076 AOFYRZFYWNFNPE-UHFFFAOYSA-N 436.222 0.518 50 20 ICGD CCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1OC(F)F 814877794 ZZBWZSJEPMCWLE-UHFFFAOYSA-N 434.403 0.966 50 20 ICGD COc1cc(NC(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)c(OC)cc1Cl 814995507 URHSJSQMEDQIRI-UHFFFAOYSA-N 438.872 0.976 50 20 ICGD O=C(NN=Cc1ccc(-n2cncn2)cc1)C(=O)NN=Cc1ccc(-n2cncn2)cc1 863950816 PKUMTOJVMMEWQA-UHFFFAOYSA-N 428.416 0.448 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 912848221 XVXFJTONWIVQPT-KBPBESRZSA-N 449.533 0.614 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)Cn3cnc4ccccc43)cc(-c3ccco3)nc12 913081416 NRWJVHPLASHKKT-UHFFFAOYSA-N 444.411 0.899 50 20 ICGD COC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 913176764 QSUNVJWHZKADRM-UHFFFAOYSA-N 426.495 0.304 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3cccnc3)n[nH]2)cc1 917178385 KAQJZYMNFXQGFB-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cc1[C@]1(C)NC(=O)NC1=O 917726970 SNXPKLOXUQDVTL-IBGZPJMESA-N 432.458 0.682 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)c2ccccc2c1=O 917915293 JTAFGJAQRRZACH-NSHDSACASA-N 449.514 0.606 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 920423002 HXVFONJCGCYSHQ-UHFFFAOYSA-N 436.446 0.798 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)c(=O)nc1O 1778027636 PRXYOQRISHMJOH-RVZJWNSFSA-N 430.864 0.306 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035616 JYGVAIIKHRZXPG-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779332750 PNUFCSQZDCJLFG-DNVFCKCGSA-N 444.337 0.067 50 20 ICGD O=C(Cc1ccncc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780565880 AXHTXOKIKVPCFG-NFBKMPQASA-N 437.305 0.132 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@](C)(Cl)CCl)C1)n1cnnn1 1780716027 YMUIIDKIFSRCDM-UTJXIGIESA-N 433.340 0.984 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)N1CCN(C)CC1 1781097441 ONNJSFGAOWNDBU-BXWFABGCSA-N 445.402 0.483 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966961 MCVVHXFFCPUWGM-OAQYLSRUSA-N 431.468 0.514 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782001563 GTXYSLIEYZFZGD-PMUMKWKESA-N 447.374 0.657 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1782439919 FLZPOPWBLMVVLU-HCLVMJGWSA-N 439.321 0.557 50 20 ICGD O=C(CCc1cccc(O)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784124605 YBYJAZWBZVKEJG-HSZRJFAPSA-N 438.289 0.148 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CN)c3ccccc3)[C@H]2C1 1786925713 PCENVWMUBMFBRK-MUGJNUQGSA-N 445.564 0.082 50 20 ICGD C[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC=CCC1 1786982191 QRNOHCWEZDMZHF-QUZFRVLNSA-N 426.322 0.706 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3ccnnc3O)CCC2)cc1)c1ccc(B(O)O)cc1 1788142313 NMVKHMUOVHOGBU-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1788161684 TWQRRPAMBCFGRP-VRHNLSMXSA-N 445.520 0.668 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810211 HBTRWJRVUCVSIP-NHCYSSNCSA-N 430.259 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)cccc3F)[C@H]2C1 1789447447 SDJFDMWPJOYRIM-ZQIUZPCESA-N 438.475 0.931 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21)[C@H](F)Br 1789922512 OCOIDTWJLMNXBQ-WRZDFSGXSA-N 432.246 0.369 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccc1 1791512440 SNXCQVCAEWIHMO-UHMOLFJZSA-N 425.294 0.022 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137184 YSIVAHRAQTUBDH-ADGXKJENSA-N 428.283 0.727 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CC[C@H]2CCC(=O)N2C1 1796191758 VAWLOEHLOHQTST-XCZFOBESSA-N 439.321 0.019 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797218394 KBFWSTUOFLTVKD-RBGFHDKUSA-N 445.944 0.433 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccc1F 1798304520 XLRVUSCPAGLJLH-SUGIQXKYSA-N 442.451 0.558 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440066 YUZQYSULWVFIHN-LVQVYYBASA-N 437.504 0.833 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800078950 RHKKPNAUXSDGKK-VTVITOLOSA-N 428.280 0.301 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[S@@](=O)c1ccccc1 1800209600 IJOXFENGGRAXLT-DLMKRWDNSA-N 428.938 0.372 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800642954 FOJQPHVEKIOIKA-XVIXHAIJSA-N 437.356 0.327 50 20 ICGD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2 1800753339 HAFYGXPXADBZSU-RKOFLFEYSA-N 425.323 0.963 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807679261 GAUHMBZYNWGYKO-YYESSZKYSA-N 439.354 0.841 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810967543 KHJFTLLKTRQIPR-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)[nH]1 1813068100 IILCOPWLAXIVDC-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1 1813068912 QTXYZCQRMMXPNH-KSSFIOAISA-N 431.522 0.626 50 20 ICGD C[C@]1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCCN1 1815360091 LWKWSFOXFXKTID-VBKZILBWSA-N 428.323 0.191 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478879 CRKQZSSRADGPOZ-DLBZAZTESA-N 446.338 0.509 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnn1 1821721720 WEDHSIBWHAEBID-GUYCJALGSA-N 437.269 0.248 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823079735 ONHLLFUEUNMLBG-WFASDCNBSA-N 444.322 0.850 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829512770 KATBPGUKXGHUAC-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830922198 DIYRJPJPTUACBH-FXAWDEMLSA-N 425.913 0.643 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831179342 VDUPQLPADDVGJX-WMZOPIPTSA-N 433.557 0.832 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832433708 SIIFQEYEIHHRKJ-DYESRHJHSA-N 440.924 0.738 50 20 ICGD O=C(CSc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832701213 IQAONEXFJUEPMY-CRAIPNDOSA-N 429.926 0.230 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1 1835217745 UZYBUIQUMPCWBM-CPOKCXMASA-N 431.493 0.377 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1836075419 SDSWUHCUKPSZLD-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836189447 UWJQFRUSAOBIFD-MRXNPFEDSA-N 428.917 0.606 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296699 IWQVILJLNPSRIB-KYNGSXCRSA-N 441.843 0.712 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531784 WTMNFELOMUUVFQ-JLVINJNFSA-N 431.917 0.989 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837663329 WWXXYFKIUSTFJI-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)co1 1838139271 QXCVUNJPOYLXLI-BBRMVZONSA-N 434.262 0.998 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719263 NMGXSTWWSAKWBO-CXAGYDPISA-N 429.315 0.440 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840029700 NACRLZUTCFEKCD-JDFRZJQESA-N 434.331 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1840152391 HDUZEHSVKRSMAG-HRAATJIYSA-N 448.907 0.954 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)n(C)n1 1840153473 PNIJIGVCEGIXOL-BEFAXECRSA-N 428.917 0.306 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)C 1840188491 MSNSFHVBPLLYBH-CXAGYDPISA-N 425.309 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841390874 BGTNWKNOCPUQMR-WIYYLYMNSA-N 428.533 0.859 50 20 ICGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013978 KFTILQTVMINVLQ-FQEVSTJZSA-N 433.273 0.701 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)C2 1843416220 MNKRUEPXRXBJAB-ODVVRYSGSA-N 426.521 0.664 50 20 ICGD CC(=O)NCCC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1846007907 YCBZUCKFPQBDSQ-AWEZNQCLSA-N 430.933 0.848 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 26693492 ZPUJXPGKLMHSRC-OAQYLSRUSA-N 439.403 0.691 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CN(C)C)n2C 727761601 SCJKHWYTTOGBSM-UHFFFAOYSA-N 438.554 0.245 50 20 ICGD CCC(CC)N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O 729299258 CWVVCLKAXDOBNL-LLVKDONJSA-N 430.914 0.786 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc21 735647630 WQEBSCQISWGMGR-UHFFFAOYSA-N 448.483 0.602 50 20 ICGD CCc1cc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc(-c2ccccn2)n1 738531354 HAKSEOXEKNSKLH-UHFFFAOYSA-N 449.475 0.382 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)cc1 740812738 YTSSYMUNMMRHAN-UHFFFAOYSA-N 448.567 0.843 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 742452064 GDONPTMVUFTMOD-ZDUSSCGKSA-N 426.543 0.579 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742481386 VRBXRDOKGHRJAJ-KNCCTNLNSA-N 431.445 0.407 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(Br)c1)S(=O)(=O)c1cccnc1 742772230 ULMBDYUBHXYTOC-UHFFFAOYSA-N 427.280 0.926 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)Cn1cnc2ccccc21 743842404 XLDKDMISQQTUSI-UHFFFAOYSA-N 430.424 0.821 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744788828 RXKDPGORWHOPNF-UHFFFAOYSA-N 440.437 0.349 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1Cc2ccccc2O1 748268536 KMKZDTCGYPGSBX-INIZCTEOSA-N 434.430 0.414 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 749017065 IDCPYMWSDHZZFI-CQSZACIVSA-N 442.538 0.855 50 20 ICGD O=C(CN(CC(=O)NNC(=O)c1ccoc1)Cc1ccccc1)NNC(=O)c1ccoc1 755194287 GMMRBZYVXDXICO-UHFFFAOYSA-N 439.428 0.597 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756093861 JDEVKIKWFHXPQG-ILRDRHFLSA-N 426.473 0.820 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cccc(C#N)c3)c2)CC1 756212562 MLAJGFKYSHSPFO-UHFFFAOYSA-N 442.501 0.961 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 758047940 ZPYURRGMKHQBSP-BXUZGUMPSA-N 447.355 0.671 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 758833905 KPNIEOLCFVIQCY-RBSFLKMASA-N 427.461 0.533 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 762853522 SQTYMYGANZFONL-UHFFFAOYSA-N 448.505 0.091 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 763270742 UOHZHRKTVVFUHT-SECBINFHSA-N 447.249 0.819 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1S(C)(=O)=O 763807727 QXVHNBXFXWEJRS-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764312906 CMFZREFWZDIDEC-UHFFFAOYSA-N 430.440 0.410 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764319985 VSOOMOZWONOHBH-UHFFFAOYSA-N 434.449 0.595 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccccc1 764328401 FCBRCQARBCXMDD-KRWDZBQOSA-N 440.456 0.869 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636198 MMMSMJOMCNHWGT-ROUUACIJSA-N 430.505 0.571 50 20 ICGD CC(C)(C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 769937726 UFBZTQMWJNTYSR-LBPRGKRZSA-N 432.524 0.351 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C 770406862 UDPLYZMKNNCCIF-UHFFFAOYSA-N 435.458 0.792 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccc(Cl)cc3)CC2)n(C)c1=O 770788564 TUGXRILAPMBHJK-UHFFFAOYSA-N 444.879 0.257 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771607472 MXHVMHZLGNSRCG-UHFFFAOYSA-N 431.879 0.814 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 771871110 SFQQWYQKLYNPRH-AWEZNQCLSA-N 441.506 0.129 50 20 ICGD COC(=O)c1cncc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 774300072 BWJXVZJNOATYNS-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061828 OZGLTESEUDABKT-UHFFFAOYSA-N 437.453 0.637 50 20 ICGD CN(NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202783 WWTKEWRDVSFSAX-UHFFFAOYSA-N 437.501 0.564 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 778440917 GBJCYFZZHSGKOH-UHFFFAOYSA-N 434.497 0.183 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 782830435 JFTROYVSKXQXBX-UHFFFAOYSA-N 426.429 0.793 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(Oc2cnccn2)c1 784003637 JYJXZQIWYPJGQY-UHFFFAOYSA-N 440.441 0.846 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 792280811 HEBFGYVZYFCMOV-UHFFFAOYSA-N 430.852 0.379 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(Cl)n1 800831656 XZLAGXWVPXOFOL-UHFFFAOYSA-N 439.302 0.968 50 20 ICGD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 805835820 UEASDNBVVUKSEY-CQSZACIVSA-N 436.494 0.336 50 20 ICGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916096369 ORBBIJCRKBPZIB-CQSZACIVSA-N 436.534 0.927 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC(C)(C)N2CCN(C)CC2)c2ccccc2c1=O 916259150 WEZNCNWKQYVLCV-UHFFFAOYSA-N 443.552 0.947 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cn2)CCO1 916392928 PXAWBHFYNJQJRK-KSSFIOAISA-N 427.461 0.977 50 20 ICGD COCCn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1=O 917534367 IHYNINKNDQPWDV-UHFFFAOYSA-N 427.505 0.468 50 20 ICGD O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cccc(Cl)c1 918058574 ZOFXLKJORNRRKH-UHFFFAOYSA-N 436.852 0.899 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 1116093264 OYLXQIPKZJETMB-HZPDHXFCSA-N 425.530 0.827 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779177991 XDDWNGZNBRUMLQ-VBKZILBWSA-N 437.928 0.690 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111648 OIEHFHHHIPWQTH-MAUKXSAKSA-N 443.386 0.380 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1781231715 QHMDQVUGDJVXJU-DLBZAZTESA-N 430.292 0.255 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783354449 AHOIGQNEEXRMIM-GUYCJALGSA-N 427.299 0.247 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1785018029 VYFKVOYLCNOCTE-NRFANRHFSA-N 436.484 0.651 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)CC1 1788112093 QJVJPEHSCLZDRJ-AJNGGQMLSA-N 439.937 0.172 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cc1 1788610315 WWNCWENMHONVBB-VDGAXYAQSA-N 437.500 0.901 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 1788610535 DKQYBVVEINZYPH-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925959 KQLXQJUGYJIXSS-MAWLBIMSSA-N 427.336 0.815 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21 1791288579 HDBREWSGDSZLND-UFYCRDLUSA-N 430.549 0.972 50 20 ICGD COc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792723066 ZPRCFFMSGYIDGD-MFKICJERSA-N 448.520 0.037 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1C 1795739761 KKVFGIBDROZQCB-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796283748 WOFYESUUCXWAAU-ZWUHOBOKSA-N 425.869 0.310 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nc(O)n2c1CCCC2 1797985198 FEUFOZIDMHALGF-IQOUGMIPSA-N 445.289 0.819 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799752115 FOHWQFRPQORZPX-YVWYUNDQSA-N 447.923 0.788 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2ncccc12 1799978648 OZOHSUNQALREFT-YVWYUNDQSA-N 440.504 0.206 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1C1CC1 1801667041 MSIBSLVDHGOSGP-OPMZPASUSA-N 434.301 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1 1802529855 NVOBRHYWDSLSTJ-MAODMQOUSA-N 443.504 0.787 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807360020 GIXPKKCAJNFQQU-XMSQKQJNSA-N 447.304 0.355 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2[C@H]3SC=C[C@H]32)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367556 SLQKVMVDNLOFEA-RQUKQETFSA-N 449.341 0.956 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374226 FRPIFWTXDKBDHS-SZMVWBNQSA-N 429.232 0.736 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1807374889 OZWKQAMDDRMCFQ-KFKMPVNJSA-N 437.261 0.112 50 20 ICGD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]2c2cccnc2)=NN1 1808667829 FVYPTICATITYJE-LERXQTSPSA-N 426.246 0.654 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n(C)n1 1816444868 KNAJNSSGCUFLFY-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD COC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401466 CIAVVHCHWZCMQB-WBMJQRKESA-N 429.481 0.997 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 1821747062 GBOUWTGQWGWOGD-SNVBAGLBSA-N 449.493 0.978 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824444963 JLLSXCPYTDTZNY-SWLSCSKDSA-N 430.339 0.389 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824489025 LYFPOPORUNKMPX-DYESRHJHSA-N 426.322 0.638 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](N)c1ccccn1)CC2 1826085430 TVQANWNDCHGADT-KZULUSFZSA-N 445.549 0.523 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)CC1 1827098605 GMPQSIUHRXCVRL-IBGZPJMESA-N 445.564 0.841 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2nccn2)CC1 1828924286 NATMSOGZKNEOKD-GOSISDBHSA-N 440.508 0.210 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830720426 ZNANYWPOUSYLHG-BEFAXECRSA-N 430.860 0.504 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1830952926 KJSIPLVZIFUVKP-HXUWFJFHSA-N 438.601 0.579 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832630263 BMMXIXUOKVJZKY-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833488656 OSFZEOFZEUINRA-YJYMSZOUSA-N 440.884 0.652 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790520 RSUPKGLAXUTYDD-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD Cc1ncoc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800996 HAHBLUSXLBILQV-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819541 VIRWVZOIYFDUGO-CRAIPNDOSA-N 443.342 0.761 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835696858 ZTOFPBGASWHYTE-KNBMTAEXSA-N 440.928 0.592 50 20 ICGD C/C=C(/C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738286 SHDCWNQMBJGXDU-CQPUUCJISA-N 428.537 0.837 50 20 ICGD CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1836005557 QJXIXIWQAOAFTC-GOSISDBHSA-N 437.972 0.933 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446798 GGCVEFRAMWIOHZ-VPCWJJEPSA-N 430.933 0.168 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)n(C)n1 1838046321 DPHXZYFCTXKOIO-KXBFYZLASA-N 428.917 0.306 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838346693 YRWWBYXBYOYZCM-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155488 VIWAIAGYVIAAJM-HOTGVXAUSA-N 426.297 0.035 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839966168 WMLIXVLNQJUIPE-SUMWQHHRSA-N 446.298 0.410 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031884 FTXYLDAWIOBDJT-QLJPJBMISA-N 447.355 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1840153880 DLHBSJWYXLECFB-YWZLYKJASA-N 442.896 0.725 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841353031 ZMKOVXSVDSCAGT-MCIONIFRSA-N 431.917 0.017 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353785 PJTADRLUQQTBLT-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1841924758 XWCNZSHLVICPNF-LBPRGKRZSA-N 427.889 0.198 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842854085 NFSGXTATUHYEBO-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(OCCCO)cc2)C1 1844705177 SYVATHOGIXMCAX-UHFFFAOYSA-N 438.289 0.258 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066240 MJZISEITDVNZKQ-HOCLYGCPSA-N 432.433 0.060 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3)C1 1845665128 BMAROYIHFQTVJM-UHFFFAOYSA-N 434.456 0.311 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384035 WDHMPUKVLUFEQA-HNNXBMFYSA-N 439.557 0.724 50 20 ICGD O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931146 MUTKIKSOOOCECP-SECBINFHSA-N 429.907 0.867 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)NNC(=O)c1ccccc1 15486977 DKVDAGBBBSRMEM-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 15795232 TVEFDKYXFPLHBY-MRXNPFEDSA-N 439.877 0.948 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 16232931 IPOHLJPCHHADAI-UHFFFAOYSA-N 427.504 0.688 50 20 ICGD COc1ccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725871224 IBLWHMWJXLUKGZ-UHFFFAOYSA-N 429.433 0.217 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 728211164 JNJMIDMEBPIELR-UHFFFAOYSA-N 440.503 0.961 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728962058 WPRWENYUQWOUME-UHFFFAOYSA-N 447.521 0.002 50 20 ICGD C[C@@]1(NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCS(=O)(=O)C1 731116530 AXMDXXHZPSUSLE-FXAWDEMLSA-N 437.566 0.265 50 20 ICGD COc1cccc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1O 733806186 VQNQNXWBPOWKQO-OAHLLOKOSA-N 437.412 0.939 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccc(Br)c1 742773221 QKOGRMHJRRGPDR-QHSBEEBCSA-N 436.262 0.763 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 743831526 YSVZVXLLQPHFQK-UHFFFAOYSA-N 437.478 0.498 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNc1nccn(C)c1=O 747938687 XTGCVNJFJNCQNF-CTXBLAANSA-N 437.547 0.935 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Cl 748246406 JUZUJRDTYWGKJB-UHFFFAOYSA-N 430.914 0.754 50 20 ICGD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 750669879 GHLKPQFWENHEAU-XAZSVGOPSA-N 444.579 0.961 50 20 ICGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 753438807 JDCIRUXZXICNPT-UHFFFAOYSA-N 433.273 0.620 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1 754519262 DZMYKHFNHGSRLY-IBGZPJMESA-N 445.457 0.053 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(C(F)(F)F)nn1 755197673 REJOWETUUIJGFI-QMMMGPOBSA-N 432.384 0.404 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 756599265 YQFHEFINOCXJPY-UHFFFAOYSA-N 429.462 0.982 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1 757772522 NRTFDRHBKWJYKX-UONOGXRCSA-N 432.481 0.936 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 758046322 HICCUXMZAIVFQU-SCZZXKLOSA-N 437.305 0.431 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)CCC(=O)N3C)cc1 758066843 DRPCBZUPNJRSKZ-UHFFFAOYSA-N 444.513 0.986 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 758151220 USRCMNNZWAZYBY-UHFFFAOYSA-N 446.532 0.249 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccn1 758830972 LHFJXNRDKMKNTC-HNNXBMFYSA-N 431.474 0.411 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763430463 HTWFDURGHMNYEM-CYBMUJFWSA-N 426.429 0.768 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 763547414 BFMMZUUJKUEUIF-UHFFFAOYSA-N 434.430 0.032 50 20 ICGD CCNC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763571359 MOEDVAHJYVLNRQ-MRXNPFEDSA-N 427.417 0.754 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(C)o1 763582495 IIJWQAYLQKSTRE-UHFFFAOYSA-N 428.445 0.697 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 764399849 MERYDVGRPXFCPA-ZDUSSCGKSA-N 429.433 0.471 50 20 ICGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 765733109 NLJCUWJXZGSYEQ-SJLPKXTDSA-N 438.550 0.406 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1 766647900 GMNNJHVKAJZXCU-UHFFFAOYSA-N 448.531 0.858 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cnc2c(c1)c(C)nn2CCO 767312476 TUGBXHBZZFQFKC-UHFFFAOYSA-N 425.445 0.587 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cn1 770451771 MACKFZPROMTRDQ-UHFFFAOYSA-N 440.865 0.603 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cs1 771609240 XSALZEFZAMUQDG-UHFFFAOYSA-N 431.879 0.814 50 20 ICGD CS(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 774278623 IFNZPGUPFARHKJ-MRXNPFEDSA-N 439.515 0.820 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cnn1CC(C)C 782897571 QYQFCIVPHXQBPU-UHFFFAOYSA-N 449.537 0.794 50 20 ICGD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)cc2)n1 782964973 DGOCZTKTXOZLBG-UHFFFAOYSA-N 428.474 0.609 50 20 ICGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003708 MJYPUTFIADQBLK-JXMROGBWSA-N 444.469 0.840 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1cc(Br)c[nH]1 784312872 ZMPFYVUNCQCXEZ-STQMWFEESA-N 425.283 0.979 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](F)C(C)C)c(=O)n2Cc1ccccc1 784335936 DCZUTQWQLJHATG-MRXNPFEDSA-N 444.467 0.569 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 784683628 GNOAWBVGDGXEBK-UHFFFAOYSA-N 445.520 0.459 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 785330498 JHTNILQKISXNRH-UHFFFAOYSA-N 434.474 0.849 50 20 ICGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 788409186 UCRFFSRUMAYVDI-INIZCTEOSA-N 443.547 0.781 50 20 ICGD COc1ccnc(NNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 789309274 IQMZNVNATDOYCK-OAHLLOKOSA-N 432.456 0.968 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 792208282 VDXIZLHIOKJKHT-UHFFFAOYSA-N 430.509 0.967 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c(C)c1 792854294 IUSICOALPRGWAR-MRXNPFEDSA-N 431.580 0.773 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)ccc1F 795177026 IVVBWMTYVFUNCC-UHFFFAOYSA-N 430.483 0.741 50 20 ICGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc2n1C 797368876 IHKOSTMTFBNODD-UHFFFAOYSA-N 438.444 0.894 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cnoc1C)N1CCOCC1)c1cnoc1C 799480890 AEMVGJMABBELQE-GOSISDBHSA-N 445.480 0.751 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564396 BFCWRINERXIVKA-ZDUSSCGKSA-N 440.444 0.781 50 20 ICGD COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2)cc1 806788605 VVIXCUWRKBPQHM-SUMWQHHRSA-N 448.501 0.251 50 20 ICGD O=C(NNc1cccc(F)n1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 807392422 AXJOBUNJAKBABE-UHFFFAOYSA-N 441.416 0.463 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)CC1 808069723 HQMSQLAJHQNDJT-CQSZACIVSA-N 443.522 0.993 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1c[nH]nc1C)c(=O)n2Cc1ccccc1 814745727 FOSMPEMIYCJOTJ-UHFFFAOYSA-N 448.487 1.000 50 20 ICGD COc1cccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 913263485 CZCVVLJUVAWFPC-UWKDKTGGSA-N 447.513 0.477 50 20 ICGD O=C(COC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)NNC(=O)c1ccccc1 914677750 DQNMRZUAYNLWED-UHFFFAOYSA-N 431.470 0.993 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)[C@H]1COc2ccccc2O1 914821549 GDRWCLIBJQEGAN-KBXCAEBGSA-N 439.424 0.570 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1 916104998 QKRSWNVLHNIVPS-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 916227843 NMINIAKKTSDPDV-KRWDZBQOSA-N 432.568 0.395 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c2ccccc21 916391539 CAQINSXFLXQEOR-UHFFFAOYSA-N 448.483 0.895 50 20 ICGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 917737032 CEYWTAFCXWGNJE-UHFFFAOYSA-N 429.432 0.630 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)c1ccc(Cl)nc1 917747534 SOTLCIQGNMTOKT-LLVKDONJSA-N 438.849 0.796 50 20 ICGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(OCC(=O)N2CCOCC2)cc1 920383870 HITUPMGOBJXICR-INIZCTEOSA-N 438.506 0.135 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O 933536884 GJMPWBBKLAQNLQ-UHFFFAOYSA-N 438.400 0.423 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1COC2(CCOCC2)O1 1319870003 KOXLNBFWFGHXHI-ZDUSSCGKSA-N 441.510 0.154 50 20 ICGD O=C(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)Nc1ccc(F)cc1 1780878372 GJXKTJGTQKTIQV-BEFAXECRSA-N 427.860 0.584 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781328790 ZTPDWSPMISXKKH-WBVHZDCISA-N 435.338 0.144 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334015 UHXWGZASHKJGRD-SUMWQHHRSA-N 428.258 0.920 50 20 ICGD CCC1(C(=O)N2CC[C@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)COC1 1782948412 ZFUVXWBBRASORY-VQYZLWMVSA-N 431.493 0.377 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783964431 SBPJCBVDYJCJQY-CHUNWDLHSA-N 432.359 0.912 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981000 JNMBNPBJTLPWOW-IHPCNDPISA-N 428.338 0.952 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21)c1cccc(B(O)O)c1 1786986593 NMWFAQBCFRQUBJ-VDGAXYAQSA-N 426.322 0.540 50 20 ICGD CC(C)(C)OC(=O)NCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975374 PEVQIEPVTJOHGQ-JYYAWHABSA-N 447.960 0.871 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn(C(F)F)n1 1798843797 HSRDPNJSHGGENR-ZSBIGDGJSA-N 433.419 0.842 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br 1801964052 WSHMVCLYSRDFCM-CEVLRCNZSA-N 433.299 0.903 50 20 ICGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CC1 1801987506 FLNWDLZBPUGUSL-FZKCQIBNSA-N 431.917 0.044 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cn1 1802336665 STLSDPNTBJFUJL-MUJYYYPQSA-N 431.493 0.493 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360223 IHECIUKWWMFQBG-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367590 TUWZOJZCGTUSPV-DENIHFKCSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369892 YCFFFHJVBMHGGP-FXAWDEMLSA-N 447.256 0.557 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807376500 VZCBIFZJCKLSLF-WIYYLYMNSA-N 443.272 0.595 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCC=CO2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376721 XOYRFTPFRROKOL-CEWLAPEOSA-N 435.289 0.774 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2(F)CC2)[C@H]1c1cccnc1 1810305290 JYXADJRNXQNPMD-PBHICJAKSA-N 426.452 0.902 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814474992 HFMBXNPCDWGXBG-AEFFLSMTSA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)c1cccc(B(O)O)c1 1815361659 MWOWMRUEHARWRB-DAXOMENPSA-N 443.334 0.600 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cn[nH]c1)CC2 1819796942 IYFTYLZLIJZEHB-JTQLQIEISA-N 426.462 0.404 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822183990 IPDZNZSZLNYOOZ-GXSJLCMTSA-N 441.286 0.737 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)[nH]n1 1822415085 AUFZPMPVHTXZLP-CABCVRRESA-N 433.513 0.396 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)NC=O)sc2C1 1822892764 ZNRYQINARXUPNP-NMOQZMMYSA-N 445.505 0.324 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCCN1 1830268817 YUDCIAUCPWADLJ-NZQKXSOJSA-N 427.354 0.742 50 20 ICGD O=C(c1cccc2c1OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728485 UJWCHOGPYPCTBC-MGPUTAFESA-N 440.880 0.128 50 20 ICGD COc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830738596 QKDSEFURZKTSIM-APWZRJJASA-N 430.860 0.504 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnc1 1830975566 YLLQIWUKQQUXCU-PBHICJAKSA-N 429.315 0.686 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736901 NHCRTNDJEBMXRS-PXAZEXFGSA-N 443.298 0.426 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1832084426 RYFCDWLNOVFUSO-UWJYYQICSA-N 440.924 0.602 50 20 ICGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)no1 1832791471 HRNUTQACDANIFK-QGZVFWFLSA-N 435.308 0.996 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1834777732 KHMZXCXLCXGWCM-MSEFBISNSA-N 447.326 0.736 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)c1cnc(O)nc1O 1835071602 WWWVWWNABOFKAC-UHFFFAOYSA-N 432.308 0.877 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836715337 QBFCJUREDADVCN-MRXNPFEDSA-N 428.917 0.641 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971895 KHAQTRQWMUIARI-IFXJQAMLSA-N 426.901 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1838479586 NRENBMXVPIQSGI-UHFFFAOYSA-N 436.513 0.101 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838753919 BCWXOKMAUBBLDA-STQMWFEESA-N 430.343 0.905 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838794768 XFFGAHHHGMMJPM-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838975732 OJWKVOFGSGCBKJ-FOIQADDNSA-N 442.896 0.725 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123501 RVJNJECMRJKRGX-QGTPRVQTSA-N 432.359 0.758 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840149852 BYVPBLPCIVQOQV-FZKQIMNGSA-N 430.889 0.064 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1840151819 OHHXQRFOCWRTSW-GHTZIAJQSA-N 440.924 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1840153974 GYGCGEJYLHNAPV-PXNSSMCTSA-N 427.929 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1840183604 OTVFSOUPGQABOX-JOCHJYFZSA-N 432.521 0.059 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840717081 GHJOJFUOGHENQH-KSSFIOAISA-N 436.814 0.774 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841648134 SOTVJAHJAPJCKH-RYUDHWBXSA-N 430.889 0.430 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C1)CC2 1843012116 FKHYVCAJBXCKCG-LJQANCHMSA-N 448.328 0.997 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206450 OUMSJBFJQQRPTP-FOKLQQMPSA-N 443.382 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1844264174 PBKOCLKXIRRRIE-LJQANCHMSA-N 434.500 0.217 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1 725950711 GAXRFJVTKMRXEO-IRXDYDNUSA-N 429.404 0.406 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1OC 727010715 JHSNFFPBPXLGFV-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)cc1 728826468 JNPREANJSDQSKK-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C 731477184 SXFCYTGALUITIW-GYZOOYGHSA-N 436.534 0.420 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 731853288 ZHLWMXXIVNROSD-UHFFFAOYSA-N 426.886 0.628 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CC[C@H]2NC(=O)NC2=O)nc2ccccc2c1=O 733265535 GAKPXQCHBFALSR-OAHLLOKOSA-N 430.465 0.643 50 20 ICGD C[C@@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 734298733 JKWKZVUJMMCTLG-CQSZACIVSA-N 430.534 0.728 50 20 ICGD O=C(NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cnnn2)cc1 742035476 NEKKOEOLOLJOTR-SFHVURJKSA-N 425.424 0.636 50 20 ICGD CCOc1cc(C(=O)NNC(=O)NNC(=O)[C@@H]2COCCO2)cc(OCC)c1OCC 746000016 WBZJSHNHKNKJKC-HNNXBMFYSA-N 440.453 0.273 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1Br 753523555 IWAIBOHWTUAFJJ-UHFFFAOYSA-N 426.220 0.121 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 756208174 YERULJIAHJAZCK-ZYHUDNBSSA-N 434.902 0.988 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NNC(=O)Cc1cccnc1 756246581 CRXQZUMBADKJNG-UHFFFAOYSA-N 426.477 0.873 50 20 ICGD CN(CCCC(=O)NNC(=O)C(=O)Nc1ccccn1)S(=O)(=O)c1ccc(F)cc1 758840979 ZSAHGWSSCAFHEV-UHFFFAOYSA-N 437.453 0.408 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1ccncc1 763465211 VPXWIAUUUSJEGT-UHFFFAOYSA-N 426.477 0.632 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 763571885 PKXFMOFXLBPCPV-MRXNPFEDSA-N 442.819 0.847 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1 763660563 BRAKDZJNQYDEHM-UHFFFAOYSA-N 442.428 0.812 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002072 IOLKUSMKGSGYAG-VIFPVBQESA-N 448.295 0.368 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 764224677 JUSKMHZINRNTGS-HNNXBMFYSA-N 449.464 0.089 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCCC(C)C 764230682 JJAUZXWSYXXLST-ZDUSSCGKSA-N 428.511 0.444 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764268377 KWGIOUGJUXLNEC-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1N1CCOCC1 764276025 WOEVXZCSIMPYGO-UHFFFAOYSA-N 428.445 0.702 50 20 ICGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764354575 TVAQQUOVNRQZLH-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD CCOC(=O)C(F)(F)[C@H]1CCCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 772841884 VBHWFBMTRORYPW-JTQLQIEISA-N 447.464 0.432 50 20 ICGD CO[C@H]1CCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 775458678 MRVWORAADHUAMJ-ZBFHGGJFSA-N 426.543 0.459 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)NNC(=O)CO)c1 776188634 HXTKTFZXEAXLTP-UHFFFAOYSA-N 426.539 0.707 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 776980214 NMLDVFXRJQQNDB-OAQYLSRUSA-N 443.435 0.710 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 784915253 HXMNPOPLNFYNAT-UHFFFAOYSA-N 425.511 0.801 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 785385019 GTTKACBKGQPYTE-ZDUSSCGKSA-N 449.485 0.973 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Cl)c1 786358362 HRYDQQJTJRPUTR-KFZJALRRSA-N 449.847 0.197 50 20 ICGD Cc1nc(Cn2nnc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)c2C)no1 787149663 XODLZMVBLPIRLP-UHFFFAOYSA-N 427.421 0.182 50 20 ICGD CC(C)[C@H](C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CNC(=O)OC(C)(C)C 794525108 SWKCBBPLNCBFCS-ZDUSSCGKSA-N 449.512 0.333 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCc2cccc(CS(N)(=O)=O)c2)nc2ccccc21 800718998 QGEYSNGZNMAJBG-UHFFFAOYSA-N 430.490 0.435 50 20 ICGD Cc1nnc(COCC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 803103361 YCOHWYIFXBPNOD-UHFFFAOYSA-N 428.515 0.999 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(Br)ccc1OCC(=O)O 814835647 XJKYSLCWZVMAQC-VIFPVBQESA-N 436.284 0.690 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 912920915 GNUGHRSRLYJXMN-XCDZQEORSA-N 448.564 0.999 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NC(C)C)N(S(C)(=O)=O)CC2 914851999 YGMIXDDMULKYTE-AWEZNQCLSA-N 428.511 0.692 50 20 ICGD N#CCc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915801808 GFDJATFDGVPBKS-UHFFFAOYSA-N 428.470 0.848 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCOCC(F)(F)F)cc1 916459589 VBZLWMVFSZYUNL-UHFFFAOYSA-N 440.444 0.915 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1C 917362382 FAJJREHJPBNMKX-UHFFFAOYSA-N 443.485 0.934 50 20 ICGD CCCN1CC[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 919792816 IQKUVZCHRNURGE-INIZCTEOSA-N 439.586 0.376 50 20 ICGD CC(C)(C)OC(=O)NCc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919883296 CFFOQSISZAYIHF-CQSZACIVSA-N 426.495 0.842 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)c1C 920933108 OHVNAKMXQIBTPI-ZDUSSCGKSA-N 449.489 0.945 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779469228 WYTGGGIFSMTLHX-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1ccco1)C2 1782170553 QOICANVVRAZBLC-AKCHCHLHSA-N 441.912 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@]2(F)Cl)C1 1782296059 QOBSVFDAYNSQEI-OHHBCXFOSA-N 432.924 0.798 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1783874620 GCRNBHBXJAQSNI-ACJLOTCBSA-N 428.873 0.395 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935779 WPSQHCCHBONGJW-JOCHJYFZSA-N 443.504 0.383 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784085207 CXTMIYNFGKDOHR-UYLCUJDWSA-N 430.929 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(F)nc3)[C@H]2C1 1785236055 VNGQTADIWYLKNZ-BZSNNMDCSA-N 449.527 0.506 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788471080 FGXAMBBFOUHYIS-ZBRGCBALSA-N 440.324 0.267 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660698 GVHYQURHIDQWTJ-MRBVTGPESA-N 431.917 0.749 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789111891 NPMWFSOANHWOQC-IMIFBBOLSA-N 427.299 0.807 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)c(=O)[nH]c1C 1791056768 AHAHORCDGYQVHF-HBEIAFGSSA-N 441.326 0.763 50 20 ICGD O=C(O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791301205 WPYCSADYBUIMRH-AVWBDOJWSA-N 427.292 0.474 50 20 ICGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CCl)CC1 1792783263 PXWZIFIPYXCLBT-ALXJQNPVSA-N 428.961 0.005 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1F)C2)c1ccc(B(O)O)cc1 1795735228 QUMSZAHWUMKXGT-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2)[C@@H](F)Br 1799352010 IGDAQCHOEUAZIN-VOAKKNSGSA-N 429.290 0.795 50 20 ICGD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803298415 SYJUFAKDAIJOKC-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805527198 UWOJICSFOZNZAH-KBPBESRZSA-N 433.933 0.660 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cnn1C 1807369692 RWVPLWPYKAYNNU-RXVVDRJESA-N 447.304 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccncn2)[C@H]1c1cccnc1 1808513469 XFVAFUMQJMHJAT-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1813073413 MJGYQYUTSQETHU-BEFAXECRSA-N 441.492 0.270 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)[C@H](O)CCl 1814867093 DXVWRIONXIUHHJ-QWHCGFSZSA-N 425.833 0.806 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815337266 QCRSJEHPCYIKNF-OAHLLOKOSA-N 437.290 0.461 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819446339 OEQKGJSTYBUIBH-KXBFYZLASA-N 439.589 0.904 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827591877 PGCPRUJDKZNREN-MRXNPFEDSA-N 448.524 0.494 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C1(O)CCC1 1829733045 CJRMZJPLJMVRCQ-YOEHRIQHSA-N 433.343 0.779 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cn1 1830538069 VCNIFDTZIDFMOD-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830722932 KELMQYABIBNLJX-PXAZEXFGSA-N 435.308 0.295 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731881 RGZRCIFTKXLMJU-KDOFPFPSSA-N 427.910 0.899 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870970 JNRJFDBTUHJSPP-APWZRJJASA-N 437.585 0.846 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1833615701 JUXVOKNXTHANHC-UHFFFAOYSA-N 445.347 0.677 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938536 XPPYTSCXQMBHNY-NZQKXSOJSA-N 442.321 0.205 50 20 ICGD O=C(c1ccncc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837819957 DUZWYCIBQRLBCZ-BBRMVZONSA-N 432.246 0.548 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839147354 NYWQLICXKAWSNH-ORAYPTAESA-N 428.869 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155444 UDEXXYAFNYMGRR-MAZHCROVSA-N 431.744 0.933 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198379 YUGAYWCCBDEUCY-WCQYABFASA-N 446.111 0.918 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839563699 SRGLQVLUXWWNDF-YWZLYKJASA-N 438.864 0.808 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988211 BYWMHBBAONSPGQ-AUUYWEPGSA-N 433.933 0.985 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847590281 JGIOVYWUNRLGAU-ROUUACIJSA-N 430.310 0.694 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccccc3)CC2)n1 23665548 DBENJKFHTPYRAN-UHFFFAOYSA-N 430.534 0.398 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 727497760 LXAGOXJBALNWKC-UHFFFAOYSA-N 447.542 0.659 50 20 ICGD CCOC(=O)N[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(C)C 728213668 FOLJSICEYUDFMO-QGZVFWFLSA-N 441.554 0.837 50 20 ICGD CN(CC(=O)NNC(=O)Cc1cccnc1)S(=O)(=O)c1ccc(Br)cc1 728851713 UUGISOQNPYJTMU-UHFFFAOYSA-N 441.307 0.855 50 20 ICGD COc1cc(CNC(=O)NNC(=O)COc2ccccc2O)ccc1OCC(=O)N(C)C 730820231 NUTFWUABDALMFN-UHFFFAOYSA-N 446.460 0.777 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 730907345 ILNLSUVCJCJHSI-UHFFFAOYSA-N 441.488 0.840 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CS(=O)(=O)CC)c1 733659906 HZBKEIHSXQBLOC-CYBMUJFWSA-N 448.567 0.484 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cn1 735446413 WAJJVJVGTAOVNU-UHFFFAOYSA-N 426.886 0.330 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 738344309 ZKHKMFWTLSWEIP-UHFFFAOYSA-N 439.520 0.205 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 740810358 VLCDLWPMINBZMN-OAHLLOKOSA-N 431.536 0.604 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)C(=O)C1 741282895 BNBAUVIDEMAREY-UHFFFAOYSA-N 442.476 0.917 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742478011 LPVBIQINPIIMQA-KHORDMKYSA-N 431.445 0.162 50 20 ICGD C[C@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 743284660 FQBGMJMTZBFUQK-HOCLYGCPSA-N 425.507 0.816 50 20 ICGD C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 745496283 KNPKSQNTRJLXAE-ZDUSSCGKSA-N 444.469 0.508 50 20 ICGD O=C(COC(=O)c1ccccc1Cn1cncn1)NNC(=O)[C@H]1COc2ccccc2O1 745526050 YULSEKMOIUMEOQ-GOSISDBHSA-N 437.412 0.471 50 20 ICGD CC1(C)CN=C(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)S1 754084610 MUFVMIGTAMJXMZ-UHFFFAOYSA-N 429.510 0.516 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc2)C[C@@H](C)O1 755420735 BUOMBOTTYTVGIY-BETUJISGSA-N 436.494 0.685 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758018740 ZFGXELJYMQSESR-UHFFFAOYSA-N 439.432 0.357 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 758035939 OOWKWUNPNNNTAO-NSHDSACASA-N 426.882 0.249 50 20 ICGD Cc1nc(SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2c(C)c(C)sc2n1 758052920 KDLMQGFBPCPOIH-MRVPVSSYSA-N 431.565 0.794 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OCC)c1 763681908 KLBVLEIKSXVIRP-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 763920877 FQUIDOUQLIBSGL-UHFFFAOYSA-N 428.840 0.781 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 763947937 GFIPERJKWFWFOP-UHFFFAOYSA-N 437.412 0.693 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764260983 VNRKNDQGMLFKAL-UHFFFAOYSA-N 440.435 0.630 50 20 ICGD Cc1ccc(F)c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765118551 LJTORIPNJWSQTH-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD CCCCc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730825 OOFIHFKHROOVLN-UHFFFAOYSA-N 426.477 0.166 50 20 ICGD COc1c(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(C)nn1C 766660638 QIARCIRMYXLTRL-UHFFFAOYSA-N 434.928 0.969 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767274141 SPVQIANXLMZPDP-UHFFFAOYSA-N 449.485 0.724 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)(N2CCOCC2)C1 767895586 HYOPWZVBCKBLQU-UHFFFAOYSA-N 434.493 0.672 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n[nH]1 768273307 CJEWFCSRGRHEHM-LBPRGKRZSA-N 433.446 0.116 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1nc(O)c3cnn(C)c3n1)C2=O 770980754 UQRUEMMVNDFDGA-DGIBIBHMSA-N 430.469 0.649 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 771852520 YBKIINRNUQVROC-MJBXVCDLSA-N 441.506 0.587 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 773188028 AQFZSJVUWSHTIA-SNVBAGLBSA-N 426.499 0.121 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc12 777915127 PUVWCJUVEPKYPC-GFCCVEGCSA-N 425.488 0.542 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 778783997 LCBUKXZJVFRZQB-UHFFFAOYSA-N 428.436 0.698 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)nc1 782148495 XHDCUINVMABDLJ-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 784005147 QWXUJRPFPSWGGF-ZDUSSCGKSA-N 427.486 0.641 50 20 ICGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 784619052 PPQWTKSHBONQNT-UHFFFAOYSA-N 433.490 0.187 50 20 ICGD C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnnn1C1CC1 790713974 FDVPXYBLVVUWGB-HNNXBMFYSA-N 427.513 0.612 50 20 ICGD Cc1cc2c(cc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1)OCO2 795155148 CRYLTPLJFFUYBX-UHFFFAOYSA-N 441.325 0.712 50 20 ICGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 797008386 XZIORRYFVMEKET-UHFFFAOYSA-N 442.201 0.508 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3O)c3ccccc32)N1 806972799 MAIBWGKCWWWVJK-KGLIPLIRSA-N 438.440 0.189 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cnc(C2OCCO2)s1 806973869 MUIPMWVHTHLOJX-UHFFFAOYSA-N 440.503 0.966 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 812730178 BMMIXBLCRUXRSY-UHFFFAOYSA-N 449.445 0.714 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)COc1ccc(C#N)cc1 814100876 ZEIVCHVTJCAMSE-UHFFFAOYSA-N 425.186 0.736 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 815593250 GQCGBPLMUUYFOA-UHFFFAOYSA-N 435.409 0.825 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 844771518 PRYLJVNUDAUCLB-INIZCTEOSA-N 449.441 0.202 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 915197602 ZRBFZXJKQPMNSU-UHFFFAOYSA-N 443.441 0.310 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1cncc(Cl)n1 915921794 KEXRWBBMYWJNLS-UHFFFAOYSA-N 426.886 0.977 50 20 ICGD CSc1ncc(Cl)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 928240591 VKCUOCACZSYVHT-LBPRGKRZSA-N 438.849 0.996 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(OCC3CC3)nc2)CC1 1182816063 NGOPIEHTAYNEND-UHFFFAOYSA-N 446.533 0.958 50 20 ICGD Cc1ccc(C(=O)NCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 1319391416 BFLVRAGNRZSFSQ-UHFFFAOYSA-N 443.529 0.392 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)C1 1779030669 SWZORPCBTTZAKR-QHCPKHFHSA-N 448.483 0.924 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1779295487 OTWAGHNWCSWOCC-LJQANCHMSA-N 438.557 0.993 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779466182 TWTUPDABEGZXNF-ZWDAVXSWSA-N 432.326 0.307 50 20 ICGD COc1nc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779744756 NVXIMHSCFMETLR-NRFANRHFSA-N 433.509 0.215 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)cc1 1780434839 MPGFCFQPLAJSAT-NFBKMPQASA-N 438.289 0.513 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487196 ACJJQHZYOOWLFZ-HBUWYVDXSA-N 441.326 0.541 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782720747 NDYPIIOLUFLQMA-CRAIPNDOSA-N 434.631 0.787 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783874940 ILSNIUBYKJRLHH-SLLKKCNZSA-N 439.900 0.204 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1783876203 WOQKYDLLBFGVRA-LIRRHRJNSA-N 436.900 0.438 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1783881168 PMGRVZJEQIMRPP-SCLBCKFNSA-N 427.841 0.998 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783992487 UTFMINKEZLQWRS-VGOFRKELSA-N 447.536 0.197 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785338541 JEGLBHSVKMJWCA-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785637661 VJWGEVLJDRIBDY-FQEVSTJZSA-N 433.534 0.272 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981013 LQRKUAYUXQUCMU-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(C)c1 1786984772 HVUMHVOVDQIKAC-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788724730 PLAILITXMIDAKK-HTVCTNPSSA-N 432.294 0.584 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198121 IDLNOSRKOCTWNN-AYDFFVQHSA-N 433.896 0.700 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791811237 KJBKZWFHWSZGJY-VJANTYMQSA-N 437.585 0.212 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1noc(C)n1)C2 1796890662 CXGXXUDTRKLZBB-LSOZKBPJSA-N 427.465 0.693 50 20 ICGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)on1 1797753069 SBGBGBLVOZGFMT-IVWMJMPLSA-N 442.476 0.314 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012266 LHYQYDRUUNCIPC-DTHBNOIPSA-N 430.259 0.695 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccoc2cn1 1799881579 DTEMXHJUMLYPIV-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800640055 INQYMFZJYZYTRG-IPJQOSJUSA-N 442.310 0.065 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1800757673 SMGGLHLDUJFZMY-VWPFQQQWSA-N 430.343 0.762 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 1800980972 IXKIWOWIJZZLRL-NIFZNCRKSA-N 433.933 0.743 50 20 ICGD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804692761 WYZZZOXSAHSLLD-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnsn1 1804994680 MHMQNPXDKXWGGM-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(F)cn1 1805978597 CLMQKDFUGISQIK-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nccs2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369767 UQZLLIWFOHOYGH-FUHWJXTLSA-N 436.302 0.851 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807802586 OMMKRHHAAGZLPP-RDTXWAMCSA-N 449.475 0.140 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812403586 FIBOKYFNQCJLSH-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813577211 PUEVZJXRWBYFTD-YQQAZPJKSA-N 431.942 0.776 50 20 ICGD C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336885 HQWIPSWHZVYWOZ-CQSZACIVSA-N 431.348 0.968 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCOCC1)CC2)c1cccc(B(O)O)c1 1815354705 QPSFOGMGZUZFOK-OAHLLOKOSA-N 429.307 0.475 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470333 PBCAEPSQXMQLNS-GOSISDBHSA-N 441.297 0.264 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817473228 MWMAJTKFQMYROC-GOSISDBHSA-N 435.249 0.810 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1)[C@H](O)N1CCOCC1 1819443528 ATUYMIITFUHJBJ-GUYCJALGSA-N 444.330 0.837 50 20 ICGD O=C(CN1CCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051358 VCNBEOTVSQVXFL-FQEVSTJZSA-N 441.337 0.222 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724718 AYPPCWRTLGQYFL-KDOFPFPSSA-N 432.304 0.334 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1830957550 CEQJHIOZAKACEM-KDOFPFPSSA-N 443.342 0.511 50 20 ICGD CC[C@H](C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831052490 RUGOJACVASNAIJ-BTYIYWSLSA-N 433.509 0.191 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831816108 RNOZPAIGETWQEL-RHSMWYFYSA-N 447.305 0.797 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831888968 LHOZWAOADDURHU-VQTJNVASSA-N 448.394 0.714 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832942607 OQEGMKNAEQSWOC-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD O=C(CCCc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833054519 WBDVOWUNQGZADF-FXAWDEMLSA-N 425.913 0.460 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1)[C@H](O)CCl 1833310608 UHLSEGFIWCLGPW-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390105 MIHWARHGTQKNQZ-LIRRHRJNSA-N 426.901 0.474 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827616 HCYPLSOUSGCSPL-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccncc1 1834137073 ZLLKPTSMRRGDSI-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710214 OGGCRQXUAGKTJX-DNVCBOLYSA-N 429.590 0.209 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838338267 VVWCMRSOKUIVAR-CJNGLKHVSA-N 432.246 0.081 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798096 BKRWGVLVFCBQRT-SJKOYZFVSA-N 446.298 0.268 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107176 FIRJUXQMJLMJLG-YLJYHZDGSA-N 442.988 0.240 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839155434 UAFVHXKMZUKATB-SJORKVTESA-N 434.324 0.361 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1839309439 ICGNFEWPKZLUQW-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533401 KEKCYMYKOPFJRA-FZKQIMNGSA-N 441.326 0.683 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839967794 ZEBINJXWTREDED-PBHICJAKSA-N 444.330 0.298 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840031638 XWQOPJMQUAMINQ-SJCJKPOMSA-N 445.314 0.594 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840151923 RPAJIHPLGKUFEK-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1844264096 DILBFVWQIVLMEW-UHFFFAOYSA-N 449.393 0.625 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034567 GKPBSDKTJRTMAW-LICLKQGHSA-N 448.470 0.362 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCN1C(=O)COc2ccccc21 12702161 BMAQGLACTMRTIF-UHFFFAOYSA-N 445.501 0.865 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)n[nH]2)cc1 725885911 CKNYMWZZUUNWEV-UHFFFAOYSA-N 445.505 0.557 50 20 ICGD Cc1cnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 726871342 LIHMHZFLAKLPMR-UHFFFAOYSA-N 425.492 0.939 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)Cc3cccnc3)CC2)c1 728850514 RUZHVLHETYOMTO-UHFFFAOYSA-N 431.518 0.232 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)sc1C(=O)O 728854576 YUKXDOOSQAAQGF-UHFFFAOYSA-N 425.492 0.771 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730488310 KBEBLCRJAPLAMM-MRXNPFEDSA-N 448.501 0.399 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 732262594 UPDDRHXPTUAEDU-ZMOMAAQPSA-N 449.483 0.239 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)s2)C[C@H](C)O1 732264551 VGRQKPBAZCDZLP-QWRGUYRKSA-N 447.355 0.887 50 20 ICGD Cc1ccc2c(=O)c(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cn(C)c2n1 734038078 NCCVJKVGZHVCOX-UHFFFAOYSA-N 439.384 0.768 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(CCOC)C2)c1 739034335 HRKKFGVRUNAJGV-MRXNPFEDSA-N 441.554 0.382 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNc1ncnc2[nH]cnc12 740746809 ONGZHRHEBWPCQA-UHFFFAOYSA-N 437.201 0.831 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1nccn(C)c1=O 747938689 XTGCVNJFJNCQNF-GLNPCMGASA-N 437.547 0.935 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 755537222 YCGRGEWVUMBEHY-UHFFFAOYSA-N 446.445 0.984 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1 756845170 RVKYAOMNYSVZCQ-UHFFFAOYSA-N 426.380 0.714 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccc(F)c2)nn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 759445329 NWGBFARDVAUUCC-UHFFFAOYSA-N 442.363 0.992 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cccnc2)c1 763487925 HQPQFNIGBBDQLN-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763574382 ADZHAQQXPDWFRJ-KRWDZBQOSA-N 426.429 0.752 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cn1 763678739 BMWNKGFLOANTAR-UHFFFAOYSA-N 445.476 0.963 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 763873855 ZKPIOCJSUZQLQJ-RDTXWAMCSA-N 443.460 0.818 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 764001974 IHYJUSYACOKYOO-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 764040804 MHJTYGPSWVKWCO-UHFFFAOYSA-N 446.485 0.296 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc(Br)c1=O 764127086 SZPNLIAHSQTLBB-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1 764132416 VBXMTEHBTPZGBM-UHFFFAOYSA-N 431.470 0.744 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764405087 PGWZSZQAARYWFO-UHFFFAOYSA-N 432.458 0.639 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 764546989 JDROLUGTBMVLDV-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1C 765174213 AOJASIRFOUWDSB-UHFFFAOYSA-N 446.939 0.629 50 20 ICGD C#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 766635717 DJRZTVTZXLMUPL-UHFFFAOYSA-N 441.513 0.139 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC[C@@H]3CCOC3)CC2)cc1 766636346 NWMQYPPNHKWVAH-QGZVFWFLSA-N 438.550 0.265 50 20 ICGD CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 772841891 VBHWFBMTRORYPW-SNVBAGLBSA-N 447.464 0.432 50 20 ICGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C2CC2)c1 776293473 JBWCNPPXRCSIAU-RPVQJOFSSA-N 435.502 0.329 50 20 ICGD Cc1ccc2c(O)c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc2n1 781234620 SLJRSDCBGJZFGA-INIZCTEOSA-N 438.396 0.788 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 782003733 XLXBEBVLSYENKH-OCCSQVGLSA-N 441.897 0.714 50 20 ICGD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967602 UTLAKPDWULACSK-CHWSQXEVSA-N 443.504 0.478 50 20 ICGD Cn1cc(C[C@H](O)C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cn1 786707090 YIFYESSNGXQXFW-HNNXBMFYSA-N 449.514 0.647 50 20 ICGD COc1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1OC 788181584 ABWLOXYKLABIIN-HNNXBMFYSA-N 434.376 0.987 50 20 ICGD O=C(COC(=O)c1ccc(O[C@H]2CCOC2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 789198811 HAGQVOLADVBJTP-QFBILLFUSA-N 442.424 0.999 50 20 ICGD CCc1csc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 789731943 IYJJEDNIHVIHLN-UHFFFAOYSA-N 439.519 0.421 50 20 ICGD CCOC(=O)CON=C(C(=O)NNc1nc2ccccc2c(=O)n1CC)c1cc[nH]n1 789953458 VRPXPUNXDGOGQF-UHFFFAOYSA-N 427.421 0.567 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 792856511 ZTXMYFGWMGSWLH-HNNXBMFYSA-N 433.552 0.708 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2nnn(C)n2)cc1 799457563 ALNMPVKJOOBZFE-NTEUORMPSA-N 436.432 0.608 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)C3CCC3)cc21 800623617 SJIKLKKCBSFGRX-UHFFFAOYSA-N 428.493 0.753 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 807383244 QZBUYOIHEQPRPF-AWEZNQCLSA-N 427.502 0.215 50 20 ICGD CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 807528645 ICWYRZAOIBCHNZ-LBPRGKRZSA-N 429.455 0.118 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 810585919 NYFHTPRMVISFER-UHFFFAOYSA-N 442.432 0.827 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)n1 815566011 GOCKSWCHSAPYCI-UHFFFAOYSA-N 438.437 0.898 50 20 ICGD CN(C)N(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 915827506 AIUWPWOVJRPCJD-GFCCVEGCSA-N 443.323 0.651 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 920432381 WTUOGDUXFCNYJN-UHFFFAOYSA-N 429.458 0.585 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1317916663 ZJZICBMAWVYJBZ-ZDUSSCGKSA-N 435.506 0.575 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3cccnc23)cc1 1353583440 NKCKQALHNVYLDC-ZDUSSCGKSA-N 428.470 0.969 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@@H]2C[C@H]2C1 1779266892 ZFRZFXDZUKJXHD-YXFNAXCISA-N 449.596 0.214 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779377167 FWGSHFFWHHQUMF-CXAGYDPISA-N 449.415 0.769 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779527726 RLULWHSFDVDUFZ-PMUMKWKESA-N 430.343 0.976 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1782171979 IQDRLOWZXAFOBA-IIDMSEBBSA-N 443.888 0.559 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933123 CNJMZHUTQRSEHM-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1 1783938177 WIDVQOHQMRZJSW-QFIPXVFZSA-N 434.512 0.961 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@H]21)[C@H](O)CCl 1784084552 XUDFCAXDLKVZRZ-SJMGXHDFSA-N 434.876 0.986 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788595330 LEVKXBCWHVURNN-HJWJTTGWSA-N 437.924 0.595 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1790958503 RRWHJNVAXHYTPK-FQUUOJAGSA-N 432.315 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1791254068 KKHZCTYORKZHBO-AYDFFVQHSA-N 427.885 0.243 50 20 ICGD CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1792297181 LRLALZVWFOYJHZ-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1792868005 QAHANQIKQULOEU-XYTFPVCRSA-N 425.327 0.702 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCCC1)c1ccc(B(O)O)cc1 1794056991 DZIMFXILKQCDSB-REPLKXPHSA-N 427.310 0.021 50 20 ICGD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795346560 IIEPFSFXXFLJOL-FQLMCAECSA-N 433.933 0.745 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189677 OLPQDTGLOQBJGP-HUJKARHJSA-N 449.316 0.437 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191547 XDOULBLHQIMFQJ-AJYBTWMASA-N 432.351 0.878 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1796441333 ZQDYRPODVBZQAF-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1)C2 1797753137 UXHUVXRXPZSCGA-IVWMJMPLSA-N 445.426 0.480 50 20 ICGD CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1799009081 SHPUTZDHURSYKY-VTYHHJSWSA-N 436.317 0.836 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@](C)(Cl)CCl)C4)CC2)CC1 1799191730 MBXQHTPRBHBLOU-YYAJDYIMSA-N 447.407 0.592 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1800976698 CORJUXQUKJZESA-XFMPKHEZSA-N 426.901 0.382 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1803537508 JBCMEDHQAOTGGK-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccns2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369399 IQYHGSIMZIHZTJ-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808246759 OYIDIZBHKYFKCP-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(CO)on3)CC2)C1 1809971253 NJEWMSMDBABMJL-UHFFFAOYSA-N 427.266 0.005 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974214 SKKLSCPISJQHPB-AWEZNQCLSA-N 437.143 0.995 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1810297128 AMPINBFDZJWEIJ-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1813075028 ZBVXUNAKXQFVMY-UZLBHIALSA-N 425.493 0.564 50 20 ICGD CN1CCC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1814491543 RDAFABJECIMLBW-IBGZPJMESA-N 439.325 0.737 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817474315 PZWHEFNEUJQFHN-SFHVURJKSA-N 436.281 0.601 50 20 ICGD O=C(CN1C(=O)CNC1=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823003282 YEACVKYZFDMCDU-UPONEAKYSA-N 448.274 0.297 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004912 WUTAPBHRPQASEA-AMXGMDGSSA-N 436.307 0.338 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1825447268 UQIWHABVOCAROB-RKDXNWHRSA-N 428.316 0.915 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)CC2 1825994496 MFQCUMURAQSFCV-MXWKQRLJSA-N 437.971 0.990 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1 1826357586 AYNXRBYNPFDPBC-GJZGRUSLSA-N 431.375 0.984 50 20 ICGD O=C(O)CSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060285 FSPWFMNNMISMEW-GOSISDBHSA-N 448.350 0.418 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737974 JETCTDZUELNXKM-KUHUBIRLSA-N 448.850 0.958 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830894908 HTLQJPAVUNUUAJ-PXNSSMCTSA-N 427.929 0.620 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831644512 YWRIDWMHDWBBDV-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD C[C@@](O)(C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1833638509 DKZCZODNLMVIPG-XJKSGUPXSA-N 429.867 0.471 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1CCCC1 1834358772 JEMAUIFJYWIPBO-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1834924104 QUKNFXNAQBFSFT-UHFFFAOYSA-N 447.584 0.530 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835096916 SJIFMKNDJMIGQD-OALUTQOASA-N 437.972 0.123 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838785047 DNLJHXLMUJGHMS-INIZCTEOSA-N 438.974 0.674 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839144470 AUXFXBHDWZVRGM-KUHUBIRLSA-N 442.900 0.785 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198018 PYXSUTKZJSAIDD-WVSRPDOZSA-N 437.262 0.253 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1ccnn1 1839708972 RUJRNZWICWWPKV-QAPCUYQASA-N 425.562 0.147 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840149377 NOCYAQRIOVLVOS-KSSFIOAISA-N 429.926 0.694 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1840151393 AHCUZEDBYQTSEP-RIFZZMRRSA-N 441.912 0.572 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409991 PBZUNBJHYKONIZ-DYVFJYSZSA-N 443.298 0.095 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840602516 IDWYKFXLVNBOEM-HSZRJFAPSA-N 442.321 0.017 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CC1 1841354819 YQOYEIDPKFRTIL-OAHLLOKOSA-N 444.960 0.342 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012760 OCWZAEBDEKLQPN-UHFFFAOYSA-N 445.325 0.488 50 20 ICGD COc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844263491 KLRGNCPITYMXQA-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)Nc2ccccc2)CC1 1847837742 SPRVYBLHSXNURF-PMACEKPBSA-N 447.300 0.601 50 20 ICGD COC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848098611 LSKKGZCBVYYCRC-AVGNSLFASA-N 432.905 0.676 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c2ccccc2c1=O 26546934 KHFMYGNGIWFJCV-UHFFFAOYSA-N 448.439 0.543 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cccc(CN2CCOCC2)c1 110747197 OIKMJTAQQBGVQV-UHFFFAOYSA-N 431.518 0.887 50 20 ICGD O=C(NNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)c1csc(N2CCOCC2)n1 727764885 STMFBDQJKHNRMY-SFHVURJKSA-N 445.545 0.939 50 20 ICGD COc1cc(C(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC(F)F 728178380 AIRYTCHETYZMJI-LBPRGKRZSA-N 435.449 0.519 50 20 ICGD O=C(COC(=O)Cc1cnn(-c2ccccc2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 728329868 WVJXVNHSVYDMFX-SFHVURJKSA-N 437.412 0.340 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 728850740 ZKKDXLHFBOARQQ-ROUUACIJSA-N 438.488 0.363 50 20 ICGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 728853654 YDIMSBCWMGRWPB-AWEZNQCLSA-N 428.426 0.619 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 738476082 RRPOILUPYOPKSQ-UHFFFAOYSA-N 427.465 0.271 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 745863473 VINUDBFIXWPYQS-MRXNPFEDSA-N 443.552 0.805 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)o1 746391936 IWVVERSSXAZBFI-UHFFFAOYSA-N 428.449 0.142 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 749563421 LEYZFZCJHXYZPO-MRXNPFEDSA-N 449.427 0.457 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)nc21 753668986 ITRJEIJRIHATMW-JTQLQIEISA-N 426.503 0.195 50 20 ICGD NC(=O)CSc1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 756131279 RRIFINOQXORJCB-OAHLLOKOSA-N 445.453 0.408 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1-n1nnnc1C 756320746 QCQVRPKOTHDZJZ-UHFFFAOYSA-N 445.461 0.849 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c1 757781459 SLXZZPGXPMRLGF-UHFFFAOYSA-N 436.490 0.741 50 20 ICGD O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757807198 ZPJFRQHFNGRBRZ-UHFFFAOYSA-N 434.434 0.663 50 20 ICGD COC(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 758901342 ZNTRDSVTVRUKAQ-KRWDZBQOSA-N 428.397 0.546 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)nc1 762877439 GUBFNFUZPZGXIQ-UHFFFAOYSA-N 442.837 0.009 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C(=O)N1CCCC1 763569818 CFXIOYNDXUAMRX-GOSISDBHSA-N 438.440 0.849 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1S(C)(=O)=O 763682684 UDQCKZYXFXBAAU-UHFFFAOYSA-N 435.458 0.654 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3scnc3c2)c1 763718905 RUTHTUGGMFAKFI-UHFFFAOYSA-N 447.498 0.946 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2c1=O 763790600 KWLVLMSOUYIQFS-UHFFFAOYSA-N 444.791 0.895 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 763823225 CFACJTWZBVPCLQ-BRWVUGGUSA-N 441.488 0.325 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764152867 HDOJYBHAJSTOSG-HNNXBMFYSA-N 435.433 0.709 50 20 ICGD Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226608 JDYJIMWGAHGSJA-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1NC(=O)C(C)(C)C 764227948 SPJUUPBZINSBHE-NSHDSACASA-N 441.510 0.003 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1-n1cnnn1 764287848 BEOMZHOXGXXXQM-UHFFFAOYSA-N 425.405 0.095 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)nn1CCCOc1ccc(F)cc1 764434269 PWESPRWMAWIPTM-INIZCTEOSA-N 449.439 0.301 50 20 ICGD C[C@]1(c2cccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2)NC(=O)NC1=O 769017984 VWBRPKWWSPUNHK-HXUWFJFHSA-N 443.485 0.939 50 20 ICGD CSCCNC(=S)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 769765622 NBONFGHMTMVLJN-UHFFFAOYSA-N 433.581 0.124 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 771605933 FQCXBZYVYMQGAD-UHFFFAOYSA-N 429.813 0.803 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1F 773890210 QPAHDOVJSNMRJB-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@H](C)O)cc1 779512366 WNRRTYVLGTWZIG-SWLSCSKDSA-N 432.462 0.611 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCOC1 780862435 MOTVKXORUWOQAU-ZBFHGGJFSA-N 440.522 0.467 50 20 ICGD COc1ccc(C(=O)NNc2ncncc2Cl)cc1S(=O)(=O)N1CCOCC1 781820129 QTDCVDPLUIKEAP-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD N#Cc1ccc(-n2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)n2)c(Cl)c1 783998551 BEXYQKRZKGJYBP-UHFFFAOYSA-N 429.824 0.106 50 20 ICGD N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)n1 783999534 POXQJIZAHQYCDI-UHFFFAOYSA-N 429.824 0.106 50 20 ICGD CCNC(=O)N(C)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 785834760 JKOVCZXFLAXDNP-CYBMUJFWSA-N 441.510 0.958 50 20 ICGD Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 787556365 VRMWNMAUJVTZSQ-UHFFFAOYSA-N 432.487 0.726 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C[C@@H](C)O1 788165432 BVEYEWWJCMYLCU-GASCZTMLSA-N 439.538 0.086 50 20 ICGD CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 792821426 VDDUFMAOOFKITH-UHFFFAOYSA-N 448.501 0.988 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(C)C[C@H]2C(=O)NNC(=O)c2cccc(C)n2)n1 794086670 VGVZWHYHPASVKO-HZPDHXFCSA-N 438.488 0.978 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 795280410 GYOGESUXPZWQAN-UHFFFAOYSA-N 444.535 0.987 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1C 796991050 ZHQPYJPMJZQNHS-AWEZNQCLSA-N 431.449 0.535 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(C)n2)cc1S(=O)(=O)N1CCOCC1 797607656 LGTWAEPJMCHOHV-UHFFFAOYSA-N 449.489 0.886 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CC(=O)N4CCCC[C@@H]34)CC2)cc1 799483701 RQDOBWQCKHTFFS-IBGZPJMESA-N 447.561 0.558 50 20 ICGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2 802093645 VJWOQOKVEXOCAL-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3O)c3ccccc32)N1 806972801 MAIBWGKCWWWVJK-ZIAGYGMSSA-N 438.440 0.189 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](c2nncn2C)C(C)C)cc1 807433781 ONZDOXGSFMQTMX-INIZCTEOSA-N 437.526 0.472 50 20 ICGD CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 810396563 YDPJNEDWMCDEJF-UHFFFAOYSA-N 445.245 0.695 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O 913571599 VBOCYAIGSVRLDA-UHFFFAOYSA-N 447.448 0.295 50 20 ICGD COc1ccnc(NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)n1 914762807 LKODGBSPZLJGRY-CYBMUJFWSA-N 441.897 0.815 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 916247225 JUFWETVIDNNMMB-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD O=C(CCN1CCOC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919810353 BGTRYLRCZYVBKZ-UHFFFAOYSA-N 446.485 0.768 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)NCC1CC1 920860215 SDQSDFVEMCUPQF-AWEZNQCLSA-N 430.914 0.614 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921247657 ITBASTVKAPPDJM-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](B(O)O)C3)CC2)cc1OC 1118916863 YJAYHMXZHBUTGK-CQSZACIVSA-N 426.300 0.180 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1317864247 NQLOYLMWKUFYEI-UHFFFAOYSA-N 428.474 0.925 50 20 ICGD NC(=O)c1cnc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 1324608211 WXPQZPAJGVLIKX-UHFFFAOYSA-N 444.879 0.053 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCCC(F)(F)F)CCO2)C1 1779029290 VKHCHBXJVODDAP-SFHVURJKSA-N 443.426 0.861 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 1779031695 WMBZZJCYIUIDAX-HXUWFJFHSA-N 429.502 0.433 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1783965811 SUIWNWMGTZZUTM-URBCHYCLSA-N 443.298 0.512 50 20 ICGD COc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083959 IHLCOYCCKVFUMX-XSWJXKHESA-N 426.897 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(F)cc3F)[C@H]2C1 1784770888 LGEZDIBBOIMAAT-NOLJZWGESA-N 439.463 0.326 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(C)(C)C)[C@H]2C1 1784947387 AOUXQASXMOMPBE-SMKMMKTPSA-N 447.536 0.915 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786979377 BPBYZQHLDJMCRL-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788794255 URIZXMNKXBYVAF-AYDFFVQHSA-N 440.928 0.772 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790960806 ACBNGRSUHBEWOT-HPCHECBXSA-N 433.347 0.587 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3Cl)C[C@@H]21 1791286744 IUGDVPMAZLDJNV-BPUTZDHNSA-N 437.928 0.701 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21)n1cnnn1 1791685104 JJEGRHUPIWBDPY-PEDHHIEDSA-N 429.319 0.245 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2)[C@@H](O)CCl 1792974796 CHTYOBOZVYBAHJ-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c([N+](=O)[O-])cc1O 1792980551 LKZWWISVUXLYQV-UEVPNFDOSA-N 443.840 0.112 50 20 ICGD CC(C)c1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)no1 1794273064 VVJHQLMOSADYDG-BJWYYQGGSA-N 426.282 0.367 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C(C)(C)C)c1 1794300403 UKWVAETZWLHOCH-UPHUGPLXSA-N 445.564 0.955 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740899 NEKVBRDLGJCMKL-UDIDTPLLSA-N 435.289 0.068 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2 1796441913 GGGYNEXPIKGLNI-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)OCCO2)c1ccc(B(O)O)cc1 1796718515 POUZHEKKSSFVEX-BJWYYQGGSA-N 437.261 0.098 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)[C@H](F)Br 1796888416 YYSXKTDUZCCISA-OPDFLTKYSA-N 440.335 0.741 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccs1)C2 1797749800 UZVUJJVIMBYMSK-HBCWATKFSA-N 443.529 0.583 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797936816 QGIIRWFKTBUFAF-YVSFHVDLSA-N 443.386 0.962 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(C(F)F)n1 1798681818 GGYOJFFKNYUJEN-FVCICTRLSA-N 442.467 0.163 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800765115 DHFKMDULPIPQQM-LPYJRYEISA-N 447.919 0.740 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(F)Cl 1801089252 SIDOMYGTMBWEIY-AJZHHTSVSA-N 439.875 0.635 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805246997 VUONPWKQIXVWJZ-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2=COCCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375182 PSLXFGKSJBAWPE-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1 1807671158 JVAAMKPHKHWTKS-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3nc4ccccn4n3)C2)CC1 1810474166 AQUWLRBFTXWCAR-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1813031327 LPPOJYKRBHDNFV-ZQIUZPCESA-N 446.895 0.544 50 20 ICGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)CC1 1814574186 CZCMKGMNGHHRRN-TZMCWYRMSA-N 429.974 0.292 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)o1 1817538376 KRTZLNIMNXUSPY-CQSZACIVSA-N 432.485 0.709 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cncn1 1822763181 NKYKSACTYLNFBK-GUYCJALGSA-N 437.269 0.248 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823786965 BKSBJZZRJUDYSZ-SFTDATJTSA-N 443.353 0.514 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cccc(B(O)O)c1 1826099148 RWGZBVKYOVRJRS-JTQLQIEISA-N 428.106 0.852 50 20 ICGD O=C(CC1(O)CCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055461 XQEBWNVTFBMZSM-HXUWFJFHSA-N 428.338 0.905 50 20 ICGD CCSc1cccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731650 LPJWEPAFMOXVLZ-IFXJQAMLSA-N 443.953 0.863 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736862 XCQMVIZPXBYVDH-BEFAXECRSA-N 440.859 0.143 50 20 ICGD Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)n1 1834421112 GGDOIZLQFZQAEF-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834819243 LSQDCZIEOYEMFO-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834822176 BRIIEFSOGIVICB-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835820100 AAVCYZCXELEKBG-YOEHRIQHSA-N 430.977 0.463 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858981 LIGQLCUFIPPJBC-BDJLRTHQSA-N 431.287 0.359 50 20 ICGD N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1836169749 VDOVBCXICILFQI-UHFFFAOYSA-N 449.320 0.065 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838081095 FTQLMOLVHNMLBB-CQSZACIVSA-N 442.900 0.754 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1838218878 UYAZPRRNZZRVED-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649436 PHRDBWMSZQDNOF-OXQOHEQNSA-N 440.928 0.979 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840153743 YXHABHUMQYFRAX-MGPUTAFESA-N 436.896 0.887 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1842347876 UGHXOZZFHHKYOR-LPYMAVHISA-N 427.465 0.380 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnc(N(C)C)o2)C1 1842359856 ISCPRHWNMOGRSU-YDZHTSKRSA-N 427.465 0.692 50 20 ICGD CC(C)COc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccn1 1843011236 HSVQSVSLJPCSLP-UHFFFAOYSA-N 437.305 0.927 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011402 ZATBNWGSOZJAJC-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413195 XKMKFFMIBAGIOY-CYBMUJFWSA-N 436.372 0.646 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411634 MXVOTUCRYHUPFI-SRZZPIQSSA-N 428.409 0.269 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847755162 NQWYHRFABGZZBK-FHWLQOOXSA-N 436.273 0.412 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1 12702076 ZXPBJJGITNISJH-UHFFFAOYSA-N 438.897 0.528 50 20 ICGD NC(=O)NCCCCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14847369 PPZDAZZAUINRSI-UHFFFAOYSA-N 425.511 0.461 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(N)=O)c1 725897124 WABVEPKQMOXJDM-UHFFFAOYSA-N 435.462 0.315 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 726239247 YEXBGVQNHIXTIE-KRWDZBQOSA-N 427.552 0.016 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 730780394 WJHNAZJKSPVVFP-RHSMWYFYSA-N 433.461 0.900 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O 732327661 PNWDCBGCNCJQOU-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 733043057 LEQOCKNRCUQXHI-UHFFFAOYSA-N 436.490 0.452 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 735584752 YRXMBKUSZYNGTN-SUMWQHHRSA-N 430.465 0.722 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2n1 742031179 CGQYVCBLHCWQIT-GFCCVEGCSA-N 430.490 0.713 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Br)s1 742479793 FXUPSFVCHBRMED-ONAGUOBHSA-N 428.264 0.434 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(COc2ccccc2)o1 742482741 JGKGZQJURWBZAU-LTDCPUDJSA-N 439.424 0.782 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742502302 CRGQIJOLJKQNEF-UHFFFAOYSA-N 425.850 0.682 50 20 ICGD Cn1c(CCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O 744523909 XGAXZBHVASCUEM-UHFFFAOYSA-N 433.424 0.742 50 20 ICGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747786030 HCNWJXNPQUTTND-RBUKOAKNSA-N 435.484 0.749 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnnn1C)N(S(C)(=O)=O)CC2 751135553 ZIFYLKYMRZTZHL-HNNXBMFYSA-N 436.494 0.232 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC2=O)c1 752299805 RNLFQJZRZPGSNX-GFCCVEGCSA-N 430.417 0.227 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1cc(C)cc(C)c1)OCO2 753841712 SWQSYUSMEOLYNX-UHFFFAOYSA-N 443.412 0.984 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 758031606 WZSMJDOPWQIBKD-OLZOCXBDSA-N 434.559 0.745 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC1(C)OCCO1 758854725 QANSCZSFCSCTPW-CYBMUJFWSA-N 428.511 0.670 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 760159252 PSKYSVYMUROELC-UHFFFAOYSA-N 443.485 0.880 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)c(Br)c1)N[C@@H]1CCS(=O)(=O)C1 761948392 DKGLCCWDRVWOHK-SSDOTTSWSA-N 446.732 0.782 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1cnc(-c2ccccc2)n1 761953359 RSHOAUFBKIAVJO-UHFFFAOYSA-N 447.499 0.551 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNc2nccc(N3CCOCC3)n2)=NN1c1ccc(F)cc1 762855950 QCPFUVGROLRGCY-HNNXBMFYSA-N 428.428 0.016 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 764229644 BLEFSXLJYNBMGL-OAHLLOKOSA-N 446.529 0.886 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 764387737 MHABXQDVSABIAX-UHFFFAOYSA-N 440.391 0.480 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 764401035 UCFYCDOXKLZUKB-LLVKDONJSA-N 426.857 0.604 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764548646 VBJXEPYNPCUDJV-UHFFFAOYSA-N 442.476 0.384 50 20 ICGD C=CCc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O 764816393 JHXLNUQHQLCVPR-UHFFFAOYSA-N 426.433 0.027 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1OC(F)F 764817366 LDCIHQVTCMDAKR-UHFFFAOYSA-N 438.366 0.715 50 20 ICGD C[C@@H](O)C(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 766022898 IJCHCAGMBOTGRY-OAHLLOKOSA-N 425.489 0.709 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1 768453044 CXPIZCWNTUOXEJ-UHFFFAOYSA-N 447.473 0.225 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 769462310 MOCHGTMPIWDSPJ-UHFFFAOYSA-N 439.476 0.518 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCN(C)S(=O)(=O)c1cccs1 772015345 IACPRXYBOHEESK-UHFFFAOYSA-N 426.520 0.950 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)nn1 772845277 WADZSIYKVNCGGV-UHFFFAOYSA-N 447.927 0.763 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 773028114 XWZOBUPCVOHFAL-UHFFFAOYSA-N 425.442 0.497 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 773419413 NEKAMYPELCHQBT-CYBMUJFWSA-N 425.486 0.455 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 778433253 HOPAFMIGAPAIEL-GFCCVEGCSA-N 446.551 0.882 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 782002543 OXBICTAJZAJPSI-ZBFHGGJFSA-N 438.893 0.249 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 784003528 IEUOUJJMVSKYJU-UHFFFAOYSA-N 425.810 0.826 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cc2)CC1 784832097 ZCABTFJTIASLCM-UHFFFAOYSA-N 440.460 0.993 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787562084 HSAZVKUJRJRCRC-UHFFFAOYSA-N 427.483 0.111 50 20 ICGD Cc1nn(C)c(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 788276286 VIWKKEZNYMJYDZ-UHFFFAOYSA-N 426.437 0.092 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OC 796992672 VFSMMXCEBOMZHT-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](O)c1cccc(Br)c1 799911819 KVMBQHDESRVXJP-LBPRGKRZSA-N 425.239 0.836 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 916433324 ISOSGPCLHULHKR-UHFFFAOYSA-N 437.444 0.770 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)cc2C1 919691125 WBZJVSWNCWMLTB-SNVBAGLBSA-N 429.502 0.837 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)c2ccccc2c1=O 1251989483 DXPQAJBOYRLENQ-OAHLLOKOSA-N 442.520 0.861 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(C(=O)NC)n2)c1 1319235042 FOYPZTWFGAUQHH-UHFFFAOYSA-N 433.490 0.547 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1341794726 MSDRTDYNWMAIDD-KXBFYZLASA-N 433.490 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777730264 ORTUFWZIBMTHBK-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778307808 NKWLOYNWDZYSAQ-QGZVFWFLSA-N 426.200 0.152 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379237 DOLZZEHZGNEQRZ-FQEVSTJZSA-N 437.928 0.725 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780742944 RKBMQXPQQOOHLL-VCOZGABYSA-N 439.472 0.970 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783347313 GWHZZPDQASNVCB-SJCJKPOMSA-N 437.298 0.741 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783538696 ZCTSVWFQEOTBQR-PXAZEXFGSA-N 427.299 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1783936687 ZCPQYPVLEYLTNI-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1785370729 NMFFLLLXAVNJMT-KXBFYZLASA-N 431.917 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)(C)C)C[C@@H]21 1787508671 HAIGZCFQDSFJTI-GZERKGCBSA-N 446.552 0.488 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788699167 LASCJEXZKFEVKW-BODMPHMZSA-N 433.509 0.092 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1C[C@@H]1c1ccccc1 1791203651 FSFIDOZIENPOON-UVVBHOOISA-N 448.328 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(O)CCC3)[C@H]2C1 1791821268 ITSNUAHKQIAEIO-SMKMMKTPSA-N 445.520 0.405 50 20 ICGD CN1CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1792683897 GYWYBHFJQBQFSZ-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)[C@H](O)CCl 1792983528 LVZAFFBODDXGEL-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1796440973 IAGRMGZYAFWOOF-POKDIBPUSA-N 440.460 0.124 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1798875603 ITYGHVXQLPBIRR-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800762054 MEAGRWGICKNHRR-LSSIXWDNSA-N 427.299 0.488 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNc3ccccc31)C2 1801012914 FACOQDNCESDTNR-ICDONNSOSA-N 429.521 0.158 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802654744 ORSGXIKTYLLOAU-GHTZIAJQSA-N 425.294 0.506 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1803537087 GJWHAFHWVDGACY-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362220 FRGLEWINBNADRG-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810318226 IDHQUOIKHDIFHC-OWIUFQIYSA-N 432.912 0.978 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815333179 JIDUSTPLTUAMIS-LURJTMIESA-N 442.288 0.904 50 20 ICGD Cn1cncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339569 HNKUSSBLECOSIP-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)O1 1817471229 DDJJCGZHOYKASE-FSPWUOQZSA-N 426.282 0.963 50 20 ICGD Cn1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1822834006 NFQCSLMAUMZYJJ-SFHVURJKSA-N 436.281 0.372 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720059 RVRFDUGQKRZIGI-VQIMIIECSA-N 441.868 0.193 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725898 SLSBKVSCPKHVHV-KSSFIOAISA-N 433.839 0.689 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)n1 1830738366 NXEFUGSNFFEUHN-GHTZIAJQSA-N 439.940 0.687 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](Cl)COC)CC1 1831830708 HETQQDUYINBYTL-ARFHVFGLSA-N 433.933 0.924 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccnc(Cl)n1 1835910125 QREHJASFWKGJHG-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccs1)CCO2 1836092035 NGXXRYVTQHUTRU-HXUWFJFHSA-N 438.550 0.120 50 20 ICGD COCCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718318 VDMZSYNKNMNMEP-SFHVURJKSA-N 442.944 0.741 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836918895 MKOOPRWLVNRPJC-SJORKVTESA-N 430.977 0.985 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097530 QWYYMMMARYNSRM-FZKQIMNGSA-N 441.326 0.683 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805389 JYULYPSCVIOQSH-GUYCJALGSA-N 446.298 0.410 50 20 ICGD N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1F 1839185849 NYKGTOSCOPWGCO-FXAWDEMLSA-N 439.871 0.296 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199036 HORJSOJGFHTJDQ-GWCFXTLKSA-N 447.204 0.243 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201815 KCWINIWGHBSENG-IOASZLSFSA-N 438.294 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839737081 XZSGHSBYGFDLTE-DJPFJPOOSA-N 437.924 0.733 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840150448 LETWDCUZGJBDDS-JXFKEZNVSA-N 441.912 0.343 50 20 ICGD CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924090 UHWKZOZUPAAILL-ZDUSSCGKSA-N 445.948 0.593 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843211618 AADDDKMDIHCBDB-UHFFFAOYSA-N 434.183 0.306 50 20 ICGD O=C(Cn1ccc2c(F)cccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847534488 YGMDPSDCXUCGKN-SFTDATJTSA-N 435.264 0.976 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 726075995 RTKHRZBPSJBMIB-UHFFFAOYSA-N 442.485 0.858 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 726537105 JQYSAXYZQCVRGZ-BAPRJRNISA-N 436.472 0.688 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(O)cc1 727541788 DVEHZIMAMDOTGQ-UHFFFAOYSA-N 435.820 0.788 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 728070911 KZTXSPWWQIVFGZ-UHFFFAOYSA-N 435.491 0.954 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)CC1 728213533 DMPAVIMETUVBNU-IBGZPJMESA-N 444.513 0.848 50 20 ICGD O=C(NNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 728269478 NTQDOYMCPFYRPE-LBPRGKRZSA-N 448.423 0.963 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728504384 OKAWMKXLRGCPJH-UHFFFAOYSA-N 439.837 0.319 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 728513182 SYOVAIQLHZYBDF-XJKSGUPXSA-N 438.912 0.999 50 20 ICGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728599189 ZXTGSSIRXCRNGK-UHFFFAOYSA-N 425.392 0.065 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728890201 ZZFXDRKYIXIBQM-GFCCVEGCSA-N 438.535 0.269 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(C(=O)NCCN(C)C)CC1 728926072 WQLSZSCILIFZIS-UHFFFAOYSA-N 439.944 0.499 50 20 ICGD CCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(Cl)c1O 730569121 OLHFVFMKBQIWRH-UHFFFAOYSA-N 427.870 0.479 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 730780212 KKRADYJCHSSLDX-MJBXVCDLSA-N 435.502 0.825 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 732196801 HBZLQPVSEZZOQF-LBPRGKRZSA-N 427.483 0.066 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732321958 AZIZGUHMODDTTR-UHFFFAOYSA-N 439.384 0.618 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)c2c(F)cccc2F)c1 732997262 XLWLJESPHHNDBM-UHFFFAOYSA-N 440.428 0.742 50 20 ICGD C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)CC1 733150869 ZCVGVMCKRIHDMS-QNGOZBTKSA-N 425.533 0.942 50 20 ICGD Cc1ccc(-n2c(NNC(=O)CN3C(=O)C(=O)N(C)C3=O)nc3ccccc3c2=O)c(C)c1 733263207 NZBSTCRMWFHWIO-UHFFFAOYSA-N 448.439 0.866 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 743254433 PQZRCFTURNSFDW-VIFPVBQESA-N 426.314 0.437 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744468258 FCVYAABTAJURMG-UHFFFAOYSA-N 430.442 0.427 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cs1 744620581 LDLLTJXAGNCXOA-UHFFFAOYSA-N 446.532 0.173 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4c(cnn4C)c3)cc2)CC1 747519264 WLZCKJHMIZSPNS-UHFFFAOYSA-N 429.506 0.661 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc2c1=O 753563487 NZXBDNASMMJSNK-UHFFFAOYSA-N 447.473 0.694 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755231991 WTZVPSKQACPNSE-VIFPVBQESA-N 435.256 0.417 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 755742788 CSYZGERAFLJLLP-LBPRGKRZSA-N 429.520 0.990 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC 756601528 NWPGNKQGCRAODR-WMLDXEAASA-N 427.523 0.752 50 20 ICGD CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc21 758076881 XGJOHFRFKYKUDF-UHFFFAOYSA-N 436.877 0.971 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 763571284 LTIHLPLYVXICJO-KRWDZBQOSA-N 442.476 0.466 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763573694 UKCHRWXZJAGGNW-MRXNPFEDSA-N 429.385 0.164 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 763662978 DDILDJKDISWNPW-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C)nc2C)cc1 763739072 YJOSSSYCOQAHQL-UHFFFAOYSA-N 433.490 0.413 50 20 ICGD CC(C)(C)OC(=O)NCc1nc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cs1 763825119 QGVVKMNWTBGFFX-UHFFFAOYSA-N 434.478 0.754 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(OC)c(OC)c1 763837233 BGFANJWNZAXDQN-UHFFFAOYSA-N 449.391 0.794 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763849597 KQYBFRIABFXXBQ-LLVKDONJSA-N 430.392 0.734 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763979602 ZHZXEODVMLJOEC-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 764202857 LFJGEICTFDVYBB-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD O=C(CCn1c(S)nc2ccccc2c1=O)NNC(=O)CNC(=O)c1cccnc1 764342843 IWYRSHLCOJXFKF-UHFFFAOYSA-N 426.458 0.048 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 764352030 XMBZIVOPDUNVLD-UHFFFAOYSA-N 445.443 0.945 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1I 764358229 GXKATDYAVKEPTO-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764426035 SDDVGUODVZYHQD-AWEZNQCLSA-N 426.857 0.323 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cn(CCC#N)c3ccccc23)n(C)c1=O 764813238 VVRFTHDJIBBKEB-UHFFFAOYSA-N 432.444 0.452 50 20 ICGD CS(=O)(=O)c1ccccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635640 BONYPKHQJIHYOZ-UHFFFAOYSA-N 444.513 0.309 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 769766598 XATWNNPEHYHYSC-GFCCVEGCSA-N 433.625 0.918 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)n(C)n1 770401298 VOMGYOCTFQUJDT-GFCCVEGCSA-N 442.484 0.760 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)[C@H](C)Oc2cccc(Cl)c2)C(=O)NC1=S 772180426 XCKXYKDECFYHMS-AVMBBCFPSA-N 426.882 0.502 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 782054019 XUURMRYMWDZLKP-HNNXBMFYSA-N 443.595 0.468 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1csc(N2CCOCC2)n1 784295237 UYZKSAVLCYQLLZ-HUUCEWRRSA-N 449.533 0.182 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(Br)cn2)cc1S(N)(=O)=O 784342043 XRRSFCOVMWPXDX-UHFFFAOYSA-N 428.268 0.882 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2[nH]1 792351099 OWVBLQNTNNAZEU-QGZVFWFLSA-N 437.412 0.453 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ncccc1C 799259413 WBGNSERPZVOBLW-MRXNPFEDSA-N 425.445 0.708 50 20 ICGD CSSCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 803477758 JTDQSQJIPREIOE-ZDUSSCGKSA-N 426.607 0.896 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC/C=C/CNC(=O)OC(C)(C)C)c2ccccc2c1=O 812466387 JHEVBRMOJYWSOJ-BQYQJAHWSA-N 430.465 0.958 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1C 814523108 GHJDEVFGOBUNIZ-UHFFFAOYSA-N 444.469 0.919 50 20 ICGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693244 QBAPPGLZHIIRGY-CYBMUJFWSA-N 428.449 0.537 50 20 ICGD O=C(NN=C1CCS(=O)(=O)C1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 912806691 YWYOPFIWTMCCHW-UHFFFAOYSA-N 437.499 0.775 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(C)c12 914687939 IJWVURBJQVRWMJ-INIZCTEOSA-N 425.445 0.798 50 20 ICGD O=C(COC(=O)C1CCN(c2cnccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914908132 YTEHVFUFLOOHAU-UHFFFAOYSA-N 428.405 0.606 50 20 ICGD O=C(NCc1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915888699 OOIOFLGZHHERRV-UHFFFAOYSA-N 436.465 0.991 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCCCC2)c1 916473200 GCCHQGVDRHUYSV-UHFFFAOYSA-N 439.538 0.674 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)N[C@H]1CCS(=O)(=O)C1 919887276 ZAPSTEIVRSKLGX-VIFPVBQESA-N 432.384 0.417 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)Cc3ccccc3F)CC2)n1 921191486 BEHGQWHVSPFFNY-UHFFFAOYSA-N 433.509 0.667 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNc1ncc(F)cn1 1116408489 MFYZJQHUDGTWAN-CYBMUJFWSA-N 429.861 0.946 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779465750 ALPCUKXSQQFFBY-ZWDAVXSWSA-N 432.326 0.307 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522188 SVVAKDLDPNFZBF-APPDUMDISA-N 441.282 0.649 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1781230604 VZCBZNVQDKICEG-SJORKVTESA-N 431.276 0.855 50 20 ICGD O=C(/C=C/C1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781284260 UVDUHFLKHXJSEB-ZUTVHTERSA-N 426.322 0.946 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1781900892 XQBRAKWFHOZPQR-XJKCOSOUSA-N 439.372 0.718 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1783932812 GIKDMCFWVQTEIZ-LJQANCHMSA-N 439.900 0.257 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094931 VRGITTQEEJYUAO-QTVXIADOSA-N 433.933 0.479 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1785069259 ILXKGSRRILMFQU-NRFANRHFSA-N 446.671 0.916 50 20 ICGD Cc1nscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611537 KUMQBGYTFLCNHN-NUTKFTJISA-N 444.517 0.357 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1)n1cnnn1 1791917903 COWKFSMZTBLATB-CQSZACIVSA-N 428.497 0.741 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1792872109 MFCLIOJWYUZCSQ-KQXIARHKSA-N 432.344 0.517 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792979987 AJPNTLFVFWQMOM-KOZDUTSQSA-N 430.860 0.646 50 20 ICGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795736878 OWODVBGVCBQZML-LOODEUFTSA-N 436.317 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnc1C)C2 1796441326 ZCEZCTINIXNOKE-MGRLTOJPSA-N 444.517 0.789 50 20 ICGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(C)n1 1796696117 HVUXKLWOGWTOTB-RMFSNUHRSA-N 437.305 0.149 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798307250 CXVLJWABGUTMQP-MGGJZVGQSA-N 441.496 0.092 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1 1802529853 NVOBRHYWDSLSTJ-HBGVWJBISA-N 443.504 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCC2)[C@H]1c1cccnc1 1802561046 WWEJAVDIUAVJID-PGRDOPGGSA-N 430.553 0.556 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)C1 1805383625 UCEVMEICMAUKGU-ZIAGYGMSSA-N 431.375 0.841 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670181 GEJVOQJQCVOADP-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnccc1F 1807825585 PFPBLYKJNGQQBU-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808277342 CSSDWHSKWAPFNH-JENIJYKNSA-N 426.945 0.391 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)n1 1808654392 YXTSOSDLKUDZSD-JQHSSLGASA-N 435.912 0.844 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C(=O)C2CC2)[C@@H]1c1cccnc1 1810294022 HMVWSLKFXHZJEN-MAUKXSAKSA-N 436.472 0.379 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1O 1810659493 FCGHZYHGILPPLK-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1813071493 UCZXXWPWCNRCEY-XMSQKQJNSA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1813072778 KLAVSCFYDLBLOD-LLGFUMIMSA-N 444.536 0.081 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813073559 JCNPZMYZZROUAY-VGSWGCGISA-N 442.520 1.000 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN)n[nH]1)NC(=O)NCc1ccccc1 1817243129 PJSNCUXLGNLLEL-QGZVFWFLSA-N 442.524 0.707 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C(=O)O 1817478355 APLNMQFMQCZDED-CKDIWJPDSA-N 426.238 0.426 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1 1826357763 MQEMGTOZBHETHN-GJZGRUSLSA-N 431.375 0.984 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826563905 OKQZPGNVVPZSMD-DYLGSBMWSA-N 437.290 0.485 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054923 MZNRUWGUSCJRRZ-OALUTQOASA-N 436.745 0.854 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)CC1 1830543862 GHHHBYCOQNLZON-GUYCJALGSA-N 447.326 0.427 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c12 1830737057 ZRKJGWWGXMVIFZ-OXJNMPFZSA-N 436.896 0.312 50 20 ICGD CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832315909 OAOAILLIAHDASQ-CJNGLKHVSA-N 425.295 0.948 50 20 ICGD N[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1cccnc1 1833310763 RDOUWQSTGHSELX-RBUKOAKNSA-N 437.972 0.643 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)CC1)[C@H](O)CCl 1833310845 VTQWTVMFPOCGFS-LEWJYISDSA-N 448.995 0.872 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386253 RGWMXWAVHPYBFS-YWZLYKJASA-N 440.928 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790294 OUMHIPHIZQOONP-GUYCJALGSA-N 433.292 0.454 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c[nH]1 1835224873 JQCKGSWWNINFOJ-UHFFFAOYSA-N 432.569 0.881 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1835755853 QDWCSNXZYYUSAM-IAGOWNOFSA-N 449.907 0.587 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835807724 NMCYYHGEAWLSNN-QLJPJBMISA-N 447.355 0.887 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835937373 SHWUYKWRNPKKRB-MBSDFSHPSA-N 442.321 0.183 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837224322 MNVYCCJUBXLRAO-TXPKVOOTSA-N 434.917 0.284 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639262 DIGROKOBNGLTBE-JTDSTZFVSA-N 427.933 0.778 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1838650242 QQIQRYDJBAHRTO-IRXDYDNUSA-N 429.945 0.860 50 20 ICGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155490 VIWAIAGYVIAAJM-JKSUJKDBSA-N 426.297 0.035 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839174695 RVRHEXJXVVMOPV-SFHVURJKSA-N 447.326 0.737 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031180 HXSRHBBZQZVRDU-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1840186056 XWWGYEZYKNPEGP-OAQYLSRUSA-N 436.509 0.042 50 20 ICGD O=C(c1ccc(N2CCOCC2)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011360 VIIYLQHDPVVDNM-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847322865 VOHBKQRSWJGMFR-COXVUDFISA-N 444.444 0.862 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 14622336 DGAFPMDXODYPRY-UHFFFAOYSA-N 432.502 0.848 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 725872556 QUWVVKNPYBRNCN-UHFFFAOYSA-N 444.517 0.475 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)COc3ccccc3C#N)cc2)NC(=O)NC1=O 726282508 NOIHEEQNODTSPF-OAQYLSRUSA-N 436.428 0.522 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc(C#N)n1C 726543365 BHKBPBMFWJKKIA-LDADJPATSA-N 432.488 0.757 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2scnc2C)n1 729541278 IVVHQACZSMPUHK-UHFFFAOYSA-N 445.486 0.761 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 730203054 HDWXQIMYQWEKNB-OAHLLOKOSA-N 440.499 0.856 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 730908194 RUKXMHFJGSMUET-UHFFFAOYSA-N 427.461 0.450 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)c1 731761615 VAQANZMDLRFZRV-UHFFFAOYSA-N 437.316 0.730 50 20 ICGD CN(CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 734252123 DKHIAQYVPMKJNP-CYBMUJFWSA-N 432.568 0.325 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 734526528 WZVYNICBVYREDS-OAHLLOKOSA-N 445.501 0.618 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744596997 WJSNDJDWHXSBON-UHFFFAOYSA-N 435.458 0.795 50 20 ICGD CN(C)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 746008278 LKVJRIJTJQLDDR-UHFFFAOYSA-N 445.929 0.256 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1=O 746782896 ZEFZSCIYSVMFDT-ZDUSSCGKSA-N 434.478 0.484 50 20 ICGD C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C[C@@H](C)O1 748459465 DBDWFWDZKMSZIR-HUUCEWRRSA-N 431.493 0.389 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 748521066 IAOGSSGMKXWIBZ-UHFFFAOYSA-N 444.457 0.000 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C[C@@H](C)O1 751425869 LUVKPJBCZIGQLO-HUUCEWRRSA-N 438.550 0.659 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccccc3C#N)C2)nc1 753279996 PPMSCXTVEHLNFS-UHFFFAOYSA-N 438.444 0.728 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC)OCO2 753840763 NKDBSKBHVFCSDV-UHFFFAOYSA-N 429.385 0.539 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755513754 DIOJKODEVQTRLM-NSHDSACASA-N 432.524 0.351 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 763544289 VPHYOJSBAGWFLT-KRWDZBQOSA-N 442.428 0.005 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763576985 FPYQWKVSDHFUQA-KRWDZBQOSA-N 426.429 0.623 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)cc1 763660197 ZGHTXCVBBWDSHI-UHFFFAOYSA-N 449.485 0.713 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 763771923 HWJQEYKXCNFCMP-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 764135981 KQWSRNFTCHBLSZ-UHFFFAOYSA-N 425.445 0.549 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC 764399039 JGARMZPBRSRYRK-SNVBAGLBSA-N 432.271 0.985 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCCN3C(=O)CCC3=O)n[nH]2)cc1OC 765597505 HURYKSSCUBSZJP-UHFFFAOYSA-N 429.433 0.784 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636500 PDNZVGCXHWMJIC-UHFFFAOYSA-N 437.500 0.847 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 766664570 RVZDCJIXPXRPJT-UHFFFAOYSA-N 444.923 0.673 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc(OC)c1OC 767928007 SVPNXZCLMMPGRA-UHFFFAOYSA-N 442.450 0.057 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 768168523 UXJXHLLGNMJFGG-TZMCWYRMSA-N 438.388 0.244 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 768629645 KKTSJYCDFNUPCK-UHFFFAOYSA-N 439.471 0.387 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(C)CCO1 770438903 UHYSGZGQNRBOHH-RHSMWYFYSA-N 439.538 0.134 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770958974 UXSDFWBMYOGDKI-LLVKDONJSA-N 445.571 0.791 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770985083 XXFLETQDGIBPJO-UHFFFAOYSA-N 435.466 0.741 50 20 ICGD CCc1nnc(O)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1CC 771017747 UPFCFYZBCGXOKE-UHFFFAOYSA-N 449.537 0.395 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCCn1ncnn1 771571741 OTQLTSIZFQYQEG-ZROIWOOFSA-N 439.867 0.789 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)[C@H]1OC 776523233 KGADJXUXVINRTL-BRWVUGGUSA-N 442.538 0.854 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1OC 778237675 VCPDZKNFIOZOFW-LBPRGKRZSA-N 432.399 0.465 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCS(=O)(=O)C1 783426013 LEIZJYNYROCQSH-GOSISDBHSA-N 426.564 0.372 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(OC[C@@H]2CCCO2)c1 783429033 ZGEAEXKYFNMGLV-IFXJQAMLSA-N 425.507 0.689 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 784002027 JFXCZPBTWPSXLS-UHFFFAOYSA-N 436.428 0.470 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005013 WLMIIHFTLLKIAO-UHFFFAOYSA-N 433.490 0.204 50 20 ICGD CCOC(=O)c1cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2s1 794575970 CKAPQEWIKJAJMA-SNVBAGLBSA-N 446.528 0.822 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c1 806973240 GDCYWRGSLMMCQZ-UHFFFAOYSA-N 442.403 0.952 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)n1 807457233 WVDGQSBUBMGAPA-UHFFFAOYSA-N 438.466 0.925 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 810275680 VNGNUNUPQPCOMM-KRWDZBQOSA-N 432.458 0.074 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCCc3ccccc3)c2)CCN1 812979931 HPNQMAUZEFDVQL-UHFFFAOYSA-N 437.500 0.727 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 815564396 HTLNZVQAAGXRJI-GFCCVEGCSA-N 448.457 0.520 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)nn1C 815566594 YQPRQZRQESMBDS-MRVPVSSYSA-N 425.243 0.439 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 916238451 RBVRFFOEDSAZIC-UHFFFAOYSA-N 434.474 0.852 50 20 ICGD O=C(NC[C@H]1COCCO1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 918109290 ZKSJWOKKCRYTDI-SFHVURJKSA-N 437.460 0.748 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1C 919887231 YHAFIESINRGOAO-AWEZNQCLSA-N 449.489 0.489 50 20 ICGD COc1cc(C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc(OC)c1OC 1318652856 RCCDTJNJSOVUHI-UHFFFAOYSA-N 437.497 0.209 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1319240123 CUOLADVTDFQGDV-RDNZODCXSA-N 440.544 0.923 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNc1ccc(-n2ccnc2)nn1 1322812671 UJSRYBYQFWMVAT-UHFFFAOYSA-N 426.462 0.700 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777783982 CJRVFDYWJKXJFQ-AUUYWEPGSA-N 436.900 0.438 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1777985012 VUSAIGSRFLIESZ-QMTMVMCOSA-N 428.606 0.799 50 20 ICGD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1780725742 PAZZAKBNEKEXJQ-QHCPKHFHSA-N 437.305 0.190 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781214527 ZFLIECVCVVBNJI-YJBOKZPZSA-N 429.926 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@]1(C)CC1(F)F)C2 1782213961 ICUOBTTVELLRFI-NIKGAXFTSA-N 430.496 0.919 50 20 ICGD CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1783933781 YDXATYPCFZCCRN-UTKZUKDTSA-N 425.574 0.310 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ccn1 1784091324 NPCINEHRKCMXBU-OTRWWLKZSA-N 439.896 0.451 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1786551630 VWAXARCUEJCBAX-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430377 JWYUIEVKZAOQAC-KQIWDBKYSA-N 433.292 0.717 50 20 ICGD Cn1c(=O)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)c2ccccc21 1788139381 FESTWNCAWWXBSL-YFPWBOGZSA-N 438.887 0.854 50 20 ICGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]32)CC1 1788195277 TXQZYOWLBJQDJT-FPXQBCRKSA-N 435.396 0.450 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]nc3C)[C@H]2C1 1789314274 QGBVJUBAOJCORR-RAKJEAAFSA-N 441.492 0.445 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791056341 USFPKLMQLSWCKO-WDCWCFNPSA-N 430.259 0.695 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1792490304 MXQJBWFNWUHRAW-QBDYURIMSA-N 428.327 0.608 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1793862911 FCVJRAGMBSWDNE-CZAMWMTLSA-N 437.855 0.797 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCBr)(C1)C2 1795116521 OVEPRMSWOVZVPB-RJWOZWHCSA-N 429.311 0.704 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2)[C@H](F)Cl 1796371407 XHRNOMORVYNVDZ-QSMSVPEVSA-N 439.915 0.746 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1797697285 HDHLGSDNTXZWDJ-PEBLQZBPSA-N 433.347 0.457 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CO[Si](C)(C)C 1798627341 CIPFGAASZCZJQS-YYIAUSFCSA-N 428.558 0.971 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2)[C@@H](F)Br 1799348249 FMBBADLXULBUAY-QYOFDKIESA-N 433.230 0.697 50 20 ICGD CC(C)[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799865981 UMUSNXLXWKAVCK-JTJHWIPRSA-N 445.564 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1800978395 CUGBMMYRKVZLTH-UTINFBMNSA-N 425.795 0.281 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1CCc2nc[nH]c2C1 1801266570 YBMATOWGVACHNG-JRATXPSKSA-N 425.327 0.889 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)ccc1[N+](=O)[O-] 1801836821 MUKTVOZLWGCDKI-FAXLKDOZSA-N 427.841 0.406 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1804255515 WSGWDKXZODXVLF-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncs1 1805972137 HWZIXKWENGDDAY-QFBILLFUSA-N 436.302 0.851 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371203 QZCVRFJDFHRXJI-YLJYHZDGSA-N 425.294 0.242 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CC1(F)F 1809521006 BMJFUASNUWGQDS-RYQLBKOJSA-N 429.232 0.736 50 20 ICGD Nc1ncc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)s1 1809896524 OLFITSZDHQGZBS-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD COC(=O)C1(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809973407 KLDUTIWMNWLQJG-UHFFFAOYSA-N 428.294 0.164 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067891 HEUVXWPKORUQRM-XMSQKQJNSA-N 446.552 0.329 50 20 ICGD CO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813105799 UEYLCGSYUHIUTF-XUWXXGDYSA-N 426.477 0.435 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817475210 LDYVJHQBUYAUDN-MRXNPFEDSA-N 440.265 0.349 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1cncc(O)c1 1825719640 AIBIQTALONHEIN-CQSZACIVSA-N 438.274 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnc[nH]1)CC2 1826083538 OUCIZHIMOCQVRN-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CSC(=N)N)CC2 1826085339 NJMGHZHNIYURDX-SECBINFHSA-N 427.556 0.055 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534940 FKEXETLVKJHQOG-JTOWHCCKSA-N 435.359 0.881 50 20 ICGD O=C(c1ccc2cnccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728273 RIAVQBWEKXWJMM-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD COc1ccc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733320 IJUCZCKXDUESNV-XLIONFOSSA-N 426.897 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830984813 FZLRCFJWSWIMJI-GRDNDAEWSA-N 429.315 0.684 50 20 ICGD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC=CCC1 1835933833 GYJVRILXHPUHGH-GOTSBHOMSA-N 442.321 0.183 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836365839 PQHUHMWDQBYSIK-WAIKUNEKSA-N 427.354 0.598 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836715334 PZWUEBSSSCANAB-INIZCTEOSA-N 438.912 0.392 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1837921650 UJDSAHDNNMWOPP-UHFFFAOYSA-N 443.136 0.782 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369444 OALPNXVPLHTKNH-INIZCTEOSA-N 429.271 0.037 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1C 1838390120 RULIGFZGKJEIOT-QFIPXVFZSA-N 449.552 0.085 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccncc3O)CC2)CC1 1838447081 RLGFUOJUQVVDDH-UHFFFAOYSA-N 447.536 0.772 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198241 XMJSOHSMHABIRE-XJKSGUPXSA-N 433.230 0.400 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839200391 JSFWSDIOXHKXOK-BBRMVZONSA-N 434.262 0.998 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)c1 1839203221 DHEHFTBUCOYZKO-JKIFEVAISA-N 447.305 0.899 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839448719 QODJDKRTDLYVMD-PBHICJAKSA-N 447.257 0.858 50 20 ICGD C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)Oc1ccccc1 1839744777 DVTGVUDYCHQKOY-HGHGUNKESA-N 440.924 0.900 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840034417 KGVRLKVTCPWUAZ-OPQQBVKSSA-N 446.111 0.917 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186416 LWLADZQJNYUWIJ-HNNXBMFYSA-N 436.252 0.051 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840496193 DQTVFHZEOLEIKI-SFHVURJKSA-N 442.310 0.571 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841571640 VDOMPAQAOARERR-RTWAWAEBSA-N 434.301 0.996 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297586 VPKLVOIQIFBIGE-QGRTWZNFSA-N 446.454 0.726 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Br)C1 1846179629 OUZMVUBZSVQASY-SMDDNHRTSA-N 426.315 0.444 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)C2 1846383861 CTWQXWQELUWGSI-RXVVDRJESA-N 428.533 0.859 50 20 ICGD O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17457091 IMHPPFGKOFVNGM-UHFFFAOYSA-N 434.474 0.645 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNC(=O)c1ccc(Br)s1 725902840 VFTVWMDRAFTIOT-UHFFFAOYSA-N 445.320 0.879 50 20 ICGD N#Cc1ccc(N2CCC(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)nc1 727473886 SYSXHCQVTGHCKK-UHFFFAOYSA-N 432.448 0.542 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COc1cccnc1 728064883 JQFFRHWOLYWARL-UHFFFAOYSA-N 448.501 0.262 50 20 ICGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)c(=O)n(C)c1=O 730567606 LUHNXDQEYRDJPP-UHFFFAOYSA-N 443.272 0.351 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccc(C#N)cc1 735585182 BIOXTPXKJQLHCB-QGZVFWFLSA-N 437.504 0.873 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 740852896 OKYWNHJGFRSFEY-UHFFFAOYSA-N 434.522 0.895 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 741740687 FFRFJWJNTNCUJD-SWLSCSKDSA-N 431.424 0.931 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619930 AJDBKPAIWLLQHE-UHFFFAOYSA-N 433.552 0.756 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 746638112 YIVLMSZBYMCCTQ-UHFFFAOYSA-N 448.530 0.404 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)n1 748464265 AKVTZRZNQCGRTQ-UHFFFAOYSA-N 427.509 0.569 50 20 ICGD CC(C)CCn1nc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 749813123 WZNGOTCQVNYJHX-UHFFFAOYSA-N 439.476 0.186 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 755538143 ZVNBXQHHDMWSCO-CQSZACIVSA-N 432.462 0.655 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 756248963 RAAFBABFZSUXIT-AWEZNQCLSA-N 437.497 0.287 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C(F)(F)c2nccs2)CC1 757662984 WCPKEBSXLRJYHW-UHFFFAOYSA-N 432.478 0.709 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 758042846 BHJZQGDMBDWSLT-VIFPVBQESA-N 436.943 0.339 50 20 ICGD O=C(C#Cc1ccc2c(c1)OCO2)NNc1ccccc1S(=O)(=O)N1CCOCC1 762233909 KWDXVWRWBWHNCF-UHFFFAOYSA-N 429.454 0.931 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1C 763664574 CQJFQQAPRWAAPT-UHFFFAOYSA-N 447.455 0.980 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1NC(C)=O 763808670 OHYPHBZKEZJYJF-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)ccc1-n1cnnn1 763848509 CMJHHTRMCMDRBJ-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763849599 KQYBFRIABFXXBQ-NSHDSACASA-N 430.392 0.734 50 20 ICGD COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764155140 WHCKWSRPMBQEGV-OKXSDPAFSA-N 445.497 0.671 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764183108 AZJBYMRVHZZPAH-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425731 RSPSJMYWKXCOQG-SWLSCSKDSA-N 436.465 0.774 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764610128 XMUXWCKIHWQZBR-CYBMUJFWSA-N 426.458 0.642 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc(Cl)n2C)cc1 765030272 OBJOXFOMAGMMOJ-UHFFFAOYSA-N 435.915 0.012 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 768141024 UDEFCILPIURNSI-UHFFFAOYSA-N 429.458 0.903 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)c2ccnc(S(N)(=O)=O)c2)N(C)c2ccccc21 772425939 VHNSRXIRRMXUQQ-UHFFFAOYSA-N 427.442 0.776 50 20 ICGD COc1c(Br)cccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 774396676 JTRPECKGYUATPQ-UHFFFAOYSA-N 449.265 0.355 50 20 ICGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205010 HSNPEBYYSYEKSS-UHFFFAOYSA-N 435.547 0.294 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 776843931 BJGUGZXOFVQQLU-BBRMVZONSA-N 427.454 0.477 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 777410716 DGGOMUNUSKOJCC-SNVBAGLBSA-N 449.327 0.438 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccn2c(O)nnc12 780984861 ZVXDLSNBMDYBJZ-UHFFFAOYSA-N 443.895 0.667 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1S(=O)(=O)NC1CC1 782832701 RSMZMIAPGPEKNR-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc(C)n1 783326499 HFBIOJJXXNCRAG-UHFFFAOYSA-N 448.505 0.505 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Cl 789371792 OOUHEECXOYTZGJ-LLVKDONJSA-N 428.898 0.540 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Br)cnc1OCC1CC1 794823986 OIARHCGTSZEYQY-JTQLQIEISA-N 432.296 0.829 50 20 ICGD CN1C(=O)COc2cc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 799245210 DMRAFTNAJDHUSA-UHFFFAOYSA-N 447.473 0.759 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3nc(C)nn3c2)cc1 809895005 NDRCBISJLWGPJY-UHFFFAOYSA-N 431.478 0.820 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2c1=O 813236287 JJOPJIDOUHOMJV-GFCCVEGCSA-N 438.419 0.822 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCc2c(nnn2-c2ccccc2)C1 814295562 YGRNISLUAPVFFI-UHFFFAOYSA-N 425.474 0.858 50 20 ICGD CC(=NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814767182 WPBYKPBZGVOHRT-SOUVJXGZSA-N 438.550 0.531 50 20 ICGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 913416823 WBXHIBHZTGCLRK-FWFZHJKVSA-N 431.470 0.954 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 914870607 WRAKWHPLBOPDBF-GFCCVEGCSA-N 426.420 0.812 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C2=O 915076993 BKQRULGTNLBDFM-UHFFFAOYSA-N 436.490 0.352 50 20 ICGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915635853 ZFWXTAQHPNLFOY-INIZCTEOSA-N 441.506 0.054 50 20 ICGD O=C(NCCCS(=O)(=O)Cc1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 916576983 IBYIDSOOROZBAJ-UHFFFAOYSA-N 443.489 0.611 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 919836252 HRTUBUIQHJRZJR-UHFFFAOYSA-N 439.465 0.813 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c1 919955195 CABKRMKHIFAWJH-UHFFFAOYSA-N 447.466 0.838 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)c1ccc(-n2cnnn2)cc1 921303347 ZJXJCUQKMDHNFT-YCPHGPKFSA-N 430.494 0.149 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1 1116149773 YNZKOKJCUPSJQZ-AWEZNQCLSA-N 439.538 0.927 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1321299279 SCRYGYFWALIIDP-UHFFFAOYSA-N 431.474 0.330 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1781441037 QLPMMSNKEDQBBI-DNVCBOLYSA-N 425.869 0.908 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1781899627 ATHTXOXZWKRSPM-KYZVSKTDSA-N 447.374 0.267 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1783932779 FGDRBGZTFGZNBE-NRFANRHFSA-N 447.492 0.340 50 20 ICGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784375439 ZQWHSRVTIZFJCA-WFGGJUAMSA-N 436.322 0.963 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CBr)C[C@@H]32)no1 1785270540 LAPGGMHFKLMLHA-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786848630 XTYXEKRBYLFMMI-GMOBBJLQSA-N 425.324 0.673 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 1787508593 BDYSMKPGXUNLAZ-NXCXZXNTSA-N 428.449 0.402 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1cnnn1 1788149268 GUHGDEKWYRWERZ-AWEZNQCLSA-N 434.265 0.362 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1790964102 SOSPOMJHSFJOLM-YHQUGGNUSA-N 429.319 0.387 50 20 ICGD CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880859 IZRJQGTWTCXYKB-IVSAIRAKSA-N 446.976 0.660 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795391681 PNROMKCALRNTHX-XBHGAPDLSA-N 444.438 0.740 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCn1cccc1)C2)c1ccc(B(O)O)cc1 1795734127 DHDWYZCKZZHVBL-HATOLVCRSA-N 439.321 0.242 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]c2nccc1-2 1796186804 WWSRXTUHAUCTJS-HBCWATKFSA-N 428.493 0.091 50 20 ICGD CCC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1 1796386389 VUWIDOKJNZMEHW-NYUBLWNDSA-N 433.553 0.792 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nonc3c1)C2 1798440093 BJHUIIWFZRKISW-BTTYYORXSA-N 435.444 0.787 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799038457 GOIFCEQTXIAXCI-FQLMCAECSA-N 432.945 0.934 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nn[nH]c1C(F)(F)F)c1ccc(B(O)O)cc1 1799439138 HSQURTGWRMNAEV-CLLJXQQHSA-N 437.187 0.069 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800638048 NYQGFHYFDRQKTH-QBDYURIMSA-N 428.327 0.608 50 20 ICGD Cc1noc(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009562 NSQGAILTOKMNHT-VPTLXERWSA-N 435.525 0.187 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805719426 CDGNXOBOBYKGML-BEFAXECRSA-N 448.487 0.447 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1806342733 CJTABNJGKSQMMS-JKQORVJESA-N 425.327 0.595 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N1CCCC2(CCN(C(=O)C(Cl)Cl)CC2)C1 1806702620 MWUOVGTVVLJKKJ-UHFFFAOYSA-N 440.393 0.752 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807364053 RWHUFVQUAXZJQH-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475219 LIIYYSRRMDCHOX-IRXDYDNUSA-N 446.338 0.509 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csnn2)[nH]n1 1819401855 VOBFCZSLZUKRDS-CQSZACIVSA-N 441.477 0.879 50 20 ICGD Cc1nocc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795808 SAORJSAWCWQQTB-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1819989264 YQKYLEVSYDBZBS-AWEZNQCLSA-N 439.306 0.323 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)Br)CC2 1820201450 REVRRRRIEGEQNE-XRNSZHNASA-N 447.355 0.990 50 20 ICGD O=C(O)c1cnncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1820493537 OGOAVTKJHTVIOS-CPCISQLKSA-N 425.854 0.457 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1830537883 RPGGQPIYBGDHFR-CXAGYDPISA-N 429.315 0.521 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830733002 CTBGEDFUWLVPKQ-VQIMIIECSA-N 430.860 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)CC1 1831942089 ROEMAUPDDDMJJK-ROUUACIJSA-N 435.569 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccnc(F)c3)CC2)CC1 1833589340 DNYZQTVHRUTZTI-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD O=C(c1cncc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834360065 VAFFTKURJMIGTH-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800122 WVPXFWDULZVZAH-UHFFFAOYSA-N 443.353 0.167 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834822975 BOMQERPMDOQFFY-HGMDMCOWSA-N 442.310 0.940 50 20 ICGD CC1=C(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCO1 1834916984 SBWPXRQWKRZHIK-UHFFFAOYSA-N 441.337 0.246 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)o1 1836025063 FSDQCAYNIONMTE-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)s1 1836084719 PXCQGTRCAONZMS-ZBEGNZNMSA-N 447.355 0.629 50 20 ICGD Cn1cc(CCC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1836716936 YWHAULWGFJSQSA-GOSISDBHSA-N 426.945 0.951 50 20 ICGD O=C(COc1cccnn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720471 UZZPAECJXZBEQV-MRXNPFEDSA-N 426.901 0.454 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838480686 YRRZFSSHYDXXNO-QGZVFWFLSA-N 432.260 0.684 50 20 ICGD COc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1839332542 JNUQAYCAGCJINI-DNVCBOLYSA-N 448.850 0.643 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839962244 YQMHALMCTAQFBW-VQIMIIECSA-N 446.386 0.958 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839962428 DRDVMNHHQWKYCX-YJBOKZPZSA-N 441.326 0.649 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839966510 HKBNYFMPNBBXNU-GLJUWKHASA-N 446.342 0.143 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1840149787 ACWFBNJIYHESBQ-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840723047 LPIAFYRZZRIANW-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@@H]2COc3ccccc3O2)C1 1841548327 SWGDILQVJNGLMM-GOSISDBHSA-N 436.273 0.414 50 20 ICGD COCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924449 NCGDQSRHOBMACK-AWEZNQCLSA-N 433.933 0.985 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3ncccn3n2)C1 1844035455 BSHFHWJWGMRUBP-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1844261842 HWMBNIPAKOJSPS-UHFFFAOYSA-N 426.433 0.367 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1n[nH]c3cccc(F)c13)C2 1844265134 WWEHFJKVMNIXHV-UHFFFAOYSA-N 437.435 0.831 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1O 1845555749 ZQTMHNPRVYMGGU-UHFFFAOYSA-N 437.261 0.161 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9889976 GMNPINQJTOQGCW-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC 28717388 BBUHUFLYHCXQOI-UHFFFAOYSA-N 425.239 0.985 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)Nc1cccc(N2CCCC2)c1 725871718 QEFKTFSACMNMLG-AWEZNQCLSA-N 442.476 0.967 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc(OC)c1OC 727753347 ZKCUUXPVJUIXKO-INIZCTEOSA-N 436.446 0.204 50 20 ICGD COc1ccc(N2C[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c(OC)c1 728179057 NZEJPRHZBSQQOG-KGLIPLIRSA-N 425.507 0.549 50 20 ICGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1 728856241 KIIXAUMXWQAGMY-UHFFFAOYSA-N 427.504 0.447 50 20 ICGD O=C(NN=C1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 729816737 RMOXSMFWXLXTLA-SECBINFHSA-N 435.321 0.882 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 730782741 UNZYMABRXYLQQT-OAHLLOKOSA-N 449.485 0.690 50 20 ICGD CC[C@H](C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 732133523 CKVNUXPOMGUSCA-AWEZNQCLSA-N 432.458 0.583 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 732262585 UPDDRHXPTUAEDU-HKZYLEAXSA-N 449.483 0.239 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC[S@@](C)=O)cc1 735049271 MUWYXLKHUFEBSP-YTCNQMHGSA-N 429.502 0.836 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325677 GYGXRJILFYFKCA-UHFFFAOYSA-N 427.870 0.666 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc2c(c1)OCCO2 748212624 QDOTVVPKVYMZGP-UHFFFAOYSA-N 429.389 0.626 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)o1 753564376 UYXONLJMQWMZAB-UHFFFAOYSA-N 446.279 0.931 50 20 ICGD CCOCCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755955239 ASWQRYDPHDGGDJ-CQSZACIVSA-N 426.495 0.430 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H](C)O1 755961882 UGGYWTSKDGWIAJ-HZSPNIEDSA-N 427.527 0.386 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(C#N)c2)C1 756513447 DPJUMQNGESTORL-KRWDZBQOSA-N 429.477 0.053 50 20 ICGD N#Cc1cc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(F)c1 757643600 CGGYYRCRJZLEIR-UHFFFAOYSA-N 429.430 0.753 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763441724 IKUJKKDMMYJGTM-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c1C 763450831 ULNWJSSGSZCWSJ-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cccc21 763453853 CJKLPAWWZZREJA-UHFFFAOYSA-N 447.429 0.317 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2F)c2ccccc2O1 763568503 MIDPNRODQHXSRR-KRWDZBQOSA-N 428.420 0.907 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 763572097 PSLJLRYZIVRRMG-SFHVURJKSA-N 429.429 0.946 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 763662034 SGEQYQZFKFREAM-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 763838760 BWYRXDVKEAAGDF-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 764004294 CEQPGIJVOWDYSL-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764151991 BKKLCKUXUBPHAZ-SFHVURJKSA-N 448.435 0.782 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1S(=O)(=O)NC1CC1 764198798 OLPAIKVXEZZYPX-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1NC(=O)C(C)(C)C 764227943 SPJUUPBZINSBHE-LLVKDONJSA-N 441.510 0.003 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 764317520 JQSSUJCKRGLLQZ-UHFFFAOYSA-N 439.494 0.060 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Br)c[nH]1 764607643 KJJUAFSOKMPERQ-VIFPVBQESA-N 440.279 0.777 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 765413561 KKTAHPIOTYXTDF-UHFFFAOYSA-N 425.467 0.653 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 765734857 DRTCCGZKHGGWBQ-LJQANCHMSA-N 449.511 0.645 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CCc2n[nH]cc2C1 767115540 IPJBVUQSHVGJCL-OAHLLOKOSA-N 432.506 0.696 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)cc1Br 769744894 ZMWPALIMLZGHON-UHFFFAOYSA-N 429.252 0.575 50 20 ICGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNc1ncccn1 773716510 KNJFRAKWURSZHA-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 775403903 LSONNAGAMKYXRN-INIZCTEOSA-N 434.426 0.234 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 776076180 LASBZQBVCCEOPU-KXBFYZLASA-N 425.507 0.749 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ccccn3)CC2)cc1 777474610 MOYFSSUCKGCTIP-UHFFFAOYSA-N 447.517 0.847 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)ccc21 778706938 DCCMPUAGEMTJRZ-UHFFFAOYSA-N 444.419 0.526 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1OC 778899181 JWAFCONMHBFEBL-UHFFFAOYSA-N 447.356 0.959 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc(OC)c1OC 779578575 KVMAFCNSGCTCBF-JKSUJKDBSA-N 430.417 0.444 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ncncc3Cl)cc2)CC1 782159375 QJUPUAGOTRWLPC-UHFFFAOYSA-N 445.911 0.918 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704189 KSBGFJJUNZXPLQ-UHFFFAOYSA-N 437.497 0.888 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1 785226982 MGGVRUWAWQUXEX-UHFFFAOYSA-N 429.481 0.872 50 20 ICGD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2O1 785991101 PBDYQJZYOYHKSJ-HXUWFJFHSA-N 437.416 0.959 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1N1CCNC1=O 787542651 CVAWPTZWAAJFBH-UHFFFAOYSA-N 439.428 0.696 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)NCc3ccccc3)CC2=O)c1 787595109 TYJOONNXGGKPMQ-CQSZACIVSA-N 431.474 0.218 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 790071970 CNEUSZUIERTYSV-UHFFFAOYSA-N 439.515 0.917 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368453 BABNJFLXRKFXEB-UHFFFAOYSA-N 427.417 0.059 50 20 ICGD O=C(CN1CCC(CNC(=O)C(F)(F)F)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 799173391 AWCZCAFEGNWVAY-UHFFFAOYSA-N 431.371 0.746 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 802031679 LNDNLKQUSKYZOA-INIZCTEOSA-N 448.461 0.808 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)ccc1F 806980042 JAQZQUGTXLGWFQ-UHFFFAOYSA-N 446.819 0.926 50 20 ICGD Cn1cc(Br)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 814598463 LJQUNHXSZDGWEM-LBPRGKRZSA-N 439.222 0.327 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)N=S2(=O)CCCC2)c2ccccc2c1=O 821126956 BGBUIYNUPIEZAT-UHFFFAOYSA-N 427.508 0.718 50 20 ICGD C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 913435581 CPDLBTFNRRSKHV-UHFFFAOYSA-N 445.998 0.961 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916144754 XWWJGGVFSGMYAP-UHFFFAOYSA-N 440.811 0.375 50 20 ICGD CCNC(=O)COc1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1OC 916388802 IZHHLCDSZLLEEY-UHFFFAOYSA-N 432.481 0.554 50 20 ICGD Cc1ncnc(O)c1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1322669138 GGYAWNLOIZJOJZ-UHFFFAOYSA-N 426.477 0.029 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780799038 RSSPWAZJOLLYIK-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1782170685 SSZCMTBZYFJOBE-SQGPQFPESA-N 431.961 0.476 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782567912 KPWZUGLZXDYXEJ-WVSUBDOOSA-N 425.913 0.963 50 20 ICGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1783527419 SRNCDKHYGORPDM-NAKRPEOUSA-N 432.344 0.957 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878914 KHVMYJDARCZGRI-QDGJQWLKSA-N 447.919 0.980 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784284018 OBBYBFIQLBALQY-UZUQRXQVSA-N 437.305 0.084 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786981955 HXEROQMCUWVELQ-OMBLBEMTSA-N 428.338 0.786 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787076896 CZPLDGUXPVZQGW-XQLPTFJDSA-N 428.942 0.802 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387737 MMOIXCUZSWULNE-MHEUCROKSA-N 437.884 0.282 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788530534 DKMJYFGLIFXCDW-KBIXCLLPSA-N 449.195 0.762 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788670344 OIQWLHFNVPCRFH-AYDFFVQHSA-N 426.901 0.710 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21)N1CCN(C)CC1 1789797494 IOCQPRLIQUGEPD-ZPFYTHJMSA-N 449.423 0.838 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1789867105 XUCKZJTVHCZEMI-FJIDUMEYSA-N 426.989 0.764 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21)[C@@H](F)Br 1789922407 FFVXWNFPMRBWTM-DMLMCSCLSA-N 433.234 0.172 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1790963261 PPMLTICKALDGKH-NHULGOKLSA-N 430.299 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21 1791293746 GWXKTDUTXJPICX-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C(CCc1ccoc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791728490 CWENUFOSAPSOCQ-IHPCNDPISA-N 426.278 0.186 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795616024 USCOEHSMOUTUGC-HDNYOTOHSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CC[C@H]2CCC(=O)N2C1 1796188607 ZCMXYAVKZYFYLU-LFZDHENXSA-N 439.321 0.019 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2)[C@@H]1SC(=N)NC1=O 1796421819 GFTUBBVQVTWZMV-LBELIVKGSA-N 430.958 0.643 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797759948 QSHOZPYNOUFIAA-GFQSEFKGSA-N 435.388 0.234 50 20 ICGD C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1798625383 BDFLCUJUZQCYTD-MUJYYYPQSA-N 431.631 0.207 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361649 GXENACSXYJANSO-DENIHFKCSA-N 447.304 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1810539271 ADIZTZSYCCJHDJ-FRQCXROJSA-N 435.601 0.532 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195902 KGAWDLLINLXOSJ-PZJWPPBQSA-N 446.272 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1c1cccnc1 1813068577 OFWDOWLRMOGUAH-CNNODRBYSA-N 444.580 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1)C(Cl)Cl 1813077794 LSMQFCPSTDXZSA-GRDNDAEWSA-N 431.320 0.542 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cc1O 1817473059 BFYIBSZFKNZJCW-MRXNPFEDSA-N 438.253 0.148 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CO[Si](C)(C)C)CC2 1819468156 QBKPXWVJGVQHGY-MEBBXXQBSA-N 444.586 0.971 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819890699 KTEXDSZSQRULDK-WMFXKJRFSA-N 447.355 0.489 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822371218 ZNADTBXHVHNTPG-CABZTGNLSA-N 449.859 0.095 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831650856 LLFBKUBFHZVSMB-JXFKEZNVSA-N 438.912 0.884 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835184784 PKZIOIHEFYAAKS-KSSFIOAISA-N 433.343 0.900 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1837921176 JAYZXQGOHGGMHR-UHFFFAOYSA-N 425.294 0.621 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1837921200 KZRILNYTCFEXHR-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccnc1 1839199141 QLUONVMQJMZVQC-IOASZLSFSA-N 433.278 0.591 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199725 ZYHGGDJYZFGDQK-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839964315 NMPRJLNGTNQNGR-GUYCJALGSA-N 445.314 0.550 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1839988978 FTZTZIOROXOJRX-JQVVWYNYSA-N 436.936 0.848 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840150597 NWTOQBPGTNMRHH-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1C(F)F 1844264592 LTEFFZIVSRBSQX-UHFFFAOYSA-N 433.419 0.716 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)[nH]n1 1844476200 OOPQCABSRZVJQR-UHFFFAOYSA-N 425.493 0.837 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 10159750 AFTRNXVFJDPLHO-UHFFFAOYSA-N 445.457 0.835 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nc(C)cc(C)n3)c2)CC1 21127040 FBRVAGCIDIUGED-UHFFFAOYSA-N 432.506 0.703 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)cc1 26772751 ZOMFNYNZBGNEFB-UHFFFAOYSA-N 426.539 0.705 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 727495831 XWWBGOJGGAKGMP-UHFFFAOYSA-N 445.505 0.239 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)c1 728205772 DSMIISPKPRAGPO-UHFFFAOYSA-N 449.427 0.970 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN(C)S(=O)(=O)c2ccccc2)n1 728723094 ZKSVSAFZNUYTDX-UHFFFAOYSA-N 440.503 0.005 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 730897990 UFKKRHFMIVYQTQ-UHFFFAOYSA-N 443.460 0.895 50 20 ICGD O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732325152 XSWIVBBUASIUMW-MNOVXSKESA-N 432.311 0.356 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccnc(N(C)C)n1 740104471 MKWUSIQMWZEMKR-UHFFFAOYSA-N 436.494 0.329 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2F)c1 743249517 FZYUBZQQQDAQKC-UHFFFAOYSA-N 445.450 0.398 50 20 ICGD C[S@](=O)CCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 745845886 DFYKUWXKNOKBED-PMERELPUSA-N 427.486 0.767 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 746003148 BADWKVBTBSVCNK-UHFFFAOYSA-N 439.538 0.614 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccco2)s1 746186263 RMFLQWKOLGGMGQ-UHFFFAOYSA-N 428.492 0.036 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 746702724 SJGXCTZULQVXOP-UHFFFAOYSA-N 428.492 0.444 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cc(Br)c[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 747736333 ONDKSJXMKQFQPT-UHFFFAOYSA-N 435.238 0.106 50 20 ICGD C[C@@H](NC(=S)NNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 751617222 LWWDQBWRDBANPM-SECBINFHSA-N 430.512 0.338 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CCCCS2(=O)=O)c2ccccc2c1=O 753274782 RVKSMCPUSGDOSV-CYBMUJFWSA-N 435.506 0.889 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc3c(c1)OCO3)OCO2 753838852 CECNFVWRNOMIBV-UHFFFAOYSA-N 429.341 0.330 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756145884 NYINZEOBNLVQGE-UHFFFAOYSA-N 449.411 0.581 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 756836640 CHXOPIZKOWMCMZ-HUUCEWRRSA-N 444.492 0.923 50 20 ICGD NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 758139034 OQLJXDJKUYWAAH-GOSISDBHSA-N 432.502 0.039 50 20 ICGD O=C(NCCNC(=O)c1cccc(Br)c1)NNC(=O)C(=O)Nc1ccccn1 758740487 VZTRSYIOJOUDLW-UHFFFAOYSA-N 449.265 0.543 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1c[nH]c2ccccc12 762964772 QXJGKFKEHWMQMB-NSHDSACASA-N 429.458 0.395 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 763463882 HDWXNDAHPPRVJD-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccnc2)c2ccccc2O1 763492561 ZOYUXOBFQUXBQC-SFHVURJKSA-N 439.472 0.942 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cnc(C2CC2)nc1 763531355 MYRKRKKVVYFTGE-UHFFFAOYSA-N 437.504 0.652 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F 763547570 FAMLPYODKOJDPH-UHFFFAOYSA-N 441.368 0.497 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 764001524 ADFPYBHAGBOONZ-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1F 765117514 HIFWNALNEZPHIM-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 765417297 FVSGCJXATFMCIP-UHFFFAOYSA-N 430.483 0.830 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 766649335 NYMMATNSZTZLHM-FQEVSTJZSA-N 429.565 0.765 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2(O)CCOCC2)c1 771843882 CUOLXGJMSACOLU-UHFFFAOYSA-N 449.485 0.799 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(F)CCCC3)CC2)cc1 773389185 FMSZKJLOFHOTCM-UHFFFAOYSA-N 426.514 0.731 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 774003632 ZCCAQQOJRWDCQT-LLVKDONJSA-N 429.824 0.869 50 20 ICGD O=C(NNC(=O)c1ccn(C(F)F)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 775637246 MGJGVERRTXHQCI-UHFFFAOYSA-N 429.405 0.374 50 20 ICGD COc1cccc(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 780014595 UHUZUWKTXPYMIH-UHFFFAOYSA-N 434.522 0.853 50 20 ICGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 782477702 VAZDVWBWRSSMAA-UHFFFAOYSA-N 441.247 0.932 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccnc(Br)c2)c2ccccc2O1 784828996 USVJHZDGSDABMI-ZDUSSCGKSA-N 434.250 0.827 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1Br 786953875 NVJKBNQCYUTARS-UHFFFAOYSA-N 448.277 0.864 50 20 ICGD C[C@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 794072211 RIOHRSOHETUDIR-CYBMUJFWSA-N 431.449 0.313 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)s2)CC1 794796799 ZXHZKKLZKVQXKP-UHFFFAOYSA-N 425.330 0.448 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 795082082 VVCLTMJUNCKFOK-UGSOOPFHSA-N 426.495 0.120 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c(C)c1 797008298 UWGUXTLBMCELCM-UHFFFAOYSA-N 434.836 0.879 50 20 ICGD Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 797070632 KIKGZOUQZHMJND-UHFFFAOYSA-N 428.380 0.335 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802470075 WAFNIXIFEDLINY-ZDUSSCGKSA-N 443.416 0.924 50 20 ICGD COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 804868051 TVTJNRIAKARWHG-OAHLLOKOSA-N 427.343 0.444 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1C 810385499 VNKVFMQDTJKMGQ-UHFFFAOYSA-N 428.376 0.957 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)n[nH]1 810583816 FNXDHXFEMBLUKL-UHFFFAOYSA-N 447.448 0.964 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1 918402255 MFBCJVYDWBFFSQ-INIZCTEOSA-N 448.501 0.986 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 919839569 NBGFXTIPVXMLDM-VHSXEESVSA-N 434.301 0.928 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1nc(CN2CCOCC2)cs1 920931970 LFTOITRDSNORNZ-UHFFFAOYSA-N 429.466 0.418 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2cnccn2)c1 1115887916 IXNTVCIVJHZREV-UHFFFAOYSA-N 435.281 0.266 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCOC2(CCOCC2)C1 1118166677 SRXIJBIEPMZXMP-AWEZNQCLSA-N 439.538 0.960 50 20 ICGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 1318545731 RIHSPOPYTQBSMR-UHFFFAOYSA-N 429.520 0.057 50 20 ICGD Cc1ccc(C(=O)NNc2nncc(N)c2Cl)cc1S(=O)(=O)N1CCOCC1 1333511030 ZNTYGPJRNJXSRE-UHFFFAOYSA-N 426.886 0.798 50 20 ICGD CC(C)(C)c1ccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nn1 1339253689 SGNMMKFZCRELMH-UHFFFAOYSA-N 432.506 0.652 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1341796845 UFDMKGNOOCKNNS-VEVIJQCQSA-N 429.470 0.660 50 20 ICGD O=C(c1cnc2ncccn12)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777931393 IKEVIYBXKWZHLU-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ccc(-n2cccn2)nc1 1779811549 NAMNCBSCJPYTHY-CBGDNZLLSA-N 447.923 0.995 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331885 RMUIWXMUOQMSIX-BBRMVZONSA-N 426.246 0.863 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1781474331 MHHVORYCGBZFTO-HBUWYVDXSA-N 434.990 0.238 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783324152 YSVLRXBGPOPOLS-JTSKRJEESA-N 432.521 0.657 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783347312 GWHZZPDQASNVCB-PXAZEXFGSA-N 437.298 0.741 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1783883802 YUATWHKMXGTUQT-FOIQADDNSA-N 436.896 0.976 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784454846 MBHDYMUEVPWCSE-CXAGYDPISA-N 427.299 0.716 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788511923 ONOIJOYWIGANPM-QKMYFLCJSA-N 432.334 0.997 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)=Cc2ccccc2N1 1789156026 JKKLWQWXIJOWIA-WQCNXYOZSA-N 447.919 0.992 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F 1790027403 VAPGHBMXBFCYAH-NZBMOFRJSA-N 429.832 0.927 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790963950 IOKIVOQUAZUCMN-FQUUOJAGSA-N 449.415 0.624 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccccn1 1791293243 PZRRFENFHWBZGN-DFEOGRTESA-N 431.537 0.538 50 20 ICGD COc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792795765 WDHCNCPVWGYZDU-REPLKXPHSA-N 438.289 0.706 50 20 ICGD O=C(Cc1ccc(Br)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794155811 YGMDYQBEZMZINC-YHYOWMERSA-N 446.729 0.576 50 20 ICGD CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794944203 JCGSUCLTBKTVCE-POKDIBPUSA-N 442.476 0.574 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2sccn2c1 1796115446 HNVGUMSLESAGFM-CCWDJLKJSA-N 433.534 0.577 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(CO)c(F)c1 1796190470 AMYQMGFHYHDMTA-REPLKXPHSA-N 426.253 0.563 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCCS1)C2 1796439536 JEZQMFVDLCHCPL-MGRLTOJPSA-N 431.518 0.731 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1796585272 SHTOLBYHHADPOQ-HGTKMLMNSA-N 443.342 0.764 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)no1 1796870659 JAUYAIDOEWIXQC-QDMKHBRRSA-N 434.497 0.323 50 20 ICGD CN1CCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)cc2C1 1801187566 ZQSWLXAUZMFAFG-BJWYYQGGSA-N 445.568 0.343 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnc[nH]2)[C@@H]1c1cccnc1 1805579154 RPFCZPAPTMYZKA-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncnc1 1805787262 NTGKUWNJVBZSNG-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369351 HLCQZNRXUKFNPI-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371048 OUVZMKZGECVHJU-DZLUEKEQSA-N 438.337 0.454 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374675 JBAZTJYSTPYGGJ-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813040692 SLUYLWGLEGSXRK-DXCKQFNASA-N 428.518 0.718 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1813070365 IDDDOUSYVMPXJA-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD COCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815335638 IPLMRHNUSMUAES-CQSZACIVSA-N 429.307 0.475 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818132748 FUBMBBJMIMZQPO-QGZVFWFLSA-N 441.297 0.168 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NC=O)n[nH]1 1820874275 AUMDEXQDWZTEAA-DBPLZXHISA-N 442.480 0.670 50 20 ICGD O=C(Cc1ccc2ncnn2c1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1822492326 YMDSBSACEHYRGT-AAEUAGOBSA-N 434.909 0.940 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)o1 1827113662 MUDSHEFFJNWRCC-IBGZPJMESA-N 440.309 0.534 50 20 ICGD Cn1ccc2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c21 1830728258 REYKVIIMHRXMJD-UTKZUKDTSA-N 435.908 0.848 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730666 BVFKKEKEEUVDEW-YLJYHZDGSA-N 439.871 0.977 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)c1 1830732038 PLZDQUKERLXPPT-LPHOPBHVSA-N 428.869 0.071 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831654080 IBUWGLRQMNOYMS-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD O=C(CCCc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833054522 WBDVOWUNQGZADF-YLJYHZDGSA-N 425.913 0.460 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798180 ZIGOFWQYVJLHSK-YADHBBJMSA-N 439.365 0.598 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)o1 1836025060 FSDQCAYNIONMTE-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1Cl 1836232237 LHTJNZFLECOQBG-KPZWWZAWSA-N 449.335 0.949 50 20 ICGD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836915691 IQHKJLYGUXLDDX-HNNXBMFYSA-N 447.536 0.580 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837240802 BBKZPQOXSJIOLQ-CLYVBNDRSA-N 434.631 0.453 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839553262 PJZHTMNUQKTNBV-YWZLYKJASA-N 436.896 0.658 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030647 RHLSBSJBOSHZDZ-SGTLLEGYSA-N 443.342 0.890 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031438 QBIUSIMIDUXFDM-MAUKXSAKSA-N 443.342 0.740 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840031930 GYCZCFOQYMSVAL-KDOFPFPSSA-N 442.310 0.088 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)ccn1 1840033509 HVKOCBFWDOZXCC-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035231 KTLIWVGJZZJIOV-GGAOBQQXSA-N 432.315 0.266 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840149346 MDWKGKYHXXCRQN-WIYYLYMNSA-N 435.908 0.811 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1F 1840150054 FUQHODQPRRRJJF-SGTLLEGYSA-N 432.880 0.435 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844265576 QHPMTPYDDKOGKB-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 18368722 LURQOZLENPDVBS-UHFFFAOYSA-N 427.460 0.548 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cccc4cccnc34)cnc21 728506300 JCIBQHAEUOBKEQ-UHFFFAOYSA-N 426.414 0.206 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)c2c(C)nc3ccccn23)C1 728944349 AITZDXIJGCIOIB-OAHLLOKOSA-N 444.492 0.731 50 20 ICGD COC1CCN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 730829015 CVMNJTNBVWNZGV-UHFFFAOYSA-N 426.539 0.924 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 731177496 GOEJNSDJGNKJNZ-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 732950408 UGBYZUJMDYOTSC-UHFFFAOYSA-N 443.547 0.447 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)N1CCOCC1 733249681 PPEMDQLQKSAEIF-UHFFFAOYSA-N 446.551 0.405 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(Cn3cccn3)o2)CC1 735116699 CFOVAEMJRPSKPZ-UHFFFAOYSA-N 445.505 0.612 50 20 ICGD Cc1cc(C)nc(-n2cc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c(C(C)C)n2)n1 742576877 IMDCQOJGFHNGTK-CYBMUJFWSA-N 435.510 0.534 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 745783597 WQXDLNJNECZWFL-UHFFFAOYSA-N 429.437 0.591 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1cnn(C)c1 745919941 XOKQJAARNHDOKT-NHYWBVRUSA-N 449.493 0.353 50 20 ICGD Cn1c(CC(=O)NNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc2ccccc21 746339473 MTOGLXCNXOESGU-GFCCVEGCSA-N 426.399 1.000 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cnc2c1c(=O)n(C)c(=O)n2C 747728221 WBXWGOZLGPIHIC-LLVKDONJSA-N 429.408 0.308 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)c1 748558048 PZNBIWLSKAUVAW-UHFFFAOYSA-N 438.473 0.922 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cn(-c2ccccc2Br)nn1 751202860 XRSSAJWAZUDIBP-UHFFFAOYSA-N 433.222 0.814 50 20 ICGD Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 751294671 HRSDJLOFZGVJEY-UHFFFAOYSA-N 445.443 0.922 50 20 ICGD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1F 754951416 YPUACQNZGZRIHS-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 755692791 UGFYTDXAPRWRIV-LBPRGKRZSA-N 431.478 0.247 50 20 ICGD CCN(CC)C(=O)CCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 755775771 IFNKYTLDRBMVPE-UHFFFAOYSA-N 425.555 0.714 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756080806 NMMZVTOCZZWVTN-ZDUSSCGKSA-N 431.474 0.467 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 757995157 SDVWJSTZBNCBHL-SECBINFHSA-N 428.450 0.151 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 760439512 HLRYUKMAZBVZQM-UHFFFAOYSA-N 426.495 0.803 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1CN1CCOCC1 763552406 ZTQCGABFQPOZON-UHFFFAOYSA-N 426.429 0.647 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 763666344 YGHLCKPBSOEYGI-UHFFFAOYSA-N 447.455 0.980 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 763734280 JDXRAPULQSDJAY-UHFFFAOYSA-N 436.494 0.179 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 763996773 ZYXAWSQCJLCERG-UHFFFAOYSA-N 439.222 0.972 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 764204345 MCIARWMOOXLBSK-UHFFFAOYSA-N 449.443 0.797 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 764226238 GYZBGLPOFIWALU-LURJTMIESA-N 430.792 0.382 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1N(C)C 764265675 FNSGXOREAWFYDY-UHFFFAOYSA-N 425.493 0.854 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764275786 UZPJKQCQHZJVPU-UHFFFAOYSA-N 440.412 0.206 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 764285850 NRGSEOBJPMKRIQ-UHFFFAOYSA-N 443.201 0.352 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cn1 764360274 ZWXYNMQDRHKDDR-UHFFFAOYSA-N 446.464 0.723 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 764392594 HMHPVJKRUDOYQZ-UHFFFAOYSA-N 433.446 0.076 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 764399139 ZZUSVULLEWLZMS-SECBINFHSA-N 427.364 0.812 50 20 ICGD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764425702 QYDAXXQVOJGMPQ-QGZVFWFLSA-N 426.429 0.749 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 765639132 SUWFKXCFSQGTSR-UHFFFAOYSA-N 448.520 0.821 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ncnc3ccsc23)s1 766675919 YNWIPMWRRUPKMA-UHFFFAOYSA-N 440.532 0.811 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767630088 YLJGNFKBVBAMOZ-CQSZACIVSA-N 444.469 0.538 50 20 ICGD Cn1nc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1OC(F)F 768206908 KRTWGHURZVZOGW-UHFFFAOYSA-N 431.421 0.799 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n(C)c2n(C)c1=O 768279750 QYCLZPOLNKQDDP-UHFFFAOYSA-N 439.407 0.180 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNc3nc(O)c4cnn(C)c4n3)cn2)C[C@H](C)O1 770341446 NTKPPDPRLXJAKA-RYUDHWBXSA-N 427.469 0.904 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 771151007 WTZJCIZWZQGEHX-HNNXBMFYSA-N 445.450 0.347 50 20 ICGD O=C(CSc1nnnn1C1CCCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772888103 FRKVTNNUYFCMEZ-UHFFFAOYSA-N 437.913 0.998 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)nc2nc(O)nc(O)c12 772897169 FXVJEKGZZHEFSF-UHFFFAOYSA-N 430.808 0.475 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 773411660 PNXMGHLJCNHNSL-QWHCGFSZSA-N 435.568 0.701 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc1C 778427430 XQEWKIDDNKTZAK-UHFFFAOYSA-N 439.450 0.333 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 782895896 AMXVFJWEIOGJIH-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783376198 JCQXUWNIEKSWIW-UHFFFAOYSA-N 446.533 0.826 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 785598699 QYXWXVFGZBUOHB-GOSISDBHSA-N 435.502 0.763 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787543616 KEKRNQIFPDZUDL-CYBMUJFWSA-N 432.456 0.842 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 789909995 XLKHSNFJSFVFLX-LLVKDONJSA-N 442.881 0.275 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 790069349 ALSFPZBIIWEAHM-HXUWFJFHSA-N 440.460 0.453 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(-n2cccn2)c1 792355092 PBTUBWRDTCSBJL-UHFFFAOYSA-N 434.412 0.917 50 20 ICGD Cn1nncc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 810386490 CHZCGXOVAXSTNG-GOSISDBHSA-N 433.472 0.528 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)SCC(=O)N2)NNC(=O)[C@H]1COc2ccccc2O1 811296681 IIQLRFFMGFVXHQ-OAHLLOKOSA-N 443.437 0.875 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc4ccccc4n3)c2)CCN1 812980457 VUHQFLMLUJJXLG-UHFFFAOYSA-N 446.467 0.566 50 20 ICGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)c1ccc(-n2cnnn2)cc1 818029458 YQGVLRHFPBWAGT-UHFFFAOYSA-N 427.808 0.502 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC[C@H](B(O)O)C2)cc1 864234600 XKEICDWBWMEUMH-BBRMVZONSA-N 430.357 0.561 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)c2ccccc2c1=O 916622279 FJYQMZOZDLTVPN-UHFFFAOYSA-N 438.510 0.078 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 918096588 WDLUWNQXERQNDZ-UHFFFAOYSA-N 431.405 0.629 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1CCS(=O)(=O)C1 919886616 XVNUZDMYUJMFPA-CYBMUJFWSA-N 449.455 0.834 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCC[C@@H]2N(C)C)cc1 1116039339 BPVLVCLXPLCPTL-IRXDYDNUSA-N 425.555 0.819 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1320073081 YFBCUOKEAUBYKK-RDTXWAMCSA-N 425.511 0.825 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115958 RMTKILRBESCDNH-MAUKXSAKSA-N 435.974 0.505 50 20 ICGD Cc1onc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1C 1779029699 XEISQPLCPYGFIV-HXUWFJFHSA-N 428.449 0.047 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780045209 LBOCATVRVZYHKM-AUUYWEPGSA-N 435.868 0.483 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1780713515 WBWQNENKVWDFNP-QIZIZJAASA-N 437.368 0.329 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781776622 DORNKUSFLCWILI-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)Cl)C1 1782345801 KZAPIZVRGNWSPG-RHSMWYFYSA-N 430.644 0.326 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782651383 JAXGSOBQNLYWOV-GAJHUEQPSA-N 437.305 0.084 50 20 ICGD O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783023301 WEHHMSJTDYAPBX-JXFKEZNVSA-N 449.301 0.911 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783160292 SJLYZPVLHNXQDK-NMQRCDEWSA-N 432.427 0.967 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783348060 UCOCRGXWLRRFRS-GJYPPUQNSA-N 439.354 0.955 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783408792 XPASJRZVOGUWJO-SQJMNOBHSA-N 448.328 0.615 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)C1 1783875520 NLAODHJMCBLFHR-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1783934135 ZUXFGSBJHHTJJM-NRFANRHFSA-N 433.509 0.370 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1 1783937446 RQPIHFOHZQNOKI-QFIPXVFZSA-N 434.512 0.961 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1785734213 XYJAMRGSKREGFR-VBKZILBWSA-N 447.960 0.967 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(F)c3)[C@H]2C1 1786526038 CRMIRAMSZBMTMX-WDSOQIARSA-N 434.512 0.721 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786749165 YUTDMOPFNKFHJY-NXOAAHMSSA-N 446.386 0.862 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788960748 IFHSGDDSUMFHLZ-DJIHRAIXSA-N 438.834 0.632 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21 1791293888 LQZBSJDUINUKNZ-OWQGQXMQSA-N 434.493 0.064 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C 1793075795 QQWYLRBFAJDODF-GTYSZEQSSA-N 449.460 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793779891 QJKLQKZOAPQAMK-VVRDOHNDSA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccoc2c1 1796234723 DAHXCZLBEGSFIC-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798372562 YXONEJJSRQDBNQ-OXIQGZBJSA-N 427.299 0.862 50 20 ICGD CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NC(=O)OC(C)(C)C 1799365356 XXRCWEIUQMNEJP-JRBZFYFNSA-N 447.960 0.869 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnc1 1803308417 OINBAGGQAGZCOE-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803436004 CHQJSJLUXSPKLY-LDBYXDLTSA-N 446.552 0.375 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1803517741 JVFYCWLKJVZIEC-YQQAZPJKSA-N 431.942 0.776 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n(C)n1 1807363455 PDPYUDHBJACOBS-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3ccnc(Cl)n3)CC2)C1 1809970817 BIEFISMMTIPOLS-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302560 LEEMHZGQESHTOL-NGIKDWRJSA-N 438.488 0.950 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813070413 INVTUEVSJLZDBM-GCJKJVERSA-N 441.536 0.666 50 20 ICGD O=C(CCc1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336766 DQVVVJOHDAUXLO-CQSZACIVSA-N 439.306 0.405 50 20 ICGD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n(C)n1 1816137843 DLHUTSSAXXQEBJ-CQSZACIVSA-N 446.512 0.831 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410710 QLEHPPWCTPIOIC-UKRRQHHQSA-N 435.529 0.690 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(O)nc1O)CC2 1825998224 GYAKFDYOWPDEGQ-IONNQARKSA-N 427.870 0.824 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829557897 UMILACJZIDQBFE-DYVFJYSZSA-N 434.276 0.110 50 20 ICGD CSc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1O 1830730615 BCVSNSBKWOYYBK-AUUYWEPGSA-N 444.937 0.784 50 20 ICGD O=C(Cc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830966584 BVIRPQCMCVWMCP-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831818389 HBRKFYLYCXEMQY-DNVCBOLYSA-N 428.917 0.361 50 20 ICGD O=C(c1ccnc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831905021 OPBDFCYELNBYMS-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1832285998 PIFBSUMMXGNUBN-KSSFIOAISA-N 448.358 0.342 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621117 HXSQNGHKLJQZCB-OAHLLOKOSA-N 445.402 0.674 50 20 ICGD O=C(CCC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834670565 ITMHYPBRXQRINX-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836674034 ZUZRSLLEXOYOMO-KEYYUXOJSA-N 446.386 0.739 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837711827 RXCPBFBRHINSSW-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838428229 MVMZRGXLAOPRSV-WMLDXEAASA-N 429.945 0.930 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C(F)F 1838704112 ZARFXZGTSIPIRY-CXAGYDPISA-N 436.843 0.256 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732824 BHGCPFVFVBDMRT-SCLBCKFNSA-N 439.310 0.987 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199569 YBCCYDCJYVJUER-FFSVYQOJSA-N 438.294 0.048 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840034598 QWQHCMMSPMEICI-UGSOOPFHSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840149510 RJDAOELSULZVHE-RDTXWAMCSA-N 448.303 0.764 50 20 ICGD O=C(C[C@@H]1OCCc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847756294 JJIKKNGYWMQUKA-FKBYEOEOSA-N 434.301 0.886 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847806742 PQWBWSIHARVJJQ-IHPCNDPISA-N 441.532 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1848043850 CARODCWXPSMRBF-SZMVWBNQSA-N 433.553 0.352 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1848099869 RXLXKOBMDCPLNO-YTFOTSKYSA-N 430.933 0.043 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1OC 14800419 AXNRURVKQICQCZ-UHFFFAOYSA-N 438.440 0.537 50 20 ICGD Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)c(C)c1 17805930 BDMUNASABDKAQE-UHFFFAOYSA-N 436.534 0.439 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)on1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 28792943 IULCAAYSJWYCEG-ZDUSSCGKSA-N 445.457 0.268 50 20 ICGD Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725872781 RWWSERCSUJYATE-QGZVFWFLSA-N 429.477 0.722 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCc2nc(C)no2)c1 727604198 RUJBTZKUIILKAG-UHFFFAOYSA-N 438.510 0.985 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2cccnc2)cc1 728981949 NHQVQOVHZCSFHI-UHFFFAOYSA-N 447.517 0.232 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(I)c(F)c1 729172218 UASHQVYKSIZIIR-MRVPVSSYSA-N 426.207 0.626 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731761297 DCTZHWFUUUXXNX-ZDUSSCGKSA-N 430.502 0.432 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734240597 UPDFMYXDEYZAKI-BUXKBTBVSA-N 440.501 0.342 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCOCC3)cc(C3CC3)nc21 745988360 YRRGQGHPCNEJSX-UHFFFAOYSA-N 430.465 0.717 50 20 ICGD COc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)n1 746633214 QUVOILBKZYUFJI-UHFFFAOYSA-N 448.505 0.403 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)cn1C 748340914 LHIHLXAWEPIXLN-UHFFFAOYSA-N 442.505 0.491 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1)OCO2 753840601 KBENBVORBRLYQF-UHFFFAOYSA-N 429.385 0.675 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 755535647 YAEBCQPEQWEIIU-SNVBAGLBSA-N 442.523 0.223 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)n1nnnc1C(C)(C)C 757714465 GBPBUESSRGDAEU-QMMMGPOBSA-N 429.890 0.294 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 761154381 HYGPPWAPPNULIS-QZTJIDSGSA-N 438.488 0.363 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 762264888 CSSCDICVMRXMFM-CVEARBPZSA-N 440.478 0.024 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763658478 YMIDZJQDOZESCS-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 763667934 FMNIPOFXKPGTDK-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 763681514 LFCVZXJFKPRIHR-UHFFFAOYSA-N 425.426 0.767 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 763745171 ACSMHASQFKPYGQ-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 763774895 IWWRGQDIXOAXMK-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763867307 ZNZBLUQVBYVKRC-OCCSQVGLSA-N 428.420 0.983 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1C(N)=O 763944666 ZOAJYLMXJBBZHT-SECBINFHSA-N 431.474 0.775 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 764250151 KMQOCRBAILHODI-UHFFFAOYSA-N 436.371 0.813 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764280988 VMOFXEJFIKJYEH-UHFFFAOYSA-N 437.412 0.522 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 764401245 UVVQMXADSDOSEP-LLVKDONJSA-N 441.847 0.861 50 20 ICGD CN(C)CCCNC(=S)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 764518458 DMKTVYAGCSHVRG-UHFFFAOYSA-N 427.018 0.905 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)N1CCCCC1 765118981 JUWAFMXJYIFGBG-UHFFFAOYSA-N 429.974 0.809 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 768638307 HHHARYLUGBQSTR-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCn2ncnn2)cc1 771582698 MHPGKWWWOAHYPP-GDNBJRDFSA-N 435.448 0.144 50 20 ICGD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605853 SOMFPFJTZZWZAN-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc(Cl)c1OCC(N)=O 773082432 VVVJJJPVILRYQR-UHFFFAOYSA-N 435.824 0.641 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 777276732 ZRDHIKVVYBPAQP-PMACEKPBSA-N 449.552 0.350 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783259381 ZTVBGZVPAROGRK-UHFFFAOYSA-N 431.474 0.862 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)cc2)CC1 783433211 OMBTTXHACSAGGP-UHFFFAOYSA-N 435.492 0.886 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 784004414 XEWARFCJCBVROY-UHFFFAOYSA-N 429.458 0.173 50 20 ICGD CCc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1Cc1ccc(F)cc1 785183184 RQESXKJRTIGJCI-UHFFFAOYSA-N 425.424 0.614 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 790062966 DUEQTEIQDSEVTR-OAHLLOKOSA-N 443.522 0.694 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 792847942 BTRWVUDZTZWKOW-HNNXBMFYSA-N 425.507 0.267 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)sc1C(=O)O 794599402 YUQLOKCCQWCBHU-UHFFFAOYSA-N 427.460 0.991 50 20 ICGD CCC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 794851155 NXPCFEGQILDMFL-UHFFFAOYSA-N 427.870 0.922 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(OC)c(C)c1OC 797009578 UNTKTNPMRYIYSV-UHFFFAOYSA-N 433.417 0.891 50 20 ICGD CC(C)c1c(Cl)ncnc1NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 798141839 HOJQIGWEJWHPLD-JTQLQIEISA-N 428.902 0.862 50 20 ICGD COc1cncc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 799123163 QNWRPZXUMBWTNK-UHFFFAOYSA-N 429.499 0.982 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802099497 JJKDEHTULXFLMS-UHFFFAOYSA-N 426.183 0.293 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812451450 IRPRQXYGBPYGOI-UHFFFAOYSA-N 434.294 0.897 50 20 ICGD CCC(CC)(CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)OC 813874041 VBUNSISYKFXEKA-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD O=C(/C=C\c1cccnc1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 879378245 RXDYGJMPTXCJRM-POHAHGRESA-N 444.513 0.896 50 20 ICGD COc1ccnc(NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)n1 914762808 LKODGBSPZLJGRY-ZDUSSCGKSA-N 441.897 0.815 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)C(N)=O)ccc1Cl 917358546 AFWPCPJMOQFHDF-UHFFFAOYSA-N 426.838 0.396 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)COCC(=O)NCc2cccnc2)CC1 1116084974 LIECGSPTGAQMKE-UHFFFAOYSA-N 449.508 0.509 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(F)cc(F)c3)CCO2)C1 1779032751 UERXRZOCUZRTDB-NRFANRHFSA-N 445.426 0.721 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1779123081 OQEOCGICGUQZQD-CJNGLKHVSA-N 447.261 0.233 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365632 HZUDGBCNIASQTL-XPTSAGLGSA-N 425.795 0.521 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780904970 ZFRRNIGGKQTKCF-FUHIMQAGSA-N 441.887 0.433 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781213611 RSOHTKFWPDATDC-SJCJKPOMSA-N 430.914 0.299 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781227821 QCKUJNGBIJQAKI-ZWKOTPCHSA-N 429.109 0.046 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1781498366 PVLIDVMALRBUND-PIGZYNQJSA-N 433.292 0.879 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997555 BOJOFVVMTSUIQA-UYAYXHRUSA-N 430.343 0.974 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nc1 1782212031 OXCBKAQKDBFNCJ-XMSQKQJNSA-N 447.536 0.591 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CCO2)C1 1783876485 YDGBIFYPHAQZSD-IERDGZPVSA-N 448.907 0.700 50 20 ICGD O=C(CCn1cncn1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143565 NOAOHEWIYHITDJ-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD Cc1cccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611721 VEPDZMIUJMLZRR-WBAXXEDZSA-N 438.488 0.296 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nn[nH]c1C(F)(F)F 1789358828 NPERCYYOHXCFTI-XKNYDFJKSA-N 425.795 0.017 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(-n2ccnc2)ccn1 1789371674 DCWDUJLZSFHDBE-IKICRFKJSA-N 433.896 0.460 50 20 ICGD CC1(C)CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1791341471 WJWAXSTZQWQIDF-KKXDTOCCSA-N 429.521 0.715 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793779877 QJKLQKZOAPQAMK-DHBZOUTCSA-N 441.956 0.621 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795682467 RJQJZVVNKGIJCW-OQAPJDJNSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCc2ccccc2[C@H]1O 1796187735 ARGBINJYWFXVCY-QGAVKGNSSA-N 448.328 0.914 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccccc1-n1nccn1 1796189402 INRGFKRKLWGIIV-REPLKXPHSA-N 445.288 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1)C2 1796445502 CIAUWUKAMDLRAJ-XHPRPZMGSA-N 433.534 0.606 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797186797 STSOHOQXTSKYFI-WQDJSCAQSA-N 449.935 0.876 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797902498 YQJFAXJHGZVACH-UXXRCYHCSA-N 428.331 0.677 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)c1cccnc1 1799344256 FEKWEIPDLZJZBK-AYRXBEOTSA-N 443.273 0.092 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799364708 BCOOHVINODAKJA-XXUMUBMXSA-N 437.896 0.386 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012129 GRJKLWWHQWDJBD-UPHUGPLXSA-N 445.520 0.221 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3snnc3c1)C2 1802336144 DZNIQYZOSVQUDJ-BTTYYORXSA-N 431.522 0.711 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)C(C)(C)C)[C@H]1c1cccnc1 1803080133 ULDROPSNBVFIJT-NSISKUIASA-N 433.553 0.867 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1804784207 RRNLGFXSIJBFJS-UTKZUKDTSA-N 440.504 0.408 50 20 ICGD CN(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806897084 YJUCVNRUHNCCDI-OXJNMPFZSA-N 439.520 0.351 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365352 ODKZJMKQTXHZMY-JBACZVJFSA-N 437.305 0.650 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1808314239 WIEDSANRFULGHP-KCXAZCMYSA-N 434.859 0.934 50 20 ICGD Cn1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1=O 1809969329 QAYQWXKYCCELOC-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1 1813068906 QTXYZCQRMMXPNH-KBXCAEBGSA-N 431.522 0.626 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cncn1 1813403779 QYKFEPMQBWPORO-SYNHAJSKSA-N 442.524 0.313 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(=O)N(C)C)CC1 1826741368 CDBHVGQNCMRCJT-LSPPGFKNSA-N 444.536 0.828 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1830537302 DBCCXPDAHFOIFZ-FZKQIMNGSA-N 443.294 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)CC1 1831942086 ROEMAUPDDDMJJK-QZTJIDSGSA-N 435.569 0.505 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833487488 NGJIVTBYNGKVLP-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614530 NYTUNIKHILMWOA-QGZVFWFLSA-N 438.956 0.891 50 20 ICGD Cc1cnoc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801066 IUCGDYIORNODQP-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516877 YPGWHYCXYUOTDT-XHDPSFHLSA-N 437.360 0.243 50 20 ICGD C[C@@](O)(C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1836713820 MDLGMPISJAZHOV-CZUORRHYSA-N 430.851 0.898 50 20 ICGD CC(C)(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456709 MQSDZTNQIIGROA-NRFANRHFSA-N 433.509 0.191 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838170965 YXAPQAUNQNQZQH-DNVCBOLYSA-N 427.885 0.068 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C1(O)CCC1 1839197178 LDROKLKMJMGAFM-WWGRRREGSA-N 437.306 0.684 50 20 ICGD COc1c(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1839393389 YVPINDQHPFNTBE-UWJYYQICSA-N 440.924 0.982 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1839963521 NFTIVOZYIOZSJD-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840033779 PVLGTCIOQDTURN-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1840150540 MTROQBNEUIDTRE-DNVCBOLYSA-N 428.917 0.361 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840153876 DJAKZSVDGMLCAZ-UZLBHIALSA-N 425.913 0.827 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841289022 GITHJPJPFIRJRZ-LBPRGKRZSA-N 441.282 0.991 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841807426 FRBQOFCGPHYKMF-UHFFFAOYSA-N 437.261 0.724 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843161003 JQWHEXONMNVSND-UHFFFAOYSA-N 440.508 0.276 50 20 ICGD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(-n2nccn2)c1 1844760001 CQNDYWXGZCOGMH-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)C1 1848099461 LASICRGAJUWHKZ-AVGNSLFASA-N 427.889 0.196 50 20 ICGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889960 UTZWJLMSNDGFDZ-HNNXBMFYSA-N 446.533 0.985 50 20 ICGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733348236 KILATOHXZSLXTA-INIZCTEOSA-N 427.509 0.759 50 20 ICGD CC(C)NC(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 733953080 AWHVJDRGLDEOKG-UHFFFAOYSA-N 440.416 0.782 50 20 ICGD O=C(NCCOc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 734072022 SYJLCVSHAODVHH-UHFFFAOYSA-N 449.489 0.126 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCNS(=O)(=O)c1cccs1 734239091 GNLXONKJKJIHPW-UHFFFAOYSA-N 435.528 0.272 50 20 ICGD COc1ccc(CC(=O)NNc2ccc(Cl)nn2)cc1S(=O)(=O)N1CCOCC1 735687101 QALRTSKMFYGTBI-UHFFFAOYSA-N 441.897 0.845 50 20 ICGD CNC(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 741092049 RGWVAYDDZYWHQI-UHFFFAOYSA-N 447.517 0.483 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 744500295 XMBINTQFCWWBEF-INIZCTEOSA-N 436.424 0.924 50 20 ICGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745846729 KHTOMNFLMJZRDS-CQSZACIVSA-N 442.538 0.449 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1ccncc1 747428631 CZGBCAHJPSJZAM-UHFFFAOYSA-N 441.307 0.903 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)CNC(=O)c1ccco1 751204871 QQSAHQMMELNERD-UHFFFAOYSA-N 448.501 0.574 50 20 ICGD COc1cc(I)c(C(=O)NNC(=O)C(=O)NC(C)C)cc1OC 751302032 DGUWXFKWWXVOGH-UHFFFAOYSA-N 435.218 0.594 50 20 ICGD CCOC(=O)NCCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 752144493 YZDKBDRZIQEDJM-UHFFFAOYSA-N 427.527 0.592 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753612708 SSBBGTJYAFVSQJ-OAHLLOKOSA-N 429.520 0.199 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 756784977 RGFPBECWRDYDLJ-UHFFFAOYSA-N 437.434 0.986 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2c(OC)ncnc2N(C)C)c2ccccc2c1=O 757709550 RXHCIPWEMGJBSN-UHFFFAOYSA-N 426.437 0.748 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2O)cc1 759260477 PHNOCHLHVFOXHV-UHFFFAOYSA-N 437.474 0.722 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 760977876 SFBKFFFWCKGDPB-KBPBESRZSA-N 441.554 0.755 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 763491287 HCHLFIWPQUAPMR-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763531803 RIUBHZWJUARJFD-UHFFFAOYSA-N 440.504 0.697 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(C)(=O)=O 763571614 JXFXWPQLKSHTAN-HNNXBMFYSA-N 433.442 0.324 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1c(C)nc2ccccn12 763629916 SKSGJDMRXLIRNY-UHFFFAOYSA-N 436.428 0.939 50 20 ICGD O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cnn(CCN2CCOCC2)c1 763724205 YLZSBFBRGMCCSG-UHFFFAOYSA-N 444.536 0.518 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 763813392 HYZGOVHOAPDKKB-UHFFFAOYSA-N 442.453 0.840 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 763891011 JKAMNJJODIPAOH-UHFFFAOYSA-N 442.501 0.204 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 764297932 IZHYSAQQADGNBQ-UHFFFAOYSA-N 436.494 0.442 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cn1C 764332083 CGADCCOBULXYLJ-UHFFFAOYSA-N 442.448 0.321 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 764398259 QSBKJMLCBOVCLV-AWEZNQCLSA-N 427.461 0.739 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 764398801 XCULVYWTNXBSTH-ZDUSSCGKSA-N 436.465 0.350 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 768635582 GNTYSKDSLBSFFB-AWEZNQCLSA-N 445.505 0.830 50 20 ICGD O=C(CCC(=O)Nc1nnc(C2CC2)o1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890004 VELDDCBRYFNNQI-UHFFFAOYSA-N 434.840 0.783 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897520 JXBLKVGCVJFUSL-NVXWUHKLSA-N 449.939 0.436 50 20 ICGD CCOC(=O)/C(C#N)=C\NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773149097 KOYOZZZILZTUEP-SEYXRHQNSA-N 431.492 0.351 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)nn1 773496633 LYGDKWBHTSSZAL-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc(OC)c1 782898000 VRWBBUDMBAVNJH-UHFFFAOYSA-N 449.489 0.705 50 20 ICGD O=C(NNc1ccnc(Br)c1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 784837197 FZAROPKCZSTQQD-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1O[C@H]1CCOC1 785022908 AYAXGQRCUJWGAK-LBPRGKRZSA-N 430.373 0.868 50 20 ICGD O=C(NNC(=O)c1ccnn1CC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 789866791 DPJOCUAFTKIITH-UHFFFAOYSA-N 443.432 0.244 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)n1 793044358 WIULKMHKQHFKNH-HNNXBMFYSA-N 443.464 0.172 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C 793203154 SNTOIUBABAFUPB-JOCHJYFZSA-N 437.456 0.857 50 20 ICGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 793672555 CMJVTZHMZNVNPT-QFBILLFUSA-N 440.566 0.510 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1COCCN1C1CCCC1 793683821 VJWHILXKDGIILH-FQEVSTJZSA-N 443.548 0.235 50 20 ICGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 795313235 DOUQCHWQLBAXQU-KRWDZBQOSA-N 447.517 0.600 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc3c2OCO3)cc1 800831312 SSDIYBCGPJAYPI-UHFFFAOYSA-N 441.487 0.354 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNc3ccc(-n4ccnc4)nn3)cc2S1(=O)=O 804956770 XZWGYZAUFZJTJY-UHFFFAOYSA-N 427.446 0.972 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 805373542 SPXWLBWIZPEBMT-UHFFFAOYSA-N 433.446 0.781 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 806975051 LOKXWWPALWLMRY-UHFFFAOYSA-N 443.508 0.566 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc3nccnc3c2Br)CCS(=O)(=O)C1 807001107 PRGGVYKUXIAWSX-HNNXBMFYSA-N 442.295 0.529 50 20 ICGD COC(=O)N1CCC(CNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 807525447 GMLNJMFNASGBGA-UHFFFAOYSA-N 428.515 0.873 50 20 ICGD Cc1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1F 815692642 XDDUYDHPUUFNEZ-VIFPVBQESA-N 439.245 0.837 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCN(C)CC3)cc(C(C)C)nc21 819720721 FMCJTRGFPZMUTH-UHFFFAOYSA-N 431.497 0.632 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 825164110 FWZNTRQZBKNIPJ-SFHVURJKSA-N 425.486 0.467 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 884648304 PBWHMSQWDKVFGT-UHFFFAOYSA-N 441.487 0.331 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)O1 916250067 UYSUPRDMVYVXHE-OKILXGFUSA-N 426.543 0.423 50 20 ICGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 919955154 ABSXICZKTZLALV-UHFFFAOYSA-N 435.458 0.887 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)(F)F 1117392731 WEQXJNLZXIOQHI-SNVBAGLBSA-N 426.421 0.055 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777724575 WLSHEXOSDRRVAX-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1779028690 NTYZBKZOTDUKRG-YEFOHOTDSA-N 425.445 0.435 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1779035003 ZLDMUPZZWZJOPI-GLDPYIMESA-N 449.511 0.932 50 20 ICGD Cc1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)sc1C 1779942611 POAPOWCZJGNNRS-FQEVSTJZSA-N 429.307 0.197 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1780616092 OLGQZNAXWIYQLO-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332199 VONLCHGLQRLAMI-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn(C)nc1OC)C2 1782170905 FNBLMAHVDWQUDB-QMTMVMCOSA-N 428.917 0.810 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1782170965 KCOYQDLWVBIDBD-IOHHAYIISA-N 440.884 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)CCO2 1783935056 NLLNTZOGHFWVPO-OAQYLSRUSA-N 434.541 0.524 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C(C)(C)C)cn1)CCO2 1783935184 QJWOXSNFSCPINB-QFIPXVFZSA-N 446.552 0.591 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1783936303 UCVSITJMTIOMNG-SFHVURJKSA-N 445.442 0.850 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784091889 BSVUSSQZAMPGSJ-CBVHJVASSA-N 447.923 0.769 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1786628944 UGTIJSRPUQERCK-UHFFFAOYSA-N 437.305 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787083295 ROGCWIQMZWOPBZ-AYDFFVQHSA-N 427.885 0.243 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788547560 HQJWAPGYLAQGCH-XQWZKXDRSA-N 437.924 0.829 50 20 ICGD CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1F 1791288725 QFUSQJRQUNFDBK-YDHLFZDLSA-N 438.504 0.078 50 20 ICGD C[C@H]1CCc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)n[nH]c21 1791291211 OUHADNSGRFJCGI-OTRWWLKZSA-N 446.552 0.426 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293335 WPTGUJZNEZLWFU-RFGFWPKPSA-N 433.347 0.123 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1792784101 QHZGEKXVGWINGH-FVCICTRLSA-N 433.896 0.558 50 20 ICGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)ccn1 1792979034 RIHONXVEDKKXAY-XRGAULLZSA-N 425.869 0.061 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794269460 ZCBFNRZFYUIHEJ-ZSMOCIRGSA-N 429.304 0.620 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)F)NC(=O)NCc1ccccc1 1795486494 JXCLDWMICLBCNA-IZZQQSIFSA-N 449.527 0.670 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(C)cn1 1796325681 HTCOXCJHCJRGPV-GSWMANSFSA-N 425.493 0.964 50 20 ICGD Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332748 XYXHWFLFUZHDCJ-OXISGRLHSA-N 442.426 0.904 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1800982694 JPENCWOVYWKGTM-FWEDZOCSSA-N 437.924 0.648 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1F 1801927298 NSGZLBJMQUUENW-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369352 HLCQZNRXUKFNPI-QAPCUYQASA-N 437.290 0.246 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1807369733 TZYBEGRBCOHMRV-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1F 1808885114 XUSKVDRYMOGLOS-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD COC(=O)C1(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809980288 UEPRPLLXGFGDCP-UHFFFAOYSA-N 428.294 0.164 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1812863707 KIDAERBSEWOWEA-YYWXWVFPSA-N 440.342 0.464 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(Cl)Cl 1813076432 QRTXQXQDZOXMGA-AAEUAGOBSA-N 439.236 0.616 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1 1813660575 KGOVGYODNVQXRI-IQYLVTRLSA-N 429.521 0.353 50 20 ICGD CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817275947 IJEDHBOYJMZOBZ-DLDHGHKKSA-N 445.505 0.325 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cnn1C 1817473107 GCDPDALCQTUEMX-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(CC[C@@H]1CCOC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827317132 ACZLYXCITFSGRN-CZUORRHYSA-N 443.334 0.865 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cncn2)CC1 1828926881 UBVVWPNCROIQRR-SFHVURJKSA-N 440.508 0.210 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1829769463 TYVXPNIEYOJJTI-LSLCWXNRSA-N 448.347 0.538 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722333 AJLKWLBWUMPSDQ-OXQOHEQNSA-N 437.880 0.426 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737086 CTIWMJMZRKRRCB-KXBFYZLASA-N 430.860 0.504 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833488651 OSFZEOFZEUINRA-BFUOFWGJSA-N 440.884 0.652 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cncn1 1834826271 ITUZLIYFIIWLHX-BBRMVZONSA-N 430.303 0.081 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857042 MOKLABNILDQFKI-CXAGYDPISA-N 435.315 0.570 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835796281 ZSOMGTFHRLUEOC-QGZVFWFLSA-N 428.587 0.647 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835820099 AAVCYZCXELEKBG-WMLDXEAASA-N 430.977 0.463 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837248697 YFWKPUSQTXPCBZ-YCLSTDHLSA-N 427.929 0.685 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837711310 CVSOYLRNDPCARH-QGZVFWFLSA-N 432.619 0.311 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071906 XXBARHQNXRSRKS-BZNIZROVSA-N 431.287 0.359 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198946 PIXPBVFYQMMQMR-GOEBONIOSA-N 438.294 0.002 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711186 PGPCVSKBLQAEHI-XEZPLFJOSA-N 430.303 0.079 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1840151697 LKXUCYRKPIIRIF-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn1 1840187601 MXHRLYTXRJXGKS-GOSISDBHSA-N 446.287 0.742 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1841654681 FRIFQAMMVIKBGS-OLZOCXBDSA-N 430.933 0.833 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842863373 ULCRIQOIOQCVKJ-NSHDSACASA-N 433.962 0.949 50 20 ICGD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)NCc1ccccc1 1843010448 QPBQKQUEOCMBHQ-VAWYXSNFSA-N 447.300 0.056 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1cccnc1Cl)C2 1844263507 LPKRDRLEHREVST-UHFFFAOYSA-N 428.880 0.793 50 20 ICGD O=C(CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)Nc1ccc(F)cc1 1844991168 JXALFNWCPZPVQF-UHFFFAOYSA-N 439.252 0.351 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1O 1845555651 NMMGXCIUVUQGQS-UHFFFAOYSA-N 437.261 0.161 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1846385593 XBCPZBLQCXTRQC-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn(-c2cccc(F)c2)n1 1848311445 JLDDBVFWYMQPHZ-OALUTQOASA-N 449.251 0.215 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)c2ccccc2c1=O 14282630 ANAMXTQEFVPAIL-UHFFFAOYSA-N 434.456 0.921 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 725880782 LJOXYPLPVHALFD-UHFFFAOYSA-N 435.440 0.892 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=S)NCC3CCC3)cnc21 727865541 VOEKLMMFCLUBKH-UHFFFAOYSA-N 428.316 0.188 50 20 ICGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728210880 YXPGSWGWDACLJQ-UHFFFAOYSA-N 435.506 0.825 50 20 ICGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216321 WEQMSPSVVNHUMB-DOTOQJQBSA-N 426.539 0.650 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=S)NCCc2cccs2)cc1 728312181 GZJYEZIXAGMXCK-UHFFFAOYSA-N 442.588 0.713 50 20 ICGD O=C(COC(=O)C1CCN(CC(F)(F)F)CC1)NNC(=O)[C@H]1COc2ccccc2O1 728328373 HZYWQBREQSWDEM-OAHLLOKOSA-N 445.394 0.791 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1ccc(S(=O)(=O)C(F)F)cc1 728977323 FKPOCOGKNSEYLW-CHPZLBCBSA-N 425.413 0.933 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CNc3ccccc3)CC2)cc1 729513696 JPFRVLQOAPETDL-UHFFFAOYSA-N 445.545 0.561 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)CCc2ccccc2O)cc1S(N)(=O)=O 730032738 FHJHLFLQSBMPAD-UHFFFAOYSA-N 425.438 0.510 50 20 ICGD NC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 735494950 LJKJCJINAKREQG-UHFFFAOYSA-N 426.433 0.277 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 743284893 QMXIHFMRZRTDPN-AWEZNQCLSA-N 433.424 0.214 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2cc(Br)ccc2O)C1=O 743730370 WFGJYVJVZVAPRQ-INIZCTEOSA-N 425.239 0.636 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)c1cccc2ncccc12)N1C(=O)c2ccccc2C1=O 746228825 HRQGJEJGASPISJ-SFHVURJKSA-N 445.435 0.926 50 20 ICGD O=C(NNC(=O)c1ccc2ncc(I)n2c1)C(=O)N1CCCC1 749363050 KTMJPLZPTUWECW-UHFFFAOYSA-N 427.202 0.322 50 20 ICGD O=C(CCN1CCOCC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 750864786 DDLZYWMQXMODKJ-UHFFFAOYSA-N 435.488 0.872 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 755062398 IQXLPLYKHKNURC-SNVBAGLBSA-N 434.312 0.531 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc(F)c(F)c2)CC1 755810692 SKEWRCJEICBIHS-UHFFFAOYSA-N 425.461 0.982 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N[C@H]1CNC(=O)C1 755931568 DRGIMCAPKFEGOT-ROCHPLJESA-N 426.864 0.991 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 756798483 XSDPJZIMTDVKIY-HXUWFJFHSA-N 445.501 0.148 50 20 ICGD COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)OC 756819661 YBHLADVWVFLJRL-UHFFFAOYSA-N 439.388 0.702 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2[N+](=O)[O-])c1 757805450 LTKCXKZTJTWIEC-UHFFFAOYSA-N 436.450 0.909 50 20 ICGD Cc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758045165 BRUTZKMFOLQCDD-ZDUSSCGKSA-N 425.536 0.666 50 20 ICGD O=C(NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)Nc1ccccn1 758838950 AHXISOSNPOOZHV-KGLIPLIRSA-N 431.449 0.150 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 763499641 OPXPKWYVMNNHPR-UHFFFAOYSA-N 432.820 0.643 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCCO3)cc(OC)c1OC 763538456 CBGZMCGAPWKDGZ-UHFFFAOYSA-N 431.401 0.883 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cnn(CC)c2)c2ccccc2c1=O 763801419 RKEOEIWKQBALBC-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763808316 KGLYAVMEKLWHMH-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 764212005 OCLWDNCWKUOGMX-UHFFFAOYSA-N 432.506 0.294 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 764224681 JUSKMHZINRNTGS-OAHLLOKOSA-N 449.464 0.089 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c(OC)c1 764284522 NDJRETOFALEGKO-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c(OC)c1 764284967 XSFCRGZFRPXMCB-UHFFFAOYSA-N 429.368 0.218 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 767851799 VFQVTWFRKJGICW-UHFFFAOYSA-N 425.286 0.211 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 768922686 JUEVWALHERAEKD-LLVKDONJSA-N 428.515 0.837 50 20 ICGD Cc1cnccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 769730193 YTBCZAPVXHTVJG-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1nc(O)c2cnn(C)c2n1 770984207 UMKZKKVHVRSKEU-UHFFFAOYSA-N 434.482 0.339 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 771847877 ZPNRHCHOACIKAZ-SECBINFHSA-N 426.476 0.401 50 20 ICGD CC(C)C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 771886437 XXICZEWZZBYNTD-GFCCVEGCSA-N 438.428 0.421 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1F)S(=O)(=O)c1cccs1 771950771 VGDACCPELNUDAU-UHFFFAOYSA-N 430.483 0.917 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc3cc[nH]c23)cc1 773494537 UEYCIOKMSVPAAR-UHFFFAOYSA-N 443.485 0.883 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCC(=O)N1CCOCC1 776316509 MAOCKJCCOPMBGE-NSHDSACASA-N 429.271 0.406 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)nn1-c1ccccc1 784003576 JLHAXRMCHAXWPF-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cn(C)c1=O 784834412 ZUQJVAMBRUWNCG-UHFFFAOYSA-N 435.506 0.852 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785067793 OEQHHQUFLUACDM-OAHLLOKOSA-N 436.472 0.888 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)cc(Br)c1F 787544379 QYEKMUPSULAUSM-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3OC2)c1 788737130 ZCHMOGLKAXRUFD-UHFFFAOYSA-N 437.499 0.935 50 20 ICGD NC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 792570227 CKAMXHOBFYENCK-UHFFFAOYSA-N 444.513 0.964 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 794072062 QSTIZLTXFTWBKJ-UHFFFAOYSA-N 446.485 0.815 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 794598187 BULIKVWULIIWPV-UHFFFAOYSA-N 426.382 0.970 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 798308645 JCECEGMPOPJJNI-FQEVSTJZSA-N 445.476 0.005 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 799671763 RUMYRAZRCNVBDW-UHFFFAOYSA-N 442.444 0.961 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)c2C1 803836235 IBNITYVGEDZBBG-ZDUSSCGKSA-N 447.879 0.853 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1CCN(CC(F)F)CC1 807093050 IPRFETNTQCHPBS-UHFFFAOYSA-N 437.491 0.569 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 825615089 HMQBSBOEDWILKQ-UHFFFAOYSA-N 426.882 0.886 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 916744424 SHFNKOKBACPKIO-INIZCTEOSA-N 443.437 0.595 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 919839574 NBGFXTIPVXMLDM-ZJUUUORDSA-N 434.301 0.928 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 919887850 ICCDZOAKOXYBFC-MWLCHTKSSA-N 449.316 0.864 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccccc2Cl)c1 1317706506 FSOMYKYFLKRJSU-UHFFFAOYSA-N 438.893 0.899 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777910115 WRTLTMCSMUJJNF-QHCPKHFHSA-N 436.273 0.154 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008625 SMEJOSIGAXJSHC-VEVIJQCQSA-N 428.873 0.269 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329187 APJMKLYYBLHYSP-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781378122 YSVLRXBGPOPOLS-VGSWGCGISA-N 432.521 0.657 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1C[C@H]2C[C@H]2C1 1782214845 NHTMDJWJORQIIL-ZNRYNLAGSA-N 449.596 0.214 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783499222 ZYTRGXPZZXHONR-QPSCCSFWSA-N 434.400 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783844099 BJVVEJKWGKYXFH-AUSIDOKSSA-N 444.532 0.583 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1783967790 WWFDLARKFBVKFM-NPIMYHGPSA-N 442.354 0.832 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1785533383 UBRVQHPOCIDBAT-QMHKHESXSA-N 437.500 0.932 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786979532 VTGQYOCELDPTNP-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD COc1cccc(OC)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789471881 ZWJPCVIAWUMWQR-ZJOBFFGXSA-N 426.897 0.897 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)[C@@H](F)Br 1789925889 XWYFBFLQUFFUOB-RKOGSIPDSA-N 445.289 0.785 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1790963983 QNYZTQSHGMBKAL-XQLPTFJDSA-N 428.331 0.821 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cccc1C=O 1791289072 IBHNBAUYYJNOQO-CAMMJAKZSA-N 447.536 0.214 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791685102 JJEGRHUPIWBDPY-NDKCEZKHSA-N 429.319 0.245 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1795111361 FDMPKVKEHHEJGY-DIYOJNKTSA-N 449.195 0.716 50 20 ICGD Cn1ncc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)ccc21 1797625113 DNRJZDBBDSUTEG-ACDBMABISA-N 432.289 0.819 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)CBr)C3)CC1 1797927715 SOGWRTFGWVYXHA-MXASKKJJSA-N 443.386 0.820 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](N)c1cccnc1)C2 1798439182 MPDZLUGTEIFLHZ-RCJHGTSTSA-N 437.504 0.422 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1799266109 VWSUZNBFHXNWJV-NPJQDHAYSA-N 446.976 0.836 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2nc1O)c1ccc(B(O)O)cc1 1800924380 HBIOGSPOQNYGPH-BCDXTJNWSA-N 446.272 0.581 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1800974100 KIORLAQFJMUKQD-UTINFBMNSA-N 434.770 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCSC1 1802052994 XLODWLVSSDFOMY-VWPFQQQWSA-N 433.534 0.032 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnc1 1803314898 YZFJXBPICIEQNF-HGHGUNKESA-N 441.536 0.918 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccnnc2)[C@@H]1c1cccnc1 1805488616 JMLRWPQLCLYAJB-BEFAXECRSA-N 446.471 0.504 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807107940 WEAPHNDXIDSHRV-VQIMIIECSA-N 449.276 0.273 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807806621 VXBTXXXAUQIORR-HNAYVOBHSA-N 428.497 0.201 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1808354207 DQWBRVNUTQWYCX-CADBVGFASA-N 431.924 0.652 50 20 ICGD CN1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350007 DABWMGVUJGVFCV-RDJZCZTQSA-N 442.350 0.533 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(O)ncn1 1815356831 HLJDMWHYGWGVNM-INIZCTEOSA-N 436.237 0.205 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)o1 1817534881 QBVQFIASCXVUBO-INIZCTEOSA-N 438.253 0.330 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818805031 PGWRYDCUQYNXFV-QWHCGFSZSA-N 429.974 0.556 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403870 KNPOOWNRQYQNRX-BDJLRTHQSA-N 442.480 0.239 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824653129 HNDLEXKHJDZOHV-IBGZPJMESA-N 438.293 0.409 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053294 JCJLTTUEANDEHZ-FQEVSTJZSA-N 429.326 0.126 50 20 ICGD CNCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926425 HEZGGXPRFSRXDR-IBGZPJMESA-N 430.553 0.918 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829801098 BFUJOSCYWIQSFL-XAUMDUMWSA-N 440.928 0.048 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832484865 UWFJHEYFRDOEJJ-ZGXWSNOMSA-N 441.532 0.811 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@H](O)CCl 1833310244 DZHRUGMDMBDQHK-OAHLLOKOSA-N 426.901 0.278 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1)[C@@H](O)CCl 1833313961 WTRNSMKOMMTSHT-SFHVURJKSA-N 448.955 0.443 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326320 UXIHAHVNPOJYDB-INIZCTEOSA-N 440.907 0.346 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834606081 LHOAKVMQUIHYJI-ROUUACIJSA-N 433.288 0.946 50 20 ICGD Cc1ocnc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836009814 WZDKPKUICHSJSG-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC(C)NCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837909647 ZDPKMINGZCPEPS-UHFFFAOYSA-N 439.601 0.746 50 20 ICGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cc1C 1838152589 UHPBOGHWJVSPPK-YOEHRIQHSA-N 447.305 0.972 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838338268 VVWCMRSOKUIVAR-CZUORRHYSA-N 432.246 0.081 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199177 RTHNFEUEHWFFJP-KEYYUXOJSA-N 436.322 0.618 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202394 DVLODYOZTISVLI-MWHIQHKOSA-N 436.278 0.173 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)o1 1840032266 SXMMDQBYOSIAQG-BZNIZROVSA-N 431.287 0.160 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840153600 UYYYZRICZYFHDG-TWOQFEAHSA-N 441.912 0.120 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842210838 DUUSEEBSQMLKSO-LPYMAVHISA-N 426.433 0.037 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1844758846 FXPRQSBQIIUDPX-UHFFFAOYSA-N 447.448 0.514 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1O 1847403748 FVYVMFSNXNUFOD-IRXDYDNUSA-N 439.472 0.457 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 18230882 VULYRPCTWLQBMO-CQSZACIVSA-N 442.476 0.056 50 20 ICGD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 21632154 QTDOMCPKEAIFGY-UHFFFAOYSA-N 443.463 0.520 50 20 ICGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1C 117278426 ZRXFPXYVDSVCSZ-UHFFFAOYSA-N 441.444 0.756 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C 212406172 FZUXADSRISOBKM-PUMYGXPMSA-N 438.550 0.998 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NN=c2cc[nH]c3ccccc23)c1 730289257 HUQUZWQHRVUJAK-UHFFFAOYSA-N 429.502 0.992 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)NCC(N)=O 731472903 BOTJDRFOEOLHLN-GHXNOFRVSA-N 445.277 0.696 50 20 ICGD O=C(COC(=O)CN1C(=O)CCc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 732374213 JRFYXPLELPKHOS-UHFFFAOYSA-N 426.385 0.878 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1 742034126 ZJPFNRASUNXWOH-UHFFFAOYSA-N 433.486 0.697 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 748246466 AHYFRPYTVZGNBE-UHFFFAOYSA-N 442.925 0.511 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1Cc2ccccc2O1 748328032 ANIXGTBZDBJRSE-INIZCTEOSA-N 449.445 0.207 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC2=O)c1 752299814 RNLFQJZRZPGSNX-LBPRGKRZSA-N 430.417 0.227 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccccc2CS(C)(=O)=O)c2ccccc2c1=O 756268486 APQOXQXGGDTEGQ-UHFFFAOYSA-N 429.458 0.945 50 20 ICGD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 756541136 CGCAZLQZEZSFCR-CYBMUJFWSA-N 431.536 0.987 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cn1 757050199 YJYADSWJABYDTF-UHFFFAOYSA-N 438.485 0.747 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048484 TTYNBSHQMRZKAX-DZGCQCFKSA-N 428.511 0.413 50 20 ICGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc21 760296533 NWPXZQRLTZZQIN-JOCHJYFZSA-N 427.457 0.994 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1cccnc1 763491426 JDWGSWWMTSERBH-UHFFFAOYSA-N 446.363 0.783 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1N1CCOC1=O 763577757 LBPPUDWNGUGIKS-QGZVFWFLSA-N 440.412 0.878 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cn1 763614687 VRTNMGKMDBPICT-UHFFFAOYSA-N 445.443 0.522 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1-n1cnnn1 763820491 IHVWUZDDMZMDBJ-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763825565 RNIMTDWGMIOVQI-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1 763872988 QLGSCIVSURBVCG-ZDUSSCGKSA-N 426.429 0.470 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(COc2ccccc2)c1 763996872 GIUWVHVQIDADKQ-OAHLLOKOSA-N 431.470 0.786 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 764231344 HHUBYGPQNKGPKS-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD O=C(CSCC(=O)N1CCOCC1)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764333484 JTUJACXNCRMFAR-UHFFFAOYSA-N 428.461 0.892 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 764401885 YWTIGPMWNLFLHQ-AWEZNQCLSA-N 428.449 0.498 50 20 ICGD O=C(CNC(=O)c1cccc(F)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739246 RLLBMZFTMGIWJG-UHFFFAOYSA-N 441.463 0.161 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 766320472 GBFWNXUTOJBKIM-UHFFFAOYSA-N 446.894 0.005 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1OC 769336664 ATMILBSFERPBNV-UHFFFAOYSA-N 440.478 0.828 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 769430466 GKGASZXKNVNPFV-CQSZACIVSA-N 433.477 0.738 50 20 ICGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 773052131 ZPUNSXFAUZAEKH-INIZCTEOSA-N 436.534 0.881 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3sc(C)cn3c2=O)cc1OC 775891627 MINMXOZYBPWBNF-UHFFFAOYSA-N 446.441 0.700 50 20 ICGD C[C@H](O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 786696655 NPRZOAOOVQHXQZ-INIZCTEOSA-N 446.529 0.335 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 792007690 ZXMUGKRGJUUXMV-INIZCTEOSA-N 428.323 0.988 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 797939660 HUAKCUUVFXSVPG-SAABIXHNSA-N 430.505 0.571 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 798111954 ULHWENCCJGPDDZ-QGZVFWFLSA-N 425.445 0.760 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799674867 CEVQJBGJHDQCCX-UHFFFAOYSA-N 448.473 0.973 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801431863 QTXFIGYGNYSXGW-GOSISDBHSA-N 440.840 0.421 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(Cl)c1 802048160 LZEUGUAUZPWCOE-RYUDHWBXSA-N 428.898 0.837 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCCN1C(=O)c2ccccc2C1=O 807494423 BIYHXMWFWKROFT-UHFFFAOYSA-N 441.400 0.990 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](c2ccco2)N(C)C)cc1 915897158 XMGIPPSYENVPGJ-MRXNPFEDSA-N 437.522 0.842 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)n1 916228521 FJFHUUJZRVRHBT-UHFFFAOYSA-N 436.538 0.858 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCC[C@@H]3N(C)C)nc2)CC1 1318464996 NQCDVQLBPSYRIN-IRXDYDNUSA-N 439.586 0.517 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cc1 1327533957 SPSOQWKDTSSXBM-UHFFFAOYSA-N 431.474 0.754 50 20 ICGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1cncn1-c1ccccc1 1338278254 ZGCJUUOEDWALRH-QGZVFWFLSA-N 427.509 0.759 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210299 NWSVVTYGLLFHBR-DCTVWTRXSA-N 426.558 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1783932996 OFSZBCFBXVFPDS-QFIPXVFZSA-N 444.532 0.627 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784314525 HRFYLPKBHNIAKJ-VXFQSBSOSA-N 439.476 0.387 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784454850 MBHDYMUEVPWCSE-GUYCJALGSA-N 427.299 0.716 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)n1ccccc1=O 1795115658 FDIMROCMCLVQGK-ZJOBFFGXSA-N 426.311 0.784 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3c1)C2)c1ccc(B(O)O)cc1 1795734168 HFMYXWZKCNQVND-VTYHHJSWSA-N 445.284 0.432 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)F)no1 1795916722 XBTSJDXMTWUDEF-CULMDFNYSA-N 429.424 0.188 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2)[C@H](F)Cl 1796365627 ZWRSGUWIPMZIEH-LZDSYCOUSA-N 437.855 0.797 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439462 GNCREHJCRNXMLZ-AZFUGPKFSA-N 433.509 0.117 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796749082 HEDFKAKUHGHCJG-LFSVMHDDSA-N 449.733 0.640 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2NC1=O 1798580629 BKZVHJUCCYQXQX-MGGIWROYSA-N 437.880 0.209 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1799268543 ZQEIEQDASZFSLR-QRJUGERDSA-N 447.960 0.869 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)N1 1801446289 SAMDIORSFHBELZ-WCSPYGGUSA-N 446.932 0.339 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cccnc1 1803135839 INTTVXRDLGBSFF-SZVBFZGTSA-N 445.907 0.512 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccnnc1 1805487073 RLYXJAXGNDOUHT-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362975 LCURSLANTCPZTR-CVDCTZTESA-N 444.300 0.719 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncs2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365618 VWJDWJVUPNMLRT-VQIMIIECSA-N 436.302 0.851 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807384779 YQCPTLJHJASHHF-QKLQHJQFSA-N 442.907 0.973 50 20 ICGD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813635747 ZNZHZVRBJZCYIK-WIYYLYMNSA-N 437.305 0.386 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)[C@H](O)CCl 1814869826 CPDMVVNJDUHNLT-VXGBXAGGSA-N 434.844 0.046 50 20 ICGD Cn1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cn1 1827059832 JLSBXGJRNJGIHP-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829944741 MYWPZLHSPGBBSQ-HBUWYVDXSA-N 446.342 0.000 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1830532999 CVHBVOGYVKARRU-RVKKMQEKSA-N 443.342 0.932 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1830538051 UWZHNYQEVFQYFK-BDJLRTHQSA-N 447.355 0.826 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730447 ALJRNGWICGXZJJ-SUMWQHHRSA-N 428.898 0.066 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1831876913 MFTHUHVULYUVDK-RDJZCZTQSA-N 434.545 0.227 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)CC1)[C@@H](O)CCl 1833310287 OZJVWWVVXGXEDX-KRWDZBQOSA-N 434.928 0.743 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnc1 1833378974 ZOGSQKVYETVDFL-QGZVFWFLSA-N 447.584 0.389 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833767966 IQSOMMATHZQDES-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD Cc1nnc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)s1 1833830445 ZRVBOEOKDHPIPQ-MRXNPFEDSA-N 444.001 0.950 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597311 COLYKNPVULHZCL-KDOFPFPSSA-N 443.294 0.883 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836864812 OZNWUBFYDRHAFP-QGZVFWFLSA-N 444.337 0.570 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839142109 FDIQMKLTWAJIIE-OXJNMPFZSA-N 429.945 0.863 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839963070 ZBXMUCVFEVATCE-RKVPGOIHSA-N 431.327 0.655 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839963316 HRNRZWNSVAVKMD-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839966574 JISTVOFFCFDWDB-ZENOOKHLSA-N 441.750 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007165 QNUJYLHGFLHEPX-HJXCVWKLSA-N 444.912 0.040 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150500 MXJVDRBQNDWFSR-JXFKEZNVSA-N 425.913 0.968 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840239296 KFDSZWOFWMBNQB-PXNSSMCTSA-N 428.888 0.733 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022959 LJSPSWRGLFLHKV-CYBMUJFWSA-N 426.926 0.349 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 11341818 VAXBUDPTQPPIBB-INIZCTEOSA-N 431.357 0.748 50 20 ICGD O=Cc1ccc(OCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728328886 NPQFQCYEFPLIDT-GOSISDBHSA-N 428.397 0.799 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 728847845 AMGLOWNPQIDZRC-UHFFFAOYSA-N 448.461 0.466 50 20 ICGD COc1ccc(-c2nc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs2)cc1OC 729277277 XXLOBQXNUIDYPE-JTQLQIEISA-N 442.519 0.455 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)C(C)C)c(=O)n2Cc1ccccc1 733128219 LUVZIXJEPDEODN-HNNXBMFYSA-N 440.504 0.867 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(C(C)C)C2=O)c1 734216455 SCVDPBWEVLAVCJ-INIZCTEOSA-N 439.538 0.670 50 20 ICGD CS(=O)(=O)Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 734806466 BEGKJIGOZSFUAH-MRXNPFEDSA-N 426.472 0.381 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C 741207010 ILPPIEZGHJIAKC-KRWDZBQOSA-N 440.522 0.019 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(Br)ccc3O)cnc2n(C)c1=O 743732182 NTZJXBYHVRLBLN-UHFFFAOYSA-N 448.233 0.175 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCN1C 745859208 ZCZROYZJXGLVER-LSDHHAIUSA-N 425.559 0.127 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 746757132 FJTIMLXXDZMEPR-UHFFFAOYSA-N 430.490 0.327 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747437245 FLGAEAVTCROOSG-NSHDSACASA-N 430.483 0.963 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3ccccc3C=O)cc2)CC1 748619932 NARWAFFMYRMUNB-UHFFFAOYSA-N 432.502 0.957 50 20 ICGD O=C(O)c1cc(F)c(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 756929404 FRZLLYNTAJPPTH-UHFFFAOYSA-N 448.429 0.579 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 758039177 IGGLPTMOZCXKNO-OCCSQVGLSA-N 428.511 0.380 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3ccccn3)ccc21 760211778 POEKPXGDSHYLMA-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc21 760296540 NWPXZQRLTZZQIN-QFIPXVFZSA-N 427.457 0.994 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1scnc1C 761271143 JLEMJEDCYDQTFJ-UHFFFAOYSA-N 434.521 0.845 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCC1CCN(S(C)(=O)=O)CC1 761675044 MHHFENALJMSZNF-UHFFFAOYSA-N 430.552 0.789 50 20 ICGD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 763421148 LKVBEAYGIOAHOP-SECBINFHSA-N 425.872 0.026 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 763439812 UUQAKMCEXVCPLL-UHFFFAOYSA-N 435.524 0.705 50 20 ICGD C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763461421 ZLEDFVCGGLITJC-CYBMUJFWSA-N 433.432 0.405 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c2ccccc2O1 763658850 FDCKMSFFFFLFPQ-QGZVFWFLSA-N 443.412 0.189 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc21 763719154 VTSGMFDYOHPYAY-UHFFFAOYSA-N 445.501 0.329 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 763754433 QBFXYHKMSQODOE-UHFFFAOYSA-N 427.461 0.619 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1 763872635 PCZSLLCVZSYUGI-LBPRGKRZSA-N 449.439 0.874 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1OC(F)F 763995968 BBMXRHKAIKOKAM-ZETCQYMHSA-N 425.797 0.462 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764162756 FZPNZZPIJFFYEZ-SFHVURJKSA-N 438.440 0.249 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CCc2ccco2)cccc1S(=O)(=O)NC1CC1 764176752 FTAIUNMQASKFHW-UHFFFAOYSA-N 434.474 0.747 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2NC1=O 764351370 QWYOXNHMIIFQHZ-GFCCVEGCSA-N 434.412 0.991 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 764397786 MZIWQQDUUIDWOR-NSHDSACASA-N 441.506 0.941 50 20 ICGD Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765312845 DNCPPTMRCPBNDW-UHFFFAOYSA-N 445.480 0.942 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Oc3ccccc3)o2)n(C)c1=O 765726612 CLCHXQRTFOTEMF-UHFFFAOYSA-N 438.400 0.280 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 767107680 MHUPEJMVILUQEF-OAHLLOKOSA-N 434.522 0.942 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)C1 767296583 IDVJAHNLCQHALV-MRXNPFEDSA-N 425.507 0.290 50 20 ICGD CCOC(=O)c1n[nH]c(C2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)n1 770038585 QIXHDLYSZDBKAB-UHFFFAOYSA-N 428.493 0.859 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 771146506 AULGJKWZZDHQOZ-UHFFFAOYSA-N 441.466 0.777 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C(=O)NC1=S 772180430 XCKXYKDECFYHMS-QQMDNXKGSA-N 426.882 0.502 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)cnc1-n1cccn1 782064454 HPOGGMVJZINGLT-QMMMGPOBSA-N 446.287 0.120 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)nc1 783265789 XUTILWTURCNNEC-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD O=C(NNc1cc(Cl)ccn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784861529 LXVRBGGJDXWFHI-MRXNPFEDSA-N 445.863 0.831 50 20 ICGD COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)n2)c1C 789732235 RZPJAUSLAQVMHC-UHFFFAOYSA-N 443.489 0.737 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 792574105 YAJILURCNWBWNU-INIZCTEOSA-N 448.453 0.163 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C#N 793349594 RZBZABKNUXKODO-UHFFFAOYSA-N 449.514 0.670 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c2ccccn12 794065697 ZHZWDDYBTUFHFM-UHFFFAOYSA-N 445.457 0.425 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802064030 GQJHBXUJMDBYPA-OAHLLOKOSA-N 446.551 0.837 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1C 813033913 QZNONRMITTVUPP-UHFFFAOYSA-N 433.490 0.687 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 815590203 OGMBGVROUXZPAI-UHFFFAOYSA-N 449.367 0.582 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cn1cc(Br)c(O)nc1=O 817053042 ALUQWJCQQQZXLS-UHFFFAOYSA-N 446.283 0.105 50 20 ICGD CN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 825173362 WXVLYNREAIZRDT-UHFFFAOYSA-N 426.341 0.439 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 913343528 LUWPNHYCGVTNLY-UHFFFAOYSA-N 441.487 0.291 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1S(N)(=O)=O 915595862 DJCWPAQBTPBFPQ-UHFFFAOYSA-N 447.448 0.876 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1 916260053 OIHWUIPUCYVROT-CQSZACIVSA-N 442.538 0.997 50 20 ICGD CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 917031368 RWQQQIGJNSPOQS-UHFFFAOYSA-N 432.458 0.837 50 20 ICGD O=C(Cn1c(SC(F)F)nc2ccccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885696 QOQJTUXILPHLCB-SECBINFHSA-N 433.462 0.869 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCN(C)CC2)cc1OC 921199813 QYQGXWDHUBVOCR-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 933522590 PPAHFYOENCYYGO-UHFFFAOYSA-N 436.428 0.925 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1779030718 VKUNYOPKSRIKJC-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781094865 JJMWGUREOXJYBA-AYOQOUSVSA-N 435.396 0.689 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)no1 1781229406 DAIARWOAIVXODI-ROUUACIJSA-N 447.319 0.779 50 20 ICGD O=C(c1cnc2ncccn12)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329972 OWGMTHCJGNBWPC-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1782179857 WDTDVIDQRFFAQP-BMQTXXJKSA-N 445.004 0.390 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cccn1 1782214004 GWRKILCLMALEGQ-CBGDNZLLSA-N 434.541 0.331 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782278912 RIIZMQQZICXJOS-QGZVFWFLSA-N 427.299 0.894 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1783872759 HABGWSXBWJCKHH-ACJLOTCBSA-N 429.926 0.562 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785523869 BRADQRSRXNPBTF-YJBOKZPZSA-N 429.832 0.706 50 20 ICGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)cn1 1786243539 AQXLQWNYSLYUCM-MNXVOIDGSA-N 427.299 0.862 50 20 ICGD Cc1cc(C)nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1787189797 YPMCJWCCUAGHJM-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4cncn4c3)[C@H]2C1 1788428324 NRURUQLWLBSJTI-WDSOQIARSA-N 442.520 0.301 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640084 WIYYFNJZPRUJCQ-WOYTXXSLSA-N 432.901 0.478 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(-c2cccnc2)[nH]n1 1788934806 FDXMPKUNDDUKKU-USJZOSNVSA-N 433.896 0.665 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1790962305 YWGZRECYKJZVQI-XQLPTFJDSA-N 432.359 0.912 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ccsc2[nH]1 1799938885 DOPKEHVHVBGDQN-JLVBRIDZSA-N 439.302 0.426 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccnc(OC)c1)C2 1800974150 NBVOPUHFAJETCY-YYAJDYIMSA-N 425.913 0.866 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805890293 USKZQYJXACNNLI-PKOBYXMFSA-N 433.277 0.128 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978002 RMUUBZMHSFYHDR-UHFFFAOYSA-N 429.326 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncon2)[C@@H]1c1cccnc1 1811176954 ANPNPWMMHACHFA-BBRMVZONSA-N 436.432 0.097 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067918 HJQTZOYCBMVBIY-OQRYQMPQSA-N 433.553 0.867 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073691 NVOOROOZEIKBFG-LDBYXDLTSA-N 444.536 0.151 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348745 XRFBGECZKLEYII-SNVBAGLBSA-N 429.641 0.880 50 20 ICGD CCn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473524 YZTGHWMDBULVAI-QGZVFWFLSA-N 436.281 0.926 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412674 CPUSYSGQPJAHCI-NKSUMMKUSA-N 434.497 0.894 50 20 ICGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@H](O)CCl)CC4)CC2)CC1 1822711731 FGSMRAPDABKNBY-GXTWGEPZSA-N 441.985 0.435 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cncn1 1822763185 NTXILKIKDVZXIB-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(O)C2)CC1 1824116177 IRVNGNFUOZCAAF-RJYAGPCLSA-N 429.521 0.689 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056175 PRYOLJAJGJLSKF-SFHVURJKSA-N 425.298 0.042 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060326 FWZBLXWVGAGXCS-HXUWFJFHSA-N 429.326 0.126 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2)C(=O)O 1828079836 DLYZAJZZBRKUSV-MBACFSSFSA-N 444.473 0.398 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCCO)CC1 1830369096 DRSAKFNCKQMCDV-JWGRYVKWSA-N 447.536 0.749 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731569 MIDLUUNSYCCHKH-XLIONFOSSA-N 434.880 0.300 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830927199 OIGAMGDLIVUXEX-JXXFODFXSA-N 426.897 0.441 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831892759 BUPIFVIOMMHNAS-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)CC)C3)C2)cn1 1833435037 OKGFQZYIXBPICF-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187287 WWNJHCDLKCLKSH-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801106 MLNMCCFCTLGMCW-QGZVFWFLSA-N 445.369 0.365 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708566 LJUDNOLUPDKTMG-VQIMIIECSA-N 429.590 0.209 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837813358 DQAAOPAJXXGGEH-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155362 RRXSQIWVHDYYSU-XKQJLSEDSA-N 443.393 0.793 50 20 ICGD CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)co1 1839201212 ZMLLCKDJHIFOLS-CZUORRHYSA-N 434.262 0.998 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1839966206 XLQVLWMXTGYSJM-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1840155158 RBLOXBCEJPIABL-UWJYYQICSA-N 448.907 0.954 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841748947 CKJVWEWFIMYHPT-RDBSUJKOSA-N 433.933 0.718 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccnc2OCC2CC2)C1 1842269949 MYVBAMGVBSSNCH-UHFFFAOYSA-N 435.289 0.681 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccn1 1843014544 WAYSDOIZGDWWQE-UHFFFAOYSA-N 437.261 0.069 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c2cccnc21 1844264379 MDEGDIWKAVMQAS-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1844692289 HIVJFXPRGKDMFQ-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1847143218 OGQQSBOIEGUDQA-UHFFFAOYSA-N 443.309 0.241 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 1847762908 CQECYOQCUMTBMM-FHWLQOOXSA-N 427.505 0.754 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847956510 BAAGGYWBALLGID-BZSNNMDCSA-N 443.309 0.191 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 111104801 SYWHRRWVLZBJJU-SFHVURJKSA-N 448.443 0.621 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 725741726 RVAZYSFXSSKXFJ-JTQLQIEISA-N 444.922 0.646 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc(-c3cccnc3)no2)c1 728079614 ZREVKRBTGLSFGU-UHFFFAOYSA-N 445.461 0.255 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 728729972 XMGHLNPAYTZOFU-AWEZNQCLSA-N 434.449 0.877 50 20 ICGD CCN(C1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1)S(C)(=O)=O 731355531 DQBPKMSYRZVVLK-UHFFFAOYSA-N 446.957 0.856 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCCNC(N)=O 736107307 AWZRGGVQEGILCG-LCYFTJDESA-N 429.868 0.770 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc2ncccc12 742068414 FDJUOMIEKILDJJ-GFCCVEGCSA-N 430.490 0.713 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 743294334 XKJLNUZEVRVQTQ-UHFFFAOYSA-N 448.501 0.430 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744949523 KAVASKJZHLWCDV-GFCCVEGCSA-N 434.412 0.557 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)Nc3ccc(C)c(C)c3)C2=O)n(C)n1 745905099 HLKQAEKWYMIRNY-OAHLLOKOSA-N 427.465 0.420 50 20 ICGD Cc1nc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)sc1C 745925933 ZBOHBVMJBLOARL-UHFFFAOYSA-N 439.567 0.917 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)cc1[C@@]1(C)NC(=O)NC1=O 747072811 PGEIGNPQKMNADP-LJQANCHMSA-N 443.441 0.245 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1C[C@H](C)O[C@H](C)C1 751292844 BEMBIYCCDQTSAB-OZVIIMIRSA-N 446.957 0.882 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NNC(=O)Cc2cc[nH]n2)c1 755433701 GDUAEJBEFBINQI-UHFFFAOYSA-N 437.526 0.902 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 756740415 VWZMCHYGTZRINN-OAHLLOKOSA-N 436.494 0.779 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3Cc4cccc(O)c4C3)nc2)CC1 759488435 UBJISUGHOOMECZ-HNNXBMFYSA-N 446.533 0.517 50 20 ICGD Cc1nnc([C@H](C)NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 760143507 WHDYYVYBCTWVGG-NSHDSACASA-N 440.555 0.565 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)cc1OC 760880740 RMJCNQQVXSHVHF-LJQANCHMSA-N 431.493 0.644 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 763875819 BEIJQZRBBFHZJX-LBPRGKRZSA-N 448.457 0.241 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c1 763875970 BWCFICLULUDMBF-CYBMUJFWSA-N 426.429 0.802 50 20 ICGD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763922212 UFEMNZWFAVWTRR-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1S(=O)(=O)NC1CC1 764172261 TWWQLRTZUWXDIG-UHFFFAOYSA-N 434.474 0.747 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc(S(C)(=O)=O)c1 764202758 YYMZZDPCBPAFSB-UHFFFAOYSA-N 447.469 0.595 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764362216 BGSJFAKWGBLDDQ-UHFFFAOYSA-N 433.486 0.842 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 764398025 BZFYWELFHXUFOX-MRXNPFEDSA-N 435.525 0.354 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Cn1ccc2ccccc21 765428276 RAMWVYPPVODSDV-UHFFFAOYSA-N 435.488 0.708 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765570081 RGCOPODRUBGYBX-BHTHQVBYSA-N 429.458 0.452 50 20 ICGD CS(=O)(=O)CCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765755580 IWCISNMMQWDZCP-UHFFFAOYSA-N 430.958 0.430 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNc3ccccc3S(C)(=O)=O)cc2)NC(=O)NC1=O 766939803 WVIJHHNLRUOQFO-IBGZPJMESA-N 431.474 0.971 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 767737980 VLQPYKQRAWCMKP-UHFFFAOYSA-N 428.492 0.620 50 20 ICGD COc1ccc(NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 768339720 ZTPGDVISFBPANX-SNVBAGLBSA-N 426.455 0.764 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 771904295 RNIKSQXBRACAOX-GFCCVEGCSA-N 435.437 0.366 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1 773075099 NWRLMKFYCDKVHO-UHFFFAOYSA-N 433.490 0.786 50 20 ICGD CN(NC(=O)c1cn(Cc2ccccn2)nn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202809 XMMZNONHEYGAAL-UHFFFAOYSA-N 444.496 0.971 50 20 ICGD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccco1 777777668 OAJTYPRNVIIIIP-LBPRGKRZSA-N 434.312 0.455 50 20 ICGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004543 HBZXIJAFYLOQNT-UHFFFAOYSA-N 429.458 0.923 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NNC(=O)CN1CCCC1=O 789856444 GVRJQSLYEUERQX-HNNXBMFYSA-N 436.534 0.942 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCC2)c1 792774350 QDHNMABVSVHNBM-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1 799257665 OFAOCZMKOIPKHD-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 806568179 PJSGQNBXBZSQJV-SNVBAGLBSA-N 427.361 0.361 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 810956557 GKMGUSVLNNYCFJ-UHFFFAOYSA-N 435.691 0.896 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 815778498 UOQCFEZWHLPNMM-CQSZACIVSA-N 430.383 0.807 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN(C)S(=O)(=O)c1cccnc1 817053920 LMBDACXINSLRGG-UHFFFAOYSA-N 427.508 0.096 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 818580533 KOISMBSKCMTIFT-UHFFFAOYSA-N 438.531 0.951 50 20 ICGD O=C(COC(=O)COc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1cccc([N+](=O)[O-])c1 825355000 LMVVKKAPUSJTBO-UHFFFAOYSA-N 442.384 0.863 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C1CCC1)N(S(C)(=O)=O)CC2 913161833 YAUHDGKIOABPJG-HNNXBMFYSA-N 425.507 0.900 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C#N)n1C 913287233 XYUVGDALWUGXJB-VGOFMYFVSA-N 427.442 0.941 50 20 ICGD O=C(NCCCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915880534 HXLHKRXPIFBWQF-UHFFFAOYSA-N 439.538 0.137 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 919694242 QHHDYWZLYROEMC-MWLCHTKSSA-N 434.301 0.928 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)N[C@@H]1CCS(=O)(=O)C1 919887237 YJEZYAFFCBFFJO-CHWSQXEVSA-N 441.485 0.587 50 20 ICGD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 919887284 ZFQKBWWCRIXCKI-ZBFHGGJFSA-N 437.522 0.756 50 20 ICGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc12 1318089902 ZLTBZDDCOWDBAR-UHFFFAOYSA-N 437.507 0.193 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(-n4ccnc4)nn3)CC2)cn1C 1322596290 JOTOYPNOLDFRKC-UHFFFAOYSA-N 445.509 0.248 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3nncc(N)c3Cl)CC2)cc1 1340553238 BWNOZZQIEXMIDR-UHFFFAOYSA-N 439.929 0.470 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840831 ZHGCPVBIVANBKC-ZRHOUOSFSA-N 428.327 0.825 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779068001 ICOGKJHZVRPDIN-RHSMWYFYSA-N 449.298 0.096 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779546755 IEGLJGCWPVSGQN-RZQQEMMASA-N 425.602 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2)C1 1782760957 YIDKTNLRYURZLW-RZQQEMMASA-N 426.583 0.769 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1783878868 KHVMYJDARCZGRI-AJAKECSLSA-N 447.919 0.980 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783933526 OZNUGYLYYXFGGA-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1783933928 NMZKPPRQYXBJOD-QFIPXVFZSA-N 446.504 0.161 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784548754 VYLZDABEJBTPRB-KKSFZXQISA-N 433.509 0.052 50 20 ICGD C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1785837632 VBUORJOYLLGVGT-QXMHVHEDSA-N 447.300 0.973 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788190600 KRXHXUJJMAMIMS-QAETUUGQSA-N 445.402 0.245 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611317 UIAHZTQXIDEQGJ-MUAMBBPCSA-N 429.521 0.715 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056325 SZSSXLVVQMUXNO-QMVSFRDZSA-N 433.347 0.457 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)[C@H](F)Br 1796384199 HWFHYEDEFBRASX-ZZIUEJKTSA-N 449.302 0.780 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccccc1 1797756900 RPBFICMIKIQNAH-REGYPHIPSA-N 437.500 0.692 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2)[C@@H](F)Br 1799348555 KYQLOYIYRJZSAD-PDBZVOLQSA-N 446.317 0.668 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1800759718 DFNYHFYDKRUXME-YDVRFCCISA-N 442.354 0.760 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012198 NAMDYMBOKCDQGC-UPHUGPLXSA-N 445.520 0.221 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)[nH]1 1803811586 HHJAFELOMFIJAR-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnsn1 1804994679 MHMQNPXDKXWGGM-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2cccn2)[C@@H]1c1cccnc1 1807639041 UVODRQPDLSVHHA-UZLBHIALSA-N 448.487 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1c1cccnc1 1813070012 DBTWJJWVVHBGCC-UZLBHIALSA-N 427.509 0.508 50 20 ICGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2 1814326002 IWSMDJCZANBFPI-LDWIPMOCSA-N 428.305 0.790 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361969 WNTKQVQHWWVYAO-ABAIWWIYSA-N 429.307 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCc3cnn(C)c3)sc2C1 1815437727 LQVUWQJWXSGUNJ-AWEZNQCLSA-N 447.565 0.794 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cnccc3F)sc2C1)c1ccc(B(O)O)cc1 1815964387 BYTHAWBSMKRQSG-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401632 LVVPBTQEBSCVBR-SUMWQHHRSA-N 439.476 0.752 50 20 ICGD Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)cn1 1819402280 ZFCNFCMQUJNRFU-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1827054761 LPZHYGYYOQVXRE-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1829846569 XFZUNYICSWFYIQ-DHSIGJKJSA-N 448.358 0.389 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831646558 LDXRMTVMYNGACN-LQWHRVPQSA-N 438.956 0.815 50 20 ICGD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1 1834131929 DDESEZNCNHFFQQ-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD NC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccccc1 1835823330 RBCQLTBRUPYIEX-DNVCBOLYSA-N 430.332 0.989 50 20 ICGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718897 HWLJBUIUQBVLLZ-OAHLLOKOSA-N 434.990 0.069 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840036559 OAVKGVZIXTZFEO-XSWJXKHESA-N 433.343 0.777 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840150596 NWTOQBPGTNMRHH-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840154510 XXOUPKBKVJKEDQ-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038803 VRUPUSKPYOMMPM-FXAWDEMLSA-N 444.580 0.909 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 15314597 LJJZBQXDKMXREB-UHFFFAOYSA-N 442.520 0.211 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCCCC2=O)c1 730129510 SIHOOHFZEYUXJB-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNc2nc(-c3ccncc3)no2)cc1 733360069 ALMOACBUMMVPMC-UHFFFAOYSA-N 445.461 0.902 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H](C)CN1CCOCC1 739058028 BNLALNQIDAZOJM-CYBMUJFWSA-N 426.543 0.200 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(NC(C)=O)c1OC 742480077 GPFRONYMUKGDJI-UHFFFAOYSA-N 425.405 0.713 50 20 ICGD O=C(Cn1cnc2sccc2c1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619084 HIIWCBAGOWMPSA-UHFFFAOYSA-N 449.514 0.622 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2OC)c1 747406552 CCEZNQRMTUMFCK-UHFFFAOYSA-N 433.895 0.880 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755087270 QSRYOXZNXNWYQH-UHFFFAOYSA-N 448.427 0.901 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756087317 BVDWBUCWYGTFOP-CQSZACIVSA-N 439.538 0.958 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763680874 CAWYPJXZJKJGSJ-UHFFFAOYSA-N 442.428 0.605 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 763760272 JXUCSJKGIIREME-UHFFFAOYSA-N 427.461 0.667 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 763773379 WYIOMOFRZVWQTP-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 764227736 QZHNJXFBOKJQCY-SECBINFHSA-N 425.467 0.149 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764378033 HEVQEFKVEKNMPB-UHFFFAOYSA-N 436.371 0.813 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 764388381 QXOWMOIEHRXXGN-UHFFFAOYSA-N 440.391 0.480 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765570085 RGCOPODRUBGYBX-MPTQWLOMSA-N 429.458 0.452 50 20 ICGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765753073 UYROGDWJZUXHRI-UHFFFAOYSA-N 435.912 0.144 50 20 ICGD O=C(NNC(=O)[C@H]1CCCc2cccnc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 766328954 PNQCAKCUIRFEND-SFHVURJKSA-N 444.513 0.984 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767852579 ITRJQWCUSBWVKP-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 768230741 GZFOQPMYGUCFOI-INIZCTEOSA-N 430.392 0.453 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 768255630 LVDQMLBGCQRHDC-UHFFFAOYSA-N 438.550 0.993 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3CCN(c4ccccc4)CC3)nc21 770339726 FANFKCKGHXGMSV-UHFFFAOYSA-N 425.497 0.907 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 771846101 NOHLHKMWAZZJKS-INIZCTEOSA-N 443.547 0.590 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H]1c1cccnc1 772883494 BASUWMRJZUJHCD-WBVHZDCISA-N 429.864 0.718 50 20 ICGD C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776187845 NTUSBGSPEBPLTJ-HNNXBMFYSA-N 437.504 0.448 50 20 ICGD Cc1ccccc1[C@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)NC(N)=O 777839065 YSVPPOUVACEGBH-AWEZNQCLSA-N 447.355 0.921 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cn1 779675353 TVGLSXWVGRHNSY-UHFFFAOYSA-N 426.389 0.745 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)sc2ccccc21 783352051 VKJGFBSVQHLOJE-UHFFFAOYSA-N 429.506 0.339 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2Cl)CC1 783427170 QLKYQDNRYBKJOI-SFHVURJKSA-N 443.957 0.228 50 20 ICGD COc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002966 YMRKBBFOGMIOIW-UHFFFAOYSA-N 426.332 0.406 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNc3nc4ccccn4n3)CC2)c1 791253506 OLAVPFZBERIYQK-UHFFFAOYSA-N 429.506 0.633 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc(Cl)cc1C(N)=O 793027166 YVGBQEOLZMMDLR-CQSZACIVSA-N 432.820 0.537 50 20 ICGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 793351787 ZRZAMEPWAHDZIJ-UHFFFAOYSA-N 446.445 0.219 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(C)n2)cc1S(=O)(=O)N1CCOCC1 794081364 DMNIYAGESKYJMZ-UHFFFAOYSA-N 434.474 0.494 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 797141838 VHSXGDVFDZTEBO-UHFFFAOYSA-N 449.485 0.538 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1)OCO2 797368889 ILSPUCCORKJVSP-UHFFFAOYSA-N 428.401 0.736 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 797653674 HCUNYLBMFOXCDL-HNNXBMFYSA-N 435.462 0.592 50 20 ICGD O=C(CN1C(=O)c2cccc(Cl)c2S1(=O)=O)NNC(=O)c1cccc([N+](=O)[O-])c1 799315462 BERWVBOHNKOTHJ-UHFFFAOYSA-N 438.805 0.854 50 20 ICGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 800724387 OAFGCKFZPRYWJR-UHFFFAOYSA-N 439.944 0.596 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)cc1 801108503 IRORUOOGMFDWGW-KBPBESRZSA-N 429.477 0.828 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1 806746162 OYIJBQADCCVUGZ-GFCCVEGCSA-N 432.437 0.195 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(F)c(S(N)(=O)=O)c2)cc1 807949783 JUHJKFRWDWMNPZ-UHFFFAOYSA-N 442.494 0.552 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 811683536 XKGBCGJSHWPAEL-SNVBAGLBSA-N 439.475 0.137 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc(OC)c1OC 814203965 UFJNPJIJWKYCRY-UHFFFAOYSA-N 428.401 0.469 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cn2)CC1 815567711 ITZQVJGBWXYSEY-UHFFFAOYSA-N 446.489 0.360 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1F 815751975 WZAIKXRSOCPLOY-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ncncc2F)ccc1F 815764277 AERCZPPLRCWPMU-UHFFFAOYSA-N 428.421 0.913 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 912919920 UDZALGQAJNHLSH-OKILXGFUSA-N 446.957 0.655 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 913395668 URKWZNLOQCLCFO-CJNGLKHVSA-N 435.433 0.386 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1OC 916389620 AVZRPUPEEMZYIA-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD O=C(NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12)c1csc(N2CCOCC2)n1 919690157 LEJAFBCHXNYZLZ-UHFFFAOYSA-N 439.457 0.544 50 20 ICGD O=C(NNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)N[C@H]1CCS(=O)(=O)C1 919888994 JVLXMXJOUMGBHY-HNNXBMFYSA-N 437.522 0.316 50 20 ICGD NC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 920502059 QZWJGFUCFZHVOP-UHFFFAOYSA-N 446.485 0.410 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1csc(N2CCOCC2)n1 1325776147 KTOUPWMRCPGFAQ-UHFFFAOYSA-N 440.429 0.362 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825111 CUAFBFYGMVKVNW-PXAZEXFGSA-N 437.298 0.599 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1779028253 ALELKWQXOULQPR-ORAYPTAESA-N 437.447 0.564 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1779295408 NARDYJAUADZWBD-SFHVURJKSA-N 447.630 0.093 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1781996267 FVIWGLMDAIMPEU-WPKBUWHJSA-N 442.310 0.997 50 20 ICGD O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782562936 BSSAMHSIVQDYCY-RHSMWYFYSA-N 428.331 0.967 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782607656 UVFLYSRRQVDPJW-ZOMKSWQUSA-N 443.346 0.922 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786641 BVXAXLKPPJEOFI-FZKQIMNGSA-N 426.857 0.604 50 20 ICGD CCc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1Cl 1785704677 XOOGVUYTIAZIBK-VTPLQMEGSA-N 433.336 0.829 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983319 NIEKHMAVHNVJJL-YSSFQJQWSA-N 448.288 0.150 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788562419 PKNASYYXOBKIJT-RFGFWPKPSA-N 433.347 0.459 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccn1 1791713541 NOGNHQNFIWLOBP-UCKNYWNBSA-N 437.305 0.158 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1800973928 JCIFDOQZMAVCRK-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1803744504 XEQMJIMVFSWMFB-YWZLYKJASA-N 441.492 0.270 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)on1 1804260391 GVJWYZNGHANOMW-VGSWGCGISA-N 442.520 1.000 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365770 WGTABXORGIOEAI-WIYYLYMNSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2nccs2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369766 UQZLLIWFOHOYGH-AEFFLSMTSA-N 436.302 0.851 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373260 RAMFKKBNXOBQAA-LKUPVBHCSA-N 438.337 0.421 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808675543 GEBKOXHRFGHING-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1cncn1 1809972800 QUGROUGILNTYGV-INIZCTEOSA-N 425.298 0.064 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H](F)Br)CC2)C1 1809980816 VTDHIZBJWOSLCI-OAHLLOKOSA-N 441.106 0.902 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3[nH]nc4ncccc34)C2)CC1 1810668398 BGJDSRFQRLUWCK-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1 1813071672 RZCWRIGJGIPVKF-CVDCTZTESA-N 444.580 0.946 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nccs1)CC2)c1ccc(B(O)O)cc1 1815339603 JVAJYWGEULWXAT-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)no1)CC2)c1ccc(B(O)O)cc1 1815344409 XZZKXGIESRWKEE-NSHDSACASA-N 428.235 0.056 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403871 KNPOOWNRQYQNRX-BZNIZROVSA-N 442.480 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCCC1)CC2 1826085323 MVCWOPPLQZDBNU-AWEZNQCLSA-N 436.582 0.914 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1 1827148150 GMZANQGARHRYPS-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD CC[C@@H](NC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926995 WYQPJVHREKKEIS-MOPGFXCFSA-N 430.553 0.916 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705346 FGUULUDLNLYZMU-LJQANCHMSA-N 434.002 0.757 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)NC=O)CC1 1830327807 CKYZLHNVXBENCU-ZBBDXVTFSA-N 444.536 0.875 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830375977 HZNAKKJDEUHRPF-SWLSCSKDSA-N 447.305 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831955311 HFTJUKUQSKFIAI-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489538 ZJXGBZLXVYUYMI-IBGZPJMESA-N 440.884 0.510 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834955873 QLJCVKUZBALOPI-PXNSSMCTSA-N 426.897 0.776 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)ccn1 1837980913 OJPZBTKFFIBEQJ-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839111135 JXZMGBJXFXZJJH-QFIPXVFZSA-N 430.310 0.183 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839176478 RCMOHKSMKQPXNN-KBXCAEBGSA-N 447.326 0.736 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839967343 JWXQUJZNCBZGJP-CRAIPNDOSA-N 434.375 0.957 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265375 WYFSECXTFLDNDP-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2)NC(=O)NCc1ccccc1 1845039870 SRUKQFCYVWFLII-UHFFFAOYSA-N 427.505 0.515 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 26633651 CPMQRNFELNGDCX-SECBINFHSA-N 445.295 0.664 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c2ccccc2c1=O 29122494 PHPPQFXVZICGHW-UHFFFAOYSA-N 432.462 0.038 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 728214006 KQOWSQCJJVUVLU-HNNXBMFYSA-N 437.566 0.713 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 728845382 JEAFLYBXXYPSFS-UHFFFAOYSA-N 437.420 0.643 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 730779252 YZYNHJRCDPXHFL-UHFFFAOYSA-N 431.426 0.539 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c(C)c12 732262066 QWVCRPNCVNWVTR-BETUJISGSA-N 432.525 0.458 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)o1 737816072 BEGGCJDHPBKDHG-UHFFFAOYSA-N 442.476 0.450 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2n[nH]cc2Br)c1 739021245 TVEMSJIUJYUNCL-UHFFFAOYSA-N 445.299 0.567 50 20 ICGD C#CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 741511410 UQXKMXQKKKPOEL-UHFFFAOYSA-N 443.481 0.794 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 743291704 SDWFRQBTNNGETE-HZPDHXFCSA-N 438.550 0.795 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 744384997 QNXAVFJJBURVHM-OALUTQOASA-N 429.565 0.878 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)n[nH]2)cc1 745831671 XEALIPSLILAUAU-MRXNPFEDSA-N 427.509 0.917 50 20 ICGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)Cc1cn2ccccc2n1 746642219 WWTGGEKWLQEETQ-PMERELPUSA-N 428.470 0.993 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 746827237 LULPYIRWMUYFJF-AWEZNQCLSA-N 442.501 0.830 50 20 ICGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccc(Br)cc1 753114019 GBLJQSUGSOMYEF-GFCCVEGCSA-N 449.327 0.582 50 20 ICGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)Cc1cc[nH]n1 755269688 NANQPGFTSDCGPE-NRFANRHFSA-N 446.467 0.613 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 755742763 CMUXDEZCMSWGFQ-NSHDSACASA-N 432.524 0.493 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3ccncc3)c2)CC1 756212802 QNAKVTJAJATZFV-UHFFFAOYSA-N 432.506 0.413 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2=O 756862429 CJLIJLRMBDSJEC-RYUDHWBXSA-N 440.460 0.843 50 20 ICGD CSCc1noc(CCC(=O)N2CCN(S(=O)(=O)CBr)CC2)n1 758512318 KTXQHUOLWXEXTI-UHFFFAOYSA-N 427.346 0.692 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1O 763531236 LTXIWZZVUQCLPX-UHFFFAOYSA-N 441.488 0.942 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 763571256 KXBNVXBGSTUVNB-INIZCTEOSA-N 431.401 0.638 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 763663374 SLDNOABNQLDGSL-UHFFFAOYSA-N 438.444 0.694 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cc1 764063752 XLZOJXJBVPZERT-UHFFFAOYSA-N 435.234 0.713 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764346285 UZAPUJQYUILSEO-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764393087 CGBOROMLAAVLIW-UHFFFAOYSA-N 441.462 0.813 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1S(N)(=O)=O 764401990 VKDYVNNDZLMQIA-UHFFFAOYSA-N 438.487 0.226 50 20 ICGD Cc1nc2scc(C3CC3)n2c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812437 LFAGJGGGLHOEAV-UHFFFAOYSA-N 440.489 0.479 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)c3cccnc23)n(C)c1=O 765729669 XJNGUXYWOWISAG-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cc(C)[nH]n1 768277822 NZGRCIPYWIJMRM-GFCCVEGCSA-N 429.499 0.718 50 20 ICGD COCCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 779905750 NMPGJNOTSGYWPZ-CYBMUJFWSA-N 433.914 0.245 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2Br)cn1 782984474 QEUSWWAANQSTKP-UHFFFAOYSA-N 439.270 0.490 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 784208131 KYKYCVTZMBGJPI-UHFFFAOYSA-N 442.461 0.185 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789809616 BPALHUFIQMFWLU-IRXDYDNUSA-N 431.470 0.749 50 20 ICGD CN(C)NC(=O)Nc1cccc(NC(=O)Cn2cc(Br)c(O)nc2=O)c1 791277369 NIUDDPDRACVCPT-UHFFFAOYSA-N 425.243 0.948 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2ccccc2S(C)(=O)=O)n1 792564847 MTOWEMWMFHVFLL-UHFFFAOYSA-N 425.488 0.331 50 20 ICGD CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369451 XUFHKCAJGDRVBL-UHFFFAOYSA-N 427.417 0.657 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N=c1cc[nH]cc1 802033540 BVJKBDMROSLCHW-UHFFFAOYSA-N 447.395 0.923 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)n[nH]1 810386461 AVDKIZYVOYJPGP-UHFFFAOYSA-N 444.345 0.857 50 20 ICGD CCOC(=O)CON=C(C(=O)NNc1ccccc1S(=O)(=O)N(C)C)c1cc[nH]n1 817054132 USBQXSLYKHSQHG-UHFFFAOYSA-N 438.466 0.087 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1nnc(C)c(O)n1 821680119 HFXIASVITRXTLQ-LLVKDONJSA-N 430.487 0.568 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 914444872 DIBIWOYXNWBPMF-QWRGUYRKSA-N 444.307 0.384 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914800935 DNOGUXPHIFYUNK-KDOFPFPSSA-N 445.472 0.698 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 915164150 HPTPRUAKLSCECQ-UHFFFAOYSA-N 448.457 0.910 50 20 ICGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916471081 ZZGUYTIOXKXWFA-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 919822231 HMFUPOHZQZTSSX-UHFFFAOYSA-N 429.477 0.659 50 20 ICGD O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 921192373 HMLIAUNMKJDRPQ-UHFFFAOYSA-N 443.435 0.882 50 20 ICGD CN(C)N(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1248442051 CGOIWTKZEKFWRP-LBPRGKRZSA-N 440.507 0.980 50 20 ICGD Cc1nc2ncccn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778629382 JJZIIKCVFRETTP-STXHMFSFSA-N 435.912 0.765 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779076503 NBJHAONKPLORGZ-LRDDRELGSA-N 425.265 0.115 50 20 ICGD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780005098 JYQRXSQXJJTKFI-VGOFRKELSA-N 445.903 0.687 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1780119369 QUMLXLJXXNJFQU-LPHOPBHVSA-N 440.884 0.704 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C(F)F 1780308368 UJQSGEVTYMKNRN-LJQANCHMSA-N 442.467 0.403 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330566 BYJWWPNUVLJEFH-LRDDRELGSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782721936 NLWJUPGVFCQYGC-LJQANCHMSA-N 449.414 0.514 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783681752 KKBDKROABCQQRS-RPIBGLMYSA-N 428.493 0.650 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1785296867 LKBUHJFUUJIISY-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)CCC1 1787783921 MXORCGMFXORDAO-KRWDZBQOSA-N 436.472 0.711 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3cnccn3)[C@H]2C1 1788630562 UTKANBJDEGQLOC-QXKUPLGCSA-N 425.917 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccoc4C3)C[C@@H]21 1791287925 DQGPAIPHXHPFMA-JPLJXNOCSA-N 446.548 0.737 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1792867166 ZHVSSBDATPKIME-HGTKMLMNSA-N 434.400 0.656 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccc(Cl)cc3n1)C2)[C@@H](O)CCl 1792981773 UTVUGLYPXDZRFZ-VAECKANCSA-N 427.288 0.791 50 20 ICGD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cnn2c1 1798077199 IWCZEZGFAIRFCD-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1798579790 RNUBXOPONOKXHA-UPHUGPLXSA-N 443.504 0.143 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1800756836 DQPJOPHPGHFCOS-ZNSALQAWSA-N 447.355 0.162 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1801012488 KCZOOEDDBBYIRJ-YVWYUNDQSA-N 447.923 0.788 50 20 ICGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1803140031 AQEJAMZUESQVQS-JCHJZTRSSA-N 437.972 0.323 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1805406402 ZQQGOIBQAMJFGS-HUUCEWRRSA-N 447.960 0.703 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1805948447 RJRNWYRUQGMIDE-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810296031 ZNEFWHVLMXSFBH-MNEFBYGVSA-N 440.504 0.417 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815337264 QCRSJEHPCYIKNF-HNNXBMFYSA-N 437.290 0.461 50 20 ICGD Cc1ncoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339643 LUTMUNGNCMHTEJ-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD CC(C)(C)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817278723 RSBHNARMLANEFS-KRWDZBQOSA-N 427.314 0.784 50 20 ICGD N[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccccn1 1817332905 XVHKARMLVUQXSJ-QUCCMNQESA-N 448.292 0.490 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1 1819400954 YUCXFGHEZQWVCX-QGZVFWFLSA-N 440.508 0.810 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401442 AXFYOUUTOCUBPT-CQSZACIVSA-N 438.452 0.156 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050606 ROWVYTXJMGVBHC-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD O=C(c1cc(O)n[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055417 ZRJSYUKYPAMVDI-SFHVURJKSA-N 426.282 0.342 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1830219268 CAISIPIXIKPZGF-KXBFYZLASA-N 447.315 0.989 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1830300078 MKRULWCJMZDXSA-LXIYXOSZSA-N 437.896 0.890 50 20 ICGD CCSc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720207 VBLSYNJOTSWMDM-HNAYVOBHSA-N 443.953 0.863 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 1830723522 PBICZKUFQDAQCT-DOMZBBRYSA-N 428.835 0.775 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731226 ICCJWKMZQBSTGI-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831988339 VSYAZBSBPMXIRE-CVEARBPZSA-N 425.913 0.785 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c(=O)[nH]c1C 1833386140 MTRDYDPETUAWSP-FQEVSTJZSA-N 440.928 0.722 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833530066 LECCCQCPTBSVED-HZPDHXFCSA-N 441.960 0.564 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833739827 NXHWRNRZFPOEPZ-PIGZYNQJSA-N 447.305 0.965 50 20 ICGD C[C@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833884471 HQYSXNSPNSVLJA-QAPCUYQASA-N 425.961 0.691 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1834531883 IHRPOZIFRZOMAV-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823646 ASQVHGSDZICSAX-SFHVURJKSA-N 447.326 0.737 50 20 ICGD C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(F)(F)F 1837710348 XDONPLXGZQIEON-HOTGVXAUSA-N 442.507 0.608 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837715907 RDVRFSMWAXFEDK-IBGZPJMESA-N 442.585 0.638 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838644571 PAAYQKCTZHIJQF-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839203485 MKGPAYBCTARTJA-HOCLYGCPSA-N 433.278 0.110 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031565 UNGZSPYHANBJOI-APPDUMDISA-N 447.305 0.965 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840036636 PRVXIODAUWKWIR-IOHGLXEESA-N 427.299 0.663 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840151307 YDVZZWYCAPNEGB-SCLBCKFNSA-N 433.839 0.684 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1840642082 FBBGBVPMMFVREW-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840901693 QRBMZDITQRXPDY-DKICVRJWSA-N 441.887 0.796 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841617034 WATPCVPMYWZWKI-NONDHBLVSA-N 437.522 0.005 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1)NC(=O)NCc1ccccc1 1841699834 PVCPABAKZYSQAN-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350740 ULJGFBFMAGWKLZ-SBNBMVPLSA-N 432.322 0.845 50 20 ICGD CCn1c(=O)n(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 12929701 UUDZBMKLWUMANZ-UHFFFAOYSA-N 441.400 0.736 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1NS(=O)(=O)c1cccs1 28483135 DJTQSCMSLCPOQO-NSHDSACASA-N 443.528 0.745 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 726283144 XGJDYNUUUUQMSY-NRFANRHFSA-N 441.444 0.659 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccccc2c1=O 727241303 RQMBWEXDTRXBEC-UHFFFAOYSA-N 428.412 0.648 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)CC)c1 727944935 SXZOWSFHSHAIKI-UHFFFAOYSA-N 434.540 0.096 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 730837024 XJOOJEQAZQKQKA-HNNXBMFYSA-N 449.485 0.690 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC(C)C 732465083 DRUGPJFHPMGJLX-ZPHPHTNESA-N 431.449 0.953 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCCCC2)c1 740810644 SDCUGKNKRPUWLC-MRXNPFEDSA-N 445.563 0.995 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744633138 FQPTULDPUOIREE-UHFFFAOYSA-N 430.442 0.393 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1OC 745882650 JIXUXYLTELUTNJ-AWEZNQCLSA-N 430.465 0.967 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 747583164 IAZOPNKXSUTWIQ-UHFFFAOYSA-N 431.518 0.949 50 20 ICGD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751361104 JNNUAFQYVWLACS-LLVKDONJSA-N 438.487 0.599 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 752776672 GHSUHTYKKJHUEI-UHFFFAOYSA-N 448.501 0.662 50 20 ICGD CC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 756736142 BNBUCDHRJJVZIW-JKSUJKDBSA-N 426.543 0.601 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)c1 763526433 GGYMVXPWWWDUKC-UHFFFAOYSA-N 446.416 0.732 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1c[nH]c3ccccc13)CC2 763541555 WIIOBOFUVSJWDV-UHFFFAOYSA-N 441.469 0.426 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1OC 763550690 JTHRIFAVVRWQSG-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 763645339 ULAMFAYVHHNOAK-SFHVURJKSA-N 440.456 0.370 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)ccc1Cl 763661398 OTRUZCVOTMBYRA-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccnc2Cl)cc1 763737138 OPNUBDUFZLICFP-UHFFFAOYSA-N 439.881 0.450 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c1C 763878649 SFZDNIZTRPCJNX-OAHLLOKOSA-N 445.476 0.902 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)n1 763893475 VRGTYTQADXVJIZ-UHFFFAOYSA-N 444.473 0.481 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 763998598 QILWIYKSQMAQJD-CQSZACIVSA-N 449.460 0.925 50 20 ICGD Cc1ccc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764226868 KTBOFAQAOZEZHY-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD COc1ccc(COCc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)cc1 764435497 WADPUURDBAUJLU-LJQANCHMSA-N 443.456 0.913 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2COc3cc(Cl)cc(Cl)c32)n(C)c1=O 764819122 ZGCWRQQKUUDLGX-UHFFFAOYSA-N 437.243 0.653 50 20 ICGD CCc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(C)(=O)=O 765530081 PZMIJNXLNPRTOL-UHFFFAOYSA-N 428.470 0.974 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 766650441 UJIJRVDJNFAPTN-AVRDEDQJSA-N 445.589 0.714 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)c(O)c2)c1 769934367 SSJJBZKDKUOQPT-SFHVURJKSA-N 445.428 0.838 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 772188250 JCJBWAUYRJYJNC-UHFFFAOYSA-N 448.863 0.551 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2nnnn2C)cc1 772878467 VZYRAJGEEXQXTE-PTNGSMBKSA-N 449.475 0.223 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)cc2C)cc1C 775211791 KGASCSJCCYVBCC-UHFFFAOYSA-N 433.490 0.728 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNc2ncc(F)cn2)c1 775693535 XZERDNGAIAKUPJ-UHFFFAOYSA-N 439.473 0.851 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccc(Cl)c1 777777884 RLJPRYQDCOTNKM-UHFFFAOYSA-N 438.731 0.896 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)nc1C 778424034 KDCSXZUQLAYSOC-UHFFFAOYSA-N 440.464 0.796 50 20 ICGD O=S(=O)(CBr)NCc1ccccc1CS(=O)(=O)N1CCOCC1 782409288 SLKFCBAOLPLBII-UHFFFAOYSA-N 427.342 0.620 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1C 782925305 IFSAYYMOPFPOIH-UHFFFAOYSA-N 427.248 0.644 50 20 ICGD Cn1cc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nn1 783293878 ZRSXGDCAOFVBGH-UHFFFAOYSA-N 432.448 0.661 50 20 ICGD O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 784824392 LCVTYDQCPJKJGQ-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790070329 NYLOEVWAUILTBN-HXPMCKFVSA-N 436.440 0.356 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 794598153 ACYKLOHMHWLEPV-UHFFFAOYSA-N 425.394 0.760 50 20 ICGD CC(C)Oc1ncccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369835 MTBHWDZXXQODRE-UHFFFAOYSA-N 429.433 0.881 50 20 ICGD O=C(COC(=O)[C@@H]1COCCN1CC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 801341062 VQBUQYYMOMSLPS-LBPRGKRZSA-N 434.327 0.162 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1O)C(F)(F)F 806564294 PBFZKZBJZJIGLH-JTQLQIEISA-N 432.808 0.812 50 20 ICGD CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 807379047 RGNQGZBLIWHQFJ-LSDHHAIUSA-N 426.562 0.200 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccccc2)n1 810386921 XLUUYQASQBDWSR-LBPRGKRZSA-N 436.494 0.019 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 912919921 UDZALGQAJNHLSH-ZIAGYGMSSA-N 446.957 0.655 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNc2ccc(OC)cc2)c1 913476538 HUUGBHBJNGCKSW-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1OC 914531924 OBJVNKGQYSSBMG-HNNXBMFYSA-N 427.523 0.754 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccccc2OCc2ccncc2)c(=O)n(C)c1=O 914695188 JHRBGPJULFWTGY-UHFFFAOYSA-N 440.485 0.695 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)c(F)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 918217318 AVRVKCMJTBKNRT-UHFFFAOYSA-N 440.439 0.782 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 919809417 RLOSDYDZUKECIM-OAHLLOKOSA-N 435.506 0.933 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1116886502 TUFMVOUIMKHFRF-FQEVSTJZSA-N 433.486 0.911 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778019519 MNDAGMPZCTYHOQ-ILMHXZGMSA-N 443.298 0.799 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cccs3)CCO2)C1 1779031674 VJYGVRDUQVQKKV-YEFOHOTDSA-N 441.513 0.904 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n[nH]1 1779372699 XUDGUZGGEVICOJ-DYESRHJHSA-N 441.492 0.158 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1781326753 STWMBFBDPRTVAM-RHSMWYFYSA-N 443.273 0.332 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1783933487 LCZMPMXFPFPQRP-FQEVSTJZSA-N 426.583 0.865 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1783933589 RFUHBHSMHBWRNS-OAQYLSRUSA-N 435.500 0.356 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933607 RSHYTBBVLTUWIU-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1783940174 VEABXKZBANTTQO-QFIPXVFZSA-N 443.504 0.140 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1784513057 MUZSARTUTXZBMN-CYDGBPFRSA-N 437.356 0.656 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981907 PAISJFBEBZKCDN-FNHZYXHNSA-N 444.243 0.552 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21)c1cccc(B(O)O)c1 1786983308 MRPHOXNDBOJKPN-QRTARXTBSA-N 432.669 0.520 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984728 BLRHPTLWQVXWMI-KNBMTAEXSA-N 442.252 0.118 50 20 ICGD C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(F)(F)F 1788609887 QSSUMMZMDOMNJM-CQDKDKBSSA-N 441.410 0.397 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)C(=O)Nc1cccnc1 1788716373 NAOYAHCYQXZOMW-QEJZJMRPSA-N 439.310 0.785 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1C 1793794410 KZQGTIOGPKCIPD-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796871865 KQBYASCJJDIDJP-KYZVSKTDSA-N 436.896 0.512 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797814885 BWEYPIAAFHGXKU-GYOPHPBKSA-N 436.278 0.796 50 20 ICGD CCc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798176475 YTWTXQYBGHLNKW-IVWMJMPLSA-N 442.476 0.061 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3ccnc13)C2 1798440723 WLMNTUVAVHXCPQ-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2)[C@@H](F)Br 1799350026 PTRRKFBLOBSQQY-ZMJPVWNMSA-N 426.246 0.623 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1800976719 FGSZEHKEXUSZRW-BASYENTBSA-N 433.896 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1800977821 YSMJSOWHRLXJMB-DWTVNWJMSA-N 427.929 0.231 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCOC1 1801577058 FPZFCNYFDSRXOS-SHUMTMQLSA-N 445.520 0.527 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncccn2)[C@@H]1c1cccnc1 1805781013 SKQYLMQPLFVOED-YJBOKZPZSA-N 446.471 0.504 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369471 KYDKFWNEYSZELQ-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807712809 RTTOQBNUKQDLJG-XAJHFOFHSA-N 439.354 0.984 50 20 ICGD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811245407 KICUGKTUWIHMSE-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393586 PDIBLHIRPWAXBX-AAEUAGOBSA-N 431.276 0.434 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1813034851 YZSKVDWPDHPJJL-VYDXJSESSA-N 441.985 0.825 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814874031 XNDFASDIKMHBNZ-KBPBESRZSA-N 435.872 0.314 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815235657 VNDHDJFKMZCWGC-KRWDZBQOSA-N 441.297 0.310 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)on1 1815339670 MCHABMBNPLDHLX-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)[C@@H]1SC(=N)NC1=O 1817246046 YSVAPIFSHBSEID-QJSROADHSA-N 445.954 0.457 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819709467 JGNNSULFZXRJGU-RHSMWYFYSA-N 443.334 0.622 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(O)nc2O)[nH]n1 1822414018 KRNGKFYDEGNQNS-ZDUSSCGKSA-N 446.468 0.290 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317774 PYHHBRAZXZYIFT-FQEVSTJZSA-N 436.321 0.632 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830540596 QQTULMALQIBJBG-PMUMKWKESA-N 446.342 0.165 50 20 ICGD Cc1ccc2oc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2n1 1830723549 PMRVRBKBKSKWOE-YWZLYKJASA-N 437.880 0.806 50 20 ICGD N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(Cl)c1 1830733973 XJXFPIVPFKUEGH-LPHOPBHVSA-N 442.299 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854208 FNBWTEOAGUDRNF-PXNSSMCTSA-N 443.903 0.864 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410300 GKABENGKLHBMTR-SJKOYZFVSA-N 445.314 0.369 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834819695 YNAIMQHFPVXESR-QGZVFWFLSA-N 443.298 0.467 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836414531 PPACSUITPXIHLO-CQSZACIVSA-N 437.310 0.605 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718567 SYTLLNQYFWNXQJ-INIZCTEOSA-N 440.884 0.387 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1839269979 YNHVOVGNMRLBKL-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839715761 VMYZBGRZVKAIEI-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1840150526 NGWUNWWYOOQUOW-OXQOHEQNSA-N 441.912 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1840183879 GIKCTPLDOYGUIZ-HXUWFJFHSA-N 438.550 0.120 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)cnc2O)C1 1840984761 GYZBZMOPJRMWQJ-UHFFFAOYSA-N 430.852 0.570 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348495 UUKKYKTXWJEFAF-KBPBESRZSA-N 429.901 0.368 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1846363416 HOCABQFBIPHOPZ-KKUMJFAQSA-N 445.944 0.671 50 20 ICGD CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9889987 WEGKBICCKMRIHJ-UHFFFAOYSA-N 446.485 0.926 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 25433817 IPWNGWXQFMYBRK-KKSFZXQISA-N 442.403 0.580 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 727146598 WNZINIJALHGYRD-UONOGXRCSA-N 426.495 0.770 50 20 ICGD O=C(NNC(=O)c1csc2cncn12)c1cccc(S(=O)(=O)N2CCOCC2)c1 733908470 GWACFOIPOFFDQE-UHFFFAOYSA-N 435.487 0.492 50 20 ICGD O=C(COC(=O)c1cc(N2CCNC2=O)ccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1 738688077 FARBOEJOUVODCA-UHFFFAOYSA-N 445.363 0.882 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cccc(I)c1 739668874 WPDPQPOFGAIDMD-UHFFFAOYSA-N 449.226 0.624 50 20 ICGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 740102437 JRFAXRBOXDTKBL-AWEZNQCLSA-N 435.466 0.747 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 741207789 QYRBFISCBZJJAC-LJQANCHMSA-N 446.529 0.599 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 747331091 TZFZFBSBVQABSI-JTQLQIEISA-N 430.845 0.406 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)n1 747348691 VFFRNVBODZLZBA-UHFFFAOYSA-N 444.311 0.679 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc([N+](=O)[O-])c1 751206183 GBXLNKJSASHDRJ-UHFFFAOYSA-N 426.432 0.251 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 751290431 LPTDZBKFXXORKX-UHFFFAOYSA-N 435.477 0.896 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1=O 753020179 OGNYEXVQUXOIST-YUNKPMOVSA-N 427.465 0.167 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1 754519278 DZMYKHFNHGSRLY-LJQANCHMSA-N 445.457 0.053 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 755552171 ZGOACPPVTOBHJB-UHFFFAOYSA-N 438.400 0.705 50 20 ICGD C[C@@H](C[C@@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760196569 YWTMVJQAXYYGSR-GJZGRUSLSA-N 426.543 0.459 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 762370286 JFXNOFXRKTWILV-UHFFFAOYSA-N 437.499 0.508 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1S(=O)(=O)N1CCCCC1 763487975 ICDREMTUNOPOTK-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1)NC1CC1 763733868 HJCCTNCMTWCGAD-UHFFFAOYSA-N 428.493 0.464 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cccc1-n1cnnn1 763865508 KRSKZSVIGQPQJK-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763916206 CXMISZOYBYRGSE-XGICHPGQSA-N 449.427 0.638 50 20 ICGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C)c1 764002405 MCCJVAMJCYIEND-CQSZACIVSA-N 433.490 0.318 50 20 ICGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 764319257 NKLDXNQCHGELGM-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 764397783 MZIWQQDUUIDWOR-LLVKDONJSA-N 441.506 0.941 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 765313377 LQKGKKODPROMNY-UHFFFAOYSA-N 439.494 0.804 50 20 ICGD COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cnc1Cl 767850830 MWBMJCKPOCYUOB-UHFFFAOYSA-N 448.748 0.732 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)nc21 770348457 HKYGAUBLHRBKJD-UHFFFAOYSA-N 430.444 0.995 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 772195614 AQLDOKGZZGKREL-UHFFFAOYSA-N 443.847 0.469 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 772999582 RXEDXCVUYBJQFQ-MNOVXSKESA-N 429.886 0.355 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)NC1CCCCC1 777831714 IBWULJMVXXEMIA-UHFFFAOYSA-N 425.349 0.445 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cnc(Cl)c1Br 783426664 JAQWLQIVZXYOBV-ZDUSSCGKSA-N 439.719 0.942 50 20 ICGD CCCC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1C 784002863 VKFOELVPNDDNRF-UHFFFAOYSA-N 429.433 0.843 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)CC2)n[nH]1 784060574 GDOQKUNXSQIXNY-UHFFFAOYSA-N 448.553 0.933 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 792847783 ATABVKQNIMLOHL-HOTGVXAUSA-N 445.563 0.250 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 795285330 DWQLVICQGOZCIM-UHFFFAOYSA-N 448.501 0.628 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)ccc21 802106609 MJIISWVBBKJXOI-UHFFFAOYSA-N 439.428 0.907 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 802120030 IHUZKEBEWGSCHK-IBGZPJMESA-N 432.481 0.521 50 20 ICGD COc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1C 802348305 AQDSCISTWXMHDC-AWEZNQCLSA-N 429.433 0.850 50 20 ICGD CC[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@H](C)S1(=O)=O 804867904 OALIBPCIHGWMLG-NWDGAFQWSA-N 431.540 0.232 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CCN(C(=O)OC(C)(C)C)C1 809981340 HPADXFKDVRLJDR-MRUHUIDDSA-N 442.557 0.907 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)c(OCC(F)F)c1 810384796 PYSJNYRKVOBPDS-UHFFFAOYSA-N 426.401 0.820 50 20 ICGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 810408419 GFLGFLVSCLFXIA-UHFFFAOYSA-N 436.371 0.986 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C2=O 812729644 SEFBJARVGMUEJK-YJYMSZOUSA-N 437.522 0.881 50 20 ICGD COCC1(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CCOCC1 813772527 JRXXWMKTIRWJIH-UHFFFAOYSA-N 427.527 0.675 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1=O 815157402 POABQLJPZZYYME-FQEVSTJZSA-N 434.500 0.746 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OCC(F)(F)F 815691614 VXVCYFIWMQXCQE-JTQLQIEISA-N 426.355 0.568 50 20 ICGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(Cl)c1 815693314 SOGXBXRCWIOFFG-JTQLQIEISA-N 434.840 0.375 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1CCc2nncn2C1 816871827 VAFHRIUGYHJGHZ-ZDUSSCGKSA-N 449.489 0.013 50 20 ICGD O=C(NCc1ccc(Cn2cncn2)cc1)NNC(=O)c1csc(N2CCOCC2)n1 838655602 HGAYWTBMBVOARW-UHFFFAOYSA-N 442.505 0.764 50 20 ICGD COCCOc1ncccc1CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 916510126 ARMNXLNCFJWRQN-UHFFFAOYSA-N 436.494 0.544 50 20 ICGD COC(=O)C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)C(=O)OC 919698483 DKRCYSCHLRUUNS-AWEZNQCLSA-N 428.445 0.878 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779825229 UDPYVRDLVKULIF-OAQYLSRUSA-N 442.451 0.285 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1781227543 BAZYYUGKKPQGND-SJORKVTESA-N 431.276 0.855 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332111 UGIQEFUKTFOMJA-NHYWBVRUSA-N 431.218 0.309 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(F)c1 1781492475 CCWKFLJSVTZEHM-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782114971 VSFRUINFVXSWFR-LAUBAEHRSA-N 446.891 0.892 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1783793105 VAJWLHXHPZBEKU-XMMPIXPASA-N 448.328 0.932 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784095862 MXCVAJCSWPCJEE-KANFNMMFSA-N 440.924 0.791 50 20 ICGD CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N(CC)CC 1784627340 LNEWITSYXNCCGF-VMXMFDLUSA-N 445.369 0.080 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986636 SPYYPYNOLHMFCQ-LCNLMQJVSA-N 448.328 0.763 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1c(F)cccc1F 1789442117 BRESMRZTHFIOSR-QOKNQOGYSA-N 444.243 0.552 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1791056838 FOJIDSUTBVGCBX-IMIFBBOLSA-N 439.310 0.557 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1791254126 NTDKQDYWKNGGOS-QAETUUGQSA-N 435.912 0.505 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1792871289 UGSXDKRUISKBBD-OEYIWLLWSA-N 436.310 0.964 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNc1ccc(F)cc1 1795543699 KHANDDAHXVMKPZ-USGNIVHTSA-N 435.500 0.200 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccco2)no1 1796129601 WHCKYEVUDZPTFJ-VTEUUUEMSA-N 445.476 0.511 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405751 PLRDGTSQNXXVJU-LMLFDSFASA-N 430.259 0.695 50 20 ICGD Cc1ccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2c1 1796896406 RBINAXGKQSIWSU-OPMZPASUSA-N 447.300 0.673 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797661089 ZJAMLKCYBMWQGQ-XMUUXPIISA-N 433.892 0.866 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ncccn2n1 1798034615 HUOSSCAWMGVWPG-BTTYYORXSA-N 434.460 0.293 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352292 OFHWNUYQERSOKI-VZAMPYOESA-N 431.306 0.860 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802661543 ZBMNPCODHURMBC-OXJNMPFZSA-N 440.504 0.825 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359994 NYFUFZYPWINFSW-SXLOBPIMSA-N 425.294 0.098 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807367183 JRBAUSPGPHQTEV-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1)[C@H](F)Br 1808662709 QLDLCABNAKOZAW-UBHSHLNASA-N 426.250 0.465 50 20 ICGD CN1CCC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1820723671 PXBWWYKKWKROCH-QFBILLFUSA-N 439.325 0.737 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824653140 HNDLEXKHJDZOHV-LJQANCHMSA-N 438.293 0.409 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1828243974 XMIVVXGDIPCCQB-VXNVDRBHSA-N 448.979 0.515 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830534543 BFTNPLYBISVYTH-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830722554 CZLXZHDLIGVIJH-FXAWDEMLSA-N 426.897 0.294 50 20 ICGD O=C(Cc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833168970 MKKYMHBDXRQLCA-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n[nH]1 1833308215 LKNISVVBLIETMA-QGZVFWFLSA-N 425.917 0.397 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833457387 NKHZTHVNKRVLPF-OXQOHEQNSA-N 442.944 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3)CC2)CC1 1834135336 LWTVFNYXPBLCNA-UHFFFAOYSA-N 430.553 0.640 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801328 YFATUPKMRUKJCR-WAIKUNEKSA-N 427.354 0.598 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837641599 UGYXQEKIOWWELH-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1838835580 OTPCXBOGVASTEG-CJNGLKHVSA-N 449.277 0.189 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839146324 NPJHZYDZMWOZSV-MEBBXXQBSA-N 439.822 0.911 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839201518 ZXCCCVFTLONICH-BBRMVZONSA-N 431.262 0.546 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839963437 KBFPOYRSNCQHFJ-NHYWBVRUSA-N 437.360 0.243 50 20 ICGD CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1)N(CC)CC 1840150298 IBQHHLXRWSMCED-HLIPFELVSA-N 433.977 0.817 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1840153063 BNJMZLIFFDYXFU-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1840153335 KXAOYORISSUPJR-OXQOHEQNSA-N 441.912 0.722 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840154885 JBLQQSQMKWLEAL-VLIAUNLRSA-N 436.896 0.887 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccn1 1840184885 HEKDZJKBMRAKET-VGOFRKELSA-N 447.536 0.015 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941037 RJFNSQNLXOGYHT-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(O)nc3ccccc23)C1 1843690637 QWZNGHCJZLTWER-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c2c1 1844265140 XURZTHHRSVNYMF-UHFFFAOYSA-N 444.455 0.564 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1cnc2sccc2c1=O 15314798 RGKZFHLJALBJBJ-UHFFFAOYSA-N 440.529 0.818 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 725741821 VTWWEEZVHWKQKD-UHFFFAOYSA-N 449.420 0.739 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(c2ccc3cccc(O)c3n2)CC1 728204067 SAMKNQNCVVNUFL-OAHLLOKOSA-N 432.502 0.739 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NOCc1ccccc1 728753176 YPFJEJPMCAXRPN-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733348237 KILATOHXZSLXTA-MRXNPFEDSA-N 427.509 0.759 50 20 ICGD NS(=O)(=O)c1ccc(F)c(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 734529721 AHNJFOCXJQKGFS-UHFFFAOYSA-N 432.437 0.803 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)COCc1ccccc1 737638566 ZWZUDYOPPTUSEL-UHFFFAOYSA-N 429.477 0.624 50 20 ICGD O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742516045 XNUBOLGDHVWKSU-QZCPTFHJSA-N 440.481 0.662 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 744922693 RZEOGFIENSZEFV-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746386270 MYSMFPBHIGGGGG-OAHLLOKOSA-N 435.550 0.584 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746700914 CSDGVZUJIXJQPX-UHFFFAOYSA-N 429.458 0.205 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 751201324 HPCRLVMXPWVUKP-GFCCVEGCSA-N 440.503 0.462 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751201388 JBOWPAOQOAMBFP-SNVBAGLBSA-N 433.352 0.257 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 754534874 BNIWICAHVSJFKO-YTBHAWNYSA-N 433.486 0.174 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 756658074 GMVDHUNBBJIYNH-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD O=C(Cn1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1)NC1CC1 756794758 BDIMWAUBNRMVAJ-UHFFFAOYSA-N 427.469 0.021 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(OC)ccc1Br 758214601 IMXKVVTYVXNEJZ-UHFFFAOYSA-N 438.300 0.175 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758818940 BNOMAHUYMHOTKY-NSHDSACASA-N 446.445 0.004 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)n1 759180394 ISTLIHLKPWHORH-UHFFFAOYSA-N 426.476 0.370 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c2ccccc2c1=O 760203437 LPWMOLLWCLCEBG-SWLSCSKDSA-N 430.465 0.174 50 20 ICGD CC(=O)N1C[C@@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)Oc2ccccc21 762193435 JMHQAWHYWZWFGP-HNNXBMFYSA-N 432.458 0.499 50 20 ICGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 762381072 BXRUVWQCQKELNR-HNNXBMFYSA-N 437.522 0.426 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763577137 GZNKSVCKGFAWEX-MRXNPFEDSA-N 448.457 0.374 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763848997 GUGWCUIGYSGRAK-GFCCVEGCSA-N 429.408 0.909 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1=O 763873827 WXPMZEWUEVSWSW-GFCCVEGCSA-N 448.407 0.104 50 20 ICGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921705 UUROIMBNEFVWEL-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1S(=O)(=O)NC1CC1 764265031 XSZSEBUDLHTQBL-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD CCN(CC)c1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 764265671 FELRPOOBNFLLFQ-UHFFFAOYSA-N 440.508 0.720 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 764309629 RZOBRSRNAIXFES-UHFFFAOYSA-N 432.502 0.800 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC 766957965 UNFLQQDUOBLCBM-DLBZAZTESA-N 431.493 0.786 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 770460477 JIIPKDHYEAHTMW-CYBMUJFWSA-N 447.945 0.015 50 20 ICGD CSC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 770988813 BGZSUFJMKTUBPI-CKYFFXLPSA-N 433.494 0.419 50 20 ICGD CC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 772388864 PWAOCMRRLXYUGJ-UHFFFAOYSA-N 448.501 0.558 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c1 773073505 UTADMJHHNSTEDM-NTMALXAHSA-N 431.474 0.781 50 20 ICGD Cc1nn(C)c(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 776213689 QFSRATRMYSURME-UHFFFAOYSA-N 425.446 0.886 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)N1CCc2ccc(Br)cc21 784004182 KBMAWBGNIHHJDL-UHFFFAOYSA-N 435.234 0.509 50 20 ICGD O=C(NNc1ccc(F)cc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784779417 KQFSMHSXVZCVAZ-GOSISDBHSA-N 428.420 0.922 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2)o1 793032444 KZKPWCNLCDEJLK-UHFFFAOYSA-N 431.474 0.936 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)n1 793228835 SNTCPGALYGTUHI-UHFFFAOYSA-N 432.506 0.938 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 793681697 JPBYAGSAHGKCRG-JYAVMLNFSA-N 434.540 0.986 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cnn(C)c1 795956794 GWPUZZKRRHOTBZ-OAHLLOKOSA-N 434.453 0.499 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C 797355687 UDJNTFLYSXEOTE-NSHDSACASA-N 437.840 0.571 50 20 ICGD CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 804535264 JUAUAJWBFNGPNF-INIZCTEOSA-N 448.453 0.624 50 20 ICGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 811675612 KAWDGGFTCUCMMJ-UHFFFAOYSA-N 431.426 0.666 50 20 ICGD CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(CO)on1 812221737 GTKHZYLNGOVAHP-UHFFFAOYSA-N 436.490 0.661 50 20 ICGD COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 814270749 QXBFEQVDPYQEED-NRFANRHFSA-N 435.444 0.833 50 20 ICGD Cn1c(=O)n(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 818686095 ZFORYCXFEUJCPX-UHFFFAOYSA-N 427.373 0.253 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 914459027 XLTGPNZUAUKJMC-UHFFFAOYSA-N 432.418 0.796 50 20 ICGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 914781903 VRHFNSCNSSWIIC-UHFFFAOYSA-N 437.456 0.913 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779035443 HJAPDWPPOKILDL-WAIKUNEKSA-N 437.500 0.932 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1779293972 INVJFPPJVAOCHB-HXUWFJFHSA-N 434.569 0.493 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779488636 CADIOCRJOUQAFE-JXXFODFXSA-N 438.912 0.788 50 20 ICGD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780005097 JYQRXSQXJJTKFI-JTSKRJEESA-N 445.903 0.687 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)CCBr)CCO4)C3)CC2)CC1 1781107746 WXWXOCJTKYZWEQ-SFHVURJKSA-N 443.386 0.381 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1781900497 RGWWZJVDDPNPOA-UYAYXHRUSA-N 448.358 0.737 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782178660 CIMBLULUMZWRBN-PMUMKWKESA-N 434.990 0.238 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2)C(Cl)Cl 1782215141 YWEIFNBGLOMDKG-KZULUSFZSA-N 432.304 0.619 50 20 ICGD O=C(COc1ccc(O)nn1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782677279 XOYORLWRVYHWTJ-DZGCQCFKSA-N 433.234 0.081 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1783873801 UROGOKVQLUBJIB-KSSFIOAISA-N 445.925 0.182 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC3CCC3)[C@H]2C1 1784303889 YIDDEXRSUBAIGS-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784607653 LOGOFGOSXKHYFR-XPSVRQCTSA-N 433.509 0.383 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519583 SOKCEZSLUATQFF-XWUBHJNHSA-N 439.310 0.557 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)c1 1785587132 AGRNNVAMXGVKJM-HJPIBITLSA-N 433.889 0.613 50 20 ICGD O=C(CCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786684039 UWZLPCXAJYTPTO-BPUTZDHNSA-N 428.216 0.302 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1791057957 MTJPYYHSBCTIGF-OSFYFWSMSA-N 442.310 0.773 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1791257282 WZCYINQSHGCWAI-HNKHHVNMSA-N 426.901 0.348 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791493782 QUWNMHYRTXWTCO-UMGGQSCQSA-N 445.564 0.613 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1792336624 VXYWTZLOYRGOBG-XQLPTFJDSA-N 445.944 0.623 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793107764 WPSQSYJOCCLMDP-KUCCMMOJSA-N 443.928 0.803 50 20 ICGD Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cs1 1794349871 YKNHITAQBBMMCF-YOWGUQMCSA-N 428.518 0.945 50 20 ICGD Cc1nc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751537 FBNDMWPDHAXCAB-IVWMJMPLSA-N 442.451 0.045 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799047414 FSTGJFWAAMAJHF-VKPHEEHNSA-N 441.887 0.133 50 20 ICGD COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1OC 1799500795 LMVJLVWOKWOMHZ-BJWYYQGGSA-N 439.277 0.344 50 20 ICGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801010709 RDYPFBKEVZVHMG-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2 1801010826 XJJNKZZZOUVWRK-VPTLXERWSA-N 435.500 0.116 50 20 ICGD CCCNC(=O)CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805878263 AUGZDGBIUGGHGA-UHFFFAOYSA-N 443.353 0.518 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371206 RCGLTTOVKLZYLZ-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303271 SUWXBORJCIASNY-BEFAXECRSA-N 448.487 0.745 50 20 ICGD C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305919 QISYAYQTFQNWPX-QEORTHHSSA-N 428.518 0.718 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074996 YNTRGWZRPCYEBO-DYESRHJHSA-N 439.520 0.873 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1813078107 NWYFQZAJJGRGSR-TYNCELHUSA-N 433.292 0.956 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813271451 GZPCDUVVKGKDCS-GCJKJVERSA-N 447.304 0.437 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1816983453 TZKOIHYNICSBLF-QRTLGDNMSA-N 429.955 0.681 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)[nH]n1 1819404315 GRGAKHORPZYEDE-WBMJQRKESA-N 427.465 0.751 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824184869 DXWVAVYOYIMBSF-DOTOQJQBSA-N 447.923 0.923 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1825993739 DWWYGHQAMGZZRA-VHSXEESVSA-N 427.914 0.917 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1830543332 PZQACRLEQLFMPB-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccnc1 1834132958 PIHSKSZBZBHFPN-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800112 QZZASWLBOHGVJO-JTSKRJEESA-N 441.381 0.988 50 20 ICGD CC(C)/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800662 WJBNVUITLKLPRR-FPYGCLRLSA-N 427.354 0.764 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834828068 XEIZDPSMSDXJGM-LJQANCHMSA-N 446.386 0.960 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873613 PMPOYYISKCAOPB-CYBMUJFWSA-N 442.362 0.276 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837082562 YPPBMSQXBCFQML-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837200810 UNLXOSFFVPZSGI-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964680 OZPBZAGWSHJCCU-FZKQIMNGSA-N 445.310 0.873 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838967826 YAMPZGLQNXVNBV-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839145819 QYDDCSVVLBIOGF-KDOFPFPSSA-N 426.857 0.262 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839737082 XZSGHSBYGFDLTE-MDKPJZGXSA-N 437.924 0.733 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840151409 AOEZDNNZFDANOG-QKLQHJQFSA-N 426.897 0.430 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840154782 GMAZKKIUOQLDRB-KXBFYZLASA-N 432.901 0.206 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840401355 VYWBNJRQPHIULM-MAUKXSAKSA-N 431.942 0.704 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840886011 MXTPGKGZNDHAAR-QGZVFWFLSA-N 425.309 0.836 50 20 ICGD O=C(c1ccc2nnc(Br)n2c1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350822 ZBAXKCHZCDIGFS-NSHDSACASA-N 442.701 0.909 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105246 PMFQLSQEBLXNFI-ZNMIVQPWSA-N 445.944 0.814 50 20 ICGD COc1ccc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)[nH]c2c1 1843692911 RUUGHDJWKVZSIK-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3cccc(F)c23)C1 1845693619 RWRKMMZSFWMCMO-UHFFFAOYSA-N 437.435 0.831 50 20 ICGD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)[C@@H](Br)Cc2ccccc2)C1 1845942243 UQAHKNSCBQZGAW-ULQDDVLXSA-N 436.350 0.919 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847565760 XFEDRDKYNMGWIK-FQKPHLNHSA-N 431.917 0.016 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(C)n2n1 15663484 NPAYGSPVPMZIQO-OAHLLOKOSA-N 428.474 0.993 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 725872085 NFPQRDOZSBEXNA-INIZCTEOSA-N 431.518 0.882 50 20 ICGD COCCn1cc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1=O 728214584 BAPYLCAGGQBFEQ-UHFFFAOYSA-N 449.533 0.188 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc(OC(F)F)c1 728487051 SCKNVIOKQMXCBD-UHFFFAOYSA-N 432.391 0.798 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2ccccc2F)cc1 731362291 BAPICGNXYPBRFF-UHFFFAOYSA-N 438.481 0.824 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 731926225 RNYNZVDFTNJDIR-UHFFFAOYSA-N 440.526 0.511 50 20 ICGD O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1 732065853 YTACAQCQEDRYJB-QLFBSQMISA-N 448.505 0.684 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 735118796 YQGFUMVBIQZTEI-CQSZACIVSA-N 438.554 0.108 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(Cl)c1 743825450 MLOMOGKIIGSNLD-LLVKDONJSA-N 441.897 0.967 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619488 QVBFIWIMWPPKTQ-HNNXBMFYSA-N 442.563 0.852 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)c1 744922060 NRJLTVPDZMBNLR-UHFFFAOYSA-N 435.458 0.416 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746636455 AVRDYJJEQIUVHX-UHFFFAOYSA-N 445.501 0.571 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1cc2ccccc2o1 750289637 VUGOCONPQQDRFJ-UHFFFAOYSA-N 433.446 0.923 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nsnc3c2)CC1 753416617 NHSCABPAVGMUEQ-UHFFFAOYSA-N 433.519 0.779 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 756643069 UTMHOPOVZYQKHP-UHFFFAOYSA-N 438.463 0.715 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c2ccccc2c1=O 756796450 PHVFYOHVHGKDSC-UHFFFAOYSA-N 438.448 0.358 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 756851899 WMNQKOIXXLBEAN-NSHDSACASA-N 425.442 0.890 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 760576845 MRZIISNQDCKTLY-QGZVFWFLSA-N 438.937 0.986 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1-n1cnnn1 763669695 YRMCPLDDCJHIIY-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)c1 763680921 RUWJKPZGSDHHMJ-UHFFFAOYSA-N 440.412 0.583 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 763822265 XMJWHSOGWQMIGS-UHFFFAOYSA-N 438.440 0.809 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1S(=O)(=O)N1CCCCC1 764142158 MQFQJWTWSDOJGG-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764267295 RMURZYQSOYFQJO-UHFFFAOYSA-N 433.490 0.952 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764354192 NBPWFYGWBXVZPZ-UHFFFAOYSA-N 440.504 0.561 50 20 ICGD C/C(=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 765727018 ILKWSSRJYFGBNX-FLIBITNWSA-N 430.852 0.338 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3c(C)noc3C)CC2)cc1 765732623 QBHQGOVAAUPESU-UHFFFAOYSA-N 449.533 0.296 50 20 ICGD O=Cc1ccc(OCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 766636535 PPHFQNRRURBNOW-UHFFFAOYSA-N 438.484 0.873 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 766669201 OIZOXOUXMDPXSE-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc(CN2C(=O)CNC2=O)c1 767277982 VHEMPJJNGKJAFG-UHFFFAOYSA-N 438.440 0.594 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 767737946 VGRUCJYNIJFBOX-UHFFFAOYSA-N 449.894 0.628 50 20 ICGD C[C@H]1CC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C[C@H](C)O1 768122624 USYKNKFMVCGVDZ-KBPBESRZSA-N 426.543 0.600 50 20 ICGD CC(=O)CCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 768233127 VOSDPEMZCPAQLT-UHFFFAOYSA-N 425.507 0.547 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770644043 LWINRXMQEADUHA-GFCCVEGCSA-N 433.556 0.013 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 772999587 RXEDXCVUYBJQFQ-WDEREUQCSA-N 429.886 0.355 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCO3)ccc1Cl 777910941 HHUYUJCAPVVSDK-UHFFFAOYSA-N 433.851 0.339 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 778293335 XFBTVVMHVABILT-UHFFFAOYSA-N 444.521 0.980 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782552786 JUTKRUGHJITSSA-SECBINFHSA-N 429.398 0.144 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 787430006 XVZPCCSCGGKJBS-UHFFFAOYSA-N 429.872 0.920 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1N1CCNC1=O 787541388 QLZLMXYDNFRSPO-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 788873238 DUKUKWBNUJIMIQ-UHFFFAOYSA-N 445.509 0.010 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)s2)cn1 794576220 HHUKNHZGTPRSTK-UHFFFAOYSA-N 440.322 0.932 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 794719099 HTZANXDMHXRYOK-UHFFFAOYSA-N 440.547 0.873 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795178262 WZUFQELEXIVFAW-UHFFFAOYSA-N 436.515 0.605 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 800353196 QWAZLBWMUVJMCJ-BUXKBTBVSA-N 437.474 0.462 50 20 ICGD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 801946548 PHTZMFNPIXULLX-UHFFFAOYSA-N 425.236 0.756 50 20 ICGD COc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1F 802340335 IMDATFVVSOAEMS-LBPRGKRZSA-N 433.396 0.681 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2cc(Br)cn2)c1 805837336 COGMHJUAQQKLQR-UHFFFAOYSA-N 430.284 0.693 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccc(Br)nc2)ccc1F 807012959 ZNFSSNDFCKYGFK-UHFFFAOYSA-N 446.258 0.973 50 20 ICGD Cn1nnc(Br)c1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 811452044 SKCMZIZCLKISLR-UHFFFAOYSA-N 427.171 0.104 50 20 ICGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812445790 ZNMOIRYJZHGARC-HZPDHXFCSA-N 441.550 0.706 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cn2)CC1 815559169 ZIQJULLOARPVSE-UHFFFAOYSA-N 443.420 0.960 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)nnn1Cc1ccccc1F 815564979 ZCDYJVWVRDEBIX-UHFFFAOYSA-N 440.391 0.902 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052432 AWFKHRQVAJVYQY-CQSZACIVSA-N 444.510 0.836 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1C 915141912 QFRWKLHYOVDXKJ-AWEZNQCLSA-N 434.474 0.553 50 20 ICGD O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915635854 ZFWXTAQHPNLFOY-MRXNPFEDSA-N 441.506 0.054 50 20 ICGD CCNC(=O)COc1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1OC 916388883 LDQRPPZUDDJYHK-SFHVURJKSA-N 428.511 0.091 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 917717011 JMHRGPBKMXMGAD-OAHLLOKOSA-N 426.472 0.548 50 20 ICGD C[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])C1 919886454 TVMOSPWLWQUNIK-OCCSQVGLSA-N 439.494 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777713017 IWHYIDKBVKAHEP-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1779037557 CMUQXHTWTBTJFW-HOTGVXAUSA-N 425.382 0.537 50 20 ICGD CCC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1781723827 KTQOWHQVOZDYLL-XGHYCODVSA-N 431.493 0.613 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782636891 VRIJZTKUZAJXBI-HOCLYGCPSA-N 431.262 0.635 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740794 LMTRMIURHJWPHI-DOMZBBRYSA-N 425.345 0.282 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785523865 BRADQRSRXNPBTF-QAPCUYQASA-N 429.832 0.706 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(=O)N3)CCC2)cc1 1789522520 IOMKEFOBYWGBSP-KRWDZBQOSA-N 436.472 0.711 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1791065279 SWBUQFMWMCOUJG-ABHRYQDASA-N 426.311 0.971 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1792784185 CKYACYOSRJIFRG-YWVIFJGQSA-N 443.953 0.953 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1792868865 TVIKJYBMVCEMPF-JVWRJRKNSA-N 431.249 0.920 50 20 ICGD CN(C)c1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)o1 1794946068 ZXESLGHVGVCZEX-CLLJXQQHSA-N 427.465 0.305 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cn[nH]c2cn1 1798260404 DURCMMFUBWJPFS-BTTYYORXSA-N 434.460 0.522 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)ccc1F 1798791181 DKQKUTFTLCPGOO-HBCWATKFSA-N 430.216 0.162 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1799218162 ZUOJPCPUDZYGPQ-CLLJXQQHSA-N 432.437 0.255 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC12CCCN1CCC2)c1cccc(B(O)O)c1 1799997740 BVXMDAQMDPMLMK-ACDBMABISA-N 425.338 0.637 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800640298 QAVKXDHOWMMOQG-HPCHECBXSA-N 439.372 0.430 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805650628 FEWXFJDUPVPNPF-XLIONFOSSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369109 AYOIVEOAGWZPAU-NQIIRXRSSA-N 446.272 0.028 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1808296474 QZGHXRLVTAETKO-MVWRLGRASA-N 444.363 0.917 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813333691 FMILMMWRVFUMTL-VGOFRKELSA-N 442.520 1.000 50 20 ICGD Cc1nocc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339575 HUKIGGNOFBITIK-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468013 ALULLFQBVQGWMZ-MFKMUULPSA-N 448.871 0.700 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794785 CXKVGSHOOLUWMZ-USBNGQNGSA-N 445.549 0.741 50 20 ICGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN)[nH]n1)NC(=O)NCc1ccccc1 1820711597 UBMLMQDTRBIQKQ-QGZVFWFLSA-N 442.524 0.707 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822371222 ZNADTBXHVHNTPG-SKDRFNHKSA-N 449.859 0.095 50 20 ICGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1)C(=O)O 1823003940 OGPINQHFXWWKMF-HLEGCSNESA-N 437.291 0.808 50 20 ICGD CC(C)(C)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054718 ICBYIOWVRSJKFR-FQEVSTJZSA-N 429.370 0.988 50 20 ICGD Cn1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)cn1 1828925955 UZSCCOBQEVMNPC-LJQANCHMSA-N 439.520 0.966 50 20 ICGD O=C(c1cccc2c1OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728482 UJWCHOGPYPCTBC-FOIQADDNSA-N 440.880 0.128 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1831457230 FNJVBQVVACVUCE-LJQANCHMSA-N 442.321 0.553 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832561412 QXXJDXTXQIKMBL-APWZRJJASA-N 429.901 0.544 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1)[C@@H](O)CCl 1833310699 YSGKUEDRMQTVGG-INIZCTEOSA-N 430.933 0.000 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312518 PVKAXCXCWOQKQY-WMLDXEAASA-N 430.977 0.463 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)nn1C 1834175997 YZHXYOHHDULGNL-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834417942 ZRBIHTBLVQDJSZ-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836411017 XSFXMFUCMRSHAA-INIZCTEOSA-N 434.375 0.740 50 20 ICGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1836714901 BWPQWMWQDLOXBQ-INIZCTEOSA-N 440.928 0.599 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837200812 UNLXOSFFVPZSGI-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268546 DZEIAHWSYZJQQV-FZKQIMNGSA-N 428.921 0.183 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926275 INSSYWARCFUIFO-BZNIZROVSA-N 447.717 0.983 50 20 ICGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838722792 TXNHSQPBSGYMLJ-INIZCTEOSA-N 449.017 0.723 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839155208 OCYKMUYUUYDLIT-KKXDTOCCSA-N 436.336 0.205 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1839963799 WQCZUADPNLZOPY-WMLDXEAASA-N 437.331 0.279 50 20 ICGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)[nH]c1C 1840186225 HFQNHTKZQOHHID-QGZVFWFLSA-N 433.292 0.260 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3ncncc3c1)C2 1844264343 IXDQJNVZVODAPE-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1845168444 GUELHBRFOWFYSX-OLZOCXBDSA-N 430.933 0.976 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nc(-c3ccncc3)no2)c1 110329046 QTKSQIAENQRNBQ-UHFFFAOYSA-N 447.477 0.467 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(CCCOC)CC2)c2ccccc2c1=O 727030907 DMHONRVJPOAQPW-UHFFFAOYSA-N 430.509 0.861 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4sccn4c3=O)cc2)CC1 728213092 FFJWYNBSMMYFMR-UHFFFAOYSA-N 448.530 0.449 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1Br 732035889 NYBNTJFAZBIESF-CYBMUJFWSA-N 441.282 0.346 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732262046 IDMOGACNZCCMTJ-GASCZTMLSA-N 438.550 0.696 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 732304560 ZUSVWHRCBULFNC-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 733732069 VUKLDDGXCGFTQL-AWEZNQCLSA-N 437.547 0.948 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc3ccccc3n2)CC1 735117644 ZXYIEBBWHIASGV-UHFFFAOYSA-N 427.490 0.718 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc(OC)c1OC 741144282 PGQBWXNDCPADCF-AWEZNQCLSA-N 441.440 0.992 50 20 ICGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 744827255 GBUDZFOOZRZQPP-MRXNPFEDSA-N 436.490 0.433 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1 748247286 XCFGWJTWXOTGCJ-HUUCEWRRSA-N 436.534 0.737 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1C 751386234 WOKFKWRYOANYCP-NSHDSACASA-N 439.266 0.943 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccccc3OC)C2)nc1 753281663 ZCBHBHVKORWKBK-UHFFFAOYSA-N 443.460 0.865 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c(OC)c1 756392325 NTSINORVPUJJJC-UHFFFAOYSA-N 429.433 0.776 50 20 ICGD CCn1cc(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 758043259 LNQIPNSLVWWWKL-UHFFFAOYSA-N 433.490 0.722 50 20 ICGD O=C(COC(=O)c1ccnc(OCC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 758631236 PJLHKWPELDBGON-CQSZACIVSA-N 437.355 0.870 50 20 ICGD C[S@@](=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763808780 QNUBCPKYJBLUGQ-SSEXGKCCSA-N 434.430 0.638 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1 764114869 GLXSILROSRKELQ-FMCGGJTJSA-N 449.411 0.538 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c(OC)c1 764286531 LELIOGSCBBIAOH-UHFFFAOYSA-N 427.417 0.847 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764369955 KDWXUFHELIKLHH-UHFFFAOYSA-N 437.355 0.996 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cccc3nonc23)c2ccccc2c1=O 765032109 ZTIDIKUBJUXZGZ-UHFFFAOYSA-N 428.430 0.966 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]1 765591798 BGZWPCRGAPAHMF-HXUWFJFHSA-N 426.433 0.567 50 20 ICGD CCOc1ccnc(N2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 767943408 MVOSOSIDDOSNMZ-UHFFFAOYSA-N 431.453 0.151 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771607671 PUZOTJLKMRHWKO-UHFFFAOYSA-N 427.866 0.983 50 20 ICGD CS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771609220 XBICGWDCNNKXSW-UHFFFAOYSA-N 445.906 0.369 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 771994902 UFXREFYMUOOKCX-GFCCVEGCSA-N 431.467 0.039 50 20 ICGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 777167830 VHTNOGYZFKNVRH-UHFFFAOYSA-N 435.481 0.375 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777940417 KVPWWQNUDUZDEF-UHFFFAOYSA-N 428.389 0.857 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 778592201 HNJXHFCGJYVECU-UHFFFAOYSA-N 426.474 0.096 50 20 ICGD Cn1cc(-c2nc([C@H]3COCCN3CC(=O)NNC(=O)c3ccccc3Cl)no2)cn1 779844857 SQJUKUNLRNHOBL-OAHLLOKOSA-N 445.867 0.958 50 20 ICGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2)C[C@@H](C)O1 783427787 QGAOSEKROBYCLU-MDOVXXIYSA-N 438.550 0.432 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 784003567 IWXFBFRGQYUHRV-UHFFFAOYSA-N 436.318 0.960 50 20 ICGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 793207769 QSJPXLSALAQPOF-UHFFFAOYSA-N 449.489 0.399 50 20 ICGD O=C(NC1CCC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1)C1CC1 793776267 ZPJMNEAEZCIFEA-UHFFFAOYSA-N 436.372 0.898 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2c(S)nc3ccccc3c2=O)cc1 802066784 ZHQQEPWQGAPNSC-UHFFFAOYSA-N 447.498 0.942 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 807082195 NHKJCLRVOQGIOO-UHFFFAOYSA-N 428.405 0.017 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 810345915 VVJKIWKLDZKYHO-VIFPVBQESA-N 432.296 0.135 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1OC 816827816 GKCFJRWUESLKQI-UHFFFAOYSA-N 445.480 0.553 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccc(C#N)cc3)C2=O)cc1 864017171 WBUKSEAKQFPGGG-JOCHJYFZSA-N 435.440 0.860 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914831725 RAMVYFNQODQKCH-KBPBESRZSA-N 425.532 0.270 50 20 ICGD COCCS(=O)(=O)CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 915638405 PHGOKZUWMMBKHM-UHFFFAOYSA-N 443.485 0.757 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCC1CC1)N(S(C)(=O)=O)CC2 916249456 PBEBVMWBNAWNAS-HNNXBMFYSA-N 440.522 0.693 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@H](C)O1 916250065 UYSUPRDMVYVXHE-KBPBESRZSA-N 426.543 0.423 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Cl)nc1 918601358 YIBBEBMEFKBVKR-UHFFFAOYSA-N 442.856 0.970 50 20 ICGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919954779 TVRGULVRVWFQJJ-UHFFFAOYSA-N 435.487 0.512 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)NCCc2cccs2)c1 920832832 FEEZAHPIQGPLMM-UHFFFAOYSA-N 432.549 0.734 50 20 ICGD Cc1cc(C)nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030216 KGHTWFBRMUJOGN-JOCHJYFZSA-N 438.488 0.454 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1779297206 WAJHAYRFLXOLDP-HXUWFJFHSA-N 449.584 0.312 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1782179871 NUXLXBJLJTWYDS-WTVLQJKYSA-N 434.917 0.370 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233756 PPCWKSJOIAXPKO-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783347628 NHZHCPVWGZPRES-BONVTDFDSA-N 430.259 0.935 50 20 ICGD Cc1c(F)cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783733189 VLRXBAIFBDUNBH-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783877131 GINLDCYVOTXNNM-RELCYYESSA-N 439.896 0.536 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1783934221 BKVJCLWMKPYQQL-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934884 JKDOCISZAMRFNU-HXUWFJFHSA-N 435.550 0.620 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)N1CSCSC1 1784091394 RWUCKCQNUKYLNH-YTFOTSKYSA-N 438.015 0.609 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786980937 FZYSWGMEOUUDFF-QSFXBCCZSA-N 426.253 0.413 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981156 VVPAZWLFGWYXHR-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)s3)C[C@@H]21)c1cccc(B(O)O)c1 1786984427 FWAOSGVLYWSHSN-BPUTZDHNSA-N 448.737 0.988 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)F)no3)C[C@@H]21)c1cccc(B(O)O)c1 1786984713 ZTBCZNURLXXOSG-JDFRZJQESA-N 449.219 0.199 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[S@](=O)c1ccccc1 1790590904 BSWDRYTZOUGCAA-RPYVYUEOSA-N 442.965 0.762 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791057779 GQCSVHGGBLPYQV-QZWWFDLISA-N 445.402 0.387 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791063403 HFRSBPVWSIQQBL-VIMZNKNYSA-N 435.315 0.365 50 20 ICGD Cc1ncc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791293009 FDVKCNWABVKNGT-XIRDDKMYSA-N 437.566 0.347 50 20 ICGD O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791558159 YRLXKFHPNGYEKY-QFOLPQNPSA-N 436.307 0.567 50 20 ICGD Cc1cc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792081745 ZJWFNPLNHIKUAL-NDXORKPFSA-N 440.280 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1OC 1794098148 SPEKPBJHTCOFPR-KYHPRHEASA-N 425.913 0.866 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797649228 OUOKHSXOOMMWGG-YYAJDYIMSA-N 427.505 0.657 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)n1cncn1 1802959041 ATABWQUPQISPOZ-WPPMCKGSSA-N 426.481 0.611 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1804255506 WSGWDKXZODXVLF-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804366225 NZCHJVCBTYDFGN-KVSKMBFKSA-N 445.907 0.512 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807362440 HBOYHWYVRGIUOC-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809662283 GXAYPGASFIKORD-ZDUSSCGKSA-N 425.850 0.196 50 20 ICGD O=C(CCc1cncnc1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976569 GXBFLRWYENWJNO-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD CC(C)n1cnc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809978582 YVHNNGLYONSFNE-UHFFFAOYSA-N 439.325 0.697 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810860558 YMWCLUFBUUURBT-KRWDZBQOSA-N 447.492 0.651 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069732 YYJJFXCTMCBYIC-XHNCKOQMSA-N 432.344 0.431 50 20 ICGD O=C(CN1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347621 GZXQUPXUQKSWBO-OAHLLOKOSA-N 428.323 0.145 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)cn1)CC2)c1cccc(B(O)O)c1 1815355464 SCNLMNNVLLGAJW-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817283088 UQHSQILXRWCTOX-BPDROILWSA-N 442.457 0.277 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)COC)n[nH]1 1822370011 JXWPQDUTQPMREN-JVLSTEMRSA-N 431.877 0.720 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057268 APWKVQYOGGEFIB-PLTNMMHCSA-N 448.394 0.758 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719275 BMMDSZBGLAKVGT-TYNCELHUSA-N 427.723 0.074 50 20 ICGD CC(C)(C)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834408284 ACPDBKMMZJXOGD-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834774983 KLNXWTPMLFETLG-BVWQNDCPSA-N 437.262 0.253 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1834821203 BDJSRHDTAMXYKJ-CQSZACIVSA-N 443.241 0.338 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835862706 SMMXCRMFLRJWKZ-FXAWDEMLSA-N 425.913 0.463 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837747460 NWRLXZJCWPPOEA-FTRWYGJKSA-N 440.928 0.592 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837852042 MUZUYDFQENTBAL-CXAGYDPISA-N 436.267 0.544 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839017491 OZRPMBPQJBJUEI-PXNSSMCTSA-N 426.897 0.755 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203452 LODLOEGXESTDFA-NVXWUHKLSA-N 436.322 0.619 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839642995 AVMYMFBNDGRRDX-MPGHIAIKSA-N 434.375 0.957 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840033981 WJCSDVOCJBURJS-KEYYUXOJSA-N 444.330 0.154 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155813 IOKXGKJHPMKFOI-ZENOOKHLSA-N 441.750 0.870 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccncc2C(F)(F)F)C1 1843531422 KFXIJQUSYOITTH-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1844691818 DBXLCLUASKGFHW-UHFFFAOYSA-N 447.448 0.608 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 28714715 CEFKZLTVAWISCE-UHFFFAOYSA-N 431.474 0.642 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 728957107 JPGBTWVLJGFZHX-UHFFFAOYSA-N 439.444 0.650 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 729276208 ZGQKWBLKEZCMEZ-QMMMGPOBSA-N 430.284 0.538 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1 730074103 UBUHXAHMJYSAHD-CQSZACIVSA-N 442.563 0.646 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)s2)CC1 730166241 QHNBZHGBUDVHDU-LBPRGKRZSA-N 449.576 0.364 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)C1 732258665 FOHMGHRWXXLFBG-BXWFABGCSA-N 445.520 0.831 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732467861 YAPAXVGQJPWQEY-HDRCJFCASA-N 431.449 0.709 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1cccc(C#N)c1 733043635 PWNUXBIGWNPTGD-UHFFFAOYSA-N 431.474 0.315 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734240602 UPDFMYXDEYZAKI-HXPMCKFVSA-N 440.501 0.342 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 734240911 WMQPNLUQVKFRFD-UHFFFAOYSA-N 441.510 0.596 50 20 ICGD COCCN1C[C@@H](C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 734825391 ZMNYKYBWTGMXQU-ZDUSSCGKSA-N 427.502 0.211 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 735117051 MRAXMQFQTVKMHL-UHFFFAOYSA-N 435.466 0.265 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 740943983 ZBTGSKHGTXPVJL-UHFFFAOYSA-N 435.300 0.162 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)o1 742583184 PQUNFUDVXRBAFH-KNCCTNLNSA-N 432.477 0.435 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1 744385383 IRNMDTVGKLEAMD-UHFFFAOYSA-N 434.500 0.253 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1 744905463 ZKQAMNPXCLITPW-UHFFFAOYSA-N 447.407 0.947 50 20 ICGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 746093352 OMSDFEFPPMVVNB-SFHVURJKSA-N 432.502 0.257 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cc2C1 746099991 DJNDMHNUXPEBMT-VIFPVBQESA-N 439.519 0.039 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 747089396 BZOQPUZGXMGZFM-KRWDZBQOSA-N 447.536 0.801 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)cn1 748338013 BIFBTGDYUYKEJZ-UHFFFAOYSA-N 428.478 0.182 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 750937033 PCWWUWCBZHLHTE-UHFFFAOYSA-N 433.490 0.144 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 751206285 CAYINSMZACNKMD-UHFFFAOYSA-N 434.474 0.258 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 751206657 KQLQVIGPIJPZST-UHFFFAOYSA-N 449.470 0.082 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1 751806820 JVFPPCGNQYNLNA-UHFFFAOYSA-N 441.510 0.500 50 20 ICGD Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756081932 ROCHGJOQJOQTFR-DGCLKSJQSA-N 443.323 0.864 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 763551106 LIUNHRCPLRJHTC-MRXNPFEDSA-N 440.412 0.933 50 20 ICGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797662 YTKUBMBPJOEMLZ-UHFFFAOYSA-N 449.489 0.730 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 763807918 RQXZWZRAJGGSMR-UHFFFAOYSA-N 425.426 0.767 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 763824420 OWYSFSWROVJFHX-UHFFFAOYSA-N 445.501 0.494 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 763882182 LHJGSZJNYZLLJT-UHFFFAOYSA-N 433.509 0.492 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2C1 763940324 FUVPBWWBMFEXJQ-SNVBAGLBSA-N 436.515 0.920 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1SCC(F)(F)F 764002672 PRUHPSUVOUCVRZ-SECBINFHSA-N 439.437 0.862 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764077180 MIZWQZKHSKTEMM-KQWNVCNZSA-N 435.506 0.776 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 764154783 UWHWLUYCOGQNDZ-SJORKVTESA-N 425.397 0.105 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 764302445 DHCPYEWKRUJIRW-UHFFFAOYSA-N 441.412 0.671 50 20 ICGD COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)CO)CC2 764421525 KZNFMKPACPQTCS-UHFFFAOYSA-N 442.472 0.340 50 20 ICGD CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764426173 UBWODYUHIBDHGJ-LBPRGKRZSA-N 427.479 0.625 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 764830756 MGNPIAUYHUPGPF-CQSZACIVSA-N 441.506 0.877 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccoc2)c(NS(=O)(=O)C(F)F)c1 769623568 JKYNGJBQTUAQLI-UHFFFAOYSA-N 425.391 0.876 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)n1 773730832 NFRPEZQRJQVVTJ-UHFFFAOYSA-N 427.421 0.829 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C\c2cnc(OC)nc2)c1 773763521 QOACUNGRUIWOHQ-KTKRTIGZSA-N 433.490 0.990 50 20 ICGD CCOC1CC(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)(N2CCOCC2)C1 775147515 UUYDQSYYVLKISW-UHFFFAOYSA-N 426.539 0.986 50 20 ICGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)c1cc(Br)c[nH]1 775212694 RPQXSDSEAWNXHX-UHFFFAOYSA-N 430.284 0.877 50 20 ICGD O=C(NNC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12)c1csc(N2CCOCC2)n1 777411857 JJAJRCSVOSHMAZ-FQEVSTJZSA-N 442.501 0.930 50 20 ICGD COc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1S(=O)(=O)N1CCOCC1 779374725 BJUADFRKKVUFIY-UHFFFAOYSA-N 442.885 0.499 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 784005161 RPMFNPJMHITMJY-UHFFFAOYSA-N 429.458 0.156 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c2ccccc2c1=O 784293872 ZPRDMBQVFSBJSC-DOTOQJQBSA-N 439.472 0.136 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1 789267468 SYKJMABAPMYHGR-UHFFFAOYSA-N 428.862 0.277 50 20 ICGD O=C(NNC(=O)c1cnn(CCO)c1-c1ccccc1)c1csc(N2CCOCC2)n1 792808877 JNGSVRSHTPWPBZ-UHFFFAOYSA-N 442.501 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3CCCOC3)CC2)cc1 793677311 VHJWKUZSAAYKOT-QGZVFWFLSA-N 438.550 0.265 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1c(O)nc2ccccc2c1=O 794072036 POUJFDFPCGPNPD-UHFFFAOYSA-N 425.401 0.176 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCOCC3)ccc2C)c1O 797536272 YLKRMSHHPJOGQJ-UHFFFAOYSA-N 428.445 0.946 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)N=c1cc[nH]cc1 802024701 UORILSYMNRPXFL-UHFFFAOYSA-N 442.295 0.787 50 20 ICGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(F)c1 802578239 NNMZXCJOBDDFOV-UHFFFAOYSA-N 430.367 0.958 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 803490707 JTYCTDJXNFXPLI-GOSISDBHSA-N 435.440 0.810 50 20 ICGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 806293834 CSNDVZCIHIUYAU-DOMZBBRYSA-N 437.449 0.820 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 806969072 WPQOEWAPDVHJNT-KGLIPLIRSA-N 425.445 0.569 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 812732320 AIEXTYGGCSJHHO-UHFFFAOYSA-N 427.508 0.339 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2)cc1 864234537 SIJUBRCTDXJSDG-KRWDZBQOSA-N 445.306 0.812 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNc1ncccn1 913043995 ICQOITQSOZQWMD-UHFFFAOYSA-N 432.462 0.702 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1S(N)(=O)=O 915597319 OASYUHSANVAMES-UHFFFAOYSA-N 439.465 0.867 50 20 ICGD O=C(COC(=O)Cn1cc(Br)cn1)NNC(=O)[C@H]1COc2ccccc2O1 917315446 BYLLTZGMLPGYAT-CYBMUJFWSA-N 439.222 0.176 50 20 ICGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 920276372 WOFJZMGJBIIYNI-GOSISDBHSA-N 437.412 0.832 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2 1117473769 BYWODRFBCCCLEI-KBPBESRZSA-N 441.492 0.363 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1cc(C2CC2)nn1 1253103329 HJJHKUWAFSOZDQ-UHFFFAOYSA-N 431.928 0.774 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1779036602 BJVZDGROFRELJF-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779598431 MOXAAFLUWNRZAL-RXVVDRJESA-N 432.908 0.975 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254931 IZQWBPLSRUFLKD-GQBLCDNYSA-N 440.460 0.365 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781097471 BZIDSFYTSIKSIE-JTDSTZFVSA-N 445.402 0.626 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781230073 MOWLZGMDPZPBLO-MSOLQXFVSA-N 444.319 0.365 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1781492318 LKBSBHGPXCJTOI-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1781997793 JBNIBKLVRSBFON-PSTGCABASA-N 443.346 0.617 50 20 ICGD C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209519 WZZQZZBHQMLFSO-OXQOHEQNSA-N 426.583 0.793 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2 1782213425 QLUJFXGDEIYEHG-KDFMHDEESA-N 436.578 0.748 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783353871 RATPTMVLFRJULS-FRQCXROJSA-N 445.402 0.626 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1783931261 YBTNQPIQGDIHTM-IXDOHACOSA-N 425.309 0.668 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1783936134 DLZSBLBZYXYNHX-RDPSFJRHSA-N 442.560 0.994 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981836 FRPZIFUFMGGERF-QMTHXVAHSA-N 444.248 0.668 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21)[C@H](O)CCl 1784092144 HRNAPNAIMIDZCO-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784525317 WOVNNSDOENHQQC-QMVSFRDZSA-N 439.372 0.430 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1790963356 GDPPVGGMEVRFFL-YTFOTSKYSA-N 430.343 0.666 50 20 ICGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1791416948 VVMSLIYSIDMARW-XSLAGTTESA-N 438.908 0.595 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975412 QUXBEDALTNYJPI-YIDVYQOGSA-N 445.944 0.645 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2)[C@H](O)CCl 1792982828 QXRRZOZAFBELNG-YHDCXSKOSA-N 435.952 0.840 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792984051 XNSSFALZDQVKIU-KPEUIFRASA-N 440.880 0.041 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793116291 KCBSTLCLYJAWIY-GTDBDLECSA-N 445.944 0.595 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793592265 FTXDIBIMLZIBRS-YIDVYQOGSA-N 445.944 0.645 50 20 ICGD COc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1794260316 MBFUHIDLNSQAMX-MUJYYYPQSA-N 438.488 0.583 50 20 ICGD N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192798 SJJVLXQCLPDLNA-ACDBMABISA-N 433.273 0.569 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798099667 JWALUHDMPUCNBA-ZYYNGRNUSA-N 431.276 0.614 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1800642479 KFFJXZZRXKHACW-OXIQGZBJSA-N 429.315 0.805 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337233 SWKTUFPGVLJEQX-MUJYYYPQSA-N 439.557 0.911 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nccs1 1805936860 PBIBINCGTAHSCQ-AEFFLSMTSA-N 436.302 0.851 50 20 ICGD N=C(N)SCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809759525 PHTZEGFWAYRFCP-UHFFFAOYSA-N 432.355 0.228 50 20 ICGD CC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299610 SVPOWYJFKWJJQY-OXQOHEQNSA-N 438.488 0.769 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071899 VXXFPOCIDKLKRQ-AVRDEDQJSA-N 432.569 0.849 50 20 ICGD C/C(=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)O 1815347943 YHHYIIAUQSOEPQ-KJJQSCHISA-N 429.263 0.080 50 20 ICGD CCn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816559203 ARRGAMSEVAZHLD-QGZVFWFLSA-N 436.281 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](N)c2ccccn2)n[nH]1 1817336366 UQEOBQSKOZFSNS-OXJNMPFZSA-N 442.524 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 1818032261 YPVVFDXTKJUWIL-ZDUSSCGKSA-N 446.468 0.290 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1 1822414019 KVOARAPDNHBJJC-GFCCVEGCSA-N 447.456 0.720 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822431844 CUCHIOVPMWWYGE-SJORKVTESA-N 446.338 0.509 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830534541 BFTNPLYBISVYTH-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1830537385 GCKPDQHCVMDJNY-RDTXWAMCSA-N 434.375 0.862 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831441133 VOLXGYNKPFCQAG-LJQANCHMSA-N 444.536 0.445 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738065 BYQSDECJODMOIW-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831989912 OXZMVGDFQWWGEF-SFHVURJKSA-N 449.342 0.960 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CCC(CO)CC3)CC2)CC1)[C@H](O)CCl 1833307868 BTMNRLOXTAKZHN-LADRWXRNSA-N 429.989 0.956 50 20 ICGD CC(C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797432 KNDKYNMHKIFNCO-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835748533 UPOJHXXLXNWQOR-LJQANCHMSA-N 439.984 0.856 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359090 PGDIOUOTQPFSPD-JQFCIGGWSA-N 445.402 0.312 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cocn3)CC2)CC1 1837566308 ZQEJNIUEMZFWQG-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837713105 HQGMVJBRQRSHGM-HXUWFJFHSA-N 436.585 0.751 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1 1837919147 JQGZSJYDLUDVIV-SFHVURJKSA-N 436.264 0.634 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C3CCCC3)CCO2)C1 1839179704 LXIOCWYYRYLHGD-GLJAUCNMSA-N 436.553 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1840152345 FZNBFKZNTZAVGH-UTKZUKDTSA-N 438.908 0.945 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010405 MENAFFXPVSMORM-SFTDATJTSA-N 434.301 0.996 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843481467 UPJUELJUWGWPFA-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845310794 MCYDPGGNBXRLQY-UHFFFAOYSA-N 440.416 0.430 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1846070967 OFJMXFJTFRFDFE-KGLIPLIRSA-N 433.299 0.858 50 20 ICGD CCOC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 21772341 UDXOJGHDGPUVQM-LBPRGKRZSA-N 441.915 0.199 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 25433746 WWVUETHLLARMFG-FQEVSTJZSA-N 428.376 0.783 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1CCN(c2ccccc2)CC1 725871271 JAPNAUZCLKRMPR-UHFFFAOYSA-N 428.493 0.552 50 20 ICGD CCC(CC)[C@H](CNC(=O)NNC(=O)CNC(=O)c1cccs1)N1CCOCC1 726089484 GUVSJGGQKUNNMP-HNNXBMFYSA-N 425.555 0.945 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)Cc2cccnc2)c1 728852231 UYQJCBCWLUNRKB-UHFFFAOYSA-N 447.517 0.172 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2O)C1=O 730780357 VOYYDLXNMDGDKZ-FQEVSTJZSA-N 430.392 0.525 50 20 ICGD O=C(NNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 733138670 HWDYSXWLJMMMOT-KTZOAPACSA-N 443.485 0.370 50 20 ICGD CC(C)CCN(CC(=O)NNC(=O)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 733193270 LVOCRMGVVWUHIO-UHFFFAOYSA-N 442.520 0.989 50 20 ICGD COc1ccc(C(=O)NNc2nccnc2Cl)cc1S(=O)(=O)N1CCOCC1 734261536 KEEQPVPRKKYBLO-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc(-n3cccn3)c2)CC1 740085658 HJWQAQDEGNYODE-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1 743295858 RWFFSXZHFJCEIF-UHFFFAOYSA-N 448.501 0.430 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1OCC(N)=O 744594992 UENGUOIGEXIPQD-UHFFFAOYSA-N 426.385 0.049 50 20 ICGD CN1C(=O)c2ccc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cc2C1=O 744620287 HYKYOISHKMOSQN-UHFFFAOYSA-N 444.469 0.690 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1ccccc1Br 750662643 ZBTZWPIXODTEGI-UHFFFAOYSA-N 446.283 0.501 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 751206135 DUWHVPZTFYHUMA-UHFFFAOYSA-N 428.467 0.329 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 758042844 BHJZQGDMBDWSLT-SECBINFHSA-N 436.943 0.339 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nc1 759737472 COGZRDSPLYONJW-LBPRGKRZSA-N 433.446 0.012 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 763572666 NJBYZVINQQKHLA-ZDUSSCGKSA-N 440.334 0.949 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cn1 763912217 SXBODDGXHUUCKI-UHFFFAOYSA-N 432.506 0.749 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C3CCCC3)cc2)CC1 764069622 ZBDBQNIFJRGOID-UHFFFAOYSA-N 431.493 0.258 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 764128061 YVOOFKSFAFFWFW-UHFFFAOYSA-N 425.445 0.604 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)cc2)CCN1 764239040 BJBLHUVPCCMZEX-UHFFFAOYSA-N 434.456 0.364 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 765319680 HTWUETFGZUWXHR-NRFANRHFSA-N 447.492 0.906 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(N2CCCC2)nn1 766636289 NRCNITARVRFUFU-UHFFFAOYSA-N 437.504 0.296 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1)c1ccc(-n2cnnn2)cc1 767735907 NDXGGXRQCPVBQA-UHFFFAOYSA-N 440.800 0.776 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 769630522 LBPIEIMGEZITEL-UHFFFAOYSA-N 439.422 0.016 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 770423802 FUKBUFPAZHGSTM-UHFFFAOYSA-N 444.469 0.813 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCCS(=O)(=O)N3CCCC3)nc21 770966063 QQWLZTYUXFXDHB-UHFFFAOYSA-N 425.515 0.936 50 20 ICGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771607994 RIVKNNYQICWEBJ-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 773052132 ZPUNSXFAUZAEKH-MRXNPFEDSA-N 436.534 0.881 50 20 ICGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC(=O)N2C2CC2)c1 776316396 JGOZBXVWRKEDFN-OXJNMPFZSA-N 440.456 0.918 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)cc1 778438456 SXYSSVZJEXFIOI-FQEVSTJZSA-N 449.464 0.134 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCS(=O)(=O)C1 783425661 IZCFKSZYABORFK-LJQANCHMSA-N 429.458 0.882 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 783637975 WWHIXWGNSKXXIL-UHFFFAOYSA-N 437.497 0.982 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783847853 VJSLUECQEBGPKA-GDBMZVCRSA-N 426.495 0.454 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1C(=O)OCC 784916304 WXGOFKQDYRVPKJ-UHFFFAOYSA-N 426.426 0.520 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNc1ncc(F)cn1 784950232 VCMBZWVDKFBCNB-UHFFFAOYSA-N 437.331 1.000 50 20 ICGD CN(C)S(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C2 792891670 IAYIZHWZMPAJNB-UHFFFAOYSA-N 441.513 0.628 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 803490172 GDDCHFBBUAAFGW-SFHVURJKSA-N 435.440 0.810 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C 809988594 LTRZLRURIOYPJF-UHFFFAOYSA-N 440.551 0.110 50 20 ICGD CN(C)c1nccc(NNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 810427093 BSUBSLJHSKTSEL-UHFFFAOYSA-N 434.400 0.863 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 815691857 CXUSXSBKAFBKGN-XQLPTFJDSA-N 426.481 0.493 50 20 ICGD Cc1noc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc12 879294335 PIQFEZATWCUDCQ-UHFFFAOYSA-N 445.457 0.627 50 20 ICGD COc1cc(I)c(Cl)cc1C(=O)NNC(=O)C(=O)NC1CC1 914719556 XMYXWCFOEHKKPJ-UHFFFAOYSA-N 437.621 0.993 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 915789136 QCDHQTNZXSTCED-CYBMUJFWSA-N 437.449 0.922 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O 916249624 CFKLHJPVYIHSEP-GJZGRUSLSA-N 430.509 0.860 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)CN2CCCC2)cc1 918224283 ZTSBBGDKKYRKNH-INIZCTEOSA-N 425.555 0.678 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371172 KNYYBYRZZFIBLX-SAJUPQAESA-N 447.536 0.220 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780543287 HSANICSLYCXYLR-HSZRJFAPSA-N 438.289 0.522 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330214 UFGMAUFUJZCHJU-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(C2CC2)on1 1783756287 BRGMRRONLZXTRL-KNBMTAEXSA-N 439.277 0.139 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783820111 OHXMYXALTLYXPL-YTFOTSKYSA-N 433.933 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1783934043 UVKFTXDNADNLSM-FGBWHXJSSA-N 429.521 0.485 50 20 ICGD C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)NC(=O)OC(C)(C)C 1784091290 YUGANDCYQCMBCS-YXMSTPNBSA-N 447.960 0.869 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1790964188 UBZFBYHYJUDJKM-BXTPVMGZSA-N 449.342 0.755 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1791255022 AILDZSGGOYVLFU-CWVYHPPDSA-N 425.917 0.511 50 20 ICGD O=C1CN(c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H](O)CCl)n2)CCCN1 1793110227 DCALYSIKFOJUPR-IVSAIRAKSA-N 449.939 0.259 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793392336 QQNZKRGWEMFHFO-FWLCGHDSSA-N 433.509 0.117 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c(F)ccnc1Cl 1794237979 OESSFOLBRVHZHI-FVCICTRLSA-N 447.659 0.071 50 20 ICGD Cc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796577997 JXOLWNZIDYOMAC-FVCICTRLSA-N 429.502 0.572 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1801006539 DWWXZPAUNXINJI-RMVUQKRGSA-N 425.309 0.428 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803135498 DFJKQSIWJNQEFI-QRTARXTBSA-N 436.856 0.492 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803142979 PZNIFROTDSHLOR-OJLVUWQFSA-N 425.917 0.395 50 20 ICGD O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)[C@H](F)Br)CC3)C2)C(=O)N1 1806695781 GGFLNXISSDTGFW-ZDUSSCGKSA-N 433.278 0.460 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376290 VECYBRMNZOSROF-BSIFCXSSSA-N 439.321 0.895 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@H]2c2cccnc2)CN1 1808678756 NEBRIENRDMYDPB-OSRDXIQISA-N 427.274 0.914 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809825286 ZBVYMSNRDMLRAH-KGLIPLIRSA-N 431.375 0.984 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1810299935 VPALEHPLIIRLOE-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(F)nc1 1810692809 QYCCQMHSOCACTG-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1810828954 FSLVAUHGBQGULE-IERDGZPVSA-N 443.504 0.860 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068508 NQLGAEUUADRTHA-BBTUJRGHSA-N 446.552 0.375 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801144 ZKMXTFCRCZVDIP-NEPJUHHUSA-N 445.549 0.708 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826099933 WMZNFYAVRVUXCH-QTTZVWFDSA-N 425.294 0.923 50 20 ICGD O=C(c1cnsn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049991 CLWCVENLHVWKHC-SFHVURJKSA-N 428.323 0.765 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1830358464 WCDKDAYBCCDPPB-HNAYVOBHSA-N 444.985 0.734 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364258 DNRHZOVXNGVCRV-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830366222 LIFRPEALFJLNST-KDOFPFPSSA-N 436.958 0.285 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1830533307 JZZJQTXOBYGVNE-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD Cc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830723073 KYPUPJAQTRFEFC-XLIONFOSSA-N 426.897 0.430 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832773519 FCCYJHZNKNBQLP-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)n1 1833443593 UTWSPLDYIVEOFK-IBGZPJMESA-N 440.573 0.350 50 20 ICGD CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nc1 1834011442 VZKOEMDHTZGSGF-LJQANCHMSA-N 437.972 0.933 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834298499 JYGUXZLXJDNBIJ-GUYCJALGSA-N 427.299 0.720 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797542 WRNQUASEYBERRX-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075450 TXXRGODTOGEHAQ-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1836202610 RADKXSXXCHNNMV-PBHICJAKSA-N 429.315 0.431 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359406 HIFKPXZXUQLBMY-ROUUACIJSA-N 426.634 0.132 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508315 VIBIXLVQNGWUES-ZUZCIYMTSA-N 446.258 0.171 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1836788344 YKPWEHNVICAJAC-MRXNPFEDSA-N 431.917 0.691 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565161 MWELLLWJZUDEBJ-YNBXDXGYSA-N 442.310 0.938 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926273 INSSYWARCFUIFO-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1838833232 IUIADGKGVMRHDK-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840032452 YZQRFWGQNZXJPT-SIXWZSSISA-N 441.322 0.960 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840152171 AGNIYXHNZBFFDO-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840152917 YQSPWDKWGSLWDM-AUUYWEPGSA-N 438.868 0.547 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840154016 IADGVEMXQJVTIC-LIRRHRJNSA-N 443.932 0.357 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nn1 1840188938 MKGATKGICZGIBJ-QGZVFWFLSA-N 433.292 0.749 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840725388 PUTCYLLOJLDPCH-XLIONFOSSA-N 439.896 0.315 50 20 ICGD O=C(NCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccccc1 1843012910 XUZGDYXXQKACJK-UHFFFAOYSA-N 435.289 0.004 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845215798 FRIPIRFKRVKWSD-MNOVXSKESA-N 438.294 0.766 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1846384503 AIMNOSVSTQCDRU-UHFFFAOYSA-N 425.530 0.430 50 20 ICGD O=C1COc2ccc(Cl)cc2N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556080 CKJSBSGTVFAVGT-KCQAQPDRSA-N 442.299 0.867 50 20 ICGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc12 14324796 ARFUPUHBTKMVKE-UHFFFAOYSA-N 442.501 0.849 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 15525210 PZFAOMPAUDMVHH-UHFFFAOYSA-N 447.469 0.554 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2cccc(C)c2)cc1 15877014 FAZFGCYZIDFYOJ-UHFFFAOYSA-N 448.501 0.800 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 22625639 DNRGVKHWMRVVMY-UHFFFAOYSA-N 446.407 0.579 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 26973209 STAYDTGDKOFCLQ-SFHVURJKSA-N 449.485 0.741 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 29319402 KCWWNHKJCKWNDR-UHFFFAOYSA-N 439.472 0.904 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(C#N)c(Cl)c2)c(=O)n(C)c1=O 726448189 CMZRBCWHFLMOLS-UHFFFAOYSA-N 439.910 0.114 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 726499344 FWRZKEUZWXFYBH-DZGCQCFKSA-N 438.462 0.090 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)NC(C)(C)C)c1 728135073 VICNEFCLFSVROQ-UHFFFAOYSA-N 441.554 0.966 50 20 ICGD O=C(COC(=O)C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 728338629 LHGNJOOOZWSBMN-GUYCJALGSA-N 425.397 0.643 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1=O 728386001 QRDNBIPSGXSWEE-WDEREUQCSA-N 429.882 0.284 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c(OC)c1 731826676 JFANOVRWXDPOFV-UHFFFAOYSA-N 444.429 0.190 50 20 ICGD O=C(COC(=O)C1CCN(c2cnccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732324450 YRBWVRHVFOSETR-UHFFFAOYSA-N 428.405 0.606 50 20 ICGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 733123014 MYMBZEAEXCZNLJ-UHFFFAOYSA-N 434.499 0.966 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 738474741 ITPWPDHMSFCXOD-UHFFFAOYSA-N 433.852 0.748 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742477817 URDRTGKYHFEZSF-UHFFFAOYSA-N 443.485 0.319 50 20 ICGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)CCN1c1nccn2cnnc12 749450391 SCOIQFCQSALORH-CYBMUJFWSA-N 428.884 0.749 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)c3cc4ccccc4o3)CC2)cn1 749573126 GVGLDQNLRIEHPS-UHFFFAOYSA-N 446.489 0.964 50 20 ICGD CSCC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)c2ccccc2C1=O 758834667 PYMHOLJJRAPBTD-CQSZACIVSA-N 441.469 0.585 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 759380290 WXEQBKOPYZEGOY-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 760277746 QCFLWFKXERTWLI-VIFPVBQESA-N 438.428 0.550 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)nc2)CC1 761789371 HDTGVHTZOLZYFI-BBWFWOEESA-N 438.554 0.601 50 20 ICGD N#Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530149 DUURIRQRLLLRGQ-UHFFFAOYSA-N 438.463 0.996 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C 763550705 KBHUYZZTBANSGP-UHFFFAOYSA-N 434.430 0.032 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 763746201 QGFFULOIDSGXAW-UHFFFAOYSA-N 427.461 0.646 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763805640 UFLPDIOKNYZYGD-UHFFFAOYSA-N 443.416 0.900 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763839088 FKIUHOAZDKUPQO-UHFFFAOYSA-N 443.391 0.042 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763857793 OQEKBQJPBJHAKH-ZDUSSCGKSA-N 443.435 0.315 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1F 763864611 FMIACIPGGDMMES-UHFFFAOYSA-N 436.407 0.920 50 20 ICGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C)c1 764002403 MCCJVAMJCYIEND-AWEZNQCLSA-N 433.490 0.318 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764004482 XKUXFXXTWHZFSS-UHFFFAOYSA-N 429.385 0.653 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 764235100 QGRBYKLOSZYUHD-UHFFFAOYSA-N 427.442 0.399 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275535 NCNXCAWBHWNBAQ-UHFFFAOYSA-N 430.417 0.268 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764336090 XSDFUWNAAZTXMW-SECBINFHSA-N 442.448 0.401 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 764546994 JDROLUGTBMVLDV-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 767304775 DAIQKBXJXKZVRX-UHFFFAOYSA-N 435.458 0.619 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 769577278 HGAJTIXJAVWIBL-UHFFFAOYSA-N 428.436 0.698 50 20 ICGD C[S@@](=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 770247289 SJAQZFAMMVMRDF-SSEXGKCCSA-N 428.514 0.643 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1O 770952317 MOEUMEOTBQSBIY-SECBINFHSA-N 440.865 0.273 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1C 772990398 MCFOHRWNYLRRCR-JTQLQIEISA-N 429.886 0.275 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 773074103 LDRLQBHNJXQAQP-UHFFFAOYSA-N 449.489 0.568 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnc2ncc(Br)cc2c1 781030559 MXPFCIYXCLTZAB-UHFFFAOYSA-N 429.234 0.978 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 782967727 WOVUXFODCPXQDU-UHFFFAOYSA-N 439.259 0.603 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783264919 SUCDRPPHPBYULY-UHFFFAOYSA-N 449.489 0.945 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(F)c1 783428584 WDRBVNAYCWLENT-SFHVURJKSA-N 429.470 0.918 50 20 ICGD O=C(NNc1ccc(OC(F)F)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 784307294 FFWGNUQVQYUFOO-UHFFFAOYSA-N 438.391 0.425 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 784842723 WENIAVNITWYRCQ-LFVJCYFKSA-N 446.489 0.985 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(OC)c1OC 785059885 CTYVSPBYCJGSHN-UHFFFAOYSA-N 427.417 0.689 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c(F)cccc2OC(F)(F)F)n(C)c1=O 789037288 JDIITWQTCATQDT-UHFFFAOYSA-N 442.329 0.622 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 790039259 ZXNVVTDWPRXSTK-UHFFFAOYSA-N 438.531 0.910 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 797369014 LTIXQUXYFFSRSK-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 797369136 ORLFTQVSYCTSLL-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(Br)cc1[N+](=O)[O-] 797685053 PYZVXNFTYCHJKN-ZETCQYMHSA-N 438.260 0.756 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1cc([N+](=O)[O-])ccc1Br 800620745 AZZQZJSFTCFYBS-MRVPVSSYSA-N 447.271 0.901 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 802567511 XBQRSVZFFNIFOQ-CYBMUJFWSA-N 433.490 0.004 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCCc2ccccc2)ccc1F 806978220 RGOCGSNSERHTGS-UHFFFAOYSA-N 436.465 0.843 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 808045361 IUDGPUAGPLBIKX-UHFFFAOYSA-N 430.479 0.558 50 20 ICGD COCCN(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 808075426 NPCISKRMLWHHAM-UHFFFAOYSA-N 439.538 0.136 50 20 ICGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 809983738 RMUXGCVXSIFSEL-CQSZACIVSA-N 432.506 0.166 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 815691987 GWNDVTDNNFUJAV-MRXNPFEDSA-N 432.440 0.858 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 815692010 HOFISYQPEPQIFW-INIZCTEOSA-N 429.440 0.421 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1 825782444 XYJSDCHWERSIDD-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 912839840 GMDSWXPWBIFXQC-CQSZACIVSA-N 446.485 0.850 50 20 ICGD O=C(NCCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 916514842 PRADLNZGSHZMRV-FQEVSTJZSA-N 425.489 0.979 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCS(=O)(=O)CC(C)C)c1 916726565 NRKZDVWHIGIJAB-UHFFFAOYSA-N 447.579 0.939 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC3(CC2)C(=O)Nc2ccccc23)c(=O)n(C)c1=O 917544271 ATYMLJQTXWPWNN-UHFFFAOYSA-N 442.501 0.507 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cccnc3C)CC2)cc1 1117115960 UIOUSTITCNFLDF-UHFFFAOYSA-N 445.545 0.395 50 20 ICGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1322444655 SGZRUHXSTCHCIX-ZDUSSCGKSA-N 427.504 0.181 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779338979 BEDBHNDBFQFVLY-LJQANCHMSA-N 434.522 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1783934495 HNPXIJMLXVTJFE-NRFANRHFSA-N 432.525 0.036 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1783936339 UXDUOXLXOPPLAO-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1783974360 MDQGQBCHJPJCDD-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086733 ZKNUZGHNRNPIJH-RBZJEDDUSA-N 445.944 0.575 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)c21 1784091365 PVDNUFTXZBOJBI-DDWPSWQVSA-N 436.896 0.472 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093548 YMNLXIUFXFWDFB-DZDHOGLCSA-N 433.892 0.602 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784312292 PESXQFDSLUODNQ-ZOFXXKQRSA-N 431.961 0.771 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)F)[C@H]2C1 1786691475 YLWZOWAKJJKCJB-BPNCWPANSA-N 429.399 0.231 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1787507428 VUNOPQKZWMBETA-AVGNSLFASA-N 442.365 0.195 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 1788611442 BZYHMCIXFMIKFR-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(OCCCO)cc1 1789233798 JKTPTCRHYHAFKA-WNHJNPCNSA-N 440.924 0.641 50 20 ICGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922060 DIWUDPXCQIBOGJ-XRRVDJEJSA-N 433.278 0.713 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1792782818 GZOLQKGTLCEKTL-YWVIFJGQSA-N 437.928 0.485 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1792870187 LCSQFQPPDRWFRS-NRWUCQMLSA-N 439.310 0.415 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2NC1=O 1792980754 MKSMNBOHOGGNQL-GPAIFXABSA-N 437.880 0.209 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sccc1F 1793559109 AZYVHGFKFHTSGW-QHBPRCKVSA-N 433.465 0.403 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)CCC2 1793849281 SPHLUSHCSHSGTR-IRJINJETSA-N 442.560 0.680 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)nn1 1798369500 DICFHVOJZHHBEG-OHTBPHCPSA-N 427.299 0.719 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1)c1ccc(B(O)O)cc1 1799929393 NZCQDFPVTNSVQW-FLNBYBTLSA-N 439.321 0.019 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800891631 JBYFWDPGJPUEDR-VWPFQQQWSA-N 430.343 0.620 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1805289430 UDNLAZKMVIKNJO-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340912 QVFUBXQHFFXPHJ-CKEIUWERSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367792 MJXVMSVBQIENME-SXLOBPIMSA-N 439.346 0.977 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2 1814808089 OPRDNLUJPGIDSY-PTZCXBDSSA-N 436.307 0.338 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(=O)C2CC2)n[nH]1 1814808944 RFYFLAQPKCDVKG-OAHLLOKOSA-N 425.449 0.693 50 20 ICGD Cc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344361 VMCVPTIVZBIYBU-CQSZACIVSA-N 437.290 0.461 50 20 ICGD N[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)c1ccccn1 1817475354 OKMIBTCPTCVDQR-AZUAARDMSA-N 448.292 0.490 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822440350 VNDCUSKTACRPRQ-ZJUUUORDSA-N 425.795 0.680 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824255280 FHFMDIZBWLDZEM-RBUKOAKNSA-N 431.537 0.935 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1828950759 NQJDLQIKQUDAFN-KSZLIROESA-N 446.928 0.701 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1831654370 SWLBWSIXUJQEDV-RDTXWAMCSA-N 434.990 0.334 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832363199 OYYUUOKXHZKAKK-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833260613 RIRJLPBXQLOLER-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CBr)CC2)CC1 1833265973 GTLANRPOICETIW-ZDUSSCGKSA-N 447.374 0.945 50 20 ICGD CNc1nsnc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306513 UXZYDTVJBSQBMZ-CYBMUJFWSA-N 430.962 0.365 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1834164829 FOENKSBVNNUOIL-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1834819369 PACICWFVJFWJSA-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)o1 1834822644 ZYUJJRLVYWNREK-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1834843816 LWLYQEXAVVODKQ-NQIIRXRSSA-N 440.924 0.684 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1836719090 MHYJDNYWBDEBEQ-MRXNPFEDSA-N 430.929 0.928 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837715434 PZNIOTOUNILFNV-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838198713 MDBQOCZRYQFSSL-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839155432 UAFVHXKMZUKATB-IAGOWNOFSA-N 434.324 0.361 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839276675 URMQCFRAHOEXGQ-CRAIPNDOSA-N 445.831 0.404 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1839897920 WLDKHQKMDBPCGX-SFHVURJKSA-N 428.558 0.248 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033272 ZPFPYUAYSRCPRX-SJCJKPOMSA-N 446.298 0.674 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1840155023 NDRARFNICHIDQB-DJPFJPOOSA-N 439.940 0.970 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1841923908 CZFRKLSLTRCBAC-KGLIPLIRSA-N 442.944 0.848 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846483168 RCPFPXCZJRVPGS-QWHCGFSZSA-N 429.901 0.716 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 15096823 DEWWUHSWZMUDMW-INIZCTEOSA-N 439.515 0.229 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 16128112 CWIOOYYZELAKQY-UHFFFAOYSA-N 443.478 0.470 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 16128114 XEDODEOIRKCDFV-UHFFFAOYSA-N 443.478 0.470 50 20 ICGD CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 726277889 GYAFGMKQYMKRCB-OAHLLOKOSA-N 434.516 0.981 50 20 ICGD O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)NNC(=O)[C@H]1COc2ccccc2O1 728323333 XHQYEEMYBGIKIN-RHSMWYFYSA-N 441.444 0.366 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3c(Cl)cccc3Cl)cnc21 728507489 CWZSLDUGGYKGHJ-UHFFFAOYSA-N 444.256 0.964 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC 728915564 RQKRUOANXQJDDK-HNNXBMFYSA-N 428.493 0.882 50 20 ICGD CCNC(=O)c1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728947079 GESVWYQAXBUSDQ-UHFFFAOYSA-N 425.493 0.973 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)cc(OC)c1OC 730095345 CKMILYUEICHUFY-UHFFFAOYSA-N 443.460 0.908 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672564 GQGFBPHAZFZDMF-GFCCVEGCSA-N 434.515 0.302 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccc2ccccc2n1 732049374 SEEFULPVWXFDGV-IBGZPJMESA-N 425.489 0.709 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O 732572541 GFVFOAUQJQXDLF-GFCCVEGCSA-N 429.403 0.187 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 744447031 RZSYDHKTMAQXKW-WQTVUKCASA-N 442.563 0.370 50 20 ICGD O=C(COC(=O)c1ccc(Br)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 747002783 SLHUXEYISAFLMA-ZDUSSCGKSA-N 436.218 0.988 50 20 ICGD COC1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 747449827 WODHYDCDDLGXHG-UHFFFAOYSA-N 440.522 0.611 50 20 ICGD C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2N1C 749866015 BWTWRLACADVVDA-NSHDSACASA-N 430.490 0.831 50 20 ICGD CC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)C(=O)N1CCOCC1 753060798 WLGGCFVFTPGHLY-OAHLLOKOSA-N 442.542 0.376 50 20 ICGD O=C(Cc1c[nH]c2cccc(Br)c12)NNC(=O)N[C@H]1CCS(=O)(=O)C1 753959014 RAHDOGSQNDLZNR-JTQLQIEISA-N 429.296 0.990 50 20 ICGD O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)Cc1cc[nH]n1 755284063 JIWKTPYIWGKNPN-UHFFFAOYSA-N 433.412 0.877 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 755546070 LZEIYYFSDHQYAS-UHFFFAOYSA-N 428.405 0.409 50 20 ICGD COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)C(=O)Nc1ccccn1 758831632 RTCNDTCZYJWZNW-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)C(=O)Nc1ccccn1 758841255 ORUNGUHQEFOKHR-MRXNPFEDSA-N 439.472 0.875 50 20 ICGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 760127263 OAKIEYRJXMUTOY-SJORKVTESA-N 440.522 0.609 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(c2ccccc2F)C1=O 761821632 RLDWVVUBHBANKV-INIZCTEOSA-N 438.423 0.941 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccccn3)cc2)C1 763466207 HVLHOOFCMNEPPH-CQSZACIVSA-N 445.501 0.902 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 763675707 ZHJNBDJLBITGMP-UHFFFAOYSA-N 439.403 0.989 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763804990 ZNBNYKYEVNSXHU-UHFFFAOYSA-N 441.400 0.676 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C 763805883 XBUFFLQTHBQOHG-UHFFFAOYSA-N 429.389 0.428 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 763865956 MTYQALNJLIOXMN-GFCCVEGCSA-N 433.392 0.931 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2cccs2)c1 764002354 LIIKIUVHJYJXPW-AWEZNQCLSA-N 431.495 0.669 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 764106669 OWCLRZKVWZCLEP-UHFFFAOYSA-N 448.505 0.099 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F 764229942 GAFAKQBQABUAMM-MRVPVSSYSA-N 442.441 0.365 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc3ncccc23)c2ccccc2O1 764252092 AXKIMSMZRMNEIN-SFHVURJKSA-N 434.408 0.963 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765391870 HWBYFAMGYFXGLQ-UHFFFAOYSA-N 442.494 0.510 50 20 ICGD COc1cc(C#N)ccc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 766352960 JWIUCQXZAKPWGP-UHFFFAOYSA-N 437.503 0.792 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 766644418 VMFXWXXJMFOWRW-SFHVURJKSA-N 441.532 0.383 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1 766650451 UJIJRVDJNFAPTN-PGRDOPGGSA-N 445.589 0.714 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2Cl)c1 771868708 ROUGWYUCWFAQNC-INIZCTEOSA-N 425.894 0.955 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 774009717 SIEIZAYAWKROLK-NSHDSACASA-N 433.852 0.990 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 778445849 UCCCBDBTCKVMOJ-ZDUSSCGKSA-N 446.460 0.747 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)n1 786128992 PNLZRLIYIJFPEH-OAHLLOKOSA-N 443.489 0.464 50 20 ICGD CC(C)n1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 786705306 WARRQBZLOXETKF-UHFFFAOYSA-N 449.533 0.879 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 788143826 MEWVZLWLLUTMJA-UHFFFAOYSA-N 439.877 0.931 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)ccc2[nH]1 792355153 QMGXUGHLFULWLM-UHFFFAOYSA-N 427.392 0.832 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1C(F)(F)F 793447745 NBIPVCZFTFTPBP-MRVPVSSYSA-N 433.368 0.567 50 20 ICGD CC(=O)OC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 806272711 KAMJBRCXVARTPG-UHFFFAOYSA-N 441.506 0.129 50 20 ICGD O=C1COc2c(cccc2NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)N1 810395858 OOBAPBVNANUXEI-UHFFFAOYSA-N 445.457 0.540 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 815473083 CEPMTPKBUWBMHD-BETUJISGSA-N 433.486 0.874 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(Cl)n3)cn2)C[C@@H](C)O1 815726172 RLNRHTCXWMOVDF-VXGBXAGGSA-N 435.872 0.649 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c([N+](=O)[O-])cc1OC(F)F 816872449 JVDULJSOXVRTFN-QMMMGPOBSA-N 426.336 0.820 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(F)cc2)c1 913055279 NMLLUNLNAGDYRD-UHFFFAOYSA-N 425.438 0.590 50 20 ICGD O=C(CCOC[C@H]1CCCO1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915638374 MUVKYBNZELHUSL-MRXNPFEDSA-N 425.507 0.818 50 20 ICGD CN(C)C(=O)CCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 916623938 HLEASONNIYKRRM-UHFFFAOYSA-N 436.472 0.867 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)NNC(=O)[C@@H]1COc2ccccc2O1 918056005 TTXWWPZVNGXKQY-INIZCTEOSA-N 427.369 0.162 50 20 ICGD CCCCc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919887265 YXDGZVHRGKACDY-HZPDHXFCSA-N 436.534 0.900 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)CSc2nc3ccccc3[nH]2)C(=O)NC1=S 920978129 YXVZKCZVVNRPKB-CSKARUKUSA-N 434.503 0.049 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1O 921076596 UPFBXPSGVKFOEK-UHFFFAOYSA-N 440.503 0.541 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1779030489 AWAUTJIYMFMBEF-JOCHJYFZSA-N 437.456 0.012 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781228093 VPXZXGVWSSOBNE-ZWKOTPCHSA-N 429.109 0.046 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782098594 KWMCDNJZZJBBBD-QAPCUYQASA-N 427.841 0.652 50 20 ICGD Cc1cccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1783505396 CYSBGQDJLCOXRG-OAZFKPDISA-N 443.548 0.756 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CC(c2ccccc2)=NO1 1784401524 VTATWMXDAOKSQU-OBQKDBCYSA-N 435.908 0.759 50 20 ICGD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784563030 VSICJVDNUFPIEL-SZMVWBNQSA-N 434.367 0.349 50 20 ICGD Nc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)sc2nccnc12 1786950972 AUXYHWSNKRCDNT-BJDJZHNGSA-N 439.925 0.467 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1789863246 HPHFQYZZUZRRIA-WSMBLCCSSA-N 437.928 0.627 50 20 ICGD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C[C@@H]21 1790848140 UMYFEKUUGMFUSG-IPHSZAQTSA-N 446.454 0.988 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791063200 CWLZQDCHLHBBIF-HTVCTNPSSA-N 437.356 0.327 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncsc1Br)C2)[C@@H](O)CCl 1792978195 JVOCBSIXXGIHRF-JXUBOQSCSA-N 438.731 0.709 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796080351 JZTUXEVTSOPLHU-FSDCSDTHSA-N 443.953 0.847 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1 1796603168 ISGSFICNPQEVSD-ZWUHOBOKSA-N 426.857 0.755 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2 1797754432 WYMOQXAKNWAMFZ-KHWKGDQTSA-N 449.511 0.692 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cnc2c(c1)CCNCC2 1800245647 BAZXWVHJJHBHEH-MIFYACCESA-N 427.332 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)s1)C2 1801010729 SKYVLDNUKKDGSI-DBWKPXFBSA-N 442.969 0.907 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nc2nccn12 1801013354 WXSPODIDHIHODZ-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803573469 BRDOGINPPCAPIN-GRDNDAEWSA-N 429.926 0.593 50 20 ICGD COCC(=O)NC[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1806490252 VEXQJJNCVKRJHW-VMGGIKTDSA-N 426.477 0.868 50 20 ICGD CC(C)(CCl)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810489087 GMFDCHLMPPJAAP-UHFFFAOYSA-N 435.916 0.922 50 20 ICGD CCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339831 QVHVPICUNWXXFL-AWEZNQCLSA-N 439.306 0.579 50 20 ICGD Cc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1816288365 JYPXYLZAKIOPSB-SFHVURJKSA-N 434.265 0.808 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)nn1 1816296972 UQUBOKCBKUNISC-INIZCTEOSA-N 436.237 0.205 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817478558 GEKZFPQOENNKHE-IBGZPJMESA-N 439.325 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(N)=O)[nH]n1 1818113597 RCWMKQKPIUKSFI-ZIFAQYRBSA-N 442.480 0.801 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819710525 RRKSRXADNHXUMV-WMLDXEAASA-N 443.334 0.622 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822440346 VNDCUSKTACRPRQ-UWVGGRQHSA-N 425.795 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829817955 LHPNZXWMQVAMBJ-SFHVURJKSA-N 435.525 0.773 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 1830723525 PBICZKUFQDAQCT-WFASDCNBSA-N 428.835 0.775 50 20 ICGD Cc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724643 AHHPZIBRCYCTOI-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831657630 PSNBDESFNRANGO-BEFAXECRSA-N 426.901 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1831837450 UJRCHPGJUYIBAD-CVEARBPZSA-N 425.913 0.785 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnc1 1833378972 ZOGSQKVYETVDFL-KRWDZBQOSA-N 447.584 0.389 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834570470 PGBDTEHCLHNCIV-UHFFFAOYSA-N 433.647 0.454 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834598190 ZZVKBEBSOGWAAK-SJCJKPOMSA-N 429.267 0.493 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836141012 LHUQGSOIPBPPFS-OAHLLOKOSA-N 425.917 0.209 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839142459 PQPLRXZNHHQZON-MGPUTAFESA-N 440.928 0.608 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839967237 GOXBOJKWIGUKHT-KBXCAEBGSA-N 433.343 0.921 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840150289 IRZCRRVNQOEODC-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445601 BYMAGBNGCGDRPR-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605878 DJGKJAFNCOCXQT-KAYRBKQESA-N 431.327 0.366 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1843416270 QTPZTJUOOBAZKY-BBRAPTODSA-N 438.492 0.614 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847564287 SQJSJUOLWFMIMU-WZFJYNIESA-N 431.917 0.160 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882838 CXHRZHODCZPPHD-DZGUVLCISA-N 440.508 0.577 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1OC 726282005 HSRCSQQHCNIGTK-OAQYLSRUSA-N 441.444 0.903 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)[nH]1 727351069 ZVOWHNQADVKJCL-UHFFFAOYSA-N 449.514 0.820 50 20 ICGD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728341479 ZBFIIWRFYSAWGX-RHSMWYFYSA-N 447.488 0.944 50 20 ICGD N#Cc1ccc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)nc1 728959764 PENWLPGYGANMPM-UHFFFAOYSA-N 435.492 0.523 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc2ncccc2c1 731342917 GBUCBJBASGNPNS-ZDUSSCGKSA-N 429.462 0.255 50 20 ICGD CC(C)(C)C(=O)NNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 731498985 DRXSZPLQRKWQRX-UHFFFAOYSA-N 426.524 0.785 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1C 733171756 WOYCSPGSYKOXBX-UHFFFAOYSA-N 431.478 0.044 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 734428370 PTXJMEUTXVOGDO-VNHYZAJKSA-N 428.898 0.377 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 741025536 GSUCWTNZXBTSSV-IYOUNJFTSA-N 426.539 0.818 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)Cn2ccc3ccccc32)C(=O)C1 741186432 CIBAKWXJLPYGPQ-UHFFFAOYSA-N 429.477 0.868 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(COc2ccccc2)o1 742482742 JGKGZQJURWBZAU-OHDICMOHSA-N 439.424 0.782 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 742489363 AYQHMQVVWQVNLY-GJZGRUSLSA-N 425.507 0.877 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)cs1 744395119 RWWAAICXBAJOPL-UHFFFAOYSA-N 448.530 0.091 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745988069 PRZVSXIHDQJIMK-KRWDZBQOSA-N 438.506 0.505 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747719518 REKKCWRXLDISDH-UHFFFAOYSA-N 441.444 0.179 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)NC(=O)NC1=O 748522175 ZOLWEZSIRQQEPC-LJQANCHMSA-N 430.442 0.220 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750289296 RHLGAFZCHYDRKX-UHFFFAOYSA-N 431.858 0.400 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ncccc2C)cc1[C@]1(C)NC(=O)NC1=O 751550941 LNFKSRXVLVRIFZ-SFHVURJKSA-N 433.446 0.077 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)c1ccnc(C(=O)NNC(=O)c2ncccc2C)c1 752228120 ULEQOLPFWBRHIQ-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753967741 OWQBXZATEIIXCP-GOEBONIOSA-N 440.522 0.609 50 20 ICGD CNC(=O)c1cccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 755514372 KPGURNGDIJXGNH-UHFFFAOYSA-N 433.490 0.828 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 756730499 TYBTWNCHRBVJDG-SJORKVTESA-N 440.522 0.609 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1 760967547 AVQYTAGHHBOARY-YOEHRIQHSA-N 431.493 0.933 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 762857155 UEZQNEFKGPQWLO-UHFFFAOYSA-N 431.497 0.647 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 763660114 XZWRZKLKJSWHCZ-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)C(=O)N1 763780722 DYIJVXNFMZWRJT-CYBMUJFWSA-N 440.481 0.842 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)cc1OC 763903788 UBTIGWXQCQHHGE-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 763919017 ORNHRFWRXBRKQR-UHFFFAOYSA-N 438.419 0.747 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763947904 DYQXCBDNUOMUKB-UHFFFAOYSA-N 447.415 0.262 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 764005259 WPGKHPJKUBDYQV-UHFFFAOYSA-N 448.237 0.163 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccc3ccccc23)c1 764035965 KDGAYDQQSLMJPW-UHFFFAOYSA-N 426.454 0.816 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764058363 GFJCPURVWRPXLM-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)n1 764153504 KXYGHGUAYHOLBQ-QGZVFWFLSA-N 434.387 0.973 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764244963 LKKMAIZWXXSLFQ-UHFFFAOYSA-N 448.439 0.479 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1S(N)(=O)=O 764259136 CUCQUZCHIACIMZ-UHFFFAOYSA-N 442.400 0.644 50 20 ICGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764260249 NCXMLZNCQFREGW-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 764267409 VGTCBWALNIGIRP-UHFFFAOYSA-N 441.492 0.909 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c(OCC(=O)N(C)C)c1 764320152 FGFUAVCOBLTIJO-UHFFFAOYSA-N 430.436 0.930 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 766260205 BIIJTYIKAMDRGB-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 769597841 SPMBHDCHDQDIFK-UHFFFAOYSA-N 427.446 0.277 50 20 ICGD COC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770328993 PTBAKTNQCHYVOB-CQSZACIVSA-N 428.511 0.005 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 770550374 ZZYMASMNYXWPHE-UHFFFAOYSA-N 428.511 0.797 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 770646709 GQAVUOMHCCVTMX-CYBMUJFWSA-N 439.900 0.517 50 20 ICGD CCNc1ncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 771016951 RDPPVTZEAOKZKT-UHFFFAOYSA-N 425.540 0.663 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 772140546 UXYNCTCIMPHLFD-GFCCVEGCSA-N 444.466 0.341 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 774620871 MQCZEUDDBSEBHV-UHFFFAOYSA-N 439.943 0.499 50 20 ICGD Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777777924 STNVETZPQVSHIG-UHFFFAOYSA-N 433.284 0.275 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778436004 BHPKAYQRMWIYAI-UHFFFAOYSA-N 436.494 0.915 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(OC)c(Br)cc1OC 780385019 ZHSOTPRRZMZNPW-UHFFFAOYSA-N 426.289 0.995 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 782002541 OXBICTAJZAJPSI-HOCLYGCPSA-N 438.893 0.249 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 784000048 SXUJQAUXWULTGA-UHFFFAOYSA-N 448.373 0.812 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)ccn3C)CC2)cc1 784444246 DUOFUSPURYARQN-UHFFFAOYSA-N 433.534 0.409 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789810495 PDBFRVSRRLOBQF-ICSRJNTNSA-N 438.484 0.976 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3cccc(F)c3[N+](=O)[O-])CC2=O)c1 791147671 GNYPMMHGMSHEQA-JTQLQIEISA-N 437.409 0.878 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(F)cc4nn[nH]c34)cc2)CC1 800520146 DHKBFKGZDJPDNN-UHFFFAOYSA-N 433.469 0.790 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNc3ncccc3F)cc2)CC1 807300328 KBQXFBZNSBOHQN-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 809957538 NHLWXBXTBVRTLA-OAHLLOKOSA-N 446.533 0.556 50 20 ICGD NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)ccc1F 915463294 XLXZAMDGUUJLFS-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 1317711811 JGHPUMWMPWMGKO-UHFFFAOYSA-N 441.469 0.814 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NC[C@H](O)CN2CCCC2=O)N(C)c2ccccc21 1324155714 KKYBGCUZPYVIHO-HNNXBMFYSA-N 425.489 0.757 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780492994 SMUAIVAQEITGDD-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783937010 CTUZILSENVSVBG-OAQYLSRUSA-N 434.541 0.093 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]3C2)o1 1783965279 GVVFPBXYKOJDLZ-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1784444207 HRQTUWNVEQXEPH-RHYQMDGZSA-N 430.354 0.098 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978814 YWLJLJLDDSUSBR-LAQRGFTBSA-N 436.264 0.395 50 20 ICGD CC1=CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786982997 KFDYRSHATTWEHV-GIUOSPMZSA-N 426.322 0.706 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1)n1cnnn1 1789523745 UHOBHXFYRKLIIL-CYBMUJFWSA-N 449.475 0.681 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921506 MTLNSWZFFONXFJ-XUXIUFHCSA-N 436.322 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790158367 NVKNUVUVPDANBJ-SDPXSBNPSA-N 428.869 0.651 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791284981 QUSKUHSVJIFNBX-MRHIQRDNSA-N 435.315 0.367 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCC3)[C@H]2C1 1791854681 GOUKVBILRUUEBY-RPIBGLMYSA-N 433.484 0.992 50 20 ICGD Cc1nnc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)s1 1796259588 ZRJFJXFGPIWNRX-CLLJXQQHSA-N 429.506 0.340 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1797183599 IYZNXHHDZPBINK-LORHWOILSA-N 435.908 0.222 50 20 ICGD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nc2ccccn12 1797361652 MQAONXCCEFIBQV-REPLKXPHSA-N 432.289 0.888 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)n1ccccc1=O 1797938197 YEEITYWDLPTGED-YMSVYLFOSA-N 426.311 0.782 50 20 ICGD O=C(O)c1cnncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350386 YGKSHUGSWDCMKH-IWXIMVSXSA-N 431.218 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccc(O)c1F 1799729348 MYTKYKCLQCPEPD-SLAYPKMVSA-N 440.447 0.247 50 20 ICGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1Cl 1801724031 MQPFBLUKXVQHAI-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cccnc1 1803135837 INTTVXRDLGBSFF-HHXXYDBFSA-N 445.907 0.512 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374688 JBQAJEWQUGDQJE-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1 1813068915 QTXYZCQRMMXPNH-RDTXWAMCSA-N 431.522 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815028518 LBKPMZWSSPOUHL-CQSZACIVSA-N 435.485 0.227 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccn2)n[nH]1 1816504498 SUGFUHLNHSZXPV-OAHLLOKOSA-N 435.448 0.818 50 20 ICGD Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)no1 1817235563 UESMZJFHHGWGEB-GXSJLCMTSA-N 441.897 0.980 50 20 ICGD CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)COC1 1819400377 GYDIFXPSLBPXQU-HNNXBMFYSA-N 427.465 0.751 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053253 HFUUGNSKLYXCNS-UWJYYQICSA-N 429.370 0.940 50 20 ICGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1829890450 FLPTZROYHYTYBZ-HXUWFJFHSA-N 427.618 0.636 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830359847 WOKOFBNDRATUKF-HXUWFJFHSA-N 428.961 0.990 50 20 ICGD CO[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccc1 1830723925 UWKZBQJVFLALHP-ABSDTBQOSA-N 426.897 0.430 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1F 1830736874 BWBIPBQLJBHKKP-BEFAXECRSA-N 430.860 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 1831875229 VWRFVBZMLUCIMO-LJQANCHMSA-N 449.596 0.992 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CN1 1834421524 LPLDEQSGQOHQGL-AWEZNQCLSA-N 443.386 0.869 50 20 ICGD CCOc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1 1836199982 CTKDYVGCULDRGW-KRWDZBQOSA-N 439.944 0.660 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1836995222 FWNYAVNSWAKAGU-SFHVURJKSA-N 429.876 0.835 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837381126 MQSJOBFEWXREPB-BEFAXECRSA-N 444.605 0.002 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839145249 ALTGHLVHPJQYGW-ZRGWGRIASA-N 425.917 0.751 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839518758 DNDMHLZMRWYNBI-KRWDZBQOSA-N 433.292 0.539 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)n[nH]c12 1839595696 OINKTFCCKAYHTJ-MGPUTAFESA-N 436.896 0.541 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839618699 TVOSXESSFAJNSA-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840099933 JWRFDUTWUCKDAE-UWJYYQICSA-N 438.908 0.888 50 20 ICGD O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840384308 XUXGXGLBQGYDIY-DOTOQJQBSA-N 447.305 0.810 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840429991 KFFRMAWDMWJFCF-CRAIPNDOSA-N 443.342 0.761 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605879 DJGKJAFNCOCXQT-PQHDGLIZSA-N 431.327 0.366 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840809046 JLUMLINFGAGPPZ-QFBILLFUSA-N 432.851 0.563 50 20 ICGD COc1cccc(CC(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)n1 1843415470 RKUDGAOJYIDXPH-MFKUBSTISA-N 438.488 0.970 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1843416240 NUTAFVWBZDAGRW-HYARGMPZSA-N 430.465 0.166 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc3nncn3c2)C1 1844087648 CPSLQNFNNGQKNV-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 17191580 VAHPPAGOIKSSGQ-CYBMUJFWSA-N 435.440 0.756 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 26693670 NAYOPUIGSNPRLO-UHFFFAOYSA-N 425.357 0.418 50 20 ICGD Cc1cc(C)nc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 29066382 ZLVXTQPAURKPOW-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 726076810 DQOKMJQUNAUDTP-UHFFFAOYSA-N 432.568 0.407 50 20 ICGD Cc1nc(C)c(CCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(O)n1 728213177 GAJJJICUAGPNIQ-UHFFFAOYSA-N 448.549 0.811 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728332642 LMWLCAOXGMHKBJ-YOEHRIQHSA-N 447.488 0.802 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728528181 AVGFNTXTGVIPFJ-UHFFFAOYSA-N 448.233 0.880 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCc1ccccc1O 730034517 XHZKICSEAQCVAO-UHFFFAOYSA-N 436.490 0.145 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)n1C[C@@H]1CCCO1 730569835 AGCHOBPXDNADFO-HNNXBMFYSA-N 434.522 0.319 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 731456973 COYSZONXGJZKFQ-UHFFFAOYSA-N 427.446 0.239 50 20 ICGD CCc1[nH]nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1[N+](=O)[O-] 731640054 DVXBBAGWDXJRRK-UHFFFAOYSA-N 438.466 0.986 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cnn(-c2ccccc2)c1 733108730 WZDCBYALRRVSON-UHFFFAOYSA-N 431.460 0.988 50 20 ICGD CO[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(F)(F)F 733661015 QSOALSKKQJWKOO-ZDUSSCGKSA-N 438.428 0.992 50 20 ICGD Cc1n[nH]c(C)c1C=NNC(=O)C[C@H](C(=O)NN=Cc1c(C)n[nH]c1C)N1CCOCC1 741766582 NBIRZKBXIJOPGJ-GOSISDBHSA-N 443.512 0.058 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744905849 RULBNCOEIDBSDE-UHFFFAOYSA-N 445.453 0.596 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745874878 GRBBOGDXYVPEKO-CYBMUJFWSA-N 425.392 0.392 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1OC 745919665 VKMFQHMSCJKOME-DOMZBBRYSA-N 430.465 0.965 50 20 ICGD O=C(NN=C(CO)c1ccc(F)cc1F)C(=O)NN=C(CO)c1ccc(F)cc1F 749604506 XNHQNBBUMNHYJL-UHFFFAOYSA-N 426.326 0.568 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ncn(CC(=O)N(C)C)n3)n[nH]2)cc1 756771480 XEOJJHYURKRNEZ-UHFFFAOYSA-N 425.453 0.785 50 20 ICGD C[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)n1nnnc1C(C)(C)C 758300896 PIZPZBHBGDPCMD-ZDUSSCGKSA-N 437.526 0.696 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccnn2C2CCCC2)c1 763719172 VVDMUFUFMNLYPV-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)cc2)C1 764363855 UYHGRDCOSZKPJD-ZDUSSCGKSA-N 448.505 0.240 50 20 ICGD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764431637 DVDPZYZWZBZLJS-HNNXBMFYSA-N 429.477 0.980 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-n2ccnc2C)cc1 764818235 QNPUPZUCGTUGKD-UHFFFAOYSA-N 434.460 0.468 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CCS(=O)CC3)CC2)cc1 764819264 QHSLWXJEXHMBTI-UHFFFAOYSA-N 426.564 0.316 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 765314132 UMNOGFOEUHQWFH-UHFFFAOYSA-N 446.512 0.793 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 765317858 XHAFCFUOFRSNIE-UHFFFAOYSA-N 440.478 0.283 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 767348139 UWDPHCVCLDBCHK-UHFFFAOYSA-N 435.440 0.827 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 767371795 BZAZXZKVWBVHEA-QFIPXVFZSA-N 438.440 0.597 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)nc21 770989492 HSEFTBMSOHSKAY-GFCCVEGCSA-N 435.448 0.941 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772967890 CGBKFVUKINNPOW-SAHSTKMBSA-N 435.864 0.807 50 20 ICGD COCCOc1ccccc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782893479 JAHGLFFBUGUBOQ-UHFFFAOYSA-N 425.445 0.927 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 782898017 WJAWITUSFPAIFW-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD CC[C@H](NCC(=O)NNC(=O)Cc1nc(C)cs1)c1cccc(S(N)(=O)=O)c1 782987921 PHKOMTMNSDATSR-AWEZNQCLSA-N 425.536 0.530 50 20 ICGD O=C(NNc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784784893 SQWFYEGQRPRQMI-UHFFFAOYSA-N 429.452 0.970 50 20 ICGD COc1ccc2nc(NNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)c(C)cc2c1 785163327 CTJFFECWSOTYOC-UHFFFAOYSA-N 449.471 0.965 50 20 ICGD CC(C)(O)CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 786702794 SGFGQTAWQDDQTH-UHFFFAOYSA-N 427.523 0.339 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 790391890 ORBWXPWSTNKDFN-UHFFFAOYSA-N 448.567 0.780 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc3ccccc3cc2O)n(C)c1=O 792520892 JMDQQWGIIZMBDP-UHFFFAOYSA-N 436.428 0.144 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 794987859 GNPVDCNJLAFYHD-UHFFFAOYSA-N 428.405 0.376 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 802489872 QWDSMIUWJKLTEA-UHFFFAOYSA-N 433.486 0.784 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 806979118 SMVZKFHUABDQRA-UHFFFAOYSA-N 437.456 0.804 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 814650716 WZFXGBVXPLCAFF-UHFFFAOYSA-N 430.512 0.327 50 20 ICGD CN1/C(=C/C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)c2ccccc21 867654317 JORIRHAMNGUMIS-KSHALPLNSA-N 435.488 0.847 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1OC 914708923 JRXXCCLQALDTAN-UHFFFAOYSA-N 439.446 0.393 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCNC(=O)c2cccnc2)nc1 916443858 WUMOJKWSNDTZKA-UHFFFAOYSA-N 435.510 0.563 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1 918690374 QFHZPADLRCYSIE-UHFFFAOYSA-N 446.595 0.878 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c2ccccc2c1=O 920275394 BRYBBJJZOCYSEG-UHFFFAOYSA-N 440.441 0.060 50 20 ICGD Cc1cccc2nc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cn12 1116085721 VVNVCSIYDOUICF-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CN(C)C(=O)c1cccc(CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1318900321 NNBIHPOZSLGKMH-UHFFFAOYSA-N 439.520 0.968 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777841149 XNJKRHHBFSDXPV-QFIPXVFZSA-N 446.504 0.274 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778236925 SSXICDIUVHHEBE-BXTJHSDWSA-N 445.944 0.673 50 20 ICGD Cc1onc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1C 1779029698 XEISQPLCPYGFIV-FQEVSTJZSA-N 428.449 0.047 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1F 1780618261 DUYNQVDIGNSCKA-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1[N+](=O)[O-] 1781302102 FUXGSZSNCDTBFA-APWZRJJASA-N 425.869 0.875 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)n1 1783534814 OZZLNEMLAQPUOR-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1783884038 ZLHKSJFFCLHHDQ-FZKQIMNGSA-N 425.848 0.566 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783980920 JTNUTDXTDQPYKF-SKDRFNHKSA-N 434.184 0.185 50 20 ICGD O=C(CCc1cccc(O)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784124606 YBYJAZWBZVKEJG-QHCPKHFHSA-N 438.289 0.148 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]21 1788607871 QMKZZEDERYDZQS-UVBJJODRSA-N 437.447 0.324 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788727929 UXMCTXXQCCDMCI-AICCOOGYSA-N 428.331 0.677 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)N1CCN(C)CC1 1789797337 IOYMGLLXNAXFRZ-YXMSTPNBSA-N 449.365 0.293 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922067 BIKYDJPHGBMTHJ-XDQVBPFNSA-N 433.322 0.938 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1791253495 DDQSHMQBJGIDPH-PCCRXHMLSA-N 441.956 0.621 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1COc2ccccc2O1 1796188294 MSWDGQHPTPOEOE-NYUBLWNDSA-N 436.273 0.458 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CCc2ccccc2[C@H]1O 1796189673 OAWHTJAKFJDMGK-XLGPZGCCSA-N 448.328 0.914 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796586312 AVUJMEULRVFXEF-XCCSTKFXSA-N 433.278 0.423 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797364981 GIMDSWNPEIJZFK-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)C1 1798439641 RKVYZANRACXYAD-GVRJEKJASA-N 443.504 0.526 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cc1F 1799565310 DWSFPEFEDUQVDA-KSPBDQMDSA-N 443.435 0.047 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800641555 DTSFAXDLXCXYTH-WYFGTUCQSA-N 430.259 0.695 50 20 ICGD CCOc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1OC 1800858844 YWVXNNZFAIFQRJ-QOIOWGMHSA-N 440.924 0.826 50 20 ICGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804094646 KEVMKFQYVQHVME-FZMZJTMJSA-N 428.276 0.443 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnn2C)[C@H]1c1cccnc1 1805723815 JBHNLUHTDAYRCT-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972193 DIROZTIZZOWHBE-KRWDZBQOSA-N 438.337 0.977 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293246 BHAUMQCKPZRMQU-CRAIPNDOSA-N 440.504 0.825 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1F)CC2)c1ccc(B(O)O)cc1 1815341251 UWNMIPTYZBCGKB-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475680 XIVJVNBUJMWYHJ-SCLBCKFNSA-N 441.297 0.262 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnn1 1817477085 LKVMKHQUCVSGRR-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccncc3F)sc2C1)c1cccc(B(O)O)c1 1817864313 VGBFQTOZLBOMBF-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cccn1 1822797326 BLRDQAJVGYAKCR-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825636417 UXYNZPVOKNQIFU-JGVFFNPUSA-N 444.311 0.390 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1 1827606934 CMEHKZNCXGQADJ-RDJZCZTQSA-N 437.965 0.871 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cnn1C 1830538248 ZHEIOFLRWVQCGB-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830539530 IBHZJMOXMZMTCG-ZBEGNZNMSA-N 432.271 0.481 50 20 ICGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830724319 FVVFVWZHNQYVDG-BEFAXECRSA-N 427.885 0.068 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739037 WYMCJRVLZBTXLU-UWJYYQICSA-N 438.908 0.681 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831826897 APBXYNBVOPYIAU-GJZGRUSLSA-N 428.917 0.412 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)on1 1832573506 OSUAGRWSDMRQKY-CXAGYDPISA-N 430.299 0.765 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)n(C)n1 1833439568 UGCWDJLUIADHDJ-LJQANCHMSA-N 428.917 0.764 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380818 IVUTWXMOZSIAOE-RHSMWYFYSA-N 429.315 0.371 50 20 ICGD Cc1c[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835165630 CTDZWDPDVQIAEC-UHFFFAOYSA-N 432.569 0.881 50 20 ICGD CC(C)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837909139 WEFMHIYJLRWROC-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839141977 AGRUWCJEIOTSQA-OXJNMPFZSA-N 438.912 0.285 50 20 ICGD O=C(c1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197529 AGJYZDUCJAOJGU-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1839963800 WQCZUADPNLZOPY-YOEHRIQHSA-N 437.331 0.279 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840153818 ZSMYYTGCRCAZAF-YWZLYKJASA-N 436.896 0.887 50 20 ICGD NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)c1ccccc1 1840187911 DTLVDTGPOHCAGI-BEFAXECRSA-N 430.332 0.989 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1840528946 AEAZXDIDRGIQCL-BSRJHKFKSA-N 444.337 0.263 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1)c1ccccc1F 1841352942 VZJSQCMUKYHAPF-QFBILLFUSA-N 425.888 0.980 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841888078 LLVCKMCEZJKTGO-HXUWFJFHSA-N 448.527 0.559 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1841924487 RZQOMBHYLVLAJM-LBPRGKRZSA-N 437.946 0.367 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1843416112 AJUMZJYSDNXSMZ-GLVJVNMESA-N 444.492 0.853 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845170447 RTUNBRLVSBBCJC-HNNXBMFYSA-N 426.366 0.852 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874338 VZOVUFAJXLMYQO-HZSPNIEDSA-N 442.969 0.387 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)CCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 23109091 RYHIYKYVHCAJSH-UHFFFAOYSA-N 431.470 0.717 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCOC(C)(C)C2)cc1 726262818 SHNIWOFOUSKHFZ-UHFFFAOYSA-N 441.554 0.057 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4cnnc4)cc3)cc2)CC1 728213877 FCGBNPFJUCMJAX-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1=O 728217192 BORZYDGQZFJEHU-UHFFFAOYSA-N 429.458 0.491 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 728848269 JQYRXXXHORSQOM-MRXNPFEDSA-N 438.488 0.902 50 20 ICGD CC(C)(C)OC(=O)[C@H]1CC(C(=O)NNC(=O)C(=O)N2CCCC2)=NN1c1ccccc1 728967433 LHRFFGMCOIRYHH-MRXNPFEDSA-N 429.477 0.733 50 20 ICGD CC(C)CN1C(=O)/C(=C/NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)NC1=S 728981884 JQBXXPIOBMLRAR-GXDHUFHOSA-N 431.522 0.097 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730322266 JWHFWHUWYPPVMQ-ZRVMKQEGSA-N 440.547 0.942 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1COc2ccccc2O1 730511694 BRQONLQXAOUYCJ-LIRRHRJNSA-N 439.424 0.798 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)COc1ccccc1O 730781909 BYJOXOYYJYEQOH-UHFFFAOYSA-N 432.458 0.437 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NNC(=O)CC)CC2)cc1 732195805 VGHMLEBOSXXPHI-AWEZNQCLSA-N 440.522 0.116 50 20 ICGD O=C(CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)NNC(=O)c1cccs1 732985263 NFFSLYHHJZMKDI-KRWDZBQOSA-N 427.530 0.932 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734241956 YGKSJCGHWYXSRP-UHFFFAOYSA-N 439.494 0.067 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C 737543579 GKANITBLIZMNRP-UHFFFAOYSA-N 433.371 0.617 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 744617375 LHJXUGMJVXJLJQ-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246348 JDBODPNYPIWDSX-UHFFFAOYSA-N 430.486 0.895 50 20 ICGD CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 750413354 PDJAAPIHIXLCNY-UHFFFAOYSA-N 425.850 0.944 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)ccc2O1 751549216 VUSIQMCDOKCYAA-OAHLLOKOSA-N 427.479 0.168 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 757886095 QOOKPOBMBPIUEL-GHMZBOCLSA-N 425.454 0.461 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(OC(F)(F)F)cc2)n(C)c1=O 761588128 FNPBOHZWLSABBH-UHFFFAOYSA-N 426.355 0.866 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 763680756 BGAJHNKKHOXCHR-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1OC(C)C 763916703 SPKFCTSELLFCII-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 763957657 INFFBQJFSWXFKL-HUUCEWRRSA-N 442.476 0.227 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764042446 KFRXJPPGXSROIF-UHFFFAOYSA-N 432.458 0.635 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 764086306 ZJHWYQBWKKZERG-UHFFFAOYSA-N 426.454 0.816 50 20 ICGD CCc1cccc(CC)c1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764515737 QNVUTUOORYXPQS-UHFFFAOYSA-N 443.533 0.576 50 20 ICGD CC[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 764590435 DPVBMGNHPMPDAL-QGZVFWFLSA-N 426.539 0.128 50 20 ICGD CC(C)C(=O)N1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 765734616 AJYPLPZINSWAOJ-UHFFFAOYSA-N 443.548 0.486 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccccc3F)CCCC2)n(C)c1=O 766638061 XBQYYLXSOKDQRI-UHFFFAOYSA-N 442.451 0.232 50 20 ICGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1cccc(Cl)c1 766870051 MWYJWVPJVQTVBL-UHFFFAOYSA-N 428.942 0.296 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 768258250 LXPCFLDARLPPQS-UHFFFAOYSA-N 432.502 0.331 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 770186377 KRCBRGHAIFYQRL-JTQLQIEISA-N 446.851 0.906 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NN=c1cc[nH]cc1 780759178 ANYOJKJDLYIBEB-DZXKJOIRSA-N 438.531 0.340 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccncc1 787543694 LKQLJOJPNVOAJG-ZDUSSCGKSA-N 432.458 0.703 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3NC(=O)O[C@@H]3C)c2)cc1 788630574 LEVJWNVFBZPALM-BZNIZROVSA-N 448.457 0.754 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2C1 789734565 DBERLPUXFYXVEW-ZJUUUORDSA-N 431.540 0.072 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NC(=O)OC(C)(C)C 792258544 NOALXUDDINCVIA-LLVKDONJSA-N 428.515 0.837 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1 801179641 YDKSNQBNRGUIRH-UHFFFAOYSA-N 438.437 0.785 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Nc1ccc(Cl)cc1 802018303 FTICUJDUSIOFHS-UHFFFAOYSA-N 439.837 0.748 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 806975715 LZTFMMAHMLSNSG-UHFFFAOYSA-N 434.836 0.822 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806989759 PMXQOPNNVHTQII-ZIAGYGMSSA-N 425.445 0.569 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2-c2ccccn2)cc1 809984155 WJAWAHMCQXWPLW-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccccc2)n1 810386920 XLUUYQASQBDWSR-GFCCVEGCSA-N 436.494 0.019 50 20 ICGD CCOC(=O)c1ccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 812720849 QMEZCEQLSXYZGA-UHFFFAOYSA-N 428.449 0.452 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 813033014 AJLNHWNSTDXNBO-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD COC[C@]1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN(C(=O)OC(C)(C)C)C1 813367922 POXBDURSJJPCDX-FQEVSTJZSA-N 445.480 0.697 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 825151117 WDRMDJNZWMGSDN-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N[C@H]1CCS(=O)(=O)C1 919889510 NNDGTOHWAOUDFE-ZDUSSCGKSA-N 448.501 0.746 50 20 ICGD O=C(NCC(=O)N1CCCc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 920045460 MKLDPOZKSHFQLR-UHFFFAOYSA-N 444.517 0.903 50 20 ICGD COCC(=O)NCCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1318548077 HDKIXGMPRWKMPG-UHFFFAOYSA-N 437.456 0.359 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1779296720 AURIGRVONKTDHH-HNNXBMFYSA-N 426.464 0.773 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 1780629689 SJXDCSDJXJRYDK-NRFANRHFSA-N 428.681 0.777 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@]1(F)Cl 1782291775 TZIJELMMCIFOTK-LNKGRISISA-N 438.692 0.418 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783341261 CIAISSOWCHEJPH-APWZRJJASA-N 445.402 0.627 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)cn3)C[C@@H]21)[C@@H](O)CCl 1784090335 ZPKZJDOKDRWBOP-UKJIMTQDSA-N 436.818 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21)[C@@H](O)CCl 1784097187 RXYUTLSTVYGTHQ-GQGQLFGLSA-N 443.859 0.856 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499158 VREHGXZRAOCDHN-QHZLYTNSSA-N 437.349 0.572 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789920843 ACDUYWPNVLJIFQ-WLJWBJLJSA-N 432.290 0.515 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C 1795339969 QCJJDKLQEXPYNL-FQLMCAECSA-N 433.933 0.697 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccoc13)C2)c1ccc(B(O)O)cc1 1795736309 XVXAXDNXENESJL-XEMDLRDOSA-N 434.257 0.630 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H](F)Br 1796185108 RZOLXNKBNMJLIY-NHRVJRKFSA-N 427.234 0.360 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCC2 1796796586 JBPBHMCGTPOBIG-CWPLJXCYSA-N 430.505 0.198 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2ncccc2c1 1796806401 QIZGXCRDQQPXQX-HATOLVCRSA-N 445.284 0.432 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799116832 JAEAVJAIQFKDAA-FSWGRJFZSA-N 444.536 0.052 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799327190 FHESMRGQLLHEHT-FAQVEIGNSA-N 445.495 0.202 50 20 ICGD C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(F)(F)F 1800550547 ZZWVZLGFQAJHGX-VUNLWGEISA-N 441.410 0.829 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3c(c1)OCO3)C2 1802333422 RLTCXZKFVZFJOP-BJWYYQGGSA-N 430.505 0.969 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2CC(O)C2)[C@@H]1c1cccnc1 1803044771 BLJWUWYCRKOQKQ-QAVIERHMSA-N 438.488 0.171 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803452447 OUGUAIDHXNWOIL-DYESRHJHSA-N 432.484 0.813 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1F 1808884453 PIMTVQFIQGNCCO-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)COC1 1812488444 BSVNDUUGSPXHIC-UYAOXDASSA-N 437.305 0.508 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1813071934 ZOMZPKVZUQQMBM-UWJYYQICSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1814268610 AMDXXJPBCVPVAF-CVDCTZTESA-N 444.580 0.946 50 20 ICGD CC(C)(C)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355034 ZWGQFEFRYSNOBY-CQSZACIVSA-N 430.339 0.437 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)nn1C 1815355460 SACPLNHWQHDFCS-CQSZACIVSA-N 439.306 0.404 50 20 ICGD Cn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816478143 MVUAUOONERIVIT-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799351 AZEUURPDFYRAOF-PWSUYJOCSA-N 444.517 0.983 50 20 ICGD N=C(N)SCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051422 YIRCHQZPHXMTII-GOSISDBHSA-N 446.382 0.616 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959271 FOEMXTGYEWPFSG-GLJUWKHASA-N 446.342 0.143 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1830539023 YXAGTFGDHBXGJD-KBXCAEBGSA-N 443.342 0.450 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830629744 FVRIAQVLMNTWPS-HSMVNMDESA-N 425.295 0.540 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830730607 BCDVDUFVHPZXOJ-PXNSSMCTSA-N 437.880 0.237 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1831108511 QSEYQRNLDYCNMI-LPHOPBHVSA-N 446.386 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 1831872441 XTZXHYNONBCAOD-IBGZPJMESA-N 431.537 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(CO)on2)CC1 1831874133 JMWLBERUARXFFX-SFHVURJKSA-N 435.525 0.773 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833213516 SNKWHSIGGOZHIE-OAHLLOKOSA-N 441.960 0.421 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1833447120 BIFPHQJOAJEMID-CJNGLKHVSA-N 449.277 0.189 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1834847917 AWBKXXRQOMVTID-CXAGYDPISA-N 435.315 0.427 50 20 ICGD CC(=O)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118233 JHZIBZZEXJEVQM-ZVHZXABRSA-N 430.509 0.281 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836856961 CWDZPPPNPZCNEG-KRWDZBQOSA-N 442.321 0.017 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837715627 BBPXXMZJQIBNJL-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD O=C(c1cccc(F)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837908238 RJOPMSLRUQIKTH-CZUORRHYSA-N 434.237 0.981 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839713366 HAOONAVGRKMFGE-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839965573 DAWAOWSAKZNKFZ-CXAGYDPISA-N 443.298 0.426 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840032254 SPGAQZKLXKLKKJ-SJCJKPOMSA-N 429.315 0.826 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)C(C)C 1840033656 MMVMFCXBKBRBQM-QIIPPGSGSA-N 449.342 0.814 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840036640 PRVXIODAUWKWIR-XQFNTFOASA-N 427.299 0.663 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840151774 NGTZAMREAZHGFO-UZLBHIALSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1840152197 ASLMCEBQRVJCNG-IIBYNOLFSA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840155383 ZUEVOKXIDKLRKY-JXFKEZNVSA-N 439.896 0.109 50 20 ICGD O=C(c1cnccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013614 PHBWPVOCSHEQSR-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2nnc(C)s2)C1 1843061974 JPMKFECJJFXZJF-CIAFOILYSA-N 429.506 0.726 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[S@](=O)c1ccccc1 1845779616 HCIUNFCOIJYOKK-DFYVNMARSA-N 434.562 0.759 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1=O 27199907 UTUHBJPKXPRPRX-ZDUSSCGKSA-N 428.420 0.937 50 20 ICGD CC(C)CN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728215363 YFHUNAHUBXONDE-MRXNPFEDSA-N 437.566 0.570 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c(OC)c1 729951909 YMGKBCZVJGLNLA-UHFFFAOYSA-N 433.417 0.660 50 20 ICGD CCOc1ccc(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735117892 IJPYOAOKZNQAFV-UHFFFAOYSA-N 449.533 0.939 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(N3CCCC3)nn2)CC1 735118325 RXVMDWBTOKWONE-UHFFFAOYSA-N 446.537 0.165 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744950477 MUSDRLZXMSESEC-UHFFFAOYSA-N 429.454 0.899 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 744960559 RYMIWXCKJONRMN-UHFFFAOYSA-N 425.792 0.805 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746164130 SOGFEOHIZFPLRD-TUAOUCFPSA-N 434.515 0.264 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNc3nccn(C)c3=O)c2c1 747941702 MNXXWJYTCNWUOA-UHFFFAOYSA-N 446.489 0.822 50 20 ICGD C[C@]1(c2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)NC(=O)NC1=O 748038942 SDFKFAACRQPLSP-HXUWFJFHSA-N 443.485 0.939 50 20 ICGD O=C(NNC(=O)c1cc(Br)c2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 748717464 OOYGZRUSULQBEU-SECBINFHSA-N 434.268 0.351 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 753481569 CDOFAWNTAZTHIE-LBPRGKRZSA-N 439.515 0.892 50 20 ICGD C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755291025 ZFHZOAMTKYRAKQ-QGZVFWFLSA-N 449.265 0.329 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccc(C(F)(F)F)cn2)n1 755665721 QXMVCHSSGWORQZ-SECBINFHSA-N 449.415 0.685 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 756796470 WQEHIZXDLJEJMB-UHFFFAOYSA-N 428.453 0.762 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 756836657 CIFJUHWOAAOJLM-GJZGRUSLSA-N 432.485 0.185 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 756964761 ICXTYRJOGSRCKI-VXGBXAGGSA-N 435.506 0.372 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 758523320 OKVHSJVEKNKEQY-UHFFFAOYSA-N 426.333 0.681 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)o1)c1csc(N2CCOCC2)n1 758940091 KKCNFWLZSVYJKQ-UHFFFAOYSA-N 437.297 0.959 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3Cc4ccccc4C3)nc2)CC1 763151694 NGMPKRKLPKEPJE-UHFFFAOYSA-N 430.534 0.811 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)n1 763892932 NRIOPPXDHZSFBV-NDEPHWFRSA-N 425.898 0.818 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 763918347 FOZAFFOLKXPBGZ-UHFFFAOYSA-N 425.413 0.838 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2OC)c2ccccc2O1 764011506 IBKQFBONPHHDPF-MRXNPFEDSA-N 446.847 0.650 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 764181336 BEZGVBGPLIGLOS-UHFFFAOYSA-N 426.385 0.762 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 764213476 YBGNUSKGQQECMK-UHFFFAOYSA-N 439.538 0.287 50 20 ICGD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227095 MCDXKOYNYGBQLF-UONOGXRCSA-N 439.538 0.397 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C(F)(F)F)ccc2F)n(C)c1=O 765732665 QORWPQDTXBKIAT-UHFFFAOYSA-N 442.329 0.053 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636565 QDQBAHJLTAOXNF-GOSISDBHSA-N 429.521 0.240 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 777765457 RJGYJEZBIYRFAA-UHFFFAOYSA-N 427.483 0.989 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 778720958 GAAQMVBTNFNHHH-JTQLQIEISA-N 427.408 0.925 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nccnc1Cl 784776188 FZIWJEAZGZOWBA-UHFFFAOYSA-N 441.901 0.528 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 785612183 HMQZVMVTOCBNAJ-FQEVSTJZSA-N 448.545 0.678 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 793493199 IYXUDVXNQYLROE-HXUWFJFHSA-N 440.460 0.249 50 20 ICGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 800317612 OXKVATMUFZMGSD-CQSZACIVSA-N 425.511 0.315 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(N2C(=O)CCC2=O)cc1 912852485 WKGMJYPUQRJTCX-UHFFFAOYSA-N 429.458 0.708 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 913055051 AIXMMHSDHPGQQN-UHFFFAOYSA-N 445.501 0.502 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1cccn1 918212829 UUKCUVCVWZASCZ-UHFFFAOYSA-N 435.506 0.074 50 20 ICGD COc1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1S(=O)(=O)N1CCOCC1 918364737 TUYNREULNRVUDD-UHFFFAOYSA-N 425.385 0.430 50 20 ICGD O=C(CSCC(=O)Nc1cccc(Br)c1)NNC(=O)CN1CCCC1=O 920432704 HELBJSOZLPJSBS-UHFFFAOYSA-N 443.323 0.891 50 20 ICGD COc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 921159889 HMQZJYKPWRCQEZ-UHFFFAOYSA-N 444.469 0.848 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1 1248393452 YWNSFHUORQINOB-UHFFFAOYSA-N 425.850 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(F)(F)Cl)C1 1782347429 MCQNXVVRYZEPFZ-CXAGYDPISA-N 445.854 0.644 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784389630 IZSDWIGRXNKLBH-SPCJURDBSA-N 438.908 0.796 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1784518870 VQDKTXDXEQSQST-GOMWODOQSA-N 441.492 0.408 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786033651 XBEXUXMOHRKBAU-NGTHKXITSA-N 441.492 0.147 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984793 KJDPXEVZVJDRKD-GKCIPKSASA-N 444.243 0.552 50 20 ICGD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789679360 ZYSWSLTXHSMGLB-SJWGOKEGSA-N 441.887 0.734 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792983621 RPDOBAJVCZRGDR-IATJYDTKSA-N 445.944 0.479 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(F)(F)C1)C2 1797748242 MPWTZGWSQASVGG-NFFDBFGFSA-N 437.447 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncccc13)C2 1801011696 ZZKWLIPGXHAXHG-MFKICJERSA-N 439.516 0.811 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1802272797 GJSAAJRBQISENX-DKBOKBLXSA-N 438.912 0.885 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803819425 CSZPQYZFJLRDCW-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1804195084 SQVGIYZEJHTMTK-USXIJHARSA-N 446.932 0.352 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)nn1C 1807365597 YYSFQDOHULGEAB-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367855 NMGCBEKWBILIQS-NQIIRXRSSA-N 437.305 0.386 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@H]2F)[C@H]1c1cccnc1 1807829883 UCTPSMFEZQICMQ-OXXUSNJHSA-N 426.452 0.758 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@H]2c2cccnc2)CC1 1809669678 VLQZZHYXWKGKJQ-YTQUADARSA-N 439.919 0.786 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1810301625 ARDUXMZQJGINIO-RCBQFDQVSA-N 434.859 0.934 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1O 1810659496 FCGHZYHGILPPLK-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1810868762 JFZHIFXBTFKQIQ-UYAOXDASSA-N 448.288 1.000 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1813028961 ZTFXGAOZOBYGPE-INMHGKMJSA-N 431.942 0.776 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073426 MJUHDTWNRDTBKH-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1813171638 BUUOYSRDKXTRAT-AUUYWEPGSA-N 449.305 0.797 50 20 ICGD Cn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339581 HZPNLBDMVSOKIR-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817472502 NBWUFTDNGFKYCE-VQIMIIECSA-N 439.325 0.737 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN)CC2)NC(=O)NCc1ccccc1 1822517886 AWVSIRVDPQLLQL-AWEZNQCLSA-N 445.549 0.360 50 20 ICGD O=C(CN1CCOC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055927 OGJRVFNSVWCZCA-LJQANCHMSA-N 443.309 0.052 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830538326 BWZMLQIZNZDMMM-PMUMKWKESA-N 448.358 0.341 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(=O)C2)CC1 1832815028 XLCWOXKOYHBWMB-LJQANCHMSA-N 427.505 0.898 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572470 KAHYGWWCKYLWLD-UGSOOPFHSA-N 430.864 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790291 OUMHIPHIZQOONP-CXAGYDPISA-N 433.292 0.454 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1834819407 OAXVIDAZBGRFHX-INIZCTEOSA-N 429.271 0.037 50 20 ICGD O=C(CC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935010 BVDJISUCDZWLAK-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC=CCC1 1835940120 UVIACJKJPKNLEI-PKTZIBPZSA-N 442.321 0.183 50 20 ICGD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1836713515 FYYABGOHTOFZKZ-SFHVURJKSA-N 426.945 0.869 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838358012 PWEGVVFOIMULJQ-CVEARBPZSA-N 449.932 0.303 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031110 FYHAINRGWBELCH-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840032264 SWVOOJNHLAJCFT-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840151740 MWKLVFFHBLOVRG-PXNSSMCTSA-N 425.913 0.724 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840189558 YHYFBJNFIOXCFH-TYILLQQXSA-N 448.347 0.648 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784232 MYFIRYVXBBMUGM-JXFKEZNVSA-N 444.887 0.642 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938334 OEHZNWZVPKNBPN-QFBILLFUSA-N 446.386 0.960 50 20 ICGD COc1ccc2c(CC(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c[nH]c2c1 1843012721 IKMWJZZEFCANJG-UHFFFAOYSA-N 447.300 0.916 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014307 WKJOGAAXHGGXSN-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844211166 KPZJPJBHVHMMLZ-UHFFFAOYSA-N 428.323 0.148 50 20 ICGD COC(C)(C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038290 NFPRQZMRKMKLAS-UHFFFAOYSA-N 431.537 0.961 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)ccc1[N+](=O)[O-] 1846386139 FZBYMOOVTVPQED-UHFFFAOYSA-N 433.465 0.793 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(-n2cnnn2)cc1 105008445 VNJCSETZSUNFOX-UHFFFAOYSA-N 438.404 0.482 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccc2c(c1)OCCO2 105283081 FPKOPXCDJBWNBJ-JOCHJYFZSA-N 436.424 0.612 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCCN2CCS(=O)(=O)CC2)N(C)c2ccccc21 726939963 ZUQKPYSJZLYABN-UHFFFAOYSA-N 445.545 0.504 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1nc2ncc(Br)cn2n1 728846029 KPVWIHXYZGXGDQ-UHFFFAOYSA-N 446.269 0.354 50 20 ICGD CCN(C)C(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 729124385 ARPVJQATKQGLEU-SFHVURJKSA-N 441.440 0.923 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 730777870 GEEUFRUGAWFVQC-UHFFFAOYSA-N 435.458 0.253 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 731405790 OGSBSPSTLWYXKB-UHFFFAOYSA-N 428.468 0.833 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 732261151 BAOUVFVGTREJKB-BFYDXBDKSA-N 446.504 0.667 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 733516170 JTLLIWRQLXLWGA-QGZVFWFLSA-N 426.408 0.909 50 20 ICGD CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 742470979 ZEUKWVFILATABK-DYVFJYSZSA-N 448.501 0.967 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 744457265 NKJWGNKUASDRLT-UHFFFAOYSA-N 428.401 0.946 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744472400 CBBIQFAFEGQFDU-UHFFFAOYSA-N 430.442 0.427 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 747421411 GIHQJDQPAPFKMD-UHFFFAOYSA-N 431.474 0.961 50 20 ICGD CSCCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 752735053 TXGANODJUODRBD-UHFFFAOYSA-N 446.620 0.498 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc3ccc(=O)oc3c2)n1 752855778 AUHZHVRDLMSGKM-UHFFFAOYSA-N 431.426 0.870 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3ccc(C(N)=O)cc3)cc2)CC1 754207390 NHVLLOZOIPDTPI-UHFFFAOYSA-N 431.518 0.407 50 20 ICGD COc1cccc(-c2noc(SCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c1 755140492 DYNOYHCLZAFBQX-NSHDSACASA-N 441.491 0.355 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@@]12CCCO2 759212038 VDZNCRIOTZWNKZ-LBTNJELSSA-N 425.511 0.650 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763682642 YLWXYAODQSVJLZ-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1S(=O)(=O)N(CC)CC 763816764 ORGVKWMMWJIODP-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1ccccc1 763920749 CIRAWYTWEADRFN-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1F 764268085 DYDDFTQYGIBAAI-UHFFFAOYSA-N 426.412 0.784 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(OC)c(OC)c1 764276039 XCGIPUMFLNHVRW-UHFFFAOYSA-N 447.400 0.361 50 20 ICGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)ccc3O)cc2N1 764279085 YELQYTHWVLLLKX-UHFFFAOYSA-N 449.217 0.885 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 764299319 GCTANQBMSALSRO-UHFFFAOYSA-N 426.495 0.372 50 20 ICGD COc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765118639 OWQKKXJSYRMADJ-UHFFFAOYSA-N 432.502 0.463 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cccc(F)c1F 765119324 UMWTVRILVWGKHU-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)n[nH]1 765598591 BVALAHHSZSHWAB-UHFFFAOYSA-N 426.433 0.711 50 20 ICGD COc1ncnc(OC)c1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766661828 ZHJDFLNCPKTHQJ-UHFFFAOYSA-N 448.911 0.726 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n[nH]1 768274174 PMBSIAUJCSGUOL-SFHVURJKSA-N 447.455 0.967 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc([N+](=O)[O-])cnc3O)CC2)cc1 768291202 OHEYVOUWLMEEKL-UHFFFAOYSA-N 428.449 0.583 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CSc1nnnn1CC(F)(F)F 768634066 CPSVDQYUUKJPQF-UHFFFAOYSA-N 440.429 0.883 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 770239237 IRCULLRZGYXLEH-CYBMUJFWSA-N 443.620 0.998 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 772075968 OQQHMRRBEVDTLK-UAGQMJEPSA-N 435.477 0.884 50 20 ICGD C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 776226589 GXADVQVCHRXTOS-QZTJIDSGSA-N 434.518 0.986 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cc2ccccc2[nH]1 777839080 ZBNUMWRQUOQQHT-UHFFFAOYSA-N 443.323 0.724 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1 782148399 RAPFVSGFEDHDFV-LBPRGKRZSA-N 429.433 0.853 50 20 ICGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NN=c2cc[nH]cc2)c(OC)c1 783379181 XNCQUWQTQHXYJW-UHFFFAOYSA-N 426.433 0.856 50 20 ICGD O=C(NNc1ccccn1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 784796150 IKMOHHBYUZMVNQ-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cn(Cc3noc(C)n3)nn2)cc1C 787158079 WQCZTUHFENFJMB-UHFFFAOYSA-N 433.450 0.568 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 789757436 NMMMPUFAZFBAAJ-UHFFFAOYSA-N 443.485 0.728 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 790952605 SDBYEQLWROYQOI-CYBMUJFWSA-N 431.449 0.488 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)c2ccccc2c1=O 792395715 XRBVNXLVTPOWMO-UHFFFAOYSA-N 445.461 0.186 50 20 ICGD CS(=O)(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 794263054 HWZQFSYKSQWUFT-HNNXBMFYSA-N 434.426 0.234 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN(C)S(=O)(=O)c1ccccc1 795178131 WQIHRYVSKXEHPX-UHFFFAOYSA-N 426.520 0.701 50 20 ICGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1OC 795311271 ISWOEAHABCEIBR-UHFFFAOYSA-N 444.853 0.041 50 20 ICGD COC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c(OC)c1 802881213 GQZIPWYPRJRFKA-UHFFFAOYSA-N 433.446 0.780 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 814708816 RVQGPQKDYHVCMI-KDURUIRLSA-N 439.516 0.297 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 814737215 YPOMWCQBXNOYLQ-BETUJISGSA-N 433.490 0.000 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cnn(-c2ccccc2Cl)c1 815691101 FHNXUHTZAAPKLL-NSHDSACASA-N 428.840 0.466 50 20 ICGD CN(C)S(=O)(=O)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 816828965 WMSBGOIDSYEPKC-UHFFFAOYSA-N 443.489 0.091 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 915686451 YYYAHTSHMWTENK-STQMWFEESA-N 447.435 0.636 50 20 ICGD COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1OCC(=O)NC(C)C 916041120 OMPIYFGRAOGQRV-HNNXBMFYSA-N 427.523 0.705 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2=O 916524222 VTYAUJPNLOLPIS-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H](C)OC)N(S(C)(=O)=O)CC2 917767995 SZUZACNUXWTLTH-SMDDNHRTSA-N 429.495 0.135 50 20 ICGD O=C(Cn1c(SC(F)F)nc2ccccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885698 QOQJTUXILPHLCB-VIFPVBQESA-N 433.462 0.869 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]cc(Cl)c2=O)CC1 1116945623 URWQSFWNTBGCMZ-UHFFFAOYSA-N 426.886 0.116 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1781233152 QBDHYFOVHXNWDV-UHOFOFEASA-N 427.350 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cnccn1)C2 1782214058 LOQCWBNADPBSGY-ZJHAOYMUSA-N 444.536 0.377 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783532046 IBQJZRNCBLVYCH-DIFFPNOSSA-N 425.283 0.407 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1783578745 YNCHICCAKRPFDR-CHUNWDLHSA-N 432.359 0.912 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586289 XBOONWYGGIYYLC-CWHUGSJWSA-N 443.504 0.518 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1783874647 ABJUEOPTZYAHCM-ADLMAVQZSA-N 439.925 0.971 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783943411 XYGIXOXNDHZNEL-NSHDSACASA-N 425.162 0.975 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C[C@@H]21)[C@H](O)CCl 1784084441 RIJKNXSAKILLSM-YJRKBHOFSA-N 427.841 0.780 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785930896 WEHHYHLQFZGBBE-SAVYNJCVSA-N 439.476 0.204 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786975072 MNCHDVJLQAHBOM-ABHRYQDASA-N 436.900 0.418 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)c1ccco1 1789922701 OJUWZPXWSAQXAP-TZQJONAQSA-N 446.273 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]c4nccc3-4)C[C@@H]21 1791289059 GWRBSCXKOGEXQE-WBAXXEDZSA-N 442.520 0.481 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791295536 LOHYCXAQMZWWNF-KHJOHRTRSA-N 444.319 0.904 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(B(O)O)cc1 1792473384 HMLHUMJSFGGZNF-REPLKXPHSA-N 437.261 0.769 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)C2)[C@@H](O)CCl 1792979765 GANFOMCOBHHPJZ-HIRMHNASSA-N 446.891 0.652 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983383 JUXGUDAKXXZCNT-HLPPOEQASA-N 433.933 0.481 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)n(-c2cccc(=O)n2C)n1 1793109931 ISEBKTKTMYEDEV-IVSAIRAKSA-N 447.923 0.731 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N(C)C)NC(=O)NCc1ccccc1 1795902528 DYSZZEDXMQANCX-BCDXTJNWSA-N 444.536 0.059 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192219 SRIASVNJMJUPNG-TVFZMDHNSA-N 442.321 0.598 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796861874 MGQGFZDZUBGURK-FQUUOJAGSA-N 443.533 0.894 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCc1[nH]cnc1C 1797664376 LYALICLNDBQRCD-UMPJEAMMSA-N 430.958 0.795 50 20 ICGD CCOc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798829917 NBWOKHZRMJAUMM-UPHUGPLXSA-N 438.289 0.282 50 20 ICGD C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800544808 ZMJJJVUEYCZZMF-CDKNRDMASA-N 437.447 0.921 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363336 DDZLFMJCDUIRCB-YSIASYRMSA-N 439.321 0.488 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978639 FYPUFITWPIABPN-KRWDZBQOSA-N 439.325 0.139 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813033356 MFPUOUSZDXGGHM-AIUZKBQUSA-N 441.912 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1813072273 DIKXBVSAEHQIBQ-FOIQADDNSA-N 444.492 0.255 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817474872 GWJBOHVHBDXSQQ-GOSISDBHSA-N 425.298 0.491 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827056305 VOLDGIRBSSOFMB-UYAOXDASSA-N 441.337 0.126 50 20 ICGD O=C(O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060286 FSPWFMNNMISMEW-SFHVURJKSA-N 448.350 0.418 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc[nH]n2)CC1 1828923893 DPPUHHMUTQHVJH-IBGZPJMESA-N 439.520 0.884 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1830538310 BNXXIMGXBIEQOZ-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830724178 WDLBIWRBCVQXOV-XLIONFOSSA-N 426.897 0.294 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831697156 QKGQWEPZESIQON-ACJLOTCBSA-N 448.358 0.389 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831699327 IAZNBYQIIHKHHN-SIYDEPHESA-N 440.846 0.775 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1ccc[nH]1 1832879039 MZZFJAFYYHKPSR-MAUKXSAKSA-N 430.864 0.125 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903924 NEYMAXHWFSCYIJ-UGSOOPFHSA-N 430.889 0.064 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834163339 FBEPJIFWOBQQRX-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD Cc1ncoc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834258907 UYLQYGJODMXQKS-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD O=C(Cc1ccc(F)cn1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834835136 MEAYEFIHRGJBIL-GOSISDBHSA-N 426.920 0.935 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837647533 NBIZTPAFVSVWQR-DVOMOZLQSA-N 448.293 0.061 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1Cl 1837715189 BQZUECWMXOPHPE-GOSISDBHSA-N 444.992 0.995 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cncn1 1837717651 LLFICONYVVDDFI-YJBOKZPZSA-N 425.562 0.147 50 20 ICGD CCOCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395380 KHDJMVFINIAAFD-UHFFFAOYSA-N 447.536 0.724 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838534537 ORAARAIGIXDHSG-WMLDXEAASA-N 446.273 0.146 50 20 ICGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152385 XYGATJWJQXAFLE-SJORKVTESA-N 427.325 0.342 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540461 FVEIHPMRCUHUNA-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839802098 LTWFZLLOUHODMS-APWZRJJASA-N 440.338 0.408 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1840151814 OCQUUTHWEPBQGJ-SUMWQHHRSA-N 432.930 0.099 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384666 FYJDVTUEZYJDFW-FQEVSTJZSA-N 438.601 0.971 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939539 JDUAABZPNHOWJJ-HXUWFJFHSA-N 427.618 0.780 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnn1-c1ccccc1 728333527 YVOWIXHYTZOONU-QGZVFWFLSA-N 437.412 0.720 50 20 ICGD COc1cc(OC)c(N)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728343462 RHRFPGBNMOHTCE-MRXNPFEDSA-N 431.401 0.430 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)s1 728851846 YLJLHFVTASTUMW-UHFFFAOYSA-N 438.469 0.546 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 729229715 FASKKHLEPQSGPN-UHFFFAOYSA-N 440.504 0.865 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c2ccccc2c1=O 729282058 WVGZTQOVNASTML-FQEVSTJZSA-N 435.484 0.893 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)S(=O)(=O)c1ccc(F)cc1 729299320 OQJGWZZMUYEOHN-LBPRGKRZSA-N 432.437 0.815 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 731491503 OABREWZDOFMNLJ-NRFANRHFSA-N 426.429 0.932 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 732261153 BAOUVFVGTREJKB-INMHGKMJSA-N 446.504 0.667 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NC1CCCC1 744053247 LXMLATVVJUCASM-INIZCTEOSA-N 440.522 0.989 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)s1 746092895 HQDDOKWDVAFNEF-UHFFFAOYSA-N 428.492 0.334 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325929 KSWUNAYAOMZOPN-GFCCVEGCSA-N 425.442 0.297 50 20 ICGD Cc1nnc(NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)nc1O 747470695 ZNHOORFPXXJNGB-SFHVURJKSA-N 447.455 0.842 50 20 ICGD N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 750040157 TXJQAKRDLFPYCI-GQLZZVGYSA-N 440.503 0.594 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 751267324 QFKAWJZSZARSKC-UHFFFAOYSA-N 438.473 0.745 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)c2ccccc2c1=O 751549412 XJMIIRIICFBFMH-UHFFFAOYSA-N 443.485 0.755 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)nc1 753669081 JKDMYDVRZAQDGU-CYBMUJFWSA-N 448.571 0.020 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n([C@H]2CCS(=O)(=O)C2)n1 755534018 NPXGDFALNGSXTP-WFASDCNBSA-N 435.462 0.544 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 756496165 VQTKCYMQPKIEFH-OCCSQVGLSA-N 445.519 0.227 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n1 756771523 XQWDAPZYSBURPN-UHFFFAOYSA-N 429.359 0.617 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 757913465 WMVAWWRYALEMSD-ZIAGYGMSSA-N 431.497 0.503 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)C(=O)Nc1ccccn1 758841874 XDSRGSWYHLWUBJ-MRXNPFEDSA-N 426.408 0.535 50 20 ICGD CC(C)N1CCN(C2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 761125548 ZLDIUJOLAGYTKG-UHFFFAOYSA-N 432.525 0.846 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1N1CCOC1=O 763557628 CGBGPIICGLJECM-UHFFFAOYSA-N 442.384 0.780 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cccc(C)c2)c2ccccc2O1 763618458 AMFVQFMLOXJDSX-KRWDZBQOSA-N 426.429 0.061 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1NS(C)(=O)=O 763681084 JTNKZCKCLKGVRW-UHFFFAOYSA-N 445.457 0.403 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 763685576 XYAMMXQLQIVHHR-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763814457 PVBUVZRPZMDFPR-UHFFFAOYSA-N 447.517 0.491 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1OC 763900329 IKVUVUABEUMSGJ-UHFFFAOYSA-N 439.432 0.778 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1C 764002826 STVOWZNGYHHGFO-ZDUSSCGKSA-N 436.515 0.948 50 20 ICGD CCN(C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1)c1ccccc1 764202789 AZPVIWMDDLTRFY-UHFFFAOYSA-N 425.489 0.930 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 764396700 AMHPFKHXIBKASI-VIFPVBQESA-N 445.354 0.893 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 765119319 OFQQXGVNRKNIFG-UHFFFAOYSA-N 448.936 0.734 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 767483800 KZVWNJMRMDXWOA-CQSZACIVSA-N 426.491 0.210 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1 768231742 HRZYMBZVLUWIRX-UHFFFAOYSA-N 446.427 0.576 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1)NC(=O)CC2 768233841 OGIJGXNBGUXFSK-UHFFFAOYSA-N 437.412 0.616 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ncn(-c4ccccc4)n3)cc2)CC1 768393094 NDDPEMBQBOHSOK-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(O)c1 769720718 VGNDDZVTPCNJOJ-LLVKDONJSA-N 428.467 0.870 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCN(CC(=O)N(C)C)CC1 770523258 NGZWDOBXLLMWAQ-ZDUSSCGKSA-N 425.917 0.990 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1c[nH]c2ccc(I)cc2c1=O 772617233 NBEDKLSNXVPRMR-UHFFFAOYSA-N 442.213 0.819 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)cc1F 773890664 YTSNXADACCCRAH-UHFFFAOYSA-N 440.428 0.923 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 777940960 POLKTXNLXDOYCE-UHFFFAOYSA-N 440.475 0.031 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(F)cc1F 782893865 NKEJPWVJLHQRQP-UHFFFAOYSA-N 445.382 0.967 50 20 ICGD Cc1nc(-c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)no1 784004636 ZGYCWZZVAZKQHY-UHFFFAOYSA-N 428.430 0.622 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1C(F)(F)F 784231943 LAGVQSQDBTWLSX-UHFFFAOYSA-N 448.361 0.874 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)cc21 789813461 UGCQCZHEQHAHLS-KXBFYZLASA-N 438.440 0.700 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 790063399 JDOAGRKYVKSIEL-IBGZPJMESA-N 436.465 0.399 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2cccc(C)n2)cc1 793104454 RQHWTBZTDMHWLP-UHFFFAOYSA-N 434.474 0.622 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c(OC)cc1Cl 802080396 VGTJZZBAAOBXMG-LLVKDONJSA-N 427.889 0.920 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(OC(F)F)nc1 802566634 YVGBTONTUYGMHM-UHFFFAOYSA-N 432.343 0.974 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 807136827 BAQWOQKNEICJSB-CYBMUJFWSA-N 435.550 0.896 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2nnn(-c3ccn(C)n3)c2C)c2ccccc2c1=O 814364819 PIZNHFHSYAIPQP-UHFFFAOYSA-N 435.448 0.504 50 20 ICGD O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 815727674 GXUCNUKFECPJJK-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc2)C1 864231780 SFKCEEYDYWVIOQ-QLFBSQMISA-N 430.357 0.591 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C)c1=O 913412996 GTOHGGGIKJEYGY-UHFFFAOYSA-N 441.326 0.504 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c2ccccc2c1=O 913597143 WXZYVTXKXJNYEY-UHFFFAOYSA-N 447.448 0.668 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(C)cc1O 918340886 GFAJQHTUGFXSPP-UHFFFAOYSA-N 449.485 0.805 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)c(C)c1 920826860 UIKBAPFXYLSRFM-UHFFFAOYSA-N 436.534 0.474 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cncn1-c1ccccc1 1252821849 GTWFNJYXULYEAY-LBTBCDHLSA-N 434.456 0.623 50 20 ICGD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C 1339128149 LNYNNRVJVDKHFO-YGTIUHBDSA-N 449.529 0.990 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1779035775 OTEMJGOUUKUQES-FQEVSTJZSA-N 433.534 0.272 50 20 ICGD O=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CCN1 1780776735 FNKSTWCZUPJXEL-GMIGKAJZSA-N 434.306 0.717 50 20 ICGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)NCc1ccccc1 1780970110 SBVBDMOIGYHTPV-QFIPXVFZSA-N 442.520 0.466 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1782488295 ORHZPYSAYQRXQI-QHCPKHFHSA-N 448.288 0.080 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783355408 QQEZCOHXMFMBKZ-BLLLJJGKSA-N 435.388 0.474 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3COc4ccccc4O3)C[C@@H]21)[C@H](O)CCl 1784086156 VNMHUSTWHFUXND-ZAHIEGGZSA-N 438.908 0.796 50 20 ICGD COc1cccc(OC)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092382 IBNMMLXOYRFYDN-ZJOBFFGXSA-N 426.897 0.897 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CCc2ccccc2[C@@H]1O 1784150308 VUALUEJVYDXEDJ-CYQMMEFHSA-N 436.936 0.862 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407736 QCMCSRKYWOZFRP-NEULZYRMSA-N 435.315 0.367 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(C)o1 1786979419 GNQLPCMXRPYVRP-VDGAXYAQSA-N 426.278 0.483 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1788545845 URJMLDHIGYQENE-MRXNPFEDSA-N 432.525 0.940 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1789859438 BPZRXKUUVKKMDS-XSLAGTTESA-N 428.961 0.148 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1789860314 OSUSPOOYDYHAPY-ORWNZLQRSA-N 430.958 0.786 50 20 ICGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791307559 NUDXXPZSPPZEJQ-IEECTRCBSA-N 427.336 0.771 50 20 ICGD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792118056 RNKBTFPYPCRGPI-FJIDUMEYSA-N 437.924 0.386 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794483534 DLIRKAGQKLLROA-FVCICTRLSA-N 436.488 0.002 50 20 ICGD CC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n[nH]1 1794901424 GXNULUUTIYUVPE-LSOZKBPJSA-N 439.476 0.998 50 20 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CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805901881 ZCIHGYNOPHFWAT-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364565 FWIHOCCFIIPXNF-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369543 NNYYOERVZOYRGR-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(Cc1ccncc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807494584 ONYQMYZCASWZIZ-REWPJTCUSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)[C@@H](F)Cl 1808310422 RNHDNVPKKHSNLY-LEWSCRJBSA-N 434.819 0.062 50 20 ICGD O=C(Cc1cscn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339635 LCQIDPXBWMFESP-CYBMUJFWSA-N 442.331 0.748 50 20 ICGD N[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccccn1 1817331393 FSLVBWHGCZFOGN-ICSRJNTNSA-N 448.292 0.490 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)[nH]1 1819793579 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NJDIJIVKCBHCRK-SFHVURJKSA-N 425.961 0.442 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400733 LASABUKJKCXKAB-SJKOYZFVSA-N 445.314 0.227 50 20 ICGD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833967787 KYBJLRQYBXXSNU-OAHLLOKOSA-N 425.917 0.270 50 20 ICGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)n1 1834088672 IAUQXXRMTOYMEN-CYBMUJFWSA-N 431.310 0.691 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797959 PSVZZJFVLCHJGE-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cscn3)CC2)CC1)c1cccc(B(O)O)c1 1834800938 BQYCYPOCXMVMPY-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826813 XAVKIDGIXCVGNG-GOSISDBHSA-N 443.342 0.905 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1)[C@H](F)Cl 1835079442 XMFWLCYBHKLNGU-SFHVURJKSA-N 428.892 0.408 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835125422 QOHRUNBJFZRFDK-KSSFIOAISA-N 430.977 0.679 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)s1 1836084718 PXCQGTRCAONZMS-MEDUHNTESA-N 447.355 0.629 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837374787 JSIMQXGGOJBJJO-ZRGWGRIASA-N 432.949 0.558 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839143360 UNDBJZZRLPESCT-KUHUBIRLSA-N 426.901 0.474 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150205 FOEPIURJXKLYIA-QZTJIDSGSA-N 438.352 0.548 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840032168 PKSOLJLVXQBUAD-WBMJQRKESA-N 449.733 0.776 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152295 DVJDPUBVDKIZAI-KBXCAEBGSA-N 431.873 0.145 50 20 ICGD O=C(c1ccncc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011197 BGMKDSPNMLEGDR-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1843415214 YRXSAUOHIJQZPZ-HVGZKEQUSA-N 443.504 0.913 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847067829 NKZKHZQQLIXVMH-UHFFFAOYSA-N 445.325 0.488 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 14907261 HIVVYGDDXSZSON-UHFFFAOYSA-N 434.430 0.691 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)C2=O)cc1 17194465 DZSGTPFZTBQUIG-QFIPXVFZSA-N 448.439 0.460 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882855 DRKCHCDHSXMNAN-WOJGMQOQSA-N 426.481 0.016 50 20 ICGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C 728158636 AGSZZRVBIMEJBW-UHFFFAOYSA-N 433.490 0.256 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)CC1 728212836 HEHFIRYGQSDAOE-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@@H]1CCCO1 728378141 CUKKOPIHJAKHOM-BIGDYJPZSA-N 434.518 0.773 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 728850100 IHNWYHMYZGNBJE-OAHLLOKOSA-N 444.469 0.409 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731050707 ACIOKQOLMKAPSL-UHFFFAOYSA-N 439.837 0.617 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@H]2CCOC2)c1 731762862 NZGMQRXDIMSAKQ-HNNXBMFYSA-N 442.538 0.714 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 731848727 MWVHFXKSBIJBLM-MRXNPFEDSA-N 431.603 0.695 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(N2CCCS2(=O)=O)c1 734241604 IUUIDLGBJQHKLX-UHFFFAOYSA-N 441.510 0.695 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C(=O)N(C)C 734420168 YNZCPUYIOLUTHR-UHFFFAOYSA-N 435.458 0.792 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 741143091 GMLVCFAWZATWFR-UHFFFAOYSA-N 449.515 0.785 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cccc(Br)c3)nc2n(C)c1=O 742771465 VTWKQKDRDJCLBA-UHFFFAOYSA-N 432.234 0.470 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 744400003 BABZOXZEPCLACS-UHFFFAOYSA-N 445.487 0.113 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620592 LFHLGONSDGLTRR-UHFFFAOYSA-N 433.552 0.612 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CSc2ccc(S(N)(=O)=O)cc2)cc1 747287991 XFOWEYLPMKUAJZ-UHFFFAOYSA-N 437.499 0.739 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748838139 KZJOGBYAKCBOFS-MRXNPFEDSA-N 425.493 0.122 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 751209890 WYMZSBGINKCCQZ-ZROIWOOFSA-N 429.437 0.758 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 756640147 JVNMIPTYNAHSQO-SNVBAGLBSA-N 442.416 0.731 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)cc(OC)c1OC 756802863 VAYXWQPUNJGANC-JOCHJYFZSA-N 443.456 0.880 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1C 756835014 KIMZWMOXALFNEA-MRXNPFEDSA-N 444.492 0.979 50 20 ICGD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)CBr)CC1 758535243 NHGUXDWFMMVXEA-UHFFFAOYSA-N 446.283 0.771 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 758781929 JFTJOAPQUFKTJG-HNNXBMFYSA-N 440.545 0.032 50 20 ICGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 759294889 XDYBLGRJEQTDLI-OAHLLOKOSA-N 425.405 0.983 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCCCC1 763465455 XGGDWKFEONRZMP-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 763509472 QADNNMHMUPVEOX-SNVBAGLBSA-N 425.408 0.785 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1OCC(=O)NC1CC1 763561642 OVAYPUMTJCABTO-UHFFFAOYSA-N 444.419 0.891 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cn1 763596332 WPZPRZBXVIFAJU-UHFFFAOYSA-N 444.492 0.434 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)c1 763618854 GGHYRWSHKXEQDJ-UHFFFAOYSA-N 426.473 0.992 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cccc1N1CCOC1=O 763674023 KAJHFGJCUORBAC-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cccc(CN(C)C)c2)c2ccccc2c1=O 763786537 PXCQKICTWVALEK-UHFFFAOYSA-N 436.472 0.878 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccn2)c2ccccc2O1 764267327 SSVHOYQOGKEJGA-KRWDZBQOSA-N 425.445 0.092 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764275120 JKWYIBVCAISPEQ-UHFFFAOYSA-N 442.472 0.432 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cn1 764378738 NCFTYZVMLHSPOB-UHFFFAOYSA-N 440.416 0.897 50 20 ICGD Cc1cccc(N2CCN(Cc3ccc(NC(=O)C(=O)NNC(=O)CO)cc3)CC2)c1 764420335 DTJNPBOQRBSDJH-UHFFFAOYSA-N 425.489 0.395 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 764607675 LPQKJJJWICVLOZ-UHFFFAOYSA-N 443.489 0.746 50 20 ICGD Cc1ccc(C=NNC(=O)C[C@H](C(=O)NN=Cc2ccc(C)nc2)N2CCOCC2)cn1 764910067 NMCKQHUVYOYISI-HXUWFJFHSA-N 437.504 0.785 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 765373552 JZRWALARSLTPCG-STZFKDTASA-N 425.467 0.605 50 20 ICGD O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642864 NUYNYPQYDHXIBD-GOSISDBHSA-N 435.484 0.718 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n[nH]1 768276814 PXBDVJKEBLAZQO-HXUWFJFHSA-N 446.467 0.993 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 768637349 FLKAHZFRRNBDFE-LJQANCHMSA-N 432.458 0.910 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1 769194485 DBEMLJZIGONDDQ-CYBMUJFWSA-N 440.478 0.583 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 772884346 JGCUEOXLQBCXTE-KCPJHIHWSA-N 434.880 0.667 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 777141827 TZSYVNWKVZDBRU-SNVBAGLBSA-N 432.296 0.587 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1Br 779148023 KWBXOKWRXJUZAT-UHFFFAOYSA-N 425.261 0.756 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(C)n1 782897975 UDYYDJLVWGEJSG-UHFFFAOYSA-N 434.478 0.400 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)ncn1 783945259 IWIVKJYXWPWTNH-OKILXGFUSA-N 448.505 0.665 50 20 ICGD COC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 784004468 XJZADCHIOBGDHR-UHFFFAOYSA-N 437.409 0.581 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)o1 793185685 LUUQFRMTBYPEPC-HXUWFJFHSA-N 449.508 0.498 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)ns2)cc1 806973685 IPKVGTWJPXHCPX-UHFFFAOYSA-N 425.492 0.167 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 812431359 GMKOQNYTXJJSBY-UHFFFAOYSA-N 438.462 0.261 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 914445342 VXXQKPNFVLSZAV-MNOVXSKESA-N 444.307 0.384 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1nn(-c2ccccc2)cc1O 917363168 UNIDGOZODSHEFE-UHFFFAOYSA-N 433.421 0.457 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N=c1cc[nH]cc1 919897063 VUUKFMQACHCYMB-UHFFFAOYSA-N 433.490 0.310 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc2c1OCCO2 919954023 APCCLWTZSPJHLC-OAHLLOKOSA-N 436.398 0.306 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 1344524236 PVPQZHLGWBCGGK-UHFFFAOYSA-N 425.438 0.279 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)c1ccccc1)CCO2 1779029331 VXKGTWLKKNWGSW-GCJKJVERSA-N 441.463 0.839 50 20 ICGD O=C1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CN1 1780770209 IISWIXRYXAFLHM-CTWCOEIASA-N 434.306 0.717 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949915 IVNUTNIZQDYJRX-FQEVSTJZSA-N 431.569 0.953 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782188950 MYPZOWPTECXRCX-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782279165 AOUYLVVGYPULPC-MLGOLLRUSA-N 431.262 0.800 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783353880 RATPTMVLFRJULS-TXPKVOOTSA-N 445.402 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc(Cl)n1)CCO2 1783936217 ISUKTGGRJPMJPU-HXUWFJFHSA-N 437.928 0.480 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783980918 JTNUTDXTDQPYKF-CABZTGNLSA-N 434.184 0.185 50 20 ICGD COc1cc(OC)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784092605 KRKOAZQRQOXXFL-JUKXBJQTSA-N 426.897 0.897 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1784525304 WOVNNSDOENHQQC-DGTMBMJNSA-N 439.372 0.430 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)nn1C 1786408805 BTBKVAXVNWHUNL-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984341 GDXFJWDXPMIOMT-YYWHXJBOSA-N 438.289 0.039 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 1787508594 BFVLLHIVGRRYLX-HMEDOYGISA-N 425.436 0.755 50 20 ICGD CCS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140077 HUDPKLBWMXDNSA-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]3C2)CC1 1788762534 DRACQCOPRREFNF-BZSNNMDCSA-N 426.634 0.065 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(C(F)(F)F)n1 1788894380 VLAYEWOBWSIIMF-DJIHRAIXSA-N 438.834 0.632 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922442 GAUDULKHTYEAQC-YGTGSIHKSA-N 449.346 0.683 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926675 FFYIGDBCCRQKPV-TZQJONAQSA-N 430.274 0.878 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1790964368 NHTUCEUEZDNLIS-QTVXIADOSA-N 428.331 0.992 50 20 ICGD Cc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791288019 ONRMNRMCQIHPRX-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]4C3)n[nH]c21 1791291204 OUHADNSGRFJCGI-OHFALNGGSA-N 446.552 0.426 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1cncn1 1791857229 SHQGXOXMWFODPN-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115738 VMIVMJJMCAXSOB-LXTVHRRPSA-N 433.933 0.766 50 20 ICGD Cc1nnc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)s1 1794378496 WNBOELUDOAGFMG-BJWYYQGGSA-N 428.323 0.411 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1ccc(N2CCOCC2)cn1 1794442262 ZNXPJQGHMVEJQT-YWVIFJGQSA-N 443.331 0.925 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736699 GKGHPDCYUIGAJL-IBHRTIHJSA-N 436.317 0.682 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1797953045 ZGMLQGXTGHYIET-YVWYUNDQSA-N 431.569 0.872 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802120695 OQTJUWSAYMTRTR-HLPPOEQASA-N 433.933 0.481 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810300 NZAUAMZVAGPLNN-YIZRAAEISA-N 432.344 0.431 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814893384 SJVPJDGSMZBDTH-MOPGFXCFSA-N 439.325 0.880 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1814919078 QLMMMDSEVMAKSN-SECBINFHSA-N 429.344 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(F)(F)C(=O)O)n[nH]1 1818027320 CNOPSNABMMWOSF-LBPRGKRZSA-N 444.439 0.885 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818122121 WJTBQBGMBFWXID-UGSOOPFHSA-N 441.297 0.262 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818805029 PGWRYDCUQYNXFV-CHWSQXEVSA-N 429.974 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(=O)n2C)[nH]n1 1822413470 XNTFYEJOHAVRPI-HNNXBMFYSA-N 443.508 0.787 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824396845 FLXSYFPAVJSSCQ-OXQOHEQNSA-N 443.353 0.514 50 20 ICGD O=C(CCBr)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900739 HZXGMBIFIBOCGP-AWEZNQCLSA-N 443.342 0.943 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCC3)CC2 1826087761 KDTOCVICRKWLOH-GFCCVEGCSA-N 445.549 0.885 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1830143466 WDXRBFIGQUBYLG-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1C 1830363597 DTICSNVUNBSWKM-IBGZPJMESA-N 428.917 0.764 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cnn1C 1830538247 ZHEIOFLRWVQCGB-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722388 AUGPJMFHSSRLDX-HNAYVOBHSA-N 444.937 0.743 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830725767 LRYJDRMGELNSAH-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830726491 YTJLIPWDLOOUMU-WIYYLYMNSA-N 440.924 0.684 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830736164 RSLKRQLLDHRTJL-KXBFYZLASA-N 432.851 0.943 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831657900 YXXNLHZLRIVAEI-OCCSQVGLSA-N 446.342 0.933 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1833446025 ARGNQEYQISIURG-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccncc3)CC2)CC1 1834138162 LYVGZKSJCVDFDM-UHFFFAOYSA-N 430.553 0.640 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938537 XPPYTSCXQMBHNY-OFNKIYASSA-N 442.321 0.205 50 20 ICGD O=C(COc1ccc(O)nn1)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1836504932 YJJMAMFULOOXSQ-KRWDZBQOSA-N 429.880 0.667 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837076710 LPRMSMSIDXJCKC-HNNXBMFYSA-N 428.917 0.554 50 20 ICGD CC/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460698 JJBPBOSZTBVWJG-LTVHSIDISA-N 431.493 0.111 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1837592127 WDSFPDLUMJNBGW-DYVFJYSZSA-N 429.315 0.500 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838365945 VEJUONWHZSREGZ-CCEZHUSRSA-N 445.520 0.848 50 20 ICGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839693297 VZIDEFLDROOPAV-XLIONFOSSA-N 440.903 0.374 50 20 ICGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839882562 MGJKVLYDQSALCK-SUMWQHHRSA-N 434.331 0.000 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1839898181 LESCAUOUMRZTKU-DLBZAZTESA-N 437.320 0.632 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840809042 JLUMLINFGAGPPZ-APWZRJJASA-N 432.851 0.563 50 20 ICGD CCn1nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c2ccccc21 1843013814 QKJXYTWDEAHVOL-UHFFFAOYSA-N 432.289 0.867 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CS[C@@H]2CCCCO2)C1 1844291160 GVBAKBYCSISHAJ-QGZVFWFLSA-N 433.534 0.762 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 24537345 YCNSEQNNSUHXJY-UHFFFAOYSA-N 445.501 0.531 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 726243586 MYPSHIDGNUJFKA-UHFFFAOYSA-N 445.501 0.481 50 20 ICGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 726717459 WWWUYDYFUVBUDS-CYBMUJFWSA-N 427.483 0.112 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1Cl 726900013 LUDFNWIFOBONHN-UHFFFAOYSA-N 444.926 0.251 50 20 ICGD O=C(NCCc1cccc(O)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727239421 FJPTYWULAVSAKP-UHFFFAOYSA-N 448.501 0.600 50 20 ICGD CCOc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1O[C@@H](C)C(=O)N(C)C 730576143 BSHPFVVYEYOLSI-DZGCQCFKSA-N 425.507 0.826 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)COc2ccccc2O)CC1 730901485 ANUVOFUXXYDXIY-UHFFFAOYSA-N 437.497 0.654 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 737516831 CFUDHOQEIXLNEZ-UHFFFAOYSA-N 425.445 0.343 50 20 ICGD CCCN1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 745865957 FFJQHVJOGGXSGU-UHFFFAOYSA-N 425.555 0.820 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 746299206 AOOJJJUGPMNRPL-QKVFXAPYSA-N 444.492 0.938 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCN1CCCS1(=O)=O 747110710 NOXACHRKWOZFOR-UHFFFAOYSA-N 435.300 0.194 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)C(=O)N2CCCC2)nn1-c1cccc(C(F)(F)F)c1 748247670 UKUTVCXUYOGVFF-UHFFFAOYSA-N 437.378 0.943 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3cc(Cl)nc(C)n3)n[nH]c2n1 748336855 ZJPOYNIWIKXVRQ-UHFFFAOYSA-N 437.921 0.792 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 748608687 SZTMDNJPSWPQPS-ZDUSSCGKSA-N 446.551 0.077 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3cccc(OC)c3O)ccc2O1 751540386 APEHIUVUFLFHGV-MRXNPFEDSA-N 436.442 0.891 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1C 751836525 PDIPFHWKDNFZBA-UHFFFAOYSA-N 430.442 0.441 50 20 ICGD C[C@@H]1C[C@@H](CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 753334270 GWSXZCPCBSRTCH-CVEARBPZSA-N 440.570 0.849 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c(C)n1-c1ccccc1 759548982 ILJFCZIKHUWIFT-UHFFFAOYSA-N 436.538 0.871 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)nc1I 761135325 HYWGYASBSGRJDB-UHFFFAOYSA-N 429.218 0.969 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763436415 YMAHDOAOQYCBBD-UHFFFAOYSA-N 438.437 0.394 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 763488754 PIHXGPLHIFDZBM-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1=O 763547496 CMQNQRUWPKGQFZ-UHFFFAOYSA-N 437.206 0.276 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 763838720 BPSKLVLRSSUCFT-UHFFFAOYSA-N 445.375 0.987 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 763893763 ZEZAHABNXAUZLT-UHFFFAOYSA-N 432.393 0.356 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 764005990 HRXDOFTUYGZLCM-UHFFFAOYSA-N 448.457 0.122 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(O)c1 764108616 KOBYLYZVWNEKIG-UHFFFAOYSA-N 440.456 0.502 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1 764130738 DOGQNZLIYAUUNK-UHFFFAOYSA-N 441.423 0.837 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764138430 FHPMMEFRPRDOBZ-UHFFFAOYSA-N 430.436 1.000 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCc3c(C)nc(O)nc3O)n[nH]2)cc1OC 765597542 JBYQYNIMNNMPBJ-UHFFFAOYSA-N 442.432 0.997 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c(=O)n1C 765816282 KMAKMIYUIKBHER-PHIMTYICSA-N 429.315 0.717 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 766914640 WUHOWFWZEWFGIS-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)nc21 770339290 BXHZZNOOWRLHCF-UHFFFAOYSA-N 440.873 0.327 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)c2ccccc2c1=O 770773902 MQPHUNZETFEEDR-UHFFFAOYSA-N 449.402 0.658 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 771853925 YPZYTPYWRHSZOB-GFCCVEGCSA-N 443.478 0.005 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 772049044 RBOIZNYBWUEIEF-LLVKDONJSA-N 447.535 0.244 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1 773070710 STKSUMFNFDDFQZ-UHFFFAOYSA-N 449.489 0.348 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)CSc2ccccc2O)nn1 773495995 IWLSLBIJXICUGF-UHFFFAOYSA-N 441.473 0.863 50 20 ICGD COc1cc(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)ccc1OCCC(C)C 779696484 OOLMKZLUNMQILK-UHFFFAOYSA-N 442.538 0.956 50 20 ICGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 782897765 UATAYHJZIZMJDU-UHFFFAOYSA-N 448.505 0.953 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1 783329472 HLYWZMSTGCKWOH-LBPRGKRZSA-N 428.449 0.857 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)cc2)CC1 783435816 AICVFBXLGZVSSY-UHFFFAOYSA-N 435.492 0.886 50 20 ICGD N#Cc1cccc(COc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)c1 783996112 CMQGYGAKAMHRJE-UHFFFAOYSA-N 435.440 0.846 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 785721192 ZNQSLFSRVFYPMR-ZWKOTPCHSA-N 440.456 0.304 50 20 ICGD CCn1c(CCC(=O)NNC(=O)C(C)(C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 787952083 XUUASZNVUPNDBK-UHFFFAOYSA-N 425.511 0.157 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc([C@H]3CCCO3)nn2C)c1 788727395 UJAUTEOVCBJSIC-OAHLLOKOSA-N 436.494 0.988 50 20 ICGD CSSCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 793080054 YVDWODGFUFPKJJ-UHFFFAOYSA-N 437.540 0.913 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 794598160 AJAJQXFJQGEDQJ-UHFFFAOYSA-N 443.384 0.899 50 20 ICGD O=C(COC(=O)c1cc2nccnc2cc1F)NNC(=O)[C@H]1COc2ccccc2O1 795872330 LOAPCYZYNVYBBX-QGZVFWFLSA-N 426.360 0.913 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNc3ccc4c(=O)[nH]ccc4c3)cc2)CCN1 806378668 AIRFCPQEWSDIAL-UHFFFAOYSA-N 434.456 0.926 50 20 ICGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815691749 ACHWREOJHQQVRF-AWEZNQCLSA-N 428.449 0.584 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778492 UDDSCCYTLXMLMH-MRXNPFEDSA-N 438.506 0.435 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n1 907613255 BUNUKFQHPSSSEG-UHFFFAOYSA-N 440.503 0.678 50 20 ICGD CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 914531020 CITFLKAGHBDTLI-UHFFFAOYSA-N 440.345 0.289 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)c(C)c12 914846631 RPPRHTOANINIIN-UHFFFAOYSA-N 449.471 0.519 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(Cn3cncn3)cc2)c2ccccc2c1=O 916227785 LIMAEPGAHJSXSC-UHFFFAOYSA-N 432.444 0.718 50 20 ICGD O=C(O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 918063400 WUVPVUUSNNZLSY-UHFFFAOYSA-N 430.439 0.440 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)Sc1nnnn1C1CC1 918420622 IOIWHWXKGKUISL-JTQLQIEISA-N 438.539 0.551 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919883366 CLUBFJUBDXHKKN-DZGCQCFKSA-N 442.925 0.710 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N[C@H]1CCS(=O)(=O)C1 920745202 JAXWMSVQJOJVFM-LBPRGKRZSA-N 425.467 0.716 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)c1ccccc1)CCO2 1779029335 VXKGTWLKKNWGSW-XMSQKQJNSA-N 441.463 0.839 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779031025 LTEGDECKHQSLTN-QHCPKHFHSA-N 437.500 0.680 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779364763 ZARDUKMCHBYCIV-UGSOOPFHSA-N 433.839 0.941 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2NC1=O 1780176945 NUQBKLABQNNFER-LCMPSIMXSA-N 437.880 0.449 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)ncn1 1781325866 JMMXRXBLFPIPLG-IAQYHMDHSA-N 431.218 0.309 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783341371 BNMBCXXSOOKHGT-IUODEOHRSA-N 425.345 0.425 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783342480 JCJRHWZPQBVBQK-FZKQIMNGSA-N 442.310 0.305 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnc1Cl 1783366567 MJJPWWPFUPXAIK-WBAXXEDZSA-N 443.696 0.322 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933605 RSHYTBBVLTUWIU-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD O=C(CCc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784736295 BVKDWCNWVITTPA-HSZRJFAPSA-N 440.280 0.582 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1F 1785011647 KEJFSBSOZVBHFM-NRFANRHFSA-N 436.484 0.651 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788705904 ATTHFGWMZMAPCI-JGFGOLAASA-N 437.928 0.592 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789806741 ATWFTZQWLGWSGA-XSLAGTTESA-N 426.989 0.764 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789866666 WJGNZFLZNZUWSB-QBWPOKONSA-N 443.136 0.196 50 20 ICGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1792978141 GBTYQGFGCNEIHU-USRAEIGSSA-N 433.933 0.479 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793109867 HFYQNUKOVWPUKI-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c2n1 1799176555 XMBRVGBVPLKWPO-BJWYYQGGSA-N 448.288 0.817 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800756693 HAQUJVCOVGINIJ-DYNIEEOBSA-N 430.259 0.164 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800759526 UHAUACUPNGUMFW-KCKFDXLZSA-N 432.315 0.888 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007667 AKECCBGIKDOGBW-MDVSLZIOSA-N 435.315 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2 1801013046 RTTONPVUVKWKGP-FAQVEIGNSA-N 442.516 0.392 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccs1 1801291441 ACUGTRUJUJYJBT-AMVTXUCVSA-N 428.319 0.435 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803141668 SMEANMCBCMDVNS-ABSDTBQOSA-N 442.907 0.973 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803503127 QOUZIOCCNKBSEL-BVUBDWEXSA-N 446.957 0.015 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804123844 PQOZGFJLSLUFLE-RVKKMQEKSA-N 435.912 0.949 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362875 MNCZWJMGHGVAFG-CTNGQTDRSA-N 430.273 0.790 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375050 MOZVXFWKSZHIAQ-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD COCc1oncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972007 HSNZMPQGPAEJCK-UHFFFAOYSA-N 441.293 0.659 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1813071246 RAIRMCVRAHNPAV-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CCCOC1 1814155612 QXDVAKQYSNHTQZ-QKNQBKEWSA-N 437.305 0.508 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337354 RWOHIXCSOQTCEI-ZBFHGGJFSA-N 428.323 0.143 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1815954252 QKYSUTMJFBXUPQ-GOSISDBHSA-N 436.281 0.601 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CO)o2)[nH]n1)c1cccc(B(O)O)c1 1817476766 PUFRLGIBIQDOKD-QGZVFWFLSA-N 438.249 0.795 50 20 ICGD CO/C=C(\C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1819543409 XCOORHXNYPTDKR-USKTWTLRSA-N 430.490 0.918 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1821214720 MWZRFVKRVINRHY-YWPYICTPSA-N 445.904 0.845 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1CCC(O)CC1 1822546750 OEDACSQNFSUIJZ-ITXXBFQVSA-N 440.309 0.947 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCN1C)CC2 1826083056 JECKTSPPIGDZIG-DZGCQCFKSA-N 436.582 0.912 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829864897 GEYXCTOLBLFPBS-RVSPLBMKSA-N 434.331 0.141 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728407 SVYHFZYKJXBQKV-KUHUBIRLSA-N 429.901 0.605 50 20 ICGD COc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc(F)c1F 1830732836 BONMDRQFLXVOBW-AUUYWEPGSA-N 448.850 0.643 50 20 ICGD Cc1cccc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n[nH]c12 1830736898 XSRASJIZHQDWFS-FOIQADDNSA-N 436.896 0.541 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831639884 FXCKRYGDPLQDAV-YJBOKZPZSA-N 443.888 0.655 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831652338 ZCOPYZLGWXUBPM-YVEFUNNKSA-N 429.861 0.795 50 20 ICGD CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549205 GZALJXWJTUVZCY-LIRRHRJNSA-N 447.916 0.164 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1)[C@@H](O)CCl 1833310798 SUJLXITVVIAAAE-ZDUSSCGKSA-N 425.860 0.268 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ccc3O)CC2)CC1)[C@H](O)CCl 1833311711 DJNXLDNQNRIUSV-GOSISDBHSA-N 425.913 0.883 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n[nH]1 1833824126 CVGKVCSSMUFFDH-QZTJIDSGSA-N 447.319 0.919 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=C/C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800600 QQWNBOBWCHXXHM-VOTSOKGWSA-N 425.338 0.518 50 20 ICGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)ccc2N1 1836787504 PPJIWBRVCATFPP-LPHOPBHVSA-N 425.844 0.786 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837238531 LATHRKCNKCPXQB-LMKMVOKYSA-N 439.372 0.387 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837847381 CFYSJRZOAGXBCY-HRAATJIYSA-N 445.369 0.352 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837879627 YKYGFDGBRKZJCV-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949689 STHLRZJSLCJATF-KSSFIOAISA-N 426.857 0.262 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839111540 VOTMLUMXPYEMOQ-JOCHJYFZSA-N 430.310 0.183 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839197617 CBQFIBBYJJUFJU-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668476 UKBBXSOQGWZCOW-LIRRHRJNSA-N 442.900 0.425 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059681 MGBAMAPKTZUPSU-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1840152038 VFJATCUCDISNLA-ZWOKBUDYSA-N 433.977 0.719 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840199938 PSFCCEBSZMVWBG-ZOWXZIJZSA-N 443.335 0.247 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1840369121 BVFPEYKUZSLZTD-GDBMZVCRSA-N 434.262 0.672 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cncn1 1840417498 UUDFNOKTUMBVBD-XJKSGUPXSA-N 430.303 0.081 50 20 ICGD Cn1c(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc2ccccc21 1843012873 PCYHKRZNERBZBL-UHFFFAOYSA-N 431.301 0.918 50 20 ICGD CSc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1O 1843014422 IREQROAXAGAMIU-UHFFFAOYSA-N 426.303 0.925 50 20 ICGD Cc1cc(C)n2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2n1 1843014935 RZAHWYDUFSIXGE-UHFFFAOYSA-N 432.289 0.762 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2CCN(c3ccccn3)CC2)C1 1845031902 UYLNVBJGTPBXIC-UHFFFAOYSA-N 448.332 0.495 50 20 ICGD O=C(Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1)C1CC1 1845284382 MFUNEXYMUDIDQT-UHFFFAOYSA-N 447.300 0.846 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 725870614 MERQYEQRWJGNPH-UHFFFAOYSA-N 431.424 0.737 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 728344204 HRZPFQMKZRHMMU-INIZCTEOSA-N 431.357 0.748 50 20 ICGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889961 UTZWJLMSNDGFDZ-OAHLLOKOSA-N 446.533 0.985 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 733042614 SOMNXJUJLRTEMC-UHFFFAOYSA-N 434.465 0.969 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 741182433 PPOZFRPAQLOLBG-UHFFFAOYSA-N 434.493 0.855 50 20 ICGD O=C(NNC(=O)c1cccc2ccccc12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 741576922 UFMMHGQVPRFRKH-CQSZACIVSA-N 428.470 0.766 50 20 ICGD O=C(NCCOC1CCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745907960 PBTXDKSYSIORDG-UHFFFAOYSA-N 426.495 0.221 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c1 752279161 AAAXVNAZZSTJQB-KBPBESRZSA-N 425.507 0.549 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](CCO)CC(C)C)cc1 754375645 OKQRMRCIXFQIQX-MRXNPFEDSA-N 428.555 0.991 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cnn(-c2ccccc2)c1 755167589 UPXVJCKELBSKKB-LBTBCDHLSA-N 434.456 0.623 50 20 ICGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cn1 757867633 UEVZBFHQYSXXEC-UHFFFAOYSA-N 442.436 0.503 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cncnc1)N(S(C)(=O)=O)CC2 760802429 XOKAJCUXSAKXMG-OAHLLOKOSA-N 449.489 0.204 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763679786 DCXZWJHXCVJUOO-UHFFFAOYSA-N 441.444 0.441 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c(OC)c(OC)c1 763760251 JCRKQJMIDRWYNO-UHFFFAOYSA-N 444.444 0.956 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763837289 DUXXHGPXAQDKDX-UHFFFAOYSA-N 441.412 0.674 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(Cl)cc3)cc2)CCN1 763936123 FALJWFGVFAPZOP-UHFFFAOYSA-N 429.864 0.605 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C1 763995423 HWWWDMWGPZZJBK-CQSZACIVSA-N 447.517 0.845 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 764012308 NWHQYDBNQCQLPM-UHFFFAOYSA-N 430.808 0.724 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 764169762 ROYOZIYZMSILMJ-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 764204927 VSRCMOPHQCQRHJ-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230790 LEGDANSFVYSNRT-SECBINFHSA-N 435.300 0.090 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 764234395 XVJRUKPNIDURDH-LBPRGKRZSA-N 445.457 0.374 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 764234475 YEJYGQIOJDVDBA-AWEZNQCLSA-N 428.470 0.110 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 764317657 MUTBMUZMFVTXRK-ZDUSSCGKSA-N 437.472 0.761 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764393637 JTHGICSYOITUFB-UHFFFAOYSA-N 446.485 0.737 50 20 ICGD N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 767852263 WLNHNIXHQDCLSC-UHFFFAOYSA-N 440.316 0.827 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN(C)S(=O)(=O)c1cccnc1 768629468 JFZDEAGFWIPKOV-UHFFFAOYSA-N 428.492 0.258 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(Br)nc1 771022318 XXIXHIKDCJSRDK-VIFPVBQESA-N 442.295 0.753 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 773411392 KFJKSBGHRGLTEH-LBPRGKRZSA-N 444.510 0.737 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1nccc(OC)n1 773724486 SJSOYEVYIZYYAD-UHFFFAOYSA-N 448.505 0.548 50 20 ICGD CCO[C@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@H]1Oc1ccccc1 774365659 VCPLMWHNXPVAGK-GOEBONIOSA-N 433.490 0.300 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 780828103 NUDXYDPKHDARCR-UHFFFAOYSA-N 437.434 0.986 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(OC)cn3)cc2)CC1 782145177 GMFQBHLSMPNUTF-UHFFFAOYSA-N 442.476 0.467 50 20 ICGD CC1(C)OC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 783286611 NFHPEIYYLJWPDT-AWEZNQCLSA-N 426.495 0.567 50 20 ICGD Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1C 783427236 NLOPHPDHCOSJEF-LJQANCHMSA-N 430.490 0.497 50 20 ICGD CCCn1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2ccccc21 787126500 PNMATVBTQGEQRR-UHFFFAOYSA-N 437.460 0.260 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NNc2cc(F)cc(OC)c2)n1 787576242 NUUCVZNFFSEBKW-UHFFFAOYSA-N 427.458 0.856 50 20 ICGD Cn1cc([C@@H]2[C@@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC(=O)N2C(C)(C)C)cn1 795102380 XJDHEUVIJKSCLY-SMDDNHRTSA-N 427.469 0.634 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797534965 ILDKIBFPCFRUHQ-ZDUSSCGKSA-N 442.900 0.310 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 799101671 QPAVXKFLELBLIA-QGZVFWFLSA-N 425.445 0.272 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 810348202 JOXXVZXLIDJPPV-UHFFFAOYSA-N 432.506 0.127 50 20 ICGD Cc1ncc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 815276395 VNOCFTOPRNYYCG-UHFFFAOYSA-N 426.838 0.309 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNc3ccc(-n4cccn4)nn3)cc2)CCN1 916391619 IEFQTYOCSSTRMR-UHFFFAOYSA-N 435.448 0.061 50 20 ICGD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883858 GAHXEZPEUFCEAS-LBPRGKRZSA-N 427.870 0.840 50 20 ICGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)CC1 1318501986 OEUDYDVPCYGCCT-CQSZACIVSA-N 437.570 0.092 50 20 ICGD Cc1cccc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)[nH]c12 1778450706 JDSFXIRZKXKEKE-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778521669 WOEXJZGBUCVJCB-NRFANRHFSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Cl)ccn3)CCO2)C1 1779031551 BAYJHHZFBPZFKG-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214134 FIQRYSBLHTXONS-GSHUGGBRSA-N 438.569 0.446 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C 1784922434 VHPMVABRFBWIBK-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1785708595 LJOFMDYWUNBPKI-SCLBCKFNSA-N 431.917 0.473 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404920 ZUPPVDDYRCGUPG-AVGNSLFASA-N 437.356 0.657 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCSCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982327 XXJOEZZVBQRSCD-WDSOQIARSA-N 432.351 0.103 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925546 GNKSNVFJHSSSOJ-IKOXMDCHSA-N 432.294 0.584 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792867898 KJMWQYFVETVIFR-HGTKMLMNSA-N 443.342 0.764 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739698 CETXTTQJGPGNSD-LAVAIGHBSA-N 438.289 0.037 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCSC(=N)N)C2 1796892043 CVIOJXHHAFCLNR-BQELMUNXSA-N 433.538 0.775 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797462338 KNQISYSVVSQJOY-OEYIWLLWSA-N 436.310 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3cccnc13)C2 1798440731 XLHMLTQAIWJHKW-BTTYYORXSA-N 434.460 0.293 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2)[C@@H](F)Br 1799346635 UDDJKKCQIFGLQH-XSPYEYLBSA-N 426.246 0.852 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180910 QHEHOUNZUDAIFD-LSSIXWDNSA-N 427.299 0.488 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2csnn2)[C@@H]1c1cccnc1 1803754050 PDGIATIBHYEKNI-KDOFPFPSSA-N 431.522 0.626 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371047 OUVZMKZGECVHJU-CEDBRAGKSA-N 438.337 0.454 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373349 CIQDCWVWLKNDRU-ZJOUEHCJSA-N 437.305 0.508 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809815341 NVSJLKMJBOWPNH-KBPBESRZSA-N 431.375 0.841 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811486116 MAKLDWMSJJTYDC-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCBr)n[nH]1)C(=O)C(=O)O 1816784495 JQDZUWBJODTKCF-NSHDSACASA-N 444.286 0.730 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475679 XIVJVNBUJMWYHJ-FZKQIMNGSA-N 441.297 0.262 50 20 ICGD O=C(COC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1819606755 UBELXKYWYJCOLK-SVRRBLITSA-N 429.804 0.760 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886514 KHXYEBGNTNTAET-SJCJKPOMSA-N 442.614 0.557 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819890679 KTEXDSZSQRULDK-AMJWSMQMSA-N 447.355 0.489 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCCN1 1820818707 ZTTPBJBAPGKJKO-LAUBAEHRSA-N 425.298 0.538 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)CC2 1826006564 JUANMIFRWHKBKH-MELADBBJSA-N 444.001 0.945 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn[nH]c2)CC1 1827796937 ALZZTSJCLOFUJJ-GOSISDBHSA-N 425.493 0.955 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923676 SFZLALRNFOTQPI-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)CCC)CCO2 1831639704 VGEOLTUCOIJPDF-JDSYDOCNSA-N 427.929 0.709 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833264494 HJWOPPBPXKODGT-COXVUDFISA-N 445.402 0.312 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833276685 YOTDGFBCFLKTNO-CZUORRHYSA-N 432.246 0.081 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306510 UXLOWCAZTLXEIS-INIZCTEOSA-N 431.961 0.890 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834120125 FKOXNPMCZWUQHA-KSSFIOAISA-N 443.342 0.972 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839150400 LNHSBZRLLUOKPX-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD O=C(Cc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198200 WZRSJQHOWHMPRD-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839201881 MNVGUKKGLJMPRJ-XJKSGUPXSA-N 429.246 0.647 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203340 IOKGHTAGEPENQT-KMFMINBZSA-N 437.306 0.950 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839413864 YIWKUAWELZXPCP-PBHICJAKSA-N 431.804 0.905 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839901263 SXGGFLFQKIAONJ-WZONZLPQSA-N 446.353 0.653 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840152706 QGKUGJKTSWTVKI-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841386140 BBMPGQILHOLCFH-SFTDATJTSA-N 434.301 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnc(N(C)C)o1)C2 1843415519 NARQNANFBNEOIP-YDZHTSKRSA-N 427.465 0.692 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2c1=O 14696366 QONYWEIQKDBTJD-UHFFFAOYSA-N 443.485 0.742 50 20 ICGD COc1ccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 725873658 OSZJEJYZBZNJPB-UHFFFAOYSA-N 445.501 0.685 50 20 ICGD C[C@@]1(NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCS(=O)(=O)C1 731116538 AXMDXXHZPSUSLE-YLJYHZDGSA-N 437.566 0.265 50 20 ICGD CC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 732001549 ZPTOCDPYYCAATE-GOSISDBHSA-N 444.513 0.762 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c2ccccc2c1=O 732892517 CZLNZUVGDFWWIZ-OAHLLOKOSA-N 438.419 0.822 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 740852441 ASBIUDSBKPMOJL-UHFFFAOYSA-N 435.466 0.940 50 20 ICGD CN(C)CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 741282725 LHSATTZCZVHVPG-ZDUSSCGKSA-N 434.356 0.752 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCCOCCS(C)(=O)=O)N(C)c2ccccc21 741717755 FZFAFYSCDNKBHD-UHFFFAOYSA-N 434.518 0.834 50 20 ICGD O=C(O)COc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 743435900 NTROFERAJBAJLP-SNVBAGLBSA-N 434.268 0.733 50 20 ICGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)COc1ccc(Br)cc1 743640401 USHWWEXUCONFNZ-UHFFFAOYSA-N 438.300 0.220 50 20 ICGD O=C(CN1C(=O)COc2ccccc21)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621270 NHZJIWMAYUMRNB-UHFFFAOYSA-N 446.485 0.576 50 20 ICGD CN1CCN(Cc2cccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2)CC1 746122864 AIIIFYMTEXCBHF-UHFFFAOYSA-N 430.530 0.912 50 20 ICGD O=C(NNC(=O)c1ccc(-n2ccnc2)nn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 750663301 MDZYEQSKEYZRDO-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD O=C1Nc2c(I)cccc2C1=NNC(=O)[C@H]1CCS(=O)(=O)C1 750931854 BXHOBDREDHSZGJ-ZETCQYMHSA-N 433.227 0.498 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 753296634 CVNARBMOMWMRMZ-OAHLLOKOSA-N 442.432 0.890 50 20 ICGD CC(C)C[C@@H](CCO)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 754376126 UEQDKQUAYVTQSO-MRXNPFEDSA-N 442.586 0.689 50 20 ICGD COC[C@@H](C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 755059223 BOPOBFNWWHPGBE-HNNXBMFYSA-N 427.523 0.460 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(F)(F)F)nn3)c2)CCN1 755189919 ZGFDOGHEGVWQNB-UHFFFAOYSA-N 444.395 0.373 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756094180 JDEVKIKWFHXPQG-STEAMIEHSA-N 426.473 0.820 50 20 ICGD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756259454 XVBOXMIWHOYSKM-NSHDSACASA-N 427.483 0.022 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(Br)nn1C 757781454 OIKMNTDOLJGUKA-UHFFFAOYSA-N 429.300 0.859 50 20 ICGD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048154 PXFVELCKHIEPTR-SNVBAGLBSA-N 444.311 0.642 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 760337907 BFGOXEVWOVDNHW-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763444110 ROLYAUUFBUXCJG-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD CC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 763511415 CWKGSTKLIADLHA-UHFFFAOYSA-N 426.495 0.754 50 20 ICGD Cc1noc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763512280 PJQSLJUSLJSZID-UHFFFAOYSA-N 449.489 0.866 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc21 763552018 VLYHIQMORAPZEQ-UHFFFAOYSA-N 437.412 0.516 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763859497 CTOKTEKDZMIAMF-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763865401 PNAGZFZIVRPYPK-NSHDSACASA-N 429.408 0.570 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763931422 GJFPYXRBPMUPGV-UHFFFAOYSA-N 434.884 0.197 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2O1 763978010 CMYKDRAOEWZQPU-OAHLLOKOSA-N 433.804 0.774 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 763979874 NSZYXBPBVXVTMZ-UHFFFAOYSA-N 434.352 0.717 50 20 ICGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764076641 CYISIOKZHJOIPR-UHFFFAOYSA-N 435.458 0.897 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)ccc1C 764130127 BKWPZSQFCZHVJV-UHFFFAOYSA-N 434.474 0.240 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 764204405 NJPICFJFSJHLMO-UHFFFAOYSA-N 441.872 0.830 50 20 ICGD Cn1nc2c(c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCCC2 764467833 YKCXVOHGZDJYEU-UHFFFAOYSA-N 447.517 0.395 50 20 ICGD COc1ccsc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765118544 LCPDBYRHUQQYEX-UHFFFAOYSA-N 438.531 0.524 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c[nH]1 765129048 ZOLJHTQXPDCISL-UHFFFAOYSA-N 449.533 0.237 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 770186385 KRCBRGHAIFYQRL-SNVBAGLBSA-N 446.851 0.906 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)nc21 770973668 OORSRQOQQVGFHK-AWEZNQCLSA-N 431.478 0.755 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 771932945 COKTUKHHMQALTK-UONOGXRCSA-N 433.461 0.936 50 20 ICGD COc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 773493694 HACWVCMDOXEHRC-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)nc1C 778428230 JUVHSWGWALZERR-UHFFFAOYSA-N 446.489 0.999 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967597 UTLAKPDWULACSK-BETUJISGSA-N 443.504 0.478 50 20 ICGD CN(NC(=O)[C@H]1COCCN1CC(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783703867 HPAKMSXBVVAZDW-CYBMUJFWSA-N 435.472 0.588 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)c1 784004217 CCKCEEPGXLMEGG-UHFFFAOYSA-N 431.474 0.322 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccccc2)cc1S(=O)(=O)N1CCOCC1 784767378 OYUWZSCHSVZLMS-UHFFFAOYSA-N 434.474 0.798 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 786666835 RZDAHNSONDXENR-XNTDXEJSSA-N 448.457 0.831 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c(O)c1 787542229 IGFTYWKFRWUNRQ-UHFFFAOYSA-N 440.456 0.881 50 20 ICGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 788056599 YEPHYKWBCKFBQT-UHFFFAOYSA-N 446.532 0.448 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1 788255465 NCXFXQHTUDGZHK-LBPRGKRZSA-N 437.526 0.941 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C1 789856895 MHTZLCPOLJDGFD-GASCZTMLSA-N 436.534 0.737 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)CN2CCCC2=O)cc1 789857252 QTRROWNFVSJPPL-UHFFFAOYSA-N 438.506 0.060 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCc2nncn2C1 793451366 RPCVMDCIDUPIAX-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD CS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369490 ZPSYGCZDYYAASY-UHFFFAOYSA-N 448.457 0.102 50 20 ICGD C[S@](=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 797921656 LMANNSHMBCBJRO-ZOKDDAQRSA-N 432.454 0.497 50 20 ICGD CCOC(=O)[C@@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 802709290 LMWOYAGBRWPENP-CQSZACIVSA-N 445.501 0.532 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N=c2ccnc3n(C)[nH]cc2-3)c1 806488847 SJKMYVULUNQQCM-UHFFFAOYSA-N 445.505 0.839 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc(O)c(Cl)c1)C(F)(F)F 806564439 BVOBAUZPWIRYDI-SNVBAGLBSA-N 432.808 0.812 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810309481 WYJOEYQTCAKFCX-UHFFFAOYSA-N 430.442 0.289 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 811455498 JDVIJFCJMZSOAN-UHFFFAOYSA-N 430.450 0.042 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)cc1 813033330 NYTYQUGQFMLLLM-UHFFFAOYSA-N 431.474 0.755 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)c(Br)c1 815691265 KFLKICZADHNSJF-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 818787311 AWQZJDDRUUSTQW-NSHDSACASA-N 426.451 0.762 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C[C@@H](C)O1 912924584 ACSOPHIXKMBFGJ-YVYLTUATSA-N 438.550 0.614 50 20 ICGD COC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 913176837 AHNREPFOYDLPPX-SECBINFHSA-N 436.284 0.907 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 916518972 SZESWXCDFZDJKY-UHFFFAOYSA-N 429.319 0.712 50 20 ICGD COc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 916611186 DNGNWAOVOQYGTM-UHFFFAOYSA-N 449.485 0.556 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 916622244 BWUNERACKLWEPW-CYBMUJFWSA-N 430.527 0.901 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CO2)NNC(=O)[C@H]1COc2ccccc2O1 918057066 CFISMMYKIYXFEX-MRXNPFEDSA-N 427.369 0.162 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccn(-c3ccncc3)n2)CC1 1343831074 GBSXFMCDPKMOPR-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331892 RMUIWXMUOQMSIX-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CC(C)n1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1C(=O)O 1784086547 MWQGJFLMIRAXON-RKLWJJNISA-N 442.900 0.355 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1785682443 PGJMDRUKQQTLJS-FZKQIMNGSA-N 449.907 0.375 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786818933 AIAIWXMIGOFPTQ-LULZSRGJSA-N 446.552 0.474 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288587 ICTWYDTXDOFDOB-ZOBUZTSGSA-N 433.509 0.057 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792872919 GMALRGVLCBDBPU-NZBFACKJSA-N 432.359 0.912 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1OC 1792975065 IMYDKQHEPAYGBX-QOIOWGMHSA-N 440.924 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)NC(=O)CC2 1796569232 YBPLIOKVFANQNP-MUJYYYPQSA-N 442.520 0.591 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2 1797754431 WYMOQXAKNWAMFZ-BKRRIZPZSA-N 449.511 0.692 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnn(Cc2ccccc2)c1 1798150548 YADPRQPKXCUTCM-RDGPPVDQSA-N 432.908 0.734 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)CNC3=O)C2 1798440741 YYKOJAXGFQSBMJ-MUJYYYPQSA-N 448.483 0.494 50 20 ICGD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1OC 1799660181 JQIYVMGVHSKCAK-DDFXLWFNSA-N 430.860 0.646 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1802041483 PVAXIBYNRWLNBV-WTNVTLLGSA-N 443.878 0.997 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1803008460 KIAKBMYOBISVSF-ZLDLUXBVSA-N 425.331 0.601 50 20 ICGD CCc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806030845 QIDRVYFUEZXKGQ-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026057 PCURMJHGZFMAJB-IJEWVQPXSA-N 432.845 0.830 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364789 KDQPIDZHFBLRPI-QAPCUYQASA-N 437.290 0.246 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1(O)CCC1 1814422747 RTTHRWYXPHWDSZ-KSSFIOAISA-N 440.309 0.947 50 20 ICGD CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1817689873 DAQKVSYGFZRWGS-GFCCVEGCSA-N 448.553 0.914 50 20 ICGD O=C(CCn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059871 KDQSNULVFDZOHA-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](F)Cl)C2)C1 1828523389 NWIULEVRPYWKOT-LIRRHRJNSA-N 443.859 0.284 50 20 ICGD O=C(c1cc2sccn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724089 VRHXZTSCGTWUAY-RDTXWAMCSA-N 427.910 0.671 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC3CCC3)CCO2)C1 1831070635 XOZJCLGXQFARAQ-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835156841 ALQJCWNFUDXOIA-YLJYHZDGSA-N 426.897 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835584483 DXLQMKSIFMGABC-XLIONFOSSA-N 443.903 0.948 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1835935713 NIMXWTKIHHAJIC-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839142719 XTGWZHWELWEUHL-MGPUTAFESA-N 435.912 0.905 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839199825 VKVKRGBOKSMHPF-VKJFTORMSA-N 445.285 0.867 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203836 YJNZJXKXDNBCFB-NVXWUHKLSA-N 445.289 0.556 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648470 NLVKZHNJEBANGO-OTMSEOJESA-N 446.342 0.656 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193505 JREILHMNGYAKNN-HOTGVXAUSA-N 443.349 0.497 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840331065 ZRHPYDANETVRNX-OXFYSEKESA-N 425.913 0.316 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263410 BANCVTVXPJLZDX-HXUWFJFHSA-N 448.527 0.559 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CCn2cc[nH]c(=O)c2=O)c2ccccc2c1=O 726869270 NMWLCUBWRDHPPM-UHFFFAOYSA-N 440.460 0.288 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(=O)N(C)CCc2ccccn2)nc1 727607372 FFPPHWGFDNIVHA-UHFFFAOYSA-N 449.537 0.491 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 727761609 SQHXBFBYGJLYMW-OKILXGFUSA-N 426.539 0.684 50 20 ICGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728846052 UOTDZKUJFYQGHN-UHFFFAOYSA-N 429.481 0.095 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)NCC#N 731186144 KFIURCAZGBGQMK-UHFFFAOYSA-N 440.441 0.521 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2=NNC(=O)C2)c1 732259348 QGNIZJIQGDVTTF-UHFFFAOYSA-N 431.430 0.133 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 732301511 BQRYQQSGRNKRRA-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732594738 HWIJRGBBHHCTDU-CQSZACIVSA-N 427.461 0.782 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 743853439 HNDWQTDIJSWJSP-UHFFFAOYSA-N 427.442 0.165 50 20 ICGD CC1CCC(NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)CC1 744395147 UFNAGMSYBZGMOH-UHFFFAOYSA-N 440.548 0.632 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744556836 TUVJFRSLKULWGF-UHFFFAOYSA-N 448.432 0.566 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 748048962 CWGYDSRSABSALS-UHFFFAOYSA-N 442.501 0.971 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C)o1 752527951 SFAWDOIRNFJSTF-AWEZNQCLSA-N 437.474 0.591 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 755557493 JIOGARJPNJFGNC-SECBINFHSA-N 434.400 0.982 50 20 ICGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)nn1 757409159 YWGZJLPWHXDWBX-ZDUSSCGKSA-N 429.506 0.970 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)c(F)cc1I 758059044 ZPKWUYAVYDWTQH-RXMQYKEDSA-N 447.201 0.268 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)C(=O)Nc1ccccn1 758837426 BNDHPICAPISVKA-AWEZNQCLSA-N 445.501 0.728 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 760172625 MVEYYMUKTXHSOD-SCLBCKFNSA-N 447.854 0.971 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 763658739 AUGRXBCNOJCHLU-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 763682104 OFPVBFJDLBCUSB-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763760203 HARPMHYWARFYTQ-UHFFFAOYSA-N 427.461 0.667 50 20 ICGD O=C1C[C@H](c2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])c2)CN1 763803178 IJJSENZWXBKXGA-ZDUSSCGKSA-N 441.400 0.363 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Br)c1 763916662 ITHXZHQYFRZHKW-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ncn(Cc2ccccc2)n1 763996205 WHQNHJNWPIOIIZ-UHFFFAOYSA-N 432.238 0.817 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c1 764125114 RSWAHHARHNCLDA-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c1O 764132400 OBEBVECBXSFOMR-UHFFFAOYSA-N 444.444 0.576 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 764435315 UIJDYCGEEOHWJX-CQSZACIVSA-N 446.382 0.043 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 772017196 JUUOLMUKMDWYJE-ODXCJYRJSA-N 436.440 0.718 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 772630987 NKYVLVQDNYVTIK-UHFFFAOYSA-N 426.520 0.917 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ncc(Cl)cc2Cl)cn1 773678645 SCGSKNHYVXAYAK-UHFFFAOYSA-N 443.295 0.345 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2cnn3c(=O)cc[nH]c23)c2ccccc2c1=O 774326438 HORNBOVIPQJQCF-UHFFFAOYSA-N 435.444 0.998 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1C(=O)NCC(F)(F)F 775675895 NKJSPJWPDPQGBQ-UHFFFAOYSA-N 448.423 0.844 50 20 ICGD COc1ccc(F)cc1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 776145976 FDZBLKFDTPHNKK-UHFFFAOYSA-N 437.497 0.851 50 20 ICGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 779380093 LGTDICIYSORDFX-CQSZACIVSA-N 440.570 0.402 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ncncc1Cl 782165592 HZDOAKVZEHRJLS-UHFFFAOYSA-N 442.885 0.861 50 20 ICGD COC(=O)CSCc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783424383 DBYIDGITOSWOEO-KRWDZBQOSA-N 429.520 0.229 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NN(C)c3ccccc3)c2)CC1 783425744 UCOHCDIPHOPGKR-UHFFFAOYSA-N 431.518 0.729 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 783426620 ICJIYMDIXUMNHG-VPZZIHKRSA-N 442.513 0.576 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCS(=O)(=O)C1 783428312 UORVNPOLPPCYAZ-LJQANCHMSA-N 449.558 0.842 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 784682757 MBPPUXOJIASHSX-UHFFFAOYSA-N 447.469 0.480 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)ccc1S(=O)(=O)N(C)C 784828692 RGEIXFPCMVNNJO-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 788290621 HADBSVBBWOKNTO-UGSOOPFHSA-N 425.397 0.856 50 20 ICGD O=C(COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 792816013 IBAXUFLTAJMUCP-HNNXBMFYSA-N 447.425 0.860 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 794797136 YVOIBVYUGDWXPI-UHFFFAOYSA-N 436.490 0.796 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 795168221 JYVXEHRUMUOEMP-UHFFFAOYSA-N 430.508 0.846 50 20 ICGD Cn1nnc(Br)c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 810909974 UVMWLYGJJIANFB-UHFFFAOYSA-N 431.110 0.018 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 913081561 UFMKUCTXMYXPGN-QGZVFWFLSA-N 429.408 0.724 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 914564455 FZKPGEMOEFGFEP-CQSZACIVSA-N 446.890 0.893 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3cc(C)ccn3c2=O)cc1OC 915548868 PLUKREAKOMBBJL-UHFFFAOYSA-N 440.412 0.638 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCC(C)C)N(S(C)(=O)=O)CC2 915884013 OLAKDNSRCLVOHP-OAHLLOKOSA-N 442.538 0.939 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C1=NN(Cc2ccccc2)C(=O)CC1 916136659 VNLSAXFSNCNXBJ-UHFFFAOYSA-N 442.501 0.919 50 20 ICGD CCCS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 919809384 OYLXHUMBGRAUBN-UHFFFAOYSA-N 442.501 0.974 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC(F)F 919888949 IIMZYMFPPBACLC-ZETCQYMHSA-N 438.365 0.336 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 920826035 OESZONFYCJLCEI-GXDHUFHOSA-N 434.518 0.469 50 20 ICGD CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NNC(=O)c1ccccc1 1319873724 RHHVVFJAXWVSQD-INIZCTEOSA-N 434.493 0.932 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778490947 CBZCYGFDIGKCEM-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1781233153 QBDHYFOVHXNWDV-VBNZEHGJSA-N 427.350 0.630 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1781674186 XKGRSOWOCCZLLZ-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1781899902 HCOHWVRKQBGNOB-UYAYXHRUSA-N 447.374 0.267 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783880509 CNVFLLXMECWTKX-KUHUBIRLSA-N 437.884 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1783933547 ABNMPKBZPIYHPR-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980811 GVQZNDUITNGIHF-UONOGXRCSA-N 434.242 0.731 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368829 BPHPQUZABBZAPI-HLIPFELVSA-N 439.944 0.694 50 20 ICGD Cc1ncc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1784437841 GGESRLIBMULVOF-HXUWFJFHSA-N 444.517 0.136 50 20 ICGD C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785079781 ZONUWXZTZFUKRA-YTFOTSKYSA-N 433.933 0.479 50 20 ICGD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C[C@@H]21 1789882700 XTALBKRHYBINGD-IJFVLIARSA-N 446.454 0.986 50 20 ICGD CCO/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791460599 XWZFCEYGUJLSOW-LDKNVQJTSA-N 431.493 0.650 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795493517 XTPXUVDVFAPAQW-XGUBFFRZSA-N 433.299 0.904 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347255 GRDABQVWJUYMDG-RBLKWDMZSA-N 429.271 0.265 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)[C@@H](F)Br 1799350400 YTCKQVBUTXRBTJ-IQOUGMIPSA-N 445.289 0.819 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(F)c1F 1801012086 BMLRSELUUTUNPA-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801442286 RZGBJMQUIMYOEL-XPCVCDNBSA-N 426.311 0.828 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncc(S(C)(=O)=O)c1)C2 1802273981 PRXAJEHVDHPHKX-FQLMCAECSA-N 429.926 0.991 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@H]1c1cccnc1)[C@H](O)CCl 1803143130 UVXTVCMGFCJNGV-SCRDCRAPSA-N 437.802 0.793 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803565461 VRVFASWTYIMOCB-PBEJRMEISA-N 437.305 0.672 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1808407489 AIRQJFKGTSPAJO-DZEPHYLXSA-N 440.504 0.992 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814227600 FPRMYYBJYBGFQG-IPYPFGDCSA-N 426.315 0.929 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335628 IGYXZYZFEFIIGO-CJNGLKHVSA-N 431.323 0.456 50 20 ICGD O=C(Cc1cnc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817045637 YICDVQMHVWSMFB-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CCCN1 1820819493 GVJWPHJDUXCHJY-HRAATJIYSA-N 440.508 0.856 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Br)CC2)N1 1825075211 ADFQCTXYJLYLPY-SCRDCRAPSA-N 447.305 0.895 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1830537592 KYIAXWUWCOIAPR-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n(C)n1 1830538252 ZWCKMGBFANVPED-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719825 LTSQWSKLYBYNSU-NQIIRXRSSA-N 435.908 0.547 50 20 ICGD O=C(c1cccc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728351 RWJALMOUHTZASM-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730566 BNKPTACBJNLVKT-KYJSFNMBSA-N 436.958 0.302 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](Cl)COC)CC1 1831830709 HETQQDUYINBYTL-BZUAXINKSA-N 433.933 0.924 50 20 ICGD CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1831871656 WKCRDJSQBOULEH-DLBZAZTESA-N 439.557 0.042 50 20 ICGD O=C(c1cccc(O)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834193691 XYUYCBJOEKCFKJ-BBRMVZONSA-N 432.246 0.548 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C)CC2)CC1 1835118346 RXOPPLQGKQILMR-PCLIKHOPSA-N 445.568 0.254 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccs1)CCO2 1836092034 NGXXRYVTQHUTRU-FQEVSTJZSA-N 438.550 0.120 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837105718 AFBBSCFVQTUKPF-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837714534 KJSSPIDFIJNXJZ-NRFANRHFSA-N 449.580 0.707 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837714782 NJZSWWYEWSZIIW-HIFRSBDPSA-N 441.370 0.985 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)C1 1839063989 LGVVLQRZBOKYCS-MAUKXSAKSA-N 432.359 0.570 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839419467 CIOFFAFXGFZVBH-QFBILLFUSA-N 425.844 0.367 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1839962599 LHXIPRZBVBBZKW-NHYWBVRUSA-N 433.328 0.782 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839964628 XNCIHJVOFMPPNJ-OGHNNQOOSA-N 449.346 0.063 50 20 ICGD O=C(c1cc(Cl)nc2n[nH]cc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013696 BCZRTHUJTOPLMU-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014776 ZTRKBBDWNDBTAZ-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD CCOc1cnc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)cn1 1843415639 VIZSDXHSTNTHSG-AFUMVMLFSA-N 439.476 0.826 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 16098488 DASHKPBQACEMGA-UHFFFAOYSA-N 439.519 0.870 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)c1cc(Br)c[nH]1 24122241 ICVLSJATOKRQLT-GOSISDBHSA-N 446.261 0.932 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1OC 726277760 QRTUTCFJSYHXHV-INIZCTEOSA-N 435.525 0.981 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 726540294 CYWCULFLLFUWPI-CQSZACIVSA-N 440.909 0.673 50 20 ICGD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728385089 KDYVJSFODHZKEE-HNNXBMFYSA-N 440.481 0.890 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728386696 ILPCAGAODSUGJE-OAHLLOKOSA-N 445.563 0.232 50 20 ICGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 728889670 LVQKRYBCVKKJTC-UHFFFAOYSA-N 437.460 0.346 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CCNS(C)(=O)=O)nc2ccccc2c1=O 729279911 VMLCLCWCEZYFLY-UHFFFAOYSA-N 425.511 0.594 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 734256760 KYPIOCBNPWMOPL-CABCVRRESA-N 444.517 0.634 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 740903951 XGJHVATWVOOMHU-CHWSQXEVSA-N 445.567 0.588 50 20 ICGD O=C(Cc1cc(O)nc(O)n1)NN=C1C(=O)Nc2c(I)cccc21 743446587 ZJHXDRVFOKKNQR-UHFFFAOYSA-N 439.169 0.508 50 20 ICGD C[S@](=O)CCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 745850466 XZGGIONWVRHCAP-SANMLTNESA-N 430.533 0.871 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746387581 MKNQBZZQXUCRKV-CQSZACIVSA-N 440.953 0.760 50 20 ICGD Cc1nc(C(=O)NNC(=O)Cc2cn3ccccc3n2)nn1-c1n[nH]c(C(F)(F)F)n1 747422960 UDAKKVPFVQEKQH-UHFFFAOYSA-N 434.342 0.364 50 20 ICGD O=C(NNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)[C@@H]1CCS(=O)(=O)C1 747692529 PNGJNSDHJSNKIY-GFCCVEGCSA-N 436.458 0.960 50 20 ICGD COc1ccc(NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c([N+](=O)[O-])c1 749918330 FNBVJEJGRYRNJM-UHFFFAOYSA-N 438.408 0.924 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnnn1C)N(S(C)(=O)=O)CC2 751135554 ZIFYLKYMRZTZHL-OAHLLOKOSA-N 436.494 0.232 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)COc3ccccc3O)ccc2O1 751988139 NBDMHHFVXGKYDC-QGZVFWFLSA-N 436.442 0.647 50 20 ICGD COC(=O)c1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 753160552 KWUWVZOUCPUQLN-UHFFFAOYSA-N 448.501 0.905 50 20 ICGD Cc1cc(I)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 758055945 QRQPTKOOFNQXKJ-SECBINFHSA-N 439.275 0.607 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 758059058 ZSNLPFYSQBWFAL-UPJWGTAASA-N 441.510 0.776 50 20 ICGD COC(=O)c1cccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 760154802 UYDDQUZCIBKOOJ-UHFFFAOYSA-N 447.517 0.490 50 20 ICGD CCCCS(=O)(=O)NCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 761135309 HCPWBOWUTHIPNO-UHFFFAOYSA-N 425.555 0.066 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)C(=O)N1 763552114 WRGJNWIRMHBMKA-ZDUSSCGKSA-N 438.396 0.020 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccccc2N2CCCC2)c2ccccc2c1=O 763785685 LACVCJSSAYSWJZ-UHFFFAOYSA-N 434.456 0.933 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814076 OHJZFYLXCVARCM-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1 763821402 PKEDFCSBDWXCIF-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764159744 FQTJQVGBWCJUGL-UHFFFAOYSA-N 436.446 0.009 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764294820 DQIHSEIIVRCWPC-UHFFFAOYSA-N 429.481 0.268 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)n1 764297345 PALLMEZODQGSIY-UHFFFAOYSA-N 425.405 0.101 50 20 ICGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)c1OC 764817409 PEYRKMUWRLBQIL-UHFFFAOYSA-N 434.840 0.255 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Oc3cccnc3)cc2)n(C)c1=O 765729709 ZFMCZQNGTSQEJO-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD CS(=O)(=O)CCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765759859 XYAOKASXNSOLOD-UHFFFAOYSA-N 430.958 0.430 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnc(Oc3ccccc3)c2)n(C)c1=O 766641483 YRWSESHSOOABFK-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 768387667 UOVKBDJQVGJVOX-FQEVSTJZSA-N 449.515 0.945 50 20 ICGD Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769956225 WOGVBSQNJZAFRH-GDBMZVCRSA-N 425.453 0.196 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cc1 770966639 NEMDYQFEAIJFQB-UHFFFAOYSA-N 443.489 0.955 50 20 ICGD COCCOc1cccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 772223760 VZFMJGAOXHTVBY-UHFFFAOYSA-N 435.502 0.966 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nccc(OC)n3)cc2)CC1 773726196 KYOFTSYRJUXZCK-UHFFFAOYSA-N 441.492 0.274 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 776078027 SGVMLAVYIKKYDY-DNVCBOLYSA-N 425.507 0.749 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)cc(OC)c1OC 776885685 PXTDFOQIXLMDIC-ZDUSSCGKSA-N 425.438 0.579 50 20 ICGD CN(NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F)C(N)=O 778415516 JAQQYGBQHXWKBK-UHFFFAOYSA-N 439.263 0.264 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cn4c(n3)CCCC4)CC2)cc1 779837964 TZJKPUVJCDCACM-UHFFFAOYSA-N 446.577 0.655 50 20 ICGD COc1ccc(NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)nc1 782050610 YCYXKAXJHSGDLP-UHFFFAOYSA-N 427.421 0.732 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ncncc3Cl)cc2)CC1 782160318 PRAKDDBVDZXZEN-UHFFFAOYSA-N 431.884 0.528 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003797 OVRIWKFJIMBQNZ-UHFFFAOYSA-N 442.457 0.464 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 784846652 VHGTUDDIRBLWQK-INIZCTEOSA-N 441.444 0.186 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cc(F)c(F)cc2F)cn1 784891933 NHHQTHAIKDWHSR-UHFFFAOYSA-N 427.387 0.060 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1C 789375291 SDYALMLWGWXJNM-AWEZNQCLSA-N 428.580 0.880 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)cc1 790784019 JKAKRRSVWZPBBX-NRFANRHFSA-N 436.516 0.848 50 20 ICGD CC(C)[C@@H](NCC(=O)NNC(=O)c1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 791622872 FURVPMAGSUPUAZ-LJQANCHMSA-N 427.509 0.258 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@H](C)O)cc1 791871923 BSPCGTGRBXABKO-LIRRHRJNSA-N 446.485 0.121 50 20 ICGD N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 792238806 YIVOYBZPVJPQNM-NRFANRHFSA-N 444.495 0.846 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1 792774086 NRIFVYNIZYMYMG-UHFFFAOYSA-N 443.547 0.590 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc(Cl)cc1C(N)=O 793026487 RFSUIYKRSKATQJ-UHFFFAOYSA-N 434.836 0.872 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1F 796989247 BPQZYLUKPWUNSB-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 802065743 AJXLXZBBWSKNJJ-INIZCTEOSA-N 444.473 0.363 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNc3ccc(-n4ccnc4)nn3)cc2)CCN1 804947066 UAIVKMDKDRNATL-UHFFFAOYSA-N 435.448 0.061 50 20 ICGD CN(C[C@H]1CCCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1)S(C)(=O)=O 805109232 CPPVQHGTXIPJDK-OAHLLOKOSA-N 434.522 0.830 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 807371497 JILCQGCLQHUTSF-AWEZNQCLSA-N 444.554 0.996 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)n1 810405711 LKCBFTZTRXPWNF-KXBFYZLASA-N 445.439 0.798 50 20 ICGD COCC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1F 814785563 WWRPKZBLXUXAIZ-UHFFFAOYSA-N 429.861 0.531 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052415 AHLZWTJMRMHXTM-UHFFFAOYSA-N 432.506 0.815 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052755 OEZJPZSQPNNHKP-OAHLLOKOSA-N 432.568 0.974 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 838612546 AVKRSPNHHXDBIS-UHFFFAOYSA-N 449.515 0.931 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 916099861 PESDUADPCNIEPV-UHFFFAOYSA-N 449.533 0.517 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C(F)(F)F 916133544 XDRLZYFVCHPFKQ-UHFFFAOYSA-N 425.776 0.815 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)c2ccc(F)cc2)ccc1Cl 919690096 IZRQPRCRDWVUTR-UHFFFAOYSA-N 442.856 0.708 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N[C@@H]1CCS(=O)(=O)C1 919886777 UTCIGRFTAKHUCZ-SNVBAGLBSA-N 439.444 0.770 50 20 ICGD Cc1c(NC(=O)CSCC(=O)NNC(=O)NC2CC2)c(=O)n(-c2ccccc2)n1C 920766542 SAOULNIMEVMLGG-UHFFFAOYSA-N 432.506 0.649 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 1777842312 ZTCAEBHIKOQUPW-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1781092594 FMYFSHCFRQXCJG-XLIONFOSSA-N 426.634 0.304 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940775 PXGMOXGUSOKNCR-FQEVSTJZSA-N 449.464 0.117 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782049874 GUXSWUKBOWXGEF-APWZRJJASA-N 440.884 0.704 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566818 KJBZJZABAWMCQG-HXUWFJFHSA-N 445.384 0.052 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783873085 KHHPOKBCLBASDD-IFXJQAMLSA-N 426.901 0.218 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(O)c1OC 1784092903 XLFFKSXDWUFIBI-PCBIJLKTSA-N 442.896 0.602 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCCCC3)[C@H]2C1 1788165204 MPDZGOPINPRMEF-WDSOQIARSA-N 432.301 0.632 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1788988247 NCXYWWXLLRDKAR-IWEFOYFVSA-N 442.476 0.143 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1790960987 HDLFYTOLDTVAMJ-FMSGJZPZSA-N 429.315 0.893 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(=O)c1ccccc1 1796187957 POCBXLVIHVZINI-WKCHPHFGSA-N 449.316 0.390 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)[C@@H]1SC(=N)NC1=O 1797956041 XAKPPBSFJFDEFR-QIRZIZBZSA-N 442.614 0.230 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(c1)C(=O)CC2 1799959279 YDZWQTYLAVHXIK-OPMZPASUSA-N 448.284 0.012 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801009295 ZDUHRCWPEXJFAP-BBIADKPPSA-N 441.532 0.453 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013041 RKAIDJFAOMJJGL-OQMKEHIESA-N 433.347 0.123 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccoc1 1801483429 WEUAWCSQXLGSKG-NAMOIKSGSA-N 441.488 0.936 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803543201 KSSYKTHWSQXJRV-LKUPVBHCSA-N 435.289 0.119 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365873 WPUOCTDKJSFIOQ-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)[nH]1 1807367075 XCZYXZNHXKILOG-XLIONFOSSA-N 433.277 0.426 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)o1 1810052957 QQOKHJYDCROJEP-UHFFFAOYSA-N 441.492 0.464 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807648 AMHIIWJBGGRMEV-BEPCFFQHSA-N 436.365 0.884 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1817117523 KNWDRVZQHSBTBI-KBUNVGBDSA-N 425.833 0.634 50 20 ICGD Cn1ccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795565 ONDHJGHBOCSXPL-JTQLQIEISA-N 440.489 0.415 50 20 ICGD CC(C)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820004639 ICKRTQNQMYDMMO-WFASDCNBSA-N 431.323 0.862 50 20 ICGD Cn1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055298 XHIJJJVMTJVOEC-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1830547021 ZEFOAWVODHCLSN-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD COc1ccc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733319 IJUCZCKXDUESNV-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831647830 ZBZOPNBATYBZFK-GHTZIAJQSA-N 445.004 0.488 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1831652263 XHVQIFXPQHLMIO-RDTXWAMCSA-N 434.990 0.334 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831861699 JUNSGQMXONTGOS-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1832406068 KMJGSERMOKSZHK-XLIONFOSSA-N 431.961 0.163 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1832930696 MVISFNLDRZTLSI-BZNIZROVSA-N 431.287 0.160 50 20 ICGD CCN1CCC(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833313476 IGMUQICFODTCTO-LJQANCHMSA-N 429.005 0.890 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cccc1=O 1833873339 VJAMSONAWVPZLY-YOEHRIQHSA-N 446.273 0.146 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837462625 PFWXOJWTHFZTQG-SFHVURJKSA-N 434.990 0.192 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837672565 NZLMNTFZILQBLD-KSSFIOAISA-N 448.358 0.533 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838536642 ZYQBXRUAYNJHCG-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839712411 WUKCMVZGMLWUNR-KSSFIOAISA-N 443.342 0.679 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840176992 LFZWRBRTRWMVRZ-OALUTQOASA-N 434.917 0.324 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840192936 LKJDQPHQNCCFPY-QGZVFWFLSA-N 434.587 0.112 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840584670 GRQMZUVWPKCJKM-FUHIMQAGSA-N 431.961 0.569 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840801739 IYKMRCFPCHMUKX-KSSFIOAISA-N 437.896 0.892 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2c1 1844050424 DSWVZRCLBVUUTB-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1844264867 SLFBNZQPIZBNPU-UHFFFAOYSA-N 440.416 0.430 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848099932 VFGXFIXQZLNNHW-AJNGGQMLSA-N 442.944 0.941 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1n[nH]c(=O)c2ccccc12 109905521 NNSXPHOBPCHICY-CYBMUJFWSA-N 447.498 0.599 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc2c1=O 727798946 HOHJKJTYCIXWNI-GFCCVEGCSA-N 441.366 0.858 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 728728075 PCXZMCJTUNYZEZ-UHFFFAOYSA-N 443.485 0.863 50 20 ICGD CCCCOc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 730569043 KIIZLMONVYXSHN-UHFFFAOYSA-N 435.506 0.909 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cn1 735462835 XFQKEPYTLOLSII-UHFFFAOYSA-N 443.272 0.896 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)c1csc(N2CCOCC2)n1 743250145 BNMRLBJNDVFDNC-UHFFFAOYSA-N 446.894 0.955 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 745863472 VINUDBFIXWPYQS-INIZCTEOSA-N 443.552 0.805 50 20 ICGD O=C(CSCC(=O)Nc1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 748344112 VFQDRRALLWEDMN-UHFFFAOYSA-N 443.323 0.891 50 20 ICGD CCOc1c(OC)cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 750932517 OFDRSJPGGPKYPY-UHFFFAOYSA-N 437.478 0.137 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1 751261753 YJPIDTNTHBCFFW-UHFFFAOYSA-N 444.491 0.367 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC 751538702 NSLPICLPHPTRAF-SFHVURJKSA-N 449.485 0.871 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 755062394 IQXLPLYKHKNURC-JTQLQIEISA-N 434.312 0.531 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 756202690 CHVCHKUYWBGQMZ-CYBMUJFWSA-N 446.551 0.492 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccn(CC(F)(F)F)c1=O 763573270 RNLZNBOLTKFFKZ-ZDUSSCGKSA-N 440.334 0.337 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 763661972 RNCSIDVNWPROIZ-UHFFFAOYSA-N 428.445 0.491 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763863698 AYGMVRYQCAFJJZ-SNVBAGLBSA-N 428.376 0.605 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 763917607 ZGKBPBFJQZKLBY-QRTARXTBSA-N 449.475 0.928 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(-n2cccn2)nc1 763950231 VJGYNRQLAYBLPM-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764113203 VBTRDMQMHXAWSP-UHFFFAOYSA-N 436.412 0.900 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 764225557 AACXUZHHNLCJMI-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764278637 SQNILLCRCDSYAY-UHFFFAOYSA-N 440.412 0.206 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CSc1ccccc1O 765247420 FPJQBRIWXRCMJW-UHFFFAOYSA-N 434.499 0.761 50 20 ICGD Cc1cc(C(=O)NNC(=O)CSc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C 765247942 BIEWDRSEDDMACK-UHFFFAOYSA-N 429.458 0.200 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 765754909 AJOBGDGCQYFVCQ-OAHLLOKOSA-N 428.942 0.040 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766646072 FFGLYXSYHXIJNP-KRWDZBQOSA-N 447.561 0.293 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 771888357 MFKNBJFRFGPLFP-MJBXVCDLSA-N 441.506 0.587 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3coc(C4CC4)n3)CC2)cc1 777274749 LPVYDYXHWROARG-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780908256 AWXWBIOBNHCATI-CQSZACIVSA-N 441.423 0.752 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1OCC1CCOCC1 783427991 SEQQIDWGMBTGLQ-FQEVSTJZSA-N 439.534 0.937 50 20 ICGD Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 785158018 CTWIPIDMCAGQGH-UHFFFAOYSA-N 433.428 0.571 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 802335489 FMDYJNQNLDZNFZ-AWEZNQCLSA-N 443.485 0.936 50 20 ICGD O=C(NCCn1cc(Br)cn1)NNC(=O)c1csc(N2CCOCC2)n1 804868143 XQQAZQXHDGCLRI-UHFFFAOYSA-N 444.315 0.583 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 806977980 HLUNDOKNCAXCIQ-IUCAKERBSA-N 440.400 0.040 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1OC 811455883 YFAJFCRVXULUOV-UHFFFAOYSA-N 433.450 0.101 50 20 ICGD O=C(NN=Cc1cnc(N2CCCC2)nc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 914772185 NDLJJTNQJOBUNS-UHFFFAOYSA-N 444.517 0.862 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CC1CC1)N(S(C)(=O)=O)CC2 914832737 WDVLECFBCPESKV-OAHLLOKOSA-N 425.507 0.900 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 919779778 ZFXVROQKHGUKNS-GFCCVEGCSA-N 444.477 0.276 50 20 ICGD O=C(NCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 919788459 OCIHKTCJYLSVJD-UHFFFAOYSA-N 444.473 0.220 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 920858128 VCGLNPOGOPSRDN-UHFFFAOYSA-N 440.263 0.505 50 20 ICGD O=C(COC(=O)[C@H]1COc2ccc(F)cc2C1)NNC(=O)[C@@H]1COc2ccccc2O1 1320296051 DVRBWOOHDFXOFY-ACJLOTCBSA-N 430.388 0.907 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCc1cscn1 1337771286 WPMDIUDYPBHYDI-GFCCVEGCSA-N 440.503 0.862 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778230581 SSXICDIUVHHEBE-STXHMFSFSA-N 445.944 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 1780709448 ZSPWWGLPFOTDMO-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781223992 GTGYWBYLTRUUJM-DAXOMENPSA-N 429.366 0.733 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332832 FOVZHEQZTPBHND-CFVMTHIKSA-N 425.251 0.123 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784093489 XLOLHPHBDHLJHV-TUUVXOQKSA-N 445.944 0.433 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cncn1-c1ccncc1 1785751211 SSYJGVUSLFDOSK-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110506 IZRNKVQWRYANJT-ZWUHOBOKSA-N 429.926 0.478 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccnc1Cl)C2)c1ccc(B(O)O)cc1 1795732419 DFRZXSBYLXLYQE-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2ccccc12 1796775621 ZIWFUROXSNTDSZ-MFKICJERSA-N 439.516 0.811 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)ccc1Cl 1799578667 YTFRGFROSSKNMM-HBCWATKFSA-N 446.671 0.676 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1800333357 JVRVHTIDSHWNGH-RMRMTIIFSA-N 443.410 0.337 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1800974434 UVVFIPQTNBMWDY-KPEUIFRASA-N 425.869 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803145939 JSJJXBZLKVAHGZ-RKVPGOIHSA-N 425.917 0.060 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340421 DELVAABVXAKDNH-ZQIUZPCESA-N 440.342 0.465 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(C)(C)C)[C@@H]1c1cccnc1 1813071396 PHNJMPNFJMIPMS-LAUBAEHRSA-N 432.569 0.849 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814874042 XNDFASDIKMHBNZ-ZIAGYGMSSA-N 435.872 0.314 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C13CC(F)(C1)C3)CC2)c1ccc(B(O)O)cc1 1815337319 RLQVRNRXIIXZNQ-JYMLRBTQSA-N 429.282 0.941 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819709469 JGNNSULFZXRJGU-WMLDXEAASA-N 443.334 0.622 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCC1)CC2 1819790888 KWPPIIVZYGAUST-LBPRGKRZSA-N 443.533 0.463 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820162810 ROTZEPDVYQCVEQ-CQSZACIVSA-N 447.398 0.900 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822705212 LWSBAOGFQZLREG-BFHYXJOUSA-N 444.001 0.945 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822859394 CDUGKSNYKFODPQ-BCTVWOGZSA-N 448.332 0.843 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826937308 CXXJIVQYTFADLX-QEJZJMRPSA-N 431.375 0.982 50 20 ICGD C[C@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924681 XRVDACOYTDVPQU-KBXCAEBGSA-N 430.509 0.053 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538483 GOGIOWHXDMRKHG-BDJLRTHQSA-N 430.303 0.214 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1832296913 FUOBTZOCLMOJTM-SUMWQHHRSA-N 434.331 0.095 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1)[C@@H](O)CCl 1833310069 HKZNHEHEZINIHK-SFHVURJKSA-N 434.928 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835329249 PDUFJCMOTDXVKQ-QGZVFWFLSA-N 438.447 0.158 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cn2ncccc2n1 1835392330 LGSKVIVUTMDQFA-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835960321 YLYKPFXWFXWEMT-KNBMTAEXSA-N 441.912 0.572 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836162486 VUJSUONCHHMXME-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD O=C1C[C@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)CCN1 1836563348 GNIVGSYINWIXLF-CQSZACIVSA-N 443.386 0.869 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097533 QWYYMMMARYNSRM-SCLBCKFNSA-N 441.326 0.683 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171470 QQSSLSGQCSWIJK-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837715086 UYZLILAYCMHKBR-LJQANCHMSA-N 440.573 0.350 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)C[C@@H]1C)CCO2 1839089206 NWYBSPZGMVXDKJ-SUPZRPJXSA-N 445.520 0.623 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561960 BOUIUXUWEMEEBL-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840031864 DWINAEFMGOVRQI-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840036766 QYTKUFZJEMYOJV-SCLBCKFNSA-N 442.310 0.570 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1840152344 FZNBFKZNTZAVGH-LAUBAEHRSA-N 438.908 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1840182570 GFLZARUEBWGLGZ-IBGZPJMESA-N 432.949 0.081 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)cc21 1841351742 BCHHODBRRJPNBZ-QGZVFWFLSA-N 443.891 0.914 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1844791972 FIXMOSXMJKHLOS-UHFFFAOYSA-N 431.493 0.448 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846211924 WTTDUJLSGLYFQF-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cccc([N+](=O)[O-])c1 27742789 MMHYZPPMNHLEOT-UHFFFAOYSA-N 435.414 0.991 50 20 ICGD CC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c(F)c1 725872277 MHMFUUAZPSVIAQ-UHFFFAOYSA-N 431.424 0.914 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 726379924 WCCONRQUPHBYNP-GFCCVEGCSA-N 447.455 0.872 50 20 ICGD C[C@H]1CN(C[C@@H](C)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 726448960 LSVCHHVCRABTKL-MCIONIFRSA-N 443.595 0.075 50 20 ICGD O=C(NCCn1cncn1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 726709239 JZQRFDODRJDSTB-UHFFFAOYSA-N 432.448 0.624 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018119 GLGLMNVHOLYDQY-ZDUSSCGKSA-N 427.552 0.832 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 728203964 QNNAQSUOGAABQZ-MRXNPFEDSA-N 449.533 0.962 50 20 ICGD Cn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 728335280 ZJFASYOQZVSCHZ-MRXNPFEDSA-N 426.385 0.423 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)n1 730204909 GAZOFZTTXQSSIA-ZDUSSCGKSA-N 436.538 0.720 50 20 ICGD O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)C1CCN(c2ncccn2)CC1 747380704 OLGNXZAMNJLTLF-UHFFFAOYSA-N 441.883 0.848 50 20 ICGD COc1cc(NC(=O)c2ccco2)c(C(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 748247003 IZPYWWUOKFSXJZ-UHFFFAOYSA-N 430.417 0.933 50 20 ICGD CC(C)(C)c1ccc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749354265 TVPQPWCBVJVMEB-UHFFFAOYSA-N 425.555 0.505 50 20 ICGD CC(C)(C)N1C[C@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 750662789 NMSFUZDANHLCLT-QGZVFWFLSA-N 430.553 0.929 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 751211279 POEJFPQOARDCLS-RBSFLKMASA-N 446.529 0.991 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CCn2c(C)cc(O)cc2=O)cc1OC 753143283 SXCVEAVBXGZTLS-UHFFFAOYSA-N 433.417 0.274 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 756856387 OYAPJKDYDWIIGW-WCQYABFASA-N 429.499 0.324 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 758675369 GTTGQOBGIGRDGM-PGUXBMHVSA-N 446.888 0.516 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 758832039 HNDFUGCUEFGSQV-OAHLLOKOSA-N 425.445 0.871 50 20 ICGD COc1ccc(C(=O)NNc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 759302087 JREMSHBWJUYWHE-UHFFFAOYSA-N 437.434 0.776 50 20 ICGD COCCC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 759955420 LCBFZPNLCGOPHS-UHFFFAOYSA-N 440.566 0.511 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 760443461 ZVHDNKIFWHPVPH-UHFFFAOYSA-N 434.540 0.516 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)c1 763414106 VWRNRMSEBPXFSY-UHFFFAOYSA-N 445.544 0.744 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccc2nccnc2c1 763530833 IMMXVXAMZHWZED-UHFFFAOYSA-N 447.499 0.928 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 763841275 PSWRGEGXRRUADX-AWEZNQCLSA-N 430.465 0.108 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 763873849 ZKPIOCJSUZQLQJ-KBXCAEBGSA-N 443.460 0.818 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 763918486 DZJBBCFKNHBAKB-UHFFFAOYSA-N 448.476 0.355 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)c(O)c1 764104743 FBWBAKFYRJHTIZ-UHFFFAOYSA-N 446.485 0.883 50 20 ICGD O=C(CSCc1ccncc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636262 NLQLZTJFLHKZMH-UHFFFAOYSA-N 427.530 0.920 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1cccc(Br)c1 767048973 HVDLZLVIUKSNAR-UHFFFAOYSA-N 429.271 0.851 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)c1 773072859 PQTDKMAVBRNWGD-HXUWFJFHSA-N 430.465 0.692 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)C1 773412247 UTCYZTKQJNTVJC-AWEZNQCLSA-N 444.492 0.976 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 778292256 PCEVWJYCJZJUBK-UHFFFAOYSA-N 437.869 0.669 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cc(Cl)ccn1 778453374 UAGOZVFSASGDOX-CQSZACIVSA-N 446.938 0.960 50 20 ICGD COCC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 778544481 KJNWUKBYYVHHOC-UHFFFAOYSA-N 425.507 0.214 50 20 ICGD CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C 786230865 KTEQRDLQOIKTGU-WOJGMQOQSA-N 439.520 0.911 50 20 ICGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 786719996 RROKPGHXQVRMMP-UHFFFAOYSA-N 446.478 0.878 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787482830 FAHWLZJZHIBMMT-LBPRGKRZSA-N 436.494 0.360 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCOc3ccccc3)c2)CCN1 812980682 WAXOEDNYIBXUEY-UHFFFAOYSA-N 439.472 0.173 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 913625993 UPHNJZRDTKYIJB-UHFFFAOYSA-N 449.876 0.467 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 919690610 QOIQKPIYFVZPBT-UHFFFAOYSA-N 428.854 0.482 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)nc(O)n3C)cc1 920285013 JXBFZYPHJDPYHI-UHFFFAOYSA-N 431.474 0.669 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c2ccccc2c1=O 921300856 DXBJTJKUZXNXSD-KEYYUXOJSA-N 444.517 0.420 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)C[C@@H](C)O1 1318501467 ATAHUXSKMARYJG-QZTJIDSGSA-N 438.569 0.833 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 1341831501 AHPPSFOEHAINJT-UHFFFAOYSA-N 429.476 0.461 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCOC1)C2 1778094551 JMTFQNJHVDVPIF-SFCNJFCTSA-N 445.520 0.671 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779204898 YXOMANGIFGMBFP-WBMJQRKESA-N 429.246 0.541 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)CO[Si](C)(C)C)C4)C3)CC2)CC1 1779299693 DHPRQPAXPROVCR-FQEVSTJZSA-N 438.645 0.448 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1781901152 ZADUTPPCRIZWTG-WOSRLPQWSA-N 429.319 0.361 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1782171182 RORYVFHUEMXGQC-VVFCZOMOSA-N 426.901 0.994 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1783536979 MYWNKRCBABXZSB-SJCJKPOMSA-N 427.299 0.893 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618631 BXHLNKFXPJZDOP-GQBLCDNYSA-N 440.460 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCCCn3cccc3)CCO2)C1 1783936331 UVPISQUQNRMFSM-JOCHJYFZSA-N 433.553 0.861 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]3C2)no1 1783970414 YZWHTOUBIRRTSI-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783980919 JTNUTDXTDQPYKF-JOYOIKCWSA-N 434.184 0.185 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnco3)[C@H]2C1 1784749549 UEPCCCNESKHIFQ-DZYDDEDGSA-N 428.449 0.402 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncs3)[C@H]2C1 1786208505 IBSIWKANCCZIJW-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1cncn1 1788143852 YTIFCLMRXSDKCH-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21 1791290830 AVISLCYJNPNDMM-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736731 DBBXTOKDISFGBT-DFYYWFRZSA-N 426.278 0.041 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930884 KKEWVZKZWIYMFP-GNXNZQSNSA-N 444.941 0.306 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796303419 NJEUADZYRBNTLK-WJNVRWDZSA-N 431.356 0.388 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799192723 KAEWYCBXAQEZIL-JONQDZQNSA-N 443.386 0.139 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803146407 NZTXAEHDSUDJNA-XNWVLMOPSA-N 427.885 0.303 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@H](O)c3ccco3)C2)CC1 1804887913 VVDOTBLDPHKEGL-LJQANCHMSA-N 426.278 0.538 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806769180 RYGNUJMLDQLSKN-CRAIPNDOSA-N 427.599 0.984 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360588 TUJVIDDTGCUPBO-POEPRGHXSA-N 437.280 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1813068170 JCVXJSRWNFOPNG-QRWLVFNGSA-N 441.492 0.270 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1813073679 NTXYGVNSXSIPRX-UZLBHIALSA-N 427.509 0.806 50 20 ICGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)O 1815080968 WRUPXRPLVRQSGI-JQWIXIFHSA-N 428.587 0.969 50 20 ICGD O=C(CC1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339357 AIIGGIXYFLLQQI-INIZCTEOSA-N 443.334 0.865 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cccn1 1815347517 BOGGWQLTIWWPIE-IUODEOHRSA-N 439.306 0.506 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817250966 YGNXAVWIEQCFJK-IYYTYJHQSA-N 433.282 0.685 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nc2)[nH]n1)c1ccc(B(O)O)cc1 1817472555 WTLOWEHEMWJUNB-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819586022 RRAXGGXGXWPCIV-HIFRSBDPSA-N 433.513 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1 1821102773 FCNGPUVNEVHLFS-SNVBAGLBSA-N 433.494 0.238 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822189083 NXUSQOWQDSPFPB-GHJWDPDVSA-N 444.330 0.836 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823786963 BKSBJZZRJUDYSZ-NHCUHLMSSA-N 443.353 0.514 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829819445 KXPRZWRFZBLJCZ-DOTOQJQBSA-N 431.283 0.554 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731625 LOABQOYWKJTXPT-FXAWDEMLSA-N 442.944 0.696 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833782031 MXCSRYHRJCLLHQ-INIZCTEOSA-N 447.717 0.985 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1834822991 CIUNECNKULCDEZ-INIZCTEOSA-N 447.717 0.985 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)c1cc(O)nc(O)n1 1835077754 QAZFVJCHNQVKAD-UHFFFAOYSA-N 432.308 0.877 50 20 ICGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1836201683 WNTUFJZXMDOQQV-INIZCTEOSA-N 427.933 0.214 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1 1838519563 VFDDRDPUKYTZQA-KXBFYZLASA-N 429.901 0.485 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839143224 PMIMQNIPAKECFD-SGTLLEGYSA-N 426.857 0.262 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839144733 JPZNTPLGHMFWEZ-RLFYNMQTSA-N 430.958 0.487 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839216883 SQMFJRJNHKHZGO-WRWLIDTKSA-N 426.897 0.510 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839449169 WWJVHAYDGTYJQX-KPZWWZAWSA-N 443.294 0.951 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493477 MJBGEMUIHVSUFO-JLTOFOAXSA-N 436.896 0.887 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1839967010 WQPFXGKMPFVLLQ-RLFYNMQTSA-N 434.375 0.957 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840030796 WWCYKBDBETTWRO-ZLKJLUDKSA-N 447.248 0.540 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1840151781 NHTFZKNPDWVOAK-LVCYWYKZSA-N 439.940 0.439 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840152740 RRDXGHPTJUOHQV-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840155753 DCWHZJAIYLDPKN-APWZRJJASA-N 426.901 0.119 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840199341 WYZLPCNBTFSWRX-QAPCUYQASA-N 434.631 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842266401 FXEDJHBGOCDPQL-UHFFFAOYSA-N 444.536 0.108 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012564 BCDGEAWNQZMWMR-WEVVVXLNSA-N 438.245 0.014 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 108789958 GKWDROOFHCOTHR-CQSZACIVSA-N 445.567 0.335 50 20 ICGD COC(=O)c1ccc(O)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 726737449 GCIWARVNFVJAFW-UHFFFAOYSA-N 447.469 0.964 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 728506850 GETXDXRGSWRZDQ-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CCN(c2ncccn2)CC1 728844961 BJCOFLSRYIOWJT-KRWDZBQOSA-N 429.525 0.768 50 20 ICGD Cn1nc(C(=O)NNC(=O)CSc2nnnn2CC(F)(F)F)c2ccccc2c1=O 729966356 QGGICXWHKFBBRN-UHFFFAOYSA-N 442.383 0.036 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2O)cc1 730897450 MALGVPNEQWRGGF-UHFFFAOYSA-N 430.417 0.917 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 732259848 YQZNOGWYGRWVPP-AWEZNQCLSA-N 425.488 0.229 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733041229 ADGJSMZRGOBQFU-UHFFFAOYSA-N 445.448 0.532 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cc2ccccc2F)c1 735520038 YJLHLSLGCRNEJT-UHFFFAOYSA-N 438.481 0.824 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C1CCN(c2ncccn2)CC1 741923425 SEEITOADZIZHSU-SFHVURJKSA-N 437.504 0.788 50 20 ICGD O=C(CCCCN1CCOCC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619206 KEQIPMDZZLDBEG-UHFFFAOYSA-N 426.539 0.653 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)[C@H]1COCCO1 744642625 RJXSGJZHWFYOSY-UONOGXRCSA-N 426.451 0.009 50 20 ICGD CCN(CC)C(=O)CN1CCCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 746512028 CGOFOBTZUHXBQD-UHFFFAOYSA-N 429.525 0.873 50 20 ICGD COc1cc(C)nc(NNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)n1 746627203 HRGRJOIGEXQDBB-UHFFFAOYSA-N 434.522 0.697 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(C#N)c1 748044739 XTXYRCZZGCOJNS-KRWDZBQOSA-N 436.515 0.783 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)cs2)c2ccccc2c1=O 748689060 FZTLDUQRIZJDKN-UHFFFAOYSA-N 435.487 0.461 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(OCC(F)(F)F)cc1)c(=O)n2C 748704314 YSCSIEUDIUQGAV-UHFFFAOYSA-N 426.355 0.518 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(CC(C)C)cn2)cc1 749864594 OIFZKQQXPYUUJY-UHFFFAOYSA-N 443.551 0.478 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1C 751386224 WOKFKWRYOANYCP-LLVKDONJSA-N 439.266 0.943 50 20 ICGD C#CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 753907980 PGMRDLJWNWMVTB-UHFFFAOYSA-N 426.498 0.587 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CN1C1CC1 753942317 DEBCPKZVTATGGF-CABCVRRESA-N 437.570 0.269 50 20 ICGD CCc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 758927692 VISVBPLSGQDUPX-UHFFFAOYSA-N 439.515 0.964 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 760277749 QDYHGCVPVGJSRJ-UHFFFAOYSA-N 446.427 0.867 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)CCc1ccco1 761283350 SJAOCBGGZPTKHE-UHFFFAOYSA-N 431.492 0.992 50 20 ICGD CCn1nccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763511985 LSRXZDGXCXEMSC-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763663384 SQLPTWZHKDBZJA-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763871420 FPBBWWKFJNJUHL-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 763948410 JQYUMIGKBQPZTA-UHFFFAOYSA-N 448.439 0.870 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1 763992462 FIKIEUKDJIJNHD-UHFFFAOYSA-N 435.506 0.749 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)ccc1F 764166749 PVOFYXTVJMTLOE-UHFFFAOYSA-N 427.396 0.665 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cn1 764240077 ZVIXZHSZHIAGEN-UHFFFAOYSA-N 440.460 0.922 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1nccn2ccnc12 766662942 HISBBWQICQWDEH-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 768637363 GBNPJEKSUTZGPU-GFCCVEGCSA-N 431.474 0.880 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)cc1Cl 769748117 PNHUJSWMWRVQBK-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 771384735 WTNUGRYOKOMHRO-QGZVFWFLSA-N 432.525 0.760 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 771913117 KQSWHXHHKKDVMD-XUXIUFHCSA-N 427.523 0.772 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 772115032 NVCMZSOEVWTXCU-AWEZNQCLSA-N 440.522 0.908 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C)cnc2N)c1 773225135 AWSQYVQNNVMLHZ-UHFFFAOYSA-N 441.535 0.626 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)C1 773412308 VVZJYONMUZWJAN-NSHDSACASA-N 431.453 0.236 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1S(N)(=O)=O 775227473 DXAMRNQVUNENGN-UHFFFAOYSA-N 430.284 0.877 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 778441909 YCSFQILJFBMECJ-UHFFFAOYSA-N 437.409 0.955 50 20 ICGD O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1cccc(Cl)c1 779622389 LBJPXKYJCYTCLA-MRXNPFEDSA-N 444.941 0.227 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc21 782888738 VXNTYRPJBYOKEX-UHFFFAOYSA-N 434.456 0.811 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2nc3ccccc3cc2C)cn1 785158673 QHMCUPXEZIXXPM-UHFFFAOYSA-N 425.449 0.584 50 20 ICGD CCCc1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cnn1-c1cccc(C#N)c1 785995286 WFEWBZUOSBVHGT-FQEVSTJZSA-N 444.517 0.833 50 20 ICGD C[C@H]1CN(C2CCOCC2)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 787737564 WPQFJURNMBOERV-AWEZNQCLSA-N 438.554 0.519 50 20 ICGD CS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1Cl 788334039 SWOMKDXPATUVMJ-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804921862 HPZZQHOYMKRYPG-UHFFFAOYSA-N 446.493 0.413 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)ccc1F 806987440 RGYKRWPWSMZJDI-UHFFFAOYSA-N 426.401 0.581 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 810105671 DDBOUZWUXKBZLI-UHFFFAOYSA-N 445.906 0.483 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)nc1C 810933338 XYWVOPNPYQXNJD-UHFFFAOYSA-N 435.462 0.586 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812728674 UYAAGNDKHZJXDW-UHFFFAOYSA-N 436.515 0.605 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814539430 WUAIHFXWVAUBDM-LLVKDONJSA-N 449.493 0.143 50 20 ICGD Nc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cnn1-c1ccccn1 815826949 GQLSNVKSFSYJLJ-UHFFFAOYSA-N 448.487 0.069 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCCCCCS(N)(=O)=O)c2ccccc2c1=O 816805563 AFZCKOPFVTTWMY-UHFFFAOYSA-N 437.522 0.977 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nc3ncccn3n2)c1 917900813 DPLUCJACMAMJRR-UHFFFAOYSA-N 431.478 0.159 50 20 ICGD CC(=O)Nc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 919739255 DMDHVRRHPKYGSW-QGZVFWFLSA-N 431.376 0.928 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1Br 919886127 VAWJZTDEFHPKMW-VIFPVBQESA-N 436.284 0.597 50 20 ICGD COC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 920051696 SKTWSLMFHGTCGV-UHFFFAOYSA-N 427.483 0.112 50 20 ICGD O=C(CS[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779077513 COFQQROXHVEWIQ-FPOVZHCZSA-N 448.350 0.070 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1781202018 SUSTVHXWURKBQW-RDTXWAMCSA-N 437.896 0.892 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781775332 XRAYZYWCOMWABS-KYZVSKTDSA-N 430.343 0.667 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1782175328 GYGBCGGXPUBMSL-SPYBWZPUSA-N 431.917 0.596 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783811845 YYXDOZBSQNTFMQ-SFYKDHMMSA-N 428.533 0.993 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1783934479 BASINHBKCKOFQB-NRFANRHFSA-N 434.493 0.217 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 1785890814 NZIQSPIRDUDWFK-LVWMUPNFSA-N 440.504 0.752 50 20 ICGD O=C(CCc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786415575 ANDDBAYHQYNGNL-BVSLBCMMSA-N 436.317 0.593 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984738 DJVSNXDXRHJCOU-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)c3ccccn3)C[C@@H]21 1791292891 AFBVKXSBKLHNMZ-BZSNNMDCSA-N 445.564 0.712 50 20 ICGD Cc1nccn1CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293136 LFPQVVHKHTVJRS-FHWLQOOXSA-N 448.568 0.324 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791299408 MYMLKFALTJSQGJ-CYDGBPFRSA-N 437.356 0.815 50 20 ICGD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1794577959 HFRPPZYVXXOLRV-NRWUCQMLSA-N 429.315 0.663 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1794633434 YMSBHDCUFIZVST-FVCICTRLSA-N 429.502 0.572 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cncn1-c1ccncc1 1796190810 NXRUAYRKHFPZTP-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796315146 NZMIEOIDMJJVEP-DRZPZYELSA-N 428.439 0.989 50 20 ICGD CC(C)n1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798440468 VATANGAFSZSQOQ-BTTYYORXSA-N 426.481 0.423 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1799271008 GVEZYRHFMZJJCY-GWCDLVAZSA-N 425.917 0.064 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805275033 VCBXSMPFQOCZTH-ZDUSSCGKSA-N 433.933 0.660 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807369598 PNHHALSCLSKQID-DYESRHJHSA-N 449.276 0.015 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnc4ncccn34)CC2)C1 1809972353 MXGNKVMZCLXGTR-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@H]2F)[C@@H]1c1cccnc1 1810306171 VEJVJCPBMCFWBF-AETAKHFUSA-N 426.452 0.758 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067904 HHUGADLRLMPFDR-PLMTUMEDSA-N 429.521 0.499 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1813070591 KKVYEGLFPZXLCP-KKSFZXQISA-N 427.509 0.426 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)Br)CC2)C(=O)O 1815086372 IMJLDSJPXYEIFW-OYNCUSHFSA-N 433.328 0.901 50 20 ICGD CC(C)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354530 GWZYSVBHEXDICK-OAHLLOKOSA-N 430.339 0.437 50 20 ICGD C[C@@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676341 YGCGKRPSPXILDN-IUCAKERBSA-N 428.316 0.773 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472540 WMRYEBZCMMLTKL-CXAGYDPISA-N 439.281 0.086 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816558 GKPYGDBUWMFJBY-BXKDBHETSA-N 449.859 0.095 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1822555909 ADDJYGVGRIHAFX-KGLIPLIRSA-N 436.582 0.770 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826127460 XNNOBYIMGYMNCD-ZFWWWQNUSA-N 449.363 0.163 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)c1ccc(B(O)O)cc1 1826339296 QPKOGISBJGPSJI-BPUTZDHNSA-N 443.334 0.600 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC(=N)N)CC1 1826786921 AAPWOCCNNNJJRP-HNNXBMFYSA-N 426.587 0.606 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1827054762 LPZHYGYYOQVXRE-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727796 FSGJLMKFECZCOO-QRWLVFNGSA-N 436.896 0.312 50 20 ICGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728184 QBRSBNDHCFQNMF-KUHUBIRLSA-N 426.853 0.085 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C(F)F)n1 1830731835 NXZCRBQFQQPUHQ-GUYCJALGSA-N 436.843 0.256 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2c[nH]nc12 1830735553 IERUDTBGSIXXKG-OXQOHEQNSA-N 436.896 0.541 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831429367 NFIGROGOXXTERX-YWZLYKJASA-N 429.326 0.124 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1831640923 STMLSLWRBPPENT-RLFYNMQTSA-N 438.974 0.531 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597200 WZLYBFRLHXMSJM-MSOLQXFVSA-N 433.288 0.946 50 20 ICGD C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799351 YVJVFZYAXYOMFH-UHFFFAOYSA-N 425.338 0.355 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C1(O)CCC1 1834820055 LMKRTIMVWAFKJW-WMLDXEAASA-N 433.343 0.779 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cccn1 1834826344 LOAPCWTZKWWPPL-YOEHRIQHSA-N 429.315 0.686 50 20 ICGD COCCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734626 NJCPCEJDWGGFEW-UHFFFAOYSA-N 446.552 0.297 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837028032 YELXZQJRAJOWQM-UWJYYQICSA-N 448.907 0.954 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837475522 IREJTTSTBYTJGH-QRWLVFNGSA-N 439.944 0.998 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715584 YMZJSSXTLNOACE-DNOBIOAJSA-N 434.631 0.453 50 20 ICGD CC1=C(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCO1 1837919344 HMWHIJLSWICXLV-UHFFFAOYSA-N 442.321 0.673 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839152800 KXECZIIWEWWTAF-WFRZBGSESA-N 448.347 0.514 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840036723 QLPCAHZNTGIPTA-CXAGYDPISA-N 430.299 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840036960 UFPSFRRWXWUKBN-YJBOKZPZSA-N 443.342 0.903 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840154163 NQJKYXJPUPMTPA-SJKOYZFVSA-N 430.845 0.247 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 1840185203 MIMTXVQVJYIYND-FCHUYYIVSA-N 436.553 0.562 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1840525910 WEWZDGJADKLMGU-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1840929680 IVJHHMRYVHXPCJ-HNAYVOBHSA-N 446.386 0.958 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)cc1 1841353422 XXBOKQCFLKJTQD-KRWDZBQOSA-N 437.924 0.895 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NC(=O)OC(C)(C)C)C1 1841762717 RLYKNZVXOQXQJB-UHFFFAOYSA-N 439.557 0.866 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1846362990 IUSVDTCBWZUBSL-CQSZACIVSA-N 435.868 0.749 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847862340 AEJGTNNHMUPAKJ-WDSOQIARSA-N 431.537 0.817 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 729274434 JYQZBOKOYOAQQG-SFYZADRCSA-N 425.294 0.197 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2F)C[C@@H](C)O1 729276987 QJOQLMOIHUKLOH-TUAOUCFPSA-N 431.490 0.530 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 730568775 AUMWNTOVXQTDCR-UHFFFAOYSA-N 426.296 0.874 50 20 ICGD N#CCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 730674184 HHEGYWMBFOEEOU-UHFFFAOYSA-N 434.522 0.403 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(F)F)cc1 731163497 IITZMQJMUBPMKS-JTQLQIEISA-N 429.405 0.373 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 741857920 DBBJYKIBDPUMCW-UHFFFAOYSA-N 437.441 0.858 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 745027761 FCSMMQBANVRNGP-UHFFFAOYSA-N 432.396 0.461 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748245972 AYPLXEACYBZEFT-HNNXBMFYSA-N 442.563 0.165 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750660628 OJDXNOABHRHAPX-UHFFFAOYSA-N 431.474 0.820 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccccc1 753842228 ZYFIKPDWTOXAJQ-GFCCVEGCSA-N 436.494 0.019 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 754335175 VLIVTCSSMMDVPS-UHFFFAOYSA-N 428.540 0.461 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1OC 756548333 PHNMGTSBMAKRGU-WMLDXEAASA-N 425.507 0.506 50 20 ICGD O=C(CN1CCN(CC(=O)Nc2ccccc2F)CC1)NNC(=O)c1ccc(F)cc1 756642581 OGQORIAXMDRNMB-UHFFFAOYSA-N 431.443 0.982 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 758039901 MODKUGYRRKSTCM-SNVBAGLBSA-N 425.488 0.885 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c1 760225150 RJVOZRRBKQHHSJ-CQSZACIVSA-N 446.485 0.783 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)o1 760421372 WWTMYWCVSDXGBH-HNNXBMFYSA-N 436.490 0.578 50 20 ICGD COc1ccc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(Br)c1O 761015756 QPDAGRQZBHUPFZ-RMKNXTFCSA-N 435.234 0.933 50 20 ICGD O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)NNC(=O)c1cccc([N+](=O)[O-])c1 763271770 LCFMSXKRJZSCDE-UHFFFAOYSA-N 440.166 0.888 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763471711 XAAHDGZAIHZFEZ-UHFFFAOYSA-N 442.356 0.991 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n1 763641839 XOKPFWLVHFVDGS-UHFFFAOYSA-N 442.398 0.628 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763673635 IIKKMVSCMIUCAE-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c2ccccc2O1 763852996 ZOWVFXWZXBJALH-PXAZEXFGSA-N 445.403 0.708 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n1 763881780 PVSMNDKRBTWZHZ-HZPDHXFCSA-N 428.493 0.900 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1)NC1CCCC1 763974648 URVSESDUHJCXDV-UHFFFAOYSA-N 448.867 0.701 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(C)c1 764165400 YJUOMARQIALXSA-QGZVFWFLSA-N 427.413 0.636 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC1CCCC1 764227746 RGKVGECMLRHVKW-LLVKDONJSA-N 442.494 0.040 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)c(OC)c1 764283556 CFYCZYJQVITWIV-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 764386612 BXZBGCRAKWYHEY-UHFFFAOYSA-N 428.355 0.854 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1 764388496 SDSJEOUXHFUHFT-UHFFFAOYSA-N 428.428 0.374 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764564440 SWIGJBDSTIBTGN-OLZOCXBDSA-N 434.449 0.979 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNc1nc2ccccc2c(=O)n1C 765541569 SWZWJXXYPNWKCU-LBPRGKRZSA-N 426.458 0.615 50 20 ICGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 770550642 XPYFMEZSJQTKSC-UHFFFAOYSA-N 430.446 0.294 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)nn1 773494737 XPSKKPWMKGYXES-UHFFFAOYSA-N 434.416 0.316 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 774010756 ZEOZHQRGBYZHOH-LLVKDONJSA-N 434.836 0.758 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783848610 GFUKGQRLPJYVPR-INIZCTEOSA-N 429.433 0.960 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCC2CC2)c1 788491272 FYBKCKOMKDEORO-UHFFFAOYSA-N 446.485 0.783 50 20 ICGD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 789756332 BFWONRHPZJXOPE-UHFFFAOYSA-N 446.370 0.474 50 20 ICGD O=C(NNS(=O)(=O)c1cncc(Br)c1)C1CCN(c2ncccn2)CC1 795314519 MRNLNTKRBHYGJM-UHFFFAOYSA-N 441.311 0.860 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)c1C 796991728 IEYUXOYUDXCWEB-UHFFFAOYSA-N 425.401 0.623 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369361 TUVXEKAPTZIDIV-UHFFFAOYSA-N 428.401 0.486 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C 798308513 FKQOPNHGRPBCFL-GOSISDBHSA-N 445.520 0.103 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799256254 JGINQLPEDNWNQK-UHFFFAOYSA-N 428.287 0.813 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCN2CCN(C)C(C)(C)C2)c2ccccc2c1=O 799687426 XPPLXGLAHIGTMJ-UHFFFAOYSA-N 429.525 0.386 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 803396476 AXTBSVNCHHBPFQ-UHFFFAOYSA-N 431.478 0.760 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)n1 810385464 TWDVSHLNHDYGTE-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811633932 WLHLTRQVTRVEMR-UHFFFAOYSA-N 435.849 0.671 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1 813033236 KMNHJMLQBMRXPI-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 815692614 WBSCKMPOGFLUOS-SECBINFHSA-N 444.345 0.707 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 817054629 QWHBPDQPIBLRLV-UHFFFAOYSA-N 434.522 0.949 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1ncncc1F 817077142 GFIVMTQMFQMSMR-UHFFFAOYSA-N 425.442 0.979 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 861647536 KBCRPKASIZBEIJ-UHFFFAOYSA-N 433.442 0.943 50 20 ICGD O=C(c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1)N1CC[C@@H](B(O)O)C1 864234724 URSNWIIQUWPBAA-GFCCVEGCSA-N 430.251 0.758 50 20 ICGD O=C(CSCc1cc(=O)n2ccsc2n1)NNC(=O)c1ccc(-n2cnnn2)cc1 896222883 QQPZTLITERROKS-UHFFFAOYSA-N 442.486 0.426 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)nc1 916249762 JDPLTNJFZSYUCF-GJZGRUSLSA-N 428.559 0.894 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(C(=O)O)c1OC 917732483 WXZYILNDIDQBIA-UHFFFAOYSA-N 438.414 0.797 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)cc1)NNC(=O)c1csc(N2CCOCC2)n1 919789943 ASNHPOFEQCNBQG-UHFFFAOYSA-N 446.533 0.961 50 20 ICGD CN(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1318076403 VPFYVRYGSIXDGZ-GFCCVEGCSA-N 449.327 0.285 50 20 ICGD N#Cc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2=O)cc1 1318254060 NPLYLNZYDZALJB-KRWDZBQOSA-N 433.472 0.765 50 20 ICGD COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC1CC1 1327706065 KUDSTBFROXKEFU-CQSZACIVSA-N 431.536 0.242 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2c1 1777738903 AWSCZGQXPHTNRQ-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778556268 LPPUROODDQPVLB-XJKSGUPXSA-N 431.262 0.800 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2NC1=O 1780176946 NUQBKLABQNNFER-NRKGENKXSA-N 437.880 0.449 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)o1 1782212055 FJPFNYTXIHZDKU-IIBYNOLFSA-N 435.525 0.792 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C(Cl)Cl 1782215285 OHWZZTJNAGDDHC-RDTXWAMCSA-N 429.109 0.298 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1784058196 UUXTZDCBVCHVJF-HSZRJFAPSA-N 440.280 0.500 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093447 VPZMVVBVHGAJCW-FQUUOJAGSA-N 426.926 0.897 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1785478562 OBFHZFVDKRTRNY-FOIQADDNSA-N 445.944 0.673 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(C)o1 1785992360 QMHCALQGTUTLPO-VDGAXYAQSA-N 426.278 0.483 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981764 KIFTZPZRPJCYRN-FJXLLPKBSA-N 443.136 0.196 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c4nccc-4c3)[C@H]2C1 1787332232 JHHSPKHHKLZAGO-SZMVWBNQSA-N 442.520 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787607143 KOQAGUVDPSCBEB-MPTYRVRUSA-N 439.896 0.715 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1790553595 PLIHLEKDCSDRFR-IBGZPJMESA-N 435.289 0.735 50 20 ICGD Cc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287944 GKORLSNITFCZSH-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791349197 ANAMIBUAJQUVKH-QTVXIADOSA-N 430.343 0.666 50 20 ICGD CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793500030 CECCDURVCDVQLE-BCDXTJNWSA-N 444.536 0.107 50 20 ICGD CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735255 SNAABCYHEIQBIP-UPHUGPLXSA-N 438.289 0.282 50 20 ICGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737334 SOXLOHSPRIMMFX-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1F)C2)c1cccc(B(O)O)c1 1795740664 GYKKNLUKRFAGOV-OPMZPASUSA-N 440.280 0.342 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nc2ncccn2n1 1796958837 RPZWCPADVKRKJR-LMLFDSFASA-N 427.234 0.018 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438896 JHFBHOLJWDJBJA-OHTBPHCPSA-N 427.299 0.652 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 1797748257 NKMQTOUSHRTTFZ-CWPLJXCYSA-N 449.511 0.620 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1F)C2 1797752948 NOJSTLGHMPFAKB-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2cncc2c1 1798168420 AVXCSOYHOKTZIZ-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1802896828 FDMXGNZDWXVTFY-WMLDXEAASA-N 435.912 0.904 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374820 JRSHHWNLGICRPJ-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808279177 AJVBXKFXUHABGO-AEGPPILISA-N 435.868 0.856 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1)[C@H](O)CCl 1814872958 IHIYAMAJEMHRDR-GXTWGEPZSA-N 445.867 0.718 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(F)c[nH]1)CC2)c1cccc(B(O)O)c1 1815361942 VMJODOOKZDMJJI-ZDUSSCGKSA-N 428.254 0.830 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ncccn2)n[nH]1 1816000454 UVZCFMYNKCXZHY-HNNXBMFYSA-N 428.497 0.808 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471340 FURVNIGTCYKWMF-QGZVFWFLSA-N 441.297 0.168 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CO)o2)[nH]n1)c1ccc(B(O)O)cc1 1817471985 AKAHLJPJLLVSSZ-QGZVFWFLSA-N 438.249 0.795 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1822863050 FHYWKQNOYJTKPB-GLSBUQGYSA-N 436.365 0.884 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCOC2)n[nH]1 1822950478 CEVSMCWFFAEJIB-WBMJQRKESA-N 427.465 0.751 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827679731 RBPGTBYXDSKFDP-WORIPGKHSA-N 441.488 0.828 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=N)N)CC1 1827681203 PDMPTOUBWBDYQB-OXVLKEGXSA-N 444.540 0.223 50 20 ICGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1829887616 YPWHGKOLNVZNSB-SFHVURJKSA-N 432.359 0.570 50 20 ICGD COc1cc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830733744 SIKKUCKEWZNGSD-HNAYVOBHSA-N 448.850 0.643 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738578 QCWQMYPVNVUXIF-XLIONFOSSA-N 428.888 0.814 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020127 NSCUCCQSCSXERQ-IRXDYDNUSA-N 438.308 0.131 50 20 ICGD CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833142960 WHSKNNKRJJKJLV-UHFFFAOYSA-N 446.390 0.614 50 20 ICGD O=C(Cc1ncccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833168968 MKKYMHBDXRQLCA-GOEBONIOSA-N 431.262 0.166 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833428138 QFRSALXEPYVQQT-UHFFFAOYSA-N 438.532 0.284 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833665893 JXSUQVVRQGPQGT-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845436 PYQUKLDCBAKUAI-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421681 DHQBENFIUWLICG-OAHLLOKOSA-N 446.390 0.790 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799828 FQTMEVWPJVKNPU-QGZVFWFLSA-N 443.353 0.143 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1836297890 NAZKMYZWRXHMHC-ZBEGNZNMSA-N 430.303 0.214 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837126646 HTXUXLCBPBGVNN-KDOFPFPSSA-N 427.910 0.899 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccncn3)CC2)CC1 1837919352 ICWAERQJYDKSNA-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839900727 KDNSRYAYBBCNQV-FDDCHVKYSA-N 446.353 0.653 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)CC1 1840034987 CFTDPIXRUUTISD-BLLLJJGKSA-N 433.299 0.179 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840037385 ZCIWEZVNQYRUBJ-KBXCAEBGSA-N 446.342 0.239 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846959291 ZKTUWJAYMVGVGM-UHFFFAOYSA-N 431.298 0.098 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 725740749 IQGLJXBDGVSSTB-OAHLLOKOSA-N 433.440 0.964 50 20 ICGD CN(Cc1ccccc1)C(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871236 IFCAUYRGNFGNHZ-UHFFFAOYSA-N 442.476 0.620 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(C)CC1 725878267 GPELNWDUPSIXIS-INIZCTEOSA-N 437.566 0.258 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 727761610 SQHXBFBYGJLYMW-ZIAGYGMSSA-N 426.539 0.684 50 20 ICGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 729965233 RJOYBJUUENMXJS-UHFFFAOYSA-N 446.485 0.783 50 20 ICGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1ccc(Br)cc1Cl 731046094 NENHBVFHIFPFNO-UHFFFAOYSA-N 432.662 0.988 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 740851561 LKWANQVXBBRGEP-UHFFFAOYSA-N 442.538 0.838 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 745107620 GEUSLJQXIXKNAM-KRWDZBQOSA-N 429.477 0.940 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O)c2ccccc2c1=O 748968297 SRJXYGRBUYWRGJ-UHFFFAOYSA-N 437.522 0.964 50 20 ICGD N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 752411360 MULVHSCSJLHSBS-QIPHDZALSA-N 434.493 0.180 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1N1CCCCC1=O 755887522 CQELNVIJEPELSA-NSHDSACASA-N 427.483 0.303 50 20 ICGD Cc1c(C(=O)NNc2ncnc3[nH]cnc23)cc(Br)cc1S(N)(=O)=O 757386796 FCVIIQPGNHZVOP-UHFFFAOYSA-N 426.256 0.828 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(C)c1 763552253 XVDGJWFIWFVXDV-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1-n1cnnn1 763871122 DUNLQSPXZSWKJV-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCCc2ccccc2)c1 764000019 YCBDAMNQONISKQ-MRXNPFEDSA-N 445.497 0.829 50 20 ICGD CCOCCCn1c(NNC(=O)c2coc(S(N)(=O)=O)c2)nc2ccccc2c1=O 764235233 DKPDQTRBISKRRD-UHFFFAOYSA-N 435.462 0.820 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764276027 WPURZFLRSNFPMB-UHFFFAOYSA-N 429.433 0.097 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 764343523 SAFQCCQYWZDWGC-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD Cn1cnc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 768989658 ANWVKQVYUXXZRE-UHFFFAOYSA-N 432.448 0.661 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3sccc3S(=O)(=O)NCc3ccco3)nc21 770971595 LKUCBIHVOANLEF-UHFFFAOYSA-N 449.474 0.959 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 772049046 RBOIZNYBWUEIEF-NSHDSACASA-N 447.535 0.244 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 773081903 NUIHLRJILCCSTM-HXUWFJFHSA-N 442.407 0.407 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 774945904 LSULTKNAUOGYDX-OEPMTFCVSA-N 428.397 0.746 50 20 ICGD O=C(NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)Nc1ccccn1 776978199 GOQMGROMOOUQCF-FQEVSTJZSA-N 429.408 0.918 50 20 ICGD CCOC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 777411875 JNJJVYCUNGVGGT-CYBMUJFWSA-N 430.469 0.863 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COCc1ccccc1 780389204 LEENPLVIVZMBTG-UHFFFAOYSA-N 427.504 0.463 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 781378399 IRXVPRIVWQMEPF-CABCVRRESA-N 440.570 0.968 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 784002380 OFZWCFJJGFDHSR-CYBMUJFWSA-N 448.407 0.492 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CCO1 784004222 CHVQLTKKASCEOE-CYBMUJFWSA-N 445.501 0.489 50 20 ICGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)s1 784004449 NNXXQYCZICZPQZ-UHFFFAOYSA-N 430.446 0.410 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(O)n1 784230601 OMEACRDACLWPNO-UHFFFAOYSA-N 448.505 0.114 50 20 ICGD O=C(CCOc1ccccc1I)NNC(=O)C(=O)N1CCCC1 784960236 QAOQVSFPEMVTJQ-UHFFFAOYSA-N 431.230 0.830 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1 785709310 PFBXGRYTHFVIHB-UHFFFAOYSA-N 434.474 0.008 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1S(=O)(=O)N1CCCC1 787544851 YXAKNCZDZLRKMO-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 787897884 DNVQGLBNCSIWKA-GTNSWQLSSA-N 433.914 0.890 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)cc(OC)c1OC 792732322 FJNGUCKBCPHMHJ-CYBMUJFWSA-N 445.476 0.682 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 801106619 WFWYJIZJEBIXHC-ZDUSSCGKSA-N 429.458 0.320 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(Br)n1C 808087143 NIJSQBKUDRQPPQ-UHFFFAOYSA-N 436.313 0.292 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 809933617 NQDFVKQXRMPBDU-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 810662974 UGFKWDFXANZPDJ-UHFFFAOYSA-N 425.854 0.433 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 812729121 JQURKAUWUXBRTM-UHFFFAOYSA-N 436.515 0.867 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C 912921082 KJFCTLRSVSIKAV-OKILXGFUSA-N 442.538 0.206 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 915188633 GJMIHBMNQAAWHB-NSHDSACASA-N 427.504 0.952 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H](C)OC)N(S(C)(=O)=O)CC2 917767994 SZUZACNUXWTLTH-RISCZKNCSA-N 429.495 0.135 50 20 ICGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1cc2c(cc1Br)OCCO2 918096741 ARUKDXBJFSCJIY-MRVPVSSYSA-N 427.255 0.890 50 20 ICGD COc1cc(OC)c(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 918230787 PVFHTWKDTNTFHF-UHFFFAOYSA-N 427.421 0.832 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2cccnc2N2CCOCC2)c2ccccc2c1=O 1321725706 XDRNQZZUYKXHMQ-UHFFFAOYSA-N 437.460 0.309 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779539833 LLWMHWJXDHPMEC-DNVCBOLYSA-N 427.574 0.804 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780440254 OMFMFQURMPUZEP-HXUWFJFHSA-N 429.307 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782281042 CPPDQJHQNOYCMH-SJCJKPOMSA-N 427.299 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782341336 JFPCGPUGBGMDMT-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784386824 KFYTYKBPKBXVOC-XHDPSFHLSA-N 432.344 0.758 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785523857 BRADQRSRXNPBTF-CRAIPNDOSA-N 429.832 0.706 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442333 KNFBPUURNOGWRK-WDCWCFNPSA-N 429.271 0.265 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C[C@@H]21 1788611510 HKKFIIXZKJNCRC-QXGSTGNESA-N 445.520 0.238 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1789863650 ZFUIBYVBASOJLE-AYDFFVQHSA-N 426.901 0.710 50 20 ICGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)cn1 1791058222 UBZJSQFVMRJTMP-MNXVOIDGSA-N 427.299 0.862 50 20 ICGD CO[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccccc1 1791289068 HSHJWPDBYLBFPS-OZIGNCPNSA-N 446.548 0.727 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796719491 RJXYUDQIUFXPMT-OXIQGZBJSA-N 442.856 0.455 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797274765 ROCGVSRMJMHOMT-LXTVHRRPSA-N 445.944 0.433 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1Cl 1798772114 HVPZUIYUZHVGFA-QHBPRCKVSA-N 433.852 0.449 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)c1 1798866722 KEABEKYSNISMJN-ZSBFGKGUSA-N 427.436 0.341 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1799279926 XRSKZESBOSQPBK-ZUSNOYAUSA-N 427.350 0.390 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3c(O)nnc13)C2 1802333202 NWTLYYQPQMFOBC-BTTYYORXSA-N 429.481 0.060 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CCCCO1 1802584497 LLZJFUYKJIMWDV-CEWLAPEOSA-N 437.305 0.650 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803598724 SKGNCTFYXKLQAY-PXNSSMCTSA-N 446.552 0.375 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670187 GEJVOQJQCVOADP-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)nn1C 1805717406 JSYAPHGXTCWRHB-UHFFFAOYSA-N 432.569 0.875 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362321 GJHPETQCQYJIMZ-IEBWSBKVSA-N 433.277 0.128 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1810302518 LMFYNVHKHYKMJO-YIOZNXECSA-N 438.488 0.171 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1c1cccnc1 1810302985 ODGAMMOSJLUUDY-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819364497 WOZCTTPVEXLWLW-QZTJIDSGSA-N 440.309 0.969 50 20 ICGD Cc1noc(N)c1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085146 GVTCKPDDQVPJPR-SNVBAGLBSA-N 435.510 0.621 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1 1827606980 BPUNZDYJVAFPFR-GXTWGEPZSA-N 425.852 0.580 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncon2)CC1 1828924128 JEVFVBVDRDWSFR-INIZCTEOSA-N 427.465 0.615 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544249 RWSBKUMKWDWHRB-HNTXVCKUSA-N 446.342 0.514 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 1830726851 UOZSMYOXWMLEAO-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n[nH]c21 1830728196 QFOHMJYSSOIKIJ-BBEGDGIKSA-N 426.901 0.129 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(C)c1O 1830738641 RIWIRVMLFBJAHM-OXJNMPFZSA-N 426.897 0.679 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnnc(Cl)c3)CC2)CC1)[C@@H](O)CCl 1833308260 NBKNVUPHNFKEGS-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649230 HKXXBBFOHNUSBG-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)o1 1833901110 RBVSFGDPXCOMPV-LRDDRELGSA-N 449.277 0.501 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834582073 YXASALLTXZWNNL-JXFKEZNVSA-N 441.912 0.722 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628667 FGQGFSQLGWZEGR-SJKOYZFVSA-N 445.314 0.809 50 20 ICGD Cc1cnoc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836071821 GUVTUBMRUPDIHL-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD O=C(c1cccc2cnccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837029794 DITFWMASIFKBHD-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837095841 YIBPJOPAPOBCFH-YOEHRIQHSA-N 445.289 0.590 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837717565 GMTXIWFHOMCLJF-HXUWFJFHSA-N 427.618 0.780 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921326 ZTFHAIDYICOZPI-KRWDZBQOSA-N 446.353 0.792 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837971827 JIBMTUIAOQZPHY-SJKOYZFVSA-N 431.283 0.625 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1 1839153263 DMHXSYZDGMKBTP-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200434 KSTDYECHRGLCHL-PBHICJAKSA-N 445.289 0.590 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839553881 DTXHSUFEWGTQBH-LIRRHRJNSA-N 440.859 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840149854 BYVPBLPCIVQOQV-UGSOOPFHSA-N 430.889 0.064 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458963 JIXZCJKCAQMHDS-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013102 IDWDHZJTJLDLQD-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843411541 QFJVGBAXOWVJON-UHFFFAOYSA-N 437.456 0.800 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cn3c(Cl)cccc3n2)C1 1843661313 BZLPAZGBWGTISC-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846179269 UXKXJVAPQWVAMD-LLVKDONJSA-N 427.255 0.743 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 26694184 ZHXPITZIERQOFG-UHFFFAOYSA-N 445.453 0.720 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(S(N)(=O)=O)c1 725872622 RECHEMPAIMAVQD-SNVBAGLBSA-N 425.492 0.217 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 727766278 ORLVOYPWLIHBAF-SJCJKPOMSA-N 434.474 0.730 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 730511810 DPQVMKAZECBQRY-QGZVFWFLSA-N 436.424 0.909 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 732084120 MSMAUMKWZGZRKP-LBPRGKRZSA-N 433.446 0.116 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733045793 USOWHBIRXMELEF-UHFFFAOYSA-N 434.465 0.833 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc(OC)c1OC 734283855 PILGZGXQCHTULQ-HNNXBMFYSA-N 435.525 0.825 50 20 ICGD O=C(COC(=O)CCCc1nc(C2CC2)no1)NNC(=O)[C@@H]1COc2ccccc2O1 740313284 PUEMGJGQQRUVEM-HNNXBMFYSA-N 430.417 0.800 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 747324098 YLTDAFZJLOREFR-OAHLLOKOSA-N 447.473 0.781 50 20 ICGD Cc1c(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748085069 LYSIPJXQHSYRLB-UHFFFAOYSA-N 425.449 0.473 50 20 ICGD C=CCCCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 748519094 JCJKPCYVIUVMPW-UHFFFAOYSA-N 438.488 0.932 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N[C@H]1CNC(=O)C1 755931572 DRGIMCAPKFEGOT-VXXVJXPCSA-N 426.864 0.991 50 20 ICGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1C 757823479 RASQCQPYKFOWRJ-UHFFFAOYSA-N 440.464 0.695 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)nc2N(C)C)cc(OC)c1OC 763539677 OTVPKCPFANLIAO-UHFFFAOYSA-N 431.449 0.882 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570386 DYIMDZJYBYFRGT-AUUYWEPGSA-N 440.456 0.838 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 763992423 DKYGPRQFLOOZNL-GOSISDBHSA-N 439.472 0.593 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764136002 LGOJQQFKEVMJIS-UHFFFAOYSA-N 442.476 0.279 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764545339 XJCCQGSAKAZWMV-HNNXBMFYSA-N 445.476 0.813 50 20 ICGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734686 CJXUYUGMPFEBNW-OAHLLOKOSA-N 443.529 0.472 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc4ccc(C)cn4c3=O)CC2)cc1 766650308 SVGYGWYSQSZMPG-UHFFFAOYSA-N 448.527 0.890 50 20 ICGD O=C(COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccccc1 767536467 HGROFSRJCNMQPJ-UHFFFAOYSA-N 439.472 0.515 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2F)C1=O 771220229 SDXKFOSGZQWKSC-NRFANRHFSA-N 444.419 0.828 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1CC(=O)O 774619387 WGODPPHVOWKWJA-UHFFFAOYSA-N 449.489 0.338 50 20 ICGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)n1 778708365 ZSPNTUJCJGKCCF-TZMCWYRMSA-N 431.449 0.847 50 20 ICGD O=C(CC1CCCC1)NNC(=O)Cn1nc(C(=O)NNC(=O)CC2CCCC2)ccc1=O 779379081 FKDQHEDGDDEEFR-UHFFFAOYSA-N 446.508 0.312 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)C1CCN(c2ncccn2)CC1 779510525 AOALYKOGJBGVQE-JKSUJKDBSA-N 442.501 0.545 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 783408045 INCWBOOALBABLH-UHFFFAOYSA-N 435.384 0.905 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCc2ccccc21 788142994 IPHRYKYRYYNVEK-AUUYWEPGSA-N 425.441 0.968 50 20 ICGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 799856689 JXXCMGGUQROTTA-QMTMVMCOSA-N 439.534 0.601 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)cc1 801108590 PIIHANNMLFTLAS-QGZVFWFLSA-N 425.424 0.999 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2cc(Cl)c(OC)cc2OC)C1=O 802075738 JBCQVPCYXAKOQM-UHFFFAOYSA-N 439.812 0.487 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl)c(=O)n2C 802087784 DMQYBMFLDVQYIW-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD N#CCNC(=O)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 804819658 DLKOFMFBQAZDDG-ZROIWOOFSA-N 439.863 0.742 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 811692481 BIGQIYDWCCLTQN-UHFFFAOYSA-N 440.478 0.148 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 813033381 QQIHDYDZRVZCDP-UHFFFAOYSA-N 445.457 0.245 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1cn(Cc2ccccc2)nn1 815570230 WQZWFTRMHJBCGQ-UHFFFAOYSA-N 430.428 0.912 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1=O 815607519 AOIZEHFSCBKTTG-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693023 JMLDMWRFSRDYRI-LLVKDONJSA-N 446.489 0.742 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(C)=O 884742295 RHXIWJRRHSJWDM-BMIGLBTASA-N 432.930 0.902 50 20 ICGD CCOC(=O)CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916523553 FKPAOWYJQBGZDC-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1I)N[C@@H]1CCS(=O)(=O)C1 919886896 WCJOALPAZNFABC-MRVPVSSYSA-N 441.222 0.561 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N[C@@H]1CCS(=O)(=O)C1 921019894 DBCVDJBAGMGGPW-OAHLLOKOSA-N 439.515 0.945 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1779403435 ZXNHBJNHVXFNCB-LUXYFRNMSA-N 436.864 0.530 50 20 ICGD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780087788 XYHCRYPJYQTMNN-DNVCBOLYSA-N 439.852 0.573 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccs1 1781326781 UKRFAEJAXMARIA-CZUORRHYSA-N 448.314 0.998 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333707 QRDIQZXHOOYEBG-XJKSGUPXSA-N 433.230 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc(F)c1)C2 1782209496 UCPBQMLGNZKOPR-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783349191 JALQTYGEWAUAFB-XNJGSVPQSA-N 433.347 0.697 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CBr)C[C@@H]32)n1 1787049286 HAEOQCZBEBUKBU-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)Cn3nccn3)CCC2)cc1 1789521968 RINMNZWWAGKYMB-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921157 ACPKMKBOSRRIPQ-WFGGJUAMSA-N 436.322 0.963 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791057867 RBSAXMBVZZUFMO-URBCHYCLSA-N 428.283 0.870 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293143 LOENHXGSFHTOMQ-BNSPSXLRSA-N 443.548 0.838 50 20 ICGD CCOC(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1792142599 WMPLCHWLJQBNKK-NXOAAHMSSA-N 445.944 0.434 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189889 BIVZANIYPDZVMU-IVDHNXQLSA-N 440.305 0.374 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(F)c1 1799521652 WJWGXHXMIAVQOI-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ccoc2c1 1799970912 PXFYFOWGJGOFHR-CWPLJXCYSA-N 449.467 0.948 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1F 1801009224 SQZHMEXCMJNWOG-YVWYUNDQSA-N 436.484 0.411 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802207515 BDXWIEJBHASVGF-POXQLVPFSA-N 434.248 0.315 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1803706703 CDJMAMUQSHKUFG-REPLKXPHSA-N 435.289 0.890 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccns1 1805217899 JZRCRURUODBHFH-VQIMIIECSA-N 436.302 0.851 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807079358 RIMARJQFJRZBOE-STRKUORWSA-N 432.569 0.834 50 20 ICGD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807366824 HMQUPJIMVWTLDI-KNQAVFIVSA-N 447.304 0.057 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374669 JBAZTJYSTPYGGJ-DYESRHJHSA-N 448.263 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1c1cccnc1 1810302988 ODGAMMOSJLUUDY-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1 1813074784 VMBWXQUANJUBFP-CVDCTZTESA-N 444.580 0.946 50 20 ICGD C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814439618 SCYFIJFCHPPWDY-QWGSZXSUSA-N 445.524 0.633 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)c1ccco1 1814457864 FNIPNUSLJGQHDX-APWZRJJASA-N 438.249 0.722 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)[C@H](O)CCl 1814871341 MUPWBQIDVUIFCE-ZIAGYGMSSA-N 447.945 0.427 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814873630 SQGZFJKGLYEXNP-CQDKDKBSSA-N 449.899 0.610 50 20 ICGD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)s1 1815188187 ZRDODNKKLUYWTI-NSHDSACASA-N 443.319 0.401 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474995 JKMZRKGIWAPDAX-SFHVURJKSA-N 427.314 0.784 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818126279 LNXRTSGDTILICF-CJNGLKHVSA-N 435.529 0.642 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818805030 PGWRYDCUQYNXFV-OLZOCXBDSA-N 429.974 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCNC(=O)C2)n[nH]1 1822484984 KYRVBUCDFUBDDN-UKRRQHHQSA-N 433.513 0.301 50 20 ICGD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822531316 HCJDPFKVVFMKSP-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCCN3C)sc2C1 1822599403 KJQJKMOSVFAQBF-ZFWWWQNUSA-N 436.582 0.912 50 20 ICGD O=C(CC1(O)CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1823036798 BDFWDGJFDRPOQT-QGZVFWFLSA-N 426.282 0.701 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903555 BPGYVANIDDQXOG-CABCVRRESA-N 428.917 0.412 50 20 ICGD O=C(Cc1cnccn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056354 XHXXLJKBWWPDEG-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCOC3)sc2C1 1827169488 DIUVMDIBFOLBMZ-MNOVXSKESA-N 430.490 0.404 50 20 ICGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](F)Cl)CC3)c(=O)nc1O 1827992098 LXLNRFMSLTUZLR-PELKAZGASA-N 429.861 0.860 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829618402 PXGNKBOGSGRRMZ-VQIMIIECSA-N 441.868 0.193 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728405 SVYHFZYKJXBQKV-IFXJQAMLSA-N 429.901 0.605 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830738084 LLRIPMXKVXJTMS-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1835055424 RJSWRRVBRHLMPO-OAHLLOKOSA-N 446.390 0.790 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837498 KFCQXFHECJTRPL-QGZVFWFLSA-N 441.649 0.856 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1836398576 OBCOMZYETCPERW-KRWDZBQOSA-N 442.409 0.839 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cnccn3)CC2)CC1 1836775664 IVOPNHFUGNGBBJ-UHFFFAOYSA-N 446.552 0.391 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837715362 MAKZMVVOZWQFTL-LJQANCHMSA-N 426.542 0.693 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837771022 DDGYDVYRFAIYSP-GFCCVEGCSA-N 439.372 0.813 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838089185 UKKSVVQUEFVDKW-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839150714 VIHQANBVSRKMBR-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839900752 KDNSRYAYBBCNQV-JPYJTQIMSA-N 446.353 0.653 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840035287 MGZJOWMWPNXKQK-ACJLOTCBSA-N 441.326 0.683 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1840152026 URAFQOGZNIHQIF-WIYYLYMNSA-N 440.924 0.948 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354289 RBSHMHKNHNGMGF-STQMWFEESA-N 429.901 0.716 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1843103826 IDKOJRDQUVQENM-MELADBBJSA-N 431.917 0.160 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1844790901 LCAFPAIGPFVRPT-UHFFFAOYSA-N 437.261 0.069 50 20 ICGD COc1cc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)ccc1[N+](=O)[O-] 1846385587 WUHCCXBDKKSFAX-UHFFFAOYSA-N 447.492 0.722 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)c1 14326561 LVTBXCBLOQQHSB-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 23685813 PGKQGBLHEFBDAG-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 725873404 NLLSPGMENJMAOS-UHFFFAOYSA-N 433.450 0.344 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc(-c3ccccc3)no2)c1 728080972 VWOCZORWVJEZFC-UHFFFAOYSA-N 444.473 0.860 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728176864 MNOFVGDLLHVFDE-AWEZNQCLSA-N 433.552 0.246 50 20 ICGD Cc1ccc(-n2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nn2)cc1 728328547 WNKCKKCJXXDGLU-SFHVURJKSA-N 437.412 0.720 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(C(=O)N(C)C)c2)cc1 728511234 FQFFYFAORJZUPW-UHFFFAOYSA-N 432.502 0.779 50 20 ICGD Cc1cccc([C@H](CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)NC(N)=O)c1 728723714 SPJLQYWNHBLCNV-AWEZNQCLSA-N 433.490 0.793 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 731496384 BCHBDIRAKXBQFO-UHFFFAOYSA-N 434.478 0.586 50 20 ICGD O=C(Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1)NNC(=O)c1ccc(F)cc1 731837404 ULTQIOZRSHPDSB-GOSISDBHSA-N 439.451 0.847 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C 734256415 VPUGNVDPDWEHRT-UHFFFAOYSA-N 432.444 0.858 50 20 ICGD COc1ccc(OC)c(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735118681 XSWXFMOFXKUFDN-UHFFFAOYSA-N 449.533 0.721 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNc1cccnn1 736702003 QQZBQUPUSONSCF-UHFFFAOYSA-N 432.462 0.702 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCN(CC2CC2)C1 739035887 QODBWTQBLSOTNV-QGZVFWFLSA-N 435.550 0.899 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(C)c2c(O)nc(O)nc2n1 740749458 ZNBKNWZYLBVJSJ-UHFFFAOYSA-N 445.461 0.421 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCCC1 744446785 NUQAKKITGBHGJF-UHFFFAOYSA-N 440.522 0.546 50 20 ICGD O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621733 OWPCRBRNMPZTFE-UHFFFAOYSA-N 449.518 0.635 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 746745994 AMTJVQALGCKLNX-UHFFFAOYSA-N 436.472 0.880 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 748464526 DPJKPRUUVXVSDA-UHFFFAOYSA-N 437.504 0.875 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Br 755028003 ZXYRXBFYXGLRGQ-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F 755914539 DYDVZLOCFMGODW-LURJTMIESA-N 432.352 0.980 50 20 ICGD COCCn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 756312089 VBSUHUWYJDRKTG-UHFFFAOYSA-N 436.494 0.781 50 20 ICGD CC(C)c1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1ccccc1Cl 758044673 MNCFMOJHUREENB-JTQLQIEISA-N 428.902 0.743 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 762907116 DDCZRHNHEDQAJQ-UHFFFAOYSA-N 437.526 0.439 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1C 763974617 TXIFXEXWBNOTPI-UHFFFAOYSA-N 440.865 0.710 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764136086 NOFLWHMOQFAODH-UHFFFAOYSA-N 446.485 0.465 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)c3c[nH]nc3C)c2)c1C 764295389 MFADTQVMESGGFE-UHFFFAOYSA-N 439.432 0.789 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767679598 ILHOZGBBHZMWNG-CQSZACIVSA-N 444.469 0.538 50 20 ICGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 770307008 NGZJCGZUOSJYOY-GFCCVEGCSA-N 426.499 0.463 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)c2)CC1 770772779 BKNCNXRIDJAOTB-UHFFFAOYSA-N 427.509 0.428 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 778495914 VNHNJGVJSWCDHR-QFIPXVFZSA-N 441.488 0.925 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)c2ccccc2c1=O 780880108 SOHHJOANAPTPLY-UHFFFAOYSA-N 440.464 0.294 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNc2ncncc2Cl)CC1 780990691 SCZTVBHOOSLODT-UHFFFAOYSA-N 439.929 0.892 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)n1 782536975 CPZZRILGOBMXOO-UHFFFAOYSA-N 435.506 0.697 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cccc(OC)n3)cc2)CC1 784841887 DHPAVVKBDUTZOJ-UHFFFAOYSA-N 440.504 0.879 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCc1nnc2n1CCOC2 790677483 LXLPXTXWBVSSAQ-SNVBAGLBSA-N 439.270 0.869 50 20 ICGD CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NNC(=O)CNC(=O)c1ccco1)C2 790692902 RVWSFMLHQHNGOT-UHFFFAOYSA-N 449.489 0.059 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 792860508 WSKNZYQIHAIBPF-LJQANCHMSA-N 428.449 0.019 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(Cl)cc1C(N)=O 793024127 ZTNVHILGFRDLGE-UHFFFAOYSA-N 434.792 0.576 50 20 ICGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1F 793451541 UPXOOVVXWIJZCH-LLVKDONJSA-N 441.441 0.233 50 20 ICGD O=C(NNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)N[C@H]1CCS(=O)(=O)C1 795527985 TUWSTDNHGXXATK-GJZGRUSLSA-N 430.477 0.661 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c(C)c1 796991691 HPOHHKCSCKWRIK-UHFFFAOYSA-N 444.444 0.293 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1C 798307785 GSUBAXQSKWBVRD-UHFFFAOYSA-N 426.477 0.958 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N=c1cc[nH]cc1 802031284 CXSKZOCQLUNUBZ-UHFFFAOYSA-N 433.368 0.533 50 20 ICGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(F)c1 802566332 JZBMXADIKFWNTI-UHFFFAOYSA-N 425.351 0.593 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814269944 OKCBURRIBMQFIO-UHFFFAOYSA-N 447.469 0.798 50 20 ICGD Cn1c(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2c1c(O)nc(=O)n2C 814972529 IPDVBTMUPOAGLI-NSHDSACASA-N 433.469 0.470 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1I 815513464 HBLJCWMKNMTLRK-UHFFFAOYSA-N 428.186 0.643 50 20 ICGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)CN1CCCC1=O 819937451 GEYJNDRJZYMRQR-CQSZACIVSA-N 435.506 0.054 50 20 ICGD CN(CC(=O)NNC(=O)c1cccnc1)S(=O)(=O)c1ccc(Br)cc1 915357389 CSQDLKWGWZYBEV-UHFFFAOYSA-N 427.280 0.926 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c2ccccc2c1=O 916124893 FNKNIHSHGPWWCK-UHFFFAOYSA-N 447.448 0.839 50 20 ICGD Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 916318243 MXNDWCAZQYQRBB-HNNXBMFYSA-N 432.506 0.537 50 20 ICGD C[C@@H]1CN([C@@H](CNC(=O)NNC(=O)C(=O)NC2CC2)c2c(F)cccc2Cl)CCO1 916429488 AMABBRIRFUWJGJ-ABAIWWIYSA-N 441.891 0.850 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)s1 917625008 LNBUTSIJBKDWEC-QMMMGPOBSA-N 438.325 0.165 50 20 ICGD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883550 BJFWDFMKXMKGBG-IUCAKERBSA-N 437.305 0.629 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778513038 LNUHXHZJBBJWET-NRFANRHFSA-N 428.493 0.379 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778599690 NDBVJFQLPJZLTC-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD O=C1CSc2ncc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2N1 1782421195 NFEVLBVIRQRBCM-ACJLOTCBSA-N 440.909 0.169 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932199 ORJXNUXQGOYGIU-JCURWCKSSA-N 435.315 0.606 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(F)CCCC=C3F)C[C@@H]21)c1cccc(B(O)O)c1 1786986826 KKCSQNZCMRUBSV-ABXWHYIOSA-N 448.275 0.705 50 20 ICGD O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787436836 NBUNAHUCNOIGTJ-KBIXCLLPSA-N 431.205 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681351 TWGKKEAMGFTTTH-DZJNWNRZSA-N 433.509 0.051 50 20 ICGD CCc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788952455 HGRGWAOSVPPYRJ-IEZWGBDMSA-N 441.293 0.132 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1791065281 SWBUQFMWMCOUJG-OSFYFWSMSA-N 426.311 0.971 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1 1792233713 XIVODZZZDVXGAA-PWZKMPOXSA-N 436.317 0.763 50 20 ICGD CCOc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792381849 LZOSQJBSRMECTI-CCWDJLKJSA-N 433.509 0.057 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)n1 1795114374 AZGALWMQWOMHRI-YWVIFJGQSA-N 429.315 0.518 50 20 ICGD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c[nH]1 1795737269 NBXYEICOMJODBB-XEMDLRDOSA-N 439.321 0.509 50 20 ICGD O=C1COc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cc2N1 1796191444 MYPYAJVSWLUTTC-BCDXTJNWSA-N 449.272 0.263 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796890465 OSJOZNZICZYJLP-YIYPIFLZSA-N 436.372 0.834 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800394490 RKZJWAVJNRPZEP-NDKCEZKHSA-N 437.356 0.327 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801460413 OXOFWAULVAVLCE-JRATXPSKSA-N 426.311 0.950 50 20 ICGD Cc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801888490 KNOKZCSYIIZZPQ-HBCWATKFSA-N 441.463 0.650 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)c(=O)nc1O 1801971539 RFPQTZUHAPVUJU-AZGFTEDZSA-N 447.319 0.083 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803142978 PZNIFROTDSHLOR-MIGQKNRLSA-N 425.917 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1806123170 SQKZCPCUDHUESF-IERDGZPVSA-N 441.488 0.727 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cccn1 1807368759 YABZZUZWESZILA-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810359218 NQJMIVUUUXGYPF-IYOUNJFTSA-N 431.320 0.542 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncccc1F 1811121710 KDPHCXJMDFUTJU-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1ncoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339644 LUTMUNGNCMHTEJ-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1822024252 AIBIXAKBFUXDDX-CQSZACIVSA-N 446.346 0.473 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1 1822161659 CPADFNBCUDZSIN-HOTGVXAUSA-N 427.465 0.893 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cnn2c1OCCC2 1823994399 GYEHELXZRDXLCT-CABZTGNLSA-N 425.898 0.948 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1824185573 YKHOSPZGYWWBHM-YTQUADARSA-N 429.005 0.842 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1824452053 XMFJJAHOOGMNFE-NEPJUHHUSA-N 445.549 0.708 50 20 ICGD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)o1 1826085452 UMOYVGCRSJKOSX-NSHDSACASA-N 435.510 0.362 50 20 ICGD O=C(CC[C@H]1CCOC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827318565 VMMWYAHFZWKBQI-BBRMVZONSA-N 443.334 0.865 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1830539896 KFNQJEYHOHSQNB-UGSOOPFHSA-N 445.310 0.873 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1830540620 QZZUOMGRYKLLHF-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1830542785 DSLJIXAEVRHSJX-OLMNPRSZSA-N 432.359 0.616 50 20 ICGD Cc1ccccc1NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722426 BRSADAPTVXPNLL-PXNSSMCTSA-N 425.913 0.463 50 20 ICGD O=C(c1cnc2ccccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727713 CIGWDHZKOSULSB-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730886 GMGYFSWSHNZKCF-XLIONFOSSA-N 439.871 0.977 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831452083 MQJBPAGKZQYQQA-RVKKMQEKSA-N 438.974 0.531 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)[C@@H](O)CCl 1833312730 ZBROCFLUDJTVQC-AWEZNQCLSA-N 428.877 0.103 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)/C=C/C3CC3)CC2)CC1 1833325266 ZELYZFSGACOWGQ-ONEGZZNKSA-N 440.548 0.837 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837533110 KDXNJQWRHRIFSF-WDEWIYFLSA-N 438.308 0.776 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448958 KLHMSJNDKQQIBF-HNAYVOBHSA-N 428.869 0.422 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840031941 HPFBGJPFKMRENP-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1840156647 RQVQFMBUWCDGPH-ABSDTBQOSA-N 431.961 0.569 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1cncn1 1840420619 PSGTZLDHXUTXCN-COXVUDFISA-N 434.324 0.532 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1840463974 OVGWFNPZDNGRRC-KRWDZBQOSA-N 429.315 0.204 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN2CCc3sccc3C2)C1 1841935547 KJVOGRZUBFFMBU-UHFFFAOYSA-N 433.578 0.683 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013415 GUHMBBDEGMQUKY-UHFFFAOYSA-N 447.222 0.840 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843652143 JMGYAHQLCNLVKT-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD NS(=O)(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 726066127 OMAZLXMSYXFHCD-UHFFFAOYSA-N 427.460 0.169 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)[nH]c(C(C)=O)c1C 726088269 FLIGKIGSKKHMSK-UHFFFAOYSA-N 449.489 0.609 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)NNC(=O)c1ccccc1 727192614 OXPCHDMYLUHLHD-MSOLQXFVSA-N 441.440 0.763 50 20 ICGD CCc1noc2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc12 728345573 LSGFXOIJHOTFOS-INIZCTEOSA-N 426.385 0.929 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 729275065 KEMDHBKANIIGMS-NSHDSACASA-N 434.503 0.695 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1Br 732176154 TXAQXXVVDIRAON-UHFFFAOYSA-N 446.283 0.153 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1)S(C)(=O)=O 732476051 XQVKQHDSRHNQFT-UHFFFAOYSA-N 431.474 0.863 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCC1CC1)c(=O)n2Cc1ccccc1 734422688 YVULZTXYTYFEQP-UHFFFAOYSA-N 438.488 0.766 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 735118027 NDTZSCHZACWYBG-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 742470981 ZEUKWVFILATABK-GUYCJALGSA-N 448.501 0.967 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc([N+](=O)[O-])c3)nc2)CC1 743346820 WIHYAMDZIYZPNL-UHFFFAOYSA-N 449.493 0.752 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)no1 744551462 UZAMRVHXJWUDRJ-LBPRGKRZSA-N 445.457 0.919 50 20 ICGD Cc1ccc([C@H](C)[C@@H](O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 745756744 NXAVRCRRRKNLOS-BOUXLOLZSA-N 428.441 0.990 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 745858276 OFTRQTOBYOXSKY-GOEBONIOSA-N 439.538 0.134 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NNC(=O)N(C)C)cc1 746014676 LBGNSOZABNESOP-UVTDQMKNSA-N 425.449 0.643 50 20 ICGD CC(C)(C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 746239333 IJLUUEDHTUZSKY-AWEZNQCLSA-N 444.513 0.812 50 20 ICGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 747608802 OWEOUFUMPDPDTQ-QMMMGPOBSA-N 442.313 0.137 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O 748518250 GMPHMPUEPPNOIH-UHFFFAOYSA-N 434.352 0.400 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1 748561580 DTNJTWPPMFAMQY-UHFFFAOYSA-N 426.454 0.816 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@]34CCC(=O)N3CCS4)cc2)CC1 748620627 RXDHURCUIALKQV-SFHVURJKSA-N 439.563 0.131 50 20 ICGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 750713382 FAUBPBBFKLDSRU-OAHLLOKOSA-N 432.506 0.395 50 20 ICGD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206674 UGPJQJMMNIKSHX-UHFFFAOYSA-N 442.313 0.892 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n1 763594758 MCWREUDTDVPTHZ-UHFFFAOYSA-N 444.492 0.434 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc21 764006174 LQOIGXOTNVNWRX-UHFFFAOYSA-N 425.401 0.048 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2scnc2C)cc1S(=O)(=O)NC1CC1 764246247 YTDCJGNWOSTTLE-UHFFFAOYSA-N 437.503 0.600 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)ccn1 764294831 FCAXNHCGHFPMJF-UHFFFAOYSA-N 437.416 0.665 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1F 764318162 BSSSHPIKIZOEHG-UHFFFAOYSA-N 429.376 0.836 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 764318770 FNRPSFMFRSALBO-UHFFFAOYSA-N 449.201 0.200 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cccc1C(=O)N1CCOCC1 764319385 QHXPSJYLJZKRGN-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 764398372 GKPYOYADFWRJLD-CABCVRRESA-N 434.493 0.839 50 20 ICGD O=C(Cc1c[nH]c2cc(Br)ccc12)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 765069726 BZVQHVMHFYFXED-LLVKDONJSA-N 429.296 0.990 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(-c2cccs2)[nH]n1 765570084 RGCOPODRUBGYBX-CZPYZCIJSA-N 429.458 0.452 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766646086 FFGLYXSYHXIJNP-QGZVFWFLSA-N 447.561 0.293 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)NC(=O)NC1=O 768931103 WCGIQXXHGPRJBJ-LJQANCHMSA-N 444.473 0.109 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(F)ccc2Br)cn1 770233500 NZPJJYIGKHESEM-UHFFFAOYSA-N 431.243 0.966 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccc(F)cc2)s1 772632146 WRKBHLMDTVEJII-UHFFFAOYSA-N 430.483 0.883 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)n1 773724491 POHDGJHVNJUXMW-INIZCTEOSA-N 441.492 0.733 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780388425 ZSMLWPCKJOFLJW-UHFFFAOYSA-N 439.515 0.775 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783265832 YJAUMWOSXGYZNF-UHFFFAOYSA-N 435.462 0.637 50 20 ICGD CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 783425721 DAXWSXUIOBFUOA-FQEVSTJZSA-N 436.534 0.695 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCOC(C)C)CC2)cc1 784683848 JIANGVPBBNBCHE-UHFFFAOYSA-N 440.566 0.654 50 20 ICGD CSC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1 789290063 SBFDVHLUSDSBPT-UHFFFAOYSA-N 428.584 0.930 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 792853649 GFRRFMRUJDIRIU-HNNXBMFYSA-N 441.531 0.864 50 20 ICGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855930 VMOMHTOFYIRHKN-HIFRSBDPSA-N 434.559 0.144 50 20 ICGD Cc1nc2ccc(Br)cn2c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 793176139 JYVHQDXTJRVFAC-SNVBAGLBSA-N 430.284 0.536 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 794597033 SMONTJCDDGFHLI-UHFFFAOYSA-N 443.450 0.517 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1ccccc1F 795159994 AYFPFRILPPQCPG-UHFFFAOYSA-N 444.510 0.888 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1OC(C)C 799259114 SZEJZPVMQWKXFO-UHFFFAOYSA-N 431.449 0.860 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 812429543 OZGLZEYAIIBYKG-NSHDSACASA-N 440.453 0.780 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 815691736 ZOYAFOANWVMTEY-NSHDSACASA-N 428.840 0.466 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C1(S(C)(=O)=O)CCOCC1 815854954 XVLSPNLPJWYWBK-UHFFFAOYSA-N 433.552 0.800 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 816510307 RMYNOTXMJJUZPA-LLVKDONJSA-N 434.457 0.582 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)N3CC[C@@H](B(O)O)C3)cc(-c3ccc4c(c3)OCO4)nc21 864230836 FSDVWMRKILMEKJ-LLVKDONJSA-N 438.205 0.119 50 20 ICGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 912920135 VVMPPOXUXFDPOR-KFWWJZLASA-N 426.539 0.778 50 20 ICGD O=C(NCCN1CCc2ccccc2C1)NNC(=O)c1csc(N2CCOCC2)n1 913464962 HDFIREFMOQODJK-UHFFFAOYSA-N 430.534 0.982 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1C 914881462 GTJLPZZKXZBPNQ-UHFFFAOYSA-N 449.514 0.877 50 20 ICGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 915190637 FHHNKUDMKDFNHF-UHFFFAOYSA-N 434.430 0.691 50 20 ICGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 917716855 FPXQPACLFMPMRM-KRWDZBQOSA-N 436.442 0.778 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1[C@@]1(C)NC(=O)NC1=O 917717911 ZITLEOOMTAXADV-GOSISDBHSA-N 436.421 0.512 50 20 ICGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 918210411 VDWQFWASCKZGSW-CXAGYDPISA-N 434.518 0.433 50 20 ICGD COc1ccc(CC(=O)NCc2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)cc1 920432946 LGQITYOOSDTUMY-UHFFFAOYSA-N 438.484 0.938 50 20 ICGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1ccccc1OCC(=O)N1CCOCC1 1320130446 KZFJTWZYGBTKMM-UHFFFAOYSA-N 442.476 0.993 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)[C@H]2C1 1324027574 WBZQWDLPGGFHFB-RRQGHBQHSA-N 426.477 0.525 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)CC1 1324246661 VMXWTBLAGGVPDS-UHFFFAOYSA-N 433.527 0.375 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778181291 PULVMUHHIVJFQR-UWJYYQICSA-N 435.908 0.462 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CCl)C2 1779197050 FGFRBJPKHGAUAD-FRIZHTMISA-N 433.933 0.830 50 20 ICGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)no1 1779696216 YCLHNSVOHMPXOJ-KURUZVKSSA-N 442.476 0.815 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105159 BZIDSFYTSIKSIE-MDZRGWNJSA-N 445.402 0.626 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1781259145 SGYSBYWJLSHJKW-WAIKUNEKSA-N 438.289 0.319 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213625 ZXTNQSUSFDBNTN-CBGDNZLLSA-N 425.574 0.214 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnc2c1 1783937627 WDVMNJMLOFHHRO-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732847 OUALUUIZXVZEMP-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD C/C(=C\c1cccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795736685 ATLZIQGFPROING-OCPLZGMJSA-N 440.330 0.735 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1800637879 JHLCLCIMUNYLIL-FQLMCAECSA-N 434.400 0.798 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1800759484 RFZGLGLYHYWYOR-IPVBOJNNSA-N 426.311 0.782 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805532504 MTCCIBDZSYQLEH-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805718555 SJGJKOSQOCFBHM-XLIONFOSSA-N 433.277 0.128 50 20 ICGD CCc1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1807361525 QWZXTMFKOQRKHH-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808674915 AIIGDAJDXROSKW-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1c1cccnc1 1810300507 ZEPLCPXQCDOIRK-YOEHRIQHSA-N 434.460 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1=COCCC1 1813113883 IUJIIEWOAKTIQT-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1816983413 TZKOIHYNICSBLF-PEXQALLHSA-N 429.955 0.681 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818122120 WJTBQBGMBFWXID-SCLBCKFNSA-N 441.297 0.262 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328595 ODEHZUACVBARGE-CYBMUJFWSA-N 444.630 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)CC2 1826088976 RKLISCAHCMWOJU-AAEUAGOBSA-N 436.538 0.049 50 20 ICGD CN(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926012 XONIZKKBSVKICZ-IBGZPJMESA-N 430.553 0.870 50 20 ICGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830726643 SHLBJLZHXHONBN-XLIONFOSSA-N 441.912 0.079 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732142 VHLLLBLHDXQNJH-SUMWQHHRSA-N 436.267 0.544 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832433710 SIIFQEYEIHHRKJ-LAUBAEHRSA-N 440.924 0.738 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832673139 XDMZRZWKDVBHAO-SFHVURJKSA-N 442.310 0.702 50 20 ICGD Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834075778 SGMQPSYVGQYBDT-ZDUSSCGKSA-N 431.310 0.691 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834801240 RXVSCCOPEDQSTJ-UHFFFAOYSA-N 449.320 0.065 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(O)nc(O)c1 1834985916 QFWZGRDAAYQJJH-HNNXBMFYSA-N 426.901 0.278 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC=CO3)CC2)CC1 1835724149 UPAJQRYDHWWOAM-LJQANCHMSA-N 435.569 0.624 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839142718 XTGWZHWELWEUHL-FOIQADDNSA-N 435.912 0.905 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840030321 IOTDZYWRYPDXCX-CXAGYDPISA-N 427.299 0.259 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840151855 PMWCZDXLBRKGGB-FOIQADDNSA-N 440.928 0.612 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458840 CGSJWAPYOVHINN-APWZRJJASA-N 426.901 0.119 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C2CCOCC2)C1)NC(=O)NCc1ccccc1 1842761022 HPHOYIDLOBCVEA-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)ccc12 1843124015 UOMJJWCMVQQLHZ-HNNXBMFYSA-N 434.880 0.928 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 725881914 XGVLSDGWHFDMTE-UHFFFAOYSA-N 440.551 0.813 50 20 ICGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854593 ZPWUNXPSNWZVFO-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 729300792 VBTZQTLFDIRNJL-UHFFFAOYSA-N 434.518 0.681 50 20 ICGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N(C)C1CC1 729617079 FVBJNZSKHOCEKZ-CQSZACIVSA-N 425.559 0.127 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)NCCN2CCOCC2)c1C 732156991 RFCLHXYSGJGSAF-BRLDDBHUSA-N 431.537 0.784 50 20 ICGD Cc1oc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 732260559 FZDGUAZVBNJSSS-OKILXGFUSA-N 442.538 0.633 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 734543766 PLIITXNOXOLPRF-INIZCTEOSA-N 428.445 0.911 50 20 ICGD Cc1cc(C(=O)O)c(O)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 743835565 BZWUJMNLRUUHSN-UHFFFAOYSA-N 428.444 0.426 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccs2)nn1)NNC(=O)c1cccc([N+](=O)[O-])c1 745561974 YIVHPPNBAYWHSC-UHFFFAOYSA-N 430.402 0.914 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N1CCOCC1 745995962 FSQLODRCRZMNPI-CYBMUJFWSA-N 434.515 0.299 50 20 ICGD Cn1c(N)c(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(=O)n(C)c1=O 749812888 TYIFXUGLLLSQDK-UHFFFAOYSA-N 432.440 0.734 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCCCOC)c(OC)c1 761282541 NGBZJCNTKZLLKA-UHFFFAOYSA-N 438.528 0.376 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763574536 CVDICHFRXGJSQE-QGZVFWFLSA-N 442.428 0.080 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)ccc1NC(C)=O 763647806 QSZBQPBTIFBIHJ-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 763682584 XABLLCDAQOSVHX-UHFFFAOYSA-N 449.423 0.372 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 763711255 FUJUJGIJEZXPJB-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cn1 763894885 FATIOUDPHSRCCX-UHFFFAOYSA-N 440.478 0.893 50 20 ICGD CCCCCn1nc(C)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917235 RSTGMCBZCFCOPS-UHFFFAOYSA-N 425.453 0.757 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763919132 RHDJPTGCWXBQEG-AWEZNQCLSA-N 426.404 0.360 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1COc1ccccc1 763997331 JTSWOEGQMYBMCO-HNNXBMFYSA-N 431.470 0.786 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c(O)c1 764105653 WZCOUHIOTQEUIL-UHFFFAOYSA-N 441.444 0.570 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 764425248 OCNHGJDMBOIYNY-CYBMUJFWSA-N 427.339 0.392 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 764426435 USQHFMLSAWRPDA-CQSZACIVSA-N 428.898 0.395 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCc1ccc(S(N)(=O)=O)cc1 767272252 FQLNZHJSOHGWKS-UHFFFAOYSA-N 433.486 0.508 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 768242956 LIUMTZYWRNEGOA-UHFFFAOYSA-N 427.513 0.685 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)NC2CCCCC2)c1 771818938 KIVGACXNNGXAGH-UHFFFAOYSA-N 427.527 0.542 50 20 ICGD O=C(NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)Nc1ccccn1 776978200 GOQMGROMOOUQCF-HXUWFJFHSA-N 429.408 0.918 50 20 ICGD O=C(N[C@@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1)OCc1ccccc1 780967333 SLZJTJZNUQRJCX-FQEVSTJZSA-N 427.417 0.253 50 20 ICGD CN1CCC(N(C)c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 783427590 PAULVDNBRUIDBX-FQEVSTJZSA-N 437.566 0.354 50 20 ICGD Cc1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2F)c1 784002972 YSCUUKXAKWUXQV-UHFFFAOYSA-N 428.380 0.429 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 784576322 OPZUMRAIMUZYKN-UHFFFAOYSA-N 432.886 0.615 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(C2CCCCC2)C1=O 785561971 BUYUMVMLNXPBQV-QGZVFWFLSA-N 426.481 0.930 50 20 ICGD O=C(NCc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 786727361 CADOOHYEHIVFMT-AWEZNQCLSA-N 432.458 0.817 50 20 ICGD CSSCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 793081621 RMWPMEMTHGISHS-UHFFFAOYSA-N 433.581 0.229 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 794077170 QPWQLZMQJWGPSM-IAGOWNOFSA-N 444.469 0.764 50 20 ICGD CCOC(=O)c1ccc(NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1C 794655572 ACDOSJDWVZYQCT-UHFFFAOYSA-N 448.457 0.870 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799673984 VRYPQJSMACWNFK-UHFFFAOYSA-N 430.408 0.955 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)C2=O 801109625 WGSPALYOSVHYPR-UHFFFAOYSA-N 429.477 0.972 50 20 ICGD O=C(NNc1cccc(F)n1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 806171679 RQAFSNHFFXRIGG-GFCCVEGCSA-N 443.482 0.835 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812982658 PPYJOUSUHZXGGX-UHFFFAOYSA-N 448.505 0.561 50 20 ICGD CC(C)(C)OC(=O)N1CC2(CN(C(=O)NNC(=O)CNC(=O)c3ccco3)CCO2)C1 814366787 RWJABOORCPZFJI-UHFFFAOYSA-N 437.453 0.072 50 20 ICGD COc1ccc2c(c1)C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CCCS2 814784660 HHUHVFDMYZJPPK-UHFFFAOYSA-N 435.531 0.986 50 20 ICGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2O1 815691676 XTZQEEYGFKDDER-LBPRGKRZSA-N 428.449 0.914 50 20 ICGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693055 KOWFXCHSEOYLCO-SECBINFHSA-N 436.375 0.082 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1nnc(O)c2ccccc12 818837834 FBLHDGMGNVIZFP-GFCCVEGCSA-N 427.508 0.157 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913156106 SESQZKWYNSBIIJ-UHFFFAOYSA-N 433.425 0.127 50 20 ICGD O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914748107 HACMELFMIJWSDB-UHFFFAOYSA-N 433.446 0.111 50 20 ICGD CN(C)N(C(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 915283248 XMRGEEKLKBAODW-LBPRGKRZSA-N 446.323 0.667 50 20 ICGD CSc1ncc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1 919889471 MSNKSFGTUUXJFY-LLVKDONJSA-N 427.483 0.864 50 20 ICGD CCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920849880 WAKAWXLTHINIFR-DSQDWWTGSA-N 438.488 0.982 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1779028149 FPUUVBYVACKYKB-SFHVURJKSA-N 434.840 0.084 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)c[nH]1 1782044777 XHCXBTFDXQPHPI-WIYYLYMNSA-N 429.257 0.275 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783350722 APJULHAXJQSGOX-GTNSWQLSSA-N 440.298 0.193 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1783973396 AEXPNFWCBPOCDG-AJNGGQMLSA-N 441.326 0.866 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786480507 RMUFYXQXIMQFNH-FNHZYXHNSA-N 448.476 0.675 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CCC3)[C@H]2C1 1789833813 UFIXYJGNOONBOH-LNMJFAINSA-N 427.505 0.635 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1793012105 LEBZFUQIIOZTIR-XLWJZTARSA-N 433.933 0.764 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793929628 RRWGWQCENFPRIL-NDMOTNCASA-N 441.444 0.186 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnc2)cc1)c1cccc(B(O)O)c1 1795932425 PHSWSLJFRMBBIG-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796367783 VOZHJOOUAVFDEM-ITGHMWBKSA-N 437.896 0.386 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cnccc2n1)c1cccc(B(O)O)c1 1797406334 OLDMULPXFHSWEI-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1800756816 DQPJOPHPGHFCOS-IQMQYZSSSA-N 447.355 0.162 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc(OC)c1C 1801832288 XZDUBELXWYOSSN-BASYENTBSA-N 426.897 0.815 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)[nH]1 1803814509 ZZVGHXHIFZIIJS-BEFAXECRSA-N 448.487 0.745 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192762 CBQUNUMDYCNTKH-ZLHSVIROSA-N 444.363 0.917 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807362522 HHCSKDIVUIOWRK-DENIHFKCSA-N 447.304 0.286 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807363639 AYCRYAPQROWUMX-FKZIFTSASA-N 437.261 0.112 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)cn1 1816636845 KHDMCWNFYJJSTJ-SFHVURJKSA-N 435.249 0.810 50 20 ICGD CC[C@H](NC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403056 UAVPKPOEIYKUEE-GOEBONIOSA-N 428.497 0.712 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823001758 LMRHPEFKWACYNK-GRQVRMODSA-N 448.274 0.344 50 20 ICGD O=C([C@@H](F)Br)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903184 FALPJUBTNCLQLK-SWLSCSKDSA-N 447.305 0.848 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826513227 MBLPTQKJTOYSHN-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055634 AOTIHGWKBBERPP-NRFANRHFSA-N 438.337 0.956 50 20 ICGD O=C(c1cnsn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056343 SKNRLKIGFRVFMS-SFHVURJKSA-N 428.323 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829746591 PYKDBBLUILBIET-KEYYUXOJSA-N 433.343 0.777 50 20 ICGD O=C(c1cc2cccnc2s1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727694 BSUKXDUGIGNRPF-AUUYWEPGSA-N 439.921 0.966 50 20 ICGD CC(C)c1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833280774 HDJYXKPVDLBROY-KBXCAEBGSA-N 431.942 0.936 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1833519556 KCBCNSMRDZAILE-OXJNMPFZSA-N 425.913 0.968 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)s1 1836078699 DEOQFWSIUSJPQW-MRXNPFEDSA-N 447.355 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1838789218 MDKPFKAZKHGFNA-UHFFFAOYSA-N 449.556 0.040 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839155057 HICSPCGKRAGAMR-SJORKVTESA-N 434.324 0.361 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839198406 ZLGUKYRQYIIDGS-CZUORRHYSA-N 449.277 0.189 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839967239 GOXBOJKWIGUKHT-KSSFIOAISA-N 433.343 0.921 50 20 ICGD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1840027512 CKYCBMSGSWZBPT-XTVULVGKSA-N 435.427 0.709 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355193 ARCJTQOYHHLGLW-WMLDXEAASA-N 444.330 0.156 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843417141 AUFGHODFXWJRIG-ZZQPOVDQSA-N 430.509 0.629 50 20 ICGD O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cccc([N+](=O)[O-])c1 8953623 PUDUNPMWYKIOTK-UHFFFAOYSA-N 439.384 0.768 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1OC 28856372 YSHIEIHPKTWSPK-UHFFFAOYSA-N 430.446 0.938 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O 730204815 FDCFEMUJVYWSKU-UHFFFAOYSA-N 443.485 0.792 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 730315910 FZBOLELWSXTEKR-ZDUSSCGKSA-N 439.490 0.710 50 20 ICGD N#CCOc1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 732365667 XAFZEFFOYCPUIJ-SFHVURJKSA-N 425.397 0.662 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2ccccc2c1=O 741093177 NXNLHAYFTDNWIS-OLZOCXBDSA-N 435.506 0.716 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 741207557 GSWJDBBKUDHHLB-HNNXBMFYSA-N 428.497 0.891 50 20 ICGD CCc1nsc(N2CCCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)n1 743580386 XYGYHUIQWQAGNN-UHFFFAOYSA-N 437.551 0.845 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 744515934 IADHIARQMJKVMC-UHFFFAOYSA-N 431.426 0.144 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2cc(Br)ccc2=O)c1 744715808 UWCSKKHRFCVQDL-UHFFFAOYSA-N 433.218 0.487 50 20 ICGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)c1ccc(F)cc1Br 745854797 NYKJSVZJUJEMNT-UHFFFAOYSA-N 426.264 0.593 50 20 ICGD CCc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)[nH]c(C)c1C(N)=O 747974982 IYWOAEHNJKQCPN-UHFFFAOYSA-N 440.504 0.203 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1COc2ccccc2O1 748214389 RGUZVLFLTQHDKI-INIZCTEOSA-N 429.389 0.381 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 748625844 OOJQVPUXTAAPJC-AWEZNQCLSA-N 430.527 0.597 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)nc2)cc1 751267805 ZKSJVGGASOINHQ-UHFFFAOYSA-N 429.487 0.997 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 754745358 QNQSJACYALFNQK-SSDOTTSWSA-N 430.382 0.148 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 758039483 KVFPWAXOQPIAIQ-YUMQZZPRSA-N 442.719 0.955 50 20 ICGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 758363886 DKRNWTAOJUZENJ-UHFFFAOYSA-N 435.506 0.661 50 20 ICGD CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758832528 XNLZSXCKTWCZLW-UHFFFAOYSA-N 447.517 0.834 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1 758835480 WCOYHMCDSNTXKY-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763796480 FGHGFFVOQWIFQF-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C)cc2O)c2ccccc2O1 764104649 CIUWLVHSCXJDKF-GOSISDBHSA-N 440.456 0.782 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccccc1 764308594 FIURKUJCTYMQDY-UHFFFAOYSA-N 437.456 0.802 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 764386496 ZHFZGEBOTOARJC-UHFFFAOYSA-N 433.490 0.819 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 764399961 OHUZGXCJBSXMJH-SNVBAGLBSA-N 435.412 0.891 50 20 ICGD O=C(Cc1ccccc1)Nc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1F 764427060 XYSGRZMAYQYOLV-KRWDZBQOSA-N 444.419 0.508 50 20 ICGD CC(C)c1nnc(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 766640207 BYFXOLSQDREJHC-UHFFFAOYSA-N 428.493 0.731 50 20 ICGD CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)=NNC(=O)CSc1nnc(O)nc1O 767362764 ZGOXGSPXBQVQSI-LLVKDONJSA-N 442.498 0.893 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 769152442 FSSCKDXRPFEOLM-IAGOWNOFSA-N 428.493 0.900 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772114403 JCRMQYQHQFNWRL-RISCZKNCSA-N 442.450 0.237 50 20 ICGD COCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 774611357 PQSWTXZRBXFDMD-UHFFFAOYSA-N 427.504 0.707 50 20 ICGD Cc1cnn(-c2c(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)c(C)nn2C)c1 777766561 OLEFKYIDCPMGIF-UHFFFAOYSA-N 444.521 0.899 50 20 ICGD O=C(CCc1nc(-c2ncccn2)no1)N1CCN(S(=O)(=O)CBr)CC1 777835649 BUCKAZCKXKOLEE-UHFFFAOYSA-N 445.299 0.286 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 777939842 REOUFCDNDACRNG-UHFFFAOYSA-N 436.874 0.038 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1C 778430467 SFELDNAEKDEOAY-UHFFFAOYSA-N 432.462 0.534 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778671033 IVIBREPYWYVXCE-OAHLLOKOSA-N 435.529 0.447 50 20 ICGD CCOC(=O)[C@@H](CC(C)C)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 782225495 RJCOTFWAPHDYDZ-QGZVFWFLSA-N 427.523 0.920 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005323 VJWIPAANQNRABH-UHFFFAOYSA-N 447.473 0.462 50 20 ICGD COCCCn1c(S)nc2cc(C(=O)NNC(=O)CN3CCCC3=O)ccc2c1=O 789858304 SUFGTBTXCAJEQP-UHFFFAOYSA-N 433.490 0.105 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 790951495 GUZNEKQLTKZVPF-AWEZNQCLSA-N 426.433 0.351 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792299713 CEWOQNRMUSKBHJ-MRXNPFEDSA-N 436.387 0.290 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1 794517008 YTGVUQPMPOPCCD-GFCCVEGCSA-N 436.469 0.296 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)cc1C 795148328 KCARYABEWUTHIE-UHFFFAOYSA-N 445.544 0.711 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 802722321 WYHAFGZNMWSIHL-UHFFFAOYSA-N 444.329 0.382 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2cc(F)ccc2Br)nn1 807250538 FTBIYCNAMZJOJX-UHFFFAOYSA-N 429.206 0.611 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 813033964 SZCKIQPVBQKFQW-UHFFFAOYSA-N 443.485 0.871 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)cn2)CC1 815564225 BUPHCBOJGMGTRU-UHFFFAOYSA-N 444.448 0.580 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 815751605 GNMBVGQMSMQQNT-UHFFFAOYSA-N 434.474 0.796 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 825781919 LAOCJSLXHUHHBX-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD COCCOc1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 916512367 JZZSDWSRFLVEDJ-UHFFFAOYSA-N 436.494 0.544 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 916526110 YXHLGTOGHIJNIO-CXAGYDPISA-N 431.445 0.308 50 20 ICGD CCNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 916526531 WFOHLEZSIVIBJW-UHFFFAOYSA-N 441.492 0.414 50 20 ICGD COCCCNC(=O)C1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 918739201 YFNINOASSBMWQJ-UHFFFAOYSA-N 440.928 0.974 50 20 ICGD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2cccnc21 1778765891 GSAROVMEOFWMFY-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c[nH]nc4c3)CCO2)C1 1779030250 LWSWWKYCCDHBHS-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779234867 CEBJKGCLGTUHEV-YWZLYKJASA-N 440.928 0.371 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCC=CO2)C1 1779349014 AWCUYCZZAARFKZ-JBYIUTFZSA-N 443.504 0.505 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1O 1782126761 IDHUFETZILVBIH-LPHOPBHVSA-N 425.869 0.394 50 20 ICGD Cn1cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2n1 1782243066 VALHVGUFFBEESD-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783612980 CCCPGOHIMVRUNM-BZIRYSOJSA-N 449.907 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1783874050 CAHDESVFWACFPW-QRWLVFNGSA-N 445.944 0.937 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1783874649 ABJUEOPTZYAHCM-BBATYDOGSA-N 439.925 0.971 50 20 ICGD CNCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508695 HVEGFJSTMQETLO-SMKMMKTPSA-N 432.525 0.100 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788750890 CUBHLKFRAWIOPQ-MRLBHPIUSA-N 430.343 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(-n2cccn2)nc1 1788982014 NRBZGRQMKJYEGU-NXOAAHMSSA-N 433.896 0.460 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926439 YBYOQXNDNTWERF-QNWJLWSRSA-N 437.310 0.364 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3F)[C@H]2C1 1790055228 MNUWJDUSSUDORA-OWQGQXMQSA-N 436.484 0.498 50 20 ICGD Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1790074723 BQIDTCRXNMGJGZ-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868896 VFSUDBDPKFEEAY-VWPFQQQWSA-N 432.359 0.913 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1[N+](=O)[O-] 1792978556 GEMFZAFSWHHWKW-KPEUIFRASA-N 425.869 0.635 50 20 ICGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)CC1 1795446732 LTCJODCEYRROSR-HIRMHNASSA-N 435.396 0.450 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796386831 FNEXJOSQEBGYGV-LSCVPOLPSA-N 430.914 0.344 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3cccc(F)c13)C2 1801013051 SFRXKVMFEFVGEC-DBWKPXFBSA-N 446.483 0.278 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1F 1801743566 YUTZNCLIWKHXCJ-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD Cc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1F 1801756969 ZCLHZGVYMHKDQS-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1805677302 XJOOIYIIKDJKMU-HRAATJIYSA-N 440.504 0.875 50 20 ICGD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1805909464 VTGPPHUMHBCSGT-DYESRHJHSA-N 441.536 0.991 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807468746 IHBCNKNWGFQESK-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1808296478 QZGHXRLVTAETKO-ZDXGLAPJSA-N 444.363 0.917 50 20 ICGD COc1cnc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cn1 1809967648 AVKIOKIXXYSNNF-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1811491106 QNBPEHBXACAIPM-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1813073676 NTXYGVNSXSIPRX-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1813171641 BUUOYSRDKXTRAT-LIRRHRJNSA-N 449.305 0.797 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1814098922 WKIIFDKCXUDCRG-KVDHOEOVSA-N 431.493 0.491 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)CC2)CC1 1814873840 ZVOWDDFOKPHEOQ-HOTGVXAUSA-N 438.960 0.782 50 20 ICGD CC[C@@H](NC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815307216 MQMUUCYQILETSM-GXFFZTMASA-N 431.522 0.365 50 20 ICGD CC(C)O[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344247 PMMTXFKTHOVCGC-IUODEOHRSA-N 431.323 0.862 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)no1 1815868789 NLBMZPYGWROELZ-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)cn1 1816636842 KHDMCWNFYJJSTJ-GOSISDBHSA-N 435.249 0.810 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)[C@H]1SC(=N)NC1=O 1818096826 FSIDNFXOMQOGNX-MVVXRAEJSA-N 442.929 0.804 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccnn1)CC2 1819798144 ZCEVZFAEEWOHBV-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD CN1CCC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827049079 JTCVERSEGNVGSN-JOCHJYFZSA-N 441.381 0.942 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054759 LNWINBQDXNAFPA-HXUWFJFHSA-N 438.337 0.956 50 20 ICGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCCC1 1829967026 IWVPJZVVSSOVGA-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1830537764 OBNIUXCSHHJECN-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1830537886 RPGGQPIYBGDHFR-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719824 LTSQWSKLYBYNSU-GHTZIAJQSA-N 435.908 0.547 50 20 ICGD Cc1ccn2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1830736121 RLGOTIGPEVARQD-OXQOHEQNSA-N 436.896 0.312 50 20 ICGD O=C(c1cccc2nscc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736597 UDDIIUCIPMSIBE-LPHOPBHVSA-N 439.921 0.966 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1830953353 CGJHQNVJZWJRRB-DOTOQJQBSA-N 447.305 0.418 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1831652257 XHVQIFXPQHLMIO-KDOFPFPSSA-N 434.990 0.334 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831827729 JGRPQLAQTFFHLZ-GJZGRUSLSA-N 428.917 0.412 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832813972 MDERCIMTZSEUDU-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n1 1833080878 RMMLOILZFRKBQY-KBXCAEBGSA-N 443.342 0.679 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1CCC=CO1 1835720261 FSYMSMWKSABLAT-OAQYLSRUSA-N 441.337 0.244 50 20 ICGD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1837372590 RFTACKRODCNTCB-UHFFFAOYSA-N 439.321 0.631 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1837693139 IFXDSCQQXKVJPR-LBTNJELSSA-N 446.342 0.165 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1837711606 LSLBSOIZNTVOOG-AZUAARDMSA-N 436.585 0.389 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339952 DSNROLIHHBXZDO-DYVFJYSZSA-N 428.283 0.173 50 20 ICGD O=C(COc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199624 YKYDWIJPMAODEB-WBVHZDCISA-N 446.273 0.607 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839273143 CECQYGZQKGNGSV-YOEHRIQHSA-N 431.804 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960512 LFEUUYDNXZCHOF-UEXGIBASSA-N 440.924 0.300 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841287347 HXAYMGVVMKJOBW-LBPRGKRZSA-N 438.326 0.865 50 20 ICGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845216416 POYIGHVDGRFNIX-SKDRFNHKSA-N 443.273 0.887 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 26508862 BWSDNYTXZZZMMN-HXUWFJFHSA-N 432.383 0.958 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1C 110628225 WLHWOUHZWRCYQM-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD CCCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728331290 IDXKULGTEGNQGM-YOEHRIQHSA-N 433.461 0.698 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728381592 POADQZQZAKRSNZ-LBPRGKRZSA-N 431.536 0.268 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2nnnn2-c2ccccc2)c2ccccc2c1=O 730673394 SUVTWIBSWLDORF-UHFFFAOYSA-N 433.432 0.536 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 733264822 SPCRELCXULPNRC-UHFFFAOYSA-N 436.472 0.698 50 20 ICGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734241553 QCTRBCUVABIKCW-RWMBFGLXSA-N 425.486 0.405 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H]2CCN(C)C2=O)cc1 737995590 USKLATICVMXJQE-RXBGNRNISA-N 436.472 0.688 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O 740738442 GOIQNQMBTCKSRY-INIZCTEOSA-N 435.444 0.075 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c1 741860049 MMQHPRCTORZWLD-IBGZPJMESA-N 446.471 0.579 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc([C@@H]3CCCCO3)n2N)cc1OC 743454628 CXICSBBCJRZWTP-ZDUSSCGKSA-N 436.494 0.804 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744794895 SBXGSVOGONQWCC-INIZCTEOSA-N 436.490 0.457 50 20 ICGD O=C(CCNC(=O)Nc1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 748239953 OAIBFBJXYIUHQA-UHFFFAOYSA-N 426.271 0.731 50 20 ICGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 749864606 PCOMQGPZSUGODO-UHFFFAOYSA-N 435.915 0.463 50 20 ICGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)CN1CCN(Cc3ccccc3Cl)CC1)CC2 750788738 OWQXRAABMKMZDE-KRWDZBQOSA-N 445.955 0.768 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 755439143 CNYIPARAKADCDJ-ATNRAGQQSA-N 443.891 0.940 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 755595511 TUZWZOLFLPWNDD-UHFFFAOYSA-N 442.461 0.669 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 757904337 AQFFBKYYWPIBHB-ZETCQYMHSA-N 431.368 0.451 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Cl 762224083 VTOJCZXSPLSKRO-ZIAGYGMSSA-N 429.926 0.769 50 20 ICGD O=C(NNC(=O)N1CCN(c2ncccc2F)CC1)C1CCN(c2ncccn2)CC1 762414368 PVNPQBGWCYRPQY-UHFFFAOYSA-N 428.472 0.790 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1F 762474216 CFEUHIKSANXYKO-UHFFFAOYSA-N 430.483 0.925 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 763009167 LJAHKRORTDCKBU-LBPRGKRZSA-N 443.485 0.324 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 763895811 HFNRJHJERHHZLM-UHFFFAOYSA-N 430.490 0.348 50 20 ICGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763920625 ASVYUBMYXLXDSJ-UHFFFAOYSA-N 437.416 0.168 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763973523 ARLBKNKZLHFFMY-UHFFFAOYSA-N 426.838 0.353 50 20 ICGD N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 764002614 OSEBJYPSGLJKDA-AWEZNQCLSA-N 442.453 0.871 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764005602 CKJRZBNOFVLBSR-UHFFFAOYSA-N 440.412 0.754 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 764230771 KWHVUBUHTIPXBV-UONOGXRCSA-N 448.501 0.850 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CN(C4CC4)C[C@@H]3C)CC2)cc1 764816789 CFBWKPQQMFOMCL-KRWDZBQOSA-N 433.578 0.888 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)C1 766640985 CPOQMMPWEKPGJD-HXUWFJFHSA-N 429.565 0.909 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 767681451 WPOIQFJSAZIYNP-ZDUSSCGKSA-N 430.442 0.229 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCN(C)C3=O)c2)cc1 771846158 PDMUYVBCJGKXHD-KRWDZBQOSA-N 446.485 0.735 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc2c1=O 772890722 LACRRGFFGMMEGF-UHFFFAOYSA-N 443.847 0.853 50 20 ICGD CC(=O)Nc1cc(C)c(S(=O)(=O)NNC(=O)N2CCOCC2)cc1Br 774617014 ZXMWNWNPQGCPIM-UHFFFAOYSA-N 435.300 0.951 50 20 ICGD O=C(NCCc1ccc(OCC(F)(F)F)nc1)NNC(=O)C(=O)Nc1ccccn1 776247890 XHLMVPQTNNELSW-UHFFFAOYSA-N 426.355 0.929 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779837896 YDRRAFJAXOVEAQ-UHFFFAOYSA-N 433.490 0.948 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1C 800718535 LQZYYCLVAHZQEK-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD COC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 804122049 VTKRPGLBPNOJMZ-UHFFFAOYSA-N 446.913 0.683 50 20 ICGD CN(C)CCCOc1cnccc1CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 808347455 LJGKOZXBAUZOHK-UHFFFAOYSA-N 449.533 0.960 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 810970480 LSIXOHNREGXBHK-UHFFFAOYSA-N 434.902 0.681 50 20 ICGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)Cn1ccc2ccccc21 812884025 CPTIKGRTZHGQCG-HNNXBMFYSA-N 435.506 0.007 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O 892847968 RNFQEODYIVSHMQ-GFCCVEGCSA-N 443.485 0.734 50 20 ICGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 912521587 LMAJVKCEORFWTI-UHFFFAOYSA-N 434.434 0.110 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H](C)SC)N(S(C)(=O)=O)CC2 915292445 OONNWIQPFBQURG-BXUZGUMPSA-N 445.563 0.852 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 916254223 PGKIEEHXZIBTMI-KRWDZBQOSA-N 430.509 0.717 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 916526111 YXHLGTOGHIJNIO-DYVFJYSZSA-N 431.445 0.308 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C1 920824688 ALUUEPGNCALXHN-HUUCEWRRSA-N 436.534 0.737 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2nc(O)[nH]c2c1 921231699 DHQKUZRATOLJPF-UHFFFAOYSA-N 438.491 0.493 50 20 ICGD O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1 921304687 RODQFZBZMVROQT-IAGOWNOFSA-N 430.486 0.005 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1255224622 PMQWFYGJMKOBIB-UHFFFAOYSA-N 437.507 0.193 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)NCC1CC1 1317994836 HXBZGIPYIVDBGM-AWEZNQCLSA-N 430.914 0.614 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008275 GZQURFCXZPZDDP-ILMHXZGMSA-N 443.298 0.799 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1779031293 QSOBYFFEHWTSLG-FQEVSTJZSA-N 443.485 0.316 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032635 PTKCFNVSMRFFRM-JOCHJYFZSA-N 434.456 0.314 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779076499 NBJHAONKPLORGZ-BLLLJJGKSA-N 425.265 0.115 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176804 KQRRWMKRMGXRDT-AUSJPIAWSA-N 437.928 0.832 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779362454 ACNYSGAOWILYFK-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)NCc1ccccc1 1780970263 SMRYXPOOKYQZMM-NRFANRHFSA-N 428.493 0.076 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780989195 NNMTUTQNXWBTSV-NJRDNMGOSA-N 438.488 0.588 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cscn1)C2 1782172540 GKLAIDNSKFKMIG-YYAJDYIMSA-N 444.985 0.781 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cn1)C2 1782211970 KXLRTGXKDMZGFH-XMSQKQJNSA-N 449.527 0.650 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783348792 ANBLCMKJHQQIIY-ZRHOUOSFSA-N 428.327 0.825 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)c[nH]1)CCO2 1783934171 BINAHMRCEOAIBI-GOSISDBHSA-N 445.442 0.850 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(OC)n3)[C@H]2C1 1785201464 NBTVWJQBKUYINJ-LLLHUVSDSA-N 425.913 0.866 50 20 ICGD Cc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979512 SARBYBWQEJFLHY-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD Cc1cccc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985147 NVDMKLCZNGMNJY-JBACZVJFSA-N 436.317 0.890 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788764631 PACGNWNLHITLCT-JQFCIGGWSA-N 449.584 0.130 50 20 ICGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288051 QKVHEQKESSLWFR-WDSOQIARSA-N 431.537 0.285 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccc1O 1791293712 DBPCYSKPWGUVQS-LNLFQRSKSA-N 432.521 0.667 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1792868615 GQVKNUUEDXPMOL-YHQUGGNUSA-N 439.372 0.288 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793699427 OWFAKQUZCNZGQG-CXHZTBPHSA-N 425.869 0.717 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2)c1cccc(B(O)O)c1 1795740503 CIPBMOIRHOBZOD-OPMZPASUSA-N 448.284 0.012 50 20 ICGD COc1ccc(OCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796185663 DRTIHVLNLFZHGI-REPLKXPHSA-N 438.289 0.706 50 20 ICGD CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1Cl 1796190764 JNURNLMWOZMAPD-MUJYYYPQSA-N 444.728 0.881 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc2c(c1)CNC2=O 1797549116 HUQFVVDKRACUKF-AYRXBEOTSA-N 440.269 0.824 50 20 ICGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cl)COC)C3)CC1 1801990613 YCTRJIUIGOQROX-YVSFHVDLSA-N 445.944 0.698 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361020 UUXXCADWADFIGD-YYWHXJBOSA-N 449.272 0.408 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808260871 YYBKPROUTCLXEE-YCPHGPKFSA-N 432.845 0.830 50 20 ICGD O=C(COc1cccnn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980261 SCMZLUZXZLMWAI-UHFFFAOYSA-N 438.293 0.080 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298459 IOLCKSVYIZULED-CRAIPNDOSA-N 448.487 0.447 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@@H]2F)[C@H]1c1cccnc1 1812477043 UCTPSMFEZQICMQ-HUHSQHJXSA-N 426.452 0.758 50 20 ICGD COCCOCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071006 LXTRGHKRJYDXEM-LAUBAEHRSA-N 435.525 0.123 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(=O)C2CC2)n[nH]1 1814808943 RFYFLAQPKCDVKG-HNNXBMFYSA-N 425.449 0.693 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814891995 RRLYVBRUOHOHMT-LLVKDONJSA-N 445.549 0.756 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815356301 BBIAWAUJQQDPHK-AWEZNQCLSA-N 439.306 0.323 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)on1 1817470890 KZZKOINYVNDXMG-GOSISDBHSA-N 437.265 0.935 50 20 ICGD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)n1 1817608846 QTLISMLMDPSZHX-GWCFXTLKSA-N 427.914 0.812 50 20 ICGD Cn1cncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795563 OLIMAYNIDOXHKR-JTQLQIEISA-N 440.489 0.415 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1820160139 FXDLHNGQJZZHRO-ONGXEEELSA-N 439.570 0.505 50 20 ICGD C[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826323025 XWFFFACZBWEWCM-BDAKNGLRSA-N 441.307 0.764 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050959 HVLZBPGMZFVZNH-LJQANCHMSA-N 430.310 0.553 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829855783 KGAGCRIZQPQOCM-QFBILLFUSA-N 429.590 0.209 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829956064 GHCLKAWPMFPSMO-BVGQSLNGSA-N 436.336 0.205 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CCC1=O 1830357980 JJCVRJQBOBVIJX-IBGZPJMESA-N 428.917 0.316 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724131 DEKUNLPNFYIHLY-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732388 XAYBDINDQFROBF-ACJLOTCBSA-N 442.925 0.374 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830962736 RNMBQZZATWNYLF-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1831654365 SWLBWSIXUJQEDV-KDOFPFPSSA-N 434.990 0.334 50 20 ICGD C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799184 PUJRHZPWUNULSU-KRWDZBQOSA-N 427.354 0.764 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837646018 LBIMKCMCISPLRE-QFBILLFUSA-N 439.589 0.222 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838720335 VVZYNKXZCLTTCU-KRWDZBQOSA-N 439.601 0.698 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839142721 XTGWZHWELWEUHL-YWZLYKJASA-N 435.912 0.905 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839146787 WLDLDCUTPIAGHN-XOBRGWDASA-N 449.895 0.177 50 20 ICGD O=C(c1ccc(O)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200690 PKDVTZPCRFIJSM-BBRMVZONSA-N 432.246 0.548 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1839964356 PAHRPWCCCBTHDV-WBMJQRKESA-N 430.303 0.357 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840032021 LJLCTQHOWJWVQE-CXAGYDPISA-N 429.315 0.202 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840153890 FAXBHOVPBGVTBL-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1840154080 KTXGAAXRXXPLOT-LIRRHRJNSA-N 428.917 0.857 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1840155075 PGVBIVNYPCCXDO-BEFAXECRSA-N 430.860 0.855 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840156616 WRXSHNXECHVUEN-YWZLYKJASA-N 444.887 0.915 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1840463975 OVGWFNPZDNGRRC-QGZVFWFLSA-N 429.315 0.204 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563814 LXZZJBFBARPXNR-AUQLDDPISA-N 445.944 0.548 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 10887691 YMYVPBSTSQLOQV-UHFFFAOYSA-N 425.492 0.426 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3OC)cc2S1(=O)=O 731491040 BICFXNOJAIPLTA-UHFFFAOYSA-N 433.442 0.561 50 20 ICGD O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731557341 AQQZPIYUFOYVPR-UHFFFAOYSA-N 430.471 0.723 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 731686629 HFLNRFHLPIQYQX-UHFFFAOYSA-N 426.539 0.467 50 20 ICGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)n[nH]c1C 732045375 JJAAIZBBJOBEPF-UHFFFAOYSA-N 428.423 0.154 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C1CCC1 732141434 QSXOCVFGODUHCU-IVOILVROSA-N 443.547 0.328 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1)S(C)(=O)=O 732236000 MNRNGJGCAOMJRH-UHFFFAOYSA-N 444.477 0.202 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 732594418 AZTLZGWOBCZOJY-CYBMUJFWSA-N 442.432 0.682 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746385640 GSMMTBUAIZJOFO-GOSISDBHSA-N 446.548 0.825 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2nc(Br)cn3ccnc23)C1 750247775 UYLXIXFSYNTJBR-SNVBAGLBSA-N 431.316 0.997 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCn1cccc1 753050762 VCMLEOBPEZQEEE-UHFFFAOYSA-N 449.533 0.472 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 754749913 XMRMZPXUVBAHMR-UHFFFAOYSA-N 435.336 0.736 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 758522390 HDCHXFYDNKTSQY-UHFFFAOYSA-N 440.341 0.498 50 20 ICGD Cc1cn2ccnc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2n1 762139691 COAICFOANSYETA-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccccn3)cc2)CC1 763468310 WYUALPDGQZMLCC-UHFFFAOYSA-N 445.501 0.902 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2c(C)nn(CCOC)c2C)cc1OC 763912463 OTCHBCFYSZGUIO-UHFFFAOYSA-N 433.465 0.953 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1C 764002219 KGPYCTLYWPOJND-UHFFFAOYSA-N 436.266 0.855 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)cc21 764289646 XDLOHJGYFCUKGE-UHFFFAOYSA-N 437.456 0.812 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 764332151 NBPWAKOBLMDQIX-QGZVFWFLSA-N 442.476 0.022 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764380297 UJRHANRLFDYGKK-UHFFFAOYSA-N 449.414 0.944 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(COCCOc2ccccc2)c1 764433440 NMDIEUXOAHFQNV-IBGZPJMESA-N 443.456 0.784 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 764637632 ZVRLLJYKDDFCTI-UHFFFAOYSA-N 439.472 0.743 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cccc(O)c3O)CC2)cc1 764819000 NUESKWHDYAACRL-UHFFFAOYSA-N 432.502 0.863 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)CSc1ccccc1O 765247279 ACAGGDRNGDPNMX-MRXNPFEDSA-N 436.534 0.345 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 766649041 MGWXQWHIJFJDDN-IBGZPJMESA-N 429.565 0.907 50 20 ICGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766655904 YDNDACVDPFTPAU-HNNXBMFYSA-N 426.521 0.746 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 767823262 SWWBZJKZCBPOMM-KDURUIRLSA-N 445.564 0.762 50 20 ICGD CON(C)S(=O)(=O)c1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1Cl 770975307 UNTYDXNHARZREK-UHFFFAOYSA-N 441.857 0.661 50 20 ICGD O=C(CNC(=O)N1CCc2ccccc2C1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772889690 SCWKBQFQEQYPEJ-UHFFFAOYSA-N 443.891 0.872 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NN=c1cc[nH]cc1 780759180 ANYOJKJDLYIBEB-ZGUWOUCSSA-N 438.531 0.340 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cc(C)nc(C)n1 783328997 FEZHJDALSLTFEO-UHFFFAOYSA-N 436.494 0.824 50 20 ICGD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784003543 ZPXJUXGOQLDVHX-UHFFFAOYSA-N 441.282 0.945 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)n[nH]1 787179339 QCTGJUAUCPEXGD-UHFFFAOYSA-N 435.444 0.491 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C)CC(=O)C[C@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 791133339 SBKXHOKQHTYCNT-VMDBXTETSA-N 444.444 0.943 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 792014858 OFHODJDINYOIFR-KRWDZBQOSA-N 434.493 0.917 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368528 CMDBOUHHNFWATJ-UHFFFAOYSA-N 428.401 0.486 50 20 ICGD C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802762543 IPCFSIQFLCVUCY-KRWDZBQOSA-N 438.484 0.872 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NNc1ccc(-n2ccnc2)nn1 805107359 RBGZGEKACMDFDQ-UHFFFAOYSA-N 448.431 0.850 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)c1C 810308412 XNYUBLCYXYFHIS-UHFFFAOYSA-N 436.490 0.369 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cnn[nH]1 810353327 FBFNYKBWNFBHGQ-UHFFFAOYSA-N 426.764 0.216 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1 810386014 JBUMMNFVIBIVJR-UHFFFAOYSA-N 447.448 0.412 50 20 ICGD CC(=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811645797 XPRUMADZIPPEKF-UHFFFAOYSA-N 448.483 0.515 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1=O 817054838 AQKQAQLMTBPYPD-CVEARBPZSA-N 437.566 0.713 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)NC3CC3)cc(C(C)C)nc21 914445747 CVXNOGKAVAGIGX-UHFFFAOYSA-N 430.465 0.316 50 20 ICGD O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919886479 UFGJAIFJNYLHRN-ROUUACIJSA-N 444.513 0.545 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n(C)c1=O 920827463 MLBMLYLVAWHIDG-UHFFFAOYSA-N 444.376 0.231 50 20 ICGD O=C(NCCc1cccs1)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 920832907 NERWAWLDIIMJNY-UHFFFAOYSA-N 444.560 0.924 50 20 ICGD CSc1nc(C)c(CCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(O)n1 1115982955 ZQPLJRCKMJJHFM-UHFFFAOYSA-N 431.522 0.999 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 1323863924 RXTRZVFATALKHR-UHFFFAOYSA-N 439.877 0.795 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 1339189848 IOOAFROWXYRPPP-UHFFFAOYSA-N 432.543 0.453 50 20 ICGD CC1=C(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)CCO1 1777720671 NZVJVFDQAIYVFF-XMSQKQJNSA-N 443.504 0.507 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779053125 BJZMXTOHODRJIB-SUMWQHHRSA-N 426.315 0.892 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779332408 VOAARYYQBDIUHK-IIBYNOLFSA-N 432.525 0.085 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@](C)(Cl)CCl)C4)C3)CC2)CC1 1781234885 RXODUEBZBIOJIV-RTBURBONSA-N 447.407 0.833 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783355607 WEIISEMZYVIVEZ-SJKOYZFVSA-N 443.298 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)OCCO3)CCO2 1783934654 KFDUPWGPRYOWML-JOCHJYFZSA-N 446.504 0.274 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1783936286 LXBQOYLBJDLZMR-FQEVSTJZSA-N 435.550 0.837 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783937820 OWOWYPIZILBYRO-NRFANRHFSA-N 436.484 0.651 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784525313 WOVNNSDOENHQQC-PEDHHIEDSA-N 439.372 0.430 50 20 ICGD Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786919311 YOVKODDOMRAXSU-IHRRRGAJSA-N 438.554 0.000 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312425 JAKAGGLWVNYDNJ-VEABSNGSSA-N 448.269 0.881 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792615370 JPBQKQWMXAASTM-VDYYNOQGSA-N 430.509 0.673 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc(OC)c1C 1792983049 ACSNCCCLWJVDCG-BASYENTBSA-N 426.897 0.815 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115739 VMIVMJJMCAXSOB-XGUBFFRZSA-N 433.933 0.766 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793452241 UGFMUFWXDCUZMX-RGHULWKBSA-N 433.933 0.827 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O 1793977696 INQZGCIAQUKAHQ-JGPRNRPPSA-N 440.394 0.353 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)F 1795164620 XUZCKOQPHRCIPX-QHBPRCKVSA-N 427.360 0.988 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1796443865 OXQUGRSFUUCHPW-CSVBSLGLSA-N 443.529 0.585 50 20 ICGD Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)nc2ccccc21 1796999253 XHDUFFAAJFGQAQ-GNXNZQSNSA-N 439.299 0.940 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C1CCCC1)C2 1797753040 RGBWZQCAYXWSEP-HMAWRFLHSA-N 427.505 0.635 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1800639946 CRGWZZNYHXLOOI-LXTVHRRPSA-N 432.359 0.912 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807364194 SNZVMQXRWRAJJF-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CNCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814962882 MFFOTEWPFXDSRF-LLVKDONJSA-N 431.522 0.367 50 20 ICGD C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350380 TWZNQCFWANDXPA-CQSZACIVSA-N 431.348 0.968 50 20 ICGD Cc1ncncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361144 YVZLYPOTLYEBIF-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CN(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817141934 WSVOVIIAGICGRR-MRXNPFEDSA-N 428.497 0.666 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(=O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817473810 AXTXSINFRUBESD-INIZCTEOSA-N 436.233 0.871 50 20 ICGD Cn1ccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795566 ONDHJGHBOCSXPL-SNVBAGLBSA-N 440.489 0.415 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n(C)n1 1826080504 OQLVZADMGCUNNT-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054925 MZNRUWGUSCJRRZ-RBUKOAKNSA-N 436.745 0.854 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830250703 GFOJUHLGKRZKHB-YLJYHZDGSA-N 444.887 0.651 50 20 ICGD Cc1ccncc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725590 KFNLRSWLUSDBQS-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725886 SLSBKVSCPKHVHV-KBXCAEBGSA-N 433.839 0.689 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736626 VMMTUHYTZUXENO-QRWLVFNGSA-N 438.864 0.808 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831643338 AXJWUONWVSPTOU-AUUYWEPGSA-N 428.917 0.906 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833266332 ZQEHZPJRJLNFBN-ZDUSSCGKSA-N 428.327 0.677 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1)[C@H](O)CCl 1833312256 KDBCQKARBPEMFD-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833522553 TUHXOCUORVVGNM-ABAIWWIYSA-N 435.338 0.760 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176590 MTYCZOPNZGENDT-RHSMWYFYSA-N 429.315 0.664 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3)CC2)CC1)c1ccc(B(O)O)cc1 1834800661 WGCJKNMMLHGNML-HXUWFJFHSA-N 445.394 0.447 50 20 ICGD CO/C=C(\C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1835663644 JDNIORJSUSTWNA-CCEZHUSRSA-N 444.536 0.421 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)s1 1835847692 NZGMVODLTBYNRB-YGRLFVJLSA-N 437.291 0.486 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836448291 XSJOFJFRMHVPIB-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1837519137 QSRYPDBBPRHVFM-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530582 NZUUFWSDOFYXKQ-FQSWUABASA-N 447.916 0.226 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1837983584 DAICYKJJRFZSDV-LJQANCHMSA-N 445.520 0.476 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198949 PIXPBVFYQMMQMR-ZBFHGGJFSA-N 438.294 0.002 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839201086 VWZGMTZEINBPPS-PBHICJAKSA-N 447.305 0.743 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135452 SMYIWYZNXFDQBF-BLIXFSHQSA-N 438.908 0.436 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)CC(=O)N3)C1 1844005472 HCVRQCOCRTZFBD-UHFFFAOYSA-N 434.456 0.311 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847549910 LXQXZLOMUJDPDF-RKOGWWSCSA-N 442.321 0.551 50 20 ICGD CN(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 726547124 SOVXTEZIMZGSAN-QGZVFWFLSA-N 425.532 0.936 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4cncn4)nc3)cc2)CC1 728213718 HVMVDTMXQOLIAH-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CSC[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731326413 HAQFXZZTBCVXAZ-CQSZACIVSA-N 429.564 0.787 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1 731873851 AERXPCMEBDJCIR-ABAIWWIYSA-N 430.373 0.780 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 732053084 ZUDRTBAZQRVWPU-MRXNPFEDSA-N 428.493 0.117 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1OC 732238061 QTKUWCYFNIYHHJ-AWEZNQCLSA-N 444.510 0.136 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 733163314 JDCGBNMGOQBYMZ-LUYJPIOASA-N 438.488 0.934 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCn1nc(O)c2ccccc2c1=O 734241608 IVISEZODAAHCMH-UHFFFAOYSA-N 434.453 0.347 50 20 ICGD COC[C@H](C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737064983 MEIIHKFZAPBWFH-OAHLLOKOSA-N 442.538 0.253 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 740749026 HZBWKTALSJLDNO-QGZVFWFLSA-N 426.539 0.491 50 20 ICGD COCCn1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)ccc1=O 744621303 OKBKODBEAOKTSN-UHFFFAOYSA-N 436.490 0.273 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745832394 OUMQAOBCGPALKU-CQSZACIVSA-N 443.464 0.850 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1C 745976572 GUBWRRBFPRRECQ-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 745992772 KCVUMEJWTKBROB-UHFFFAOYSA-N 432.886 0.048 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2c(Cl)cccc2Cl)c[nH]1 746210162 KBARPXOISMSBSK-UHFFFAOYSA-N 434.261 0.160 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C[C@H](C)O1 746678326 PTMPFDVQKBFWBT-HOTGVXAUSA-N 434.541 0.592 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc(C#N)cc1 748116701 DFRMAYSCDSYTAN-KRWDZBQOSA-N 436.515 0.783 50 20 ICGD CC[C@@H](C)OCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 751561019 HJZFNCJNVRZHRH-OAHLLOKOSA-N 427.523 0.603 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)NC1CCCC1 752299400 NCXULOBSBTYLRB-UHFFFAOYSA-N 448.501 1.000 50 20 ICGD O=C(NNC(=S)NCCc1cccs1)C1CCN(c2ccc3nnnn3n2)CC1 753016531 QQJIOPXPDQYENQ-UHFFFAOYSA-N 431.551 0.535 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1I 758036537 SDOQGTBWYPJSFF-MRVPVSSYSA-N 425.248 0.298 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccn1 758841619 QDRZZRNLZLZVIG-JTQLQIEISA-N 432.418 0.442 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 762862251 UJKFTELBEWZBEO-CQSZACIVSA-N 440.460 0.581 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1c(C)nc2ccccn12 763628600 BTPJYKLXIXIOLM-UHFFFAOYSA-N 425.401 0.838 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763675441 WLEYVOFPUCGQBA-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1F 764169489 WIVFJJBDWZELMZ-AWEZNQCLSA-N 439.396 0.458 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1NS(C)(=O)=O 764192884 MGMJJDLXFXRWCA-UHFFFAOYSA-N 434.474 0.785 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 764225573 AKDONNLPZUAGBP-LLVKDONJSA-N 440.478 0.142 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(OCC(=O)N(C)C)c1 764276776 BHAOWPOMZHKGAY-UHFFFAOYSA-N 444.444 0.333 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764280540 CUWNZDPWSZCVPE-OAHLLOKOSA-N 438.440 0.316 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cn2)C[C@@H](C)O1 764367436 WQDXSNGHHPALPE-HZPDHXFCSA-N 441.488 0.998 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 764433035 LBPQPNFWXVHMIG-NOVUIFNWSA-N 431.470 0.496 50 20 ICGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CS2 766644350 UYBHBQQXYGCCNC-IIBYNOLFSA-N 445.545 0.046 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 767098487 KLWSFGHBXZXNFZ-LBPRGKRZSA-N 432.930 0.601 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)sn3)CC2)cc1 768073008 SQTXGALNJKCGGO-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 770240312 OONUQENUTDZUEA-ZDUSSCGKSA-N 436.650 0.945 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)nc21 770955769 ORKUUABKOUFHAP-NUZBWSBOSA-N 425.449 0.537 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 771848896 UYZFOVJRAKCNMX-CQSZACIVSA-N 425.507 0.893 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1 772630456 KCAMJPCVWSOPKT-UHFFFAOYSA-N 442.519 0.753 50 20 ICGD C[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 772883596 DNAQHIJIBBOKDP-NSHDSACASA-N 431.898 0.086 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 773264900 NJVKPAYAWJPMNG-JTQLQIEISA-N 433.895 0.764 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061495 JQSGRPAGUAANNQ-UHFFFAOYSA-N 449.489 0.472 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNc3cccc(S(C)(=O)=O)c3)cc2)NC(=O)NC1=O 776619013 ILDDFAXBFVTZLB-LJQANCHMSA-N 431.474 0.971 50 20 ICGD O=C(COC(=O)c1cc(OCC(F)F)ccn1)NNC(=O)[C@@H]1COc2ccccc2O1 778184495 VLAADDUHUKCSJQ-HNNXBMFYSA-N 437.355 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)[C@H](C)O)cc1 779515317 QEVHJGXLERXPOE-MGPUTAFESA-N 444.513 0.825 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2NC1=O 782892433 ABKUJGVQPUCMPK-LLVKDONJSA-N 436.428 0.621 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 787897882 DNVQGLBNCSIWKA-DIFFPNOSSA-N 433.914 0.890 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnnn1C1CC1 790724275 GPXGCXAKMHWIOQ-LBPRGKRZSA-N 448.509 0.498 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COCc1ccccc1 792190595 MKTICFKIWBKQRZ-SFHVURJKSA-N 427.379 0.982 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ccc3c(=O)[nH]ccc3c1)CC2 793069349 BAPOTXYOJNGQIE-UHFFFAOYSA-N 441.469 0.469 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1 794598652 LHLJOLSGJLRTMZ-UHFFFAOYSA-N 425.419 0.692 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799259099 OIHFOMTUGJPTOX-UHFFFAOYSA-N 426.271 0.567 50 20 ICGD O=C(COC(=O)[C@H]1COCCN1CC(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 801350400 VKNZWRTZQRRWHA-GFCCVEGCSA-N 434.327 0.162 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 805769965 ZUNMRRWKXSCXQH-CYBMUJFWSA-N 440.444 0.781 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c(C)c1 810006653 NOIXTEHICHTQGN-UHFFFAOYSA-N 430.490 0.718 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 810945163 ZXRSXGIONMIANK-IBGZPJMESA-N 430.502 0.932 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 811835990 YZLBKMPTFSVTRA-UHFFFAOYSA-N 449.485 0.538 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)c1cccc(S(=O)(=O)N2CCCC2)c1 811881840 FWISPOOEPINLND-GOSISDBHSA-N 438.531 0.298 50 20 ICGD O=C(COc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1)Nc1cccnc1 815778282 KEAZKDBGGOHHQE-MRXNPFEDSA-N 427.417 0.364 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2c(=O)n(C)c3ccccc32)n1 828791201 QUTUGBOECUDTSZ-UHFFFAOYSA-N 431.474 0.428 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)OC 915310866 COWXGTZPXPNYQI-UHFFFAOYSA-N 429.499 0.946 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 915597201 UNEYDFPRTIFWIS-JTQLQIEISA-N 443.428 0.778 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 916133146 VJALYVOSNTYUKY-UHFFFAOYSA-N 430.490 0.462 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2cn3ccccc3n2)c1 916245825 DBSWCXLGCDAIBM-UHFFFAOYSA-N 430.490 0.771 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C(C)(C)C#N)N(S(C)(=O)=O)CC2 918319246 MJNVEEPYSXCOOW-AWEZNQCLSA-N 438.506 0.650 50 20 ICGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)cc2S1(=O)=O 919583870 UWBHLHAAQWNJAY-UHFFFAOYSA-N 437.455 0.531 50 20 ICGD O=C1CCC(=O)N(c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)N1 920288079 MVALYXCXCUWODR-UHFFFAOYSA-N 444.473 0.213 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)NNC(=O)CCO)c1 1116610036 NWQHJXDKPOGJPR-UHFFFAOYSA-N 427.527 0.852 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cncn2-c2ccccc2)C1=O 1340109189 IOPCMQUPMSTNEE-XCLFUZPHSA-N 425.449 0.537 50 20 ICGD O=C(c1nc2ncccn2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777831062 ZIZWXBHJEQNECK-BONVTDFDSA-N 427.234 0.258 50 20 ICGD CCc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)co1 1779822208 VBHASZGLOWLHEP-XMSQKQJNSA-N 441.293 0.358 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1780369960 CFSNYCKLNFEDLC-NRFANRHFSA-N 427.266 0.235 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCSCC1)C2 1782166696 HUSDBQMKJAVGQG-GPMSIDNRSA-N 434.002 0.803 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@]1(F)Cl 1782291745 SDRNDYZGPMTHJI-XNFNUYLZSA-N 438.692 0.418 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c12 1782472839 UZZINNLRMRCWCP-QHCPKHFHSA-N 448.288 0.308 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1782483943 DGTNDARJGRHROD-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783116367 MYZYOVXCPQXENU-BXTJHSDWSA-N 440.928 0.789 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783116368 MYZYOVXCPQXENU-STXHMFSFSA-N 440.928 0.789 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1783867909 CIXPPWHKBJUOOR-IQUTYRLHSA-N 433.933 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3c(Br)cnn3C)CCO2)C1 1783874046 BWWDWBAADRCSHX-MLGOLLRUSA-N 449.733 0.880 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1783880380 DRLMUIWVQDRXPL-DJPFJPOOSA-N 434.924 0.836 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787472440 CPCXTBYYGOSAKV-QAETUUGQSA-N 439.354 0.716 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788547549 HQJWAPGYLAQGCH-BSZJXLGXSA-N 437.924 0.829 50 20 ICGD CCc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288573 GGTVXQKEBKCJGN-IEZWGBDMSA-N 431.537 0.610 50 20 ICGD O=C(/C=C/c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795753850 NZDFBYIIFNJKMC-XMYGOJHDSA-N 426.303 0.345 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614554 SOBUKMABWBPEIY-GXDRMJSYSA-N 428.327 0.584 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1)[C@@H](O)CCl 1799309621 NRXOBHYSXLAWDZ-ATGSNQNLSA-N 435.868 0.530 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801866625 CNCRCGCYDYIBLA-GGNLRSJOSA-N 435.839 0.854 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1802272795 GJSAAJRBQISENX-AIUMHDJVSA-N 438.912 0.885 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804346219 ITOLHJBRMGHZTQ-RVKKMQEKSA-N 447.568 0.537 50 20 ICGD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1F 1805122611 OIUHARACHCEDAA-MGPUTAFESA-N 445.499 0.945 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813033142 IQGJKNCOTZETBB-ZRGWGRIASA-N 434.880 0.266 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CC2)c1cccc(B(O)O)c1 1815359771 DGINNXSHQBKUET-KFZJALRRSA-N 441.343 0.924 50 20 ICGD CN1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815360874 PYYLLBJSAJDMGY-GOEBONIOSA-N 442.350 0.391 50 20 ICGD CCO/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800921 DLSAODITKUIAFQ-IOCXFXADSA-N 430.490 0.918 50 20 ICGD O=C1OCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824332737 XHTFVMYZRYSPDX-LJQANCHMSA-N 443.309 0.052 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825641700 MEAXXIFSSWIZGH-YHAQOWFVSA-N 447.355 0.489 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829782532 YOILHKGZIQKCAT-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724628 ADOBWNLAAYBBCF-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD O=C(CCc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737155 DGVDJTORIHXGJX-FXAWDEMLSA-N 428.888 0.814 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831644081 NOFVAWGLUXYCNJ-FOIQADDNSA-N 438.912 0.658 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833169339 NUZARVLBNWEOOY-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1833508757 TYHLCQXUTJPFHB-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nccs3)CC2)CC1)c1ccc(B(O)O)cc1 1834798090 ZFQHXFFGERFFQM-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CNc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1835611151 QTGQLKSVMLVAPX-QFIPXVFZSA-N 447.536 0.171 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835990762 BUAWMMPYIFTZMG-KSSFIOAISA-N 443.342 0.593 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1840153062 BNJMZLIFFDYXFU-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840186734 NSBMRNCOIITDAB-SFHVURJKSA-N 445.303 0.072 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)C(=O)OC(C)(C)C 1842767031 MPQKUWLOKHQEJO-UHFFFAOYSA-N 446.508 0.369 50 20 ICGD O=C(c1scnc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013453 MZVNDNXUPICPIV-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD CN1CCN([C@@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)c2cccs2)CC1 726086461 QDFSZNSODYDLAT-AWEZNQCLSA-N 434.522 0.390 50 20 ICGD O=C(NCCn1cncn1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 726708632 FJCUWHQJCUYTFE-UHFFFAOYSA-N 443.489 0.401 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3c(F)cccc3F)CC2)n1 727831750 NAXYATWQKZTDAV-UHFFFAOYSA-N 437.472 0.878 50 20 ICGD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274004 FQODQUSHCZIANE-NSHDSACASA-N 427.914 0.770 50 20 ICGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)c1cnn[nH]1 729457489 ODKNBEYSQVQSOM-GOSISDBHSA-N 433.428 0.079 50 20 ICGD O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)c1csc(N2CCOCC2)n1 729623003 DVJZZWACGNOVBP-UHFFFAOYSA-N 438.554 0.569 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1cccc(C(F)(F)F)c1 730027996 GHDQDHTUXMSQLF-UHFFFAOYSA-N 441.410 0.826 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(C)c1=O 730569292 SUGUEZFNBJIYMF-UHFFFAOYSA-N 444.429 0.890 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H](C)O1 732261887 OWGRLOVHZBJJBK-BETUJISGSA-N 432.568 0.100 50 20 ICGD O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)C1 735919165 BYOZUDWAYSHQJR-DLBZAZTESA-N 436.983 0.634 50 20 ICGD CCc1cc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc(-c2ccccn2)n1 738537934 COLJVMSITQCTRK-ZFWWWQNUSA-N 444.517 0.580 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 745107069 HGFWHFCNVHQVCE-QGZVFWFLSA-N 434.408 0.381 50 20 ICGD CO[C@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 750059465 ICSMMTMOLGPPKA-OAHLLOKOSA-N 441.492 0.618 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)CNC(=O)c1cccs1 751209262 NFCLZECHWDCGFV-UHFFFAOYSA-N 449.514 0.220 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755847853 YISLACPQOBPCTN-JTQLQIEISA-N 430.396 0.392 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)C1=O 755989905 CIIZUZKQGZNMIK-UHFFFAOYSA-N 435.404 0.527 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)Cc3ccncc3)cc2)CC1 756358530 JIUUXGRBTGAHQH-UHFFFAOYSA-N 439.520 0.687 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3ncn(CC(=O)N(C)C)n3)n[nH]2)cc1C 756769270 DKRAGBJXXLCKOI-UHFFFAOYSA-N 425.453 0.840 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1cnn(CC(=O)N2CCOCC2)c1 756836914 ZAFKSVIZLFSRLH-UHFFFAOYSA-N 440.258 0.299 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 758749298 ABCIITYBWSOZQI-ZFWWWQNUSA-N 427.465 0.966 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 758861461 FEPNIVNUISGPFA-UHFFFAOYSA-N 440.551 0.895 50 20 ICGD CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 763358535 VADYVPAZVCOZHF-UHFFFAOYSA-N 442.476 0.576 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763422441 CSOCMFRVEFELAK-ZDUSSCGKSA-N 434.474 0.400 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 763439276 KLEDWAAYHWFXNY-UHFFFAOYSA-N 425.471 0.277 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c1 763456096 VYUOCSHWCNCAAD-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD Cc1cn2cc(NC(=O)C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccc2n1 763530180 FFVKOLOPNBYGTM-UHFFFAOYSA-N 449.515 0.941 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 763649896 LLKHMEGDPIRMKS-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763674260 OBALYDUCAKQPFB-OAHLLOKOSA-N 437.456 0.948 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1C 763857270 LXOTWEHONARISU-UHFFFAOYSA-N 443.485 0.713 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)cc2C1 763948364 JLMNVZNDMMNJDN-NSHDSACASA-N 444.517 0.748 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1)NC1CC1 763967839 IXIKKPNIPASINM-UHFFFAOYSA-N 444.517 0.892 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c(O)c1 764111707 PJJDJHXKGBAVBK-UHFFFAOYSA-N 440.456 0.881 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 764265921 HJEQGQURIUMIBV-UHFFFAOYSA-N 440.460 0.574 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc2c(c1)COC2 765118143 JUPFMYUFNKAMNH-UHFFFAOYSA-N 444.513 0.484 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@]34CCC(=O)N3CCS4)CC2)cc1 766642469 IOXVFUVTEJHMSR-OAQYLSRUSA-N 431.562 0.326 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)ccc1Br)N[C@@H]1CCS(=O)(=O)C1 771901660 GYUUDPVVKGCYMM-MRVPVSSYSA-N 430.277 0.268 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 775221182 FVZIFLCTTPGXTF-UHFFFAOYSA-N 436.490 0.951 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 775334648 QALJJFWIMXFMOV-CQSZACIVSA-N 429.502 0.920 50 20 ICGD Cn1c(CC(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)nc2ccccc21 784293186 BYQVJPGRZCWRHM-HOTGVXAUSA-N 425.489 0.704 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 785059806 BDAKYVSWDIWZOL-UHFFFAOYSA-N 436.350 0.999 50 20 ICGD O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)c1cccc(S(=O)(=O)N2CCOCC2)c1 788727179 RPDYBHFFCBZCOI-KRWDZBQOSA-N 446.485 0.488 50 20 ICGD CCOC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 788878009 RJQXQQJSJUFGQS-QGZVFWFLSA-N 442.538 0.713 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)C2)c1 792628330 GYUWTKUKRRXZKL-NJSLBKSFSA-N 434.493 0.844 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)=NO1 798829203 BOPBGQQAXPSGAG-SNVBAGLBSA-N 430.421 0.766 50 20 ICGD C[C@@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 802067264 AORNYCBDPCELFH-TUKIKUTGSA-N 436.490 0.807 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2nccnc2C2CCC2)c1 805473451 UZHRJLIKHOWZPH-UHFFFAOYSA-N 432.506 0.985 50 20 ICGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Br 806735431 ZRZKXEASJXMXJY-QMMMGPOBSA-N 433.284 0.396 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)c3ccc(F)cc3Br)ccnc1-2 806976129 FRXHONMZMBFIGF-UHFFFAOYSA-N 435.213 0.643 50 20 ICGD O=C(CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)NCCN1CCCCCC1 814422003 OWZZDRONRDAMFD-UHFFFAOYSA-N 443.508 0.514 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751552 DTJAGGFXSLHADE-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 849207298 ATXKUDHGXQMFLZ-CYBMUJFWSA-N 430.373 0.541 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCCCC2)cc1 913451499 ZPSULTIKWAXPCA-UHFFFAOYSA-N 425.511 0.929 50 20 ICGD Cc1nn(-c2ccccc2)c2ncc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 919886957 WKXFERIMUSAVCN-CQSZACIVSA-N 428.474 0.860 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1 920643270 TUGRHXHXUHBHEL-UHFFFAOYSA-N 430.442 0.664 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)c1cc(O)nc(O)n1 1778016296 GGKLUWGHADROKG-SJKOYZFVSA-N 443.298 0.800 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1779028234 HUIFSMSJIULYSR-OAQYLSRUSA-N 427.461 0.354 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1779032343 NSAJQIWWWGNPLB-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371272 LCINNNMOCARRLC-IIBYNOLFSA-N 428.493 0.362 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780543041 FFDUJDFNIZGFSA-QHCPKHFHSA-N 438.289 0.522 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1)C(=O)O 1780771214 HKMUYEUFHPWILE-LRQBHLAOSA-N 438.294 0.254 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1781786573 DMYHBUVGTRCOFZ-HSZRJFAPSA-N 433.273 0.190 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@@]2(F)Cl)C1 1782296060 QOBSVFDAYNSQEI-RAKLQZGLSA-N 432.924 0.798 50 20 ICGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1)NC(=O)NCc1ccccc1 1782936984 KTHQYIWJGYVWED-NPPFBWRTSA-N 447.511 0.521 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]cc3c1)CCO2 1783933884 KTSXEUXHICLSHN-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1792870968 NUAWYTJQZVGOAU-GUIRCDHDSA-N 439.310 0.641 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975711 XEQYMDVKNQWMBB-AICCOOGYSA-N 431.917 0.185 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793372448 YCOIIKMFKSMUMC-RKQHYHRCSA-N 439.372 0.430 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1795117050 KDMNNOYULLEKSI-JRATXPSKSA-N 425.327 0.889 50 20 ICGD Cc1cc(F)cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736773 JRNISMDKFRIZCR-OPMZPASUSA-N 440.280 0.260 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307114 GFQUGZVSLQZIAY-QFCKPIOYSA-N 445.383 0.776 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2)[C@H](F)Cl 1796364286 BIOPVPVXEIBMLH-DJBIQUGXSA-N 448.842 0.308 50 20 ICGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Cl)C4)cnc2s1 1797063100 ZHTHQTPGHALQJE-LYIQGSDWSA-N 428.873 0.802 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655168 CKOJPYNQCJDCKA-SZRLZVLASA-N 435.226 0.918 50 20 ICGD Cc1nnc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)s1 1798439303 VSDFFVMBXSCVRN-CLLJXQQHSA-N 429.506 0.340 50 20 ICGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)c1OC 1798771333 ZXGRQJPEJKESMX-KVQFHVITSA-N 446.273 0.993 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)N(C)C)C2)NC(=O)NCc1ccccc1 1799864652 BVCKIOSYNFLBFH-BCDXTJNWSA-N 444.536 0.059 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1800334139 BTNCOZABCAXFBS-DMQFUELUSA-N 444.438 0.597 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1800639484 ZOIVZZGRMMAADG-OXIQGZBJSA-N 427.299 0.862 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccc(O)cc1 1801012448 GOSWGQUNLCHRSX-RACNMONISA-N 432.521 0.458 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339648 DTSKZTVCNPGELQ-ADHGMGHFSA-N 434.537 0.753 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802998375 CDLXPHRCOYPRFE-MUJYYYPQSA-N 439.520 0.530 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807029402 RZRZPIAYSPGKCS-YCPHGPKFSA-N 448.844 0.066 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1807290118 VCKXPJDSNNLHMV-AUUYWEPGSA-N 429.481 0.203 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1813074667 VAFQYIBUKZSGAJ-IFXJQAMLSA-N 430.465 0.468 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817287797 LOTSPARIKOUIFS-HNNXBMFYSA-N 438.253 0.588 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)nn1C 1817470404 ALMLYLRLGOXXPE-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc[n+]([O-])cc1 1820030654 UNOWSXXYWFQAFU-GOSISDBHSA-N 435.249 0.343 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc[nH]n2)n[nH]1 1821742392 HWKVZURPADLABJ-INIZCTEOSA-N 437.464 0.680 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN)CC2)NC(=O)NCc1ccccc1 1822517887 AWVSIRVDPQLLQL-CQSZACIVSA-N 445.549 0.360 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825928547 OZOADNNYSFXHAQ-XHDPSFHLSA-N 429.307 0.664 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827309586 QLJQRFDKNPVIPJ-SFHVURJKSA-N 425.298 0.340 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829362966 GZSAIJZYUXJADZ-QGZVFWFLSA-N 427.266 0.607 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832209328 XJSGOOJGJSCXDW-SFHVURJKSA-N 442.303 0.691 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310724 QKHAMZPYEYHVRK-DLBZAZTESA-N 444.001 0.184 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833468712 VYMDJDXFTJYLBU-IBGZPJMESA-N 427.885 0.421 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834695853 XVTKEYIEZRUAQP-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819023 GPDAETFSQLAZOF-GOSISDBHSA-N 449.342 0.960 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834823418 UADNWHZISJRKHW-QGZVFWFLSA-N 429.315 0.502 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1 1835642792 RQMAVDJWYIQUED-QGZVFWFLSA-N 446.976 0.888 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1835930751 YHOJCRTYGPAYRF-OAQYLSRUSA-N 448.300 0.109 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836440544 FVCWXWOFHNKEDO-UZLBHIALSA-N 436.896 0.838 50 20 ICGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837458789 BYPAFJVTWRSVEL-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc2c[nH]nc12 1839509967 PLCUSJVGPKIFIL-OXJNMPFZSA-N 436.896 0.541 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840151444 BJEXFMBMOXKBPV-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840153413 OBPLRSKKNCQGEZ-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1)n1cnnn1 1841925298 IURBQJUDIBNDBE-OLZOCXBDSA-N 441.920 0.570 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 731120008 ZLADARXNPDUUPZ-AWEZNQCLSA-N 433.490 0.808 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1c[nH]nc1C 731852583 BMRPFRGCLFFNIH-CYBMUJFWSA-N 429.499 0.718 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 735118790 YQGFUMVBIQZTEI-AWEZNQCLSA-N 438.554 0.108 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 735584748 YRXMBKUSZYNGTN-DYVFJYSZSA-N 430.465 0.722 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2ccccc2c1=O 741093176 NXNLHAYFTDNWIS-CHWSQXEVSA-N 435.506 0.716 50 20 ICGD Cc1c(-n2nnnc2SCC(=O)NNC(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 742452544 XJHCFPDRPYCPGM-UHFFFAOYSA-N 444.521 0.746 50 20 ICGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745863889 JQHNFJBKOOAFMB-CQSZACIVSA-N 428.511 0.467 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 748593339 HPVLWQHHUGHXQR-OAHLLOKOSA-N 439.538 0.334 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cc3ccccc3o2)c1 749543872 FLLRDUPSOZKKHX-UHFFFAOYSA-N 444.469 0.874 50 20 ICGD CC[C@H](C)OCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 752127024 HNUPTWVBGIDAFL-INIZCTEOSA-N 426.539 0.264 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1C 755514443 HODYSVWHVGSAEK-UHFFFAOYSA-N 430.450 0.345 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 757766031 YBYRSBYOFRWEPE-NSHDSACASA-N 438.466 0.058 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 757872235 WPPFYFUBQBCSBL-MNOVXSKESA-N 440.469 0.396 50 20 ICGD Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc3)cn2c1 758035960 OTIZQJXZTHXSHZ-CQSZACIVSA-N 445.501 0.920 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 763550594 GQGLWZOXJNYXNK-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 763647449 NJBDZMSSDNQBQP-UHFFFAOYSA-N 434.474 0.424 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CSc2ccccc2O)cn1C 764048366 YEQVAGLWMWAZAZ-UHFFFAOYSA-N 427.508 0.042 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 764133680 YYMHAGHSRWECOU-UHFFFAOYSA-N 442.472 0.799 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 764344545 YUVUZCDMUPNKNB-KRWDZBQOSA-N 445.501 0.202 50 20 ICGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766651243 LWXVJJMHPFNHFA-IBGZPJMESA-N 443.548 0.631 50 20 ICGD Cc1c(Br)cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(=O)n1C 768936581 VAJGRKWVWJVKPY-UHFFFAOYSA-N 447.245 0.946 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1 771932465 OZJQXDISFAVJHA-GFCCVEGCSA-N 442.494 0.049 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 775337480 HLRPRHRGPZHGGU-CYBMUJFWSA-N 449.489 0.957 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)CO)nc2cc(S(=O)(=O)N3CCCC3)ccc21 777782854 SCSNBKGEYCQGPK-UHFFFAOYSA-N 437.522 0.303 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 780315737 XAFVHIZSVKXMJJ-IBGZPJMESA-N 429.565 0.989 50 20 ICGD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783427929 QVZVBEGTUXRGQE-XOBRGWDASA-N 436.534 0.838 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 784001800 DKVWHGVMZXRPPX-UHFFFAOYSA-N 431.380 0.061 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cccc(C(=O)OC)c1)CC2 784852730 NNSPLYGWBPFCLB-UHFFFAOYSA-N 432.458 0.414 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787544820 YGOOBKJEMCFTLV-CYBMUJFWSA-N 432.456 0.842 50 20 ICGD COC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 789334948 OTCVMHZMPPAWAY-HOTGVXAUSA-N 428.511 0.140 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccn(CC(F)F)n3)cc2)CC1 790000953 OBKCMCMVQNXDMB-UHFFFAOYSA-N 428.465 0.841 50 20 ICGD Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1C 792281364 WGNQGRCBHSVCAK-UHFFFAOYSA-N 432.868 0.851 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O)cc1 792538172 APJOVLWUKGDIOR-LRDDRELGSA-N 436.446 0.392 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc21 800622780 OVEKUYANAYODNE-UHFFFAOYSA-N 430.509 0.999 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1csc(N2CCOCC2)n1 800983780 UJOOAXVIKPWMMM-OAHLLOKOSA-N 438.554 0.378 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 801106505 WBMGLJDKNVHBJB-ZDUSSCGKSA-N 443.485 0.598 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 802065853 KFSQBMRKGOVYDO-CQSZACIVSA-N 444.469 0.762 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cccc(F)n3)ccc2F)CC1 804772530 LDKBDIUUODITMT-UHFFFAOYSA-N 439.444 0.970 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@@H](C)O)cc1 804954861 IUKWVDVZMBAUDY-DYVFJYSZSA-N 431.478 0.142 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)ccc1F 806973148 BGCUWFDTSAILRQ-UHFFFAOYSA-N 448.436 0.090 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3ccccc3n2)cc1OC 810518117 ZXIOOYTYRQZIRN-UHFFFAOYSA-N 433.446 0.774 50 20 ICGD COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)N1CCOCC1 811683909 LNBCWMGNPVUDEL-UHFFFAOYSA-N 436.284 0.400 50 20 ICGD O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)NNC(=O)C(=O)NC1CC1 812478561 PNGJJTNSLRAXNE-UHFFFAOYSA-N 426.355 0.950 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 813453974 RQULAZQALHAWCE-UHFFFAOYSA-N 434.497 0.190 50 20 ICGD O=C(NNc1ncncc1F)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 815765079 FHGFYMIFXXZGGE-UHFFFAOYSA-N 448.480 0.823 50 20 ICGD COc1ccc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C(F)(F)F)c1 816703800 UBEHRIMLXZLPAS-UHFFFAOYSA-N 426.355 0.604 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn3c2OCCC3)c2ccccc2c1=O 821128081 QOWYMMWNOUSHTB-UHFFFAOYSA-N 432.462 0.409 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 825649533 WECVOSKMXRYFOU-UHFFFAOYSA-N 444.492 0.528 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 856532085 STEXFTUCVXLIDF-SFHVURJKSA-N 439.516 0.988 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 913459300 MPWCMJTUWFENLB-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2cn3c(n2)CCCC3)cc1 916578819 XDWHBMUBIHIORK-UHFFFAOYSA-N 448.549 0.721 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1318201963 KZYHXXSBLKQKRM-UHFFFAOYSA-N 435.506 0.599 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCO[C@@]2(CCSC2)C1 1324058883 CZLIOSDVUQENHD-SJCJKPOMSA-N 427.552 0.978 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C3)CC1 1778847923 HYYOFSSZMSXTNP-WIYYLYMNSA-N 440.661 0.599 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779243918 ABIZLFMZLXIBCP-VEVIJQCQSA-N 428.921 0.087 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CCC1=O 1780770899 IQLASKMJNJITGY-HACGYAERSA-N 447.305 0.799 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)nc1)C2 1782215263 ZPJVHGRMWMWANZ-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1782312785 ZDLAFHKSJZSUFP-QHCPKHFHSA-N 442.516 0.632 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783924605 TXEQCTFNSWFONZ-DQYPLSBCSA-N 435.315 0.463 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784617291 CVOLMDZAZNLZQC-ATIWLJMLSA-N 446.928 0.868 50 20 ICGD O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925978 ZIFUXBSPPGXPLQ-AVWBDOJWSA-N 427.292 0.474 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F 1790027402 VAPGHBMXBFCYAH-CEFQPYBMSA-N 429.832 0.927 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)C1 1791237040 GOVZNXJNYHCJHU-DBWAAGBOSA-N 430.929 0.545 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1)C2)c1ccc(B(O)O)cc1 1795734971 CTDDGNOZHBRYKG-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(-n2cnnc2)cc1 1796191226 NEZMLYODBIJKKG-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797956829 FMBNJHBCIJPHDA-ZGCCGWFYSA-N 427.574 0.957 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)F)C2)NC(=O)NCc1ccccc1 1799095175 XLNVKBPQFCBGGJ-IZZQQSIFSA-N 449.527 0.670 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799687465 LEWWXMIIQAKKPN-NRYXJOBSSA-N 439.896 0.600 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCCC1=O 1802161303 PYEQNZDHHRXDQR-GSWMANSFSA-N 442.520 0.771 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802241235 XBMGBAXRAAHCJE-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ccc(F)cn3n1)C2 1802337938 FMAKWNBLOWJDTN-QDMKHBRRSA-N 431.472 0.493 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805810836 IEPMWBKTTHXAQF-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807029401 RZRZPIAYSPGKCS-OFQRWUPVSA-N 448.844 0.066 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1808234247 RDYPNGLLRPQJKN-YHUYYLMFSA-N 425.917 0.788 50 20 ICGD N[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)c1ccccn1 1809976592 JAYGCNJWCICEPQ-HXUWFJFHSA-N 436.321 0.306 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810156485 POVHVAQZBOJOAW-HZHRSRAPSA-N 441.496 0.038 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1810306172 VEJVJCPBMCFWBF-HUHSQHJXSA-N 426.452 0.758 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308674 MMBWDEHBPCMQLW-JXFKEZNVSA-N 440.504 0.826 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)o1 1813071048 MIJKSIBIWIURLO-IERDGZPVSA-N 443.508 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1 1813071744 WWVJHDMHOMBQOM-KBXCAEBGSA-N 431.522 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1 1813074466 SDWQPTZVCFZYKW-JPDLMGPVSA-N 429.521 0.353 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074882 XGVRISVFGUCLHX-AVRDEDQJSA-N 432.569 0.801 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815103353 NYXKCDOBJUIDKM-SUMWQHHRSA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCOC1)CC2)c1ccc(B(O)O)cc1 1815347584 FPENWNMFVXPMAM-UKRRQHHQSA-N 429.307 0.475 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCBr)n[nH]2)C(=O)N1 1816782166 PUKACVBUGODKOG-NSHDSACASA-N 441.286 0.739 50 20 ICGD CC(C)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817443256 XFMPAEMDTLRDND-GOSISDBHSA-N 427.314 0.784 50 20 ICGD O=C(Cn1ccccc1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817515607 BWCXYGHHIXRNLZ-SFHVURJKSA-N 449.276 0.257 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)NC=O)n[nH]1 1820874271 AUMDEXQDWZTEAA-CKOWOVDISA-N 442.480 0.670 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnn1 1826089653 JZFCCHUEWVNJAM-VXGBXAGGSA-N 434.526 0.281 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830903561 MLLCEBWMIMLAOV-LTSLTLJYSA-N 443.840 0.257 50 20 ICGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)nc2s1 1832104120 INWGUVBCPKSGDS-YOEHRIQHSA-N 445.904 0.633 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1 1835737034 SJUNFMHOFJBYNK-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD CC[C@@H](Br)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836541767 DJTCTYUUWLFVIO-OAHLLOKOSA-N 442.362 0.418 50 20 ICGD COCC1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1836854638 DEEQLGHONAOGRX-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839147384 OOKDQXZFKOOTLY-KSMMKXTCSA-N 449.932 0.303 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201108 RSDBYCSCCCXHMR-AXAPSJFSSA-N 438.294 0.000 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccsc3)C2)C1 1840183803 BCVXVGBFVQXAPK-HXUWFJFHSA-N 438.550 0.120 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188659 WCICEVNLIMHULF-PAPVNEROSA-N 438.308 0.776 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840232385 VGMRGGYIMXWSSF-JEBQAFNWSA-N 436.336 0.205 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1 1842151298 RJSUNZZTWPQFOV-UHFFFAOYSA-N 443.272 0.349 50 20 ICGD CCCNC(=O)CCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415270 GWNAJANIJWHRJQ-BUVRLJJBSA-N 430.509 0.630 50 20 ICGD Nc1nc(CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)nc2ccccc12 22817504 XBJVRHMLLYHYHV-UHFFFAOYSA-N 437.479 0.930 50 20 ICGD COC(=O)c1ccc(OCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 731220453 HPHULILJIGXSCK-UHFFFAOYSA-N 442.476 0.889 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2sccc2S(=O)(=O)N(C)C)n1 732366486 AEQWGXKVXOKTEL-UHFFFAOYSA-N 446.532 0.310 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNc2cncc(Cl)n2)CC1 735191735 UFIGFQFXEUXTCA-UHFFFAOYSA-N 439.929 0.892 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 735631903 UHVZVIDMDBQUHH-UHFFFAOYSA-N 425.401 0.695 50 20 ICGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 741653975 QKVPOSPGTWTCNQ-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2c(F)cc(F)cc2Br)n(C)c1=O 741978349 FBSSCKDZZVLUMR-UHFFFAOYSA-N 443.208 0.618 50 20 ICGD CCC(CC)[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCOCC1 742034317 XKHXUSTYJFQWAJ-GOSISDBHSA-N 440.566 0.835 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 743579742 SLBSKZUSRMZOGB-CQSZACIVSA-N 445.501 0.488 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 744404045 FQWRWCPFXWWRKT-UHFFFAOYSA-N 439.520 0.205 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCn2c(=O)nc(O)c3ccccc32)c1 744531965 SBBYQIIAVSUPPP-UHFFFAOYSA-N 435.396 0.368 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 745138434 XJDFNFJGOVTQRJ-UHFFFAOYSA-N 425.488 0.805 50 20 ICGD CO[C@]1(C)C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 745935516 NEQFMDJMXYEXRL-DNVCBOLYSA-N 440.570 0.847 50 20 ICGD Cn1c(N)c(C=NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(=O)n(C)c1=O 749812589 PFCCNWRZUQYTGI-UHFFFAOYSA-N 444.455 0.678 50 20 ICGD CC(C)n1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 753942117 CHMAMOYLNANDTQ-UHFFFAOYSA-N 441.535 0.872 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753964706 AYBVSGGABNQJRI-GFCCVEGCSA-N 428.486 0.880 50 20 ICGD O=C(NN=Cc1cn(-c2ccccc2)nn1)C(=O)NN=Cc1cn(-c2ccccc2)nn1 755472036 OCUNNPPRXYHRJO-UHFFFAOYSA-N 428.416 0.448 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 757048269 PVDVIYOPASGCSO-KBPBESRZSA-N 426.477 0.771 50 20 ICGD Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046195 FYWFLJZLBIOGTK-SECBINFHSA-N 431.312 0.866 50 20 ICGD C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 760196578 ZBKRKKYRPFXEEQ-GJZGRUSLSA-N 440.522 0.467 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1Br 760244530 PJOGDRSGGACJLD-SECBINFHSA-N 430.284 0.334 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763576606 CUCKKBKRNUJRTI-SFHVURJKSA-N 444.419 0.588 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763695310 PRZLNTIBDSWSFL-UHFFFAOYSA-N 444.828 0.291 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 763815024 ZWJNAQPXEBMEBA-UHFFFAOYSA-N 428.445 0.627 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 763858661 VOFHYMDHIAXYSZ-UHFFFAOYSA-N 437.456 0.964 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763867302 ZNZBLUQVBYVKRC-GXTWGEPZSA-N 428.420 0.983 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 764011401 GYMWIUGKNTXONA-UHFFFAOYSA-N 433.787 0.863 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)o1 764139602 XSCNPSZVKWCYBE-UHFFFAOYSA-N 429.433 0.852 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764193108 PWMFJZNNNZEJKD-UHFFFAOYSA-N 426.477 0.661 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)cc1F 764280440 PGIUBXDDCCWTLH-UHFFFAOYSA-N 439.197 0.792 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764552304 LQYDHEKNLJLYHL-OLZOCXBDSA-N 434.449 0.979 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCO1 764584779 GDGCNCWJIJZBHT-CQSZACIVSA-N 427.527 0.927 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(=O)n1C 764767823 PFCKZLMYYLXEGO-UHFFFAOYSA-N 442.291 0.935 50 20 ICGD O=C(NNS(=O)(=O)N1CCOCC1)[C@H]1Cc2ccccc2CN1Cc1ccccc1 765067845 MYOAHRIPXLTLEQ-HXUWFJFHSA-N 430.530 0.811 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1csc(N2CCOCC2)n1 765532456 UXRBRVZKBJYLEB-UHFFFAOYSA-N 444.448 0.740 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)n(C)c1=O 765729966 JLJDAOXASCVFGX-UHFFFAOYSA-N 446.467 0.413 50 20 ICGD CCCc1nnc(S)n1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766640822 GKUGZWUIMCCZOF-UHFFFAOYSA-N 445.549 0.125 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 767241215 RWQJOAIKPFHMQC-UHFFFAOYSA-N 442.428 0.875 50 20 ICGD Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc1Br 775080172 JDVNINNMULJZSW-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD COC(=O)CNC(=O)NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 779824095 XRERBCYQCFCKDR-UHFFFAOYSA-N 437.210 0.555 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780906150 AZOCWRKJKMPTPR-AWEZNQCLSA-N 438.423 0.763 50 20 ICGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1C(F)F 784002473 QEVUEVGDHOSNPR-UHFFFAOYSA-N 426.380 0.586 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787889626 PPEFLUKNBJBMGW-UHFFFAOYSA-N 442.314 0.323 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 792015559 ZKDRTMMXCJLBKB-SFHVURJKSA-N 438.362 0.716 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 792844150 UOQUJDSMKLVNMN-UHFFFAOYSA-N 445.480 0.028 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 802007142 YARJWRNGJFUGKX-VIFPVBQESA-N 441.416 0.583 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(C(F)(F)F)nn2)cc1OC 810727284 XBSPGEWUQWKZJP-UHFFFAOYSA-N 435.384 0.934 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCN(c2ccccc2)CC1 812452541 VJTWFGMQEMELAC-UHFFFAOYSA-N 444.517 0.090 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)cc1 813033996 USMOWVWAJLLTDP-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD O=C(NNc1ncncc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 817078674 OXRLAOUVCNYCBT-UHFFFAOYSA-N 437.453 0.931 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912952846 NZNLEIOPILZFGC-RNKCIKGZSA-N 437.562 0.776 50 20 ICGD COCCN1C[C@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1=O 914461789 VDVDICQHTDCAPQ-NWDGAFQWSA-N 428.283 0.859 50 20 ICGD COc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)ccc1OCC(=O)N1CCOCC1 916365001 ZAZVPQNHLHXALM-KRWDZBQOSA-N 448.520 0.351 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1 918548685 HVQOMZPWDDBTLL-CQSZACIVSA-N 449.533 0.800 50 20 ICGD O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1cccs1 919183428 VULMOFFYSADSBE-DZGCQCFKSA-N 449.460 0.396 50 20 ICGD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887142 ZQALQKSHNAQVKF-LLVKDONJSA-N 445.910 1.000 50 20 ICGD COCCNC(=O)C1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 1116319908 YQEZAXBOUWDIFD-UHFFFAOYSA-N 426.901 0.584 50 20 ICGD O=C(NNC(=O)c1n[nH]cc1I)c1nn(-c2ccccc2)cc1O 1320324241 RZCQOEZUKCZGMB-UHFFFAOYSA-N 438.185 0.980 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779214700 YNSGTLYFIVPPST-JKIFEVAISA-N 428.331 0.775 50 20 ICGD CC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095230 KWCNXZOTJOGBFF-UZLBHIALSA-N 435.433 0.735 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780954276 WRJJNRBCWPKXRS-FZKQIMNGSA-N 436.310 0.885 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1783933572 QQXVTAHSEPACBT-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1783936552 OYXWUIHTEFFBFJ-LJQANCHMSA-N 441.891 0.691 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1783973798 CWTXDHJSVVDMRP-QTVXIADOSA-N 428.331 0.850 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783984609 ODTQTXREIYTWKX-NJSLBKSFSA-N 433.933 0.983 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784084485 UUHLVRRUGHPAGK-MULDDASSSA-N 444.956 0.935 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(O)c1OC 1784092907 XLFFKSXDWUFIBI-ZIEJDFEHSA-N 442.896 0.602 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1ccnn1 1791100816 QCHULIKBWRLWAH-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792870405 NPAOTJVCZOFOHL-FVCCEPFGSA-N 427.299 0.719 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792981009 YFJTUHGPXAETSU-CZAMWMTLSA-N 440.884 0.464 50 20 ICGD CC(C)c1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)co1 1794283699 AFUVDODICQYQQS-FVCICTRLSA-N 442.476 0.314 50 20 ICGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1794698096 HFUJWSNOYKWFHT-YWVIFJGQSA-N 444.517 0.275 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)NCC(C)C 1796916775 PPWIIRWYHQZUDG-BDHJUDLHSA-N 430.509 0.531 50 20 ICGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)CC1 1799275429 XNSPVRJAMSINDK-HIRMHNASSA-N 435.396 0.450 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)[C@H](F)Br 1799346456 RETHLWMTHFOJDW-LFSVMHDDSA-N 433.303 0.849 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799659395 YRMSSEXBNIKRLG-AMDHYVTDSA-N 429.267 0.790 50 20 ICGD CN1CCC(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CC1 1805004511 XTCDTCFDPZNSMM-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccn2)[C@H]1c1cccnc1 1805433298 LJZFLMOTSIBIBX-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805650530 CQGMIDVHGXBUIX-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807364048 RWHUFVQUAXZJQH-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1=COCCC1 1813114814 SAXYPNRARWKKEP-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815584544 WHCLESBFNVIEQT-INIZCTEOSA-N 435.529 0.643 50 20 ICGD Cn1ccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816552641 BUFFSCJHKIFPLV-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](Cl)COC)n[nH]1 1822370006 JXWPQDUTQPMREN-ITDIGPHOSA-N 431.877 0.720 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1823496819 PKVNPZZHAVAWDM-MNOVXSKESA-N 445.954 0.862 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1825647495 PBSNQDHBIYAMGW-DTWKUNHWSA-N 441.307 0.764 50 20 ICGD O=C(CCn1cncn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060322 FVJVPQFKVGRIII-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719217 AKOPRYGIQRIRRU-RIFZZMRRSA-N 440.928 0.048 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830739083 YAWAYWYJHGWPSH-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831651004 MTBLOFBRQMAUKQ-DNVCBOLYSA-N 440.884 0.652 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831830238 NOTDRJQFJDXODQ-OALUTQOASA-N 436.745 0.854 50 20 ICGD COC(=O)C12CC(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)(C1)C2 1833313109 WEQHPIODUOVWTG-YMTQGWHGSA-N 441.956 0.501 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833944250 JDAOORQYJCNUCL-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840143 QEMKBSGTPJCZFC-ZBEGNZNMSA-N 447.355 0.826 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064767 BFXZKGZHQHJGHG-GUYCJALGSA-N 429.315 0.202 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836084796 SFKTZUNANHKHBR-GUYCJALGSA-N 432.930 0.099 50 20 ICGD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718165 UFXXSASLKYGQEW-CYBMUJFWSA-N 429.861 0.530 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1838082997 XGEIZHPFCCMVAI-HNNXBMFYSA-N 427.864 0.722 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1838272938 HGPHAVLYLUFTDR-SFHVURJKSA-N 443.342 0.838 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1cncn1 1839155442 UBSJBXNAZZQQJT-XYPHTWIQSA-N 434.324 0.532 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839202263 YSRYNSPBIOAAGS-CJNGLKHVSA-N 449.277 0.189 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840036634 PRVXIODAUWKWIR-GMLZYFJESA-N 427.299 0.663 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840151925 RPAJIHPLGKUFEK-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840153490 PTXDXRFJEDLWTL-LAUBAEHRSA-N 442.940 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840154884 JBLQQSQMKWLEAL-VBKZILBWSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840156129 OHLQYJLAMOYJIE-IFXJQAMLSA-N 449.932 0.221 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1N(C)C 1843011971 PQDLRAXKMLRWRC-UHFFFAOYSA-N 437.305 0.572 50 20 ICGD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)NCc1ccccc1 1843012874 PCYTZMCNEBYIQD-ZHACJKMWSA-N 447.300 0.056 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nccc3nc[nH]c23)C1 1843290704 JJIGLUUAEZPVCT-LGJNPRDNSA-N 434.460 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1843416390 CKLQUJLLQXLUTK-OEAKJJBVSA-N 440.508 0.984 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846383873 DDWNQNRDLMLRQN-UHFFFAOYSA-N 444.532 0.982 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CC1 1847556869 RGJJRBSSVGLBGS-KKUMJFAQSA-N 445.944 0.550 50 20 ICGD CC(C)(C)NC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14894728 UYOPHJWMPLAZAH-UHFFFAOYSA-N 428.580 0.934 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195269 OFMXFWCBLUAWMU-JTQLQIEISA-N 449.876 0.705 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2F)C1=O 26695563 LTDRAEIDGMMUHB-FQEVSTJZSA-N 432.383 0.958 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 726245830 RONQKIZRQHAJEY-MRXNPFEDSA-N 433.440 0.552 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 726250700 AJCVQVOJOIFVEC-UHFFFAOYSA-N 442.476 0.079 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 726278899 MWMSMFZWMAACTJ-OAQYLSRUSA-N 425.445 0.823 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 728179039 NOWSMOKPDXVEDK-LSDHHAIUSA-N 435.502 0.568 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)o2)cc1 728433562 DANDNPSAUYSYMO-LLVKDONJSA-N 428.492 0.243 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1Cl 728509855 AGXZXDRJAUWLCO-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 729964979 IZDADYKLODRYRH-UHFFFAOYSA-N 439.515 0.775 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCn1c(=O)oc2ccccc21 730128216 VBKSVLJMEIDXNN-UHFFFAOYSA-N 446.489 0.840 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 733042016 KQGHSZMYHDHBOK-UHFFFAOYSA-N 433.481 0.961 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C(=O)N(C)C 734414538 KCJJOQHEOVQWHZ-QGZVFWFLSA-N 435.458 0.547 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOC[C@H]2CCCO2)cc1 734676976 GIWQSQMBAYXLAA-OAHLLOKOSA-N 428.511 0.142 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 734821948 PPJUBSDITSJFOB-UHFFFAOYSA-N 447.558 0.388 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(F)cc1Br 742558669 FJSOYHUMQQRULR-OXHZDVMGSA-N 440.225 0.512 50 20 ICGD O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746594593 QMWYVUMTGYUTHG-LLVKDONJSA-N 444.926 0.405 50 20 ICGD Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 751230760 QQLFPKGEZPRLRH-UHFFFAOYSA-N 430.490 0.963 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cccnc1I 757968806 BNOGVUIPOZAQPK-UHFFFAOYSA-N 430.227 0.939 50 20 ICGD O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)NNC(=O)C(=O)Nc1ccccn1 758669115 BLQBJGZUBPTAES-INIZCTEOSA-N 430.440 0.563 50 20 ICGD CN(NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782668 VXTLFUBLLXQQAC-UHFFFAOYSA-N 447.539 0.645 50 20 ICGD COC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)nc1 760789539 MNDDMACMHJCAON-UHFFFAOYSA-N 436.446 0.451 50 20 ICGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 763512289 PMLLZLXLOKOOAZ-UHFFFAOYSA-N 440.481 0.852 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCNC2=O)c1 763572623 MVRJECJWKVBBKF-MRXNPFEDSA-N 425.401 0.142 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763575025 PATVYPMMINKQSF-GOSISDBHSA-N 428.445 0.553 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 763680923 RVPJMHBWCGYQQY-UHFFFAOYSA-N 430.436 0.823 50 20 ICGD Cc1ccncc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797089 XRGSZQYGFATJHV-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD CC(=O)N(C)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763805032 ZYDQDTUODUQHPF-UHFFFAOYSA-N 429.389 0.742 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 764039369 KSOYATHAZASFKQ-UHFFFAOYSA-N 442.881 0.973 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 764082104 BKJYBDFVIDJDCR-MELADBBJSA-N 440.522 0.617 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)cc1S(N)(=O)=O 764252497 HBLLOWDLHSCWKD-UHFFFAOYSA-N 441.469 0.844 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 764363463 POCOIUSOBVZYBE-UHFFFAOYSA-N 425.199 0.799 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 764514498 MTLVSOPZAOISRI-SJKOYZFVSA-N 430.442 0.212 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOCC(F)(F)C(F)F)c1 765646806 QWEBEBRWPVOZBB-UHFFFAOYSA-N 444.407 0.798 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 767282825 XLYYDDBQGGUZPK-UHFFFAOYSA-N 449.485 0.919 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1Cl 768453171 UTUKGWBFNOVACL-OAHLLOKOSA-N 440.909 0.842 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)ccc1Br)N[C@H]1CCS(=O)(=O)C1 771901662 GYUUDPVVKGCYMM-QMMMGPOBSA-N 430.277 0.268 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 772095951 HFRIONASRHJGSM-GOEBONIOSA-N 425.507 0.718 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 778437696 JIQVHMMSDLDSRW-JTQLQIEISA-N 441.466 0.933 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 780441570 XWRHITZPKYSNGR-INIZCTEOSA-N 425.449 0.613 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cccc1C(=O)Nc1ccccc1 783999823 KTIUSMUEBORRNN-UHFFFAOYSA-N 437.456 0.956 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)n1CC(C)C 788001125 UVVYFTBINXYJAS-ARNIUWDISA-N 448.589 0.970 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 788228965 RCLLWMPXSPUKMD-UHFFFAOYSA-N 440.503 0.112 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CC(CC(N)=O)C2)cc1 794280222 BEDQAMJMEADEHU-SXGWCWSVSA-N 436.472 0.675 50 20 ICGD O=C(COC(=O)c1ccnc(NC(=O)C2CC2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 803904713 PZCHGQJBZLOZKR-UHFFFAOYSA-N 427.373 0.956 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1 806746163 OYIJBQADCCVUGZ-LBPRGKRZSA-N 432.437 0.195 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)ccc1F 806978029 JFSVUPJNHBWIMF-UHFFFAOYSA-N 436.465 0.795 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3noc4c3CCCC4)nc2)CC1 807618823 LIOXRMHODZKTMM-UHFFFAOYSA-N 449.537 0.711 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NOC/C=C\Cl 812706725 YABSNIWMDYNKRK-QPIMQUGISA-N 446.913 0.655 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(OC[C@@H]2CCCO2)c1 815691333 MTAULOWOULQIMA-CABCVRRESA-N 442.476 0.493 50 20 ICGD COc1cc(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1OC 914562917 BPWPBNAEPZBLMN-UHFFFAOYSA-N 442.519 0.929 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(c3cnccn3)CC2)cc1OC 914901497 VGZPBRUHTWNXTD-UHFFFAOYSA-N 443.460 0.715 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919883041 ADKBGZJARBKVRR-ZDUSSCGKSA-N 446.551 0.157 50 20 ICGD O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883857 GAHXEZPEUFCEAS-GFCCVEGCSA-N 427.870 0.840 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCCN2C(=O)CN(C)C2=O)c2ccccc2c1=O 921235376 BWFVLDURQSYGBE-UHFFFAOYSA-N 428.449 0.242 50 20 ICGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1318035592 QFQBETLDKAQHQN-LBPRGKRZSA-N 429.524 0.899 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1320516262 NKDMWANUSSLPOE-GFCCVEGCSA-N 440.522 0.679 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)c2ccc(Br)cc2)C(=O)NC1=S 1321467693 WVSDMVNXKVOXBY-FLIBITNWSA-N 427.280 0.457 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 1338099506 ZLJZZXSYUHTMGF-UHFFFAOYSA-N 445.505 0.896 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1781258069 DWLIMFBYRSFKFZ-HJPURHCSSA-N 438.289 0.319 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(Cl)nc3)[C@H]2C1 1783380525 HGCLGPHFCHUQEG-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1783741343 UTBWZQUXIAVRSW-QHCPKHFHSA-N 436.273 0.001 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950415 WOLZWWBSFFPWAN-KPZWWZAWSA-N 429.304 0.834 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]21)[C@H](O)CCl 1784091269 MMCRWSKZKMUJMH-UHIXZJCNSA-N 433.896 0.665 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(C#N)c1 1784091980 ARSAATIQZWFKBX-QZHFEQFPSA-N 435.908 0.689 50 20 ICGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786746633 HWOKTZYSTBSSRG-RZLSGREXSA-N 436.322 0.379 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)o1 1786982261 VJVWVYMIZUEGCW-VDGAXYAQSA-N 426.278 0.104 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)C)C[C@@H]21 1787509055 QYTIIWKLFQGTNP-BODMQJBDSA-N 446.552 0.488 50 20 ICGD CC(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1789372593 FQEHJBIUBYOYDA-BQFCYCMXSA-N 434.541 0.430 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21)N1CCN(C)CC1 1789797487 IOCQPRLIQUGEPD-DRCYAFTPSA-N 449.423 0.838 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1789861663 HPBIAGXDQZODIH-TUUVXOQKSA-N 435.912 0.942 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790566125 BMOPCGNDFPQZRF-XIRDDKMYSA-N 436.585 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21 1791290951 DXKLVKPVNUHERP-QRTARXTBSA-N 437.928 0.701 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1791602460 GRHAMGRVYOZYMJ-UHFFFAOYSA-N 446.552 0.867 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792453149 SSBGYPGVGOMDKW-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793440037 UOXJHFFLOCJKAY-QMHWVQJVSA-N 447.960 0.991 50 20 ICGD CC(C)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1794052497 DLPYOEOUHQFANY-WKCHPHFGSA-N 427.354 0.739 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3c1OCO3)C2 1798439843 KCHLMEXRKQZVJQ-CLLJXQQHSA-N 438.444 0.374 50 20 ICGD CC(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095165 WQWLUUSBLHTJCH-HATOLVCRSA-N 445.564 0.968 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccccc21 1801111109 ZLROGNUZQSTSOA-GMQQQROESA-N 434.301 0.300 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807363736 NUUFRMZBASBRJI-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369667 RKKNIRGJVAMFCE-FPOVZHCZSA-N 430.273 0.790 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccccc3)C2)CC1 1809450060 LXRXYASICMPYQR-NRFANRHFSA-N 436.317 0.945 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972724 OJLKHASPGAFOEG-FQEVSTJZSA-N 443.353 0.516 50 20 ICGD COC(=O)CSCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977477 HURFIXPQRPZJCS-UHFFFAOYSA-N 448.350 0.117 50 20 ICGD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811245412 KICUGKTUWIHMSE-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnn1 1812400042 UGERUFXMUSDSEY-MDYRTPRTSA-N 442.524 0.313 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815768876 FVQXATLGTMXXOA-CHWSQXEVSA-N 436.545 0.851 50 20 ICGD O=C(CCc1cn[nH]c1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815875487 JBNSNYLTNWLAMN-SFHVURJKSA-N 436.281 0.751 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822026398 IEIVRXJXKWLGON-INIZCTEOSA-N 441.605 0.540 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Br)CC2)C(=O)N1 1824973557 UUXXDWHBBVTXEH-WFASDCNBSA-N 447.305 0.848 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059667 SNKSABZTPDDMNN-RBUKOAKNSA-N 444.341 0.047 50 20 ICGD COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738588 QGXZXKBRVWMSQD-BEFAXECRSA-N 434.917 0.166 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1833339770 SGHGVNYIFDODKA-SFHVURJKSA-N 445.303 0.914 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826384 NNYZLJHJFILMKY-SFHVURJKSA-N 449.342 0.817 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835058334 NDZFKJOPDFPXEQ-CVEARBPZSA-N 431.965 0.259 50 20 ICGD CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)CC1 1835512438 HYTVMBJKSFBSPF-LJQANCHMSA-N 445.967 0.257 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836690915 HUNHKCZFSXGMQK-FQEVSTJZSA-N 446.353 0.386 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837754436 XYAAYDNJQMUSGR-KZULUSFZSA-N 442.925 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839616 NZCCVSVYWYYFIH-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260569 UFJYTQJSZDKFHW-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155509 VPMGBJSFCCHGKK-RBUKOAKNSA-N 446.331 0.901 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1839962762 QNJAOOTZSZHUIQ-GDZNZVCISA-N 434.331 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840236825 WZBITFDSAALBIE-OXJNMPFZSA-N 448.944 0.820 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841358860 QLHRMWCRYCGJTR-OAHLLOKOSA-N 439.557 0.724 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841387196 XXSANNFEVUZPOP-SFTDATJTSA-N 434.301 0.479 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014003 MJQUNVBHTWYRTN-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C[C@@H](N)c1cccnc1)C2 1843415840 SQNPTULBCFAUDB-CIRUFVMISA-N 437.504 0.809 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(C(F)F)n1 1843575939 UQVBALABGOXYMN-UHFFFAOYSA-N 433.419 0.487 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1844263315 QEBARJVCQAHXGZ-UHFFFAOYSA-N 438.444 0.653 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1844264590 LHVUGIREVHKOJW-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1844265122 WCJBZGMCFZGWLE-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038824 XTJAKTWHKMXHHW-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564586 XRGUDBWEUJARNL-FQUUOJAGSA-N 429.901 0.714 50 20 ICGD COc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n1 1848155492 RAMLWVDESINHSO-YKLHELRZSA-N 438.488 0.969 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 21038807 NVBVHVBQDIFQTQ-DHZHZOJOSA-N 427.442 0.769 50 20 ICGD COc1ccc(C)cc1CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728951117 CBHMAQQSCAMJAA-UHFFFAOYSA-N 429.477 0.885 50 20 ICGD CS(=O)(=O)NCCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298643 PYBKNSBYOIFLPC-UHFFFAOYSA-N 443.485 0.145 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 731852678 HUYIQBBKOLJZSM-GFCCVEGCSA-N 441.897 0.904 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)C2=O 732260932 JFLLNYGEYOJOQP-MIGDOEGOSA-N 437.541 0.524 50 20 ICGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 733361008 ZBIQYBRBPGXRPX-LBPRGKRZSA-N 447.355 0.559 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2(N3CCOCC3)CCCC2)c1 735834148 IXWSAELLPKGUFS-UHFFFAOYSA-N 438.550 0.733 50 20 ICGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(Br)s1 741646336 HYPALNMZGXBGPY-UHFFFAOYSA-N 440.322 0.781 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)/N=C1/NS(=O)(=O)c2ccccc21 742463007 JTIHYYWQSFJDCL-LLVKDONJSA-N 431.430 0.873 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 746551046 ZXURURZIPPQILV-CQSZACIVSA-N 433.515 0.939 50 20 ICGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 751209327 OVKFEUSJRHTPLG-UHFFFAOYSA-N 442.494 0.765 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 756099100 UBZYODLUORHKOW-STEAMIEHSA-N 426.473 0.820 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 757656809 OJPRSSXNYCJXCU-LLVKDONJSA-N 425.442 0.126 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 758040842 SHLKPUUUILLWPK-LRDDRELGSA-N 448.501 0.235 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 763527186 GXAJVPIVZBTEKB-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccnc1N1CCCCC1 763571988 KCHPUSPNUQNUKK-KRWDZBQOSA-N 425.445 0.998 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 763629412 IZZFZZJYFOMAEZ-UHFFFAOYSA-N 444.473 0.804 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1S(N)(=O)=O 763931511 HZAZBWATJATTOJ-UHFFFAOYSA-N 438.893 0.878 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1F 763945054 SXNAXURTAHQBHM-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764165280 VHFYKOVKEKXNIU-CQSZACIVSA-N 437.861 0.833 50 20 ICGD Cc1cccc(COc2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)c1 764230787 LDYROCNJKPEVAI-CQSZACIVSA-N 448.501 0.598 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764275068 IMRAOVJNRSIZFQ-UHFFFAOYSA-N 425.405 0.231 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc(Cl)c2F)CC1 764282337 NDACMFOSCKBNMM-UHFFFAOYSA-N 428.877 0.962 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764333432 UOIMSLUDEPWVNX-SRABZTEZSA-N 448.426 0.853 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 764545003 PZNPOLGFIUUQFG-NSHDSACASA-N 440.441 0.335 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)c1cc([N+](=O)[O-])ccc1O 764936290 YQWDOUBXSMMIOH-UHFFFAOYSA-N 432.414 0.759 50 20 ICGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739587 YZCQKWBZJWAFGI-UHFFFAOYSA-N 425.445 0.743 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 769264301 DVUUWPJBRPQEKH-GFCCVEGCSA-N 427.339 0.392 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 769624949 GGJHXMPVTNHTOV-SECBINFHSA-N 439.309 0.048 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1C 769694876 RCRRHAJFYVSTNP-UHFFFAOYSA-N 429.477 0.890 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccccc3F)c2)CCN1 782705686 HMHPOKRWNFSHNA-UHFFFAOYSA-N 435.437 0.028 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1 784584527 FUQQQNXWNLLYRF-UHFFFAOYSA-N 440.522 0.630 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1COCCN1CC(F)F 786948826 VTDOFMZXMXCVRX-GFCCVEGCSA-N 435.811 0.619 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2c1=O 789069715 VSAFHQNZHHENBA-UHFFFAOYSA-N 436.457 0.756 50 20 ICGD COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 792269380 RGWZPCRGGFIQPT-UHFFFAOYSA-N 428.323 0.980 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)CNC(=O)c2cccnc2)C1 794519498 BQHMARXQYCOUPA-HNNXBMFYSA-N 446.508 0.677 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)cc1C 796989546 HAXVHUSBIRLBIN-UHFFFAOYSA-N 448.501 0.962 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 802585452 DZYDGHPDXJHOSO-UHFFFAOYSA-N 425.850 0.988 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 806974430 AHZPAAFTLDKUHK-ZDUSSCGKSA-N 446.435 0.755 50 20 ICGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 808068866 JNAUIOGKTWEZDJ-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033858 OIXPLXAIJNJJED-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 818515118 GCTLSSRVXPRCHB-LJQANCHMSA-N 429.364 0.962 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1NS(C)(=O)=O 912848222 YBIDWMFOBLQVJV-UHFFFAOYSA-N 439.519 0.734 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc(-c3ccco3)nc12 913083983 XUOSBJNWXVHPJR-UHFFFAOYSA-N 448.395 0.934 50 20 ICGD CCOCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915888618 BJNMUGSLSXIPEN-UHFFFAOYSA-N 442.538 0.397 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCCNS(C)(=O)=O)cc12 916294446 PMASIEZZUAEJPL-UHFFFAOYSA-N 436.519 0.889 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)COc1ccccc1F 916720354 RLXGVEKZYXEZQH-UHFFFAOYSA-N 428.424 0.743 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccccc2C#N)c1 918224709 ZFOJHXMSLWVSLZ-UHFFFAOYSA-N 425.445 0.935 50 20 ICGD O=C(CNC(=O)c1ccc(F)c(F)c1)NNC(=O)c1csc(N2CCOCC2)n1 918286147 ZKHBDAOHUPIOFY-UHFFFAOYSA-N 425.417 0.449 50 20 ICGD COc1ccc(CSCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 919885752 NKZDAJUNVPRNKC-NSHDSACASA-N 432.480 0.354 50 20 ICGD Cc1csc([C@](O)(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C(F)(F)F)n1 1322132715 FVASJIKFMCBIQV-PRHODGIISA-N 430.430 0.109 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781664850 HEENJWCKECZZOV-NRFANRHFSA-N 443.435 0.287 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cccc1 1782213974 DPWDFXNIKUFUSV-JBYIUTFZSA-N 433.553 0.936 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782337267 ROQRGNHUOKIMFM-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783342483 JCJRHWZPQBVBQK-SCLBCKFNSA-N 442.310 0.305 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCC(F)(F)C1 1783453777 IKVJVGYTOOFOST-LAQRGFTBSA-N 436.264 0.395 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783933896 KWRSMKVJOWFUBS-QFIPXVFZSA-N 448.568 0.435 50 20 ICGD COc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785241310 UWCUEWFPHQDIOL-DNUAJFIVSA-N 425.913 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3C3CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979403 DYYWLPNGWPBDJU-SNRMKQJTSA-N 439.277 0.139 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984287 YZYFKLJKDPKITF-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD COc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787718415 KOFQRGZEBJKKFC-DZKIICNBSA-N 438.550 0.723 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)C1 1788114678 JQIOPDLUYXZAJE-HNKHHVNMSA-N 445.944 0.433 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(C)c1 1789674654 AFCZCFCZAARZOP-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 1791203648 FSFIDOZIENPOON-LCNLMQJVSA-N 448.328 0.763 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1791252897 WSHLFUAIYYEBNA-NXOAAHMSSA-N 438.912 0.045 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(F)CCCC=C3F)[C@H]2C1 1792324993 KQGDLRZZXAXIBD-ABXWHYIOSA-N 448.275 0.705 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1792868049 NZNIBZCHVARNQJ-GUDRVLHUSA-N 429.271 0.122 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1F 1794355437 PEIKYKHOXGAFCK-IVWMJMPLSA-N 442.451 0.045 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796304129 NMZDIKHBNYCXRE-QIRZIZBZSA-N 445.383 0.634 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCCC1)C2 1796445454 ARFIZJQBMVELRX-CBKYIJDSSA-N 429.477 0.404 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797707788 WQHWUMIHDPOAQJ-FZKCQIBNSA-N 435.974 0.550 50 20 ICGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)c1OC 1798771332 ZXGRQJPEJKESMX-HOZXKAFVSA-N 446.273 0.993 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c[nH]c2ccccc12 1799125928 YVEQAUDTNJXJAE-GPVSGQMNSA-N 441.532 0.673 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccccc2C1 1800679070 QVQQZMGYAHLPNU-WRHDZBKDSA-N 448.328 0.375 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1800761603 CCEOAAPEUFSUTI-NRWUCQMLSA-N 427.299 0.652 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NN1)c1cccc(B(O)O)c1 1801217227 YUOPSGNVQJYUIX-XAPVIXHLSA-N 446.316 0.384 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)C1 1804610800 NZAPBNRCKGVDQZ-XFIYOXNOSA-N 445.944 0.860 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806258884 OFCYIWGWLDRVDC-UHFFFAOYSA-N 438.337 0.875 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806776424 JCUDSIKXSHYLFD-YLJYHZDGSA-N 425.294 0.242 50 20 ICGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]2c2cccnc2)O1 1808648980 GFXUGWXMUDJWJW-YVECIDJPSA-N 429.246 0.886 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1813071248 RAIRMCVRAHNPAV-UZLBHIALSA-N 425.493 0.564 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1813072473 AETBBVAGXUAZAD-ROQZPYQZSA-N 431.493 0.491 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813534347 NGUZAPSBQIGQBX-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD CC(=O)NCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815340668 AUQHUPTUZZBLBG-INIZCTEOSA-N 449.556 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 1815451735 OHAISSHTPSEHTK-CYBMUJFWSA-N 446.533 0.290 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1821529940 WZOXKZVBTDWRLF-JTQLQIEISA-N 440.489 0.713 50 20 ICGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CO[Si](C)(C)C)[nH]n1)C(=O)C(=O)O 1821715612 NRSFAXNQMGYXRV-ZDUSSCGKSA-N 439.545 0.796 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824587797 FAMRULCPVMTAHF-KXBFYZLASA-N 429.326 0.111 50 20 ICGD O=C(CN1CCOC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049585 WVWVIFYDUBFAGO-IBGZPJMESA-N 443.309 0.052 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049597 XBSVSZJJVHMRAJ-CTNGQTDRSA-N 440.305 0.926 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050789 YNGGPXZGWGOYIN-BEFAXECRSA-N 429.326 0.111 50 20 ICGD O=C(CCn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060320 FVJVPQFKVGRIII-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)CC1 1828806109 JFTIBICEWUGKTB-INIZCTEOSA-N 448.572 0.312 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1830245743 MLPSKIUIYQOLFV-MOPGFXCFSA-N 441.016 0.986 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720190 VAKUREBYJQQRMX-LPHOPBHVSA-N 447.315 0.775 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805526 MTYNEDKKDARZQS-YLJYHZDGSA-N 438.908 0.480 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945386 VQMPUCFZRLTAIM-CXAGYDPISA-N 429.315 0.582 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762244 LTJYSGYFACORMD-CVEARBPZSA-N 441.960 0.564 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834131316 ZXPNSIBPRUNPPY-DYVFJYSZSA-N 446.273 0.851 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1838060373 KSQUNNROCOWAKP-LIRRHRJNSA-N 429.901 0.869 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839149448 HAWHQZWMRXPEIR-YVEFUNNKSA-N 449.982 0.321 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198264 AWLCYGAMAMCRFJ-DVOMOZLQSA-N 438.294 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839963859 YZEWFQOJCJEDIU-WMLDXEAASA-N 429.315 0.664 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840037387 ZCIWEZVNQYRUBJ-KSSFIOAISA-N 446.342 0.239 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)nn1C 1840154029 IOYWNBXGDHDACF-BEFAXECRSA-N 428.917 0.306 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188510 NRABPWXWGYETRQ-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193507 JREILHMNGYAKNN-JKSUJKDBSA-N 443.349 0.497 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1843601406 ALRSMNGJEGADPH-UHFFFAOYSA-N 437.460 0.169 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cncc3cnccc23)C1 1844652816 SIBFSZITZCBFID-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)cc2NC1=O 1846385265 KBVGAILQGFHHKI-AWEZNQCLSA-N 443.504 0.596 50 20 ICGD COc1ccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2OC)cc1 729455556 LIQFDEATOTWWEP-UHFFFAOYSA-N 440.416 0.914 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCc3ccccc3O)CC2)cn1C 730032572 BLUBWMBYFGHAMS-UHFFFAOYSA-N 449.533 0.615 50 20 ICGD O=C(CSCC(=O)N1CCOCC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730074997 KADQIXUVLCUMIT-UHFFFAOYSA-N 428.536 0.162 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(C)n2n1 732259235 ASWBCRJQSAHEGC-VXGBXAGGSA-N 435.554 0.652 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cc(C)ncn3)CC2)cc1 734256798 YQVOMKJMZWEGQI-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 734825033 REKXDWRDORFAQV-UHFFFAOYSA-N 444.496 0.935 50 20 ICGD CCc1cc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc(-c2ccccn2)n1 738537930 COLJVMSITQCTRK-HIFRSBDPSA-N 444.517 0.580 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744465071 BNKCPRMTCCFZGC-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD NC(=O)COc1ccccc1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744622296 ZVSVGPGIXJIXIF-UHFFFAOYSA-N 434.474 0.329 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1O 746592045 SYBDXAAWHISGNH-UHFFFAOYSA-N 433.446 0.732 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3nnc(-c4ccccc4)o3)ccc21 747692888 VFRYKSMCJSDRAR-UHFFFAOYSA-N 428.430 0.550 50 20 ICGD CC(=O)N[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(Br)cc1 748247901 ZNZKDNSEZBYHSQ-CQSZACIVSA-N 425.283 0.786 50 20 ICGD CC(C)(CCC(=O)NNC(=O)Cc1cccnc1)C(=O)NNC(=O)Cc1cccnc1 749378934 IEDVFGLNPMXZON-UHFFFAOYSA-N 426.477 0.363 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1 752996855 HBWIIDSJRGPUSM-CQSZACIVSA-N 431.522 0.906 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 754534866 BNIWICAHVSJFKO-ABPVARSCSA-N 433.486 0.174 50 20 ICGD O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N[C@@H]1CCS(=O)(=O)C1 754994260 QXIUNMYTYHGRGC-SSDOTTSWSA-N 439.219 0.628 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 755938913 ZCISKLXCKJUHHL-AWEZNQCLSA-N 444.473 0.132 50 20 ICGD N#CCCn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 756656138 VTHSGEVCXJBHPD-UHFFFAOYSA-N 447.477 0.284 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 756840724 YSNSUQAOVLXVHE-OKILXGFUSA-N 430.465 0.994 50 20 ICGD CN(NC(=O)CNC(=O)NCc1ccco1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758788643 ZRNJIVMTGZVDHP-UHFFFAOYSA-N 438.485 0.715 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763570663 HLZBDWAIAHXSMX-QGZVFWFLSA-N 442.428 0.127 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(OC)c(OC)c1 763682817 ORQUHWTTZNSTFF-UHFFFAOYSA-N 449.391 0.794 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c(C)c1 763775895 XUOPSHRHBGQREY-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764086964 YZIHKZIQYPGXDT-UHFFFAOYSA-N 433.442 0.667 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2C1=O 764351982 VEQBGLACUDKPKU-UHFFFAOYSA-N 432.440 0.900 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765118967 JSDXMRNRGLJFBZ-UHFFFAOYSA-N 440.957 0.807 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)s3)CC2)cc1 765727178 GANITXRXEPWUOD-UHFFFAOYSA-N 447.542 0.696 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766637135 YGZJQWUXYARRIY-UHFFFAOYSA-N 425.489 0.713 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccncc3)CC2)cc1 766637144 YNKMFXZLNYFZJJ-UHFFFAOYSA-N 445.545 0.477 50 20 ICGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664829 VOTFJVBBWMMFQQ-MRXNPFEDSA-N 440.953 0.553 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 767327899 FCVCBELZOTZPAW-CQSZACIVSA-N 437.456 0.923 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C[C@@H](C)O1 768122626 USYKNKFMVCGVDZ-QDMKHBRRSA-N 426.543 0.600 50 20 ICGD COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 769866141 RZTOJCDTWSSEGN-UHFFFAOYSA-N 440.247 0.610 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770754928 XTCPYMROLXESNC-GFCCVEGCSA-N 442.386 0.690 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 771147692 GSQKFOLRVUBOCG-UHFFFAOYSA-N 426.220 0.121 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc[nH]n1 772485073 AKWIDUIMUOKLHG-UHFFFAOYSA-N 431.434 0.606 50 20 ICGD CN(C)c1cnc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 779676459 YHYOGBHWMGCULG-UHFFFAOYSA-N 431.928 0.775 50 20 ICGD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783426089 FRHXOCNSNWOFPH-HXUWFJFHSA-N 436.534 0.804 50 20 ICGD Cc1cnc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 784230382 LWGINNIEKOIKPH-UHFFFAOYSA-N 438.535 0.469 50 20 ICGD Cc1cncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 784231143 XFWVTVFEGFUFDY-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD O=C(NNc1cccnc1Cl)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784843351 IAGNDNMLRWJDHB-INIZCTEOSA-N 445.863 0.831 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)n1 784847755 MTEDSVDGVOMROS-UHFFFAOYSA-N 429.433 0.838 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@]1(O)CCc2ccccc2C1 786392881 QIVFLIPXTMNSQI-XMMPIXPASA-N 436.512 0.512 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNc2nc3ccccn3n2)cc1 790425858 UAJPNSLZVQVBQE-UHFFFAOYSA-N 432.462 0.643 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 803873120 UEOYVFOVTFSIHY-WFASDCNBSA-N 437.449 0.678 50 20 ICGD COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 804868050 TVTJNRIAKARWHG-HNNXBMFYSA-N 427.343 0.444 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nc1Cl 806280138 AHENUMMOABVYDH-UHFFFAOYSA-N 430.896 0.807 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806978772 KCYQZDVMQMJHME-UHFFFAOYSA-N 434.792 0.541 50 20 ICGD NS(=O)(=O)c1cc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1F 807975737 FWLXHWGGTQCDRZ-UHFFFAOYSA-N 447.492 0.381 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CC(=O)N(c2ccccc2F)C1 812882826 NEKTZKPHYYGAAN-HNNXBMFYSA-N 441.467 0.968 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 913395667 URKWZNLOQCLCFO-BBRMVZONSA-N 435.433 0.386 50 20 ICGD O=C(COC(=O)COc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1COc2ccccc2O1 914799229 OTGCBCZGWNHMAA-INIZCTEOSA-N 431.357 0.504 50 20 ICGD O=C(NCCCOCC1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916200458 AZMFYZSHPZVCMT-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)nc1 916249763 JDPLTNJFZSYUCF-HUUCEWRRSA-N 428.559 0.894 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1F 916274914 YIDNQHPCPMMZNV-UHFFFAOYSA-N 436.465 0.912 50 20 ICGD O=C(NNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)N[C@H]1CCS(=O)(=O)C1 919885288 KTJRITHBDVOROQ-AWEZNQCLSA-N 436.515 0.809 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1OC(C)C 920240654 ZKFDDMCGHRNSDV-CQSZACIVSA-N 428.511 0.850 50 20 ICGD CCCOCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920885036 NKNBFRMDUPXPJB-UHFFFAOYSA-N 442.476 0.002 50 20 ICGD CN(C)Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)no1 1254433713 CZRLITXTLQMBJF-UHFFFAOYSA-N 435.506 0.986 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1 1262633784 ZGFZICSHJBRLPN-ZDUSSCGKSA-N 432.527 0.958 50 20 ICGD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C 1339128144 LNYNNRVJVDKHFO-DICTVISFSA-N 449.529 0.990 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779535799 CNTWBDOGFXLXSD-HNSFDTNUSA-N 430.343 0.974 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)F)CCO2)NC(=O)NCc1ccccc1 1780970116 SENPJHDNAPOJFU-QFIPXVFZSA-N 449.527 0.911 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](F)Cl)CCO3)C2)C1 1781113703 JPFKEWMQHMHVBH-UMCXVIDHSA-N 449.907 0.579 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)cn1)C2 1782210882 VUHHLQZSYMQXTP-DYESRHJHSA-N 435.500 0.721 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783534978 UFPXZVBIRHYNMZ-GUYCJALGSA-N 429.315 0.756 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783870871 ICESZDGURGEYMY-RNCFNFMXSA-N 434.770 0.425 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1783881626 LKWHAIODAGWSME-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784097480 ZWYFGVOBEGUNRE-XSLAGTTESA-N 437.924 0.304 50 20 ICGD Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)cccc1=O 1786404143 DACZPGGMHMTVCN-YDHLFZDLSA-N 426.311 0.764 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(F)(C3)C4)C[C@@H]21 1788611664 OUVNMVFVTPJUPP-JEUMJWOOSA-N 431.468 0.171 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789867871 KRIFFMIMLFWLQB-GGOFEBJYSA-N 443.393 0.883 50 20 ICGD N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922383 IVIRCBWJRXZTLW-GMOBBJLQSA-N 425.324 0.673 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791522825 HXUSYSOUFGDOEU-XQLPTFJDSA-N 428.331 0.821 50 20 ICGD CC(C)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCC1 1791843143 YMUJCKXTBJBXMG-IHPCNDPISA-N 428.338 0.786 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCSCC3)[C@H]2C1 1792291095 XIZMGHZKMURDID-ULQDDVLXSA-N 426.583 0.482 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792870723 JCFHWWFAFBWEOO-XHJNMGKDSA-N 433.347 0.315 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1F 1792980720 VFGJMPJZWJEQTD-VZAMPYOESA-N 431.867 0.834 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410979 AKFIZWLXRPAQKJ-FVCICTRLSA-N 426.521 0.837 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1F)C2)c1cccc(B(O)O)c1 1795737292 POISTBVMNLWYCF-FVCICTRLSA-N 447.659 0.071 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187828 GRVNMNXVDXKSAI-NGCGUOSQSA-N 439.233 0.833 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796190418 WHJRKVIJWKXTIC-HNULKUCHSA-N 442.321 0.598 50 20 ICGD CCc1[nH]nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1Cl 1796346736 VIIFBBMDIBEJKC-QDMKHBRRSA-N 430.701 0.871 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)C1 1796367737 RWGZXBVVGUOARS-ARSDKDGVSA-N 449.907 0.338 50 20 ICGD CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799869687 WUJHTNSLQKJYQV-REPLKXPHSA-N 444.536 0.107 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800640414 WRZDCXBCVSLTLS-NWJSVONSSA-N 429.315 0.358 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1800644022 DQZSCNRBYKHXNV-LOUJCGABSA-N 430.343 0.762 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800765116 DHFKMDULPIPQQM-PJHOBBQFSA-N 447.919 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)C2 1800970973 NIDAKGIVXOZVED-IBEHDNSVSA-N 447.960 0.991 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)C2 1800974421 WCFZARIEAQJGCM-ZWUHOBOKSA-N 442.900 0.619 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805719362 ZZYGQYQQJDELIN-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1806343388 VVHGBZFFNWAFOH-IPYPFGDCSA-N 425.283 0.981 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCC=CO2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376728 XOYRFTPFRROKOL-SESVDKBCSA-N 435.289 0.774 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1808417717 OENRRLMJPOHXNK-KNRTUPFFSA-N 449.475 0.653 50 20 ICGD Cn1c(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cccc1=O 1809975083 SEZFKOUXNFCZEC-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071988 WYUHONNKUHEDQF-IERDGZPVSA-N 433.509 0.414 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CCCOC1 1814155610 QXDVAKQYSNHTQZ-IRFCIJBXSA-N 437.305 0.508 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(O)c1)CC2)c1ccc(B(O)O)cc1 1815348178 HVZJPCMKWIWWCL-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815774152 XBWFAPMSDSYWAC-INTQDDNPSA-N 441.286 0.783 50 20 ICGD Cn1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1=O 1817473809 AWVFOAROFVBVPQ-SFHVURJKSA-N 449.276 0.408 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932012 BVEKTZHHNKBTJT-IYYTYJHQSA-N 433.282 0.685 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C(=O)O 1823411434 FMWDFMLJBCCJCX-DMIOIOJGSA-N 426.238 0.426 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825447367 WYWNTVOUXZNINO-AEJSXWLSSA-N 446.371 0.821 50 20 ICGD Cn1nccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825973182 JMRWOKHRJADBIJ-SFHVURJKSA-N 439.520 0.966 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826827633 PUSJJSVKPRDIFK-OXVLKEGXSA-N 444.540 0.223 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c1 1827229024 HIURNCXEVPVXEJ-NRFANRHFSA-N 438.337 0.805 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1830537815 PQPOIXBRXFLHKB-CXAGYDPISA-N 429.315 0.521 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830722557 CZLXZHDLIGVIJH-YLJYHZDGSA-N 426.897 0.294 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832209327 XJSGOOJGJSCXDW-GOSISDBHSA-N 442.303 0.691 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1834408520 JWUDMYHHQDWCLI-BBRMVZONSA-N 433.278 0.664 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3(F)CCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801452 LBYYGPNUZQPDMK-UHFFFAOYSA-N 431.317 0.444 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835291451 QTRPEESKBLKRSO-DAYGRLMNSA-N 445.285 0.867 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441399 WGAQOVZHJGHQJN-YLJYHZDGSA-N 431.961 0.573 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837501603 NHFCYUBREGPTLG-KYJSFNMBSA-N 436.958 0.302 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838434825 YAJQUNDJDLTTPN-OAHLLOKOSA-N 438.352 0.940 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839200407 HJGDXHDAKOMDQW-LRDDRELGSA-N 448.293 0.620 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839336870 YRJSGQBQJFQFHA-NQIIRXRSSA-N 448.907 0.542 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031902 GPRNVRXEMVTMOA-OAJDRMGVSA-N 433.299 0.346 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840151296 YBRHAMRVDJRNOV-YLJYHZDGSA-N 443.903 0.864 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840236827 WZBITFDSAALBIE-UZLBHIALSA-N 448.944 0.820 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381492 MCMZHYVJUMWEPC-NHYWBVRUSA-N 448.343 0.137 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840857567 FQYAYTWIEIIWGN-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1841497381 FFKQYSOUKLGIOA-INIZCTEOSA-N 430.509 0.053 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842864430 MASJHUCKIIYROI-UHFFFAOYSA-N 435.462 0.964 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843009819 MMHMNDZFLUMFAK-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD O=C(C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccc(Cl)cc1 1843012658 BIBHQAWHOCHJHJ-UHFFFAOYSA-N 426.665 0.720 50 20 ICGD O=C(CN1CCc2sccc2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013248 YOEWSEKMZCSAQA-UHFFFAOYSA-N 439.346 0.303 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845062194 DANWEFSGGNAINQ-UHFFFAOYSA-N 425.530 0.476 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847566057 GHDDUSCZXMEXHG-KKUMJFAQSA-N 425.825 0.935 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)ccc1Cl 11655548 VWOBRPYTDUKITB-UHFFFAOYSA-N 434.865 0.702 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O 14346659 YHRPTUAYJQWJBK-UHFFFAOYSA-N 426.408 0.333 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 731970845 KYAFEHJIWBBSBH-UHFFFAOYSA-N 427.442 0.450 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc(F)ccc1NS(C)(=O)=O 734239495 PXEKBXJZEVDWKH-UHFFFAOYSA-N 433.462 0.666 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNc2ccc(Cl)nn2)CC1 735113230 MHTHZIUUWSELOH-UHFFFAOYSA-N 439.929 0.892 50 20 ICGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)COCc3ccccc3)CC2)no1 738494989 BPYPYGBLIJUJLN-UHFFFAOYSA-N 430.465 0.497 50 20 ICGD NC(=O)c1ccc(OCCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 748718782 OYFAXIHHOLOWSD-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc(F)c1F 751141382 AFYAGUHGOCMUTC-UHFFFAOYSA-N 441.416 0.679 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 752241137 SHMXPRDHWCQHRI-HNNXBMFYSA-N 433.446 0.913 50 20 ICGD CN1CCC(CNC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 760466799 UJDCIWZEKAPBCP-UHFFFAOYSA-N 439.607 0.922 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 763439256 KAWAUKUXUYQDKH-UHFFFAOYSA-N 425.471 0.277 50 20 ICGD Cc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 763510022 LHWOIWGAPNQZCU-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763529543 CPUHGSKPEBNWHH-UHFFFAOYSA-N 428.493 0.844 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763864897 LYRPWCRTFIVBNP-GFCCVEGCSA-N 432.408 0.964 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)[nH]n3)c2)c1C 764108481 ILJQBRHWXUTAEZ-UHFFFAOYSA-N 439.432 0.789 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c2ccccc2O1 764117015 MKGLYOMEWAWNCZ-HNNXBMFYSA-N 432.820 0.347 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764124149 DEAMFFKCLPLRJI-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccoc2)c1 764158749 KQPCDCMZABKKIP-UHFFFAOYSA-N 438.462 0.718 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1F 764363489 QBIWDSYQGJQYQM-UHFFFAOYSA-N 437.449 0.673 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccc(C)o1 764371168 IMSYVULZSRDXLN-UHFFFAOYSA-N 448.501 0.969 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 764409135 ONERBEFQFOPWGT-ZDUSSCGKSA-N 446.551 0.303 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764431333 BLVLQFVPZWEPNG-ZDUSSCGKSA-N 426.401 0.674 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)c1 765576148 NOVDQDOWDHVXKQ-RWQQGDIJSA-N 437.456 0.617 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 766265203 YSNDIKBNICXFGZ-UHFFFAOYSA-N 439.476 0.854 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767277294 FBNSBHAHPCBATG-UHFFFAOYSA-N 433.486 0.758 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 771904297 RNIKSQXBRACAOX-LBPRGKRZSA-N 435.437 0.366 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)nn1 773497027 PDPOYGMIQJCNPL-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 776319771 JCIBQZYWZAZPKG-JTQLQIEISA-N 435.428 0.602 50 20 ICGD O=C(NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 776972696 MPWLIAPISPABAR-RDTXWAMCSA-N 442.469 0.255 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nc(C)n1 783326457 GZZXKPSAXGSEDT-KOEQRZSOSA-N 445.505 0.988 50 20 ICGD O=C(c1cc(N2CCOCC2)ccn1)N1CCN(S(=O)(=O)CBr)CC1 784461467 HDQCMVAEFQQCRB-UHFFFAOYSA-N 433.328 0.358 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1nc2ccccn2n1 791244074 UPWAMDMZRFYSGO-HNNXBMFYSA-N 446.489 0.902 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3nc4ccccn4n3)cc2Cl)CCN1 792394944 UHNSZYWVYBTKCS-UHFFFAOYSA-N 428.840 0.401 50 20 ICGD CN(C)Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1Cl 799258642 JALYDUIKYIRYMW-UHFFFAOYSA-N 442.867 0.777 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)NCCc1cccs1 802722073 PGRRYIZUKZOARN-UHFFFAOYSA-N 433.533 0.895 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1c[nH]c2ccccc12 914603598 QSMNRHFXHAIIOA-UHFFFAOYSA-N 429.414 0.184 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 914832362 WWJYHAZLCXODGL-UHFFFAOYSA-N 438.462 0.182 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNc2ncccc2C#N)c1 916641349 XORWXJSIKOUGCY-UHFFFAOYSA-N 431.478 0.260 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)c2ccc(Cl)nc2)c1 917747090 NRVHAZDQSGKHGN-UHFFFAOYSA-N 427.822 0.932 50 20 ICGD CCN1CCc2nc3ccccc3c(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2C1 919888560 FWUVCVOVIODJOR-CYBMUJFWSA-N 431.518 0.744 50 20 ICGD Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919890059 ZGOQOFQEOVOLSU-CYBMUJFWSA-N 438.535 0.494 50 20 ICGD Cc1nn(C)c2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc12 928984105 TVHXTINIBCWKPC-MRXNPFEDSA-N 425.401 0.421 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778823517 RDOVSFCDISUJDF-YFKXMMLCSA-N 428.327 0.682 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3oc(C)nc3C)C2)C1 1779586438 KOHGVHPLUIMXGV-GQBLCDNYSA-N 442.476 0.869 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1780320898 GVXJIVWRGPVQAV-HNAYVOBHSA-N 425.869 0.302 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1781786506 BITOGBYWSLBZAI-HSZRJFAPSA-N 433.273 0.190 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784106047 MAJZHOBDZSRJRG-CYFREDJKSA-N 449.511 0.859 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1cccs1 1784378961 XNYUQVJMYWPLFG-SZNDQCEHSA-N 443.529 0.994 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406464 ULDGYWJDDPZAJZ-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407735 QCMCSRKYWOZFRP-MRHIQRDNSA-N 435.315 0.367 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2c[nH]nc2c1 1787317901 ZYWCTUJKSDKWHA-CUWPLCDZSA-N 448.288 0.150 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939620 AQSGQYRKAXGADI-VOAKCMCISA-N 437.298 0.501 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)Cn3ccnn3)cc2)CCC1 1788291280 NBWJWFRHQQMDQD-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD Cc1cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1788675819 PTGUCZIXFBAGRT-SCHHVTGUSA-N 433.509 0.349 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926440 YBYOQXNDNTWERF-VLJOUNFMSA-N 437.310 0.364 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1790177090 NNKYXXLTCGPPNE-AYGWYOGXSA-N 440.324 0.613 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1790961729 PKPQBVIBEFIMFP-YHQUGGNUSA-N 434.331 0.202 50 20 ICGD COc1cncc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1 1794326524 ISLYYYDGCNCKFR-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2)c1cccc(B(O)O)c1 1795740693 IRRAJHVHESHZSQ-ITEKTMBMSA-N 434.301 0.373 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(Cl)c1 1795741092 ZCBOHOCHFHJNAF-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797068378 TZWCCQSCPJXGMZ-KPEUIFRASA-N 448.907 0.460 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)ccc1F 1798791320 PAKUNZMVGMQVCG-HBCWATKFSA-N 430.216 0.162 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1799276245 IOJIRBMGRAXPGL-AZGFTEDZSA-N 429.304 0.846 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800135040 NHVRNRQQKHHJPD-NJBDSQKTSA-N 440.273 0.855 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801228291 FPWIILJMSYXAGN-KLHDTODFSA-N 428.493 0.799 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)c(=O)[nH]c1C 1803141719 RLJKBXPDJYOTGL-HLLBOEOZSA-N 433.896 0.701 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccnc2)[C@H]1c1cccnc1 1805879761 BOBWYSYCHXJXOO-OXJNMPFZSA-N 448.487 0.296 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364126 PCIMVMUSBVMXKE-MTOHEIAKSA-N 438.337 0.454 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366392 YXCPIMQHPDSGNI-MJGOQNOKSA-N 431.261 0.185 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373259 RAMFKKBNXOBQAA-BSIFCXSSSA-N 438.337 0.421 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1810423259 YRJQTESKTGMFER-PGRDOPGGSA-N 447.304 0.355 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812886815 ACCPNJOHXUXVMR-IWTFSIHTSA-N 449.316 0.649 50 20 ICGD N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815360558 JCIRYTQPLMPQOF-AWEZNQCLSA-N 435.274 0.562 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817470035 GIYYWRDZWHOAIS-VQIMIIECSA-N 438.249 0.722 50 20 ICGD Cc1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477056 XTGOXNWMRUJAMD-QGZVFWFLSA-N 434.265 0.808 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](Cl)COC)CC2 1819473094 PESGAZPQKOYJTM-UINNMSKDSA-N 434.902 0.373 50 20 ICGD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)cn2[nH]cnc(=O)c12 1820116607 PODUNIRFOXSUTD-UONOGXRCSA-N 447.883 0.960 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)Br)n[nH]2)N1 1820931150 LNAUBPHERNYLIA-HOTUBEGUSA-N 445.249 0.690 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826379275 HUKFNCMBMSLYHA-GOSISDBHSA-N 445.520 0.872 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830357743 FPPWRGXZLKKJCK-IBGZPJMESA-N 427.885 0.421 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537036 ANFDNPMCRZNBOV-APPDUMDISA-N 445.314 0.666 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1830544079 MXKMASMDGONWQB-LBTNJELSSA-N 446.342 0.000 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831697162 QKGQWEPZESIQON-SCLBCKFNSA-N 448.358 0.389 50 20 ICGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1833366425 CXKSZALBQHGTIU-SFHVURJKSA-N 425.961 0.442 50 20 ICGD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1833568288 SSSMQRLARWFWJT-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835125423 QOHRUNBJFZRFDK-RDTXWAMCSA-N 430.977 0.679 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836411881 BQZUEXNSWTWLPM-IFXJQAMLSA-N 439.852 0.604 50 20 ICGD CC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1836666649 LSLLDUTZJKONTJ-WWJLXRQJSA-N 447.536 0.890 50 20 ICGD O=C(c1cnc(O)nc1O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717435 BHOOXZHLLVYTHI-CQSZACIVSA-N 428.873 0.100 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1836751430 PTPRREKRDUNFEL-VVBPWWLESA-N 445.520 0.191 50 20 ICGD N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837795402 YRLAGIUQWZGUQT-UHFFFAOYSA-N 428.493 0.601 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839351600 MPBGOYCHBAJSAE-GOSISDBHSA-N 430.288 0.659 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839963144 BEYRDJJBAIHFMX-RDTXWAMCSA-N 443.294 0.883 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1840030425 LTBXOWOKTFVTSM-GRDNDAEWSA-N 429.315 0.684 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCC1 1840185104 LARKGGVSBGNRAH-NRFANRHFSA-N 438.569 0.642 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cncn1 1840418898 NMOLDLOVYLQLEO-MAUKXSAKSA-N 425.562 0.147 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421295 NWWJRECHMQQMRP-HEHGZKQESA-N 430.303 0.079 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841571218 IBQYWFOLLIGRQM-RTWAWAEBSA-N 434.301 0.996 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841748946 CKJVWEWFIMYHPT-MCIONIFRSA-N 433.933 0.718 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1842250611 WSDHINICSQJMNB-UHFFFAOYSA-N 425.493 0.767 50 20 ICGD O=C(c1ncccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011676 DYFDCVYXLJUXBN-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cn3cccnc3n2)C1 1844040160 NAJSEFLBLFZXMG-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1845170184 DCGAXYAKYJMSML-OAHLLOKOSA-N 435.333 0.891 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846211926 WTTDUJLSGLYFQF-STQMWFEESA-N 447.916 0.246 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Br 1847512507 PDIONPGSPUGRPV-BJDJZHNGSA-N 438.294 0.764 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847855158 AUHHUVUZUXYSFS-NJAFHUGGSA-N 444.536 0.046 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cc(Br)c[nH]1 24124001 WUJOIGPFOZVTCG-UHFFFAOYSA-N 446.261 0.610 50 20 ICGD CC/C=C(/C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 109508796 DBLLHUXFFFQHCG-DHDCSXOGSA-N 438.488 0.932 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728151406 AVMOWISDPJBZMM-LBPRGKRZSA-N 427.552 0.688 50 20 ICGD C[C@H]1CCCN(C(=O)C2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)C1 728944890 NVKOVPDFGKILLK-HNNXBMFYSA-N 440.508 0.987 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3(C(N)=O)CC3)c2)cc1 731596138 VIFVWBPWQHDPCE-UHFFFAOYSA-N 432.458 0.523 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1C[C@@H]1CCCO1 732157504 VRKUCNDLEWDNGU-MSTPFNHUSA-N 443.548 0.756 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc2O1 751538210 GKXMLXKPQGQUCQ-GOSISDBHSA-N 448.453 0.948 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 753564285 DPJDXEKLMUDMDD-LBPRGKRZSA-N 425.463 0.956 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)cc2C1 755054441 AEOXPFSRWGCBRR-WDEREUQCSA-N 425.536 0.734 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 758035938 OOWKWUNPNNNTAO-LLVKDONJSA-N 426.882 0.249 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)C(=O)Nc1ccccn1 758830995 MGWAENZTBHHYIE-UHFFFAOYSA-N 445.501 0.415 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cc2n(n1)CCCO2 762085790 FACWTAMCPYTUGY-UHFFFAOYSA-N 432.912 0.898 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccccc1S(C)(=O)=O 763438538 ASJDKTRFGDBYEP-UHFFFAOYSA-N 435.524 0.705 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 763466188 FLZGKPSKSDZETR-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 763622455 DSIYXCBCIDKRQF-UHFFFAOYSA-N 434.474 0.556 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2OC)c2ccccc2c1=O 763787366 YONDCGVFWMASLV-UHFFFAOYSA-N 427.392 0.964 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(F)ccc2OC)c2ccccc2c1=O 763787386 ZDOJDXKZNGSFCN-UHFFFAOYSA-N 427.392 0.964 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2C)ccc1S(=O)(=O)N(C)C 763958820 YPIMZNRNJAUVEC-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 764002560 NWENTFJYTZUQKX-AWEZNQCLSA-N 445.501 0.345 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 764136021 LQOIHOJNXKNGHN-UHFFFAOYSA-N 437.250 0.485 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1 764235082 QBXODEHUQHOYMT-UHFFFAOYSA-N 445.432 0.538 50 20 ICGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)CNC(=O)c3cccnc3)sc2n1 764345853 ZEGLXTLUIRZORD-UHFFFAOYSA-N 444.473 0.741 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 764366762 FKGXFWLFFKVKHY-UHFFFAOYSA-N 425.445 0.515 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cn1 764387147 NTENZIKDEGPADK-UHFFFAOYSA-N 425.449 0.936 50 20 ICGD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)n1 764434596 QSQRUBZCAIHAFC-OAHLLOKOSA-N 431.474 0.746 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 764827964 NPRHUPDQMJEJIU-UHFFFAOYSA-N 449.467 0.688 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 765322167 HTDADWZSDBGKFU-UHFFFAOYSA-N 438.506 0.664 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2cccs2)[nH]n1 768263264 OTKIKELCCWDWKS-CYBMUJFWSA-N 432.506 0.080 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1O)S(=O)(=O)c1cccs1 772016490 OMDFYKNDXNZZCC-UHFFFAOYSA-N 428.492 0.484 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Br 773662963 XHBZGHPONKUWDC-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNc2ccc(F)cc2Br)n1 784803339 MATFGDRFKFXVAR-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCc3ncccc3S(C)(=O)=O)nc21 787387275 MYZDYEWALHNSQF-UHFFFAOYSA-N 434.482 0.912 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 787815249 ZNROIIFJZMEJCU-UHFFFAOYSA-N 444.510 0.649 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 790068998 RGFQNMCVCVSEPQ-UHFFFAOYSA-N 448.929 0.665 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 790381779 AJNXMRHBVQFION-UHFFFAOYSA-N 440.503 0.034 50 20 ICGD Cc1c(NC(=O)C(=O)NNc2nc3ccccn3n2)cccc1S(=O)(=O)NC1CC1 792396174 YILPNPZYTPIXOC-UHFFFAOYSA-N 429.462 0.560 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 792798630 PDMJQRSDMOSWPG-MRXNPFEDSA-N 438.440 0.315 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(OC)c1 793732427 ZALUNZDKDRRQRD-LJQANCHMSA-N 434.449 0.541 50 20 ICGD Cc1oc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1S(=O)(=O)N(C)C 794072031 PGJUMSYUUVUENP-UHFFFAOYSA-N 438.462 0.526 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)n1 797369918 QGAHXHCHVMQISN-UHFFFAOYSA-N 430.852 0.379 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802470072 WAFNIXIFEDLINY-CYBMUJFWSA-N 443.416 0.924 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806975721 MFPBRMSTXOEBFY-HOTGVXAUSA-N 436.468 0.792 50 20 ICGD O=C(c1cnc(C2OCCO2)s1)N1CCN(S(=O)(=O)CBr)CC1 807196635 MSCYYUWABDGOKH-UHFFFAOYSA-N 426.314 0.629 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 810307721 GVVKRMPORLFRLK-UHFFFAOYSA-N 449.272 0.442 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCCN1C(=O)OC(C)(C)C 814877761 YTNWMIKUUFRYKK-ZDUSSCGKSA-N 447.496 0.325 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815779799 WJNRIZQGTXOHQX-MRXNPFEDSA-N 438.506 0.372 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816885914 LMRILFZSQLBQCI-CYBMUJFWSA-N 436.494 0.217 50 20 ICGD O=C(COC(=O)Cc1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 846742975 SAVRGNNXFGBWDH-SFHVURJKSA-N 428.397 0.531 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 863999738 GSEAHBAGPYFCJZ-UHFFFAOYSA-N 449.485 0.793 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cn2)CC1 916245478 BPADTFYTTFKYRE-SFHVURJKSA-N 426.477 0.504 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2cn3ccccc3n2)cc1 916245871 HMKSPFNLVHKYIE-UHFFFAOYSA-N 444.517 0.836 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(C#N)c3)nc2)CC1 916406562 ACGLWTUOPOWNNX-UHFFFAOYSA-N 429.506 0.716 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 920239208 WRKJWJVSNLVQEF-GFCCVEGCSA-N 430.483 0.080 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 1319252840 PPHIWWXXDWVVRX-SJORKVTESA-N 439.538 0.804 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 1321910521 QBTCUJDFKHZOBH-UHFFFAOYSA-N 436.513 0.566 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778748255 LNBCEEHCKMABPB-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD CCc1cnc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1779303276 NMXQKZUEJMFDGL-HXUWFJFHSA-N 429.307 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(O)nc2)C1 1780130817 HLKQMFVGZIPCIT-IIBYNOLFSA-N 433.509 0.288 50 20 ICGD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1780725724 NUDIMVUPPLHPKH-QHCPKHFHSA-N 437.305 0.190 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2)NC(=O)NCc1ccccc1 1780968941 IXRKHJJAYIAVBG-QFIPXVFZSA-N 429.521 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781347917 NYBKGKWOWZPELN-INIZCTEOSA-N 431.331 0.117 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1781900467 RBCRASDUTVEIRA-HBUWYVDXSA-N 444.374 0.514 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249242 AIIWRNUBFCYXCG-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1782667724 DBFGVQZSTJBLDR-HRAATJIYSA-N 448.596 0.881 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NO1 1784401512 VTATWMXDAOKSQU-AEIBSFOJSA-N 435.908 0.759 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785172872 VDSAONSCZQUSSK-QAETUUGQSA-N 438.912 0.045 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnn(-c2cccnc2)c1 1785724704 YSAFDNSZJNRONK-MGHWNKPDSA-N 433.896 0.460 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccc1F 1786984655 VLEQADBMLIGJBY-KNBMTAEXSA-N 441.268 0.116 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CCC(CC3)CC4)C[C@@H]21)c1cccc(B(O)O)c1 1786986483 FNCDXWXGUQTREG-HVLHEWCSSA-N 440.349 0.930 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cc2NC1=O 1792980763 MKSMNBOHOGGNQL-SGJPCXMMSA-N 437.880 0.209 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795295266 YMVPWZOYOPDBMB-VPTLXERWSA-N 444.243 0.091 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2)c1ccc(B(O)O)cc1 1795736774 FWKFHMJYVULOJF-VPTLXERWSA-N 444.243 0.091 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848567 OTJCIUVKOTYAAY-MCYUEQNJSA-N 428.283 0.382 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 1798728963 RHDGFKBKNVZKFB-KPEUIFRASA-N 433.896 0.724 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1800640271 OJJGIOQWRAVBNW-OPDFLTKYSA-N 425.345 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CCCC3)C2 1801011557 SYBSURYGLDEPMS-HBCWATKFSA-N 433.509 0.130 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803551704 AVHWMVHWSJUPJH-PLMTUMEDSA-N 429.521 0.499 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804808598 SUNDWWZQOKDKAZ-YSVLISHTSA-N 431.880 0.495 50 20 ICGD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805854226 NYBBNGBINUKNPU-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1806766426 MRJBUWODKKCKAL-BBRMVZONSA-N 432.340 0.917 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1806850749 BBRIXVHQHRBLRE-YJBOKZPZSA-N 433.472 0.703 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnn4ccncc34)CC2)C1 1809972385 NMPURYNBEQVJKQ-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810539740 IKUWOTRPHRWDDM-DNVCBOLYSA-N 447.568 0.491 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1812323777 JFGSQDXBSJSCKU-GMBSWORKSA-N 433.896 0.816 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1812863703 KIDAERBSEWOWEA-ATVPRXPUSA-N 440.342 0.464 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C2(F)CCC2)[C@@H]1c1cccnc1 1813681625 DNMTWCWEZDSKKV-HKUYNNGSSA-N 425.269 0.973 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479376 LWUYXUVMUITRCD-GOSISDBHSA-N 427.314 0.736 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820150024 XJKNFQBICAGYFA-NEPJUHHUSA-N 436.538 0.119 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Br)CC2)C(=O)N1 1824973555 UUXXDWHBBVTXEH-IUODEOHRSA-N 447.305 0.848 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720099 STKLEHNNTJEGNG-XLIONFOSSA-N 441.311 0.748 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830725207 HEYMKIRLEYYMPV-LAUBAEHRSA-N 440.924 0.602 50 20 ICGD CCSc1cccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731656 LPJWEPAFMOXVLZ-LIRRHRJNSA-N 443.953 0.863 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834417943 ZRBIHTBLVQDJSZ-GUYCJALGSA-N 429.315 0.756 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cncn1 1834826272 ITUZLIYFIIWLHX-CJNGLKHVSA-N 430.303 0.081 50 20 ICGD O=C(CCOc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834827175 ILIGSUIGDWZYSS-FXAWDEMLSA-N 426.897 0.512 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835805318 AAMNOURFRSEDFR-PBHICJAKSA-N 426.949 0.086 50 20 ICGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1835833372 BTBYCMOYPVFFFQ-QGZVFWFLSA-N 442.633 0.472 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1836282274 LGIAMHFROGJEFH-YVEFUNNKSA-N 429.315 0.826 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837640250 IQDAGXNNQCMROS-BEFAXECRSA-N 427.933 0.636 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967986 MUKIRYNLQCVWOD-KRWDZBQOSA-N 433.340 0.908 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1838395329 DAICYKJJRFZSDV-IBGZPJMESA-N 445.520 0.476 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838827578 WAGYKDJTGOEESZ-IUODEOHRSA-N 449.233 0.683 50 20 ICGD O=C(c1cccc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198023 QBZKZSUEZMQKHP-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)o1 1839199828 VMMGTAKLLINNQD-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839648104 SNEYPTHWHHNORS-NHCSIYGUSA-N 436.336 0.719 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886088 IQPSNRODEIADHV-PBHICJAKSA-N 434.331 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839963907 AAFINKHZDOLYFE-WMLDXEAASA-N 429.315 0.513 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839967011 WQPFXGKMPFVLLQ-RVKKMQEKSA-N 434.375 0.957 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840151751 NBLJTPQHCCKPTF-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1844790838 CQTJCPNOSFCIDY-UHFFFAOYSA-N 437.261 0.069 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnco1)C2)NC(=O)NCc1ccccc1 1845038190 BXYHFOMBGGZTBS-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2c1 1845581524 ZEXXHWQELSHDDS-UHFFFAOYSA-N 429.245 0.245 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCOCC1 17573484 MGCIALZWIQHAQF-UHFFFAOYSA-N 435.458 0.497 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 24757370 GRSNKVSWYSNPIT-UHFFFAOYSA-N 441.487 0.331 50 20 ICGD Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 26633770 HBKKTCAETWBISH-JTQLQIEISA-N 439.266 0.682 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](C)N2C(=O)CCC2=O)c2ccccc2c1=O 727724124 WCHRNAXOQTVXOP-CYBMUJFWSA-N 427.461 0.885 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc(-c2ccncc2)no1 728073820 TUSRCXIGYCRROU-UHFFFAOYSA-N 433.450 0.248 50 20 ICGD Cc1c(NC(=O)[C@@H](C)SCC(=O)NNC(=O)CN(C)C)c(=O)n(-c2ccccc2)n1C 733359284 KHQNGVBWXPSSBH-CQSZACIVSA-N 448.549 0.254 50 20 ICGD O=C(NCC1CCSCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 733653320 GCHJZASTJNBGTM-UHFFFAOYSA-N 442.563 0.795 50 20 ICGD COc1ccc([C@H]2[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CCC(=O)N2C)cc1 734321391 HEIRAPYKVKPUAL-KXBFYZLASA-N 428.445 0.775 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)NNC(=O)C3CC3)n2c1 742452134 GTCUPTDTAIJRSC-UHFFFAOYSA-N 426.524 0.409 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCOCC3)c2)C[C@H](C)O1 745992997 RMANVTVNLZULLE-KBPBESRZSA-N 426.495 0.171 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 753451049 DOTCXLDDUFAPME-LBPRGKRZSA-N 430.856 0.705 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 755040593 LVJKZUZCUQJZPX-SNVBAGLBSA-N 431.927 0.680 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 758050761 CNKHNWOSIMIXAW-NEPJUHHUSA-N 425.536 0.598 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 762361034 LCJXEIHVEVXIDG-HNNXBMFYSA-N 436.534 0.115 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 762370330 JWNXGBYUXSMAPN-UHFFFAOYSA-N 438.487 0.221 50 20 ICGD CC(C)(C)OC(=O)N1CC(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 762530203 VUUHEHMJEPUFHA-UHFFFAOYSA-N 440.526 0.791 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)n2)cc1 762905824 IGWNVGPRUXFNGM-UHFFFAOYSA-N 429.462 0.347 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 763471016 BJTMGSQYUSDYQQ-OAHLLOKOSA-N 428.357 0.323 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)cc1OC 763550005 CYVQWFMUTXKUSY-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CCCn1nccc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797246 ZUOHCEOAVNIIBY-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763848998 GUGWCUIGYSGRAK-LBPRGKRZSA-N 429.408 0.909 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1-n1nnnc1C 764349361 KBWYNKJTUPDJRS-UHFFFAOYSA-N 445.823 0.738 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 765119306 OAAREKPGFDJYTL-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C)s3)CC2)cc1 766637167 ZIPTVKCVMOXTSK-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 766661636 GCWSLDAJZDMGQU-HNNXBMFYSA-N 434.474 0.704 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(C)ccc2S(N)(=O)=O)c2ccccc2c1=O 767191923 MZBPTNOSHYIAAV-UHFFFAOYSA-N 429.458 0.447 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 770239190 HZQWZGZXDCEZEZ-WUKHSURWSA-N 435.575 0.648 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)c2)CC1 770771966 QPBIDRXIKBATLN-UHFFFAOYSA-N 441.488 0.699 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 782888001 VAVQAQOTBXZMDL-UHFFFAOYSA-N 449.515 0.654 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 785099628 JARMFFOFFYDADL-UHFFFAOYSA-N 449.418 0.803 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 787541718 VGOVDEWUSYJYDH-QGZVFWFLSA-N 439.428 0.451 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNc1nc2ccccn2n1 791244075 UPWAMDMZRFYSGO-OAHLLOKOSA-N 446.489 0.902 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)cc(OC)c1OC 802032393 QWLQEIIITKSPHS-GFCCVEGCSA-N 429.433 0.735 50 20 ICGD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)cn1 802567552 YHYWUDYPPWMWPP-LBPRGKRZSA-N 449.489 0.089 50 20 ICGD O=C(NCCC1(O)CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 807448476 PXBHDPUQUSTYSE-UHFFFAOYSA-N 440.522 0.347 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 812732221 XDYQLADZBQCZHH-KRWDZBQOSA-N 430.490 0.500 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNc1ccccc1 825130974 MPLUXBVTZHMGEQ-OAHLLOKOSA-N 434.474 0.514 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)cc1 825554872 XVWZEBRIPYUVHN-UHFFFAOYSA-N 444.492 0.528 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1C 916562042 KRFCMIDHAOKTHM-UHFFFAOYSA-N 443.485 0.518 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)N[C@H]1CCS(=O)(=O)C1 919961226 XXFOTJGBGGRLAE-QMMMGPOBSA-N 446.732 0.782 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](B(O)O)C3)CC2)cc1OC 1118916862 YJAYHMXZHBUTGK-AWEZNQCLSA-N 426.300 0.180 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(C)(=O)=O)cc2)cc1 1261205103 PARMZUJQZWCMQM-UHFFFAOYSA-N 427.504 0.910 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccnn2C[C@H]2CCOC2)c1 1325802455 DDSNZTZBZHPLQD-CYBMUJFWSA-N 436.494 0.636 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCC3)C1 1779124553 MTYRBPGJQDUYBG-XMSQKQJNSA-N 446.552 0.330 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cncnc3C)C2)C1 1779666928 HUZCDKPSAIPSST-XAOCGEIJSA-N 439.476 0.363 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@](C)(Cl)CCl)C4)C3)CC2)CC1 1781234883 RXODUEBZBIOJIV-RBUKOAKNSA-N 447.407 0.833 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782002753 VULOLSCATRPARX-VEVIJQCQSA-N 442.310 0.209 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1782439927 FLZPOPWBLMVVLU-XTQVGHSUSA-N 439.321 0.557 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932999 ADDAYOGWIFCTRH-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C[C@@H]21)[C@@H](O)CCl 1784091154 KKKQHZABHUIMGZ-USJZOSNVSA-N 433.896 0.665 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1784615187 BPZYWLBKWDKDEW-ZJOBFFGXSA-N 437.928 0.627 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Cl)n3)[C@H]2C1 1788877681 HTKZFFILFKJNGL-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)c2c1 1790327860 CZVWDDGUCAILKD-SDNTUTLCSA-N 431.880 0.628 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1791057039 MEWRSLZAIYJBJM-OSFYFWSMSA-N 426.311 0.762 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21)C(Cl)Cl 1791296690 UQALPXBUBNDGRX-GVXVVHGQSA-N 440.287 0.487 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(O)c1 1791927858 WFSFZBDQNLNJPR-IEZWGBDMSA-N 432.521 0.667 50 20 ICGD COc1ccc2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)c[nH]c2c1 1793029303 RBSWLVIMWJCHJH-ZZXMYQEDSA-N 435.908 0.908 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797451039 LSIHOSKXDWBDEO-KYZVSKTDSA-N 437.880 0.475 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1)C2 1797753035 QVPRXRLGALHJHC-ZSBFGKGUSA-N 427.436 0.341 50 20 ICGD O=C1NCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)ccc21 1799349748 KGMQEPJAYVUDOB-NEBZKDRISA-N 440.269 0.824 50 20 ICGD CCOc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1 1799486169 NKXADKYYQBMEGS-BTTYYORXSA-N 439.476 0.439 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885379 FXKKUKIFVFKAPQ-YXPYIKCWSA-N 431.880 0.892 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(c1)C(=O)CC2 1799959216 OWCJIKKGCMLKFK-OPMZPASUSA-N 448.284 0.012 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1800978830 LNXUQEFOZYNYIS-QKPAOTATSA-N 433.896 0.929 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801511633 AAURPKREZJKTPF-QETPJRQFSA-N 449.533 0.336 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnco2)[C@H]1c1cccnc1 1803863273 QPSJNAZGHPNADY-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1805948438 RJRNWYRUQGMIDE-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Br)[C@@H]1c1cccnc1)C(=O)O 1807210251 XYNBJRYEZSZNFC-YYWXWVFPSA-N 441.326 0.934 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CCC=CO1 1810258055 JUKRWROFLYYPFS-CEWLAPEOSA-N 435.289 0.774 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812310820 IMPWCZGJTYKEGU-BSIFCXSSSA-N 438.337 0.421 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470531 UNJFPBSGPTZRFF-SJLPKXTDSA-N 428.298 0.802 50 20 ICGD Cc1nccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1818320944 LELPZCDJRQWUAX-GOSISDBHSA-N 434.265 0.808 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CO[Si](C)(C)C)CC2 1819468154 QBKPXWVJGVQHGY-BMIGLBTASA-N 444.586 0.971 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cncn1 1822416424 CZPCDEZKHJWLMU-UKRRQHHQSA-N 431.501 0.628 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416462 DKIGBSRYLDZNPJ-BYIUCRAPSA-N 433.513 0.815 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822846451 ZGQGCVMJWUAZPF-HTQZYQBOSA-N 436.885 0.512 50 20 ICGD O=C1OCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824332233 BMEQBPDRSWUPIE-LJQANCHMSA-N 443.309 0.052 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824534440 VABJPYLSORCSMK-SFHVURJKSA-N 437.585 0.894 50 20 ICGD Cc1cc(C)n(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080581 SMHYVXKVHRJFPI-CQSZACIVSA-N 447.565 0.942 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364455 LQJUOZPBPAAATJ-MGPUTAFESA-N 439.944 0.998 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1830532994 CVHBVOGYVKARRU-IIDMSEBBSA-N 443.342 0.932 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994977 RBJQLTFITVPHOP-SCLBCKFNSA-N 449.342 0.958 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nccc4nc[nH]c34)CC2)CC1)[C@@H](O)CCl 1833310877 XIBGXBOXCZQJNL-INIZCTEOSA-N 434.928 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3nc(C)no3)CC2)CC1 1834852681 IYNJHVZAFYXZCD-MRXNPFEDSA-N 427.933 0.746 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835073080 WXOBWLUYEIKDTG-CQSZACIVSA-N 439.887 0.922 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835125420 QOHRUNBJFZRFDK-KBXCAEBGSA-N 430.977 0.679 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)s1 1836078698 DEOQFWSIUSJPQW-INIZCTEOSA-N 447.355 0.630 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C(=O)C3CC3)CC2)CC1 1836686997 WNTMLKHQSOJENV-UHFFFAOYSA-N 443.504 0.276 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848915 YNASVSGCDINKAT-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850840 DXHGCXZDWSYWDD-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138442 GOMNRARUMNMGCQ-BTYIYWSLSA-N 449.891 0.909 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268548 DZEIAHWSYZJQQV-UGSOOPFHSA-N 428.921 0.183 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837689219 RHTRCQKDYINFNJ-FTRWYGJKSA-N 425.913 0.883 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478520 NIVNEBKEJPLQKI-AUUYWEPGSA-N 425.869 0.898 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)N1CCN(C)CC1 1839101837 URIKLASRMGYHHE-UWJYYQICSA-N 445.004 0.344 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839153862 UAMLQZKAZZQNPF-DLBZAZTESA-N 449.339 0.012 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840151137 VXQOITRZVLBOSQ-KUHUBIRLSA-N 434.917 0.428 50 20 ICGD O=C(CSc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187924 FQBSDVIFGZADIU-MRXNPFEDSA-N 435.333 0.829 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1 1840904697 OVJYSDAWRDBCCE-XLIONFOSSA-N 441.887 0.716 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cncc(C(F)(F)F)c2)C1 1844545257 YNBLUAVCHAOKNY-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)[C@H](Br)Cc2ccccc2)C1 1845942242 UQAHKNSCBQZGAW-BBWFWOEESA-N 436.350 0.919 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847565763 XFEDRDKYNMGWIK-QTVXIADOSA-N 431.917 0.016 50 20 ICGD CCCNC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847742787 JOAJPCSOFVYMCM-SNDWWJHWSA-N 430.509 0.629 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 25416581 BUUNWQJXHKBGND-AWEZNQCLSA-N 434.474 0.340 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 27741645 MUIFRHIXIDDFNN-IBGZPJMESA-N 429.364 0.962 50 20 ICGD COc1ccccc1[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1nccn1C 725872709 RAADBKFWWGURQO-QGZVFWFLSA-N 426.433 0.872 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CSc2ccc(Cl)cc2)cn1C 725878302 RPHVBCKPYGSGEG-UHFFFAOYSA-N 431.927 0.600 50 20 ICGD Cc1ccc(C(=O)N2CCC(NC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 727606598 QQNZHGNEFPBMKZ-UHFFFAOYSA-N 427.461 0.953 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 728828135 MMHQYTCUWRSQOW-UHFFFAOYSA-N 432.433 0.793 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728959936 SNGKARYESWHZIA-UHFFFAOYSA-N 426.481 0.434 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1 730074102 UBUHXAHMJYSAHD-AWEZNQCLSA-N 442.563 0.646 50 20 ICGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 733122988 LUFVHQUARXYLES-UHFFFAOYSA-N 434.499 0.966 50 20 ICGD Cn1c(CCC(=O)NNc2cnccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 734245086 GSPSOVPHZOCNRG-UHFFFAOYSA-N 445.505 0.460 50 20 ICGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117362 SNFGXQDQWFGOSJ-ZDUSSCGKSA-N 435.554 0.615 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccnc(N(C)C)n3)cc2)CC1 740114147 QPPCUFYFRBSHID-UHFFFAOYSA-N 447.521 0.152 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 740852009 GUCSVWFPDWWRLQ-UHFFFAOYSA-N 443.526 0.144 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 740853016 RQAVGZZNVSJNNG-UHFFFAOYSA-N 448.339 0.816 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)Cc2ccncc2)CC1 747501208 YQSVHSRZNZPXLU-UHFFFAOYSA-N 446.533 0.091 50 20 ICGD O=C(NNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H]1CCS(=O)(=O)C1 747713045 NRSMGWJESGEZQP-JTQLQIEISA-N 425.448 0.849 50 20 ICGD CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NNC(=O)C(=O)NC1CC1 747862294 CCOCKVNEWKKKOV-INIZCTEOSA-N 429.502 0.512 50 20 ICGD CN1CCN(c2ncc(C=NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cn2)CC1 755507159 BAUZQXVOLGPFSW-UHFFFAOYSA-N 431.522 0.243 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 755536800 UURBSFBMQFVRLA-ZDUSSCGKSA-N 437.478 0.791 50 20 ICGD COCCCn1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 756658167 HKCBWMDIQONYKD-UHFFFAOYSA-N 438.510 0.701 50 20 ICGD COC(=O)c1c(F)cccc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 757650177 IOFRYJOASVHFHH-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 758050767 CNKHNWOSIMIXAW-RYUDHWBXSA-N 425.536 0.598 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)CNC(=O)c1ccco1)=NO2 760223179 SABFRVAVHHAOSN-UHFFFAOYSA-N 449.464 0.703 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 763575011 OMELDEXEJJSMAH-MRXNPFEDSA-N 430.392 0.453 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 763660354 AJBRFKLNKHJZQB-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)cc1 763662498 WPWHFFUIYCKDMB-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD COc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763717917 CQWDECPGDZNNRZ-UHFFFAOYSA-N 445.457 0.217 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(C)c1 763812585 HDKYWWBUSNZHHW-UHFFFAOYSA-N 440.412 0.583 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cccnc1N1CCOCC1 764260342 VOQKOBKPXRLZJS-UHFFFAOYSA-N 435.387 0.919 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 764342323 MPFBQLNIDSUBOM-UHFFFAOYSA-N 435.506 0.823 50 20 ICGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 764345843 YRZXTBDYGQCXGH-HNNXBMFYSA-N 428.468 0.309 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)COc1ccccc1O 766799102 GTGXUISZXIBOTR-UHFFFAOYSA-N 429.838 0.298 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cnn(C)c3)n[nH]2)c1 768264476 JYCDMZADVLERRQ-UHFFFAOYSA-N 431.478 0.167 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2=O 768565956 NFMNAPLKYSYPIF-YCRPNKLZSA-N 430.461 0.865 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)nc21 770959515 WVTWVSDCGWGFKE-UHFFFAOYSA-N 432.466 0.228 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CCc2ccccc2O)C1=O 771261874 YLYIIJWVZYNKPH-JOCHJYFZSA-N 440.456 0.948 50 20 ICGD CN(CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 778704821 FMGBUOBXEUIPBE-UHFFFAOYSA-N 435.528 0.224 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CCn2ccnc2C1 779664941 FMOFAQFLYDONAJ-OAHLLOKOSA-N 432.506 0.627 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCn2ccnn2)cc1 782828899 BEUKEHVBOKLASA-VBKFSLOCSA-N 434.460 0.749 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)nn1-c1cccc(Cl)c1 783424553 FNUSBVREFGESNU-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD CN(NC(=O)CCC(=O)N1CCC(O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783703703 CETOLVXPAWVHPI-UHFFFAOYSA-N 441.529 0.386 50 20 ICGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002969 YPMAXOGQARTQTF-JXMROGBWSA-N 428.401 0.372 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 784834014 QPJMNJSTYCALCJ-CHWSQXEVSA-N 445.436 0.509 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C 787542119 GFSBEKAJRQXSRP-UHFFFAOYSA-N 425.445 0.862 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](COC)[C@H]2CCCO2)c1 789336185 VHHOXSBSYOXEBF-IAGOWNOFSA-N 442.538 0.855 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNc1nc3ccccn3n1)n2C 791258331 SSMFDHBPYSTEBP-UHFFFAOYSA-N 442.505 0.942 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 797368977 KRHNIGSUOIDZGT-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD Cc1ccc([C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H](C)S(C)(=O)=O)cc1 798059326 JGDFAEZDYDOJPD-CXAGYDPISA-N 436.490 0.823 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)nc1 800748780 MPEYJCGYCDSWMW-JSGCOSHPSA-N 448.571 0.112 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c2C1 803839474 VEUUGVIGLRYRMH-HNNXBMFYSA-N 438.444 0.071 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)(F)F 805140846 QHPPKPBSTSJCRP-LBPRGKRZSA-N 426.417 0.356 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)c1ccccc1C 806975548 DYMXGXGIOJYGSF-UHFFFAOYSA-N 449.485 0.823 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 815827799 OQZAYDKOQRGVSK-INIZCTEOSA-N 431.928 0.459 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC 862090696 CGCFYQBBSHRKBH-UHFFFAOYSA-N 441.444 0.504 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1OC 916517332 RVGBUZIEEUWUOO-UHFFFAOYSA-N 436.490 0.767 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 918002279 YMKLOWOEGZTWGP-UHFFFAOYSA-N 448.505 0.362 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 920933306 STVFYVGPGFOIEA-JTQLQIEISA-N 434.496 0.044 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCC=CO1 1779343364 SYKPDGTXMPDUFN-WOIUINJBSA-N 428.294 0.187 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CO[Si](C)(C)C)C2)CC1 1779544240 PBXPZSMCLRVDEU-WIYYLYMNSA-N 440.661 0.599 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780451094 KSJJLUPTRQCOKU-ORAYPTAESA-N 427.885 0.796 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1781219634 WDAUXWABSCMYGW-NJSLBKSFSA-N 433.933 0.719 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1781226901 CLHWBTJRIXZIBW-MOPGFXCFSA-N 435.396 0.690 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1782179862 WDTDVIDQRFFAQP-NEYJZJCJSA-N 445.004 0.390 50 20 ICGD CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782860887 DWKNKIPNURWSAL-JTVVXKTLSA-N 432.427 0.838 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783933895 KWRSMKVJOWFUBS-JOCHJYFZSA-N 448.568 0.435 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937890 PQYVTCFGKXJALH-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD Nc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)sc2nccnc12 1784089931 MGXGZYXKJZDDFM-YFKTTZPYSA-N 439.925 0.467 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091401 SKZIHJBESROQMC-SDADXPQNSA-N 449.895 0.633 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21 1787508909 RJWMGCSLFXCWLS-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3conc3C)C[C@@H]21 1787509021 XDZNMUDDIDPLPR-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)nn3)[C@H]2C1 1788839939 LRHQOZYRDKKRTJ-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791239479 WGDMPTCKDBJMJI-PCCRXHMLSA-N 442.940 0.975 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1793449854 OOENHXWZCVTFII-ZMMAXQRCSA-N 428.961 0.148 50 20 ICGD CCc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1Cl 1794744146 KJTXKLVORFLEQT-MUJYYYPQSA-N 444.728 0.881 50 20 ICGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)n1 1799344236 CSFBUIOBSBJEJY-OJXGSEEGSA-N 430.274 0.913 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1onc2ccccc12 1799978799 GMGZAYMQVBJLIJ-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800737113 DHFKMDULPIPQQM-YEFSBHDESA-N 447.919 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1C)C2 1800974173 NZPAIGPRCVDDOK-WPVAHCMFSA-N 435.952 0.887 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801380647 GVUPTZOMFBDAJL-NOXHYTERSA-N 431.306 0.860 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803139572 RCASTRZEIXXJEG-NJAFHUGGSA-N 435.912 0.844 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803565459 VRVFASWTYIMOCB-LKUPVBHCSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1 1805476828 PWPPFGAZLVSRGU-CTNGQTDRSA-N 430.273 0.790 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1805729826 SRJBHRNOUWHFQR-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cnn1C 1805928635 GKRXLNJOTSWWJF-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807118187 FYGRAKAHTCLCSA-JGGQBBKZSA-N 437.342 0.711 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071320 QYKQUWJFIWZXMU-UZLBHIALSA-N 427.509 0.806 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072797 FQGMVXZUYGAZEN-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2csnn2)[nH]n1)c1cccc(B(O)O)c1 1817474092 LVMRUPFUEQHKEN-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)C(=O)O 1819404469 NANJNSDRCHLTMK-MEODZPNASA-N 441.448 0.745 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CC(=O)C1)CC2 1819801461 MRLIWPZAWQIEDH-JTQLQIEISA-N 428.474 0.347 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ncon3)sc2C1 1821022799 ATCPJABLNXKUMR-MRVPVSSYSA-N 428.434 0.064 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823079665 OAPUHKIWLLXJQX-WFASDCNBSA-N 444.322 0.850 50 20 ICGD C/C(=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827054726 KCRKPCJNJDJALM-VKNLVWNJSA-N 428.294 0.631 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738440 PMSNNJOLMXPOKB-UGKGYDQZSA-N 436.936 0.848 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424790 MYEAWKKUZSWLSD-OXJNMPFZSA-N 429.945 0.863 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1834408927 KWPBAIRUTVKOPF-GUYCJALGSA-N 429.315 0.756 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835402384 DCFNLXUBOJVJAN-FXAWDEMLSA-N 430.977 0.098 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835406278 YFJOMHFHRMRNTQ-KBXCAEBGSA-N 446.342 0.096 50 20 ICGD O=C(Cc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836158501 MARCLAXUUMYWOA-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cncnc3)CC2)CC1 1837509798 NSWHVCKZVHBJQB-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838288415 WFBGBDRTQXXOLC-IBGZPJMESA-N 445.004 0.486 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839155431 UAFVHXKMZUKATB-DLBZAZTESA-N 434.324 0.361 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839988973 NJCDGDLAXQJBFW-QGZVFWFLSA-N 440.324 0.771 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1840155450 CFYPMYUZLSZTIB-LAUBAEHRSA-N 438.908 0.888 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015647 SKXSKGFBQVIDPM-INIZCTEOSA-N 435.289 0.002 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1)NC(=O)NCc1ccccc1 1843107299 JXBWHAZAYBGXMI-GOSISDBHSA-N 429.521 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314782 DNTUTWPDQJVQKZ-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847501494 RAWOPWXOPSQLEG-XBFCOCLRSA-N 438.326 0.863 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847559073 JDKCTLOFBXPAMT-QXKUPLGCSA-N 445.944 0.406 50 20 ICGD COc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725902660 PRCCCWHUYKWWEO-UHFFFAOYSA-N 444.473 0.803 50 20 ICGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)C1CCN(c2ncccn2)CC1 728889416 IDRWMJNCJOTXGK-UHFFFAOYSA-N 438.535 0.271 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728958786 FENJAUQXUPYWGW-UHFFFAOYSA-N 433.513 0.987 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NN=c3cc[nH]c4ccccc34)c2)CCN1 730288713 XHFWGUOHNSASHT-UHFFFAOYSA-N 425.470 0.534 50 20 ICGD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)c1 730750351 KJSULZLMRSTJDK-CQSZACIVSA-N 443.485 0.839 50 20 ICGD COC(=O)N[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)C 730998253 QODPUGMYAPGGJG-HNNXBMFYSA-N 426.495 0.613 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732327051 DIPFBPPDLQLMIF-JTQLQIEISA-N 432.311 0.310 50 20 ICGD C[C@@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 735867504 DBQBKFPXMPJNKZ-IAGOWNOFSA-N 432.525 0.846 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 743606382 IPFRVUKUXKERAP-UHFFFAOYSA-N 436.450 0.345 50 20 ICGD C[C@H](Sc1nncn1C)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619878 BLYGSFDVPMCTIE-LBPRGKRZSA-N 426.524 0.460 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 746214918 GLDSRZHLGVQLRR-UHFFFAOYSA-N 432.405 0.616 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 748611390 NNHVBJRIJXTUGE-CYBMUJFWSA-N 432.430 0.856 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 754132275 CLZHCBOEEJDEOI-UHFFFAOYSA-N 436.332 0.783 50 20 ICGD O=C(CO)NNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 755391500 LWIGYRDAXHAMLR-UHFFFAOYSA-N 439.538 0.997 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3cc[nH]n3)c2)CC1 756359937 RUCRVHAJEWPVRD-UHFFFAOYSA-N 435.510 0.131 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1=O 757764264 PVKNDYQWNLEHKM-UHFFFAOYSA-N 448.432 0.904 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2Br)c1 757775112 FTPPATAGVSHLFP-SECBINFHSA-N 445.299 0.725 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 758024448 GGLPSSUXDIYFSU-QMMMGPOBSA-N 426.373 0.496 50 20 ICGD Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1Br 758511573 AYYLIFUARQAFAW-UHFFFAOYSA-N 430.122 0.921 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 759283211 KTNXTSDBASRDGZ-UHFFFAOYSA-N 426.539 0.450 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 761726410 PTXHLTJYMARBPV-CWTRNNRKSA-N 435.506 0.838 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763684330 JQHMQOMQUMQAEL-UHFFFAOYSA-N 447.469 0.580 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 764400401 PSMFMWMWFZHKPF-XHSDSOJGSA-N 436.509 0.433 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 764400509 QAZAINDKULTDPI-ZDUSSCGKSA-N 441.506 0.540 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 764457337 PYABEPOFBOHCMT-UHFFFAOYSA-N 425.492 0.188 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNC(=O)COc2ccc(Br)cc2)n1 765248465 XCRXDLSFVBMTSI-UHFFFAOYSA-N 448.255 0.608 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 767162095 RXRFWCVBLAZUKG-KRWDZBQOSA-N 433.486 0.623 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 767327897 FCVCBELZOTZPAW-AWEZNQCLSA-N 437.456 0.923 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)n(-c2ncccn2)n1 768240937 DSAPDOVVWKMKQA-UHFFFAOYSA-N 439.432 0.656 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1c(OC)cccc1S(C)(=O)=O 768635087 VERAHPRTHCGFEA-UHFFFAOYSA-N 429.476 0.512 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 771964932 NZUQESLDYQQZCK-QWHCGFSZSA-N 430.483 0.181 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 773481603 IHPFUBUXVGXRQJ-KRWDZBQOSA-N 440.460 0.190 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782892748 GBZJWVBDNYDBSH-UHFFFAOYSA-N 439.428 0.697 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCS(=O)(=O)C1 783427298 OESYIMRVFANTHH-KRWDZBQOSA-N 428.898 0.603 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)c1 786169553 CFZKZKJZMLILFQ-MRXNPFEDSA-N 431.880 0.841 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)NNC(=O)c3cnccn3)cn2)CC1 786187079 RLFCABRBEWYLSA-UHFFFAOYSA-N 443.468 0.790 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1OC 786586741 GFBSJFMNAFTTOP-NSHDSACASA-N 447.366 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)cc1OC 787540906 GOSZYIBMRRXREG-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792387797 HXTYAHCTVUPNOX-UHFFFAOYSA-N 431.478 0.888 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H](C)O1 792627968 BXYIQNWEGROWBS-SNUQEOBHSA-N 448.442 0.265 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(OC)n1 797369150 PFZVVKBJFIORJH-UHFFFAOYSA-N 431.405 0.111 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 800595297 ANWJVGOCQRTRNV-GFCCVEGCSA-N 431.424 0.922 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)C2CCN(S(=O)(=O)NC)CC2)cc1C 803937838 WJJVSVRSJOHFGD-UHFFFAOYSA-N 446.551 0.099 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 805766655 AXHNLMWRSOJBRZ-GFCCVEGCSA-N 425.433 0.519 50 20 ICGD Cn1ncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1I 814719915 ABPMMVNGDSSRMV-UHFFFAOYSA-N 425.186 0.736 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815751635 HWFIIHOQMRTURE-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CC[C@H](B(O)O)C1 864234704 UGYXOMXCTQDANK-AWEZNQCLSA-N 432.263 0.948 50 20 ICGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(-n2cnnn2)cc1 913156171 ZIQKNNSJHGCILY-UHFFFAOYSA-N 434.210 0.209 50 20 ICGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C(F)(F)F 915077180 IGBHWOAAHUYULH-OAHLLOKOSA-N 434.396 0.425 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 916050204 YGDIBZHVLSHUGT-UHFFFAOYSA-N 427.523 0.921 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1 916260052 OIHWUIPUCYVROT-AWEZNQCLSA-N 442.538 0.997 50 20 ICGD O=C(CCCCn1cccc1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779195303 BUAKKVXCLSNRAK-HSZRJFAPSA-N 439.321 0.482 50 20 ICGD CC(=O)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782141579 JJIRVQUTTZEHJZ-JPEVHGAISA-N 445.520 0.428 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(O)nn1)C2 1782180130 TVSUPURLHVXXHN-RZQQEMMASA-N 440.928 0.883 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n(C)n1 1782212307 QSEPFVSTWGHNJL-XMSQKQJNSA-N 448.568 0.483 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1783537315 NMEBABJTBAKTII-ACJLOTCBSA-N 436.310 0.885 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnc2c1 1783937628 WDVMNJMLOFHHRO-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1783970368 SZRFAPOKGOKWQD-UHXUCMFUSA-N 430.299 0.791 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785080505 ZHEHLXBRNXQSIR-MZNJEOGPSA-N 447.300 0.751 50 20 ICGD CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](Cl)COC)C[C@@H]32)cn1 1785611302 YCMPDZBDPGDYQN-AYDFFVQHSA-N 426.901 0.722 50 20 ICGD C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611540 LOXWEFNWFDQOEB-JQFCIGGWSA-N 433.534 0.198 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 1791287148 QDUISAVYQJWJFX-MPGHIAIKSA-N 433.509 0.518 50 20 ICGD COc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290677 KDGKMWXVCIRATB-IEZWGBDMSA-N 432.521 0.662 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1792877454 ZFMMEXXYWYTKJS-YGTFVGLLSA-N 437.924 0.404 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(C(F)(F)F)n1)C2)[C@H](O)CCl 1792975651 SXLYFUCBVBAGFR-DDFXLWFNSA-N 435.830 0.832 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930122 RCXHWJCTNDPMJG-IQOUGMIPSA-N 430.914 0.059 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cccn2c(O)nnc12 1796286831 QVQNYTRMVRBWLE-GNXNZQSNSA-N 438.282 0.423 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2cc[nH]c12 1797093159 RBYATLFOYLUZLL-CCWDJLKJSA-N 448.483 0.683 50 20 ICGD Cc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753926 CLIDDGOFFVFUQO-HBCWATKFSA-N 441.463 0.650 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798459833 LCWNVXBSTQFGSS-OCVGTWLNSA-N 435.912 0.942 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1805899637 GRENGIBIUFWADT-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809967597 PJXHJEWZNWGGGP-CYBMUJFWSA-N 436.900 0.516 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970976 FJEPQHWQQNCGTB-KOEQRZSOSA-N 440.353 0.683 50 20 ICGD CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810294220 IWWKPEVSGNWGFC-YJBOKZPZSA-N 435.488 0.949 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)[C@H]1c1cccnc1 1810295679 VEJVJCPBMCFWBF-WCZJQEMASA-N 426.452 0.758 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810648132 SOWGWCPIDOJESR-NQIIRXRSSA-N 447.304 0.735 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1810868758 JFZHIFXBTFKQIQ-ICSRJNTNSA-N 448.288 1.000 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1813070169 DNFWKOQRLBKQNZ-IERDGZPVSA-N 440.504 0.875 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1813070623 KFRUQLDFSJAQIW-DYESRHJHSA-N 439.520 0.873 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814864796 TUTRJWQDTPRIOB-KGYLQXTDSA-N 435.934 0.329 50 20 ICGD C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815198310 OHTNXIHRGNHKOD-DYVFJYSZSA-N 439.476 0.752 50 20 ICGD O=C(COc1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815762426 UKPRGDNUNCFAQE-LJQANCHMSA-N 449.276 0.869 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471221 HNMUHVLNJPHNNQ-INIZCTEOSA-N 438.253 0.330 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059530 RPHUZZFQGVOYQW-HXUWFJFHSA-N 443.353 0.372 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829091471 VAUGIYRKVLCECR-UZLBHIALSA-N 441.337 0.290 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830538325 BWZMLQIZNZDMMM-LBTNJELSSA-N 448.358 0.341 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)C1 1830718474 OZVWHFCCFMCUHN-VFVRVIDISA-N 437.320 0.836 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723904 UAMFOCHYOSDAEB-FOIQADDNSA-N 440.880 0.014 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc(F)c1F 1830738875 WJYNLVVQCXUHCB-KXBFYZLASA-N 432.851 0.943 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)n1 1831870761 FRPWEJUHFNZNRQ-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCCCO3)CC2)CC1 1833113059 GRMGZWWIKWZZAJ-LJQANCHMSA-N 437.585 0.500 50 20 ICGD O=C(Cc1ncccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833168967 MKKYMHBDXRQLCA-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834726619 VPCXQWWFYIJWKK-IEBWSBKVSA-N 437.972 0.907 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1834843815 LWLYQEXAVVODKQ-GHTZIAJQSA-N 440.924 0.684 50 20 ICGD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834976249 MUXOPKCGXJWCOR-CJRTWVEFSA-N 435.427 0.975 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835079281 RKORXMKUKODUAD-IUODEOHRSA-N 425.954 0.773 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)o1 1836028818 PDGCDPZIQIQGTC-BZNIZROVSA-N 431.287 0.160 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837045236 QRJQPDKRPIFMEM-SUMWQHHRSA-N 428.898 0.066 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c1=O 1839150091 BSWCLKIBVBVFNG-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cccc1=O 1839151260 LZDHEYZCWQTZEM-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD O=C(c1ncccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200135 GBDNDOQEOVUMPW-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839963637 QTZSSPSTOGMAHU-SJKOYZFVSA-N 445.314 0.809 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1F 1840150053 FUQHODQPRRRJJF-KZULUSFZSA-N 432.880 0.435 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840155757 DCWHZJAIYLDPKN-QFBILLFUSA-N 426.901 0.119 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275973 SECWOPJABKUCAS-SEVFCGSRSA-N 433.343 0.777 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326667 QSWFGRRUIFXUBZ-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1)NC(=O)NCc1ccccc1 1842303021 IIZCSTBOANUXJA-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011531 MPSDMXDTORQWBP-UHFFFAOYSA-N 428.323 0.148 50 20 ICGD O=C([C@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013016 YXMKLAWIOKGOET-SFTDATJTSA-N 434.301 0.479 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)C1 1847554211 XDOAAYPMPMIVOI-PYTWLRIVSA-N 429.477 0.090 50 20 ICGD O=C(Cc1c(F)ccc(F)c1F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847962127 JGNBMALTSPRHSL-ROUUACIJSA-N 432.207 0.842 50 20 ICGD Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)ccc1F 9890038 XOGDREQNOOJAMV-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 17519442 ZMYBNBKNUBHIOS-UHFFFAOYSA-N 444.451 0.910 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)CNC(=O)c1ccco1 725902703 RTDLWLVYRZCSHD-UHFFFAOYSA-N 428.854 0.179 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 728509553 HZCFRBSPRGZBSB-CYBMUJFWSA-N 433.552 0.893 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 733360624 OKRWWINAMWUEKS-UHFFFAOYSA-N 434.474 0.581 50 20 ICGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118352 SWACDDWTBLRGMF-KDOFPFPSSA-N 447.517 0.689 50 20 ICGD CCOC(=O)C1(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CCC1 740903487 PNQCJCKOWBFNRR-UHFFFAOYSA-N 425.511 0.966 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744633525 QCKXFLVVEKYOFG-UHFFFAOYSA-N 449.485 0.538 50 20 ICGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 745834503 UBZFVPLPSMDDSJ-PLNGDYQASA-N 429.451 0.125 50 20 ICGD CO[C@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 750061645 WFHOWPNBUBOJLN-OAHLLOKOSA-N 441.492 0.618 50 20 ICGD CS(=O)(=O)c1ccc(OCCCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751212021 NYTSRZAJJOFULY-UHFFFAOYSA-N 439.515 0.888 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCC(=O)NC3CCCC3)cc2)CC1 756011825 BPNCGMCJWFLHCH-UHFFFAOYSA-N 437.566 0.905 50 20 ICGD COC(=O)c1c(C(=O)OC)c(-c2cccc(NC(=O)NNC(=O)CO)c2)n2c1CCC2 756069631 FLCODSIOQKBZED-UHFFFAOYSA-N 430.417 0.820 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756653762 GWUHPEFXIBTEAV-CYBMUJFWSA-N 434.428 0.501 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 758036710 UUWYGFXXAMISNK-JEYLPNPQSA-N 430.571 0.717 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1[N+](=O)[O-] 758834618 SBLBWDYFRNWNMD-HNNXBMFYSA-N 440.416 0.689 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 758838164 FIUUKVIZUOAMPX-ZDUSSCGKSA-N 425.401 0.201 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 760299838 DCKHIGDPUJOYGA-UHFFFAOYSA-N 427.446 0.153 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763775164 MCTDBUFRDJRIPM-UHFFFAOYSA-N 436.446 0.012 50 20 ICGD COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764203039 FBTYGMDYZFOJPJ-UHFFFAOYSA-N 428.445 0.700 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764267190 BMBSRYNUJMEXAX-UHFFFAOYSA-N 447.517 0.748 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cc1Br 764327130 VFGMPODRHRLDST-UHFFFAOYSA-N 435.234 0.956 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3nccnc3OC)ccc21 764481345 JFZSPNVNKORDDF-UHFFFAOYSA-N 428.453 0.898 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739581 YVEIATASVFWWLC-UHFFFAOYSA-N 431.518 0.214 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768234010 QIKBZSLFZLSVFK-UHFFFAOYSA-N 435.400 0.668 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 769863967 CHAFNJFWFJTTHX-UHFFFAOYSA-N 442.219 0.040 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 777777826 PJQKQHWLPJZURW-UHFFFAOYSA-N 425.326 0.530 50 20 ICGD CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nn1 777838868 XUUNWZPQKDVFCB-UHFFFAOYSA-N 436.332 0.333 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)[C@H](C)O)cc1 779538056 TXYHWSDQTRDIMD-SUMWQHHRSA-N 441.531 0.570 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1 780156791 SPULPUNXAUPMJF-CQSZACIVSA-N 426.495 0.707 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c(Cl)ccc3cccnc23)n(C)c1=O 781128685 SVZVADOTFVEZDL-UHFFFAOYSA-N 425.836 0.786 50 20 ICGD Cc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003481 GXZBYJBWOJZWLK-UHFFFAOYSA-N 440.485 0.817 50 20 ICGD O=C(NNc1nccnc1Cl)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784776082 AWUYLJQHENCBGO-AWEZNQCLSA-N 446.851 0.226 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 785024519 VMSHTSNMKIIMKG-UHFFFAOYSA-N 431.405 0.641 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)c1=O 785090057 LTMZYDAWEYWZCD-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 786724027 UGHKJLLVEVBIOT-UWVGGRQHSA-N 443.931 0.001 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)[nH]c21 790315582 RCNWLTCGRWVKMY-LRDDRELGSA-N 426.433 0.015 50 20 ICGD O=C(NC[C@H]1CCSC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 790885758 VBYHRXGDBUPFDZ-CYBMUJFWSA-N 428.536 0.405 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cn1 790891387 QROMYMIBDCTNLV-FQEVSTJZSA-N 425.449 0.789 50 20 ICGD Cn1nc(SCC(=O)NN=C(C[C@@H]2CCOC2)c2ccc(F)cc2)c(=O)n(C)c1=O 792960298 RGZBKVVKHICFOU-LBPRGKRZSA-N 435.481 0.657 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3cccc(C)n3)n2)n1 795670052 VDVYKKJEHCWBLK-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cc([N+](=O)[O-])ccc1Br 800617330 DYLMOBAGNASGJO-RFHZTLPTSA-N 439.222 0.963 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Nc1ccc(OC(F)F)cc1 802045576 SDOTVPYOHCTOCY-PWSUYJOCSA-N 446.432 0.476 50 20 ICGD O=C(NCCOc1ccc(I)cc1)NNC(=O)C(=O)NC1CC1 802327059 ZLBRLIZZNHDFPM-UHFFFAOYSA-N 432.218 0.279 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1ccc(F)cc1Br 810172977 SQENXBLPDAJLKZ-UHFFFAOYSA-N 449.258 0.933 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)c1C 810401655 XQLWDGIEQVYSDB-UHFFFAOYSA-N 433.494 0.724 50 20 ICGD Cc1nc(C)c2c(C)c(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)sc2n1 874102894 QRQZEUDCVYIIQH-UHFFFAOYSA-N 433.519 0.651 50 20 ICGD Cn1c(=NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)sc2ccccc21 906371930 SCPWFMSEJGPTOC-UHFFFAOYSA-N 445.526 0.606 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 916238020 UJFRSTMIIYGBRX-CYBMUJFWSA-N 428.511 0.607 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 918718539 QAITUQWRKWPRSX-UHFFFAOYSA-N 449.558 0.362 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1779032797 YTOWRMMTEKWMGL-QGZVFWFLSA-N 441.410 0.471 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1779301929 ZUKJPAFGHOJLAX-OAHLLOKOSA-N 425.480 0.346 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)co1 1779371031 IBJVFKZVEYYODH-DYESRHJHSA-N 442.476 0.423 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784284015 OBBYBFIQLBALQY-GAJHUEQPSA-N 437.305 0.084 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NO1 1784401517 VTATWMXDAOKSQU-FQQAFBJJSA-N 435.908 0.759 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CNc2ccccc21 1786875787 ORVSKNLRLDEHHJ-SZFLOTBDSA-N 449.316 0.169 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)sc1C 1786981070 ONXDQGYBYOKYOM-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788775987 YHQRTYQWDNRYRK-GLRLOKQVSA-N 438.352 0.354 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C[C@@H]21 1791291562 ZABITKVEWKVHHI-BXWFABGCSA-N 442.520 0.529 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293309 TVHAVHOMQSZNTR-ZULIPRJHSA-N 446.548 0.807 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1792097863 KMARPUYDEYOHFN-XSLAGTTESA-N 437.924 0.581 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(Cl)nc1 1792415253 IKVGRCFQYULTRA-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)CCOC1 1796367625 KRHLYECPIGKVCU-IMDDZUEWSA-N 449.907 0.794 50 20 ICGD CSCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796893771 RELLTINMAICAJZ-QETPJRQFSA-N 435.550 0.873 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752859 JVOCDFLYZJXUIV-WZTYKQCMSA-N 444.319 0.125 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1799268542 ZQEIEQDASZFSLR-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1OC)C2 1800973212 CZJMZERDORDQTI-YGTYGHESSA-N 426.897 0.917 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2 1801012931 GIZAZCUPKBESTM-USGNIVHTSA-N 436.484 0.167 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803148142 OFQQFOPZLOWJRI-IIAWOOMASA-N 427.958 0.171 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncc[nH]2)[C@H]1c1cccnc1 1805155119 AUYAVQGKIVPMGN-WMLDXEAASA-N 434.460 0.437 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361067 DWDHNFIUYDKXBO-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1807369503 MMMJJSHFUIKWTD-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1811497468 RXSBPROXAFSTQL-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1c1cccnc1 1813070005 DBTWJJWVVHBGCC-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C(F)(F)Cl)[C@H]1c1cccnc1 1813211515 KJWOVUBUEAXLJZ-GOEBONIOSA-N 437.639 0.913 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2 1815066721 MZCSPTCJHSONID-MVKOHCKWSA-N 436.307 0.338 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(F)n1)CC2)c1ccc(B(O)O)cc1 1815343991 AMQRPZZPPCNLRK-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CC(C)O[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344246 PMMTXFKTHOVCGC-DOMZBBRYSA-N 431.323 0.862 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468014 ALULLFQBVQGWMZ-ZWNOBZJWSA-N 448.871 0.700 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cc1O 1817470583 DYYGBJLFYODDIW-MRXNPFEDSA-N 438.253 0.148 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817474410 RDOOGNRAPVKEDF-GOSISDBHSA-N 434.265 0.428 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819579829 QSTQKYYOZIKLDA-CXAGYDPISA-N 439.281 0.086 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cncnc1)CC2 1826080591 SYPPUPTVPNEHCF-ZDUSSCGKSA-N 431.522 0.461 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)Br)CC1 1826821233 VMQDNXIVGVBEFH-YDHLFZDLSA-N 435.338 0.889 50 20 ICGD O=C(c1cc(O)no1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052357 HCWLOOMRVXWFNT-QGZVFWFLSA-N 427.266 0.607 50 20 ICGD N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828803227 LCCCWODRMGBTBO-UWJYYQICSA-N 448.907 0.952 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1830325410 XFZUNYICSWFYIQ-JOQOYGCGSA-N 448.358 0.389 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830543603 WBSZPFOGUXYRHA-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C(F)F 1830732889 XUTMKDJKTKSMCO-DYVFJYSZSA-N 436.843 0.256 50 20 ICGD O=C(Cc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830966583 BVIRPQCMCVWMCP-GOEBONIOSA-N 431.262 0.166 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831649160 QITLGUUGRSPPEI-JSGCOSHPSA-N 443.342 0.941 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310290 GDEFIGSSLDORTO-SFHVURJKSA-N 425.961 0.996 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230727 PKLFZGMFWWKIDN-CXAGYDPISA-N 429.315 0.521 50 20 ICGD CCn1nc(C)cc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834984003 VLXLCBPXBZUQDQ-GOSISDBHSA-N 425.961 0.996 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836386354 QQYHTHKHEINLDN-DNVCBOLYSA-N 444.937 0.743 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836957298 PUVFWIAAUDJYMO-KXBFYZLASA-N 440.859 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837558347 FDJVRHQCXOUJSN-LUODXLFYSA-N 427.885 0.706 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838753911 BCWXOKMAUBBLDA-CHWSQXEVSA-N 430.343 0.905 50 20 ICGD CN(C)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838922695 KJLIAOZJLGBBJR-FXAWDEMLSA-N 425.913 0.422 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839017493 OZRPMBPQJBJUEI-YLJYHZDGSA-N 426.897 0.755 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839147137 HQAIXGWJUXEBHH-PXNSSMCTSA-N 442.988 0.240 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839151677 APCZOGCMKPEKMG-IAGOWNOFSA-N 449.291 0.194 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197911 LWZSIRCFQRPWLD-WBMJQRKESA-N 447.261 0.246 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)n[nH]c12 1839595695 OINKTFCCKAYHTJ-FOIQADDNSA-N 436.896 0.541 50 20 ICGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1839809357 ZDFOCWQLSDZGBL-FQEVSTJZSA-N 431.401 0.223 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840030970 BMOWQDDSFMSRPG-DYVFJYSZSA-N 427.299 0.638 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840033780 PVLGTCIOQDTURN-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840034070 ZPINDSWSZKCYAN-SUMWQHHRSA-N 429.315 0.500 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1840183088 ZZXIHUZYQMSKRO-OAQYLSRUSA-N 436.509 0.042 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841571219 IBQYWFOLLIGRQM-SFTDATJTSA-N 434.301 0.996 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)n1 12665867 WKCIUIXLMBWAJB-HNNXBMFYSA-N 425.445 0.736 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 15727005 SGBMKWGYULKHRP-UHFFFAOYSA-N 448.483 0.943 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 28927261 GVZJVRJGSVOZFG-UHFFFAOYSA-N 425.445 0.833 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 727604078 NTQPBAHQQWHKIF-UHFFFAOYSA-N 446.533 0.300 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1C 728312487 RZPIHOIOKCNPSC-UHFFFAOYSA-N 448.501 0.316 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2nnnn2-c2ccccc2)cc(OC)c1OC 730578418 OZINPSIUXHKOIL-UHFFFAOYSA-N 427.421 0.832 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2nc(-c3ccoc3)no2)c1 739678759 HOIKSYNBFFASTF-UHFFFAOYSA-N 433.446 0.974 50 20 ICGD O=C(NCCCCN1CCN(Cc2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 748458565 CWYYVJTULYDECI-UHFFFAOYSA-N 430.553 0.537 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659928 JXYIZBPDMFIOAJ-NSHDSACASA-N 429.430 0.031 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC(F)(F)F 755663035 BYFDHZGISSAMNL-MRVPVSSYSA-N 428.389 0.727 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 756153696 YSTUKTKVWOEHLR-UHFFFAOYSA-N 426.421 0.144 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCO[C@@H]2CCOC2)c1 757251283 BKAUATIADFYKBC-MRXNPFEDSA-N 442.538 0.857 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 760442593 MMGWCKQBBSQECM-OAQYLSRUSA-N 445.476 0.442 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC([C@H](O)c3nccn3C)CC2)cc1OC 760880739 RMJCNQQVXSHVHF-IBGZPJMESA-N 431.493 0.644 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)c1 763540124 RKNKKTHNYCUGGA-UHFFFAOYSA-N 447.448 0.957 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763559576 UWTHNKYEFKNQTG-UHFFFAOYSA-N 441.368 0.811 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763569810 CEJATACCDUIUMI-MRXNPFEDSA-N 433.442 0.157 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1 763641872 YUUKOAHFQSWHJF-UHFFFAOYSA-N 426.355 0.726 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1CC(C)C 763916993 NGLDWROEATUATN-UHFFFAOYSA-N 425.453 0.477 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc2)CC1 764116141 KQKRQRFOSDNJPP-UHFFFAOYSA-N 443.426 0.432 50 20 ICGD COCCn1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 764819020 NYQOBTGDXYYBOV-UHFFFAOYSA-N 448.549 0.295 50 20 ICGD Cc1ccc(CCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721817 KGJLDUOQURIFCY-UHFFFAOYSA-N 426.477 0.303 50 20 ICGD COC[C@@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765727941 JZKWDCSFERPSBZ-INIZCTEOSA-N 426.539 0.121 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3oc(C)nc3C)CC2)cc1 766635697 CYUNENGTQADJEO-UHFFFAOYSA-N 435.506 0.367 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767853518 UNTCHOVQFQNOTC-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3c(OC)cccc3S(C)(=O)=O)ccc21 768628880 LZLOJPWGMDCVQU-UHFFFAOYSA-N 432.458 0.879 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 770772333 XABUBSDBBIOGAL-HXUWFJFHSA-N 437.500 0.918 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1 770966415 TVNGPMRPVHZNAJ-LLVKDONJSA-N 425.515 0.792 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 772097636 PJYMOVYDSOPANN-UKRRQHHQSA-N 433.461 0.936 50 20 ICGD CN(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 772194912 FGMFVYBEUJMBKJ-UHFFFAOYSA-N 438.893 0.424 50 20 ICGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 777938722 FAGXKCOSDBTNDA-UHFFFAOYSA-N 426.495 0.820 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NNC(=O)c1cccc(Br)c1 778682566 GYTKTZHTHWLSFM-UHFFFAOYSA-N 430.259 0.949 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n(-c2ccc(Cl)cc2)n1 784004735 RPOWPMRQIVRRFB-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 797368678 FTASYFSXUKPRGR-UHFFFAOYSA-N 439.428 0.584 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)n1 797371565 ZLYZNYAEKRMEAI-UHFFFAOYSA-N 427.442 0.985 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 801108501 IRORUOOGMFDWGW-GFENJXEQSA-N 429.477 0.828 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)s2)CC1 807378710 KWDODOPKDCRSCW-UHFFFAOYSA-N 429.568 0.771 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 811645599 SVSPGCPSYCGEIU-UHFFFAOYSA-N 429.502 0.242 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 849207338 COOYUSYDSXXAJJ-CQSZACIVSA-N 445.428 0.650 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@H](B(O)O)C1 864232750 CXDHMSPTNDXJFT-RISCZKNCSA-N 433.133 0.827 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914878656 NRFHAZYOQYBQMH-IAGOWNOFSA-N 429.498 0.565 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnc3n2CCCCC3)cc1 915915866 RZFVNBBIMPNOCD-UHFFFAOYSA-N 449.537 0.464 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 916526112 YXHLGTOGHIJNIO-GUYCJALGSA-N 431.445 0.308 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O 916556991 QPERKMMFGARVIC-UHFFFAOYSA-N 429.458 0.345 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 919744189 DBAQIBGRZCHQGQ-UHFFFAOYSA-N 449.427 0.970 50 20 ICGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 919889792 UJAGJYOBWYUAFT-VXGBXAGGSA-N 426.520 0.279 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 919916553 NOZLZDIVXNYBID-UHFFFAOYSA-N 440.435 0.930 50 20 ICGD CCNC(=O)CN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 920446894 DYDJXMDRYIRBNB-UHFFFAOYSA-N 438.532 0.937 50 20 ICGD O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 920856034 ZBVOWDPPEGYITI-CQSZACIVSA-N 448.457 0.747 50 20 ICGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 921295554 SMKJAYACOGCTNV-AWEZNQCLSA-N 430.435 0.379 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2F)cc1Br 1317925732 ULMZQPMACUZBLI-VIFPVBQESA-N 445.270 0.970 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782220140 YQWKTZXYAUYHSH-ZTFRIQLXSA-N 425.309 0.920 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783355411 QQEZCOHXMFMBKZ-WBMJQRKESA-N 435.388 0.474 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783873087 KHHPOKBCLBASDD-LIRRHRJNSA-N 426.901 0.218 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)CCO2)C1 1783997597 ZOMQZVKAMZPSAS-RBZFPXEDSA-N 435.433 0.999 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789868603 YMJWZMINHFDLDW-VIMZNKNYSA-N 440.324 0.267 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790749131 IJHKNMOZQXBGFK-JZRPKSSGSA-N 441.319 0.234 50 20 ICGD COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1ccccc1 1792975603 WDBJCTKTLFKAGG-ZHCJQAHYSA-N 439.896 0.273 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)C2)[C@H](O)CCl 1792979094 TYWQAQNJDWUVDN-VODVUFLWSA-N 441.315 0.948 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792979739 DJERMBCIWJQHJE-OCVGTWLNSA-N 425.869 0.668 50 20 ICGD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1794269203 FIMMQUFUGNHZRN-INTNWOOBSA-N 429.246 0.074 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795706400 VWHOMTZWEFFBQO-NOHGZBONSA-N 439.925 0.731 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)[C@@H]1SC(=N)NC1=O 1796429060 XCPXFFZUHAAFMW-QIRZIZBZSA-N 442.614 0.230 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891037 ZHPACEAISDIEHZ-BFEVCPCASA-N 449.533 0.665 50 20 ICGD CN(C)c1cncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1 1798440792 SJXGYJYXUQNJIB-MUJYYYPQSA-N 437.504 0.712 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799378474 SYJONYSELQIEEU-LAVAIGHBSA-N 438.289 0.037 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1800977828 YSMJSOWHRLXJMB-RPSTWBSGSA-N 427.929 0.231 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803232777 QNKMCEKWZQFHMM-RLLQIKCJSA-N 425.294 0.098 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1804784206 RRNLGFXSIJBFJS-LAUBAEHRSA-N 440.504 0.408 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]2c2cccnc2)c(=O)nc1O 1808320388 ZEBVKTZDNUNXMA-VNQPRFMTSA-N 437.859 0.893 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809735754 UPQOPWLSNYKHOE-UHFFFAOYSA-N 426.282 0.404 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360543 TUWZKCUIDKOEMN-SWLSCSKDSA-N 444.322 0.850 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824400437 LYDQTCVEJCJKKS-SJLPKXTDSA-N 437.585 0.894 50 20 ICGD Cc1cccc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n[nH]c12 1830736908 XSRASJIZHQDWFS-YWZLYKJASA-N 436.896 0.541 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752848 YQUUCLXXADSQBV-MDZRGWNJSA-N 446.386 0.958 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831398826 ATJZOUJHLXGHTI-SFHVURJKSA-N 430.509 0.055 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833077125 QUNPVYDLBLEDJD-XDXAGZTOSA-N 440.972 0.670 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n1 1833080881 RMMLOILZFRKBQY-RDTXWAMCSA-N 443.342 0.679 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833543341 RLFVKRAXILNISW-QGZVFWFLSA-N 430.977 0.320 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1834531884 IHRPOZIFRZOMAV-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822623 YSSSJVGVTYJDLL-INIZCTEOSA-N 431.287 0.420 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837679138 FLTBHQVOLDYIRC-IYOUNJFTSA-N 448.358 0.531 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1838128942 VUQLUNUXUDFMAI-BBRMVZONSA-N 434.262 0.998 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1838541988 UYXNINAKUMJCCQ-UHFFFAOYSA-N 434.541 0.703 50 20 ICGD O=C(Cc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839059778 DWTGDYYYNSUSEY-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839146154 UZGFZKHYHMEREE-KUHUBIRLSA-N 426.901 0.753 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839152126 OMZFORYVCPEANE-RBUKOAKNSA-N 446.331 0.541 50 20 ICGD O=C(Cc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199843 WQQFVUZXSCGYAU-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839226674 UKOJTPDWUHLNND-WWGRRREGSA-N 438.294 0.934 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839962459 FRIZNQWMEJUVFH-LBTNJELSSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1840151382 ACCRDQJHTCKDCE-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1840152198 ASLMCEBQRVJCNG-KKSFZXQISA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1840154461 XHCNQSTYAYSNMO-GHTZIAJQSA-N 448.907 0.954 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Br)C3)nc1 1842255891 QXZBCGWFUGZPRS-LBPRGKRZSA-N 434.287 0.993 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(=O)OC(C)(C)C 1843013278 BNNDOUAJAMAEMN-UHFFFAOYSA-N 431.298 0.050 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1843415362 NGUYYFUUEWEHTE-BRUSPLQXSA-N 429.399 0.637 50 20 ICGD CC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)n[nH]1 1843415407 FVOXGLJVVDCZJO-WSDLNYQXSA-N 425.449 0.563 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c1 1845572111 QKRVFRGMSTWSTR-UHFFFAOYSA-N 439.520 0.766 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384036 WDHMPUKVLUFEQA-OAHLLOKOSA-N 439.557 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1846385636 BYRALQDYFRSQJJ-UHFFFAOYSA-N 446.533 0.316 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846576823 YKBARYJEPCCHLW-OAHLLOKOSA-N 425.319 0.759 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCSCC1 1847246857 GVYCOSNHOUYHFA-SLKXRBMJSA-N 432.550 0.371 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)CC1 17575109 HNAKUQTXXBFPTI-UHFFFAOYSA-N 446.485 0.320 50 20 ICGD CO[C@@H](C)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726713288 FGAFGEWOUKYDRW-HNNXBMFYSA-N 442.538 0.396 50 20 ICGD CS(=O)(=O)NCCNC(=S)NNC(=O)COc1ccccc1Cc1ccccc1 727065673 CCJJNLGWNUUZDX-UHFFFAOYSA-N 436.559 0.701 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CSCC(=O)NNC(=O)c2cccc(C#N)c2)c1 728826680 ULYGJJIDYGWYFD-UHFFFAOYSA-N 436.453 0.385 50 20 ICGD COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1cnn[nH]1 729455516 IRVIDDLLLQUDJX-UHFFFAOYSA-N 442.457 0.640 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2scnc2C)cc1[C@@]1(C)NC(=O)NC1=O 729667974 YOWXAQTYGAVOPV-MRXNPFEDSA-N 439.475 0.138 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1 729693387 WNYSTHQGPKSWGY-UHFFFAOYSA-N 427.483 0.916 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(OC)c1 729950086 IFFQBUSWRRULRW-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2ccccc2O)cc1 730034134 VHAWHYRNBVYXTJ-UHFFFAOYSA-N 448.501 0.751 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 730820294 DACCGDGZLBWHQE-UHFFFAOYSA-N 428.445 0.774 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 730835923 MOSLKLFWAISZFT-CVEARBPZSA-N 429.429 0.690 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 731355185 VPSAZCHIOANJPF-UHFFFAOYSA-N 427.483 0.102 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(Br)cc2Cl)n(C)c1=O 733808101 KWPUYBDTUMCDOZ-UHFFFAOYSA-N 441.673 0.993 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 734242026 ODFJMTPMLIQSIV-HXUWFJFHSA-N 448.480 0.309 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)n2)cc1 734993200 CSEFOMLZTZLYCW-MRXNPFEDSA-N 437.522 0.707 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOc2ccc(C#N)cc2)c1 745867311 OXQMDZPDIXPEIJ-UHFFFAOYSA-N 431.474 0.832 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746097174 NDOPEOQICRZXCG-QWHCGFSZSA-N 441.326 0.774 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)CNC(=O)c1cccs1 746195706 BLFBVRNHOVKROY-UHFFFAOYSA-N 447.517 0.242 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O 751210421 FDJAMBGUVLVNLR-INIZCTEOSA-N 428.470 0.946 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 751601966 OOXFPNBIXKOCCE-UHFFFAOYSA-N 425.488 0.429 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 753565854 LQXFOBGDLWRPHH-UHFFFAOYSA-N 443.507 0.005 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755260424 UDFFXROXQWXVLB-ILRDRHFLSA-N 426.473 0.765 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 756208171 YERULJIAHJAZCK-JQWIXIFHSA-N 434.902 0.988 50 20 ICGD CC[C@@H](C)Oc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756212961 JPJMSFAZHIAWIA-GFCCVEGCSA-N 443.464 0.464 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccs1)C2=O 757836459 GCYXYNCLJPYAON-SLAYPKMVSA-N 436.490 0.799 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2ccc(C(=O)OC)cn2)cc1 759729869 NPUSYFYRXXIHKM-UHFFFAOYSA-N 436.446 0.467 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1C[C@]12CCOC2 763374907 VFKHIRQRAGEXTG-PXNSSMCTSA-N 437.518 0.214 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1-n1nnnc1C 763548766 QGENUXTVHZQGKC-UHFFFAOYSA-N 439.388 0.108 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1OC 763551359 OSPQWEDVDKBWKP-UHFFFAOYSA-N 443.395 0.527 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1 763660456 ADJHKQYNIYNPHZ-UHFFFAOYSA-N 433.442 0.190 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cccc21 763802367 CUOFOXGGZALJOC-UHFFFAOYSA-N 429.345 0.205 50 20 ICGD CN(C)CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763809727 ZVTISPMODKYCCF-UHFFFAOYSA-N 429.433 0.864 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccoc3)c2)CC1 764163709 NPRKSGWYSFRIOI-UHFFFAOYSA-N 449.489 0.006 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 764321120 QVAGODWXCNEXAZ-UHFFFAOYSA-N 428.493 0.279 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 764433758 NSBPEYRIJUNDRF-SFHVURJKSA-N 438.440 0.391 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)c2ccccc2C1 764469098 ZAUCLMCVBYWCPJ-UHFFFAOYSA-N 430.530 0.967 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccccn3)CC2)cc1 766637163 ZEIAMXNVCSMCNZ-UHFFFAOYSA-N 445.545 0.477 50 20 ICGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)C(C)(C)O)c2)CC1 768262052 RQPKZDCVXLZUDQ-UHFFFAOYSA-N 432.930 0.198 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc2c1CCN2C(C)=O 769257271 YEQUTHWOBSNJLT-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2ccc(C)c(F)c2)c1 773679427 ZPHDBUDJIVBZPM-UHFFFAOYSA-N 437.453 0.625 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 775495427 FCKYRXRFAZDKDL-INIZCTEOSA-N 440.412 0.948 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cncc(Cl)n1 783268973 YGWOGBSNVGHABD-UHFFFAOYSA-N 442.885 0.861 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2cn(Cc3noc(C)n3)nn2)c1 785017658 FMQHCEUCSCUUFW-UHFFFAOYSA-N 436.226 0.864 50 20 ICGD O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 785083020 AHMMYYVWVYQBIG-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD O=C(COc1cccc(I)c1)NNC(=O)C(=O)Nc1ccccn1 785181710 LAZCTOYUPKAMAY-UHFFFAOYSA-N 440.197 0.851 50 20 ICGD O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 785790912 DUPTUSJEAGWZBO-QUEVPRLRSA-N 444.362 0.873 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 788165688 GAHRUZKHECTMHQ-UHFFFAOYSA-N 433.206 0.801 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc(N2CCN(C(C)C)CC2)c1 792266655 TZCMJIZGAIXPGQ-UHFFFAOYSA-N 427.509 0.957 50 20 ICGD Cc1nn(C)c2ncc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc12 797369024 MLZGVSUEWCSUNS-UHFFFAOYSA-N 439.432 0.289 50 20 ICGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)NCC(F)(F)F)cc1 798314943 IBCCLTDUZPETMN-UHFFFAOYSA-N 430.430 0.339 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 804867988 RASHYANHFUFZTD-GFCCVEGCSA-N 442.416 0.227 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 806972794 LVJQDCVGMWAYNG-CQSZACIVSA-N 446.803 0.597 50 20 ICGD CC(C)Cc1nnc(NC(=O)CN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 809999552 OSZKKRPHZVRECK-UHFFFAOYSA-N 449.493 0.976 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)n1 812988271 BQQLYUOGZJHSPB-UHFFFAOYSA-N 440.508 0.336 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 814641194 DJHXENRMOQKUFL-UHFFFAOYSA-N 427.508 0.994 50 20 ICGD COc1cc2nc(C)sc2cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692091 IZIXGSMEURSUNJ-SNVBAGLBSA-N 429.462 0.553 50 20 ICGD O=C(NNC(=O)c1cnn2cccnc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 828502349 KFJVCNTZIIFFCA-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD Cc1ccc(C)c(NC(=S)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 913423048 BLQLVGHMEBUWGE-ZDUSSCGKSA-N 437.547 0.787 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 913446153 XBQVYICMIJFKSB-UHFFFAOYSA-N 427.866 0.853 50 20 ICGD O=C(CSc1nncs1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916726179 GYDKYLLONCXKTD-UHFFFAOYSA-N 427.533 0.876 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 1319814174 PJYAGSZMHPPECT-UHFFFAOYSA-N 446.485 0.659 50 20 ICGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1327939256 KAIMFBFSQAGBGF-UHFFFAOYSA-N 443.485 0.588 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028112 DQROHFKFTFCXAP-JOCHJYFZSA-N 438.488 0.400 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1779031725 FKDMJMHVORFGJT-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780742246 DEKUUXOEMIOYJW-OAQYLSRUSA-N 425.445 0.148 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782337268 ROQRGNHUOKIMFM-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1782647123 JPCJNQXONUKKQB-CVEARBPZSA-N 425.382 0.537 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783246377 KOYWHNBYTSLPQI-LDQAXMLRSA-N 426.322 0.636 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783355884 ZFQOUMKHUVDCGQ-ZLIFDBKOSA-N 435.315 0.606 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3CCOCC3)cc2)CCC1 1787908238 KLRJHLQGICSSSH-UHFFFAOYSA-N 431.537 0.826 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292672 CWLXKUFCZCLVQC-UHXUPSOCSA-N 427.299 0.394 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)n[nH]1 1789922363 LDILYNKPAFRYGA-TXFQPVFDSA-N 431.262 0.896 50 20 ICGD Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1790273474 SSWHOEVCQHLMJC-IHPCNDPISA-N 441.532 0.833 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1791255257 IRXNQLITURLEPP-HPEDKQMDSA-N 426.857 0.022 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1)n1cnnn1 1791603090 JESDUXBLRHVJLZ-CQSZACIVSA-N 428.497 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc2ccccc12 1795766256 XUOLPOSULOXAPE-YEZVWNJWSA-N 443.504 0.333 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccc1)C2 1796446319 RYCBKWGDDTWXNH-HRHRNMPXSA-N 440.504 0.773 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1797354181 QLOUYXCBMVDWAO-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1799219591 VBVVNRACACHYCV-LKQDWFRTSA-N 446.416 0.880 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl)N1CCN(C)CC1 1799276463 LUXCBNUVRQHIMQ-NAHJCDBISA-N 435.396 0.448 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800283852 FABZBVJONXDICY-ZWUHOBOKSA-N 426.857 0.364 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801530988 XBMAXMHYORBVGZ-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805447089 UUPJHKWLXKHHSY-KRWDZBQOSA-N 431.537 0.937 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1807361005 DLWBNSOGVKJCJZ-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363967 GQHPTPKJIRHSEE-GHTZIAJQSA-N 448.263 0.929 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CN)[C@H]1c1cccnc1 1808415449 WQVRMMYKQBVPEM-CSKFUSPHSA-N 439.520 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCS(C)(=O)=O)n[nH]1 1822972974 OUQXRYPCXKAURJ-CQSZACIVSA-N 442.542 0.210 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824677819 ZRKKLNUGERQJSJ-JGVFFNPUSA-N 447.311 0.382 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1CCN(C)CC1)CC2 1825998381 GEFWEJIZGMGHRF-UONOGXRCSA-N 444.001 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3cnccn3)sc2C1 1827018870 ARZSOPOKNNLZRQ-BPJJOFIESA-N 443.533 0.932 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829338766 BCSLABATZKBLGL-GOSISDBHSA-N 426.282 0.342 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732490 ZEBZZBWNOKJSNA-BLLLJJGKSA-N 439.818 0.703 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830739098 YCCYAGSYIOPOKP-IFXJQAMLSA-N 430.860 0.504 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831644084 NOFVAWGLUXYCNJ-YWZLYKJASA-N 438.912 0.658 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccco1)CCO2 1833052955 XOGRBFIVVWHBKV-OAQYLSRUSA-N 436.509 0.042 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(C)(C)C 1833305988 IDLFFMKCYOSAIR-MSOLQXFVSA-N 445.004 0.709 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1)[C@H](O)CCl 1833312359 QNWKGAXRBWUMOA-QGZVFWFLSA-N 439.944 0.451 50 20 ICGD CC(=O)N[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(C)(C)C 1833399738 DNGDFYAHYIBKJD-ZWKOTPCHSA-N 445.004 0.709 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1834819534 VEHPLEURZSNWDE-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1834856540 PTSLIOHIWAIIPO-SJORKVTESA-N 425.309 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 1837456508 JFGQNZOHZGXIFS-HXUWFJFHSA-N 445.501 0.130 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1837658199 HHWBRQIWESXUCA-DNVCBOLYSA-N 444.891 0.278 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1838275809 RJYLGWILIXXHPT-HXUWFJFHSA-N 438.601 0.904 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)CN1 1838648535 YIRIQLWVCPBRSK-ABAIWWIYSA-N 434.306 0.812 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839111541 VOTMLUMXPYEMOQ-QFIPXVFZSA-N 430.310 0.183 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840151583 GWURPBWFWSKCIY-XLIONFOSSA-N 426.897 0.776 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1840151822 OHHXQRFOCWRTSW-WIYYLYMNSA-N 440.924 0.913 50 20 ICGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014991 WOHUJZAXKWMCSN-KOSHJBKYSA-N 445.284 0.093 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)CNC3=O)C1 1844133400 NYCBXODBSIZNQY-UHFFFAOYSA-N 434.456 0.059 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1844693300 PYRMEIRFXMZRIF-GFCCVEGCSA-N 443.420 0.585 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(F)c1 1845334133 AUODCXJAJPBIHZ-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1846384577 JDEDWZZOOUVICT-UHFFFAOYSA-N 428.415 0.685 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)s1 1846385503 OHZYYYDTRHVXFA-UHFFFAOYSA-N 436.534 0.654 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 1846503660 OLTHUDIQRUSAMH-QFIPXVFZSA-N 447.344 0.848 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(CO)c(F)c2)C1 1846913440 KFJOHOJPPXDHSW-UHFFFAOYSA-N 427.436 0.447 50 20 ICGD Cn1cc(Cl)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 12394168 NDOPPJIDUATHFA-UHFFFAOYSA-N 426.882 0.774 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)c2ccccc2c1=O 32204751 QGGLCXDHBCNWAK-UHFFFAOYSA-N 447.455 0.763 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)COc3ccc(F)cc3)cc2)NC(=O)NC1=O 726281624 ARZHZWVIZZBTOT-HXUWFJFHSA-N 429.408 0.790 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726522612 QCZZSZWRGYCWOD-ZDUSSCGKSA-N 426.477 0.999 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1 728203127 GNLCVMDSVYCDIU-INIZCTEOSA-N 448.549 0.954 50 20 ICGD CCC(CC)N1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 728328085 FTJRJKKHFZELMR-SUMWQHHRSA-N 433.461 0.554 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845113 GVARUUWOMRBHTP-SZNDQCEHSA-N 443.508 0.341 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCS(=O)(=O)C1 731116533 AXMDXXHZPSUSLE-PXNSSMCTSA-N 437.566 0.265 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(C)nc(C)n3)c2)CC1 736711600 CCFHBLFVFZYDTL-UHFFFAOYSA-N 432.506 0.703 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc3ccccc3cc2O)nc2c1c(=O)n(C)c(=O)n2C 738506121 RUYOHHVCLMCKBK-UHFFFAOYSA-N 433.424 0.874 50 20 ICGD Cc1ccc(OCC(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)cc1 744393603 QZDWJSUTLZMLOT-UHFFFAOYSA-N 435.484 0.851 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 744463394 AILQQMKQJUIDDY-KUGGDMIFSA-N 440.547 0.124 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 744576882 NMZJGVRTKKGDSN-UHFFFAOYSA-N 449.423 0.628 50 20 ICGD CS[C@@H]1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 745898341 XGGVTCHWWOLPEL-UONOGXRCSA-N 428.584 0.928 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 747473453 CZVYHDOEBWDEOU-LBPRGKRZSA-N 437.337 0.896 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Cn1ccc2ccccc21 749821695 FITBLWHLPNLIPP-UHFFFAOYSA-N 444.459 0.667 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 751212970 ZYASKXYVNRWSNV-JHJVBQTASA-N 436.490 0.064 50 20 ICGD Cc1cccc(-n2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)nn2)c1 751290425 LKKJBYCMJOLHHH-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 752258926 GLNRAPOUUQQACC-UHFFFAOYSA-N 429.813 0.973 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1ccc2c(c1)C(=O)NCC2 754133893 KTDTYRBFMVLHLL-UHFFFAOYSA-N 444.517 0.718 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 755040591 LVJKZUZCUQJZPX-JTQLQIEISA-N 431.927 0.680 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755533235 IHBHMIDDYXSCGO-DGCLKSJQSA-N 432.524 0.351 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 756361449 ZXBCONJYLILLKU-UHFFFAOYSA-N 428.497 0.395 50 20 ICGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 756867882 PXICHXUOMPAEMR-UHFFFAOYSA-N 428.474 0.850 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1 757772523 NRTFDRHBKWJYKX-ZIAGYGMSSA-N 432.481 0.936 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cccc(S(=O)(=O)NCC2CC2)c1 762850057 CJFSBWSMZGRZTJ-UHFFFAOYSA-N 432.506 0.758 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762930627 GVALECTZYWEYBH-UHFFFAOYSA-N 441.469 0.846 50 20 ICGD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763417320 PQASDXLBHKOFHQ-UHFFFAOYSA-N 436.837 0.946 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(Br)c1=O 763551363 NAOZVWLUQOEPIO-UHFFFAOYSA-N 437.206 0.276 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763578890 RGXUYAVILUQBGX-KRWDZBQOSA-N 442.428 0.127 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1C 763629750 SEQWJVWNKGYVAW-UHFFFAOYSA-N 444.473 0.259 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2ccccc2c1=O 763790815 PFUWXZUTKSLBBU-UHFFFAOYSA-N 437.412 0.841 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C 763848793 JCKXGHPZEMWAMA-CQSZACIVSA-N 427.461 0.954 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)o1 764168429 PCIQPDKZCLHFMY-MRXNPFEDSA-N 436.428 0.892 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 764226011 DOLVXSSMYRELOO-NSHDSACASA-N 428.536 0.745 50 20 ICGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccccn1 764267870 WHPWWQWRVKEXDT-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 764292516 CJARCWIHSTXCRI-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 764300624 UPIFUUNTBZNWSM-UHFFFAOYSA-N 427.244 0.936 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 764402069 XHGDNDLAOPOLMC-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD Cc1cc(Br)ccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764819242 ZRNXEANIQFABMW-UHFFFAOYSA-N 433.266 0.655 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1C 765119945 VYPJKOUAYUCQAS-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD COc1cc(C#N)ccc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 766258909 PJGQXXPLODOXRS-UHFFFAOYSA-N 428.401 0.992 50 20 ICGD CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 767192446 URKMERKGPGPCBE-UHFFFAOYSA-N 440.865 0.942 50 20 ICGD CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 768230748 GZFOQPMYGUCFOI-MRXNPFEDSA-N 430.392 0.453 50 20 ICGD CCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 768238521 BEUNKLHQIBOCJU-QMMMGPOBSA-N 438.289 0.913 50 20 ICGD O=C(NNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 781883309 OCPHHBHOYDXYQW-UHFFFAOYSA-N 432.437 0.956 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)n1 782118623 TUHZGSIFGOOTTH-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)nc2ccccc21 782893576 JOECHGSSQUPONS-UHFFFAOYSA-N 432.444 0.542 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)nc1 783264846 SERABLZRZJHUCO-UHFFFAOYSA-N 432.506 0.796 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CCS(=O)(=O)C1 783427984 SBQRDABTLQFUKU-KPZWWZAWSA-N 445.925 0.892 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cc(C)ccn3)c2)CC1 783931221 KROLSNRZVMIHRF-UHFFFAOYSA-N 446.533 0.798 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784210487 QPMHRSLNOCFMFW-UHFFFAOYSA-N 446.485 0.925 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Nc3ccc(OC(F)F)cc3)nc2n(C)c1=O 802047156 UHZLUIKOQPEHJY-UHFFFAOYSA-N 434.359 0.700 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564395 BFCWRINERXIVKA-CYBMUJFWSA-N 440.444 0.781 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNc3ncncc3Cl)c3ccccc32)N1 806990177 AXDCOPFAHNOYEN-NEPJUHHUSA-N 430.852 0.609 50 20 ICGD CC(CCc1ccc(OCC(=O)O)cc1)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 814785216 OATORNOROIMMLR-UHFFFAOYSA-N 449.489 0.159 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)sc2c1CCSC2 815778279 KAJVFLNWIWBXFT-SNVBAGLBSA-N 427.504 0.979 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)CC3CC3)cc(-c3ccc4c(c3)OCO4)nc21 819110286 XRGZTJIFJBBFTI-UHFFFAOYSA-N 437.412 0.991 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 914775284 IQJIVAITQFCQHS-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H](C)O[C@H](C)C1 920275693 HFJCYYQLJNQDEV-RVKKMQEKSA-N 440.566 0.832 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 920702022 CLAKLNQGRZJTFK-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD COc1ccc(OC)c(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 921182115 FBSOOQQKYIOLPP-GOSISDBHSA-N 430.413 0.777 50 20 ICGD O=C(COC(=O)c1ccc2nnc(C(F)F)n2c1)NNC(=O)[C@@H]1COc2ccccc2O1 1324026808 JWNOLBGRMFNXDB-ZDUSSCGKSA-N 447.354 0.811 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(F)(F)C1)CCO2 1779028251 ALELKWQXOULQPR-DJJJIMSYSA-N 437.447 0.564 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371170 KNYYBYRZZFIBLX-BDLVCKJPSA-N 447.536 0.220 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780850592 XBTWGKRYOIYFPW-HSZRJFAPSA-N 438.289 0.522 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331015 CVHFMRKPYIGQSI-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407708 LZTLBGAAYXJAMA-AVGNSLFASA-N 425.345 0.186 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1788653664 AYTWTPUUFRZUSH-HNNXBMFYSA-N 437.305 0.981 50 20 ICGD O=C(/C=C\C(=O)NC1CC1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1789425519 ORMUPZOFMUCDCU-SEYXRHQNSA-N 447.300 0.949 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925762 JFPPTJMKNVOGIS-HYFYGGESSA-N 444.305 0.947 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177643 VCXVFLBBYHFLPH-YGJAXBLXSA-N 449.932 0.063 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791063218 DDDFOOFECZYRNS-RCWTZXSCSA-N 444.248 0.428 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC2)cc1 1791599808 MJFMBUOQGLKIIN-HNNXBMFYSA-N 444.492 0.092 50 20 ICGD C/C(=C\c1cccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792461333 QVNVXDZMDMCGAW-OCPLZGMJSA-N 440.330 0.735 50 20 ICGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)cn1 1792870919 YLEPQGTTYCFUOK-OHTBPHCPSA-N 427.299 0.719 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887036 NCDFBIVVMRGUTR-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)[S@](=O)c1ccccc1 1792984326 XDMRMTPUEAWBLS-CBGKQBGISA-N 428.938 0.372 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)c(F)c1 1799001431 ZMVGZWRDXVVOQG-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1800756321 ANYMQXDDTOWOKN-JRATXPSKSA-N 436.310 0.804 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369158 BTXBTJRVYPICIQ-RXVVDRJESA-N 439.321 0.896 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807651 AMHIIWJBGGRMEV-YNEJBJPTSA-N 436.365 0.884 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350356 RVSSHIAPZOTXJL-CJNGLKHVSA-N 431.323 0.456 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cccc(O)n1 1816457991 LMQBEIBQUGXZBJ-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)CN)CC2 1817279955 MRJBKJRYQCJTRG-GGCJDZGJSA-N 431.522 0.784 50 20 ICGD Cc1ncncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472346 RBOYURIRACRWSN-GOSISDBHSA-N 434.265 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818805032 PGWRYDCUQYNXFV-STQMWFEESA-N 429.974 0.556 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)N1CCN(C)CC1 1822697023 IPQQSSHVQJCIAQ-OUCADQQQSA-N 429.974 0.291 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824187220 AOZRCLKRHAXOTI-CABCVRRESA-N 426.901 0.780 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827602153 CVJCOZVGUUPNIQ-MRXNPFEDSA-N 448.524 0.494 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cccc1=O 1833873452 NJDYHIKFFPWGED-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833900297 ARXZRMFUSLUGLY-GFCCVEGCSA-N 427.347 0.784 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834598189 ZZVKBEBSOGWAAK-PXAZEXFGSA-N 429.267 0.493 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835071832 PSWNBWCOLANQJZ-WIYYLYMNSA-N 440.924 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835136267 LJJDPOBIQAHMRY-PXNSSMCTSA-N 431.961 0.573 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)co1 1837422020 MZKYNRLEEOQJCK-HNAYVOBHSA-N 444.988 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnn(C)c3)CC2)CC1 1837468383 JTBVLYHEGCDSFQ-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1837592129 WDSFPDLUMJNBGW-GUYCJALGSA-N 429.315 0.500 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837631861 ABXDUWPGEDYORM-QGZVFWFLSA-N 431.276 0.280 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837662810 CWDQRFFMBLSTMA-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926852 YDADDNSUBFOASA-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198354 CGTZOVUOIXYGBS-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839317545 IONMHARIVFGRFK-DNVCBOLYSA-N 430.860 0.855 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839963454 KTSDGZWROKNVHQ-ZBEGNZNMSA-N 447.355 0.969 50 20 ICGD Cn1nc2c(c1C(=O)N1CCOC[C@]3(C1)CN(C(=O)C(Cl)Cl)CCO3)CCC2 1840190002 XKBNLUOIWXBHCC-SFHVURJKSA-N 431.320 0.783 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841925112 MNXOVEFKNZIGOJ-KBPBESRZSA-N 442.944 0.943 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCBr)C1 1842639556 CPBDYTOQSQJQLJ-CQSZACIVSA-N 426.315 0.445 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843415379 OFIYYWASCSKMDD-LPYMAVHISA-N 442.436 0.129 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1846385214 DTZWLSIJQMDITN-UHFFFAOYSA-N 445.476 0.720 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846768041 YDIOAANSDLRFBV-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556339 IIXHMWMVTPIIRC-XQLPTFJDSA-N 431.917 0.424 50 20 ICGD N#Cc1ccc(N2CCC(NC(=O)NNC(=O)CNC(=O)c3cccs3)CC2)nc1 727479820 OVYDZZLOMGHGSI-UHFFFAOYSA-N 427.490 0.744 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 732589936 HJKSLUVHYJAQAZ-LLVKDONJSA-N 438.432 0.558 50 20 ICGD O=C(NNc1ccc(Br)nc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 732838793 ZPWZSNYOXRLPAE-JTQLQIEISA-N 430.284 0.453 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2c1=O 735833403 CQEGCBCSOKPNNC-QHCPKHFHSA-N 435.484 0.814 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)cc1C 736308622 LFPCBTFYQPTQTN-UHFFFAOYSA-N 430.534 0.696 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 740851232 VRXUXIZAVYVLTL-UHFFFAOYSA-N 427.527 0.266 50 20 ICGD CN(CCCC(=O)NNC(=O)CNC(=O)c1ccco1)C1=NS(=O)(=O)c2ccccc21 741919998 PQTBCHVTJBZWIL-UHFFFAOYSA-N 447.473 0.018 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc(NS(C)(=O)=O)c1OC 742481168 PPLRWVOMHIFXBO-UHFFFAOYSA-N 425.467 0.350 50 20 ICGD O=Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1 742578153 WXSNNBHDVJUWTG-JTQLQIEISA-N 434.268 0.158 50 20 ICGD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744402232 KUDUUPCAERNOEF-YLJYHZDGSA-N 440.548 0.632 50 20 ICGD Cn1ccnc(NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1=O 747946018 RWSZWQKCLAZEBT-IBGZPJMESA-N 446.467 0.737 50 20 ICGD Cc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 753065574 IIMSULZOPYVTRB-QMMMGPOBSA-N 426.860 0.236 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 753333647 AGLZKNCIIFQODJ-UHFFFAOYSA-N 425.467 0.832 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1C 753839963 FSVCHLVTBQFEDZ-UHFFFAOYSA-N 438.238 0.596 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 753968212 SLVQKZSDBIABMI-UHFFFAOYSA-N 426.495 0.361 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 756640182 KXRQZDSFKPPYAI-UHFFFAOYSA-N 430.446 0.308 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nc(O)c3ccccc3n2)c1 758307208 DALVBCKSQFQECX-UHFFFAOYSA-N 446.489 0.671 50 20 ICGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)nn1 759210656 CTAGXPZTUJBESS-UHFFFAOYSA-N 440.258 0.847 50 20 ICGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 760196577 ZBKRKKYRPFXEEQ-CABCVRRESA-N 440.522 0.467 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1 761073230 RQKPRQFRCCMWKK-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 761742443 GUVIEKWSPVJICF-UHFFFAOYSA-N 439.519 0.491 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763663690 YBSGTNKJPGQFIE-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 763861882 SNAPFZTXSULGJB-GFCCVEGCSA-N 442.428 0.970 50 20 ICGD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 763998324 PGEFWFFJNLKWRP-OAHLLOKOSA-N 447.517 0.871 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 764002174 JPNGFQGCODYYPE-NSHDSACASA-N 431.898 0.895 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764277585 JVMOCOSJWXZKFD-CQSZACIVSA-N 428.445 0.782 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2)CCN1 764346284 UXXKLNUIBNUZSK-UHFFFAOYSA-N 447.455 0.208 50 20 ICGD N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1F 764426940 WOGQIIJZGTZJSE-KRWDZBQOSA-N 428.376 0.991 50 20 ICGD NC(=O)NCc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765733899 SJWACFVQHGKIGC-UHFFFAOYSA-N 438.488 0.074 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769621794 RCYJQYGGJUWMAY-UHFFFAOYSA-N 426.476 0.540 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc2c(c1)OCCO2 770424659 UNLQUPDXBNMCIU-UHFFFAOYSA-N 430.442 0.348 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 780363293 OADMKFUEKORASS-UHFFFAOYSA-N 428.448 0.468 50 20 ICGD CCNC(=O)N(C)NC(=O)CCc1c(C)nn(CCC(=O)NN(C)C(=O)NCC)c1C 780710349 ZMFCYCVSPRVCIJ-UHFFFAOYSA-N 438.533 0.208 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1 782765018 CSMGFDMZKRWMPU-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 783346614 UNBMIKUGUIMCQF-UHFFFAOYSA-N 432.506 0.553 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CCS(=O)(=O)C1 783427985 SBQRDABTLQFUKU-KZULUSFZSA-N 445.925 0.892 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]2CCCO[C@@H]2C1(C)C 783592436 DIPBOHGOMXYWFQ-YPENRWOSSA-N 438.525 0.855 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 783999529 POFPAOAVXCRXIK-UHFFFAOYSA-N 449.895 0.674 50 20 ICGD O=C(NNc1ccc(Cl)nn1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 784792332 PEAIPTZMHNAWJK-UHFFFAOYSA-N 428.833 0.792 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1 788231097 CIBCHDMSYIZDST-INIZCTEOSA-N 431.474 0.975 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)ccc1C(N)=O 789738626 FOOLLODXEGXQMP-UHFFFAOYSA-N 428.445 0.875 50 20 ICGD O=C(CCOCC(F)F)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 790138249 FTDPODKACNFBQC-UHFFFAOYSA-N 449.476 0.459 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)[C@@H](C)O)cc1 791811727 WDQRULHIMAPVJC-OXQOHEQNSA-N 449.529 0.866 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1OC 796127323 OYWHCRDHPZPTPA-CQSZACIVSA-N 442.538 0.068 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)NCC(F)(F)F 798313102 ATFSJDJPJYWRED-UHFFFAOYSA-N 439.235 0.682 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 801109618 VVNNQRYWLWHKKY-UHFFFAOYSA-N 434.474 0.319 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 802053651 AHIWTVOJQVKJPT-UHFFFAOYSA-N 447.473 0.282 50 20 ICGD NC(=O)Cc1ccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 812482173 TYLZPWUGUACOBF-UHFFFAOYSA-N 438.532 0.757 50 20 ICGD Cn1ccnc1Sc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815692308 OEUXDHPOFBALKB-GFCCVEGCSA-N 440.489 0.511 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 825615117 IQDVKXFSSUHPKO-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 844265581 ZCTWFTVYSLGKNA-QGZVFWFLSA-N 440.485 0.584 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(C)c2-n2cccc2)cc1 879839458 YPZZGCKFXNAOET-UHFFFAOYSA-N 430.490 0.601 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)s3)nc2n(C)c1=O 914437171 IAWBGWAAXRNDOJ-UHFFFAOYSA-N 438.263 0.531 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NNC(=O)C(=O)NC3CC3)cc2)C1 918227668 IDYSXOBHOUXDSV-CYBMUJFWSA-N 437.522 0.216 50 20 ICGD CS(=O)(=O)Nc1cccc2c1CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2 918740846 WGZFMWCLXTUCFC-UHFFFAOYSA-N 447.473 0.786 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 919890100 ZVDYIZKXUOCGBH-NSHDSACASA-N 434.312 0.908 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccnc(C)n1 1321905869 LKTUCUWFZNYTNM-UHFFFAOYSA-N 430.534 0.940 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1779545879 MRTWYDNOVZVRJX-CRAIPNDOSA-N 434.631 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181791 KWSMCMFKIODGIR-DYESRHJHSA-N 430.509 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1coc(Cl)n1)C2 1782209408 NABUYXOATYNBTN-AUUYWEPGSA-N 441.916 0.829 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783539546 LAYQHNMKXGAOEA-ZANVPECISA-N 430.221 0.278 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934903 KPEPJJXBLRPGLW-NRFANRHFSA-N 433.509 0.215 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783964434 SBPJCBVDYJCJQY-YDMUCJKGSA-N 432.359 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1785656551 PRGZBUQYXLLBGY-XMMPIXPASA-N 442.560 0.994 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)CC1 1788112094 QJVJPEHSCLZDRJ-ZQDZILKHSA-N 439.937 0.172 50 20 ICGD Cn1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)cc1O 1788145962 KTGYCTHWSQRTRE-UHFFFAOYSA-N 434.261 0.867 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1789860326 PAIMMTKVMWRWQR-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792217852 RPGLHIVELLOURZ-JWDCEHBHSA-N 440.880 0.396 50 20 ICGD C[C@@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1794142349 HWOZULASXVBSAQ-QMIVOQANSA-N 430.933 0.891 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1ON=C(c2ccccc2)O1)c1cccc(B(O)O)c1 1798325767 LURQYWHHTQZEJL-ISJRUSPKSA-N 449.272 0.353 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2)NC(=O)NCc1ccccc1 1799094724 HIEPWMHCTSYTIV-SCAQPMJSSA-N 439.463 0.187 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2)[C@@H](F)Br 1799349846 LXRNESIQDWJPNN-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1cccnc1 1805994365 WMKAUZBMWMNTNU-KSSFIOAISA-N 435.444 0.702 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807192757 CBQUNUMDYCNTKH-DZASIIFFSA-N 444.363 0.917 50 20 ICGD Cc1onc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1C 1807367230 XUGXGZLNIVAEHI-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369788 VTKTZSIHGNMDTG-SIKLNZKXSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1813071603 VCOZXRPYGROFBR-UZLBHIALSA-N 427.509 0.508 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235380 UZMCXGQVQOEPCD-ZYHUDNBSSA-N 437.821 0.380 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1819801119 GNMNPLBAYMCBMM-WSNQVKOXSA-N 442.501 0.260 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)Br)CC2 1820201448 REVRRRRIEGEQNE-QRTLGDNMSA-N 447.355 0.990 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)nc2cccnn12 1821261354 CSBJGGYACBEVHD-JOYOIKCWSA-N 448.892 0.372 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825381140 BPGQUKBVBQJSEL-IBGZPJMESA-N 431.537 0.926 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)C3CN(C)C3)sc2C1 1827268675 OIRNAALVRRGFAO-BTIIEKFUSA-N 443.533 0.751 50 20 ICGD CC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924555 SGPSWILRNAFYIX-SFHVURJKSA-N 430.509 0.055 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1828925237 FSJJQGNMOOWUDP-WCIQWLHISA-N 441.532 0.811 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1830537589 KYIAXWUWCOIAPR-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831727969 XFJYWCWXJURGDN-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1832008483 PTJJTMKCAJVFOX-XLPNERPQSA-N 434.892 0.957 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833041100 QCJOWTZDQIKPHR-QFBILLFUSA-N 428.917 0.210 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122924 LDLHDYPGNDSJNA-INIZCTEOSA-N 438.645 0.936 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833199199 LEGAHZATVDVEMW-FXAWDEMLSA-N 438.601 0.827 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1 1838734702 HRWHOJNFUJIOQF-QGZVFWFLSA-N 425.283 0.741 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839148337 VODAKXYXLQWFND-KXBFYZLASA-N 426.901 0.589 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840034449 LVPKMVDGNWKWKU-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458961 JIXZCJKCAQMHDS-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840463132 RYJSDKOPMNVSEA-FXAWDEMLSA-N 427.929 0.979 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2cccc3ncccc23)C1 1841589716 XSZXHWSUGLYATC-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD O=C(c1cnc(-c2ccccn2)nc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013590 NOURKTJNNXOMDJ-UHFFFAOYSA-N 443.272 0.349 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(Br)cn2)C1 1844424108 BQNDDYUXFWKTHC-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845541133 AWMSMIWVAYCXQR-UHFFFAOYSA-N 439.233 0.419 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c1 1848084935 XXIFJGOXCMQBMO-SFTDATJTSA-N 437.305 0.327 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727010892 PXMXNWSKMSTYMP-UHFFFAOYSA-N 444.831 0.954 50 20 ICGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216322 WEQMSPSVVNHUMB-NVXWUHKLSA-N 426.539 0.650 50 20 ICGD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728380388 RVBGFESMHZISDW-HIFRSBDPSA-N 443.547 0.445 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 728474143 VYSJNTMMGJFHRN-HNNXBMFYSA-N 427.417 0.355 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)Cn1ccc2ccccc21 731989993 FQCCEZGBJWLRKW-LJQANCHMSA-N 427.505 0.502 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)CCSc2ccc(F)cc2)CC1 737065275 PYCACKJNKXAIAU-UHFFFAOYSA-N 439.513 0.719 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746186030 VDUGDKXYWVYFHB-AWEZNQCLSA-N 427.442 0.020 50 20 ICGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 754977378 OFXSYGATOXFODE-IBGZPJMESA-N 437.474 0.654 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1C 755515167 KLBHANOQDGLLJK-UHFFFAOYSA-N 444.473 0.617 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756071752 GZKKANSOCCRIBP-ACIHENLCSA-N 441.510 0.704 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c2ccccc2O1 763665846 PHYZDMYPOGBJCV-GOSISDBHSA-N 441.440 0.797 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)CC1 763807354 AMNNRNCIVNVEKW-UHFFFAOYSA-N 436.472 0.475 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763817149 CVQGWGLXADEQOE-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD CC(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763824725 QSEMURCZIHIFME-UHFFFAOYSA-N 447.517 0.451 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 763859433 AXUKOWKOAQLLRS-ZDUSSCGKSA-N 443.460 0.736 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 763872679 PIURWYGZMCPYJA-GFCCVEGCSA-N 444.448 0.307 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1 763900756 BTXYLGGOCADHOM-UHFFFAOYSA-N 434.449 0.958 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c(OCC(F)(F)F)c1 764357896 FCDUDGIEVZSBBS-UHFFFAOYSA-N 443.338 0.548 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CSc2ccccc2OC)c1 764394085 VWAWJHAQHRBZCJ-UHFFFAOYSA-N 446.485 0.942 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3F)cc2)c1=O 764412566 IDQOQWFNJSSAKZ-UHFFFAOYSA-N 432.799 0.763 50 20 ICGD COc1nccnc1NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 764470321 XYGLBJVHOVCXCA-GFCCVEGCSA-N 433.446 0.566 50 20 ICGD O=C(CCn1cnc2sccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772194900 DYFLUVCVGYPVMB-UHFFFAOYSA-N 433.877 0.965 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 780828914 KXJUWPQHBHUBBG-UHFFFAOYSA-N 427.465 0.628 50 20 ICGD CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783428734 WTCUCBCFQBTGAR-SFHVURJKSA-N 426.495 0.458 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783847857 VJSLUECQEBGPKA-ZBFHGGJFSA-N 426.495 0.454 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)c1 784852469 LROGSZFDVFKVSQ-UHFFFAOYSA-N 449.441 0.745 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1O 785437911 CFMRAHFXNNEVEG-UHFFFAOYSA-N 430.442 0.360 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNc1nnc(-c2ccccn2)s1 788562477 LGGYPNITDLWLKM-HNNXBMFYSA-N 431.522 0.757 50 20 ICGD O=C(NC[C@@H]1CCSC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 790885760 VBYHRXGDBUPFDZ-ZDUSSCGKSA-N 428.536 0.405 50 20 ICGD CSSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 793078587 OORRXPJXKIAQKG-UHFFFAOYSA-N 432.593 0.689 50 20 ICGD Cn1ncc(I)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 796607003 JHOUIQOVBONJPV-UHFFFAOYSA-N 428.186 0.643 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799249206 QZYYBLGTYFNQFK-NSHDSACASA-N 446.302 0.885 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1cccc(CS(N)(=O)=O)c1 800717850 TVVJLZPHFRNGJP-UHFFFAOYSA-N 436.490 0.783 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 806972750 KDQASCGHFNZRGW-QGZVFWFLSA-N 426.429 0.704 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 807609573 NYQGJBUEDMFYLK-INIZCTEOSA-N 443.485 0.731 50 20 ICGD CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1 811682486 XKZJDMRDSUJZBF-UHFFFAOYSA-N 434.540 0.398 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729661 SHHSDTUOEGFWQL-INIZCTEOSA-N 432.568 0.974 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2c(C)noc2n1 812883961 AUKWYKPXAKRMCC-OAHLLOKOSA-N 426.385 0.984 50 20 ICGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 816916190 YMNBZKWPQIOVRE-UHFFFAOYSA-N 425.492 0.235 50 20 ICGD CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 896308282 DJDPGPFDSHOVPG-UHFFFAOYSA-N 430.914 0.643 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 1116684258 MZHYOTXBBMMZFY-UHFFFAOYSA-N 449.514 0.746 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1318008609 VXTSPWWEFMUGDF-UHFFFAOYSA-N 439.519 0.527 50 20 ICGD CS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 1318136324 NMNVQBYISUAWJE-UHFFFAOYSA-N 439.515 0.779 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777822249 GVDXWLXUUAPXFW-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041645 JGYACBGRIXSZKD-LRDDRELGSA-N 435.388 0.474 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780391821 HOUCPIBKPPBQDH-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781202015 SUSTVHXWURKBQW-KBXCAEBGSA-N 437.896 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)C(=O)CC4)C2)C1 1782312783 ZDLAFHKSJZSUFP-HSZRJFAPSA-N 442.516 0.632 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782550935 JIVSGINPMJZISE-SQGPQFPESA-N 426.945 0.693 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783877022 ZOAQUWHUMRMXSG-VLIAUNLRSA-N 436.896 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C(C)(C)C)cn1)CCO2 1783935179 QJWOXSNFSCPINB-JOCHJYFZSA-N 446.552 0.591 50 20 ICGD Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)c1=O 1784733974 SYFPWIUMHXYBMX-PYJNHQTQSA-N 430.274 0.669 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979955 TXZKJQXSNIKJFN-WDSOQIARSA-N 428.319 0.264 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786982886 GNFGZYYOFKHMCV-VCOUNFBDSA-N 447.300 0.755 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1)c1cc2n(n1)CCNC2=O 1787568162 WMMYXDJAXWCLCR-INIZCTEOSA-N 431.880 0.974 50 20 ICGD O=C(CN1CCCC1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1787914137 LCNHIHRDHHQXNB-UHFFFAOYSA-N 435.289 0.737 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1790963451 BSSDIYKDLOTLIR-XQLPTFJDSA-N 441.326 0.397 50 20 ICGD COc1ccc2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)c[nH]c2c1 1792975290 PXEWHMJUESONRH-ZZXMYQEDSA-N 435.908 0.908 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983949 VVOFBQNVGBSGIR-LXTVHRRPSA-N 447.960 0.727 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793449142 UCGBAYQFYPEDPE-KYZVSKTDSA-N 433.896 0.700 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1C 1794826626 LITVAZWTZWEHTE-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(F)c1F 1795740955 RQQWOEUYUDEFLH-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1796446430 WIYIFBBXWYGKOU-DHMDNZFNSA-N 441.492 0.066 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797025632 VTPDZPVKZZGJSZ-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cnccc2[nH]1 1797518818 NCGHAUZFGHEYJF-YVWYUNDQSA-N 428.493 0.139 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)[C@H]1SC(=N)NC1=O 1797956039 XAKPPBSFJFDEFR-GGUBGCTKSA-N 442.614 0.230 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C(F)F)c1=O 1798668341 IXVQQWXCNQSBIV-BTTYYORXSA-N 439.463 0.868 50 20 ICGD Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1Cl 1799027196 JQMXMXMWDURCOL-ZSBIGDGJSA-N 431.884 0.638 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Br)CC1 1800159206 DWJASSHKBRSIMT-FQLMCAECSA-N 433.322 0.479 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1800979555 OZILBAQPOJZITD-XGYYKPKNSA-N 438.912 0.043 50 20 ICGD O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1807027990 FZWRCAFMYIQZKK-DGCLKSJQSA-N 439.236 0.616 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1807982359 VIMDYDOECVVHEJ-UHFFFAOYSA-N 434.541 0.647 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccccc3)C2)CC1 1809450146 WJEVZQJHVQXVOD-NRFANRHFSA-N 436.317 0.945 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@H](O)c3ccccc3)C2)CC1 1809456565 WJEVZQJHVQXVOD-OAQYLSRUSA-N 436.317 0.945 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C1(O)CCC1 1809967481 JILARXZCHXDIBC-QGZVFWFLSA-N 428.338 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1810307708 GOAKBCSWHJXECQ-KUHUBIRLSA-N 436.472 0.379 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Cl)[C@@H]2c2cccnc2)c(=O)nc1O 1814038997 KCGQIPUQOIQYFS-IMJJTQAJSA-N 437.859 0.893 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1)CC2)c1ccc(B(O)O)cc1 1815347830 SANZJPNKWSCMIO-DZGCQCFKSA-N 431.348 0.944 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)nc1)CC2)c1cccc(B(O)O)c1 1815360145 ABDMEVNCZJPXAU-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)N(C)C)CC2 1817279802 GPWCRJAMAWECLH-QPDIMOPTSA-N 445.505 0.277 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cncn1 1817479221 KUAAYDYQKJKMAZ-CXAGYDPISA-N 437.269 0.248 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410730 RTPQFNIGTFJYOX-HNNXBMFYSA-N 435.529 0.690 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1)C(Cl)Cl 1822418834 ZCQIYUCUISCYRG-SECBINFHSA-N 428.213 0.930 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824592772 XVRROXCMJAAMQI-KDOFPFPSSA-N 444.536 0.430 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080327 BIPRZLLRTSKJRE-KGLIPLIRSA-N 447.565 0.961 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cccn1 1826855854 WCGMQYMFOWEREV-WFASDCNBSA-N 439.306 0.506 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n[nH]1 1830543620 WNKLORHZEHYJKE-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831968204 UKNUFEZBPCDUAU-FZKQIMNGSA-N 433.839 0.684 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1832931225 MURBQOJNQMQEIF-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1833938282 JAIDELHLPXLWSK-MRXNPFEDSA-N 439.944 0.172 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)on1 1834210018 TWHVGRYWZFMRAV-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834958512 CZFFWFJEQOXAMW-VQIMIIECSA-N 430.860 0.261 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@H](F)Br 1836413357 DAAIOXTWWHMPMO-OLZOCXBDSA-N 428.730 0.848 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837028025 YELXZQJRAJOWQM-DYESRHJHSA-N 448.907 0.954 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cncn1 1837717647 LLFICONYVVDDFI-CRAIPNDOSA-N 425.562 0.147 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838198715 MDBQOCZRYQFSSL-UZLBHIALSA-N 440.928 0.471 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260572 UFJYTQJSZDKFHW-MEDUHNTESA-N 447.717 0.983 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839143358 UNDBJZZRLPESCT-AUUYWEPGSA-N 426.901 0.474 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839963858 YZEWFQOJCJEDIU-RHSMWYFYSA-N 429.315 0.664 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1840151087 VYDCYXMTDRTWIV-UZLBHIALSA-N 442.944 0.962 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010678 QRXPCQBMRYMDSM-UHFFFAOYSA-N 431.204 0.494 50 20 ICGD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1C(F)(F)F 1843013627 QXGRHVFONNTWES-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c([N+](=O)[O-])c1 1846385488 MKMHTIFFNHONHW-UHFFFAOYSA-N 447.492 0.722 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847806741 PQWBWSIHARVJJQ-HOJAQTOUSA-N 441.532 0.573 50 20 ICGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1=O 9945472 VEOQNVPUZUHOBU-SFHVURJKSA-N 440.840 0.373 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)s1 11761414 XVLAILQMSCVDJS-UHFFFAOYSA-N 436.475 0.431 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 15795394 YMGQDKNOXMOMMJ-GOSISDBHSA-N 433.486 0.959 50 20 ICGD O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17517514 HTXYOMHFEKPYNY-UHFFFAOYSA-N 448.476 0.801 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728848004 SKQTVJCLGZDHGL-UHFFFAOYSA-N 448.505 0.336 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)NC1=O 729300396 NCZGDRNWTIRVKR-MRVPVSSYSA-N 438.849 0.782 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN(C)C2CCCC2)cc1 729622565 NGYAMPHCMMYRCY-UHFFFAOYSA-N 425.555 0.820 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)COc2ccc(F)cc2)c1 731433333 AKWJADASHPJDQH-UHFFFAOYSA-N 438.437 0.996 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 732083957 AVYJHVUUWKIOBO-GFCCVEGCSA-N 436.450 0.488 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(CC(F)(F)F)C1=O 732573658 WCWDNSYFJYDQOK-VIFPVBQESA-N 436.416 0.087 50 20 ICGD NC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 735494899 JXPGRCMJWBJIGJ-UHFFFAOYSA-N 426.433 0.277 50 20 ICGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(Br)c2)CC1 743686378 KMBUSHYJIXVOJV-UHFFFAOYSA-N 438.282 0.226 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)c1 744708453 JIXNWPLCONFYMJ-GFCCVEGCSA-N 425.488 0.728 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 750014250 JJXFDCIAZABFKC-UHFFFAOYSA-N 444.853 0.228 50 20 ICGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753967745 OWQBXZATEIIXCP-ZBFHGGJFSA-N 440.522 0.609 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=CC1CCOCC1)c(=O)n2Cc1ccccc1 755555166 QBNNZLNJZYXCBF-UHFFFAOYSA-N 438.488 0.957 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccc3ccccc23)cc1 756154761 HWGWKFXIOUTZFT-UHFFFAOYSA-N 426.454 0.816 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 763470912 QANYKZSVVJTIOT-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C 763548632 OVFCVZUZEFRCRG-UHFFFAOYSA-N 448.457 0.885 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 763916975 MNBJPUFUOSPRMF-UHFFFAOYSA-N 435.322 0.961 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1-n1nnnc1C1CC1 764230501 AMJZESAECUDPQB-UHFFFAOYSA-N 446.427 0.820 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cccc1C(N)=O 764388593 UUBXTLMTAJFGPP-UHFFFAOYSA-N 440.391 0.723 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764524346 LKOHXFARCOOSSP-UHFFFAOYSA-N 442.476 0.140 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC 766957968 UNFLQQDUOBLCBM-IAGOWNOFSA-N 431.493 0.786 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1sc(S(N)(=O)=O)cc1C 767310398 SWVDTFYYJQLHKC-UHFFFAOYSA-N 425.488 0.559 50 20 ICGD O=C(NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C(=O)Nc1cncnc1 768233847 OIKFFODPBNAGOY-UHFFFAOYSA-N 443.427 0.578 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 771953696 OIBIWPRXTUUFOD-LLVKDONJSA-N 447.460 0.855 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1 773071529 DFKKDGQOFKMJKY-UHFFFAOYSA-N 431.474 0.803 50 20 ICGD COC(=O)c1cncc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 774336339 YKTUBRJOPXXSTD-UHFFFAOYSA-N 425.489 0.755 50 20 ICGD COCCCOc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 775279460 XOEAZSNYSNZFPW-JTQLQIEISA-N 443.931 0.003 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 779373487 PJZIGDVIFUARAZ-LLVKDONJSA-N 426.886 0.926 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)cc1C 780352390 QUJQKZYHZWFOLX-STQMWFEESA-N 425.507 0.807 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)Cn1ccc2ccccc21 780388123 WCDHHXWVQYPQQX-UHFFFAOYSA-N 436.515 0.901 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782897524 QFHOPYPEVSLLBW-UHFFFAOYSA-N 448.461 0.904 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 784001748 CRHNJYUWDMRDPE-UHFFFAOYSA-N 439.222 0.567 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 784003488 HBUQVLBAYIRXLU-UHFFFAOYSA-N 429.458 0.613 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 784004662 IWAJIJIUABCOPT-UHFFFAOYSA-N 447.542 0.817 50 20 ICGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 784690269 IMHKHWYNIOVYEV-UHFFFAOYSA-N 432.864 0.550 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1F 794068936 DCJCRUVVTBBFBS-UHFFFAOYSA-N 438.437 0.421 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)n1 796541108 MUWANVNHYAUIQG-LSDHHAIUSA-N 439.538 0.511 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1C 798307955 JVULRNADVPQLSP-AWEZNQCLSA-N 443.485 0.628 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 798308646 JCECEGMPOPJJNI-HXUWFJFHSA-N 445.476 0.005 50 20 ICGD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857127 QORKBVRFFQTCBM-LBPRGKRZSA-N 444.477 0.357 50 20 ICGD Cn1nnc2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccnc21 801082196 KFYQSONKZVNACD-UHFFFAOYSA-N 443.489 0.613 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)cc1OC 802036034 PLZOWMWBPIAQGM-HNNXBMFYSA-N 427.461 0.765 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] 813033374 QKGFLMFEOVONBT-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 814223470 IJEKKPWKHQFDGS-LBPRGKRZSA-N 426.429 0.996 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc21 815551484 VYAPPKAWNARRAI-UHFFFAOYSA-N 440.403 0.820 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1c(F)cc(Br)cc1F 815692119 JQEABZJJCLBNIC-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(N)(=O)=O 815730026 SQZFBAWTCZTJTR-LURJTMIESA-N 436.334 0.961 50 20 ICGD O=C(NNC(=O)c1cccc(CN2C(=O)CSC2=O)c1)c1ccc(-n2cnnn2)cc1 894390109 DFUYWENVBQDFQW-UHFFFAOYSA-N 437.441 0.933 50 20 ICGD O=C(CN1CCCNC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 915259624 FWDZKYIAOIXENZ-UHFFFAOYSA-N 445.501 0.341 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCNC(=O)c1cccnc1 916443641 RESQPLRNZDUPTI-UHFFFAOYSA-N 439.520 0.354 50 20 ICGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 920745227 JPNQQIMUYXOKLN-UHFFFAOYSA-N 425.511 0.272 50 20 ICGD CCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 920823098 PNZFDBRPBASKJG-UHFFFAOYSA-N 427.527 0.518 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 928980860 LSJQRWAKNYMGHM-MRXNPFEDSA-N 449.441 0.202 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 1319219393 JWNDWSVKGXRZLX-IBGZPJMESA-N 449.511 0.742 50 20 ICGD O=C(c1cnc2ncccn12)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777931405 IKEVIYBXKWZHLU-WBMJQRKESA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1779031639 CLZJGEVPGAIFPX-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC=CCC1 1779033725 CIOCHQCSAKOOKI-FGZHOGPDSA-N 427.505 0.875 50 20 ICGD CCc1cnc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1779303275 NMXQKZUEJMFDGL-FQEVSTJZSA-N 429.307 0.143 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781219086 VHQCSLLXOBCMSR-KUHUBIRLSA-N 440.953 0.739 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333521 IBSZVSOZJMDVBP-HOCLYGCPSA-N 431.262 0.635 50 20 ICGD Cn1cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2n1 1782242331 PXINAGWQXQVCPK-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782349835 BQTAZRPGKUAJSP-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD Cc1ccc(C)c(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1783289390 HCKBHLXWRAUVNE-DEOSSOPVSA-N 436.317 0.669 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1783935535 VRPGNSAKWIEVOZ-FQEVSTJZSA-N 449.464 0.117 50 20 ICGD COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786012153 NUIRQOZHGCYBOW-XIRDDKMYSA-N 433.509 0.057 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1 1786689399 BDVSZCWOQSZAJF-MRXNPFEDSA-N 443.953 0.451 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccc1F 1786980138 MTAFFSYAGMRYST-KNBMTAEXSA-N 441.268 0.116 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 1787508301 DRNWPHDRRAEJLC-ARQYOALSSA-N 441.492 0.445 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788629128 HVRJASKZCVIZFR-CXOVXGEYSA-N 444.305 0.947 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)N1CCN(C)CC1 1789797335 IOYMGLLXNAXFRZ-UVPYHEFZSA-N 449.365 0.293 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790380509 WVGCFXBRFDIBHM-HNKHHVNMSA-N 438.887 0.975 50 20 ICGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791182768 FDXUPWJXJFDNIV-QCQGSNGOSA-N 434.306 0.669 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4sccn4c3)C[C@@H]21 1791289180 MPDVFKPJNULDQW-XIRDDKMYSA-N 447.561 0.967 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1792097862 KMARPUYDEYOHFN-FJIDUMEYSA-N 437.924 0.581 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793453781 XBCLRWQGHVRBSS-LOUJCGABSA-N 440.884 0.754 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(Cl)cn1 1796209411 FSJSWVGRSJLSCP-BTTYYORXSA-N 431.884 0.487 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc[nH]1)C2 1796440194 HNHLCYXDLCVRCA-FFZFCVPESA-N 440.504 0.671 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@@H]2C1 1798316575 DWNNLUNFIWRYPD-FFWIBEFTSA-N 426.521 0.277 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357304 UGGKEGNXVGJIPP-WMEBDMIVSA-N 430.292 0.015 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799154593 ZYXAVSSLLDIPLL-LGYSWQCXSA-N 427.929 0.231 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)CCOC1 1799332707 AYOHYQDROMERLX-ZRKYPZEGSA-N 449.907 0.794 50 20 ICGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CO[Si](C)(C)C)C4)cc2C1 1800128254 PKCHDNUGHLVZDO-CWPLJXCYSA-N 449.628 0.773 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1800759443 PMCWSYSVGOYMGW-OHTBPHCPSA-N 427.299 0.652 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2 1801012264 RKTJRXXRRULRTA-ZPXGPAEQSA-N 428.533 0.753 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805515155 MBVKMTOJGYNVOU-GJZGRUSLSA-N 447.960 0.703 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367789 MJXVMSVBQIENME-IHPCNDPISA-N 439.346 0.977 50 20 ICGD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807512353 CQUCSFWQOWPBLM-GCJKJVERSA-N 447.304 0.057 50 20 ICGD COCC(=O)N1CC[C@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1808414880 NXVOSWUABVMWKI-AMZZFQKZSA-N 426.477 0.868 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970953 DZOVOQUPYRCXMK-KRWDZBQOSA-N 443.353 0.516 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816751796 OLIXYKOFXISOSD-OAGJVSPASA-N 440.265 0.515 50 20 ICGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820079044 XNCPAFNAHACGFC-CHWSQXEVSA-N 448.553 0.356 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)[nH]n1 1822416801 PZCFMYKMUSJXFP-ZFWWWQNUSA-N 433.513 0.301 50 20 ICGD O=C1CN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](F)Br)sc3C2)C(=O)N1 1823002785 RVMOHVDGWLSTGS-UPONEAKYSA-N 448.274 0.297 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008982 JRNKHZDYGNSAOR-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1830533683 RQLFKXXMCWPOCN-DDUZABMNSA-N 445.310 0.800 50 20 ICGD COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830725977 MZWJGXAYUOWPAJ-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)c1 1830732036 PLZDQUKERLXPPT-APWZRJJASA-N 428.869 0.071 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733297 HZUMPKOAJHICQO-YJBOKZPZSA-N 445.831 0.404 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831174626 FOJCHTDMJXKIIR-IYOUNJFTSA-N 448.358 0.389 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831501874 QKVYLCFKOFZWBA-XSWJXKHESA-N 435.359 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc(O)n2)CC1 1831871202 MXJUVJWRADURLH-MRXNPFEDSA-N 448.524 0.494 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1=O 1831887607 BRMFEAMLFRSACY-CXAGYDPISA-N 446.273 0.146 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312517 PVKAXCXCWOQKQY-RHSMWYFYSA-N 430.977 0.463 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312519 PVKAXCXCWOQKQY-YOEHRIQHSA-N 430.977 0.463 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836846 GCYVCCGDCRTMFK-MEDUHNTESA-N 429.271 0.036 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834120123 FKOXNPMCZWUQHA-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589165 JISXTBVZVGEDHM-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD Cc1c[nH]cc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798500 CPPIAUGVMZENOD-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD COCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835234793 DTICIUQVGNFHBO-INIZCTEOSA-N 428.917 0.606 50 20 ICGD O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835451556 WOILPICCIBKBLP-INIZCTEOSA-N 430.933 0.000 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835847140 QBWQGEPQHYEYKB-BDJLRTHQSA-N 447.355 0.969 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835976626 SXIOEXIONGVZNP-HNNXBMFYSA-N 425.700 0.797 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412760 SXUIIYDNBCCKQC-AWEZNQCLSA-N 431.310 0.989 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)C(Cl)Cl)CC3)CC2)N1 1837118038 REHUAJJGWMSUIH-LBPRGKRZSA-N 435.308 0.387 50 20 ICGD N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1837790767 GXQUHEVBRKOQQE-UHFFFAOYSA-N 425.294 0.282 50 20 ICGD C/C(=C/C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(=O)O 1837922218 YRRVEUQDQOYVMO-SQFISAMPSA-N 444.293 0.010 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1 1838519560 VFDDRDPUKYTZQA-BEFAXECRSA-N 429.901 0.485 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838932504 KELRZTKIDADFFU-XLIONFOSSA-N 442.896 0.374 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840150394 JRODHSPUYBSNBD-GUYCJALGSA-N 433.292 0.454 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190998 ZDQBDFAATLQCMI-SFHVURJKSA-N 433.336 0.840 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841422438 VPJYITYYTZVUMV-LJQANCHMSA-N 431.537 0.553 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2ccc3ncccc3c2)C1 1841759131 RFUNDOSAYPQWTN-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011857 BVONCJPCRJCVAB-UHFFFAOYSA-N 431.298 0.097 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039467 RINUUQBIAVXADX-MRXNPFEDSA-N 444.536 0.061 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 12511247 QVHQGKRKTPDDKV-UHFFFAOYSA-N 428.401 0.946 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC 18995895 GUKLYCSIQKRWOH-UHFFFAOYSA-N 429.476 0.365 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110548737 OVJDJEPTUNGDQN-BMEPFDOTSA-N 430.486 0.378 50 20 ICGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 726716489 DRXGFRXLEVVYBO-AWEZNQCLSA-N 441.510 0.177 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c(C)c1 728205342 BGIOJYAJTWWSPV-UHFFFAOYSA-N 436.490 0.790 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)nc1 729623185 HAODSRHGGNGFIQ-LSDHHAIUSA-N 428.559 0.847 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Br)ccc2O)c(=O)n(C)c1=O 730569137 PKRXPNSBGQFCRK-UHFFFAOYSA-N 428.268 0.190 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1cocn1 730912728 UEKYSHKHNLEUTE-UHFFFAOYSA-N 437.478 0.159 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)c1cc(Br)c[nH]1 741741574 ZEMLSAKNWSFKKI-GFCCVEGCSA-N 437.254 0.729 50 20 ICGD O=C(NNS(=O)(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 742024993 GOAMWWJPVYYZJP-UHFFFAOYSA-N 430.552 0.826 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 744494379 DTRMIDHFRMQDKD-UHFFFAOYSA-N 430.442 0.038 50 20 ICGD CC(=NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 745602998 QKVSWCAACVFQLZ-UHFFFAOYSA-N 426.495 0.938 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(Br)cc2)c1 758036744 UXHDPAYGHWWRTN-VIFPVBQESA-N 430.284 0.334 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCOCC1 763444660 YZEQIBQEFRYILN-UHFFFAOYSA-N 427.417 0.827 50 20 ICGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763509236 ONFGYPSTWGQFTG-UHFFFAOYSA-N 449.489 0.730 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3ncccc3c2)c1 763719159 VUISRSZOTICRCC-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763803980 QGAFPYILAOJZRD-UHFFFAOYSA-N 443.416 0.390 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 763807375 AYCUBKLWUFWOMF-UHFFFAOYSA-N 449.423 0.767 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1Cl 763807947 SFTZXTPDULCHPM-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1OC1CCCC1 764001938 HBJMDUHLQGZTDD-LLVKDONJSA-N 427.454 0.668 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ncn(Cc2ccccc2)n1 764350241 BVPOTOFGSGQUIO-UHFFFAOYSA-N 430.428 0.912 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 764393894 SUFTUXYVYPLVLQ-UHFFFAOYSA-N 438.487 0.221 50 20 ICGD Cc1nnc(Sc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c(C)c2)s1 764424329 IHLRSLFFZSGSOA-CYBMUJFWSA-N 437.503 0.807 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc(C(=O)O)cc3)CC2)cc1 765127807 RBHJMDOGUSZIMD-UHFFFAOYSA-N 446.529 0.821 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(-c2ccncc2)on1 765731969 DKCAYLWJKGVCHX-UHFFFAOYSA-N 434.456 0.956 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCC(C)(F)F)CC2)cc1 766635663 BTTUUSSUPYPMPA-UHFFFAOYSA-N 432.493 0.884 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)c2ccccc2c1=O 767170763 RQQOWZSATYWGQX-MRXNPFEDSA-N 426.477 0.811 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767456048 AXMYRPRABBJNBM-GFCCVEGCSA-N 441.437 0.574 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n1 768236888 GBZVZZXEEKREHJ-UHFFFAOYSA-N 425.453 0.385 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)ccc2Br)cn1 770233586 QGKBDFXXIHXRRO-UHFFFAOYSA-N 443.279 0.836 50 20 ICGD O=C(CCN1C(=O)COc2ccccc21)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191096 AKLNKXIWECGKLV-UHFFFAOYSA-N 430.848 0.919 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(C3CC3)nc21 778442666 YTZQCLHAFBWHMJ-UHFFFAOYSA-N 432.437 0.197 50 20 ICGD COC[C@@H](CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)OC 781387788 NTFMYFPHRSAZNH-GOSISDBHSA-N 439.476 0.994 50 20 ICGD COC[C@H](CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)OC 781387789 NTFMYFPHRSAZNH-SFHVURJKSA-N 439.476 0.994 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 783811485 HAFOGFBTMSDPSG-UHFFFAOYSA-N 437.386 0.776 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784210329 NTXHOCLGAZMCIP-UHFFFAOYSA-N 446.485 0.925 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(-n2nccn2)nc1 784833999 XCHXCPIQCAKMNP-UHFFFAOYSA-N 437.388 0.740 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cn2)C[C@H](C)O1 784834015 QPJMNJSTYCALCJ-STQMWFEESA-N 445.436 0.509 50 20 ICGD NC(=O)c1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 786614941 QSLGQVSRYKLRDN-UHFFFAOYSA-N 431.474 0.430 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NCc2ccccc2)cc1 787372903 OAYKCTXPTYODJT-UHFFFAOYSA-N 433.490 0.844 50 20 ICGD CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccccc2I)CC1 788168875 GUOAFXXZMPXDQE-UHFFFAOYSA-N 445.261 0.009 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792459000 DLSRXWAQJANKTA-UHFFFAOYSA-N 431.430 0.950 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1 792651672 KJPXWLPYZNIWPE-KRWDZBQOSA-N 441.366 0.433 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794075276 HEJVRRUUGYMJIM-UHFFFAOYSA-N 448.501 0.466 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 796092717 NLZDPZPTYACYIY-QLPKVWCKSA-N 428.445 0.975 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 797369052 MUWMFPPNLZKVMS-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 797678907 BAOLTACTCXSKGW-UHFFFAOYSA-N 438.444 0.833 50 20 ICGD CCn1ncc2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(C)nc21 799575731 FCMIDKNGVFVHGT-QGZVFWFLSA-N 439.428 0.904 50 20 ICGD CCOCC(=O)NNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802465088 HNYNJCFNBGAROE-LBPRGKRZSA-N 441.451 0.837 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(F)(F)F 805110560 YPXFVYKPRMCXCQ-CYBMUJFWSA-N 448.427 0.639 50 20 ICGD N#CCNC(=O)CNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 807553809 YRINZYRHRNISBM-UHFFFAOYSA-N 437.526 0.739 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)nc1 810392514 WYDRHCJMAZMNFF-UHFFFAOYSA-N 448.461 0.181 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 813033434 SLBSBLPQGPKLNH-UHFFFAOYSA-N 449.464 0.444 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 815827041 JSKMGHAVXCWEFW-IBGZPJMESA-N 436.578 0.475 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912922004 YPTSYFLSXDLLGY-HOTGVXAUSA-N 440.566 0.977 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCC(F)(F)F 916524818 OHCIRMGZNYTHEA-UHFFFAOYSA-N 438.428 0.533 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc(OC)cc(OC)c3)cc2S1(=O)=O 917519321 KRGPFHXLVYKINK-UHFFFAOYSA-N 433.442 0.943 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1OC 918228699 ZUSNMTZPVUXHOU-UHFFFAOYSA-N 427.421 0.832 50 20 ICGD COCCOc1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 919737919 JXDDIPYICBEFMF-GOSISDBHSA-N 430.413 0.856 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1116487596 HETMEOBWGOGOAP-LIRRHRJNSA-N 441.506 0.531 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1321909073 GOBFTZQWHVYFMF-UHFFFAOYSA-N 432.481 0.668 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1339818915 PYNWLPOHVTZHFX-OAHLLOKOSA-N 441.412 0.961 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H](F)Cl)C3)cc21 1778023122 QQWLXQXCMTWZKA-QWQRMKEZSA-N 427.864 0.288 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 1780628860 GMIBNAMPEZOTRD-NRFANRHFSA-N 428.681 0.777 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@](C)(Cl)CCl)C2)CC1 1780712921 YFTQBADNCMOOFQ-NSISKUIASA-N 449.423 0.984 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1783879771 AUQGKWHLSAHKFM-PXNSSMCTSA-N 433.896 0.965 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1783964695 ZCOGKXIRFAJYJP-QTVXIADOSA-N 430.343 0.523 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785020750 KFPOUNQEXGIQCK-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)on3)C[C@@H]21 1787508629 DEIUYAJADOKVJG-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD CC1(C)CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788609808 LDKJZRMJXDGPIZ-KKXDTOCCSA-N 429.521 0.715 50 20 ICGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922058 DIWUDPXCQIBOGJ-UKJIMTQDSA-N 433.278 0.713 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccc1O 1790071452 BVIGDOZEFPNVBA-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3O)[C@H]2C1 1790265330 QBIUWHTYQBVWBB-OWQGQXMQSA-N 434.493 0.064 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(F)ccn1)c1ccc(B(O)O)cc1 1794295753 BWYVRNLYJJMCMX-ACDBMABISA-N 425.269 0.785 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796027422 KXNACJMPTJAVEY-RNJOBUHISA-N 442.904 0.140 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796446322 SBJXQWRGUNYVRU-MLYANYNQSA-N 426.477 0.404 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797812170 YVULJRJHNDAENP-XUYBMCNPSA-N 432.315 0.890 50 20 ICGD C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798441804 LIFCRGRHQWEQGD-QDMKHBRRSA-N 429.477 0.446 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799279823 UQQRLUVRFUQBEL-DDFXLWFNSA-N 425.382 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3cn1)C2 1801013110 VPULDCSPFNPFBD-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1F 1801868699 FXRBFCZJEYNDSB-FAXLKDOZSA-N 448.900 0.032 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1nnc3ccccc31)C2 1802333069 LSLXGMOORYJKAW-MUJYYYPQSA-N 427.509 0.443 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806853677 XHHPZGYCXCAQAG-NEPJUHHUSA-N 429.315 0.599 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362901 MNCZWJMGHGVAFG-TZIWHRDSSA-N 430.273 0.790 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807665436 QEWFRBMLMYQUOC-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356678 KWYMKPYMJYMLNV-NGFNCXNUSA-N 449.363 0.207 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3C=CS[C@H]31)CC2)c1cccc(B(O)O)c1 1815359768 DGINNXSHQBKUET-BQGCOEIASA-N 441.343 0.924 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc2n(n1)CCNC2=O 1816622364 FMQOSSQKRSGQFE-OCCSQVGLSA-N 435.872 0.255 50 20 ICGD Cn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794795 DKZYZVXDMQKTOV-SNVBAGLBSA-N 440.489 0.415 50 20 ICGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1825322998 AQCWNOUDFYDIDT-NSHDSACASA-N 449.371 0.127 50 20 ICGD O=C(c1ccnnc1O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058254 VXUDYBINLIWLEG-IBGZPJMESA-N 438.293 0.409 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736368 SDPOMQIJKHLXRJ-RDTXWAMCSA-N 427.910 0.899 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1831830887 JQVCTSCNWPXVTR-SQGPQFPESA-N 431.961 0.511 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c1=O 1831881479 RRYCICUPOQWQBN-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1832406070 KMJGSERMOKSZHK-YLJYHZDGSA-N 431.961 0.163 50 20 ICGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1833313982 XXPDMUYLESFHMK-INIZCTEOSA-N 427.933 0.214 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833532172 GLBYHNMANHKUKW-IAGOWNOFSA-N 429.993 0.558 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903923 NEYMAXHWFSCYIJ-SCLBCKFNSA-N 430.889 0.064 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000151 YLIPNXKBJWHCQJ-KDOFPFPSSA-N 442.310 0.088 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837376402 YZOOVBXCJJHRAB-IFXJQAMLSA-N 432.949 0.415 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)s1 1837711799 QRSDPBZJTRXKJH-GOSISDBHSA-N 442.614 0.697 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837713063 FFFJIVSLTCXBDI-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838982880 COEIKLUWEGURCK-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839630872 WXCWTUZRMLWGFH-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1839961990 POZZWDCXWVULLK-MPGHIAIKSA-N 448.358 0.531 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1840030427 LTBXOWOKTFVTSM-VBQJREDUSA-N 429.315 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840156774 SXDJDVZIACHFKC-XLIONFOSSA-N 427.929 0.979 50 20 ICGD CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840309303 ICGLCAFOWYDDJG-JUIPMBGASA-N 447.492 0.127 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840852504 PEILYDJZSCCOCR-QAPCUYQASA-N 448.358 0.533 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)C1 1841640323 VVZUHPQIVPHVRH-UHFFFAOYSA-N 447.300 0.602 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cc2)C1 1843447422 IGNOZKMEMOFBFI-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)n1cnnn1 1846644434 XYRMHIUDBPRIBQ-OLZOCXBDSA-N 441.920 0.570 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 15639387 KYWMQUXFEZETLS-LBPRGKRZSA-N 449.938 0.320 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2ccccn2)nc2cc(S(N)(=O)=O)ccc21 17329151 XGBVBMOEULDLAD-UHFFFAOYSA-N 430.490 0.883 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 17411615 WURQCHZUIXDCGU-ZDUSSCGKSA-N 445.501 0.639 50 20 ICGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847436 FLGKAZKYFHDCKJ-UHFFFAOYSA-N 447.455 0.997 50 20 ICGD O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 731338890 JYTICMAFVRMJLO-LURJTMIESA-N 431.275 0.436 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1nc(-c3ccc(Cl)cc3)no1)c(=O)n2C 732976347 OVWXWVAXSHJNJH-UHFFFAOYSA-N 430.812 0.280 50 20 ICGD CN(C)N(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 735993736 MHYKKQDCAQOAPG-CYBMUJFWSA-N 435.955 0.986 50 20 ICGD CN(CC(=O)NNC(=O)NCCc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737819269 SRRFJCNBBDTKFI-UHFFFAOYSA-N 441.491 0.850 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 746195636 FLPWPKQBJYSWTQ-QGZVFWFLSA-N 448.453 0.375 50 20 ICGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 746328005 JCJIDXNIVVESPR-UHFFFAOYSA-N 441.554 0.823 50 20 ICGD C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748619563 KMQOCQBHLYGGBG-CYBMUJFWSA-N 439.567 0.375 50 20 ICGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 749340260 ODEYNEQTLNPAFZ-UHFFFAOYSA-N 430.428 0.890 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 751282146 JOWOEQQSWYYVOT-UHFFFAOYSA-N 431.423 0.090 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753964707 AYBVSGGABNQJRI-LBPRGKRZSA-N 428.486 0.880 50 20 ICGD CC1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 756163169 VJLYVOYMABQOBH-ZDUSSCGKSA-N 425.511 0.649 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2=O 756859997 ZTEWYKHBJFWLOQ-PDXVEVTKSA-N 430.461 0.721 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 758034636 HUGSULCWKZMHOZ-SNVBAGLBSA-N 425.492 0.023 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3ccc(C(=O)OC)cn3)cc2S1(=O)=O 759734807 ULGDSIZEPCOLEF-UHFFFAOYSA-N 434.430 0.416 50 20 ICGD CC(C)C(=O)NNC(=O)COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C(C)C 762936681 FTLLIMZDWYKGHO-UHFFFAOYSA-N 430.465 0.472 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)COCC(=O)NCc2cccnc2)n[nH]1 763153616 LZBQJGIRONYDLA-UHFFFAOYSA-N 438.444 0.574 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763540004 PDBACFWFIQOKBZ-UHFFFAOYSA-N 437.430 0.960 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cc(C(F)(F)F)cnc1O 763802726 GIGURUHDYDCELE-UHFFFAOYSA-N 443.294 0.879 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764191633 CXDURJOXBBQJKF-UHFFFAOYSA-N 430.486 0.846 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 764232136 RMCALZKHVNYODA-NSHDSACASA-N 437.503 0.256 50 20 ICGD COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425296 OLPIOSWTAVBXFH-SFHVURJKSA-N 440.412 0.860 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCn1c(=O)nc(O)c2ccccc21 767265748 HYVXOVFVPDWNEH-UHFFFAOYSA-N 438.440 0.734 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cccc21 769267477 SZBRIKYFVSUPIY-UHFFFAOYSA-N 448.439 0.887 50 20 ICGD Cn1ccnc(NNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1=O 771598336 BLYLWVJQXRNQIJ-QGZVFWFLSA-N 449.265 0.453 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 771964933 NZUQESLDYQQZCK-STQMWFEESA-N 430.483 0.181 50 20 ICGD O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 772809156 DSOFMVQBTSLLLY-LJQANCHMSA-N 428.464 0.855 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783997302 QNAIELXCVRMHPW-UHFFFAOYSA-N 437.884 0.529 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)n1 785226647 KIKSKYCURMSTMW-UHFFFAOYSA-N 428.497 0.945 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1OC 786694425 VUJXTMHINICXMS-UHFFFAOYSA-N 427.461 0.890 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1COCCN1CC(F)F 786948827 VTDOFMZXMXCVRX-LBPRGKRZSA-N 435.811 0.619 50 20 ICGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 794920287 IOHVHIYVUKHGNQ-UHFFFAOYSA-N 437.566 0.464 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 797701648 XZCNYHOTPPMZFF-LJQANCHMSA-N 448.457 0.811 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nnn(-c2ccc(C)cc2)c1C 814877369 NLTAHDIOVCTQRK-UHFFFAOYSA-N 449.475 0.172 50 20 ICGD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691878 DMSWDULDYHQYMX-CYBMUJFWSA-N 441.492 0.920 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)sc2c1CCC2 815692029 HTOMOPPHJKLFGA-SNVBAGLBSA-N 446.489 0.354 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccccc1 825441663 UBABWRYVHOTYRU-UHFFFAOYSA-N 441.412 0.638 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)cc(OC)c1OC 913415349 VCARZHCEEYVIMT-UHFFFAOYSA-N 441.437 0.591 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1 915475543 IVDJMYTWKCAHDE-UHFFFAOYSA-N 449.485 0.226 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 919819949 APIKLMYUQFTAMZ-UHFFFAOYSA-N 448.501 0.065 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 1321037413 MCAZSBAFEKAZRE-ZIAGYGMSSA-N 430.465 0.994 50 20 ICGD O=C(c1cn2ncccc2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777953303 NFKLMOSKFMKJSP-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 1779371196 PRVJGTIEBGZJDN-DYESRHJHSA-N 427.461 0.719 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3Cl)C2)C1 1781679871 HZEKFIIRSXIMDL-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccoc3c1)CCO2 1783934406 FQORAFWYTDTNNB-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21)[C@H](O)CCl 1784092321 HIQDCWOOQIKXHE-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784097169 RBVOVTCWVHONSD-GVRJEKJASA-N 447.960 0.727 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784103983 NAMMHOLJXAYQOE-URXFXBBRSA-N 434.301 0.540 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785401089 BFHVIIYCMOCNAC-FHWLQOOXSA-N 431.537 0.285 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccc1 1786984029 ZQFRSMLVYWIQKK-UHMOLFJZSA-N 425.294 0.022 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cc4c3CCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786984758 GCTKEWGSYXDPAC-VDGAXYAQSA-N 437.305 0.090 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C[C@@H]21 1787506897 UFLZXLFRWOJIJX-JCXARJCSSA-N 441.492 0.445 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1ccccc1C(=O)OCCO 1789250179 NWTGVBRXEBGMCT-OSMBCOQSSA-N 442.871 0.963 50 20 ICGD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924900 GUMYFVVETFKDSO-VLJOUNFMSA-N 427.336 0.771 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21 1791288545 CGERHYGHIDMFFP-BZSNNMDCSA-N 430.505 0.222 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC1(F)F 1793484845 KTAIEPSOKVSXDX-BASYENTBSA-N 430.496 0.775 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797902494 YQJFAXJHGZVACH-RMEBNNNOSA-N 428.331 0.677 50 20 ICGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc(Cl)n1 1798978082 ZKADGNICZPTYPF-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1800602898 HIWGAKRGAUKGAX-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2 1801011109 BYKLVZGRWDBPER-HBCWATKFSA-N 428.493 0.139 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803139243 VLWVLTUXWWPGHO-GGPKGHCWSA-N 437.972 0.325 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369966 ZOFMEDQYYRHEBX-HKUYNNGSSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncn1 1808511339 QIPBZEUCQHSZIB-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1810302869 NAKRYEBOWPLHQS-ATZDWAIDSA-N 438.488 0.579 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817359038 MBABOVGPHOJEPC-JQEORGNBSA-N 433.282 0.685 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1820160653 VNWDMXHVWGUFIZ-SNVBAGLBSA-N 439.570 0.458 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824489037 LYFPOPORUNKMPX-UWJYYQICSA-N 426.322 0.638 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825717833 ATDGKRQKJNOXOB-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(F)c[nH]3)sc2C1)c1cccc(B(O)O)c1 1825731866 AAUIACMEWCQMNL-CYBMUJFWSA-N 428.254 0.830 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1829859758 JVAGRSMMSWIOAS-ZENOOKHLSA-N 438.294 0.048 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1830455935 AWWNRXHDVOSKAC-RXVVDRJESA-N 435.908 0.547 50 20 ICGD O=C(COc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832680340 WHTPTXHANSWEGX-WBVHZDCISA-N 446.273 0.607 50 20 ICGD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1C 1833312522 QALWYMNYMISDSP-GOSISDBHSA-N 425.961 0.767 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834062 IRFQEJYXDQMSKH-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1834823113 JKTKAPYMBSPKIZ-KRWDZBQOSA-N 431.283 0.627 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717643 ZRPDOCCOFNUZAR-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cn1 1839155179 MJTVQIMVJTWVPC-ROUUACIJSA-N 433.336 0.655 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198956 PJZIIWJPFFOKSO-GOEBONIOSA-N 433.278 0.489 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199727 ZYHGGDJYZFGDQK-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1840153574 UKMNVYJYRKLCLF-HLPXUMPJSA-N 427.885 0.706 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@H]2CNc3ccccc3O2)C1 1844219532 SQWBSHMCTVPANY-SFHVURJKSA-N 435.289 0.447 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 14803301 PSORHIQLKBOGNE-UHFFFAOYSA-N 429.389 0.444 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 15639381 GRYIPFMVTLYGFQ-AWEZNQCLSA-N 429.520 0.057 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1c(Cl)cccc1Cl 727804783 QGKAQOWHCAFZSM-VHSXEESVSA-N 434.301 0.790 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1c(Cl)cccc1Cl 727804784 QGKAQOWHCAFZSM-ZJUUUORDSA-N 434.301 0.790 50 20 ICGD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c12 729275779 RNAFWFIBRUARAT-GFCCVEGCSA-N 430.490 0.642 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCCCCC1 730091774 VJBGVJSISKZCBD-UHFFFAOYSA-N 435.506 0.987 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@@H](C)O1 732262623 UZSTZRVSSDBAAN-CHWSQXEVSA-N 430.527 0.617 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccc(Cl)cc1 742029628 ORNWCCUBPWXZFD-VIFPVBQESA-N 435.915 0.081 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744351086 JTWTVXFOZORECA-BBVCAZISSA-N 431.445 0.162 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)CC2=O)cc1 744667291 QOVBRTZBAWVBAV-INIZCTEOSA-N 436.424 0.924 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(S)nc3ccccc3c2=O)c1 746683267 WWYVLNXOSVAFPR-UHFFFAOYSA-N 432.483 0.550 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 751894265 MWPSYCVKEWVDOL-UHFFFAOYSA-N 432.506 0.418 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 753521940 XOAHLNOAVJOCEU-UHFFFAOYSA-N 434.430 0.328 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@H](C)O)cc1 754554119 UUYTTYDFLJSLTQ-SCLBCKFNSA-N 430.486 0.965 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3ccccn3)cc2)CC1 756358572 KBLMQCNMVIXZEK-UHFFFAOYSA-N 425.493 0.758 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c2ccccc2c1=O 756623543 BKAWOJGOXDZRFN-UHFFFAOYSA-N 444.473 0.449 50 20 ICGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760132027 NWKALCINBOCFND-HOTGVXAUSA-N 428.511 0.140 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3ccncc3)ccc21 761137919 JMVCTJRJBXZENP-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)c2ccccc2c1=O 763789817 FDPFKYCVFNXQJX-UHFFFAOYSA-N 449.402 0.658 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1C(N)=O 763961187 CTGGQIHMIGMMJK-UHFFFAOYSA-N 431.474 0.919 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c1 763981242 YMWFBIQTGOGCRN-UHFFFAOYSA-N 437.478 0.454 50 20 ICGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 763999362 WHPCELQERZOUEV-CYBMUJFWSA-N 425.463 0.164 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1c(F)cc(Br)cc1F 764002875 UYTQTXMSOSXSLP-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 764003631 KDCSYWSNSZKZAN-UHFFFAOYSA-N 425.405 0.606 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764003709 LIVKKLDVKUVVFS-UHFFFAOYSA-N 426.429 0.868 50 20 ICGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764265632 CKIBXNYZIZWANW-UHFFFAOYSA-N 440.460 0.656 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764266999 PXNKKXWSXQSTFK-UHFFFAOYSA-N 433.490 0.487 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 764267035 RHSHOVNPXWIXTB-UHFFFAOYSA-N 439.476 0.308 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br 764276946 KBVNCPFKNJLCMS-UHFFFAOYSA-N 425.218 0.844 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 764435858 XZQBLJYXYMBBLR-CQSZACIVSA-N 431.474 0.207 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccc(C(N)=O)cc3)CC2)cc1 764818995 NUCDFWLCPNLEIV-UHFFFAOYSA-N 443.529 0.551 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1OC 771950520 DEMBFZLTWRRVJC-UHFFFAOYSA-N 442.519 0.996 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)n(C)c1 773087050 IJNUWZXERRBPFP-UHFFFAOYSA-N 436.494 0.484 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(C#N)c3)cn2)CC1 773689324 TWNIVUXRVURQTA-UHFFFAOYSA-N 443.489 0.117 50 20 ICGD Cc1cccn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cnc12 773694572 JSFCFBVNYBMIHA-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD CC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 775669604 BQGBDKLPBSVYBN-VIFPVBQESA-N 439.309 0.396 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2cnn(C)c2)c1 780155248 YZVXLBKHBKIVKH-UHFFFAOYSA-N 445.505 0.916 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)cc1 780927451 SVIPCKBUQDUPTE-UHFFFAOYSA-N 436.520 0.697 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CCS(=O)(=O)C1 783427249 NRWYYJBJXHGWCB-AWEZNQCLSA-N 442.391 0.497 50 20 ICGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 783698637 LAEMDIMNDPJSSG-UHFFFAOYSA-N 442.497 0.969 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCCS1(=O)=O 802068543 KTGRDJFPZQDSSH-AWEZNQCLSA-N 432.524 0.303 50 20 ICGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 804953327 LWWQDALRAUTIMW-INIZCTEOSA-N 432.485 0.771 50 20 ICGD CCOC1CC(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 805155976 CAGPVJPSCNFRMQ-UHFFFAOYSA-N 439.534 0.603 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 807372125 YWRCRMGIDXOVLB-CQSZACIVSA-N 445.542 0.364 50 20 ICGD COc1ccc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1Br 807971064 HDXZUUMZHFSGHS-UHFFFAOYSA-N 438.282 0.685 50 20 ICGD O=C(NNC(=O)c1cn(C2CCOCC2)nn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 809983179 FCSLISJUQCDQCL-UHFFFAOYSA-N 448.505 0.489 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)cc1 813034032 VZVXRQAFGJFDRH-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ncncc3F)CC2)o1 817080086 TYIGCANOMASLES-UHFFFAOYSA-N 441.441 0.929 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 897761115 FSSWULGERQPFPJ-SFHVURJKSA-N 436.476 0.947 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(C)(C)N2CCN(C)CC2)nc1 916259222 XLQOHTADHLDBPQ-UHFFFAOYSA-N 427.575 0.420 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCNC(=O)c2cccs2)c2ccccc2c1=O 916568751 RHASYGJGAFJQKX-UHFFFAOYSA-N 428.474 0.852 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)c1ccc(-n2cnnn2)cc1 918204573 KPDONXUHIVIUNX-UHFFFAOYSA-N 440.485 0.776 50 20 ICGD N#Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)cc1 1320612631 QOJUFKGSJHYWNB-CQSZACIVSA-N 440.485 0.665 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1777980401 JBJBBPBLDGXMAX-IPJQOSJUSA-N 433.347 0.731 50 20 ICGD O=C(c1cnn2ccncc12)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777988314 KATLZXRJLNLMEM-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783499463 LRYRHEZAKOHKTN-AJAKECSLSA-N 447.919 0.980 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784096292 CBKCWYRVVWTBAI-AJNGGQMLSA-N 445.944 0.623 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1784615610 UMQIOPZWZMKKKP-CWVYHPPDSA-N 437.990 0.701 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764598 VKXVHCKNPLIETA-XLPNERPQSA-N 430.574 0.433 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc(C)n1 1791291400 UAOOSPKFROZUNJ-VDGAXYAQSA-N 445.564 0.919 50 20 ICGD O=C(CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)Nc1ccccc1 1792975177 MBDZRFOIUWVKLH-DOHHPOSVSA-N 437.924 0.985 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1Cl)C2)[C@@H](O)CCl 1792978123 DMRCRJOONYFMNM-FJHTZYQYSA-N 427.288 0.971 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792980961 BTDUOCBAUKFCQR-LXTVHRRPSA-N 445.944 0.433 50 20 ICGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1793724935 IHVKXJXFNUHBIC-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn1 1795324156 GJYOWPVTSUTZOJ-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1796306286 XGNXDWAMRDADGM-YVPHMZQXSA-N 435.319 0.293 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1 1796766989 WJIKQBIGHVONDQ-NYUBLWNDSA-N 448.527 0.651 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2[nH]1 1797459255 CDWFPSJHSBHHJT-ZSBFGKGUSA-N 449.471 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2 1797751565 HPZYKMCVOSLFNK-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)no1 1797826856 WQKCPBHHZSVPSS-DRXBFXEBSA-N 443.298 0.087 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1ccc(-n2c(O)nnc2O)cc1 1798599992 YAOPXUQUUOHYRC-XCCSTKFXSA-N 439.831 0.416 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nn[nH]c1C(F)(F)F 1798711984 HSAYFLZLHSYBQD-JTGULSINSA-N 444.183 0.717 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799279826 UQQRLUVRFUQBEL-DZJQYVJYSA-N 425.382 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799642673 LFOCBZBBXLBKFO-RMFSNUHRSA-N 427.505 0.329 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800334071 GICRRRRDOVRMCU-YACYFGNPSA-N 429.379 0.549 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1800976731 FUAAQRIXRDPLQA-HZMTTXTESA-N 437.880 0.565 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804347939 KBNLUAAIECBFKF-MDZLAQPJSA-N 428.276 0.489 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700895 PXLOKIHGGPLWHP-INIZCTEOSA-N 434.002 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(N)s2)[C@H]1c1cccnc1 1807278130 UHYWKGXCVZRQEU-RDTXWAMCSA-N 445.549 0.813 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810432586 GQBLIZULOCFNGT-PBEJRMEISA-N 439.321 0.895 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816802042 PPQZMYXODJGGPN-OAHLLOKOSA-N 443.464 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1 1819401915 FZINMUZLOOFFTM-INIZCTEOSA-N 435.448 0.818 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)CC1 1824186621 PEXBWYMBQNLVMT-MOPGFXCFSA-N 442.988 0.370 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055958 PJYIMIVTLHRVJM-LAUBAEHRSA-N 426.322 0.638 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(O)[nH]2)CC1 1828924169 KGTXIBVHLZYOSP-QGZVFWFLSA-N 441.492 0.661 50 20 ICGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829052608 PJPABEMSTIIADE-VQIMIIECSA-N 426.876 0.932 50 20 ICGD Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc2n1 1830735614 JEAXSGWBHVFFGT-FXAWDEMLSA-N 436.896 0.243 50 20 ICGD O=C(CN1CCSCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833060936 CEDIILMFLYPSLP-QGZVFWFLSA-N 433.018 0.207 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834424399 ZIJNTZHFQBSWAI-INIZCTEOSA-N 443.386 0.964 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CNC(C)(C)C)CC2)CC1 1834700125 VBCBADAEKCICBA-UHFFFAOYSA-N 438.617 0.319 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834821411 ISMZWBSVPLCSHH-QGZVFWFLSA-N 444.330 0.714 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858986 LIGQLCUFIPPJBC-MEDUHNTESA-N 431.287 0.359 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836827437 BOKUNRSSPKZSCX-OXQOHEQNSA-N 434.880 0.300 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837180211 UEVXSZRKZNFCLR-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839155448 UJKKUPFKYXEFMM-HOTGVXAUSA-N 443.349 0.497 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199298 MEUSLHXUGIEWLR-NHYWBVRUSA-N 435.250 0.326 50 20 ICGD C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)Oc1ccccc1 1839744775 DVTGVUDYCHQKOY-BLIXFSHQSA-N 440.924 0.900 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839962460 FRIZNQWMEJUVFH-QWQRMKEZSA-N 448.358 0.531 50 20 ICGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1)N(CC)CC 1840150305 IBQHHLXRWSMCED-MBOZVWFJSA-N 433.977 0.817 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190009 XNHLKXUAPHZKLE-KRWDZBQOSA-N 440.324 0.771 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840382607 OBWBJQUOHRHYQY-SFHVURJKSA-N 443.342 0.905 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn(-c3cccnc3)c2)C1 1842267476 JPDQRBPJLPYDQX-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COc1cccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c12 1843012157 KBSYNLYWBWWGHW-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1843416414 GYUQVZPPUKBMDC-WSDLNYQXSA-N 427.421 0.874 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845576787 CWBFNCZLGVYHTG-UHFFFAOYSA-N 449.232 0.282 50 20 ICGD COc1cccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c12 1845649138 MLAFCCWWMXMWSF-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847036815 GYZFZDBEMLOIFK-VMPITWQZSA-N 432.477 0.393 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9930665 HQIBQLHTFGPCRC-NSHDSACASA-N 432.296 0.151 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C 104740867 JPHFTYUAHARCSF-UHFFFAOYSA-N 443.489 0.409 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)c2ccccc2c1=O 730104900 ZJBKUWISYZWQMX-UHFFFAOYSA-N 449.471 0.612 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735191996 XTJRNSFPEDFCFP-UHFFFAOYSA-N 427.464 0.508 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NNC(=O)Cc1nc(C)cs1)CC2 741805742 UMQXONJMXXDVRS-UHFFFAOYSA-N 437.547 0.502 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742239711 BOOXZTFXEIDWSZ-OWDSOGOHSA-N 429.473 0.769 50 20 ICGD O=C1C[C@H](Cc2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)C(=O)N1 743293347 VYWBTXCZVCXSBC-HNNXBMFYSA-N 433.424 0.858 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744353461 UYJUIRPLGVWZMC-LTHPUJSUSA-N 445.472 0.551 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1sc(-c2cccnc2)nc1C 747612054 SMWGMAJYZVEEFT-UHFFFAOYSA-N 445.530 0.938 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCN(S(C)(=O)=O)CC2)c1 747624622 OWVXSZKJTNHDPJ-UHFFFAOYSA-N 430.552 0.858 50 20 ICGD Cc1ccccc1CC(=O)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 749919167 ZWCSMYQEQKZHRV-UHFFFAOYSA-N 448.487 0.712 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F)OCO2 753841267 QOHANVXVPIHBMB-UHFFFAOYSA-N 433.348 0.506 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755056780 RRMWQJKSOJRZRF-GFCCVEGCSA-N 432.437 0.672 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1ccncn1 755321552 XMLSGYHZHKKLMP-UHFFFAOYSA-N 447.517 0.210 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CC1 755575729 ZTGGSWZZVNNNBP-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)NC)cc2)c2ccccc2c1=O 756639648 BFFDLRVJPUYNKW-UHFFFAOYSA-N 444.473 0.791 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)C(=O)Nc3ccccn3)cc2F)CC1 758751892 MMOSAFCKCMEIAH-UHFFFAOYSA-N 443.483 0.832 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 762351380 WBBZJQVTQJXBEL-UHFFFAOYSA-N 431.474 0.138 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 763570860 JJYAFGQMDMJROC-HNNXBMFYSA-N 445.432 0.107 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)c2)C1=O 764242529 FQRBBPRPKDPQJF-UHFFFAOYSA-N 448.439 0.826 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nn1-c1ccccc1 764259912 LFHRWGFAQBFFGZ-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD O=C(NCc1ccc(F)cn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764379732 VXQLQFMDRYXSEN-UHFFFAOYSA-N 437.453 0.386 50 20 ICGD Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c2n1 766636088 JDBAMUZCJHBTCZ-UHFFFAOYSA-N 449.515 0.874 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cc(C)[nH]n1 768276663 LEZGQHALZZWFAV-AWEZNQCLSA-N 425.536 0.888 50 20 ICGD CSCC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)c2ccccc2C1=O 770973595 FHRFVHFGNBROJV-CYBMUJFWSA-N 441.473 0.930 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 775521239 DYCFJKHJMJEXIK-UHFFFAOYSA-N 439.816 0.177 50 20 ICGD CN(C)c1nccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 776067977 FNGMHVJGZJQOLJ-UHFFFAOYSA-N 447.521 0.471 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 777410715 DGGOMUNUSKOJCC-JTQLQIEISA-N 449.327 0.438 50 20 ICGD CC(=O)N(CCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)CBr)CC1 777779188 GHCJZQZUJXIMOE-UHFFFAOYSA-N 446.367 0.904 50 20 ICGD CN(C)CCc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 782701965 NAICWGGFELDCFZ-UHFFFAOYSA-N 429.433 0.864 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNc3nccn(C)c3=O)c2)c1C 785085749 FIPSBVHMMVUEPN-UHFFFAOYSA-N 439.432 0.533 50 20 ICGD CNC(=O)Cn1cc(NC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 785862516 XNTOGDNSXKSBBX-UHFFFAOYSA-N 438.489 0.270 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 786082065 LUSXTJYBJWNAGQ-MRXNPFEDSA-N 443.847 0.412 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 786414113 JXMYGQPKVBKOQR-UHFFFAOYSA-N 426.389 0.652 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 789731075 AQTFVGZGULXZNJ-UHFFFAOYSA-N 434.412 0.497 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])c1 791147676 GOYHCQXLYQLEQR-UHFFFAOYSA-N 439.425 0.975 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 792011072 GBSDMVDNQQDRNV-KRWDZBQOSA-N 427.335 0.808 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2)NC(=O)NC1=O 794074878 CZPQDRVCNDMAAN-OAQYLSRUSA-N 439.428 0.429 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccc(C)n1 797370263 XOOCWANMJHKFHV-UHFFFAOYSA-N 449.489 0.439 50 20 ICGD C[S@](=O)c1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 797791307 DDYQXJFHGQKGDX-SANMLTNESA-N 429.907 0.729 50 20 ICGD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 799262315 SCKZQTNPJGIQSX-UHFFFAOYSA-N 435.418 0.571 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CCS(=O)(=O)C1 807242001 OILFTIIJNUXRAH-WOJBJXKFSA-N 449.533 0.793 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc21 813033373 QJTINDPOJVAIFR-UHFFFAOYSA-N 447.473 0.374 50 20 ICGD Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052968 XXTYUVHQEXZJSS-UHFFFAOYSA-N 443.489 0.884 50 20 ICGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 912920136 VVMPPOXUXFDPOR-KKUMJFAQSA-N 426.539 0.778 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)nc1 916258181 MRHRYQPGEQCQQU-QGZVFWFLSA-N 441.602 0.666 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOCC(F)(F)F)nc2)CC1 916326775 PNJCJTFNWFRYGC-UHFFFAOYSA-N 440.448 0.223 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888445 CUSNFDCXJWHQKV-HUUCEWRRSA-N 443.501 0.311 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 920245848 UMDOSKSLOUDDQK-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc([N+](=O)[O-])c1 920704393 QNPRAFUQRAJXIW-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920860440 DVBAFYHOHYFQSW-ZDUSSCGKSA-N 443.482 0.362 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ncoc1[C@@H]1CCCO1 1319220315 QHXOQNXDJAMGGC-INIZCTEOSA-N 427.461 0.745 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1341797599 WKAXTZDHEFLJCS-UGSOOPFHSA-N 427.479 0.141 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1777984247 VSNWDZPMNFSANX-MEQWQQMJSA-N 437.310 0.638 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)c(F)c3)CCO2)C1 1779032648 PVAWWDNXLQGIFJ-NRFANRHFSA-N 445.426 0.721 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779299740 COBSASQOLDYJJE-QGZVFWFLSA-N 445.639 0.528 50 20 ICGD CCc1cnc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1779303012 LUXQZYWGXBLCLX-HXUWFJFHSA-N 429.307 0.143 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780543291 HSANICSLYCXYLR-QHCPKHFHSA-N 438.289 0.522 50 20 ICGD O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1782565996 JBNRNIFTNYPOPE-XNRPHZJLSA-N 432.294 0.873 50 20 ICGD COc1cccc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)c1 1783417421 SNQWCXBNJGEBQX-WCYCAPIHSA-N 444.532 0.911 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1785370726 NMFFLLLXAVNJMT-BEFAXECRSA-N 431.917 0.285 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)nc4ncccn34)[C@H]2C1 1787982849 SJVDKZIJAYYJBF-JONQDZQNSA-N 435.912 0.885 50 20 ICGD CC(C)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)C 1791289242 PHNPEKLCWCURQI-NTLWEQJWSA-N 439.601 0.362 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21 1791291431 VEVIRXHBXIPTNW-SZMVWBNQSA-N 442.520 0.301 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1Cc2ccccc2C1 1792316651 VCKGEPUGLVTHMG-VJBMBRPKSA-N 448.328 0.375 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975244 NXCBSXCRWNUBBK-LORHWOILSA-N 438.908 0.595 50 20 ICGD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793071693 AOLRJYSQHLIDHW-QRJUGERDSA-N 447.960 0.725 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CBr)C2 1793530342 SWUYOBFBGDYFGQ-XGFWRYKXSA-N 438.388 0.983 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796190420 WHJRKVIJWKXTIC-ZRSLWSEBSA-N 442.321 0.598 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)[C@@H](F)Cl 1796361668 MNHYEYIFLBSLSE-MLNQONBDSA-N 428.848 0.117 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ncccc2n1 1797570847 DOISCUPBPCGFBJ-BTTYYORXSA-N 434.460 0.293 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2cn[nH]c2cn1 1797580469 GUJHUTNCSVHVGC-RDBQEKCUSA-N 426.246 0.852 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800806712 WADTUQKSPBWWIB-DXUDUQDWSA-N 449.907 0.481 50 20 ICGD CC(C)(CCl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1802902265 KELZGPURMPRYKY-IEBWSBKVSA-N 440.972 0.639 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803143143 VHHWPAVINIWAGS-PVAVHDDUSA-N 431.880 0.721 50 20 ICGD N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804127819 JLMHCGZCXFBSKX-ACDBMABISA-N 433.273 0.569 50 20 ICGD N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804128014 RIMAXPUPKXMKML-ACDBMABISA-N 433.273 0.569 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1808661385 KOMFEWYSZJKOFD-KWCYVHTRSA-N 436.303 0.823 50 20 ICGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815339351 ADEHAMCCRKQROE-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD Cc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1816409823 FHNRXOYSXUXWFW-SFHVURJKSA-N 434.265 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817107649 SEHQESZVJXIGQH-YUMQZZPRSA-N 427.870 0.824 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)CN)CC2 1817279958 MRJBKJRYQCJTRG-SAWOXTEMSA-N 431.522 0.784 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cncn1 1817474895 IEMAKUVPWUNWQE-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(O)nc1O)CC2 1825998221 GYAKFDYOWPDEGQ-APPZFPTMSA-N 427.870 0.824 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829817574 XLCAOZMGRCYUCO-FQEVSTJZSA-N 441.293 0.394 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362485 XJOSRQWGHBRSET-KUHUBIRLSA-N 432.949 0.415 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1830537884 RPGGQPIYBGDHFR-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1 1834066867 YSYSMMRBAJRVSH-UHFFFAOYSA-N 445.568 0.343 50 20 ICGD CCO/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799153 PFXJAXOEZCEHMC-LFIBNONCSA-N 429.326 0.102 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821424 JCTURGLNAGLDJC-KRWDZBQOSA-N 446.298 0.676 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1)[C@H](F)Cl 1835083894 YFRKDTRXTUHPDD-ZDUSSCGKSA-N 430.830 0.771 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835696860 ZTOFPBGASWHYTE-RIFZZMRRSA-N 440.928 0.592 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836397381 YUWNYPAUZMTIMT-MSOLQXFVSA-N 430.977 0.727 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718607 WFJSKVXWAPXVGN-GOSISDBHSA-N 425.913 0.597 50 20 ICGD O=C(CC(F)(F)F)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837788102 BNLAULLDYSYBNF-UHFFFAOYSA-N 442.243 0.931 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CN)CC2)CC1 1837829224 GBLWJXAVOWPAQP-BDKXHVGHSA-N 446.552 0.714 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837958330 QGCLWSLPYGRFMP-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838170964 YXAPQAUNQNQZQH-BEFAXECRSA-N 427.885 0.068 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838832309 VLZOCPJOBJNZBO-LIRRHRJNSA-N 428.917 0.906 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203188 CKCNMVPJNXAMAU-NVXWUHKLSA-N 446.273 0.477 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1O 1839425694 ZSBRHVSRSOCOON-MGPUTAFESA-N 442.896 0.461 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839686931 ZSHIPOWAVICLDI-MEDUHNTESA-N 427.281 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840152572 MKXHIRHVMMXGDY-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843013005 YOBRLXBPPKDXLH-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)[S@](=O)c1ccccc1 1845775830 OGEAUQNOXFULAJ-MKTHODDLSA-N 440.330 0.380 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN1CCc3sccc3C1)C2 1846384096 CHHFWENTQDVFNX-UHFFFAOYSA-N 433.578 0.683 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846420876 DXQNKRLOESUKRV-KGLIPLIRSA-N 442.944 0.848 50 20 ICGD O=C(CN1CCc2sccc2C1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848106969 GKMRMEJDQUMAGU-OALUTQOASA-N 439.346 0.302 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)s1 10159897 SCPSPIJZMKIKGQ-UHFFFAOYSA-N 449.514 0.806 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 726076755 BGENNHNTBZVCMH-UHFFFAOYSA-N 430.552 0.432 50 20 ICGD C[C@@H]1NC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)=NN(c2ccccc2)C1=O 726862850 FPJXCCNIQOUSIV-ZDUSSCGKSA-N 442.501 0.909 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c(OC)c1 728179055 NZEJPRHZBSQQOG-KBPBESRZSA-N 425.507 0.549 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1O 728854579 YYLZWQAZFWHTKJ-UHFFFAOYSA-N 435.462 0.195 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2ccccc2F)cc1 731371584 HKKYIQYBVHIJLY-UHFFFAOYSA-N 436.465 0.843 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCCN1C(=O)c2ccccc2C1=O 732245062 OBLZHPCUESPFPA-UHFFFAOYSA-N 443.485 0.885 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734684850 AKGOEAWQCRHEAM-OAHLLOKOSA-N 425.917 0.699 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)c1 735517900 GVIMINMYFXGSEQ-UHFFFAOYSA-N 449.533 0.822 50 20 ICGD CS(=O)(=O)c1cc(N)cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 747727970 OWBALFJZXVHHHW-UHFFFAOYSA-N 425.850 0.944 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 748594493 VAKGOIIHXHHLFV-UHFFFAOYSA-N 436.556 0.162 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3ccc(C#N)cc3)cn2)CC1 756547421 CQBYBXJVFCTBIU-UHFFFAOYSA-N 443.489 0.501 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 758031487 WGEOOWZXLOLXKA-FUDCBSFHSA-N 432.543 0.640 50 20 ICGD N#CC1=CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 760003505 KOCLDNNKCOVCNE-UHFFFAOYSA-N 446.529 0.840 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1N1CCOC1=O 763683130 TUYRIQRVYOEGSB-UHFFFAOYSA-N 446.391 0.956 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 763813682 NOCOUMHFFUBRHH-UHFFFAOYSA-N 449.423 0.372 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764168845 RJJJFVNHIMFGPD-SFHVURJKSA-N 428.420 0.752 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 764295258 LOFBRGHBUQXSQJ-CHWSQXEVSA-N 426.495 0.086 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 764298086 MEABMWDOVJAADG-UHFFFAOYSA-N 440.457 0.334 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OC[C@@H]3CCCO3)cc2)n(C)c1=O 764818294 RBTDQXNAEYKXAD-INIZCTEOSA-N 440.460 0.142 50 20 ICGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765119284 NFPGMYHEEWAALT-UHFFFAOYSA-N 426.930 0.499 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc4n(c3=O)CCS4)CC2)cc1 765749962 WVGWAFDOVATVRV-UHFFFAOYSA-N 442.545 0.236 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1csc(NC2CC2)n1 769303316 VLHQLCJFZGRRJR-UHFFFAOYSA-N 428.518 0.936 50 20 ICGD COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NNC(=O)c2cnccn2)c1 769859637 PFBOKLLOULFSMK-UHFFFAOYSA-N 433.215 0.788 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c2ccccc2c1=O 770433738 DCCLCUXPURSSTN-PBHICJAKSA-N 430.509 0.860 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 784002246 MQPRCMFUHVFFSD-CQSZACIVSA-N 444.444 0.743 50 20 ICGD O=C(NNc1cc(Cl)ccn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784861528 LXVRBGGJDXWFHI-INIZCTEOSA-N 445.863 0.831 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785059892 CWJCHULCKSVATL-UHFFFAOYSA-N 431.355 0.728 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@H](C)n2ncnc2N1C 791469443 UGEQNGBLZMJVRR-SWLSCSKDSA-N 442.432 0.094 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cnccn2)cc(N2CCN(C(C)C)CC2)c1 792267807 CYMRMNLJOPWDBR-UHFFFAOYSA-N 425.493 0.715 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnccc3C#N)CC2)cc1 805191748 QEEGIIUVYWDGFG-UHFFFAOYSA-N 442.501 0.029 50 20 ICGD CN(C)CCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 807950308 RHNBCQYNFVDFOI-UHFFFAOYSA-N 443.529 0.979 50 20 ICGD O=C(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1cccc(Cl)c1 808767412 QTHKASPQXLHHFI-CYBMUJFWSA-N 428.942 0.895 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)c1 811881990 GRWKTEFKNXPACT-SFHVURJKSA-N 440.547 0.544 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)ccc1F 812731747 SKXWIGUOAOSSLS-UHFFFAOYSA-N 430.483 0.741 50 20 ICGD O=C(NN=Cc1cnn(CC(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 814211998 AJBJIUTYFMJGTD-UHFFFAOYSA-N 427.433 0.933 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nc(C)oc3C)CC2)cc1 814317194 OHGIQQSFCXTJSJ-UHFFFAOYSA-N 435.506 0.367 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccnc1-n1cccn1 815751733 MIKDLOXIQMOQCI-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2cc(C(=O)OC)ccc2Br)C1=O 818750050 BZZNNXLAZWOTJI-UHFFFAOYSA-N 439.222 0.656 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c2ccccc2c1=O 879516500 RRCRLPMMLGMARJ-UHFFFAOYSA-N 449.427 0.229 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 906449758 SESJCMOODQJMQT-UHFFFAOYSA-N 440.503 0.160 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 913430491 HCOADLZCAKKMQZ-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNc2ccc(C)cc2)cc1 913431297 CRORVKTYQUFJDW-UHFFFAOYSA-N 447.517 0.881 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)c2cccs2)c(=O)c2ccc(C(F)(F)F)nc21 915795160 YPGKVNPWXTXLHD-UHFFFAOYSA-N 427.364 0.637 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc(Cl)nc2)c1 918597326 UPNHFNSAMBKAJJ-UHFFFAOYSA-N 439.881 0.294 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 919694366 YYSLNECXUKTQIY-MWLCHTKSSA-N 434.301 0.928 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)O1 1778803711 MNOHOMFTBPGLGY-CIVUBGFFSA-N 430.310 0.061 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1779125570 CKYQEPFHCYQPRW-SJKOYZFVSA-N 443.298 0.326 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780098754 UPIHKXNXDHELHF-FQEVSTJZSA-N 445.384 0.052 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cscn1)C2 1782172539 GKLAIDNSKFKMIG-YIOZNXECSA-N 444.985 0.781 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783355605 WEIISEMZYVIVEZ-SJCJKPOMSA-N 443.298 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1783883400 HNRYWUJYPRBHCL-UTKZUKDTSA-N 437.924 0.890 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1OC 1784093249 SSSARRUNDOMFKK-XSWJXKHESA-N 426.897 0.897 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1)c1cc2n(n1)CCNC2=O 1786130059 UVWAQTLMAXMKOU-MRXNPFEDSA-N 431.880 0.974 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3)[C@H]2C1 1787571458 WTLFGJFQPLFTKH-NLYOHKEFSA-N 428.449 0.402 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ncn(-c2ccccc2)n1 1787583354 OEUUUBIXAZWMGB-HJWJTTGWSA-N 433.896 0.460 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1C 1787675241 BQNJCOREPWVOIK-JVPBZIDWSA-N 440.504 0.239 50 20 ICGD CCc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789404777 VXQLJHSNJYHWLC-ZVZYQTTQSA-N 443.334 0.292 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21)[C@@H](F)Br 1789923232 ZWDFCAZDHNKGLN-FTYOSLGDSA-N 431.205 0.767 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n4ccnc4n3)[C@H]2C1 1790410458 XULIEIZKFCOSJQ-JKQORVJESA-N 435.912 0.885 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1791254927 XBQUXNPXQHZOMO-SLZITWOASA-N 430.958 0.246 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1792872569 OOIXBDKHACKOAY-JFILPPLUSA-N 436.310 0.964 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792889434 RMAURSSGJAHQAR-CNYPHPDHSA-N 445.944 0.479 50 20 ICGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793714453 GXCUBCFGAXLGLP-OXUXUCFPSA-N 440.273 0.711 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112473 GAWHIQDOGKQROL-WJNVRWDZSA-N 431.356 0.388 50 20 ICGD COc1nn(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890057 WTVQFPATYWTETH-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1798099663 JQOLKNXPRUZWRV-VVJJBPBLSA-N 431.218 0.069 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1798487479 BGHVMMSPPNEFPS-LMWOUKEDSA-N 435.868 0.243 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800983266 VBLVBMACYSDAIG-VHDJAEIMSA-N 440.880 0.660 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805814499 VFBXBNLSPQIDBF-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371207 RCGLTTOVKLZYLZ-UWJYYQICSA-N 447.256 0.348 50 20 ICGD Cc1nccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475393 PQTOIWUZXHXRNL-GOSISDBHSA-N 434.265 0.808 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1)[C@@H](O)N1CCOCC1 1819443526 ATUYMIITFUHJBJ-CXAGYDPISA-N 444.330 0.837 50 20 ICGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)c1 1819795974 WQQKETFDFAVGSN-SNVBAGLBSA-N 440.489 0.415 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826076828 FQIJNAFLTQMYJC-KEYDSSBGSA-N 433.914 0.925 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826136416 KZXRUHVEUSGRCA-WCQYABFASA-N 443.595 0.542 50 20 ICGD O=C(c1cncc2cnccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731211 HXDCDDCFJYFKFY-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805522 MTYNEDKKDARZQS-PXNSSMCTSA-N 438.908 0.480 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831429360 NFIGROGOXXTERX-FOIQADDNSA-N 429.326 0.124 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831467323 YINYDVOGUMXYJN-SCLBCKFNSA-N 448.358 0.389 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831646560 LDXRMTVMYNGACN-LVCYWYKZSA-N 438.956 0.815 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833450768 XAVQTCMXWLIRPI-SWLSCSKDSA-N 440.969 0.420 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819059 FCZTWYIBCHGVEQ-HNNXBMFYSA-N 448.343 0.435 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1CCC=CO1 1835720941 YJLJMVOFAWYCGG-OAQYLSRUSA-N 441.337 0.244 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835947826 SFGUBTWPAKYJPE-KDOFPFPSSA-N 430.910 0.884 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)o1 1836025577 MXGIYRZUPHUWGY-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710025 CQYUWHDWKGRUMZ-FQEVSTJZSA-N 438.601 0.958 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062716 DCDZMGPCSJJLLK-MEDUHNTESA-N 431.287 0.216 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200454 LHRLPZLVTCNFLP-DZGCQCFKSA-N 441.370 0.985 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839965527 AYNYHNTZJJTFCA-JTDSTZFVSA-N 446.386 0.958 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840034087 ZZYPMBFJLQICEA-ACJLOTCBSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840152987 AISJZQDXDBDUBV-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183611 PBPSPZYYFBITLA-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840186956 XOUZONUMBLKHGV-QGZVFWFLSA-N 435.308 0.996 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378831 IHJNDIHUFCLPDT-SUMWQHHRSA-N 431.946 0.761 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841352499 SKGIGNHHQLXGMP-CQSZACIVSA-N 425.825 0.937 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015649 SKXSKGFBQVIDPM-MRXNPFEDSA-N 435.289 0.002 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCSCC1)C2 1843415040 DAAMLLRFYPXGJE-PXLXIMEGSA-N 432.550 0.373 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(N3CCCC3)ccn1)C2 1844264122 HGNRVOYLXWAAQH-UHFFFAOYSA-N 449.515 0.811 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844761979 RZQOJANJBGPSDT-LBPRGKRZSA-N 439.900 0.719 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386364 DRHCOHKWEHIUMA-INIZCTEOSA-N 449.552 0.479 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 109852354 AFAFUGDADBCQGL-UHFFFAOYSA-N 441.516 0.906 50 20 ICGD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C1 725870894 CRZQPGHQLCLTEH-OAHLLOKOSA-N 442.476 0.242 50 20 ICGD C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726450170 SPWNANFMWHTBMK-CQSZACIVSA-N 427.596 0.841 50 20 ICGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 729295841 NXYQHSPUHYYFGH-UHFFFAOYSA-N 426.495 0.757 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 729499756 XXRYCXRUQRFHNQ-UHFFFAOYSA-N 445.545 0.965 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC2(N3CCCC3)CCOCC2)c2ccccc2c1=O 729624583 YEVNGNYHRXMWPA-UHFFFAOYSA-N 428.493 0.523 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OCC(C)C 730570378 JFNRSTWISJNGMJ-UHFFFAOYSA-N 435.506 0.765 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)C1CCN(c2ncccn2)CC1 731344421 ZLOHCOKPDPHOCP-UHFFFAOYSA-N 429.502 0.847 50 20 ICGD Cn1nc(C(=O)NNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2c1=O 731597597 FBMNLLWGXFJSKA-UHFFFAOYSA-N 425.357 0.494 50 20 ICGD C[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOC1 733653933 JFWZTUUEWAUAGP-GOSISDBHSA-N 426.495 0.078 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1C 736814369 UIXMAUUXBFIUPJ-UHFFFAOYSA-N 439.515 0.813 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)COCc1ccccc1 737923544 QASIYFHMFUIKEN-UHFFFAOYSA-N 427.429 0.997 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=Cc1c(N2CCOCC2)nc2ccccn12 741807133 VGHBARARWBZOAF-UHFFFAOYSA-N 430.450 0.010 50 20 ICGD CCOc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)ccc1O[C@@H](C)C(=O)N(C)C 743446183 QGPCTKIXXBGDAJ-LBPRGKRZSA-N 431.449 0.835 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744351089 JTWTVXFOZORECA-XPXIOPGQSA-N 431.445 0.162 50 20 ICGD O=C(C[C@@H]1Oc2ccccc2NC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619672 VGJRPPRUAKMXQQ-KRWDZBQOSA-N 446.485 0.940 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)c1 744909524 BGLKSFRIDQLTPD-ROUUACIJSA-N 443.431 0.714 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)CC1 746859517 LNPDGPMPJYUIIU-UHFFFAOYSA-N 432.543 0.931 50 20 ICGD CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 753030432 GVYVAZDKGXAUFB-MKTHODDLSA-N 443.493 0.039 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1 756837264 GAHMSEVMUAGTKN-UHFFFAOYSA-N 427.421 0.767 50 20 ICGD Cc1ccc(Cn2nc(C)c(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C)cc1 758041049 VFNAZFPMWKIVRI-OAHLLOKOSA-N 435.550 0.874 50 20 ICGD COc1ccc([C@@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CCC(=O)N2C)cc1 758827160 IDPZWIFDHPWBHN-MAUKXSAKSA-N 425.445 0.786 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 759284788 DCPYYKCOPHIMTG-GOSISDBHSA-N 449.485 0.777 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(N)c1 761250175 MENZLENZPGBTGD-UHFFFAOYSA-N 430.442 0.552 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1 763462938 DEEMPPGANPBBDX-UHFFFAOYSA-N 433.490 0.806 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 763645685 XJVMQIPELRDGFJ-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2OC)CC1 763664100 QXVAVFILRPJBOU-UHFFFAOYSA-N 444.492 0.713 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763716176 BFKHXMVPYQQVMV-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C#N 763718433 LSFXSWAEPUKYDC-UHFFFAOYSA-N 429.458 0.517 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc21 763729162 VLTHDJMGWHYKNN-UHFFFAOYSA-N 437.456 0.581 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)c2ccccc2c1=O 763789731 BMVGTSMAZGIPCP-AWEZNQCLSA-N 446.467 0.710 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1-n1nnnc1C 764243185 OHNAQQFKARPDGS-UHFFFAOYSA-N 448.443 0.720 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)Cc2ccccc21 764465494 FCJRXIMLHLHFCK-UHFFFAOYSA-N 427.486 0.601 50 20 ICGD CC(C)CN1N=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1=O 766334317 UJSAYVKIDMYTCC-UHFFFAOYSA-N 449.533 0.867 50 20 ICGD CN1C(=O)N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2 772201297 VKEVIBDCKWEZKS-UHFFFAOYSA-N 449.895 0.701 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 772962809 FAULXRIUVYGDPX-NSHDSACASA-N 445.863 0.823 50 20 ICGD Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 773130124 BPEOTHRSDZBISU-AWEZNQCLSA-N 443.489 0.777 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 776077013 PRAOIFKUZPHHJD-KXBFYZLASA-N 425.507 0.695 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 782760469 MIYMBFYFQWPTGD-UHFFFAOYSA-N 444.477 0.057 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 782897514 QCGWQYUEJXRDHM-UHFFFAOYSA-N 443.485 0.700 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2)CCN1 786867237 WQQCPLDSEITJQH-UHFFFAOYSA-N 430.490 0.215 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNc2nc3ccccn3n2)CC1 790367436 MNDZHAWLGGJEMS-UHFFFAOYSA-N 444.521 0.492 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@](C)(O)Cn3ccccc3=O)n[nH]2)cc1OC 790892611 WZEANKPPFBEEHS-NRFANRHFSA-N 441.444 0.468 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 792509131 MDFBAHMNTMXVFY-UHFFFAOYSA-N 445.815 0.949 50 20 ICGD C[C@@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OCc2ccccc2)C1 793178390 ZQHWEMXFYMRJEZ-DNVCBOLYSA-N 438.506 0.553 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1OC 795178344 ZUCURZALSPKVQG-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797675421 URLRIMAVZNUOEM-UHFFFAOYSA-N 444.473 0.969 50 20 ICGD Cc1nsc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)c1C#N 811850621 BASCSCLEWAEUSV-UHFFFAOYSA-N 438.477 0.476 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccncc2)CC1 865900876 GWUZIOLIKNCDFD-UHFFFAOYSA-N 446.485 0.730 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 913055462 ZMXRJKPRNDDQMN-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915684907 MHAKDMZVXLNSKW-QAPCUYQASA-N 426.408 0.892 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)NC3CCCCC3)n[nH]c2n1 919689056 TUSBVVAXAFVEGV-UHFFFAOYSA-N 436.546 0.560 50 20 ICGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919690561 UFGXCBSHRNOOTR-UHFFFAOYSA-N 439.515 0.361 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921021967 LWKZTXMIDHKAMZ-UHFFFAOYSA-N 442.494 0.731 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)CC1 1116224914 DYWSSXTVKRXIAH-UHFFFAOYSA-N 432.543 0.789 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1326949937 UGXXDNHNFMAFSD-CQSZACIVSA-N 449.533 0.965 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)c3n[nH]c4c3CCCC4)cc2CC1 1345173259 JNRGGOPTDFMMRZ-UHFFFAOYSA-N 431.518 0.859 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545905 QJRUMUBUTVWRHW-CDHQVMDDSA-N 444.601 0.968 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1781900774 DOWIRDTZKRLSNR-XTQGRXLLSA-N 429.315 0.550 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccnc1)C2 1782208973 DRBNDHAUXJWOQM-INHHENIVSA-N 443.548 0.982 50 20 ICGD COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)CCC1 1782814635 HWQWONDEIGRLCG-DYESRHJHSA-N 438.569 0.833 50 20 ICGD C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(F)(F)F 1783207453 KUFXSLVQFHXAON-KRWDZBQOSA-N 427.383 0.247 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945262 FUXGAQIHKRPIMA-APPDUMDISA-N 440.324 0.506 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1784371662 ZPPRUCNPZVVNQV-UZLBHIALSA-N 439.944 0.552 50 20 ICGD Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786589056 SJSDTLMTQWYJTO-BJLQDIEVSA-N 446.548 0.727 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786984314 CGTOCUZUILUJMQ-SZFLOTBDSA-N 449.316 0.169 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787409616 DBOGSOVJBQENMG-PEDHHIEDSA-N 433.347 0.587 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476840 CTGRKJCAWXYMOW-RHYQMDGZSA-N 444.286 0.942 50 20 ICGD C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788734640 HTYJSKUXOXZKNK-IHPCNDPISA-N 428.338 0.952 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654801 ANUANMAHJMKCNG-YXWQFLTLSA-N 440.884 0.754 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1C[C@H]1c1ccccc1 1791203650 FSFIDOZIENPOON-SVXFZJLFSA-N 448.328 0.763 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 1791288067 TUTLESNYVKAYEX-YDHLFZDLSA-N 426.514 0.854 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795115698 HYVFCWVSAIHOHN-SSPIMUCQSA-N 432.315 0.890 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)o1)C2 1796439523 IOHHIVAMKIXWEE-SNOXVSQISA-N 427.461 0.925 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)c2nncn2c1 1797692013 PLNTXKULCBOHPE-AYRXBEOTSA-N 442.303 0.840 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800757241 BVSVCRVPXQYFNK-ORXSELOVSA-N 427.255 0.161 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)C2 1800981808 SDGDSRCXARIDBX-IAFLNBNSSA-N 428.913 0.585 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H]1CCc2nc[nH]c2C1 1801269523 SWMYMQBSARUZAV-VHKOSHJNSA-N 429.290 0.795 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343611 DBVHOAJQZGGUSQ-JFILPPLUSA-N 427.299 0.476 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803827882 QMIKQHDWPBKAJH-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804460309 YIJFENFOFYGDJX-IEZWGBDMSA-N 447.923 0.835 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cscn1 1805742612 TXBNNLHZXJRBQU-VQIMIIECSA-N 436.302 0.851 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1808310601 XPEFOWGFRVAHHE-NGFQHRJXSA-N 434.921 0.950 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812407494 CIXRDRHZDGYZNK-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC=CO1)CC2)c1cccc(B(O)O)c1 1815356601 KCJVSKPRRVRNNM-ZBFHGGJFSA-N 427.291 0.741 50 20 ICGD O=C(Cc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361116 XZJFXJWEXZVTKY-INIZCTEOSA-N 436.302 0.686 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1=COCCC1 1815361759 QYBVWVIBXOFKCC-HNNXBMFYSA-N 427.291 0.743 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820162809 ROTZEPDVYQCVEQ-AWEZNQCLSA-N 447.398 0.900 50 20 ICGD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)COC1 1821827027 WNRQKRUXVOLPDO-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1C[C@H]2CC[C@@H]1O2 1822212196 MADZTZPAYUOQTQ-FPAYPSAMSA-N 438.293 0.963 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057526 HSJTZRKNMJRWKJ-JXFKEZNVSA-N 441.337 0.290 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1829749372 WPEIGWFORLOXTL-QGZVFWFLSA-N 431.946 0.915 50 20 ICGD COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829934905 SADXVPFCOLQRJT-CPOKCXMASA-N 449.508 0.002 50 20 ICGD COc1cc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)c1 1830733866 WMQSFRYHVSFYLH-DYESRHJHSA-N 440.924 0.982 50 20 ICGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1)C(=O)O 1833214406 ZGGWISYESZVQBO-INIZCTEOSA-N 430.977 0.886 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621437 PZLAKBIDYWTXIG-GOSISDBHSA-N 430.977 0.144 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCBr)CCO3)cn1 1834822569 WBANOUCBLGVNAX-GOSISDBHSA-N 443.342 0.594 50 20 ICGD CC(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460685 JCPATQUZPQHLIG-NRFANRHFSA-N 433.509 0.191 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837708543 KXHWGJGFABNGCJ-IBGZPJMESA-N 445.658 0.343 50 20 ICGD O=C(c1ncccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838250888 ZDVOOKORSCCRFS-BBRMVZONSA-N 434.237 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838268273 AEOGLQOIIMOIGC-BEFAXECRSA-N 429.876 0.853 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838383727 NSSJRUPOUFBNHX-YOEHRIQHSA-N 446.976 0.946 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840152121 XVLRJQVPXVLEDD-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840154645 BGNJBODUTSXIQP-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD CSCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182879 WSOLDACNFRCQAA-HXUWFJFHSA-N 444.598 0.205 50 20 ICGD COCCOCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038808 VWKRDLRKOFVHEW-UHFFFAOYSA-N 447.536 0.199 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1846683476 VTQFBDQYIPUYKW-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(C)(C)C 1847705159 CKKDUPGTCURFAV-DYLCKBTDSA-N 444.536 0.873 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)NC1CC1 10214100 XIUJJBNALWQLMG-UHFFFAOYSA-N 437.294 0.727 50 20 ICGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 106035534 OUAYCOLENLKIQE-UHFFFAOYSA-N 434.430 0.691 50 20 ICGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 727365387 DTLZLARQXJHJLY-UHFFFAOYSA-N 428.840 0.576 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc([N+](=O)[O-])cnc3O)cc2)CC1 728213467 LRRGYEMNDLOAAL-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 728530104 XWUTUKJJBYDNEP-KRWDZBQOSA-N 439.266 0.939 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ncnc3[nH]cnc23)c1 740746435 CPIQWNAPPRXOQA-UHFFFAOYSA-N 446.493 0.257 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 742471453 QJAZIUCOWLMLJN-UHFFFAOYSA-N 443.485 0.609 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 742698282 OVNSKIWPFWECHE-UHFFFAOYSA-N 430.483 0.141 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 743576592 GNJLILBCZMWLPT-CQSZACIVSA-N 429.433 0.020 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744458613 ILQXIVOHZYZJHN-UHFFFAOYSA-N 444.469 0.863 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744553470 MGTAZKUAYGUNBI-UHFFFAOYSA-N 442.453 0.641 50 20 ICGD COc1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc(Cl)c1OCC(N)=O 745989756 ZEABZDGHBKLGOS-UHFFFAOYSA-N 425.854 0.690 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 746638057 VXTOILNCYJEYSI-UHFFFAOYSA-N 430.424 0.662 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNc1ccc(S(C)(=O)=O)cc1 748139130 SSRPEOAIBDRTJQ-UHFFFAOYSA-N 430.490 0.924 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 761721547 RISPSSZYFZDXPA-CYBMUJFWSA-N 432.506 0.965 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c(C)o1 763602054 LUMXKRNRZMQODF-UHFFFAOYSA-N 426.426 0.686 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1 763662173 VHQMHALRCNLPNQ-UHFFFAOYSA-N 443.460 0.360 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 763680877 HGBVTYGKZYBKRP-UHFFFAOYSA-N 433.428 0.557 50 20 ICGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)ccc2n1 763786949 SGNIOWZFMPVAGV-UHFFFAOYSA-N 446.423 0.890 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 763824329 HURRPGNNICBMIZ-CQSZACIVSA-N 439.501 0.880 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)n1 763892064 UQKQEBNXLWXEGV-UHFFFAOYSA-N 442.476 0.067 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1=O 764321068 QHGCHGXINWTHKQ-UHFFFAOYSA-N 425.214 0.616 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764355967 NQDOYMBDJOYKHL-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764433273 LSZMVIKVRKXOFL-OAHLLOKOSA-N 429.477 0.980 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NCCc1ccccn1 764517162 ZTHXOVYVHXRLBX-UHFFFAOYSA-N 426.546 0.577 50 20 ICGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 765835456 YFIBKBFZRYQJRH-UHFFFAOYSA-N 427.220 0.542 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 768122122 NSYQUAHSNPTAHU-MIFYACCESA-N 440.522 0.608 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768244774 IWRNSQMQZNXSON-UHFFFAOYSA-N 437.416 0.980 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2nccn3c(Br)cnc23)c2ccccc2c1=O 769614575 KWSCUKLWEKKAHK-UHFFFAOYSA-N 442.233 0.814 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 769767462 LYUXFBYYFRKOTL-UHFFFAOYSA-N 436.556 0.319 50 20 ICGD CCNC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 770548767 IZCCEVOMONNLFI-UHFFFAOYSA-N 439.538 0.301 50 20 ICGD CCO[C@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@@H]1Oc1ccccc1 774365660 VCPLMWHNXPVAGK-HOCLYGCPSA-N 433.490 0.300 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNc2ccc(Br)cc2F)n1 783079942 AUXHDUJRXYSAKF-UHFFFAOYSA-N 448.274 0.911 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccc(Cl)nn1 784789726 NZSUFHDACGEFIK-UHFFFAOYSA-N 442.885 0.861 50 20 ICGD C[S@](=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369294 RZGGUEGYTGLXDM-HKBQPEDESA-N 446.485 0.577 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)CCS(=O)(=O)C1 797537490 PJZKCTIOBUCXAU-SFHVURJKSA-N 444.941 0.309 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1cccc(OC)c1O 802722439 ZVKLONHMSPUVHT-UHFFFAOYSA-N 430.460 0.436 50 20 ICGD Cc1cccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc12 808408467 QOVAUHVDPWDFBE-UHFFFAOYSA-N 426.458 0.418 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 810384168 GERZTFPGVBGHSC-ZDUSSCGKSA-N 433.490 0.516 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cccn2C)o1 915191417 KXYVJEUJPJXIDA-ZDUSSCGKSA-N 438.462 0.409 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCOC3=O)cc2)c1 915292620 NXNQEWXMTAKFOA-UHFFFAOYSA-N 432.458 0.968 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCCO1 915636096 LGUVNEPILWLHQE-INIZCTEOSA-N 425.507 0.357 50 20 ICGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)c1nnc(O)c2ccccc12 916637272 XWBWAICPCAQLGS-IBGZPJMESA-N 432.506 0.487 50 20 ICGD O=C(NNC(=O)c1ccnc(-n2cncn2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 917501578 VCZHOWRLMSXBKX-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NNC(=O)c1ccccc1 1319873725 RHHVVFJAXWVSQD-MRXNPFEDSA-N 434.493 0.932 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778903488 WGPYSFHRCZACHB-FDSZKQNJSA-N 428.338 0.930 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522199 SVVAKDLDPNFZBF-PIGZYNQJSA-N 441.282 0.649 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782178678 OWQNSJIHSSPKHB-KDOFPFPSSA-N 437.840 0.514 50 20 ICGD Cc1cncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782210923 ZYVIUARROCVQLX-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccc(OC)cc3)[C@H]2C1 1783769936 QRLPZINBEHOGAR-GBBGEASQSA-N 440.924 0.962 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783931259 YBTNQPIQGDIHTM-BRWVUGGUSA-N 425.309 0.668 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)s1 1783935726 COBRVBPYHLIPNY-HXUWFJFHSA-N 437.566 0.505 50 20 ICGD CNc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786979428 HZQDIJINCNHKEF-YYWHXJBOSA-N 437.305 0.315 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984401 DLHKOISTZBFGAV-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787016525 RMRRWZXILNNVSC-WFGGJUAMSA-N 430.274 0.519 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1791290834 PFQWZHVJBKXHKB-NUXNZHGMSA-N 437.368 0.575 50 20 ICGD O=C(CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)Nc1ccccc1 1792934013 LSQMDKDREXYBRX-MQJTVSLUSA-N 437.924 0.985 50 20 ICGD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1795722935 KKYUYXVRFABHMI-QOIYZWAUSA-N 448.476 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2nccc-2c1 1796200260 RDKZZKFPYHOBIT-HGKCTWBKSA-N 428.493 0.091 50 20 ICGD C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097531 ODPKFMZFOFTPDC-VYCZESIESA-N 449.577 0.241 50 20 ICGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1ccc[nH]1 1799344704 RZAZYWMIBLDKSO-JLUCKKNBSA-N 445.289 0.415 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803543943 PHLSWDOJAJWJQV-BSIFCXSSSA-N 435.289 0.119 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361659 GXENACSXYJANSO-SIKLNZKXSA-N 447.304 0.437 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807371776 ZUZGUYOVANLVFR-UWJYYQICSA-N 449.276 0.015 50 20 ICGD COCC(=O)N1CC[C@@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1808414883 NXVOSWUABVMWKI-VMGGIKTDSA-N 426.477 0.868 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977364 FWCWMAXHDUXQRV-UHFFFAOYSA-N 443.353 0.518 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1 1814159080 NVBKVNUHVQBBJO-OPYAIIAOSA-N 431.537 0.887 50 20 ICGD CNCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814962885 MFFOTEWPFXDSRF-NSHDSACASA-N 431.522 0.367 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2)c1cccc(B(O)O)c1 1815361562 KEDABHIFPXSQJS-SNVBAGLBSA-N 428.106 0.852 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410384 IRSJFFXLGZRMJW-AWEZNQCLSA-N 442.542 0.210 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824184636 ARYXXJHJAAUYGE-QWHCGFSZSA-N 427.851 0.884 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050604 ROWVYTXJMGVBHC-NRFANRHFSA-N 438.337 0.956 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc[nH]n2)CC1 1828923896 DPPUHHMUTQHVJH-LJQANCHMSA-N 439.520 0.884 50 20 ICGD CO[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccc1 1830723928 UWKZBQJVFLALHP-ZWOKBUDYSA-N 426.897 0.430 50 20 ICGD O=C(c1cc2[nH]ccc2s1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731810 PUZAISASQFEFEP-SCLBCKFNSA-N 427.910 0.899 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)ccn2C)CC1 1831873766 WYIAFLKMVZEGQH-LJQANCHMSA-N 445.564 0.992 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833438662 BYMNRASOQHOJKB-LIRRHRJNSA-N 428.917 0.906 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833474721 PDUUUDIREIYXRD-LJQANCHMSA-N 439.541 0.007 50 20 ICGD CC(C)(C)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801110 OYBVFDWWAPFZSK-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1835081717 BHXUXKJKXMEISM-QAPCUYQASA-N 431.984 0.728 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516874 YPGWHYCXYUOTDT-ABAIWWIYSA-N 437.360 0.243 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1837921027 TXZIZMADXXTKBL-KRWDZBQOSA-N 430.310 0.015 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cnoc3)CC2)CC1 1838119597 LUICDMBNOCQRKR-UHFFFAOYSA-N 442.476 0.599 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1838834143 LHGHXTVNVJQQFK-IBGZPJMESA-N 440.573 0.350 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840153341 LCEGPYZPIDZUJA-BEFAXECRSA-N 437.884 0.053 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155598 BEUITZNOVRFRSW-GJYPPUQNSA-N 433.933 0.001 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)(C)C 1840186461 IMUYXFSPKMXSFA-ACJLOTCBSA-N 438.352 0.797 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840434076 QCUNTTVREUYEML-GJYPPUQNSA-N 428.917 0.229 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840490323 YETRMFPTUVSJJQ-KSSFIOAISA-N 443.342 0.994 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013075 FVIJJCSGQKKXLO-UHFFFAOYSA-N 437.261 0.724 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015058 CXUKNNHJCWIMGT-OAHLLOKOSA-N 425.319 0.759 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1843417329 XDEBBXIUXZPNOH-NXYZXBHKSA-N 437.504 0.852 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108674 PCLYFFAWMOSUJE-KKUMJFAQSA-N 445.944 0.671 50 20 ICGD COc1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc(Cl)c1OCC(N)=O 14346883 MFGSCCQHBPUQPS-UHFFFAOYSA-N 445.819 0.524 50 20 ICGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 726717460 WWWUYDYFUVBUDS-ZDUSSCGKSA-N 427.483 0.112 50 20 ICGD CC(C)c1ccccc1NC(=S)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 727174328 LYKKVRKUKURFAR-UHFFFAOYSA-N 429.506 0.575 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)n1 730204907 GAZOFZTTXQSSIA-CYBMUJFWSA-N 436.538 0.720 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730583273 MODULJPOZKMXPF-UHFFFAOYSA-N 436.943 0.671 50 20 ICGD O=C(NNS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl)N[C@H]1CCS(=O)(=O)C1 731339149 OVXLQJCOHKGJLS-ZETCQYMHSA-N 446.290 0.371 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)CC1 734824518 AZXUCPNIMXPCGI-SFHVURJKSA-N 427.527 0.782 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)CC(F)(F)F)CC1 735189613 DQPANGXPYVYJRI-UHFFFAOYSA-N 437.444 0.406 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccccc2)on1 746307549 TVHPVJNGHFOBFT-INIZCTEOSA-N 427.461 0.283 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749890385 MTKFSXRNDGPJAQ-UHFFFAOYSA-N 449.475 0.708 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 751208308 BQIDSSUYBACYNW-UHFFFAOYSA-N 444.922 0.843 50 20 ICGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751279482 KOOVCZUFMUEOFL-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD COC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCCC1 754253590 PJVWEXBIHJPZPO-UHFFFAOYSA-N 438.550 0.408 50 20 ICGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 763509233 OLTXZSFNHGJWLC-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C 763679871 MDMADTIVMGPALB-UHFFFAOYSA-N 425.445 0.659 50 20 ICGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 763797106 PNNSXQLXQAKIOY-UHFFFAOYSA-N 440.481 0.852 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 763858201 QUPGUYDZDMFDRF-SECBINFHSA-N 428.380 0.354 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 763865829 RCDCJNFKHTYHRE-LLVKDONJSA-N 438.437 0.335 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763874099 ZOQYRERDOTUVBA-OCCSQVGLSA-N 428.420 0.983 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(COc2ccccc2)cc1 763998313 PBDYJOJXNDVSAW-HNNXBMFYSA-N 431.470 0.786 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1O 764132741 WXZDBUIJFXWDMK-UHFFFAOYSA-N 437.412 0.765 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cccc1S(=O)(=O)NC1CC1 764263381 GBNSFTCWCIQQCK-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1S(=O)(=O)N1CCCCC1 764338546 IDQBPVASNDXTNC-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766635812 FXNUDAUWCDXOHY-IEBWSBKVSA-N 443.548 0.629 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 766648209 IUOCXNDFVYHEGJ-UHFFFAOYSA-N 448.531 0.614 50 20 ICGD COCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851254 PXVKUJVPCJQCNI-UHFFFAOYSA-N 427.342 0.822 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)ccc1OC(C)C 769650068 BWPCEOQBJAKWTR-UHFFFAOYSA-N 437.540 0.328 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=S)NCCSC)CC2=O)cc1OC 769768107 YEWGRXKNVCWDDJ-CQSZACIVSA-N 440.591 0.953 50 20 ICGD CC(C)(C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 770634481 PVEAVPHJBPIJAP-UHFFFAOYSA-N 434.408 0.937 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003438 FVNGSYBPAFIXKL-UHFFFAOYSA-N 431.474 0.274 50 20 ICGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2)n[nH]1 784003480 GXVJBIGUBPONIW-UHFFFAOYSA-N 427.446 0.358 50 20 ICGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784005044 XSXYHLCCCXDTRR-UHFFFAOYSA-N 445.501 0.657 50 20 ICGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 785234615 NNZVZHXXLMQJRC-CHWSQXEVSA-N 448.455 0.748 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn(CC(F)F)c2)c2ccccc2c1=O 790005709 TVRUZVGNOBGGOR-UHFFFAOYSA-N 440.432 0.891 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C#N)c(F)c2)c1 793351569 ZFKULBUFJLAAJL-UHFFFAOYSA-N 426.451 0.571 50 20 ICGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)CNC(=O)OCc1ccccc1 794072080 RFYJEYDABPONGH-UHFFFAOYSA-N 440.503 0.490 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(OC)ccc2Br)CC1 796122823 SSRKMJBACCDKGO-UHFFFAOYSA-N 449.327 0.395 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 797370518 NTGXTZBYHABMJC-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(C)(C)N1CCOCC1 807002220 SWPLXDDVRWYJHM-UHFFFAOYSA-N 426.543 0.343 50 20 ICGD O=C(NCCCn1cc(Br)cn1)NNC(=O)c1ccc(-n2cnnn2)cc1 807611133 AWMIPADFBBABAB-UHFFFAOYSA-N 434.258 0.656 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1 810386315 USRRMIAQGFAUNY-UHFFFAOYSA-N 449.414 0.895 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cccnc3)n[nH]2)c1 810583742 GTBSNNITBONHBH-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 915163846 DYVPYVVUXXXUFX-UHFFFAOYSA-N 434.386 0.367 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 916378343 LQWMRVRHDWSIML-QGZVFWFLSA-N 445.398 0.978 50 20 ICGD O=C(Cc1nc2ncccn2n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 917902005 FBIOPLMOGMDXPC-UHFFFAOYSA-N 443.489 0.303 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 917921982 HKZPNOZPWVKDRL-QMMMGPOBSA-N 432.252 0.918 50 20 ICGD Cc1oc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 919283609 WAWDWYATBPIVFA-UHFFFAOYSA-N 435.458 0.991 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 1777841104 JRXMERUEDFWKCD-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)c1cnc(O)nc1O 1778009314 NTZYFJMWLWDCRT-OHUAYANFSA-N 447.261 0.706 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326593 YYSKJKQSVJGNKD-JTNHKYCSSA-N 429.308 0.188 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331882 LXWIAXPQCOFBKG-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)[nH]c1C 1783531637 AFDIRWHZDKQPRJ-QGHHPUGFSA-N 427.299 0.614 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)[C@@H](O)CCl 1784095014 ZXKGEMREXJTTDG-NNPKFXBWSA-N 447.919 0.476 50 20 ICGD C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784503430 ZKZXLTLRBINPAW-WVIPKZCGSA-N 445.520 0.691 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1784615072 FSHFWJMRGYUNCW-JONQDZQNSA-N 425.913 0.689 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785690941 POSJFDIMKSDTEF-LEWJYISDSA-N 434.248 0.556 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3F)[C@H]2C1 1787194845 YCLZGHVPOLYQMJ-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1790960499 MDTCBJJDOLZDHE-QMHWVQJVSA-N 448.358 0.291 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1OC 1792722539 KMPJWLWQKFUPLW-YGTYGHESSA-N 426.897 0.917 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186418 LQOPWRDSZXCDIL-USZNOCQGSA-N 437.298 0.843 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796306655 DJWMKNHGKNEQAY-VNQAHTJGSA-N 435.377 0.839 50 20 ICGD Cc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797753992 HSKRMMWTLXVTAP-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349816 LLGTUQQAUIQNHJ-BLUODKFWSA-N 430.278 0.557 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cnn2c1OCCC2 1799933450 KHQHBZGZCWQCOK-JJLQDPRZSA-N 427.299 0.654 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1800334512 MVNCEBNAIMNGFH-AHHPBITISA-N 442.426 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nn[nH]c1C(F)(F)F)C2 1802337386 WMXQEUXSMIZGEL-JGPRNRPPSA-N 431.419 0.448 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cccnc1 1803135838 INTTVXRDLGBSFF-SUMDDJOVSA-N 445.907 0.512 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803148139 OFQQFOPZLOWJRI-FMKPAKJESA-N 427.958 0.171 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCSC(=N)N)[C@H]1c1cccnc1 1807127032 MQXXVTVBNCTRJL-DNVCBOLYSA-N 449.581 0.477 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363873 BZYJDCOUUNPQHM-OHLDOZIISA-N 449.316 0.649 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364219 STCWNQXGBQETFT-GIVPXCGWSA-N 436.321 0.175 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1F 1808885115 XUSKVDRYMOGLOS-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cc2n(n1)CCCO2 1809855803 YVQJZGZMETZXIS-QILLFSRXSA-N 433.896 0.980 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n(C)n1 1809969183 LXTHLUGQOHRVCI-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1812775689 BWBHOAUXEPUUSF-YDHLFZDLSA-N 425.331 0.744 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800640 QRPVWWQFYFEYCG-UTLUCORTSA-N 446.371 0.679 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067180 VCZIVWARCMWLOV-LGZSNQIQSA-N 436.365 0.884 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817116150 SMHBUAFWMCHKSC-SOCHQFKDSA-N 426.923 0.917 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826008801 HQCZMOPDVWQNGL-UWVGGRQHSA-N 426.882 0.234 50 20 ICGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN)CC1)NC(=O)NCc1ccccc1 1826814491 QERNMRUKXFPRBW-HXUWFJFHSA-N 444.580 0.911 50 20 ICGD Cn1c(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2ccccc21 1830720034 QVWWVVILPBIODA-SIKLNZKXSA-N 449.935 0.777 50 20 ICGD COc1ccccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720398 ZGYQGIWTHYFDBJ-UTKZUKDTSA-N 440.924 0.684 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)ncn2)CC1 1831871217 PHPDQZLVPGXSQY-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331164 BMSLOVSPVCGSIF-CXAGYDPISA-N 429.315 0.664 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834777948 OFGMQJWSUUFKFE-RAKGJIHJSA-N 433.299 0.346 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1)c1cccc(B(O)O)c1 1834800102 VZAPTHMWAZAVDO-UHFFFAOYSA-N 425.294 0.458 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834818774 DZUZRWXKDCHTTA-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1834824048 RSSUZTMHYMWFAK-GOSISDBHSA-N 426.311 0.866 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834825517 ZNINMUMZGQWOLB-INIZCTEOSA-N 433.299 0.181 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)no1 1835084016 GQCSBBTYPJNUNA-QGZVFWFLSA-N 443.907 0.819 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835990759 BUAWMMPYIFTZMG-KBXCAEBGSA-N 443.342 0.593 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717264 QKTGNEQCDGMDPG-WMLDXEAASA-N 431.961 0.890 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639261 DIGROKOBNGLTBE-GJYPPUQNSA-N 427.933 0.778 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839962899 UXPXOEXADOQKLV-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840151870 PPKOLGHOPLCSPV-VQIMIIECSA-N 426.901 0.119 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)ccc12 1841350469 DTJZSPJLDVYDHJ-HNNXBMFYSA-N 434.880 0.928 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1844263611 XGXUVOWWLFJKJY-DUXPYHPUSA-N 440.416 0.717 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 10744037 OXQSDKZGBCBNNN-SZNDQCEHSA-N 430.461 0.800 50 20 ICGD Cc1nn(C)c2ncc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc12 728214948 VJMDUNBDKOLOAP-UHFFFAOYSA-N 443.533 0.970 50 20 ICGD CN1CCN([C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)CC1 728464598 VRWBCWSGNDKBQP-IBGZPJMESA-N 430.530 0.840 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 728743302 JNEUXIZOEUGAOT-UHFFFAOYSA-N 449.327 0.826 50 20 ICGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728856124 HSFCIDSEKKFJHW-UHFFFAOYSA-N 448.505 0.670 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 734543767 PLIITXNOXOLPRF-MRXNPFEDSA-N 428.445 0.911 50 20 ICGD CC[C@@H](COC)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 739048388 JHEZNWYCZZXGMB-INIZCTEOSA-N 442.538 0.396 50 20 ICGD C[C@H](CC(=O)NNC(=O)COc1ccccc1O)/N=C1/NS(=O)(=O)c2ccccc21 742652716 HEJUIROZWCMVDT-GFCCVEGCSA-N 432.458 0.436 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 744452108 KDJUYIDIESVAMI-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD Nc1ccccc1-n1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 745060997 TVLYXYJMRGZXGW-SFHVURJKSA-N 437.412 0.599 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)NC(C)C)CC2)cc1 745146362 OWWJKXVKHIVRIA-UHFFFAOYSA-N 439.538 0.347 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746164117 SOGFEOHIZFPLRD-SDDRHHMPSA-N 434.515 0.264 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746553400 KBGWBMRBOJKFPD-XHSDSOJGSA-N 443.529 0.931 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CCCCS1(=O)=O 753270548 HXWFFVXZWXORAX-GOSISDBHSA-N 437.566 0.496 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc2s1 758524005 ROPJEKWIKUJWPW-UHFFFAOYSA-N 435.325 0.504 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 760439817 LPXKYEWFWJDVKB-UHFFFAOYSA-N 428.511 0.454 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)NC(=O)C3(C)C)n[nH]2)cc1OC 763148349 KWTGUWFIYJLCKV-UHFFFAOYSA-N 430.421 0.185 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cnn(CC2CC2)c1 763531390 NJWFMZTWBWWDAE-UHFFFAOYSA-N 439.520 0.591 50 20 ICGD CCn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763572932 VWJZSVKKHYGJAD-QGZVFWFLSA-N 436.428 0.891 50 20 ICGD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763573381 ZZYQRIAZAZLMOW-INIZCTEOSA-N 446.847 0.968 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005480 ZIQULODIOAIWFF-UHFFFAOYSA-N 428.445 0.798 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1Cl 764006243 NBCSSQXGIYYVBN-UHFFFAOYSA-N 432.820 0.871 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cccc21 764201782 CJTARHCFHXDOQJ-UHFFFAOYSA-N 430.486 0.727 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 764318739 ZNGIBDLZXLLCMI-UHFFFAOYSA-N 434.474 0.634 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 764435897 YQULXDDKSPHUKW-GFCCVEGCSA-N 442.259 0.740 50 20 ICGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1C 765178629 ZAYKLEVVIFIAGK-UHFFFAOYSA-N 446.939 0.629 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 765536161 SIFLSKPBCZTRNH-AWEZNQCLSA-N 438.469 0.872 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 768168520 UXJXHLLGNMJFGG-GXTWGEPZSA-N 438.388 0.244 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)cc1 770397702 WYLWSKBBPMHKQX-AWEZNQCLSA-N 426.437 0.505 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 770507893 WRMCUABBDVFPML-DOMZBBRYSA-N 437.449 0.820 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1Br 771902434 KVOZYAIOODBZOL-VIFPVBQESA-N 426.314 0.437 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 772069121 BJJULIFZZYTRRG-ZOCIIQOWSA-N 445.516 0.876 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)nn1C 773498931 FVQZLYKLBKYFFM-SECBINFHSA-N 440.254 0.745 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(C(=O)O)c1OC 777939192 JKXMUSFHOMJTDH-UHFFFAOYSA-N 433.439 0.236 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783425690 CREORYHDACBMBT-HNNXBMFYSA-N 434.312 0.984 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCS(=O)(=O)C1 783425818 DPKQBVHOTWCHPQ-FQEVSTJZSA-N 438.550 0.688 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CCS(=O)(=O)C1 783426809 OGJQTBSTMKNQAV-KUHUBIRLSA-N 425.507 0.771 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 783650489 IPXRCKMXXBLFFF-UHFFFAOYSA-N 436.490 0.417 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C1 783997805 ZORZOZJQTVKJIN-GASCZTMLSA-N 443.504 0.513 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c(OCC(=O)N(C)C)c1 784843786 DXGYKACXKKXNBR-UHFFFAOYSA-N 448.501 0.947 50 20 ICGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 787125132 DQRPDJJGGLGFCY-SJORKVTESA-N 435.956 0.897 50 20 ICGD N#CCc1ccccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 794593879 ZWRLLDIOQSLSPU-UHFFFAOYSA-N 441.513 0.520 50 20 ICGD Cc1nn(-c2ccccn2)c(Cl)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 794887949 XQZHGBQYWPANHC-UHFFFAOYSA-N 448.896 0.264 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cn1 795335791 PNNPJIPFRUZLHP-UHFFFAOYSA-N 433.534 0.526 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 798522475 PARYEZYOGHMJNY-UHFFFAOYSA-N 435.428 0.609 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799259098 OHBQFYMPQWMWNO-UHFFFAOYSA-N 444.469 0.929 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799259394 ZVBXRGJNVAVETN-UHFFFAOYSA-N 440.298 0.957 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CCC(=O)NCCNC(C)=O)cc1Cl 802071336 AXGTYKKQWIDGQA-UHFFFAOYSA-N 429.861 0.542 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 805768716 FGCPIZLMPVVZDT-GFCCVEGCSA-N 442.416 0.470 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)Cc3ccncc3)C2=O)c(OC)c1 806029262 RRYKSHBRFNDPFD-KRWDZBQOSA-N 427.461 0.773 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 806978306 VVMGVPCBKHLHOP-IAGOWNOFSA-N 447.451 0.355 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810813036 HEPHWWYKKMGVGX-UHFFFAOYSA-N 439.494 0.289 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2N1 812535857 ISFPAVPGOPPPFI-OAHLLOKOSA-N 432.414 0.117 50 20 ICGD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814637329 VJMDLFDYUVHUBB-XJKSGUPXSA-N 442.480 0.994 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 849207299 ATXKUDHGXQMFLZ-ZDUSSCGKSA-N 430.373 0.541 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cccn3)nc2)cc1 871208509 BHKAWRHFXBNOTP-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)c1 916294048 UVDAQRPQCOOSIF-UHFFFAOYSA-N 440.503 0.013 50 20 ICGD CC(C)(C)OC(=O)N1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 918001938 JUPGIIAZDBKOAV-UHFFFAOYSA-N 430.469 0.960 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 918715537 DCADTVONOROEIJ-UHFFFAOYSA-N 427.552 0.058 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N[C@@H]1CCS(=O)(=O)C1 919888344 MIRXKTVNFLMYDI-GHMZBOCLSA-N 449.316 0.864 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1115959257 OZUOOWOXIVWIED-UHFFFAOYSA-N 427.465 0.168 50 20 ICGD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C 1339128147 LNYNNRVJVDKHFO-HVKLSRNMSA-N 449.529 0.990 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1779034850 VICTZIZZNUECIH-NTKDMRAZSA-N 449.511 0.859 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176811 KQRRWMKRMGXRDT-MDOVXXIYSA-N 437.928 0.832 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317370 LKPLQYSLTWZNNE-SNUQEOBHSA-N 442.310 0.209 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937366 HBFPDSZIKGRJAN-OEHGHSTBSA-N 429.521 0.688 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784063447 NSOOHGDYEUOHCK-QFIPXVFZSA-N 434.512 0.880 50 20 ICGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1cccc(Cl)c1 1784090069 PUAOPVUWARSQJS-BTYMGIQYSA-N 430.332 0.919 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1ccc(C2(NC(=O)Cn3cnnn3)CCC2)cc1 1788648183 RQJFEHWFSCFJPI-VULFUBBASA-N 449.475 0.941 50 20 ICGD COc1cc(OC)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1789543701 NIQDJMCHXYKMBL-JUKXBJQTSA-N 426.897 0.897 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2)[C@@H](O)CCl 1792975348 ODPPBQYZEYXGFO-KRXQYRFLSA-N 427.954 0.296 50 20 ICGD CC1=NN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cc2)C(=O)C1 1792979082 TVBBFDWLZCXRCI-HIRMHNASSA-N 448.907 0.602 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(OC)c1 1792983500 KVKHTMXARIDOJF-DOHHPOSVSA-N 440.924 0.826 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1794005250 QTAAVSKMDFWNGC-FQPOAREZSA-N 434.222 0.071 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794495154 YZDXCIPESFWQBW-LVQVYYBASA-N 425.493 0.470 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185710 JAVAXEXBJCTSPM-HUJKARHJSA-N 436.321 0.623 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796282971 DTHYXZRGIIXZAL-ZSBFGKGUSA-N 435.553 0.908 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1798522724 RLURJKSMMBMGRO-IVWMJMPLSA-N 443.416 0.760 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H](O)Cc1ccccc1 1800632876 LNIXFWBWHLISJT-KYHPRHEASA-N 425.323 0.965 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1803517740 JVFYCWLKJVZIEC-UXLLHSPISA-N 431.942 0.776 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1805899641 GRENGIBIUFWADT-RXVVDRJESA-N 447.304 0.611 50 20 ICGD O=C(Cc1ccncc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807496004 XSHCMGVWIBQZSC-NFBKMPQASA-N 444.300 0.719 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1810095528 RIPXYXRSWNHGCL-LJIGWXMPSA-N 442.900 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1 1813067568 ATXDERVMKBWYGI-AVRDEDQJSA-N 430.553 0.556 50 20 ICGD CC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795215 KHAOEEGFXLTADL-LLVKDONJSA-N 430.490 0.737 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1822371787 ZRKIBMSXNYRTGL-HOCLYGCPSA-N 426.949 0.903 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1822411059 YMXGXIXPABHZJW-OAHLLOKOSA-N 428.497 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)[nH]n1 1822412756 SIXDEVVIXMENER-HIFRSBDPSA-N 433.513 0.301 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccc(O)nn1)CC2 1826004615 OQCSEUANQOYVPB-NXEZZACHSA-N 441.897 0.884 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827702732 CCJPLZUEQMWBSM-FQEVSTJZSA-N 443.353 0.372 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1830543865 GPYFUCWWSCZYSJ-DYVFJYSZSA-N 429.315 0.440 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720194 VAKUREBYJQQRMX-VQIMIIECSA-N 447.315 0.775 50 20 ICGD O=C(c1cc(C(F)(F)F)c[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728128 PTKSVIOMDPJWEV-XJKSGUPXSA-N 439.818 0.703 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1831098200 CVNLHYFCCIQHJU-IBGZPJMESA-N 446.386 0.960 50 20 ICGD CC(=O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833409056 BVQXGZXHLOXYOF-UHFFFAOYSA-N 443.353 0.167 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1F 1833739885 PJTCPLNKJWHRPK-SGTLLEGYSA-N 432.880 0.435 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1834777731 KHMZXCXLCXGWCM-HEAGNNNHSA-N 447.326 0.736 50 20 ICGD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834800199 YSDPDBDMQFQDNY-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718568 SYTLLNQYFWNXQJ-MRXNPFEDSA-N 440.884 0.387 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837401281 XMJISPDRPCVFIK-OGHNNQOOSA-N 437.306 0.706 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837475520 IREJTTSTBYTJGH-FOIQADDNSA-N 439.944 0.998 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837715226 CXJVWSHXJHWCOG-TTYLXTBDSA-N 440.617 0.766 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837771023 DDGYDVYRFAIYSP-LBPRGKRZSA-N 439.372 0.813 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071907 XXBARHQNXRSRKS-MEDUHNTESA-N 431.287 0.359 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331827 QBOJFEWJKVVHMY-KSSFIOAISA-N 442.310 0.421 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198086 SIGPCDFHZAJTCR-GUYCJALGSA-N 446.273 0.851 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036966 UPQRDMMBTIZCTM-HEHGZKQESA-N 439.372 0.340 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1840153407 NWWGLIZRVTYWSA-FRQCXROJSA-N 434.917 0.284 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184817 CNLCQJDDZDIJHJ-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188639 VJZNQTNQIIBOCR-KRWDZBQOSA-N 433.292 0.539 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840227005 AWNBUKNGSCRCDA-HBUWYVDXSA-N 446.342 0.000 50 20 ICGD O=C([C@@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014992 WOHUJZAXKWMCSN-UUOWRZLLSA-N 445.284 0.093 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843216700 NAVOUACULOZAHL-OAHLLOKOSA-N 429.926 0.697 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845576945 UPZHRHHEKBJBNA-UHFFFAOYSA-N 449.232 0.282 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847498279 FHMRFOJYEACVOL-RDBSUJKOSA-N 436.372 0.645 50 20 ICGD O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc([N+](=O)[O-])cc1 8953629 SNOIQPNPRAPADG-UHFFFAOYSA-N 439.384 0.768 50 20 ICGD O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)NNC(=O)c1ccccc1 11364234 JKWQTHDJBPDQSN-MRXNPFEDSA-N 446.533 0.847 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 15639386 KYWMQUXFEZETLS-GFCCVEGCSA-N 449.938 0.320 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 23391798 GRDGPMRRYMTVJK-UHFFFAOYSA-N 429.476 0.121 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)cc1 726084792 USDJFUYWNJJYCP-KRWDZBQOSA-N 445.476 0.422 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1Cl)N[C@@H]1CCS(=O)(=O)C1 727671288 SZOQHVOVZAKEDL-MRVPVSSYSA-N 446.732 0.782 50 20 ICGD O=C(COC(=O)CN1Cc2ccccc2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 730057333 OKEYLZVLPBLURX-KRWDZBQOSA-N 425.397 0.173 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 730203053 HDWXQIMYQWEKNB-HNNXBMFYSA-N 440.499 0.856 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2ccccc2OC)c1 731500462 GFEZPADQUOGUGB-UHFFFAOYSA-N 435.462 0.186 50 20 ICGD CCS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 732580522 HOMBQHJYIWKOSU-UHFFFAOYSA-N 443.478 0.931 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@H]2CCCO2)c1 734677010 GZGRFLFXAMKIEG-MRXNPFEDSA-N 442.538 0.857 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1C 734807242 WNFASELUBGPKKZ-UHFFFAOYSA-N 439.515 0.796 50 20 ICGD O=C(C[C@@H](C(=O)NN=C1CCn2cccc21)N1CCOCC1)NN=C1CCn2cccc21 741767594 ZVOSNWLSXXTWDO-FQEVSTJZSA-N 437.504 0.529 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c1 742300814 QJPSTLPIBDFOLA-OFQRWUPVSA-N 440.547 0.577 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N1CCOCC1 745995963 FSQLODRCRZMNPI-ZDUSSCGKSA-N 434.515 0.299 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1Cc2ccccc2O1 748328033 ANIXGTBZDBJRSE-MRXNPFEDSA-N 449.445 0.207 50 20 ICGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 751111059 LIGSRBPRQMSQSH-UHFFFAOYSA-N 443.552 0.834 50 20 ICGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 753361223 ZTWJOPZNHVTJOA-CEXHIMGSSA-N 430.552 0.572 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C(C)C 753839768 DJMALHXCYHMFDM-LBPRGKRZSA-N 430.531 0.076 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1)OCO2 753840352 JJKGAGLFWKSRLW-UHFFFAOYSA-N 440.368 0.238 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 756193411 HJHYGGBTZYBGPG-GFCCVEGCSA-N 425.511 0.840 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 756528749 WRNXHUDXHHGJJO-UHFFFAOYSA-N 444.473 0.617 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756656413 XLGPUPLTOCZEAP-UHFFFAOYSA-N 446.464 0.372 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756820516 GMOMNJCKIPUFLZ-CQSZACIVSA-N 439.538 0.425 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNc1ccc(C(N)=O)nn1 757398284 FPLSXAQVSCRHIA-UHFFFAOYSA-N 448.505 0.906 50 20 ICGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NN=C1CCC2(CC1)NC(=O)NC2=O 758098631 DJUONILQTRPMDZ-UHFFFAOYSA-N 441.469 0.973 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC1(C)CC1)c(=O)n2Cc1ccccc1 760105483 WBBYOOHDOBVNDA-UHFFFAOYSA-N 438.488 0.766 50 20 ICGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760132030 NWKALCINBOCFND-HZPDHXFCSA-N 428.511 0.140 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNc2nccc(N3CCOCC3)n2)=NN1c1ccc(F)cc1 762855972 QCPFUVGROLRGCY-OAHLLOKOSA-N 428.428 0.016 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763455442 SCGJPYPHZDNAGR-UHFFFAOYSA-N 427.373 0.947 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(C)(=O)=O 763571972 JXFXWPQLKSHTAN-OAHLLOKOSA-N 433.442 0.324 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572055 LNZDVDJNZKYDCK-IBGZPJMESA-N 440.456 0.758 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 763682350 RBNJDDIHYFCMHM-UHFFFAOYSA-N 428.401 0.581 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763745455 GRDGZNOTVHGIQR-UHFFFAOYSA-N 425.445 0.089 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763892959 OXCUBISCTFUNLG-UHFFFAOYSA-N 442.476 0.673 50 20 ICGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)S(N)(=O)=O 763939748 HDYBGTSCUQCFTN-ZYHUDNBSSA-N 444.579 0.453 50 20 ICGD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 764033543 HXBFSPLILIMGSA-UHFFFAOYSA-N 430.486 0.858 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 764043117 OSPLBFYFILLMQQ-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 764077707 MCRFJRLSQDOZHQ-UHFFFAOYSA-N 441.368 0.811 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1O 764130212 DFLQXCPLVBFWCL-UHFFFAOYSA-N 442.472 0.675 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 764136810 TZZXQSKPMFTHGX-ZDUSSCGKSA-N 428.445 0.997 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c2ccccc2O1 764342160 BKWJTNJZFDTGPU-GOSISDBHSA-N 448.439 0.174 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccccc2O)c2ccccc2O1 764394632 UWFUZGPLUNBCBC-OAHLLOKOSA-N 445.453 0.599 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 764399220 JXCIAJJVEIMABJ-LLVKDONJSA-N 434.840 0.535 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n[nH]1 765586108 MJTOTHKAMYYEHP-UHFFFAOYSA-N 430.284 0.610 50 20 ICGD Cc1ccc(-n2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)nn2)cc1 765735290 JMXVHQHTVIYZMM-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737652 HOJHZEKAKVVMIB-UHFFFAOYSA-N 441.444 0.579 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1 771150543 VEHGGIOFPGIKHO-UHFFFAOYSA-N 447.466 0.838 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776836906 VZJSYAKLFQRFNP-HUUCEWRRSA-N 425.530 0.476 50 20 ICGD COC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 776875528 ZRQNHWLEJCRVBW-AWEZNQCLSA-N 433.513 0.890 50 20 ICGD NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 777790087 NGKDHXYIWLNDIV-MAUKXSAKSA-N 446.504 0.695 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971374 ZPVRUYOAGKURKZ-OAHLLOKOSA-N 449.414 0.809 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 789731439 HTEWKCDIARROIO-QWRGUYRKSA-N 428.536 0.569 50 20 ICGD COc1cc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1Cl 789805027 XKUDOSIUYPFTTF-UHFFFAOYSA-N 436.856 0.486 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 792799135 WOYKKNPSYDEZGV-UHFFFAOYSA-N 448.501 0.183 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2)NC(=O)NC1=O 794074877 CZPQDRVCNDMAAN-NRFANRHFSA-N 439.428 0.429 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 795279830 GKZGISLWYNXICI-UHFFFAOYSA-N 428.492 0.029 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCS(=O)(=O)C1 810392940 HYAGLVCHNBIRPV-IBGZPJMESA-N 429.458 0.882 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 812868090 RUHGYEZVBMFCAU-GFCCVEGCSA-N 448.480 0.868 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 812931395 DMGXSHNWJLTOGI-CYBMUJFWSA-N 434.449 0.979 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 816828987 XFKLMSHWWSATIZ-MNOVXSKESA-N 449.327 0.279 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 917728683 GHUWLEURWRLLDN-UHFFFAOYSA-N 432.502 0.930 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)Sc2nncn2C)c1 917900867 HRNDTCIHJBOOCV-LBPRGKRZSA-N 440.551 0.787 50 20 ICGD CN(CCCNC(=O)NNC(=O)c1ccc(F)cc1Br)S(C)(=O)=O 918208254 AHKIEZIERZZIAW-UHFFFAOYSA-N 425.280 0.814 50 20 ICGD C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884721 KSSFPDZWFWCYDQ-GXFFZTMASA-N 432.499 0.403 50 20 ICGD NC(=O)N[C@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 928975564 VHFYBYVPNPYBOD-PBHICJAKSA-N 442.428 0.317 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 1777842311 ZTCAEBHIKOQUPW-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1779535236 MLRLCMYPGMZHCB-HSTIPLNKSA-N 434.306 0.882 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872943 IBPCTBPWBDHZGM-GTNSWQLSSA-N 440.298 0.050 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334449 NYLZAZBISINOFZ-WBMJQRKESA-N 430.230 0.944 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783354063 MWECMTNXYJFEKI-DOMZBBRYSA-N 425.345 0.425 50 20 ICGD Nc1ccccc1/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984633 XGXBELODRJUSLD-AFRXPDRBSA-N 449.316 0.255 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1788764112 MCPVAITXJBSARE-HJWJTTGWSA-N 440.642 0.844 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870228 ADKDHFNUDHMTNZ-LXFSFDBISA-N 428.331 0.535 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794062838 TYUVUQHEUBCGGL-WVNFENISSA-N 441.492 0.066 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)cn1 1795114400 DQPMAYSKNVXGBP-YWVIFJGQSA-N 440.294 0.856 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1Cl)C2)c1ccc(B(O)O)cc1 1795734825 VQOJAMPQNZRYEZ-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1C)C2 1796441385 FYNCMIFQOIKRHN-OBAMXFLESA-N 439.476 0.122 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc2ccccc12 1796773281 XDGFSVHBLHBGOI-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H](F)Br 1799349875 MPZDALKHEIZEIP-GYOPHPBKSA-N 436.278 0.796 50 20 ICGD N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)ccc1F 1800132537 FOEXDLMXLJQTHK-ACDBMABISA-N 435.264 0.872 50 20 ICGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1801961085 QLVQPTMPBKENHH-CHWFTXMASA-N 445.339 0.873 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)[nH]1 1803819846 NFRKSOQHDMMCRG-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807360322 KJCMVSXRZUXMMV-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807365665 WFBLMMBGZSOCJB-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)C1 1809969690 MJDMBWJPTMLXSM-IBGZPJMESA-N 427.354 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1 1813070799 KKSVJJKAGQUKPF-DYESRHJHSA-N 427.509 0.357 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2 1815066718 MZCSPTCJHSONID-AMXGMDGSSA-N 436.307 0.338 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccn(C)n2)n[nH]1 1817566045 WQVPJOHHKMVONN-MRXNPFEDSA-N 430.513 0.751 50 20 ICGD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1817588044 LMMUIXLRERGWCC-MFKMUULPSA-N 427.914 0.812 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824592776 XVRROXCMJAAMQI-RDTXWAMCSA-N 444.536 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)n1)CC2 1825998239 HCKLXCOBRSDWSM-JGVFFNPUSA-N 427.870 0.824 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)n1)CC2 1825998242 HCKLXCOBRSDWSM-YUMQZZPRSA-N 427.870 0.824 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)c1ccco1)CC2 1826081065 NXZDOBYYAUVISC-DIFFPNOSSA-N 435.506 0.755 50 20 ICGD COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)CC1 1830534817 CLYIYLJCMGSKRF-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732668 VAYZYMPHVNETBL-UGSOOPFHSA-N 448.303 0.413 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1831646828 NBNMXNHJVLDOPH-UGSOOPFHSA-N 428.873 0.365 50 20 ICGD Cn1ncc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1Cl 1833312701 XUDXTVFMFYIGFQ-OAHLLOKOSA-N 432.352 0.858 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NC(C)=O)CC2)CC1 1833487191 YYDREKSTOKKYNM-KRWDZBQOSA-N 430.977 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cncc(F)c3)CC2)CC1 1834257086 WRVGSRMPEHLPBW-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1834775039 MFTXQOOAFNGYFI-UBZMYNMCSA-N 437.320 0.798 50 20 ICGD CC(C)/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801378 DFGKIXWHPQNQSI-VOTSOKGWSA-N 427.354 0.764 50 20 ICGD COCCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1835184872 LDGNMGVMJORNLU-SFHVURJKSA-N 441.960 0.314 50 20 ICGD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1 1836054540 UQIRPUYMUXEIRQ-INIZCTEOSA-N 425.917 0.270 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718107 QYQAGBILYXVEQJ-GOSISDBHSA-N 437.924 0.997 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871865 KSZKTLUWTXGRMV-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1837372574 PTJRBURPQZSMGQ-UHFFFAOYSA-N 439.321 0.631 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1)C(=O)O 1837651749 HBBWDPSEXSSVSD-OAHLLOKOSA-N 448.358 0.833 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1 1839963740 UPMQEASJAXRXNN-YRBFXIGRSA-N 434.375 0.990 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840150626 OQRVRVLXGNDDHP-HNAYVOBHSA-N 427.885 0.876 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840152185 AOMSVCMRTAIJSE-SCLBCKFNSA-N 444.941 0.739 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1840155661 GINVGVFRZSOYSF-OXJNMPFZSA-N 448.944 0.820 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270907 OCKOSSWXAUBFBO-WSMBLCCSSA-N 437.306 0.684 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841387193 XXSANNFEVUZPOP-LEWJYISDSA-N 434.301 0.479 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844264386 MUEPHMSIGFDJSP-UHFFFAOYSA-N 425.489 0.201 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1846360845 JHSWAIMNTZXANU-CQSZACIVSA-N 429.926 0.697 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)COc1cccc(N(C)C)c1)C2 1846384193 PBSSCHXMJNAROF-UHFFFAOYSA-N 431.537 0.708 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CC(N)=O 1847858651 OHFKVKKEJJWSLU-RLCCDNCMSA-N 432.433 0.847 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)c1 104739466 OEKCVQAGTIXUFV-CQSZACIVSA-N 435.506 0.028 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3cnnn3)c2)c(C)c1 725897989 DNGMGQHGZFUXNM-UHFFFAOYSA-N 429.462 0.552 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725901922 ALRDEBXPXCJJFX-UHFFFAOYSA-N 430.446 0.413 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCC(=O)N1CCc2ccccc2C1 726715864 URBSKIAYDKVKNR-UHFFFAOYSA-N 427.417 0.889 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)C(=O)OC(C)(C)C)cc2)CC1 728717750 WDLHOWZEJMNSAS-UHFFFAOYSA-N 441.554 0.933 50 20 ICGD O=C(NNC(=O)c1ccc(I)c(F)c1)N[C@H]1CCS(=O)(=O)C1 729341793 SVDFDTBKRFOWEP-QMMMGPOBSA-N 441.222 0.561 50 20 ICGD O=C(NCCCNC(=O)c1cccc(F)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 732236507 XXUVJGMJQLNPIK-UHFFFAOYSA-N 426.412 0.566 50 20 ICGD COc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(OC)c1 735117030 LUJOLEOYWJEOIT-UHFFFAOYSA-N 435.506 0.792 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 741144472 UGVAVXPVUVDFAT-LLVKDONJSA-N 428.442 0.307 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2ccc3ccccc32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 746225171 UDYUWQRCLOXJSW-UHFFFAOYSA-N 431.430 0.967 50 20 ICGD CSCc1noc(CCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 746821342 GRKLDXNNYXYACZ-UHFFFAOYSA-N 433.899 0.627 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(-c2ccccn2)nc2c1CCC2 748341396 SKFPXLSKDUQCLD-LMSBXDPUSA-N 434.456 0.633 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 756162563 CPVARORDALAKIS-UHFFFAOYSA-N 426.838 0.152 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC(C)(C)C 756682711 PDVHRNBVKKJHDQ-NSHDSACASA-N 449.555 0.162 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 757630315 VFAGMERYHOMXLA-UHFFFAOYSA-N 439.432 0.349 50 20 ICGD Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 757644538 HWURJYMIZGQSKD-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD CC(C)CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 757776136 PFBZJGZUFDWFNZ-UHFFFAOYSA-N 427.527 0.972 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758833938 NEENBJOYTHEGEH-YUNKPMOVSA-N 430.465 0.304 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 759897117 MUUMDIMXWAUORI-YNEHKIRRSA-N 436.490 0.248 50 20 ICGD Cn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 763612504 JEAKTZOAERRNIW-UHFFFAOYSA-N 445.443 0.522 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 763877482 KUPSLZVJLSVHTD-CYBMUJFWSA-N 442.428 0.307 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 764163782 MHTYZYJPCYCVOG-KRWDZBQOSA-N 426.477 0.630 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 764188089 LIZPLUBKBCIIKT-UHFFFAOYSA-N 435.506 0.823 50 20 ICGD C[S@](=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764203677 NTOTYUALMYXOJR-LJAQVGFWSA-N 426.495 0.815 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 764375653 ZOVYAMTWGHETNF-UHFFFAOYSA-N 444.477 0.105 50 20 ICGD CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 765111418 GNEYCZYHMWVBDC-UHFFFAOYSA-N 438.554 0.786 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2csc(S(C)(=O)=O)c2)cc1OC 767043717 JIRUGFCPEIYMEO-UHFFFAOYSA-N 442.471 0.787 50 20 ICGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 767431409 PHBGWLXBFHNPNJ-GFCCVEGCSA-N 433.465 0.624 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 768611974 LJHNSDKTAMFYAS-UHFFFAOYSA-N 441.531 0.947 50 20 ICGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 770228578 QGXFNOLZXPRDST-GOSISDBHSA-N 439.831 0.016 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 771607539 NLZVRCJNUXBWLO-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 771936863 DAUMTTPDYDMWTF-MRVPVSSYSA-N 426.278 0.761 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc(OC)c1OC 779578566 KVMAFCNSGCTCBF-CVEARBPZSA-N 430.417 0.444 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 779844415 IWSRGZFIBIDLDN-UHFFFAOYSA-N 442.219 0.040 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NN=c2sc3ccccc3n2C)c2ccccc2O1 783351419 FXCIMMCGQFZXIV-HNNXBMFYSA-N 425.470 0.712 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 785721086 ULVSRJWUOLVEGF-ROUUACIJSA-N 429.473 0.740 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1C(=O)N1CCCCC1 787560024 JZJVHDILGCDHCR-HXUWFJFHSA-N 436.534 0.758 50 20 ICGD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n1 789740575 WQXJPENEBSJTSV-LBPRGKRZSA-N 443.338 0.565 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1CCS(=O)(=O)C1 792853990 ICYAFWJUJUZSPW-CYBMUJFWSA-N 431.536 0.283 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1 795385753 KSGLZZXAQIQIJK-ZDUSSCGKSA-N 427.479 0.293 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 796482480 MXABFTDOQOIZNQ-CYBMUJFWSA-N 445.517 0.868 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1OC 797368979 KUADHYGWUKPHJA-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 802056888 FNJJAPNOOCXUMA-UHFFFAOYSA-N 435.418 0.103 50 20 ICGD C[C@H](Oc1ccc(C=O)cc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 803963013 XNFNBPKECXUYNL-UGSOOPFHSA-N 428.397 0.797 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 807004811 WEXAJHFOFVKSHS-UHFFFAOYSA-N 431.474 0.356 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cn1 814646846 UXLIZGZGZRJAKL-GFCCVEGCSA-N 444.477 0.283 50 20 ICGD CC(=NNC(=O)N=c1cc[nH]cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 815002553 GREJBHGMDUVXIC-UHFFFAOYSA-N 425.492 0.775 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc(C(=O)OC)c1 815569368 QHUUBSTVITXTIF-UHFFFAOYSA-N 431.401 0.490 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C1CC1 825456769 IZACKZHFPNNWKF-LBPRGKRZSA-N 436.412 0.175 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc1 887355245 IYASOPWZFPJKKA-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 913455241 QUUOFTSOERTEMX-UHFFFAOYSA-N 432.458 0.462 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccccc1F 915921686 DYXADHZFPAKFIP-UHFFFAOYSA-N 436.465 0.991 50 20 ICGD CCn1cnnc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916580485 FBFWAAGNKRAOHO-UHFFFAOYSA-N 435.510 0.617 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)CN1CCCC1=O 920825266 IRSKHFMFTRORFC-AWEZNQCLSA-N 437.478 0.216 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778556265 LPPUROODDQPVLB-CZUORRHYSA-N 431.262 0.800 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1779031636 CLZJGEVPGAIFPX-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[nH]1)C2 1779372719 ZKUMINYKHPOQSQ-DYESRHJHSA-N 426.477 0.455 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331546 NAQPGRXUNWECHS-CABZTGNLSA-N 435.168 0.612 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1783275622 KLHKDBNDRLWCCT-IMAOXBOFSA-N 430.505 0.608 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3c(Br)cnn3C)CCO2)C1 1783874047 BWWDWBAADRCSHX-WBMJQRKESA-N 449.733 0.880 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937746 OCXKNVCHKFDAFA-HRAATJIYSA-N 433.509 0.052 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C[C@@H]21)[C@@H](O)CCl 1784085391 IRCZDJNEBGJEPR-DKIMLUQUSA-N 449.935 0.985 50 20 ICGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)s1 1789687950 AUGKWLWTRCPMAD-MXAVVETBSA-N 444.937 0.657 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2ccoc2cn1 1790325113 BFRXAKYBBBODEM-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790963951 IOKIVOQUAZUCMN-XUXIUFHCSA-N 449.415 0.624 50 20 ICGD O=C(CCn1cncn1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791793801 NUPPRYUNLLXLDD-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467326 UOOKZOXSPWRKBC-FQLMCAECSA-N 434.400 0.798 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793630709 QPAKBCMFXNRUKL-XLWJZTARSA-N 431.917 0.185 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482738 UXOPPZDHOXFZSQ-QHHYFVSCSA-N 448.907 0.623 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1799268685 DEXMJTGAPIJAPF-HLPPOEQASA-N 440.953 0.499 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1800332333 DBMHSASILBLMAG-XBHGAPDLSA-N 444.438 0.740 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1800641737 IONXNKLMRDGNOL-GXDRMJSYSA-N 428.327 0.584 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801378069 ZYAUBLKBWCOIQZ-ZSBFGKGUSA-N 427.343 0.954 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806375230 SIGWEYMNTZHZPF-UWJYYQICSA-N 439.277 0.034 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376235 URLMYGJPLJGAOG-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD O=C(CN1CCCCC1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809529604 VCFPSRDUAYIUOS-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968440 YDIGURPEWWYTBU-IBGZPJMESA-N 429.326 0.126 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1ccnn1 1809980197 LNLBTPNXMJKRNW-INIZCTEOSA-N 425.298 0.064 50 20 ICGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295033 PGOXDEXEKRSSCW-YOEHRIQHSA-N 442.476 0.019 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2CC(=O)C2)[C@@H]1c1cccnc1 1810307702 GOAKBCSWHJXECQ-AUUYWEPGSA-N 436.472 0.379 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1812867559 JPZRVCDDMCVENN-WPKBUWHJSA-N 449.305 0.796 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813070110 GIYQNXGSGUBHMI-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD Cc1ocnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798058 SNEKSYDCDFHCQS-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD O=C(CN1C(=O)CNC1=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823003276 YEACVKYZFDMCDU-KGFZYKRKSA-N 448.274 0.297 50 20 ICGD CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823079655 OAPUHKIWLLXJQX-DOMZBBRYSA-N 444.322 0.850 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1824452062 XMFJJAHOOGMNFE-RYUDHWBXSA-N 445.549 0.708 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1825994111 HWSWYIMZEHUUSG-GHMZBOCLSA-N 440.909 0.624 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1826004639 PVQLLJNRDVIEAF-GHMZBOCLSA-N 425.898 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3cnc[nH]3)sc2C1 1826570275 AYFUPCDFFHCEHA-FVOPLDGLSA-N 431.522 0.865 50 20 ICGD CNCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826888480 DSXUZHABUGLIAT-LJQANCHMSA-N 430.553 0.918 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057264 APWKVQYOGGEFIB-GEFUHLBYSA-N 448.394 0.758 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829091470 VAUGIYRKVLCECR-OXQOHEQNSA-N 441.337 0.290 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1830953360 CGJHQNVJZWJRRB-WBVHZDCISA-N 447.305 0.418 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833475507 QJDQKUFYTXFALY-MSOLQXFVSA-N 448.303 0.392 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331166 BMSLOVSPVCGSIF-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834630754 SHXRHWACWVNDIT-CYBMUJFWSA-N 431.375 0.677 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818780 ANXGKDAQBZHCEW-KRWDZBQOSA-N 429.315 0.758 50 20 ICGD O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826364 MRNLPCVXWFQQBG-OAHLLOKOSA-N 439.328 0.046 50 20 ICGD O=C(CSc1ncccn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836115582 IARMYPXPZZEHPY-MRXNPFEDSA-N 435.333 0.829 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419360 DOUBTIDXTOMSDJ-PIGZYNQJSA-N 444.282 0.346 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837055515 JMYNCMVTIPUXEG-KUHUBIRLSA-N 440.859 0.372 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837713003 CHNANGVZTIBCEF-LJQANCHMSA-N 448.556 0.046 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311572 ZLWXUUPACVDUFD-BDJLRTHQSA-N 449.733 0.927 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838637206 JEOKYTVDQACFBP-SFHVURJKSA-N 433.977 0.289 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840035587 WNNJJQKRMKQAPJ-HEHGZKQESA-N 430.303 0.079 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1840150524 NGWUNWWYOOQUOW-JXFKEZNVSA-N 441.912 0.722 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840153426 OJUYZOCFXGKBCN-DNVCBOLYSA-N 426.901 0.153 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938333 OEHZNWZVPKNBPN-LPHOPBHVSA-N 446.386 0.960 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843012444 PRSSLCTVSKMRNQ-IRXDYDNUSA-N 428.294 0.163 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nc2ccccn12 1843656908 DMVCXFSTEJWGHU-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(N)=O)C1 1845400507 PNYABDPIVFSKES-AFUMVMLFSA-N 436.472 0.737 50 20 ICGD Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 22599695 OZNYSQQMKJADPZ-UHFFFAOYSA-N 449.471 0.302 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 116505562 WQKTWCKSPIJSSV-LBPRGKRZSA-N 439.494 0.020 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 729509588 WALBOAFUTLNPBD-OAHLLOKOSA-N 433.432 0.385 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 734239360 NNRBHPRZZOOCAF-UHFFFAOYSA-N 439.494 0.328 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nccnc3Cl)c2)CC1 734260818 QMHVUFIDGIUUNJ-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCN(CC2CC2)C1 739035883 QODBWTQBLSOTNV-KRWDZBQOSA-N 435.550 0.899 50 20 ICGD CN(C)c1nccc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 740112682 OFOUOCFQPYHGPA-UHFFFAOYSA-N 434.522 0.639 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1ccccn1)N1CCOCC1)c1ccccn1 741767566 ZGNCXKWHPFJDMZ-HXUWFJFHSA-N 437.504 0.948 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744593894 ANWGZUIXFHANDS-UHFFFAOYSA-N 446.441 0.358 50 20 ICGD O=C(C[C@H]1Oc2ccccc2NC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619674 VGJRPPRUAKMXQQ-QGZVFWFLSA-N 446.485 0.940 50 20 ICGD CCOC(=O)N[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)C(C)C 744619759 XNGQNWNUVYEICH-INIZCTEOSA-N 428.511 0.921 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C(=O)N1c1cnn(C)c1 745916303 BTZLMSWEKJSSJY-IUODEOHRSA-N 438.448 0.449 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 748716078 KUGPEEJPNMFMQB-UHFFFAOYSA-N 430.914 0.800 50 20 ICGD C[C@H](NC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1 751617956 LPTMYRRDNUSHGZ-NSHDSACASA-N 430.527 0.754 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cccc1S(=O)(=O)NC1CC1 756707193 VGGWKMNVFHGRRF-NSHDSACASA-N 430.508 0.023 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)nc2ccccc21 757740482 IGDSAGKQXSPBMV-UHFFFAOYSA-N 427.486 0.976 50 20 ICGD O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757805121 CNXLJVAFKOSJQG-UHFFFAOYSA-N 434.434 0.663 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)n(C)c1 761731890 IXZHOOTYWUNTBP-UHFFFAOYSA-N 435.506 0.764 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(C)=O)sc2c1CCN(C(=O)OCC)C2 763518051 NAKMHLOQNKSRFC-UHFFFAOYSA-N 426.451 0.545 50 20 ICGD Cn1nccc1NC(=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 763614729 XAYZXYUHFYAYIR-UHFFFAOYSA-N 445.443 0.522 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1N1CCOC1=O 763678015 BIUZDNWJHDAKQD-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763679850 DIFUFQZJPRYARU-HNNXBMFYSA-N 431.449 0.626 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cccc1-n1cnnn1 763865505 KRSKZSVIGQPQJK-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Br)cc1 763921253 KOFMYABBPYQDDB-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c1O 764132287 MKNWXGFGYHBNKE-UHFFFAOYSA-N 447.411 0.929 50 20 ICGD CC(C)OC(=O)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 765906697 WMICWDITOJYCTJ-UHFFFAOYSA-N 442.542 0.376 50 20 ICGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)S1 766661684 YKHHAUSOFOPFJU-AWEZNQCLSA-N 438.941 0.161 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 767305697 CVHMFRCMCUJRSK-UHFFFAOYSA-N 449.441 0.854 50 20 ICGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 767414022 CAGDNKJKVCAKIJ-UHFFFAOYSA-N 432.502 0.964 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 771867174 IUPRQNCFOFZKLW-LBPRGKRZSA-N 436.490 0.337 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772114401 JCRMQYQHQFNWRL-BXUZGUMPSA-N 442.450 0.237 50 20 ICGD CCC1(O)CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 772589509 QHGHQXHGYKIMPI-UHFFFAOYSA-N 440.570 0.728 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 772967172 NOBSPAWXRFIDPS-JTQLQIEISA-N 431.836 0.514 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ccccc1[N+](=O)[O-] 773651434 XKLIXOHHJOXQQN-UHFFFAOYSA-N 433.446 0.878 50 20 ICGD CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777836863 LQKPTIWFUQQOCV-LBPRGKRZSA-N 425.349 0.395 50 20 ICGD COC(=O)C1(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CCOCC1 781782288 RYQPRYYWHCPEQV-UHFFFAOYSA-N 441.510 0.202 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1C#N 782896297 FFXSURNTPWFMMP-UHFFFAOYSA-N 428.474 0.868 50 20 ICGD N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782964922 BEELZHRHIDQDHN-UHFFFAOYSA-N 435.440 0.696 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc12 783999366 NDZSJTUGTPSYBZ-UHFFFAOYSA-N 442.428 0.100 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 788141505 AGRFHFDZBKXCNG-VIFPVBQESA-N 431.906 0.437 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1 788232180 PVOVDLIPIMQNOK-UHFFFAOYSA-N 428.492 0.016 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1CCc2ccccc2C1=O 788725848 QBFKNKHHQBAIJO-UHFFFAOYSA-N 429.502 0.748 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](COC)[C@@H]2CCCO2)c1 789336190 VHHOXSBSYOXEBF-SJORKVTESA-N 442.538 0.855 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(F)cc1C 793038227 DREATFPHEHSZGT-UHFFFAOYSA-N 434.380 0.420 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 793296050 PXERZCSHOGSPID-UHFFFAOYSA-N 435.506 0.086 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)s1 794598640 KUAOYJCQRQEGAL-UHFFFAOYSA-N 432.549 0.557 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795324880 MBIVMRASHUJCOG-UHFFFAOYSA-N 444.469 0.078 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCS(=O)(=O)C1 800832411 QXUIOTIJTMNVDH-LURJTMIESA-N 432.705 0.242 50 20 ICGD C[C@@H](CC(=O)NNc1ccc(-n2ccnc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 804952728 RFRLBJDFUTWHDE-LBPRGKRZSA-N 426.462 0.623 50 20 ICGD O=C(COC(=O)c1ccoc1C1(O)CCOCC1)NNC(=O)[C@@H]1COc2ccccc2O1 815450096 NRVAACHMCNWPBA-INIZCTEOSA-N 446.412 0.422 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2F)n1 815692117 JOORKJAFCMXFCW-CYBMUJFWSA-N 440.439 0.568 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)cc(Br)c1F 815693463 YCBVQTLUSSSBSH-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 819659366 UZSLZLNJXWLNNF-BUXKBTBVSA-N 425.486 0.549 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 913156777 STYXKYPLUGRATM-MFKMUULPSA-N 434.312 0.788 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1Cl 916133501 UAIQRXVNKOXUOB-UHFFFAOYSA-N 438.897 0.455 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 918223489 IDOHTIXXSDQOIC-UHFFFAOYSA-N 448.501 0.701 50 20 ICGD C=C(Br)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921125752 GYGTVXFYMLUBQS-UHFFFAOYSA-N 447.311 0.560 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccc(Br)cc2)nn1)N[C@H]1CCS(=O)(=O)C1 1317993518 KXSSSOUHEKZDGS-JTQLQIEISA-N 443.283 0.161 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320565642 KYCOAJNLAVUCEN-CVEARBPZSA-N 444.529 0.784 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1 1346621445 VOTMHBDFTKBFOM-OAHLLOKOSA-N 435.502 0.803 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781542944 ALORXVSFJWQBIV-FQEVSTJZSA-N 449.464 0.117 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1781997992 MDDJRTUHSHAILA-IIDMSEBBSA-N 432.359 0.616 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878875 KHVMYJDARCZGRI-FRMGNDQPSA-N 447.919 0.980 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784512244 LNEVMLWDFWNXLZ-KKUMJFAQSA-N 432.615 0.724 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1785069260 ILXKGSRRILMFQU-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765886 WCANPWWHACQDKK-KKUMJFAQSA-N 432.615 0.724 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1789865815 DGMUYCNLMDILCL-IUVQAAGXSA-N 436.380 0.925 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925917 YWCXQQHOMAGSLB-ASHKBJFXSA-N 437.310 0.030 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1791257238 SYLSNBAQVXVRFE-SDPXSBNPSA-N 428.869 0.651 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791676595 OXAMCOXKFGEAFE-OQRYQMPQSA-N 440.305 0.432 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792138531 SAJFHKQSTXPEHV-GZERKGCBSA-N 440.504 0.794 50 20 ICGD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)ccc1[N+](=O)[O-] 1792979130 WPFRIHBXKIHCAW-ZFHGCVPZSA-N 441.868 0.335 50 20 ICGD CC(C)(C)OC(=O)NCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793635752 BPOBAQNXDCMLQM-JYYAWHABSA-N 447.960 0.871 50 20 ICGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)c2c1CCC2 1795114399 DQIOSVWAHNFSTE-DRXBFXEBSA-N 425.327 0.897 50 20 ICGD COc1cccc(OC)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188458 IYEARTWFWCAAMD-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD COCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1796439445 FATNVCLHZKONSF-AMFOTSNXSA-N 431.493 0.137 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799192724 KAEWYCBXAQEZIL-LVQVYYBASA-N 443.386 0.139 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1 1799854134 FALFOQREUGULTD-BJWYYQGGSA-N 427.509 0.283 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332157 BMDXVSCUPLDPIU-LKYACTAOSA-N 446.454 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)OC(C)(C)C 1801838340 YQXAXUUZRSQQDO-QDMKHBRRSA-N 425.530 0.522 50 20 ICGD CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802688731 FYUDOMLCETUFSQ-CRAIPNDOSA-N 435.488 0.949 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362013 YSCIQFZICRXRFA-OZOXKJRCSA-N 437.305 0.672 50 20 ICGD Cc1nc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)no1 1809968818 FWURQTOLJPXPPW-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1810295678 VEJVJCPBMCFWBF-UNQWWWNPSA-N 426.452 0.758 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1813029951 BMCBGLHAASLFBZ-DZKIICNBSA-N 448.844 0.066 50 20 ICGD COCCOCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071001 LXTRGHKRJYDXEM-DYESRHJHSA-N 435.525 0.123 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1814083598 ODVBMPBFDXRPQG-AUUYWEPGSA-N 436.472 0.379 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n(C)n1 1816444963 QBWQNAWACGYVKH-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD Nc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)s1 1817412908 ACBWFSUHXRJBRM-CQSZACIVSA-N 440.294 0.748 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)o1 1817475061 KFDLOTMJQLHNDX-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD Cc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087685 JJBOOYWVXWDUQV-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210976 YJBBIOISKGKTQC-CXAGYDPISA-N 433.292 0.454 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706207 PADYDALXHAPUSD-LJQANCHMSA-N 447.411 0.634 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800202 YSVBVZQRRWIUCC-HXUWFJFHSA-N 447.410 0.506 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1nccc2nc[nH]c12 1835026334 BBESOGQFSHLMAV-MRXNPFEDSA-N 434.928 0.743 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1836199820 FHPHIUPNERFVLZ-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836418945 IVEQICHAFAHABZ-BBRMVZONSA-N 448.245 0.253 50 20 ICGD COc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836715135 JYWFJUJPPFBKJN-OAHLLOKOSA-N 426.901 0.697 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460101 VCHKGXIBSOHYED-JOCHJYFZSA-N 445.520 0.502 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837805341 FXXNWZAJSBCKTD-SFHVURJKSA-N 431.961 0.571 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920746 AIDVXGGZUHRTSW-MRXNPFEDSA-N 444.337 0.594 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1838739517 WKFACMREJVPQJI-BBRMVZONSA-N 429.246 0.647 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032251 SKBLOLULNDKDRL-QFYYESIMSA-N 431.287 0.419 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840154231 QDIIWUAMUNQDSA-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)CC1 1840156821 VARSMDGEXYNRFY-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269818 CHEQXTOAYBHYEB-MBOZVWFJSA-N 428.602 0.845 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1840528947 AEAZXDIDRGIQCL-PMAPCBKXSA-N 444.337 0.263 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385157 XLVZVTIMMRFQQB-UHFFFAOYSA-N 429.521 0.592 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@](C)(O)C(F)(F)F 1847989658 BSWUVENSHSUXEG-IGQDJIGGSA-N 429.399 0.636 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1=O 18055504 COSHLYWZXHGYLK-CYBMUJFWSA-N 428.420 0.937 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731616814 CBDOYEUJBVUXQG-AEGPPILISA-N 426.495 0.220 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)cc(OC)c1OC 731679399 LNZKSLHKMGAXAT-UHFFFAOYSA-N 444.510 0.376 50 20 ICGD Cn1c(NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)nc2ccccc2c1=O 733261786 MLDFQIXHDVJFMD-OAQYLSRUSA-N 438.419 0.983 50 20 ICGD COCCN(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C 733932582 MZBJFCXKVDKYEO-UHFFFAOYSA-N 436.513 0.724 50 20 ICGD COC(=O)COc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 734517668 SOEPVEDICLPHPZ-UHFFFAOYSA-N 425.405 0.358 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)N[C@H]1CCN(CCN2CCOCC2)C1 734686763 UOPJBIZVRZYNRS-ZDUSSCGKSA-N 429.319 0.128 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1C 742033337 LTJVRHTTWWNDKS-CQSZACIVSA-N 437.522 0.547 50 20 ICGD COc1ccc(Br)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 747750655 CFVKOFAQWBMUIL-UHFFFAOYSA-N 442.295 0.493 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2c1=O 748007919 BFYONPNNJXFUSB-JOCHJYFZSA-N 448.439 0.546 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)CNC(=O)c1cccs1 751206054 AEMSHTKWCYIDCA-CQSZACIVSA-N 431.453 0.543 50 20 ICGD CNC(=O)Cn1nc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C 757823540 RPNVUEZRONQUBO-UHFFFAOYSA-N 442.524 0.303 50 20 ICGD COCCC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758826422 XJTSOPPWSSLQNW-UHFFFAOYSA-N 441.550 0.850 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccn1 763466683 LNJRYWJFUHNCRW-UHFFFAOYSA-N 433.490 0.819 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763851818 VRUWJSILSVEDQO-CYBMUJFWSA-N 446.435 0.846 50 20 ICGD CCCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)COCC)cc2Cl)CC1 764316853 GPFLMQSRCUTZFR-UHFFFAOYSA-N 425.917 0.994 50 20 ICGD CC[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725019 OKROYEKNIIRLOY-GFCCVEGCSA-N 448.867 0.092 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1sccc1NS(C)(=O)=O 767295122 WVBNTLSCYQOIRS-UHFFFAOYSA-N 425.488 0.975 50 20 ICGD C[C@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc2O1 767848691 DADZHZXBCDDVNG-NSHDSACASA-N 439.353 0.999 50 20 ICGD CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 771904642 LPIKBTFJJJKPFV-UHFFFAOYSA-N 437.526 0.737 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 775851883 VBCFBZYAEPGACG-HNNXBMFYSA-N 437.453 0.581 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 778438473 YMXAAXXAQVTXEV-UHFFFAOYSA-N 448.523 0.055 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCS(=O)(=O)C1 783425764 DEZYMIBYKZRHHE-FQEVSTJZSA-N 432.502 0.840 50 20 ICGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2=O)cc1 783426760 JZJDPOYJHSMPEU-HXUWFJFHSA-N 432.502 0.342 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)c1=O 785089990 KHVPXNMQHKJWFH-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 788177090 BFDVSOJFQGUIDS-UHFFFAOYSA-N 446.493 0.811 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(N)(=O)=O)c1 788232783 YJRKAMWDWWIWNZ-UHFFFAOYSA-N 428.492 0.016 50 20 ICGD O=C(NNC(=O)c1ccn(CC(F)F)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 789867697 WVEFUZHUQGJKQF-UHFFFAOYSA-N 443.432 0.244 50 20 ICGD COc1ccc([C@H](C)C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 794489129 WPOFOUOSUOQTNJ-LLVKDONJSA-N 435.506 0.884 50 20 ICGD CCc1occc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 797742427 HWERRHSLJFOIBT-UHFFFAOYSA-N 434.518 0.918 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 808011535 XHFBJVVUNXMSPG-WMQDPJMESA-N 435.481 0.697 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810386249 RLKIAXHPVKMRDX-GFCCVEGCSA-N 437.391 0.831 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2ncncc2F)c1 815765535 VCLQQWGFGJRVPI-UHFFFAOYSA-N 440.457 0.737 50 20 ICGD Cc1nnc(NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)nc1O 817284213 MQLQSAWSLKSRGP-UHFFFAOYSA-N 431.272 0.460 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912924632 DLIAJFJBQZLNPP-HZPDHXFCSA-N 426.539 0.228 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n[nH]2)cc1 917178401 KMNOFOQRLUOOOB-UHFFFAOYSA-N 433.428 0.406 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 917737773 OIEFFHCLNCXAOX-UHFFFAOYSA-N 441.462 0.737 50 20 ICGD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889900 WLBMAEIKXCBREI-ZDUSSCGKSA-N 428.470 0.672 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)ccc1Cl 919955193 BXVLFGOXFNQFOU-UHFFFAOYSA-N 429.867 0.487 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 920213263 RNACFIGBNRIWMM-UHFFFAOYSA-N 448.501 0.712 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)N[C@@H]1CCS(=O)(=O)C1 1324095364 OCHOIYRKGDIPDL-LLVKDONJSA-N 448.954 0.771 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1341170781 YHKSEIICPXWKSH-UHFFFAOYSA-N 435.506 0.746 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccoc3Cl)C2)C1 1780455468 LSCKALQCEJYTCP-IBGZPJMESA-N 433.852 0.689 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781223937 FRBLYPIIVUOAFQ-HZPDHXFCSA-N 427.350 0.959 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781929994 QKWZVROSXOSMEM-NRFANRHFSA-N 446.215 0.108 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)n1cnnn1 1782605049 WDEFDVUPTFIZRF-MCYUEQNJSA-N 433.282 0.439 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)c2cccn2C)C1 1782616727 KHJXUNVXPVRKNN-YYFZDKIDSA-N 425.913 0.976 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783353878 RATPTMVLFRJULS-MDZRGWNJSA-N 445.402 0.626 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccccc4)CC3)[C@H]2C1 1783569240 YGLLPMRPUZFMIO-NYVOZVTQSA-N 448.328 0.692 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)o1 1786986674 XJZAIVBPYDKGHQ-VDGAXYAQSA-N 426.278 0.104 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787083297 ROGCWIQMZWOPBZ-YXWQFLTLSA-N 427.885 0.243 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c[nH]nc4c3)[C@H]2C1 1787319511 KWSOVAKWZBSEHX-LNLFQRSKSA-N 442.520 0.529 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787499918 FNJHMDCQZUCCBF-PMMQCXHCSA-N 430.958 0.786 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21 1788611233 PSTUPPLOSSTSSB-JQFCIGGWSA-N 442.451 0.126 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1791255040 AYUXBCRUQSSXNN-AYDFFVQHSA-N 440.928 0.772 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1793448374 ANIGFIFEQMMBFU-ZHCJQAHYSA-N 432.901 0.478 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275537 JPFUKUICGOWEOW-CUCMZJRUSA-N 447.495 0.762 50 20 ICGD N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cccnc1 1795679669 MPDZAKUFYKSLMU-RHBQXOTJSA-N 429.290 0.752 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)[C@@H](F)Cl 1796361665 MNHYEYIFLBSLSE-IJPSMNBWSA-N 428.848 0.117 50 20 ICGD Cc1cccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)[nH]c12 1797372372 PLIFBSDZWNUDNY-OPMZPASUSA-N 447.300 0.673 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1ccccc1=O 1798605002 QAWFWMLVMRINML-LVQVYYBASA-N 438.488 0.360 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1800640270 OJJGIOQWRAVBNW-GFQSEFKGSA-N 425.345 0.184 50 20 ICGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012918 FAZUMSSDEHVTFE-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016780 QAUGKMAOCISXJN-FMSGJZPZSA-N 429.304 0.593 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805515159 MBVKMTOJGYNVOU-HUUCEWRRSA-N 447.960 0.703 50 20 ICGD COCC(=O)NC[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1806490250 VEXQJJNCVKRJHW-RIDCJQHESA-N 426.477 0.868 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374929 PIYPOWPQBRZTIU-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@H]2c2cccnc2)c(=O)nc1O 1814038996 KCGQIPUQOIQYFS-CWRNSKLLSA-N 437.859 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3csc(N)n3)sc2C1 1815134464 PGDLWBYFOWVUEZ-VIFPVBQESA-N 437.551 0.781 50 20 ICGD Cn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cc1O 1816122346 HWTVJZPFRHAGHX-INIZCTEOSA-N 438.253 0.148 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825998012 BQTDPEQJYGHRGT-STQMWFEESA-N 437.714 0.303 50 20 ICGD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)no1 1826080509 OQTWRHBYURWLMP-NSHDSACASA-N 435.510 0.362 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050790 YNGGPXZGWGOYIN-DNVCBOLYSA-N 429.326 0.111 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830357571 GZUUMWSFRWDXMA-LJQANCHMSA-N 427.885 0.828 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830538801 QMHBJSCOBOPALF-GUYCJALGSA-N 429.315 0.440 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833008073 QIQQZNUBPODSDO-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833456364 RJZMFDNDEROFSH-INIZCTEOSA-N 437.990 0.247 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835139623 RMXQXMVCLRPTRP-QFBILLFUSA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837123748 ASSJTTHKXBLMHB-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)N1C[C@H]2C[C@H]2C1 1837281752 HCLAMZUZCPAMEO-OAFZBRQQSA-N 444.370 0.568 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1C[C@@H]2C[C@H]2C1 1837287291 RASSPTZXPANBAR-WKRCXCSHSA-N 439.629 0.635 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccccn3)CC2)CC1 1837415514 SGQRFPLARLSCLH-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837646019 LBIMKCMCISPLRE-VQIMIIECSA-N 439.589 0.222 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840150972 UWIAIPNEUXOBCV-LPHOPBHVSA-N 427.885 0.171 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840155799 ICQDEULKKHZAGY-OXJNMPFZSA-N 426.897 0.645 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187120 WMSVQRNNZOHUKJ-QGZVFWFLSA-N 425.309 0.978 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1)NC(=O)OC(C)(C)C 1841354391 WMIWJAXSBDMRNG-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841514476 NTZJUSWUYIIZPD-CQSZACIVSA-N 433.933 0.721 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cccnn2)C1)NC(=O)NCc1ccccc1 1844438305 KMPWOHVQPVVSEH-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 28662779 YHXFFGRUEPKMII-UHFFFAOYSA-N 433.446 0.215 50 20 ICGD CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 726277888 GYAFGMKQYMKRCB-HNNXBMFYSA-N 434.516 0.981 50 20 ICGD Cc1nn(C(F)F)c(C)c1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728334164 WREHCPGYDUPRRA-HNNXBMFYSA-N 438.387 0.968 50 20 ICGD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854340 RRMGMLGKGHTRJC-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733123287 XXUVLYSGEILGOX-UHFFFAOYSA-N 449.514 0.746 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccnc(N(C)C)n3)c2)CC1 740105157 ZYHHUWQKFVFJOS-UHFFFAOYSA-N 447.521 0.152 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)c3cccc(Cl)c3)CC2)cn1 741278954 WUSQWRKUGQMLMD-UHFFFAOYSA-N 440.913 0.871 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCNC(=O)c2ccc(F)cc2)cc1 743598182 JCABETBCMWCUBS-UHFFFAOYSA-N 437.453 0.995 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOc2ccc(C#N)cc2)cc1 745867351 QIJLISMNIJQOIE-UHFFFAOYSA-N 445.501 0.897 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CSc3cccc[n+]3[O-])cc2)CC1 748620877 UTOGHRIXOVIESX-UHFFFAOYSA-N 437.547 0.492 50 20 ICGD CC(=O)[C@@H]1CC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)=NN1c1ccccc1 750862559 BTWDRPCVVUAFNN-SFHVURJKSA-N 432.440 0.918 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 751208519 FUWYHAPLRDOIKS-UHFFFAOYSA-N 444.513 0.943 50 20 ICGD Cn1c(NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O 752908537 ATCMRWQQJIAHDF-UHFFFAOYSA-N 443.485 0.711 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755289709 RYLXCZLRGMLUCA-KRWDZBQOSA-N 433.490 0.546 50 20 ICGD CCOc1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OCC 755535520 PNONKOIOXAQONM-JTQLQIEISA-N 430.439 0.980 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(S(C)(=O)=O)c2)c1 755555842 AJGBSNQBQWPGRQ-UHFFFAOYSA-N 440.503 0.807 50 20 ICGD NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 756784682 WUULVDRETYUFKH-HNNXBMFYSA-N 442.428 0.389 50 20 ICGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)CC2 757778596 WGQQKSLQXLXMLA-GFCCVEGCSA-N 426.437 0.275 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761267818 VCAJNWAYJGUGQS-GFCCVEGCSA-N 441.448 0.713 50 20 ICGD CCn1nc(C)c(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1C 763529473 CIBWQJHIOCREQL-UHFFFAOYSA-N 441.536 0.818 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)c1 763772332 PTPJRXMFVDQXCY-UHFFFAOYSA-N 442.472 0.936 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763805884 XEITWKDDXJKJIS-UHFFFAOYSA-N 449.807 0.773 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 764002888 VMCVXXMYNXESNL-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)c2)n1C 764006272 NRGVUZPLKWXHAN-UHFFFAOYSA-N 436.428 0.961 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(OCCN(C)C)c1 764275771 UGYVFRQRAGGPEO-UHFFFAOYSA-N 430.461 0.806 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764277283 AVAGXKCEXCDSTH-UHFFFAOYSA-N 446.485 0.651 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764278397 YBNSPNOJVDCEEP-UHFFFAOYSA-N 428.445 0.943 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(Cl)cc1I 764285533 FXQVPMGCCUODCF-UHFFFAOYSA-N 447.620 0.996 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 764622390 XIBPSAARVSCHET-UHFFFAOYSA-N 449.441 0.935 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765755396 GVBPSZNHIMIMSA-UHFFFAOYSA-N 447.923 0.936 50 20 ICGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nn1 768475759 BSUAIHHBKRYHSJ-UHFFFAOYSA-N 431.416 0.828 50 20 ICGD Cn1c(=O)c2c(ncn2CCOC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n(C)c1=O 769983770 XJKDOPSHJVVFNT-WVQJBOLRSA-N 425.283 0.931 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2nc(O)c3cnn(C)c3n2)s1 770969927 VQWZXAJDXPBGOH-LLVKDONJSA-N 437.507 0.735 50 20 ICGD Cn1ccnc1CN1CCC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 772896642 ANSACBWOLTWNKC-UHFFFAOYSA-N 432.912 0.749 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 773262375 ACHFZUIBTGZILR-JTQLQIEISA-N 433.895 0.764 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776052525 AMVHNZFIBVGVBG-OAHLLOKOSA-N 429.462 0.895 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H](C)O1 776102077 LBTIIRMLVNBCCB-GJZGRUSLSA-N 435.481 0.692 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@H]1OC 776531617 NAMJCTSKYDPMBL-ZMSDIMECSA-N 428.511 0.138 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]1OC 776533217 ZVYHUNGRAWUHKV-BRWVUGGUSA-N 440.522 0.608 50 20 ICGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 777230322 AXLSWZMQKOLPPN-UHFFFAOYSA-N 445.480 0.839 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 779830474 ULAYCVXJJCUJHF-UHFFFAOYSA-N 426.524 0.444 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 781965605 VPVQGKDJZZKYBY-RDJZCZTQSA-N 448.888 0.797 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cn(C)nn2)cc1 783619388 WLPLTBZASGNYMP-DHDCSXOGSA-N 434.460 0.786 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 786724029 UGHKJLLVEVBIOT-ZJUUUORDSA-N 443.931 0.001 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1C(=O)N1CCCCC1 787560020 JZJVHDILGCDHCR-FQEVSTJZSA-N 436.534 0.758 50 20 ICGD COCCn1cc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 788917847 WNVJBDHLRSODMS-UHFFFAOYSA-N 446.530 0.327 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)c3cc(F)ccc3S2(=O)=O)cc1OC 799911391 DCSCFUXSGQCTGT-UHFFFAOYSA-N 437.405 0.449 50 20 ICGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1nn(-c2ccccc2)cc1O 805844514 KIUBYJYBEQBXFX-AWEZNQCLSA-N 442.398 0.785 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 806564642 SMKYCIAMVHRNJI-JTQLQIEISA-N 427.361 0.361 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cn2)CC1 815573523 MKXPHLDYAHNARU-UHFFFAOYSA-N 443.420 0.960 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155988 NRCRHMCTPISUKX-QGZVFWFLSA-N 439.501 0.975 50 20 ICGD COc1cc(C(=O)NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1OC 915807103 NSATXWAMWALQAZ-UHFFFAOYSA-N 447.469 0.960 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(C(N)=O)cc2)c1 920501616 IXMXQYRGMOAPNK-UHFFFAOYSA-N 448.501 0.656 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 921238969 RARKTTHCWISRDO-CYBMUJFWSA-N 434.474 0.498 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527908 AEGPOKIINSBQLO-IRXDYDNUSA-N 431.276 0.855 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n[nH]1 1782215165 VDHMTCDRXLPTTO-DYESRHJHSA-N 434.541 0.148 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783352470 GPAJHMNNLQIKIH-XHDPSFHLSA-N 432.344 0.900 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1783937007 CSYMJTBWHORGSV-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785496353 ISQWVCYZDQMIHN-AHBLATNWSA-N 431.493 0.377 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1786551679 ZJGWSXVXIPEZJF-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21)[C@@H](F)Br 1789927082 PRJZWIOHDJNEIO-LOHUMSBYSA-N 430.274 1.000 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793102168 AWZAUNPHGFOLFK-FAQVEIGNSA-N 433.553 0.527 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1ccc(-n2c(O)nnc2O)cc1 1793113421 IOFZUHKUIJVNMW-ATGSNQNLSA-N 435.868 0.530 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1796441680 PHTPWOGDSREQHK-IRLPRSGCSA-N 448.483 0.895 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799154591 ZYXAVSSLLDIPLL-DWTVNWJMSA-N 427.929 0.231 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800158508 OFYJBIKVHUPNGF-ITGHMWBKSA-N 437.262 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3C1)C2 1801012583 AZAJFGXDOVVKDN-ISHFTEKXSA-N 442.560 0.754 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803142994 QDWMAMPZPPYZAI-IJEWVQPXSA-N 427.958 0.171 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccn(C)n2)[C@H]1c1cccnc1 1805735118 ZTLHPDXYVFXISG-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1806135277 CLGZMWKDBBDFPD-HRAATJIYSA-N 441.488 0.727 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806852765 PNFRLQATPCMTTK-STQMWFEESA-N 443.342 0.989 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806853684 XHHPZGYCXCAQAG-NWDGAFQWSA-N 429.315 0.599 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363354 ZUNVYXNOSDVIPI-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1810298630 KUTNIMDEBOEZOH-OXJNMPFZSA-N 448.487 0.296 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811458503 DOYJLLQJQXLFKN-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1815770321 GDHLITXTHAWHPQ-SBMIAAHKSA-N 445.249 0.690 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817475208 LDYVJHQBUYAUDN-INIZCTEOSA-N 440.265 0.349 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccon1)CC2 1819795571 OOOUAGYLDQUHAW-SECBINFHSA-N 427.446 0.669 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1822367681 BHJPTMPTNDEZGZ-SMDDNHRTSA-N 449.899 0.909 50 20 ICGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](F)Br)sc3C2)CC1 1823008589 VGZGTLYRPSEICU-YGRLFVJLSA-N 448.362 0.993 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824437271 QCMSAGMPZNIOIS-KRWDZBQOSA-N 430.509 0.055 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1825999394 QXJHCNWNMKLGPE-IUCAKERBSA-N 440.846 0.034 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2)n1cnnn1 1826986519 FGAUWPGHUKPAMR-FWWHASMVSA-N 432.279 0.993 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056597 MWQCLVGZYHMCBO-UXHICEINSA-N 441.337 0.221 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896508 KUTMIHDRTXCIHF-KBXCAEBGSA-N 432.359 0.568 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1830358375 UTXCZLDLTSLWBP-HXUWFJFHSA-N 425.913 0.570 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1830370808 YVRSAFRBIBGFSN-RBUKOAKNSA-N 434.917 0.324 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728247 QQDSQKUPDJUNQK-OXJNMPFZSA-N 440.880 0.341 50 20 ICGD Cc1ccn2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1830736117 RLGOTIGPEVARQD-OXJNMPFZSA-N 436.896 0.312 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831340143 BEBSCYVQCPUKEM-HZPDHXFCSA-N 445.365 0.114 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831651193 RIXCFVOZONPKES-SNPRPXQTSA-N 431.375 0.982 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1)[C@@H](O)CCl 1833310653 YEMPXEMGZOHUDY-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)c(C)n3)CCO2)C1 1833466153 FANBXIVUEVRGIU-LIRRHRJNSA-N 429.876 0.853 50 20 ICGD CC(C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833673338 OQHKSSOWJPHSLI-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440365 NKIKTXSVDQBWPX-CXAGYDPISA-N 429.315 0.521 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800399 GBMZBGNWXQWYFW-FCHUYYIVSA-N 439.365 0.598 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1834823487 XAZSNQHUJUPSSK-GOSISDBHSA-N 441.326 0.684 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)C1=O 1837137853 IWSVYZKYOPFOGM-HNAYVOBHSA-N 439.827 0.426 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837242062 BQCAQTDBUIGBIJ-HGRMPGJJSA-N 443.393 0.838 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459637 UHHXWJPNCCPZKV-XCGNWRKASA-N 445.520 0.191 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710239 QDMRSZBEUKKHMG-FXAWDEMLSA-N 438.601 0.827 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805081 GTPCVCSTFPPYJX-IRXDYDNUSA-N 436.292 0.473 50 20 ICGD CCSc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838846430 UNPQQRDJPHFMPS-IFXJQAMLSA-N 443.953 0.863 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839143845 JAPAKJPFCKJXJZ-IFXJQAMLSA-N 427.885 0.483 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839178388 ZUFIXDJUCAPIRS-HAOIVFDCSA-N 442.321 0.183 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199313 NCGMVOPLWNYEGT-NVXWUHKLSA-N 445.289 0.556 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)ccn1 1839200341 IVUSFCLLIWDORG-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839666862 JMELHONIIYSXES-ZBQZNYHESA-N 442.875 0.191 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840030549 PDZHHOIBWSCEAQ-DAYGRLMNSA-N 432.359 0.711 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840030865 YYFCVDYVDNUSQS-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036096 DYHILYCFIHENJB-PMUMKWKESA-N 443.342 0.992 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014667 MCLFSISDCSJXLO-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)[C@@H](F)Cl)C4)csc2n(C)c1=O 1845014006 KJBPNSGKDZQOQR-CYBMUJFWSA-N 442.900 0.579 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 11106622 KXWAPCKMSDFQNM-UHFFFAOYSA-N 425.850 0.866 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(=O)n(CCOC)n2)c2ccccc2c1=O 24400722 NIXUMZMUNFDGQF-UHFFFAOYSA-N 426.433 0.084 50 20 ICGD COCCCN1CCC(NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 727031429 SBWSMFWGOFXSDR-UHFFFAOYSA-N 440.570 0.733 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)n1 731118467 RFLJEEHUWAWPBG-LJQANCHMSA-N 441.536 0.728 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2ccccc2OC)c1 731500979 WHHANHHVHDNXGM-LBPRGKRZSA-N 449.489 0.575 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H](C)O1 732262430 SNDZJPYSYJODDX-HUUCEWRRSA-N 426.539 0.039 50 20 ICGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 734216042 IVXBRMKLAMVGMD-MRXNPFEDSA-N 437.522 0.424 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1OC 734685403 DBWKRVSOOYIJHZ-GOSISDBHSA-N 449.552 0.835 50 20 ICGD O=C(COC(=O)CN1CCN(c2ccccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 741037746 LYNCGQFSANFFOA-UHFFFAOYSA-N 442.432 0.116 50 20 ICGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 743284652 FQBGMJMTZBFUQK-GDBMZVCRSA-N 425.507 0.816 50 20 ICGD CCc1cnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 745905100 UCUFVCCZXKZOGJ-UHFFFAOYSA-N 439.567 0.863 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 748466806 MIUNGYVKDIVOSB-UHFFFAOYSA-N 441.448 0.673 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 755354874 UYDOADIFTWZCIJ-UHFFFAOYSA-N 436.494 0.374 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 755872412 IJDKAGCIJOXRFL-UHFFFAOYSA-N 436.538 0.800 50 20 ICGD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccccn1 758524602 WVIHKWFWKBWWHZ-ZDUSSCGKSA-N 445.339 0.257 50 20 ICGD O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NNC(=O)C(=O)Nc1ccccn1 758773790 GNXPAFOJTQUAAS-UHFFFAOYSA-N 445.524 0.075 50 20 ICGD Cc1c(I)cccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 760445896 BUJBFWDZEPXNDR-SECBINFHSA-N 437.259 0.731 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNc1nccc(N2CCOCC2)n1 762852009 RZDJGOLUYJWIBJ-UHFFFAOYSA-N 431.844 0.708 50 20 ICGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763510129 ZVBRKTWLIPDAHJ-UHFFFAOYSA-N 448.505 0.167 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763573583 TURHABJXFSQUQI-INIZCTEOSA-N 428.401 0.815 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2OC)c2ccccc2O1 763646327 FVNNKQLFHMIVML-KRWDZBQOSA-N 443.412 0.189 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763812103 CLYCIDWKLJXCKI-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C(N)=O 763850700 OWUHSEDIMKQDJS-GFCCVEGCSA-N 429.433 0.359 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)cc1OC 763910885 GBAPRUIZQHBBRA-UHFFFAOYSA-N 444.444 0.991 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2NC1=O 763995066 LKCNJZRVHSVUMR-SSDOTTSWSA-N 436.222 0.896 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)n[nH]1 764109988 USUXMGQXFVBPHP-UHFFFAOYSA-N 441.492 0.932 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1 764131582 LCIMCOIMVBZNRF-UHFFFAOYSA-N 441.488 0.914 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764278068 QKYMXJNKXMRPGR-UHFFFAOYSA-N 428.445 0.702 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)c(F)c1 764279718 DJSKEYJGHVIBSW-UHFFFAOYSA-N 439.197 0.792 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 764317024 ICIFNCLTNVDQMG-UHFFFAOYSA-N 434.902 0.493 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 764349422 NWIBCPXYXQPWGH-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 764424968 LJYWXKIYONAKET-CQSZACIVSA-N 428.898 0.395 50 20 ICGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 765026649 VIHKXBJXBUEZJP-UHFFFAOYSA-N 443.489 0.200 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766642205 OKDFNBQNECTULY-IBGZPJMESA-N 447.605 0.962 50 20 ICGD CC(C)C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645748 WAPJOBLOELWWJD-OAHLLOKOSA-N 426.477 0.411 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3cccc(OCCN4CCOCC4)c3)nc21 770358504 BFFLKILVTDMHHL-UHFFFAOYSA-N 442.480 0.606 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778441241 QHDJLMJIYRMBTE-UHFFFAOYSA-N 442.494 0.230 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778578244 GAUXLVTWZKYMQI-UHFFFAOYSA-N 429.499 0.091 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)nn1-c1cccc(F)c1 784004710 PVBVDWRHZACSTL-UHFFFAOYSA-N 428.380 0.429 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)c2)CC1 785067774 MXCBOJQTLKFJJA-UHFFFAOYSA-N 449.515 0.805 50 20 ICGD NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 795663887 YRTDNQGAAXDZDM-UHFFFAOYSA-N 440.865 0.675 50 20 ICGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)C1CCN(c2ncccn2)CC1 805067894 HVQKCLUGPCUIOO-AWEZNQCLSA-N 445.446 0.287 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 806970679 MOIFHRIYAFTPOM-UHFFFAOYSA-N 444.517 0.696 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 808011356 UHFKDFMTYYUEPA-LLVKDONJSA-N 446.464 0.442 50 20 ICGD Cc1sc2nc(CC(=O)NN=Cc3nccn3S(=O)(=O)N(C)C)nc(O)c2c1C 814742556 VVNULONDBFMYDK-UHFFFAOYSA-N 437.507 0.558 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1nc(Cc2ccccc2)cs1 815692706 YWABOYBIWJWPMH-CYBMUJFWSA-N 425.474 0.674 50 20 ICGD NC(=O)c1ccc(CSc2ncccc2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 917941576 YHQQNKNWXXFFMJ-CQSZACIVSA-N 448.526 0.669 50 20 ICGD O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883499 AYDQLCQIFVXBTR-ZDUSSCGKSA-N 425.442 0.716 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 919917024 ZRQSGBGPLPEKQR-UHFFFAOYSA-N 426.408 0.447 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1779028434 LNSBHMKCPUIBJJ-MRXNPFEDSA-N 433.362 0.029 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1780736321 CDDHXYKKXNVTTC-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780953325 YWURXAFSLLGEOV-DOTOQJQBSA-N 440.273 0.792 50 20 ICGD CO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967931 DUYKOVFNHUVKPK-JTSKRJEESA-N 447.536 0.197 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783406935 HZZHIWYWTLVCSU-SQJMNOBHSA-N 448.328 0.615 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784312286 PESXQFDSLUODNQ-KSWRQPAISA-N 431.961 0.771 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)nc1 1785711442 QVWPEZSEIBTIAK-HQRZJTNHSA-N 433.889 0.613 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788565110 WMDMSNHDBWCBJQ-VGWMRTNUSA-N 428.606 0.525 50 20 ICGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792869921 DHYRWOCQDAWORS-FMSGJZPZSA-N 429.315 0.663 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1792870655 HRHDOOFIQJACAJ-QKDZRIPBSA-N 440.342 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2)[C@H](O)CCl 1792974999 GKUIEBGEMUWFQR-YALNPMBYSA-N 431.880 0.342 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)C(C)(C)O 1793117459 MJLMOLJPANLJTQ-AIEDFZFUSA-N 447.960 0.889 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1793450012 XWIBHSOCIXLOER-UMPJEAMMSA-N 437.928 0.627 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1)C2 1797750690 ORKHPIVQBVSHPW-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347868 VURPPUCGHPIYAK-ZMJPVWNMSA-N 433.278 0.423 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CCC2 1800049723 JKNHVVARZXWSGK-MCYUEQNJSA-N 425.327 0.895 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800145802 BAVXRFAAQGUPCX-XGUBFFRZSA-N 433.933 0.766 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800642920 CBXHESCJNCYMQM-OPDFLTKYSA-N 435.388 0.234 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803146398 NZTXAEHDSUDJNA-MCPREKNCSA-N 427.885 0.303 50 20 ICGD Cn1cccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805351195 MSJHLSKWABFMGT-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373230 PQVOUTYTYIXFMT-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808682247 IOYODCFQYSQJQG-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD N=C(N)SCCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976785 PFYASHIZGXEKRE-UHFFFAOYSA-N 432.355 0.228 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cnn4ncccc34)C2)CC1 1810750553 GLRCBFKBEUJITB-UHFFFAOYSA-N 441.536 0.947 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814864808 TUTRJWQDTPRIOB-RTXFEEFZSA-N 435.934 0.329 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC=CO1)CC2)c1ccc(B(O)O)cc1 1815344263 QMTMWIIBVNANST-GOEBONIOSA-N 427.291 0.741 50 20 ICGD O=C(/C=C/c1cnccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361989 XLNYFCFMQRYKBU-KEDPEKRHSA-N 449.301 0.552 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822367240 JRBXULBTBLOBPA-WCQGTBRESA-N 426.861 0.254 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)[nH]n1 1822412760 SIXDEVVIXMENER-ZFWWWQNUSA-N 433.513 0.301 50 20 ICGD COC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085519 YCDJBHMHJPGGIV-LLVKDONJSA-N 425.511 0.381 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827051364 VJZSMWLKDNFBSK-GOSISDBHSA-N 425.298 0.042 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829813014 SPVKPOWZCIOOQE-SIIHOXLZSA-N 445.310 0.800 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2c1 1830727820 GVTRNBZVWRVHJX-XLIONFOSSA-N 436.896 0.312 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736912 NHCRTNDJEBMXRS-YVEFUNNKSA-N 443.298 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCS(C)(=O)=O)CC1 1831876917 MGKZUCNFUNQCJA-QGZVFWFLSA-N 444.598 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833023700 SJWGVTVUBRFJCN-RDTXWAMCSA-N 446.957 0.489 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834131318 ZXPNSIBPRUNPPY-SUMWQHHRSA-N 446.273 0.851 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cn2ncccc2n1 1835392329 LGSKVIVUTMDQFA-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837454583 FABZQGKYFOCTOH-IFXJQAMLSA-N 443.884 0.562 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1837715592 ZBJRYNZBSDJPLL-PXDRNWIDSA-N 439.585 0.129 50 20 ICGD CSc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1O 1838562396 DQOWRUMHBKJUMB-LIRRHRJNSA-N 444.937 0.784 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107175 FIRJUXQMJLMJLG-XLIONFOSSA-N 442.988 0.240 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839143359 UNDBJZZRLPESCT-IFXJQAMLSA-N 426.901 0.474 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200461 LHRLPZLVTCNFLP-UKRRQHHQSA-N 441.370 0.985 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840035700 AUNMUDBZLBIQEC-UGSOOPFHSA-N 449.342 0.816 50 20 ICGD COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844263478 JJPIBWKKDKMHSN-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD COc1cc(OC)cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844264835 MICWQWKFTQDGJZ-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD O=C(CCBr)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824161 JRBNVFJTMOLASB-UHFFFAOYSA-N 427.255 0.745 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1 24932594 AYXQNPLXYOGROK-UHFFFAOYSA-N 428.474 0.652 50 20 ICGD COc1ccccc1[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1nccn1C 725872706 RAADBKFWWGURQO-KRWDZBQOSA-N 426.433 0.872 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)o1 728210118 SIRJNAAHPMOUBW-UHFFFAOYSA-N 428.492 0.728 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728959965 TWZMFTGUVQZSCP-UHFFFAOYSA-N 441.492 0.462 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 732264337 SUNJNZGYPVKCIV-ZNMIVQPWSA-N 442.538 0.009 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 740812579 PLNBDSOEOFZLFD-UHFFFAOYSA-N 436.284 0.762 50 20 ICGD O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NNC(=O)C(=O)N1CCCC1 741417066 SXMNGDGLTJJKHU-UHFFFAOYSA-N 436.270 0.687 50 20 ICGD COc1cc(NS(=O)(=O)c2cc(C(=O)NNC(=O)CO)ccc2OC)cc(OC)c1 753443007 QYZKRHGICWIUJK-UHFFFAOYSA-N 439.446 0.267 50 20 ICGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753967738 OWQBXZATEIIXCP-GDBMZVCRSA-N 440.522 0.609 50 20 ICGD O=C(NNc1ccc(-c2ccccc2)nn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 754469741 HMTCVMACIPLRKO-AWEZNQCLSA-N 428.474 0.752 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756433621 FJSNEJNKPYKCJT-JTQLQIEISA-N 433.918 0.911 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 756740414 VWZMCHYGTZRINN-HNNXBMFYSA-N 436.494 0.779 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 758031612 WZSMJDOPWQIBKD-STQMWFEESA-N 434.559 0.745 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 763509211 OELOIUUQZIDGHK-UHFFFAOYSA-N 443.485 0.988 50 20 ICGD C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570184 DAOZOCRHYIUAFY-QGZVFWFLSA-N 439.428 0.920 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C 763802788 GXLXPFUPQKQZAJ-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1S(N)(=O)=O 763842659 HPTJZBDQYFSHCG-UHFFFAOYSA-N 438.437 0.200 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2NC1=O 764006050 JFSCYYKXQKZIHM-SNVBAGLBSA-N 426.385 0.577 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c2)CC1 764198022 KCAYUVFBQWJJFY-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1)N1CCOCC1 764275728 SECIVQXEMHKNAP-HNNXBMFYSA-N 442.472 0.950 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765617647 UUMGVWKMMPSYAA-SRABZTEZSA-N 427.392 0.139 50 20 ICGD Cc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 765729670 XJPCRBNLOYJWNU-UHFFFAOYSA-N 432.868 0.176 50 20 ICGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739339 UJAOKGMHRMLZQV-HNNXBMFYSA-N 427.461 0.003 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCSc3nnnn3C)n[nH]2)cc1OC 768279805 ULWKFNOMPMJVQV-UHFFFAOYSA-N 432.466 0.561 50 20 ICGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C 768495384 DVGNHEUKUHCYFD-UHFFFAOYSA-N 433.450 0.407 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 769233560 ZBXGLKGJWZCFHH-UHFFFAOYSA-N 449.489 0.853 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770773783 HDTSRXRMXQZSSR-SNVBAGLBSA-N 437.428 0.892 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)nc21 770967235 DMIXBQNGXZVWMH-UHFFFAOYSA-N 431.478 0.586 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc21 770974253 SSVBWZYVVOHHDS-NSHDSACASA-N 449.468 0.752 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)nc21 770974627 NJNDBGOMJAHUMJ-UHFFFAOYSA-N 425.453 0.036 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)s1 772195731 PEDVUDFCBGVCKK-UHFFFAOYSA-N 430.895 0.055 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 775255506 QZDWRIGOYMRZLM-UHFFFAOYSA-N 443.503 0.577 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COCc2ccccc2)CC1 776915946 CBPQDPQXPNHYSA-UHFFFAOYSA-N 426.539 0.984 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 779548978 ZANUMKWWVHAYGD-GJZGRUSLSA-N 448.888 0.808 50 20 ICGD COC(=O)CNC(=O)NN=C(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 779823843 UDWKQZAROUVFJU-UHFFFAOYSA-N 440.478 0.368 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2cc(F)cc(OC)c2)cc1 785237224 LQSAXTOVEXHJBM-UHFFFAOYSA-N 432.408 0.748 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)n2)CC1 787540700 DIPFKYHCOYQXCE-MRXNPFEDSA-N 428.449 0.076 50 20 ICGD CN(NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788918633 YLGQSGCCVATAEC-UHFFFAOYSA-N 436.922 0.871 50 20 ICGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 792013145 TXKQNCXOAOFTCQ-HSZRJFAPSA-N 441.532 0.267 50 20 ICGD CN(C)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C(F)(F)F)c1 794488159 JOLXHERTRGSMCC-UHFFFAOYSA-N 444.439 0.806 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C(F)(F)F 797369274 RQPWEBJMTYSNPL-UHFFFAOYSA-N 442.354 0.451 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNc1ncncc1F 814489532 PAGSLTNEGLZGDL-UHFFFAOYSA-N 426.430 0.794 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814638721 VGBIEIBYZQVHFI-GFCCVEGCSA-N 435.510 0.770 50 20 ICGD O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816828832 RDXWXCUEIMHDON-KZNAEPCWSA-N 435.440 0.108 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 916238021 UJFRSTMIIYGBRX-ZDUSSCGKSA-N 428.511 0.607 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 917720671 YLEONQHVGKTAOB-UHFFFAOYSA-N 427.504 0.877 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cc(Br)cn2)cc1OC 919478458 IISRJFPELFLWQI-UHFFFAOYSA-N 441.238 0.667 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 1324133174 JVJNWEPZSHKCTR-ZDUSSCGKSA-N 434.559 0.745 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1324174318 KDYYVNOJRSVTRJ-OAHLLOKOSA-N 432.502 0.953 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccncc3Cl)CCO2)C1 1779031492 AVWFJHFZLIMAOT-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779539879 OMYDGQPUBDPUKE-CRAIPNDOSA-N 434.631 0.787 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc1)C2 1782172859 OWJHPNBCJGJWDA-BMQTXXJKSA-N 438.956 0.719 50 20 ICGD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1783143747 BWLAADBRGDDAHL-HXUWFJFHSA-N 448.432 0.100 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1783295305 CLVQYUGESUQPNF-XMMPIXPASA-N 436.317 0.751 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1784615073 FSHFWJMRGYUNCW-VGWMRTNUSA-N 425.913 0.689 50 20 ICGD O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787434266 HQKCQXZGSYUSTL-DCAQKATOSA-N 427.242 0.861 50 20 ICGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788494243 RJUAGRDCYRSORK-MJVUOBLBSA-N 428.327 0.586 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C[C@@H]21 1791257440 GPOCGBJELXLSGX-QQCJEOGWSA-N 442.940 0.975 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794079063 KTPCTBKHMUPZEU-BJESRGMDSA-N 447.344 0.675 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc2c1OCCO2 1796191056 UAQUNBGDWNLMHQ-BCDXTJNWSA-N 436.273 0.703 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 1796439549 KGQBTXVRMAJWRR-ZUWBBCLGSA-N 427.505 0.756 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797323609 KYJAAOSCNNVXBC-ZSBFGKGUSA-N 449.584 0.071 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443511 DJWLDRCWTRLCKQ-JONQDZQNSA-N 438.488 0.799 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc2cnccc12 1798458871 HFFAZEGTOXKPFF-VPTLXERWSA-N 440.504 0.206 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363062 YGKXATJLLFOOHM-CTNGQTDRSA-N 446.272 0.028 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)cn1 1810297378 BTUHFNALHNQHGD-BEFAXECRSA-N 448.487 0.447 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C(Cl)Cl)[C@H]1c1cccnc1 1813078109 NWYFQZAJJGRGSR-YWPYICTPSA-N 433.292 0.956 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(=O)oc1)CC2)c1ccc(B(O)O)cc1 1815339574 HTJUJZKGGNXACO-CQSZACIVSA-N 439.258 0.316 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356676 KWYMKPYMJYMLNV-ILHIWHGASA-N 449.363 0.207 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815489957 IANIZJQLTOYODY-SJORKVTESA-N 440.508 0.808 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)N1C[C@H]2C[C@H]2C1 1819580427 RTBHWKOPDKQEBH-KBXIAJHMSA-N 448.593 0.768 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972480 NXTOZRRRDFFMIB-LSDHHAIUSA-N 428.917 0.412 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cn[nH]c1)CC2 1826080526 PHQNAKVIQJCKNN-CYBMUJFWSA-N 433.538 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)no2)CC1 1828924138 JIDYCWQUYKBXMW-INIZCTEOSA-N 442.476 0.926 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829092130 YLGVUYXFLRVJCW-UZLBHIALSA-N 441.337 0.290 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725706 RIGCNIWKNPHKQV-DNVCBOLYSA-N 428.917 0.308 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831646643 MPGHTVNWMGHLQS-PXAZEXFGSA-N 429.861 0.795 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796898 HNYDQDHDUGGDTP-QGZVFWFLSA-N 441.517 0.239 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1837958473 YWBRHWQNDODUBU-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839146323 NPJHZYDZMWOZSV-BONVTDFDSA-N 439.822 0.911 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198730 NGPJVQKSEJHJIC-DOTOQJQBSA-N 448.289 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898835 VDOQVZJDSHFEAY-SUMWQHHRSA-N 447.326 0.570 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839962721 PLXRQZQLEAVKFO-ABAIWWIYSA-N 433.328 0.782 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839962891 UQYOPHHTBKSVJU-RVKKMQEKSA-N 432.359 0.711 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccn1 1840504545 OFIXGACPKWTGBI-JTSKRJEESA-N 447.536 0.015 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841602120 SWQPUTVLVASQGM-GOSISDBHSA-N 441.532 0.574 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500924 FSLFSNVWWCBZHW-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H](O)c2ccccc2Cl)C1 1846508773 CJCWESKQCAQMHA-GOSISDBHSA-N 428.681 0.570 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 14854113 GFAZJYZFCFPFAR-UHFFFAOYSA-N 431.474 0.759 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 17190885 QJYGRQWEUQSQRD-UHFFFAOYSA-N 443.485 0.789 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(Cc3cn4ccccc4n3)CC2)n1 97010518 YASJQSFSQKNNIL-UHFFFAOYSA-N 427.534 0.607 50 20 ICGD CN(CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 726867258 CCHKAZYJIHUIHR-UHFFFAOYSA-N 438.531 0.891 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@H]1CCCO1 728378151 CUKKOPIHJAKHOM-OPUVUBOSSA-N 434.518 0.773 50 20 ICGD CCc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 728851081 MRDPTWGNKPIHII-UHFFFAOYSA-N 432.502 0.669 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 730102626 IHPBPMACJWPFPN-ZDUSSCGKSA-N 441.897 0.524 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 731176331 QFAQWMQGQQDWEW-UHFFFAOYSA-N 444.513 0.546 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@@H](C)O1 732260623 WSJJMZDHPIBDOP-VXGBXAGGSA-N 428.467 0.259 50 20 ICGD CCn1nc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 735727636 PEXQYPMMIPOJCG-UHFFFAOYSA-N 439.384 0.943 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)cc1C 736794762 KUINAMHTKVSITA-CQSZACIVSA-N 433.486 0.714 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccc(Cl)cc1 742029626 ORNWCCUBPWXZFD-SECBINFHSA-N 435.915 0.081 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1 748696596 MTCDWVDARNBWBI-UHFFFAOYSA-N 431.493 0.522 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 748866789 OBKYXKIUDBLHPF-UHFFFAOYSA-N 432.505 0.526 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cn1C 750663051 KQWLFYRUEWTBQT-CYBMUJFWSA-N 445.501 0.775 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2S1(=O)=O 751203342 MHCRKZIFNJADQO-UHFFFAOYSA-N 434.430 0.024 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 751426757 UVIRBZVDOKZCNG-GJZGRUSLSA-N 426.539 0.174 50 20 ICGD Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 753771244 UEIKYOOGOPLLJU-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD Cc1cccc([C@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)c1 758687996 VQZNQDBLCHAJFT-KRWDZBQOSA-N 426.477 0.732 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763682590 XELMLCKXEMGUII-UHFFFAOYSA-N 425.401 0.091 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 763916963 LUDJEMOJMMHORI-UHFFFAOYSA-N 443.395 0.226 50 20 ICGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 763917098 PMDGPCWFWOLVMO-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 763957780 KDXZBCZQFMFKJB-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 763957782 KEPOCCWZRPLCNK-CQSZACIVSA-N 448.501 0.708 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C(=O)Nc1ccc(-n2cnnn2)cc1 764270589 PQHQDNLDQDMLMW-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 764320173 WENPFYPDSRLMLC-ZIAGYGMSSA-N 440.522 0.476 50 20 ICGD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764427966 GTGGAQFFMTVLBW-KRWDZBQOSA-N 447.492 0.002 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n1C 765185164 KBTSXFAOKHWKHZ-UHFFFAOYSA-N 446.261 0.778 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 765646660 CDEJJCMAWDIHKM-UHFFFAOYSA-N 438.503 0.202 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)Sc3nncn3C)CC2)cc1 765755430 QCXGLYRQXVGFPO-MRXNPFEDSA-N 431.566 0.569 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 766888805 RWQSGNNTDLPLNO-UHFFFAOYSA-N 436.473 0.371 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1 774008317 GDNUSRXZEDYCEY-JTQLQIEISA-N 437.840 0.804 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775705105 YFERLHINRGSULV-CQSZACIVSA-N 425.401 0.675 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)c3ccccc3C2)cc1OC 775888422 YPJGXWXLTDBBGL-UHFFFAOYSA-N 433.486 0.754 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 776180911 GBTGOYWKQGHCFI-LBPRGKRZSA-N 427.383 0.764 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCS(=O)(=O)C1 783425619 ISMDDVHDDSLUQZ-HNNXBMFYSA-N 448.295 0.357 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCS(=O)(=O)C1 783428893 YKQKZDGNPJLMGT-AWEZNQCLSA-N 427.376 0.903 50 20 ICGD CCn1cnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004302 FGLSHUQUORVWAE-UHFFFAOYSA-N 441.473 0.542 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785066645 FYWBJQNFENCMRG-UHFFFAOYSA-N 434.456 0.864 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 785231269 GBEADUDSNSCYIY-UHFFFAOYSA-N 447.521 0.727 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)nc1 792399418 CHJFOJOALYIBMJ-UHFFFAOYSA-N 433.425 0.985 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1ccc(I)cc1 792606293 MAGPUHIUKXZADB-UHFFFAOYSA-N 438.225 0.806 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1C 793071189 ZJXMHBPAHPMIDA-UHFFFAOYSA-N 429.458 0.826 50 20 ICGD Cn1cc(-c2ccc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cn1 800814178 KKUAULCPMVYYQI-UHFFFAOYSA-N 426.462 0.046 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)COc1ccccc1O 801798691 ZXCYHKXTMZQRNB-CQSZACIVSA-N 436.490 0.859 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 806973147 BFNCIBDNGHTYCR-UHFFFAOYSA-N 429.355 0.921 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 807381281 MJPJJBLQBCLAGU-UHFFFAOYSA-N 449.577 0.564 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc2[nH]ccc12 808934542 KHJUDGOYCGPXEO-UHFFFAOYSA-N 435.396 0.991 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812730710 STOPFFKWFYXESP-UHFFFAOYSA-N 440.547 0.921 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c1 818764156 XOEUQDYJMZDIMF-CQSZACIVSA-N 441.282 0.806 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=S)NCCc2cccs2)c1 819427108 HRVAROGNMHHLIV-UHFFFAOYSA-N 431.565 0.353 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 914831964 XROAGKSNMCSDJC-UHFFFAOYSA-N 433.446 0.852 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 915597202 UNEYDFPRTIFWIS-SNVBAGLBSA-N 443.428 0.778 50 20 ICGD COc1ccnc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 918563083 QFBWFZSOKZCROW-LBPRGKRZSA-N 433.446 0.566 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 920826010 HHNFRSGTNXOCPA-UHFFFAOYSA-N 442.925 0.898 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)NCCc1cccs1 920889040 JEKGZLFZSQIFNE-UHFFFAOYSA-N 441.491 0.898 50 20 ICGD C[S@@](=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 927716739 FDOIUUMGZHRGAE-BJLXPSRBSA-N 432.454 0.709 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnn2ccncc12 1117390409 JUZVVTSJRKLSMT-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cncn1-c1ccccc1 1318412663 JFLXCXQLEMTKMN-IBGZPJMESA-N 440.504 0.347 50 20 ICGD Cn1c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(Br)c1C=O 1339762190 VNGDGTRJHAPYEW-UHFFFAOYSA-N 432.234 0.922 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1779687722 OKXYMRAWMGPKJE-NFBKMPQASA-N 437.305 0.511 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781375013 BXJVHAKZNYDJPN-HXOBKFHXSA-N 438.289 0.277 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1781903290 QLYCIAFYFASGGB-YUYGLALOSA-N 432.359 0.397 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784548720 VYLZDABEJBTPRB-IERDGZPVSA-N 433.509 0.052 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784915301 IFEFCUGIGUYDGT-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637084 COHOSTYPQWZDRY-XSLAGTTESA-N 426.941 0.919 50 20 ICGD CCOc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1O 1790231732 PMNMKSZEULQZHI-FAYQHZLMSA-N 426.897 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccc4[nH]3)[C@H]2C1 1790336786 AHCHHDSGPIQQNH-DOXZYTNZSA-N 442.520 0.529 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1791057845 QSTYSUOGDCNNDI-RCWTZXSCSA-N 427.242 0.860 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1ccnn1 1791100526 MVMSFTLLNOKUFR-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1793882875 YMRVUYBMDSOURU-XRGAULLZSA-N 443.928 0.687 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1F)C2)c1ccc(B(O)O)cc1 1795735219 QKISRCBKUVJHFB-USGNIVHTSA-N 444.243 0.091 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccoc3c1)C2)c1ccc(B(O)O)cc1 1795735920 JSRVLAPNLRNLSU-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(F)(F)F)C2 1797750555 KLRBSKOVRZHVRB-QHBPRCKVSA-N 429.399 0.231 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1797956734 BCOKHRNUJARPJD-GNXNZQSNSA-N 426.464 0.533 50 20 ICGD Cn1nc2c(c1C(=O)N1[C@H]3CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C3)CCC2 1801092036 GXNVZPZIIRUFEN-BTTYYORXSA-N 437.504 0.473 50 20 ICGD CSc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1801180156 AZNNNWRGRYPUJX-FAQVEIGNSA-N 448.589 0.914 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806852763 PNFRLQATPCMTTK-QWHCGFSZSA-N 443.342 0.989 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976931 ZCUMIEGDTVVTMD-UHFFFAOYSA-N 440.353 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(F)nc1 1810692894 ULVIGGUGERCTEA-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1813064113 SGYDNRJGGAFRBC-BDEJMISXSA-N 427.885 0.303 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073655 NBKNLGJXFCAKIQ-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)C(Cl)Cl 1813075484 DTKFBNFFSPEWIZ-BXUZGUMPSA-N 428.276 0.443 50 20 ICGD Cc1nc(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)o1 1815344010 BJCATTMYXJGENM-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350006 DABWMGVUJGVFCV-NVXWUHKLSA-N 442.350 0.533 50 20 ICGD O=C(CCc1cn[nH]c1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815875620 PSQRPDGBYMEHTG-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCO2)[nH]n1)c1cccc(B(O)O)c1 1817474686 GIBAJKVGEGPYKL-ROUUACIJSA-N 426.282 0.965 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)NC=O)[nH]n1 1818113545 PNFGZVXMYAHDEI-YQDZXRIASA-N 442.480 0.670 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cncnc1)CC2 1819795993 XDFRGLDYKBZJAO-LLVKDONJSA-N 438.473 0.471 50 20 ICGD CN1CCN(C2(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@@H](O)CCl)[nH]n3)CC2)CC1 1820794097 RKZKNXUMBFNRKT-CVEARBPZSA-N 438.960 0.782 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)nc2cccnn12 1821261358 CSBJGGYACBEVHD-SKDRFNHKSA-N 448.892 0.372 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1822184253 QYXDPCDCJVTSIG-HOSYDEDBSA-N 429.319 0.778 50 20 ICGD CC(C)N(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822992158 JBHLBFHNBRQKHZ-GOSISDBHSA-N 427.314 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)CC2 1826080411 JFHNPCNDYGOCRZ-ZDUSSCGKSA-N 432.506 0.375 50 20 ICGD O=C(c1cc(O)no1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057883 MBMURAULELGAHX-KRWDZBQOSA-N 427.266 0.607 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1830537882 RMMBMNXDTJUPAJ-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830722865 HUOLOEUQVBGEAY-PXNSSMCTSA-N 442.944 0.288 50 20 ICGD O=C([C@@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249021 IERQFOCRMWKALM-PELKAZGASA-N 438.733 0.332 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832480936 KNLVAFDYKXEWBI-JSXRDJHFSA-N 426.322 0.492 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1)[C@H](O)CCl 1833312677 WNHZZBMUJBHAOG-MRXNPFEDSA-N 438.912 0.595 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833543339 RLFVKRAXILNISW-KRWDZBQOSA-N 430.977 0.320 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833711900 HVNQKDNDPCAQFC-OAHLLOKOSA-N 427.933 0.127 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834825518 ZNINMUMZGQWOLB-MRXNPFEDSA-N 433.299 0.181 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835766826 PXSWTYOWHZSCTE-FXAWDEMLSA-N 430.977 0.226 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1836062831 XOBSKBNADHRLOL-QZTJIDSGSA-N 433.336 0.655 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)on1 1837481631 JIOSUWLIEVMEQF-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1 1837715168 APAHMPIKCFLJPT-LJQANCHMSA-N 438.557 0.407 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827911 CLBWUYUZFFUJBZ-MEDUHNTESA-N 445.270 0.776 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839198569 IUHYUONISDTAAR-NVXWUHKLSA-N 447.305 0.418 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839202458 GEAYQZLRRCFXGH-VMUDFCTBSA-N 437.306 0.684 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839448722 QODJDKRTDLYVMD-YOEHRIQHSA-N 447.257 0.858 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840036488 LAPCLELXBDTBGL-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189120 YJISXZDHDLIJOQ-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840485576 CUBSJSRFOWEUGV-ZMXQLYDGSA-N 439.310 0.731 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498729 XTZWXIYCVKIQQY-ACJLOTCBSA-N 442.310 0.570 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842275337 RARNXGMPKINXDH-UHFFFAOYSA-N 431.204 0.494 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1844265107 UVTIDXSDGFNFTR-IBGZPJMESA-N 447.499 0.268 50 20 ICGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1846249225 OQOOFYJOCJHVRK-AWEZNQCLSA-N 425.295 0.950 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1846363975 PCSMRFRHTGJBBD-UONOGXRCSA-N 433.933 0.719 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 11672359 SANVGWZUOQHXSB-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C1CC1 729617075 FPXMNRKEVMJSFN-AWEZNQCLSA-N 439.538 0.134 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc2ncccc12 731343655 ZJGWSXMCJRGJPR-LBPRGKRZSA-N 429.462 0.255 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)C1=O 734252119 DAKVHWXGHSZEIS-UHFFFAOYSA-N 437.478 0.183 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 741825529 JGMTZQARDBMYAB-UHFFFAOYSA-N 441.444 0.363 50 20 ICGD O=C(NNC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1csc(N2CCOCC2)n1 742239768 DQTUSJFLWWPOTH-KRWDZBQOSA-N 449.508 0.953 50 20 ICGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ncnc3[nH]cnc23)c1 743474092 XENKTRZZYZRKAP-UHFFFAOYSA-N 425.858 0.688 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1[C@]1(C)NC(=O)NC1=O 743730018 WQGCZACUBPKRBH-KRWDZBQOSA-N 425.467 0.185 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2COCCO2)c([N+](=O)[O-])cc1OCc1cscn1 744650072 XYPIHXOHTWNSPH-HNNXBMFYSA-N 438.418 0.815 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)NNc3nc(Br)cn4ccnc34)nc21 750247747 SWXCGLKNORCKRM-UHFFFAOYSA-N 432.242 0.950 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751272192 NBZAYLWPZGYZOT-UHFFFAOYSA-N 448.445 0.056 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 753121766 UBYRCRRTHBYUOB-OAHLLOKOSA-N 440.485 0.481 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O)OCO2 753841148 POMULHORIWMPQG-UHFFFAOYSA-N 429.385 0.626 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2OC)cc1 755548819 RJIGAFGYZVFDON-UHFFFAOYSA-N 430.417 0.830 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 755863278 AOZBEPJBXROPCK-UHFFFAOYSA-N 438.444 0.941 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(C)o2)c2ccccc2c1=O 756035784 GPTKYWDORSGNRJ-UHFFFAOYSA-N 433.446 0.430 50 20 ICGD CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCCCC1=O 756576583 PLTNZZSHUBSJRW-QAPCUYQASA-N 447.488 0.944 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)nc1 759739080 JXNUORHPJPWHMM-INIZCTEOSA-N 438.444 0.861 50 20 ICGD Cn1ncc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1Br 760428075 WVGCJWDSRBVNIX-UHFFFAOYSA-N 430.122 0.623 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 760439312 JPZQCVAMUVHDCP-UHFFFAOYSA-N 442.494 0.230 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1O)CC2 763525528 CLAQWAWFDBJADA-UHFFFAOYSA-N 432.458 0.041 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1S(N)(=O)=O 763678053 CDNCGLCJSYXYDY-UHFFFAOYSA-N 438.437 0.200 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)c2ccccc2c1=O 763786415 NSADFIIZFQASBC-UHFFFAOYSA-N 446.427 0.397 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763813276 JHYPZADCNCOLGP-UHFFFAOYSA-N 444.469 0.310 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(I)cc2)n1 763880585 HUKVTKSLRGUITB-UHFFFAOYSA-N 441.229 0.891 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)n1 763893405 UVKMDJCREZEVHF-UHFFFAOYSA-N 448.505 0.035 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 764001522 ACXKHESOTQKOGL-SNVBAGLBSA-N 437.396 0.457 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764005596 CGVMFLMSDVCBRS-UHFFFAOYSA-N 429.385 0.653 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764150740 AJOLKPZKEXIWOQ-GOSISDBHSA-N 439.472 0.666 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)CC1 764159461 WYPJPNCAMDNTIZ-UHFFFAOYSA-N 427.461 0.386 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 764165331 WPNQJEDQEWMLIN-HXUWFJFHSA-N 437.500 0.524 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2)c1 764233821 YUVNBSQBPMWXEX-UHFFFAOYSA-N 435.234 0.956 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c(OC)c1 764283513 AASMDCIQNXXYGR-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 764284723 QUKRJSZGPFDELK-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 764325266 HLTXMQHJSJZFGD-UHFFFAOYSA-N 440.522 0.682 50 20 ICGD CC[C@@H](C)NC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764512320 BMTJKGJLDCDUDR-OAHLLOKOSA-N 427.596 0.595 50 20 ICGD COCCOCC(C)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764819589 RSWQTUCVDAFYKK-UHFFFAOYSA-N 426.539 0.456 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1cc(Br)c[nH]1 772972528 AMBIINZMUIHRHY-UHFFFAOYSA-N 431.272 0.095 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440316 DYKZHKDQUFUBAI-MPBGBICISA-N 439.513 0.795 50 20 ICGD O=C(CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)NCC(F)(F)F 779676118 QZKWTUXUTJJCBN-UHFFFAOYSA-N 449.861 0.674 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783425145 BHDFAPHMPIWYAX-IBGZPJMESA-N 440.522 0.070 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n(-c2ccccn2)n1 783426923 PDQPDYOISMVPMP-IBGZPJMESA-N 434.522 0.701 50 20 ICGD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 783815952 LSVWFUUGUBXMDJ-QMMMGPOBSA-N 426.860 0.236 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 784002025 JFORQPGTJJFOBR-UHFFFAOYSA-N 447.411 0.529 50 20 ICGD C[C@](O)(Cn1ccccc1=O)C(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 790856594 CEJANIQLYPNVRI-SFHVURJKSA-N 449.514 1.000 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(C)o1 794598589 IBTJBJIWJICCDJ-UHFFFAOYSA-N 425.419 0.611 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 797368540 DAUKHPHVGDLNOP-UHFFFAOYSA-N 438.400 0.749 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 806969074 WPQOEWAPDVHJNT-ZIAGYGMSSA-N 425.445 0.569 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)N[C@H]1CCS(=O)(=O)C1 808080255 BUJJXUFUNSFIPG-ZETCQYMHSA-N 435.377 0.404 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033164 HROKLKOTJJQTFT-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD Cn1nc(C(=O)NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)c2ccccc2c1=O 874068434 KQEWNZJQYWGDMB-UHFFFAOYSA-N 442.867 0.560 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 884552091 RDVLYQLSEQBXDH-UHFFFAOYSA-N 448.288 0.373 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 914829609 FYXQMTRYXRSJIM-UHFFFAOYSA-N 436.465 0.848 50 20 ICGD CC(C)OCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915888281 IDTBWZIOUMICGY-UHFFFAOYSA-N 428.511 0.467 50 20 ICGD NC(=O)c1ccc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 915937533 QSQGSAZRJGAING-UHFFFAOYSA-N 444.513 0.889 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(Br)s3)n(C)c2n(C)c1=O 919691058 RQVHWDCZZCSGPK-UHFFFAOYSA-N 440.279 0.475 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2nc3ncc(Br)cn3n2)c2ccccc2c1=O 919805837 UFQLAXDOTYUBHK-UHFFFAOYSA-N 443.221 0.209 50 20 ICGD CCOc1ccc(-c2noc(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 919886953 WIFXXTCXUUYACR-ZDUSSCGKSA-N 437.478 0.585 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)n3cccc3)CC2)cc1 1116416086 GCKXILHLAGZXBD-KRWDZBQOSA-N 433.534 0.511 50 20 ICGD O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CCN(S(=O)(=O)CBr)CC1 1323070528 OVFUJNHNGWMPMZ-LLVKDONJSA-N 429.358 0.028 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ccc2c(n1)OCCO2 1777951843 FGSGSILFFNWGTQ-AKCHCHLHSA-N 439.896 0.580 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)ccn1 1780323131 FKKNERIRIFWYPO-QRWLVFNGSA-N 439.896 0.956 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1780699453 FRCRPLWCYSRTDJ-BASYENTBSA-N 437.990 0.846 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1782172856 OKIKRSUSHMTVMD-VEVIJQCQSA-N 428.873 0.269 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782651386 JAXGSOBQNLYWOV-HXOBKFHXSA-N 437.305 0.084 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681406 ZKTKVEGFZDPETJ-YVEFUNNKSA-N 443.298 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783545813 LRYRHEZAKOHKTN-KFVVBQDRSA-N 447.919 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 1783600189 SDJIIDINSFIZIY-QFIPXVFZSA-N 434.512 0.961 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1783933102 QOWZPLJZQWJSBA-IBGZPJMESA-N 425.436 0.176 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993588 PLNHNEOQQAXGID-GVRJEKJASA-N 447.960 0.869 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1784518718 VQDKTXDXEQSQST-DMGJQLCPSA-N 441.492 0.408 50 20 ICGD O=C(CCc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787019074 IWVGPAIETRSSKS-IHPCNDPISA-N 442.346 0.654 50 20 ICGD CS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1787837179 CMXRLOLJHXGPGR-UHFFFAOYSA-N 445.501 0.477 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926437 YBYOQXNDNTWERF-MOLYVOAJSA-N 437.310 0.364 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1790961443 JXLNYOOCNRAXGK-XQLPTFJDSA-N 446.342 0.982 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1792956331 KXYQQSVVPAIMSX-NEXGVSGLSA-N 430.929 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cc(F)ccn1 1794027153 SMXAHQNMHQGHMB-USGNIVHTSA-N 435.500 0.116 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794312151 DDHZAPUUEVXBPP-XJFOESAGSA-N 441.326 0.763 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2)c1ccc(B(O)O)cc1 1795734791 QOLQPBXXCFWJNQ-VPTLXERWSA-N 444.243 0.091 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c2n1 1796189123 YSELPWOXZSWZQF-REPLKXPHSA-N 447.304 0.592 50 20 ICGD O=C(CSc1ccncc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189812 DCYCLCNGLWHJDN-BCDXTJNWSA-N 425.319 0.806 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797432622 GMRMVTXNRYPLNY-JFILPPLUSA-N 441.326 0.900 50 20 ICGD Cc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749794 UDUYFVOQLDRHMB-YWVIFJGQSA-N 429.502 0.572 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)no1 1797829112 CORMQYDVJZKNIU-TYYYEBLRSA-N 447.319 0.539 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C2 1798443209 XPLFTGNJDVPFPZ-CLWJZODNSA-N 437.500 0.541 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2 1801011387 JNDHNTOQLNXREE-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2 1801011512 RNECKVGPXCIUIH-CWPLJXCYSA-N 430.505 0.198 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnc1 1803314902 YZFJXBPICIEQNF-PLMTUMEDSA-N 441.536 0.918 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1804910086 YVDKUNGKNAZPHQ-LJQANCHMSA-N 429.326 0.126 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cnn1C 1805925350 VPNGJNSFLHDYLW-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(F)cn1 1805978599 CLMQKDFUGISQIK-UWJYYQICSA-N 448.263 0.929 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363937 GHUGOSNHDRMUKP-PKOBYXMFSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369459 KMAYYIJUMVGQFF-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1809974056 OHGQTRBUNGOJAG-AQNXPRMDSA-N 426.322 0.779 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809980263 SHNXSMGELWWZBE-UHFFFAOYSA-N 442.321 0.555 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1810301640 BCLMMDQYGXOBCB-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302559 LEEMHZGQESHTOL-DJKWXERGSA-N 438.488 0.950 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812909156 VJRUTMQLKIKFBB-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070519 JQWDIWNTFAMPOZ-FYINFDKHSA-N 446.552 0.327 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)c1ccc(B(O)O)cc1 1817471212 HKKYWOYYZZROPY-GOSISDBHSA-N 449.276 0.257 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)c2ccco2)CC1 1823770412 DIZSOTFCRFLXGW-PZJWPPBQSA-N 440.305 0.926 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049058 IICATQRQRLCDFM-OXJNMPFZSA-N 443.353 0.514 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830374180 AHOOVQLEPDEBGG-NFAWXSAZSA-N 435.338 0.889 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830543346 QHTAUUCPTUIQCC-RDTXWAMCSA-N 442.310 0.421 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1830719926 PBTGIXFAYMCZFQ-XLIONFOSSA-N 438.908 0.480 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830720428 ZNANYWPOUSYLHG-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725709 RIGCNIWKNPHKQV-KXBFYZLASA-N 428.917 0.308 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832819496 CDTGECRPTPQFBH-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312479 OINHZCAJDWAUPB-PBHICJAKSA-N 426.949 0.086 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833422638 FJQQMBPNGBUQOX-YOEHRIQHSA-N 430.977 0.727 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822624 YSSSJVGVTYJDLL-MRXNPFEDSA-N 431.287 0.420 50 20 ICGD O=C(c1cnn2ncccc12)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717603 GMHCZWKFEPIBTD-SFHVURJKSA-N 435.912 0.941 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839147731 ASLYIBLPCYGSKA-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839625065 AIYPKGHIGJSJOS-QGZVFWFLSA-N 446.266 0.742 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840076880 MDUMCHZZUZJMKO-WMZOPIPTSA-N 440.896 0.047 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840153889 FAXBHOVPBGVTBL-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cccn1 1840439948 AFRAZTIZIUODCV-RHSMWYFYSA-N 429.315 0.686 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447869 JRWOGVIPWQYCBW-IAGOWNOFSA-N 434.324 0.361 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)CC2=O)c1 1841007566 MCYGEBKANSRDIK-YOEHRIQHSA-N 435.908 0.851 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CC1 1841788087 ARHQUWAZLNQRGA-CQSZACIVSA-N 445.944 0.552 50 20 ICGD COc1cc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(F)c1 1843014594 COTZJXPLGKUSQR-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1846362853 ZAYUSFWHWJJOIF-GFCCVEGCSA-N 444.879 0.642 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848216754 JEDOIRJQYFUDNX-NUZBWSBOSA-N 439.310 0.978 50 20 ICGD CC(=O)N1CCc2cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)ccc21 26772715 GNYQABVSWXNBJA-UHFFFAOYSA-N 444.513 0.986 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)c1ccc(Br)s1 725873127 KNNMHSSPYUTDEX-UHFFFAOYSA-N 446.308 0.977 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 727145318 JDGDTOAFNSNCSU-GJZGRUSLSA-N 440.522 0.640 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(OCC(N)=O)c3)cc2)CC1 728214884 UJDKYDWLILSMFM-UHFFFAOYSA-N 447.517 0.244 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 728344207 HRZPFQMKZRHMMU-MRXNPFEDSA-N 431.357 0.748 50 20 ICGD Cc1cc(CN2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)no1 728959315 KOIGLXWEJSKWIV-UHFFFAOYSA-N 428.497 0.548 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2c(S)nc3ccccc3c2=O)C[C@H](C)O1 732261914 PBTVVGHTLQENJF-KBPBESRZSA-N 433.534 0.722 50 20 ICGD CNc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 735116781 FKANGCOXYMAZDY-UHFFFAOYSA-N 449.493 0.725 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1C 736308646 QUWVSNMWOBLXQR-UHFFFAOYSA-N 448.549 0.933 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2cc(Br)ccc2O)C1=O 743730371 WFGJYVJVZVAPRQ-MRXNPFEDSA-N 425.239 0.636 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 744583073 MUVVSEMCYIPXQL-UHFFFAOYSA-N 435.396 0.228 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(C)c1=O 745989194 RVUNBLCQIVHBCI-UHFFFAOYSA-N 444.429 0.890 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 746338673 FUJDPIZKDUSEHO-JTQLQIEISA-N 433.343 0.857 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1cnc2cnccn12 746366874 SOKXHLGBPDPXTA-UHFFFAOYSA-N 442.501 0.833 50 20 ICGD COc1cc2ncn(CCCC(=O)NNC(=O)Cc3ccncc3)c(=O)c2cc1OC 747323933 TXQTVODXIGMFPH-UHFFFAOYSA-N 425.445 0.979 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1nccn(C)c1=O 747941561 HMDIFJQSJDKNGH-CQSZACIVSA-N 425.536 0.632 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)C1=O 748531001 ZMQKJUVDOPRKRV-UHFFFAOYSA-N 427.442 0.856 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 748636782 XQFPEYATGQTFET-INIZCTEOSA-N 427.546 0.093 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 749447771 FYDPAVHUBVEKPV-QGZVFWFLSA-N 436.468 0.753 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 751209276 NURPFCITMXVUPC-UHFFFAOYSA-N 440.478 0.519 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1 753948578 OGJXIMGGIGELEK-HUUCEWRRSA-N 428.511 0.140 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cc(Br)c[nH]3)cnc2n(C)c1=O 755850148 XUYOELCIYMSTKU-UHFFFAOYSA-N 436.226 0.189 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ncccc1[N+](=O)[O-] 759303973 WMADDRZGAJRMOU-UHFFFAOYSA-N 437.434 0.776 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)n1 760278494 YCZQMHUEEHZGHE-UHFFFAOYSA-N 447.253 0.769 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c(C)c1S(=O)(=O)NC1CC1 763463022 UOIUTMACGQFEOR-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763529029 IDFMYSSCVLOYNM-GFCCVEGCSA-N 434.474 0.869 50 20 ICGD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764427010 XJWITUOJNMQFNP-CQSZACIVSA-N 440.884 0.760 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 765323579 RPHLMXPCRNRDJI-UHFFFAOYSA-N 448.274 0.164 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)ccc1Br 765915170 HAEOKUIDFHJXJA-CYBMUJFWSA-N 438.282 0.472 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cs1 767056998 ZUCLVJOCWKIDIU-CYBMUJFWSA-N 440.455 0.296 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1=O 768644878 IPLALOHQZVESKL-UHFFFAOYSA-N 446.485 0.739 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)C[C@@H](C)O1 768930494 SUWVBKDZOQTSSA-ZSDSOXJFSA-N 437.541 0.524 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1 771867142 HNTYBPRKVZOOQH-QWHCGFSZSA-N 429.495 0.487 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)cc(C3CC3)nc21 771975803 UWIYRGIODBAIBB-JTQLQIEISA-N 431.449 0.887 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 771992696 MGTUWZOBMNFKPP-AWEZNQCLSA-N 441.506 0.446 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 772991897 XMTNXTDQBVMVMW-LSDHHAIUSA-N 438.912 0.435 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 772995190 NPNFHBYONBDCKK-SCRDCRAPSA-N 443.909 0.290 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 778436392 JEKHDYDGYWPJLX-CABCVRRESA-N 436.465 0.431 50 20 ICGD CN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2C1=O 784696624 YZIULUJVGUFZAT-KRWDZBQOSA-N 430.486 0.567 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 784842722 WENIAVNITWYRCQ-JLPGSUDCSA-N 446.489 0.985 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788330785 LPCAOHVADUUMKJ-JTQLQIEISA-N 425.854 0.046 50 20 ICGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 789733048 VCRZHBSADUSQNN-KRWDZBQOSA-N 426.477 0.810 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])c2)CCN1 790585501 RELDMUUCCRHFKL-UHFFFAOYSA-N 437.409 0.611 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2cc(C)ccc2C)[C@H](C)O)cc1 791785339 MVEOQPSAESAPBE-JXFKEZNVSA-N 449.529 0.866 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nc2ccccn2n1 792393836 IMTKWMJNPAPBKM-UHFFFAOYSA-N 446.493 0.127 50 20 ICGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1 794600043 WBSWFFAFJIOCJP-UHFFFAOYSA-N 427.504 0.827 50 20 ICGD CCOC(=O)CON=C(C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)c1cc[nH]n1 794716913 HOVPWEQSZLIICO-UHFFFAOYSA-N 438.466 0.087 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 800837371 VLJPDTSGRANFGV-UHFFFAOYSA-N 448.567 0.331 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(=O)cc1C 806338721 STZOOPSIHZBZFT-UHFFFAOYSA-N 435.506 0.479 50 20 ICGD CC(C)[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nncn1C 807432445 PARCOJWAJSFOQL-INIZCTEOSA-N 449.537 0.941 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C 810348132 ISXVPVVQEIJQCL-UHFFFAOYSA-N 446.533 0.436 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693024 JMLDMWRFSRDYRI-NSHDSACASA-N 446.489 0.742 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(OC)c1OC 815778994 MTHGIHLEEKCZDH-CQSZACIVSA-N 447.448 0.222 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 816877432 UBSPHYWPRWGGAC-QJISPJEISA-N 445.443 0.933 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 836520086 MADBWMDIILDEHW-DZGCQCFKSA-N 428.486 0.376 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C 913573114 XWBKLHTYPDKERM-UHFFFAOYSA-N 443.485 0.290 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1Cl 914749579 GGLWRUUMNNCJSX-GFCCVEGCSA-N 436.877 0.802 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 916649109 IMRUIWZOPYYSNY-UHFFFAOYSA-N 449.533 0.822 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 919818167 ZJAYUDYPZMILHW-UHFFFAOYSA-N 438.466 0.673 50 20 ICGD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 1317988844 XDJLSNAMPSRRMI-JTQLQIEISA-N 445.544 0.972 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1 1322487526 HGDDLHREUZJMHU-UHFFFAOYSA-N 435.506 0.832 50 20 ICGD O=C(NCc1nncn1-c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 1337487103 BLLMSOFJNISRJN-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778912159 VGXJBBINUYEQFF-DBXWQHBBSA-N 442.988 0.682 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(F)ccc3F)CCO2)C1 1779032676 QQXOEVAVZJRBJR-NRFANRHFSA-N 445.426 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1779037211 UBILTUFQKIXGNH-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)no1 1779122774 JLROHSWYKSUOGD-ROUUACIJSA-N 447.319 0.779 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779543588 JEGFSVZOHQRKNU-QMTMVMCOSA-N 428.606 0.799 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1782002713 UUMMFOIEFSAYLE-PBFPGSCMSA-N 449.415 0.768 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1cccn1C)C2 1782178998 RNMYUFFIPZCMND-AKCHCHLHSA-N 425.913 0.976 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cnn1C 1782210767 IXOFYGANVBHYIM-DYESRHJHSA-N 434.541 0.229 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1783534446 UXTLOGZDNOBNOV-SJCJKPOMSA-N 425.283 0.633 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1783877116 VGONLTURGAMUBE-KUHUBIRLSA-N 433.933 0.937 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373207 CQIXLUYSWXZZOK-FRQCXROJSA-N 425.917 0.304 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404344 FUMZPNPQIXSUIK-KKUMJFAQSA-N 432.359 0.913 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786749168 YUTDMOPFNKFHJY-QAETUUGQSA-N 446.386 0.862 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cncn3)[C@H]2C1 1788727931 UXMCTXXQCCDMCI-QTVXIADOSA-N 428.331 0.677 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1790962453 ZGDPGFMVIXKAKU-LXFSFDBISA-N 430.343 0.666 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1791056137 OSZJINQMQZPHOS-MRLBHPIUSA-N 428.331 0.677 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(N(C)C)c1 1793858899 YASJEAXFTVDEJN-ZDUSMZPESA-N 439.940 0.975 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C=O)s1 1795744088 ZUOHYNQNWHJFFQ-DPIQGUFMSA-N 443.485 0.076 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1)c1cccc(B(O)O)c1 1796814672 JHHUTYOUDXQAJT-CIAFKFPVSA-N 433.317 0.333 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)C(C)(C)C 1797953919 SJXHDLDZIYCMHU-MVJTYMMSSA-N 427.618 0.978 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1799275149 LQIQNOSXGAUZSC-ZHEXZJMTSA-N 429.348 0.777 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1800976774 HGCYBWQRFXFMPP-XYEHJBINSA-N 439.896 0.295 50 20 ICGD Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013378 RJNGMRPKZRSLGU-FAQVEIGNSA-N 432.521 0.336 50 20 ICGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803353368 XNXQVHVDZLKNMW-PBHICJAKSA-N 442.476 0.019 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1804331793 YJYYKABLAJSXME-OXQOHEQNSA-N 441.488 0.936 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)[C@H]1c1cccnc1 1805488618 JMLRWPQLCLYAJB-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](Cl)COC)CC2)C1 1805959260 BBAFRMUKHWASAJ-CABCVRRESA-N 437.990 0.799 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079158 CSVFCDZUQXBWTN-APHBMKBZSA-N 434.859 0.876 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n[nH]1 1810303214 QTJZDGWFOADIOQ-BEFAXECRSA-N 448.487 0.745 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nccs1)CC2)c1cccc(B(O)O)c1 1815354718 BNDRFAZOKNPPNU-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD CC(C)O[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357070 XQBDKAKXURULRL-WFASDCNBSA-N 431.323 0.862 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)[nH]n1 1819402731 IWLSJAJEOVBYLI-HZPDHXFCSA-N 427.465 0.893 50 20 ICGD CC[C@@H](NC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403054 UAVPKPOEIYKUEE-GDBMZVCRSA-N 428.497 0.712 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820932014 BVEKTZHHNKBTJT-PLMOITTCSA-N 433.282 0.685 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185865 HUMADTQBUQVJDT-IAGOWNOFSA-N 437.928 0.518 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824444961 JLLSXCPYTDTZNY-IUODEOHRSA-N 430.339 0.389 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)CC1 1826224187 LXUCKVZTHGUYGG-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(=O)N(C)C)CC1 1827681260 STWNBSAKTGWADS-LSPPGFKNSA-N 444.536 0.828 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830542798 DUPHSVMZMVGIDS-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD O=C(c1scnc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724945 KFWURLHVMMMLHW-ACJLOTCBSA-N 429.926 0.690 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccn12 1830727995 MQRVKARXNWXBQH-MGPUTAFESA-N 436.896 0.312 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731628 LOABQOYWKJTXPT-PXNSSMCTSA-N 442.944 0.696 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735659 KRIKQLKKRQZXGG-UWJYYQICSA-N 440.924 0.982 50 20 ICGD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1831368282 ULOHEKJPPQEDBD-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831656549 NNKFTSUQURPPFX-NVXWUHKLSA-N 448.402 0.676 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCCCC2=O)CC1 1831768288 GOILJZJZGWLYOZ-LJQANCHMSA-N 449.596 0.992 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833008072 QIQQZNUBPODSDO-XLIONFOSSA-N 425.913 0.379 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnnc(Cl)c3)CC2)CC1)[C@H](O)CCl 1833308261 NBKNVUPHNFKEGS-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)on1 1834797510 RGWVWJJMHZRARZ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441397 WGAQOVZHJGHQJN-PXNSSMCTSA-N 431.961 0.573 50 20 ICGD O=C(CCC1CCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933925 GYDFKGAMBLTUAU-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394856 YHCSTXZJVFFHNJ-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD COCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836651226 BLXBAEROTDVBPR-UHFFFAOYSA-N 432.326 0.405 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836918871 KVGKWQYOXLOWNX-IRXDYDNUSA-N 430.977 0.985 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837200809 UNLXOSFFVPZSGI-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)O1 1837920411 VXJKNPALHPFABV-IIBYNOLFSA-N 444.337 0.546 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839150402 LNHSBZRLLUOKPX-ROUUACIJSA-N 431.320 0.712 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198202 XAXXWJDQGSDWED-CJNGLKHVSA-N 447.261 0.246 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839419465 CIOFFAFXGFZVBH-APWZRJJASA-N 425.844 0.367 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1839967445 MKYYECSKAKWTOE-GRDNDAEWSA-N 444.330 0.469 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840149912 BCFQYFHYFYOSBR-GLQYFDAESA-N 432.823 0.010 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840153006 ASKBRMXGUSMEHZ-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840154780 GMAZKKIUOQLDRB-DNVCBOLYSA-N 432.901 0.206 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840154930 KOQMLQGGNHFDOU-KXBFYZLASA-N 426.901 0.153 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1840186622 BLYZUVZBJZTTTM-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)n[nH]1 1845039161 LGPSAWJHAUDNCN-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)cc1 9889971 AZELFTYTHFTJDW-UHFFFAOYSA-N 444.469 0.730 50 20 ICGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 23297414 JNVHXADJYRWQOG-MRXNPFEDSA-N 442.969 0.430 50 20 ICGD COc1ccc(CC(=O)NNC(=S)NC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 28716457 RCWXMAJCPJWUMP-UHFFFAOYSA-N 444.579 0.552 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 116704757 NPGMOTGEHYRDQX-UHFFFAOYSA-N 435.506 0.837 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 725871258 IMQBPTIXVXTQNN-UHFFFAOYSA-N 442.520 0.548 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2CCOC(C)(C)C2)nc1 726262389 CZJYIHJVDKHNHC-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728437045 LQMJDEYDQDSNKP-AWEZNQCLSA-N 430.552 0.639 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)NC1=O 729742924 MKVPNEBLAZRAAC-BDJLRTHQSA-N 441.396 0.550 50 20 ICGD CC(C)c1noc(CCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 735117065 NIRASDCFYRTSTI-UHFFFAOYSA-N 437.526 0.600 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CC1 737065062 NARUEFUDKMZAIN-MRXNPFEDSA-N 433.509 0.482 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 743578196 VEKKFFKDUJMNSE-OWCLPIDISA-N 425.445 0.497 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 744447028 RZSYDHKTMAQXKW-HBIYDYFMSA-N 442.563 0.370 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)Nc1ccc2c(c1)C(=O)NC2=O 744450129 MXRZXYRSVTXPOL-UHFFFAOYSA-N 445.457 0.740 50 20 ICGD CCOC(=O)COc1cccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 747046813 HGIGQOYGMFNNSD-UHFFFAOYSA-N 449.489 0.053 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 750936112 DIQSPIJTOUOFRJ-UHFFFAOYSA-N 436.446 0.303 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)Cc3cc[nH]n3)cc(C3CC3)nc21 755288010 BSRNOYPGQAGOJH-UHFFFAOYSA-N 425.449 0.757 50 20 ICGD Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046281 GVODEGGMVJSQHY-SNVBAGLBSA-N 430.483 0.868 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 758147498 GYZKBSZUIPFSRG-UHFFFAOYSA-N 434.883 0.404 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 759164332 RHQROHVZUILNHD-UHFFFAOYSA-N 429.432 0.630 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 763572705 NUVBACACNJJCNC-LJQANCHMSA-N 439.472 0.364 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 763650853 RENMFHDANVLLTR-UHFFFAOYSA-N 431.470 0.798 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(OC)c(OC)cc2OC)cc1 763662428 YHEWWDXQDDOBKN-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)cc2OC)c2ccccc2c1=O 763786951 SKJZMOPHJAECMV-UHFFFAOYSA-N 439.428 0.833 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)n1 763883287 ZKEHRWFVUBQNPV-UHFFFAOYSA-N 439.480 0.694 50 20 ICGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)cs1 764233343 VEOOTFVVFYZUTE-SECBINFHSA-N 425.492 0.142 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764285851 BYHVTADZAHOWGN-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764333425 UOIMSLUDEPWVNX-JHNDHUHGSA-N 448.426 0.853 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764398263 QSEKVBNXODHJCH-HYKORDCSSA-N 425.385 0.451 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(COCCc2ccccc2)c1 764425678 QLGKBOJRZSHFJU-LJQANCHMSA-N 427.457 0.947 50 20 ICGD COc1nccnc1NNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 764648872 FXXATLIVEDSMGK-UHFFFAOYSA-N 435.510 0.960 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)c([N+](=O)[O-])c1 764812934 STLPANRWMUYHPM-UHFFFAOYSA-N 433.812 0.536 50 20 ICGD O=C(CCCOc1cccnc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733080 MNYYHKAFFRLBJU-UHFFFAOYSA-N 425.489 0.846 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cc1cn2ccccc2n1 765758764 QDABWJZZMPJLAN-CYBMUJFWSA-N 426.458 0.263 50 20 ICGD COCCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 769210277 XBSNMIPQYQZGRE-UHFFFAOYSA-N 426.543 0.461 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)N[C@@H]1CCS(=O)(=O)C1 780906964 HCAWQMPTOFMECN-OAHLLOKOSA-N 447.517 0.674 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1 783329471 HLYWZMSTGCKWOH-GFCCVEGCSA-N 428.449 0.857 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(OC(F)F)c1 783425061 AFXGTUHSGIGQFL-MRXNPFEDSA-N 435.405 0.211 50 20 ICGD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 787561000 TWRKAHJRXDIZBX-OAHLLOKOSA-N 431.927 0.939 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)[C@@H]1CCS(=O)(=O)C1 792853889 HHIOTGYJSQINTE-MRXNPFEDSA-N 438.531 0.410 50 20 ICGD CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 793309763 QUFMGBNDYWRTCR-LJQANCHMSA-N 430.553 0.788 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1F 797016526 DJIPHXKGCZQPLR-UHFFFAOYSA-N 449.464 0.713 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Nc3ccccc3)n[nH]c2n1 801985962 PWSUUWBHJQQIBV-UHFFFAOYSA-N 430.498 0.750 50 20 ICGD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 809973453 ZKZYALNIMWWJCN-QLFBSQMISA-N 429.539 0.852 50 20 ICGD O=C(CNC(=O)NNC(=O)c1cc(Br)c[nH]1)NCCN1CCCCCC1 814272225 ZCWCYWZZSIZEAB-UHFFFAOYSA-N 429.319 0.713 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccnc(S(C)(=O)=O)n2)c2ccccc2c1=O 816805590 BONKKLOXHLNMLZ-UHFFFAOYSA-N 430.446 0.246 50 20 ICGD CCOc1cc(C(=O)NNC(=O)c2nc(N)nc(N(C)C)n2)cc(OCC)c1OCC 816814077 HPFAFSJODCFOKG-UHFFFAOYSA-N 433.469 0.791 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 913416809 VEJFFGXSJJPCDT-KRWDZBQOSA-N 433.442 0.155 50 20 ICGD Cc1nnc(O)c(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1C 1251910443 ATXACRMAMAWDDD-UHFFFAOYSA-N 427.509 0.842 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NC[C@@H](O)CN2CCCC2=O)N(C)c2ccccc21 1324155716 KKYBGCUZPYVIHO-OAHLLOKOSA-N 425.489 0.757 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337468836 VUDPHQXBNYHFJV-SNVBAGLBSA-N 440.478 0.659 50 20 ICGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1 1339534512 ZPKHJZGFWNVSQJ-OAQYLSRUSA-N 436.509 0.702 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)n1 1779237119 SZJIGTXURCEAKY-SFHVURJKSA-N 431.320 0.920 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1(O)CCC1)C2 1779375023 KPTHFSVIHQWLSJ-DYESRHJHSA-N 445.520 0.118 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1780095200 JLOGWBRHTHXOBQ-NQIIRXRSSA-N 449.460 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1783382105 QELWQYLYUHLDQE-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1783932997 OFVOZUFLLAOCAZ-HTAPYJJXSA-N 432.521 0.587 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1783934217 AWKBLJOIKZIXTB-QFIPXVFZSA-N 445.495 0.443 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cscn3)[C@H]2C1 1786089075 PASUNWFOGAIPHI-PJODQICGSA-N 430.490 0.049 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncoc4c3)[C@H]2C1 1788050770 SRBNBNFGKXBSRR-BXWFABGCSA-N 443.504 0.794 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1790960917 CBPZCWGOZMVBOD-NXOAAHMSSA-N 446.386 0.862 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734599 UIRZBYHMGHOSGS-SQGHVOSSSA-N 438.289 0.575 50 20 ICGD O=C(CCc1cc(F)ccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189946 NQDQYPWAVJIINS-ACDBMABISA-N 425.269 0.785 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)n1 1796596537 KDNMDZDTRNLKTL-ZFHGCVPZSA-N 433.336 0.969 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439166 KLLCMERIWOXNIR-MXASKKJJSA-N 437.504 0.833 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cccn2)nc1)c1cccc(B(O)O)c1 1798899904 FLXCCKCMOWHDNM-ACDBMABISA-N 445.288 0.513 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1800332330 DBMHSASILBLMAG-WWKBNMOASA-N 444.438 0.740 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800641759 JRKATGCZWLUJSE-RDBQEKCUSA-N 441.282 0.552 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(B(O)O)cc1 1800661681 QFQIYIFAENGLBD-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801034195 GABDHMVLUXPROM-SZRLZVLASA-N 434.242 0.491 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1802338759 QUEMKJSIEBQQBW-QDMKHBRRSA-N 433.465 0.925 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803139787 VYJYRRHSCYKAHG-FCGDIQPGSA-N 431.924 0.652 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803141012 KDEYPPJFQVXPSR-UHOFOFEASA-N 433.852 0.489 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)C1 1805389865 XBTQYAMHEFROEC-CYBMUJFWSA-N 446.342 0.792 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnn1 1812400044 UGERUFXMUSDSEY-SYNHAJSKSA-N 442.524 0.313 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CCCN1 1819403910 MRYGWOONMJIVIJ-HRAATJIYSA-N 440.508 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSCC(=O)O)n[nH]1 1822428116 FMGNSMJRTINBPG-CYBMUJFWSA-N 440.526 0.593 50 20 ICGD O=C(CCn1cncn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822680408 HRVZKRHKNVOTBX-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C(=O)O 1823412620 ZHBSYAGTLSTVAD-CKDIWJPDSA-N 426.238 0.426 50 20 ICGD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)nn1C 1827056198 QLGQIPQPUGXLAO-NRFANRHFSA-N 438.337 0.955 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1830535238 KDELSRVMTFXMDQ-KSSFIOAISA-N 443.342 0.830 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731773 OWAGFMIWATWTHR-BEFAXECRSA-N 439.921 0.966 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735657 KRIKQLKKRQZXGG-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830966569 BNRVTWFLNSASRR-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831189117 VDDJJPUFRPNFCD-XWIAVFTESA-N 438.352 0.594 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(O)nn2)CC1 1831871380 CBJYJVGRYZMBIB-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1832590226 JOMWWQHLCPSRQO-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123232 CGYFPFGTTRAAPG-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210468 RZQWPCXYHMQZSS-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1 1836360916 WHULYTVNGOJVSG-JXFKEZNVSA-N 425.913 0.968 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837711343 FEISFGHEJYOHBQ-FQEVSTJZSA-N 443.617 0.017 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839146155 UZGFZKHYHMEREE-LIRRHRJNSA-N 426.901 0.753 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584180 GYWAGODJEKQYAP-MGPUTAFESA-N 440.928 0.233 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839597992 LLOBCODCIBDQPX-KUHUBIRLSA-N 440.859 0.372 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1840153288 JQBUCEFROKQKOY-TWOQFEAHSA-N 440.928 0.592 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840325626 JPVJEZLSFQGEIA-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365803 NYSPUUAEPYFWIX-SIFCLUCFSA-N 440.928 0.225 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840717080 GHJOJFUOGHENQH-KDOFPFPSSA-N 436.814 0.774 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348660 XYELWOMMNLNJKV-RDBSUJKOSA-N 433.933 0.718 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2csnn2)C1)NC(=O)NCc1ccccc1 1841696395 MTDNZEFLPXRJSB-UHFFFAOYSA-N 443.533 0.701 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843012284 ZAVZRUJXVDDLFE-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD O=C1CC(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)=Cc2ccccc2N1 1843014339 YKVRDTLOBFCSST-UHFFFAOYSA-N 445.284 0.609 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cc2)C1 1843448623 HPNZCWMNWSTUBH-UHFFFAOYSA-N 443.548 0.713 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265573 PUHICHRURNODTK-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2)NC(=O)NCc1ccccc1 1845038649 CPNUBXNCDJBBMD-SFHVURJKSA-N 426.521 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1846384833 OPFMLHCHJAEQME-UHFFFAOYSA-N 440.504 0.124 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc(OC)c1C 1846870804 MBDSTTQHICAEDM-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847423277 JQCNXFMRRGEWCC-KKUMJFAQSA-N 425.530 0.474 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 725873475 OAQWWUXHJNKJPE-UHFFFAOYSA-N 444.922 0.936 50 20 ICGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 727608815 XLEWPYVOTMQAFF-UHFFFAOYSA-N 430.421 0.400 50 20 ICGD CN1CCN(C[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)CC1 727843815 VPFJKDJGBUAXLY-HXUWFJFHSA-N 449.519 0.595 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728151405 AVMOWISDPJBZMM-GFCCVEGCSA-N 427.552 0.688 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1Br 730568904 GGAJTHKITCGWIE-UHFFFAOYSA-N 442.295 0.493 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(OC)c1 732245819 CBNIXOIUVAWNGA-CQSZACIVSA-N 444.510 0.136 50 20 ICGD Cn1nc(-c2ccccc2)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1Cl 734746900 SYJWOVPZKBPEFC-UHFFFAOYSA-N 447.908 0.775 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCCN2C(=O)CNC2=O)CC1 734825434 ZXJUBKIZAOZUOQ-UHFFFAOYSA-N 426.474 0.048 50 20 ICGD O=C(NNc1ncnc2[nH]cnc12)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 740746770 LQMVUYZNOHVRLM-UHFFFAOYSA-N 436.885 0.945 50 20 ICGD Cc1cccc(N2CCN(CCC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)c1 746014018 XPIHBCJVFYKALC-UHFFFAOYSA-N 434.504 0.944 50 20 ICGD COc1cc(C)nc(NNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)n1 746630361 IUAXSSMACZRQSL-UHFFFAOYSA-N 427.508 0.696 50 20 ICGD C[C@@H](O)c1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 749348452 OLJPTZUAOOEDGJ-OAHLLOKOSA-N 448.549 0.897 50 20 ICGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 749404303 ZCEAHKOAAIGDPS-UHFFFAOYSA-N 433.446 0.554 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@@H](C)OC)c(=O)n2Cc1ccccc1 749567042 FIJZEZYHERWDEK-CQSZACIVSA-N 442.476 0.000 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 757994240 KARROLPEEYANQF-JTQLQIEISA-N 425.446 0.648 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC2=O)c(OC)c1 758827568 KMEFWPUGERJMHN-LBPRGKRZSA-N 427.417 0.238 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCc2c[nH]nc2C1 758905881 MIZISQKSCLBCGY-HNNXBMFYSA-N 432.506 0.696 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCCC[C@H]1N1CCOCC1 763539835 XCEKFHFJBZPHDA-GDBMZVCRSA-N 438.554 0.567 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc(N(C)C)c3)c2)CC1 763760440 PAQUOKFSIWQOQV-UHFFFAOYSA-N 438.532 0.900 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 763997386 KOARYZWOETUJCZ-HNNXBMFYSA-N 446.485 0.224 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)CC1 764298422 ROEQBPRFCVVXBM-UHFFFAOYSA-N 433.900 0.913 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765755092 DMOCPEXENHZFMG-AWEZNQCLSA-N 430.958 0.286 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 767937184 GQRNFHSAYFPWLO-ROUUACIJSA-N 428.497 0.374 50 20 ICGD COC(=O)Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771608593 VYDXKXCIEZVESD-UHFFFAOYSA-N 439.877 0.681 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 773411658 PNXMGHLJCNHNSL-OLZOCXBDSA-N 435.568 0.701 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)c1 778592080 FJOBFWMTUMDZSJ-FPLPWBNLSA-N 427.442 0.922 50 20 ICGD COc1cc(Br)c(F)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 779831102 YPYVWPCZIQPHAB-SSDOTTSWSA-N 445.288 0.341 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1 784004299 FAIKPFWWYGTZAB-UHFFFAOYSA-N 426.458 0.509 50 20 ICGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004420 XGELWZZBJNGWPX-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD O=C(CSCc1nc(O)c2c3c(sc2n1)CCC3)NNC(=O)CN1CCCC1=O 789856709 JUYRYZVJBWIWDX-UHFFFAOYSA-N 435.531 0.889 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ccc3ccccc3c2=O)c1 790466470 PRJNABQNKIZNRS-UHFFFAOYSA-N 428.470 0.713 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 792033844 NSISOKDDYYWZIK-GOSISDBHSA-N 441.362 0.851 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cc(C(=O)O)ccc1F 794598210 CPLNDCJYRXOIHR-UHFFFAOYSA-N 425.394 0.760 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567347 GYAHBVCLXLMGFK-BXKDBHETSA-N 444.407 0.746 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cnn1-c1ccccn1 914750150 WULXNXNKBCEIPI-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)c2ccccc2c1=O 915059665 LBAPVBIOSCREJI-UHFFFAOYSA-N 446.489 0.631 50 20 ICGD C[C@H]1CCCN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 916452252 FMRQAJCFMLKEJO-INIZCTEOSA-N 439.586 0.376 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916736493 UZAZGAOCZRDISF-UHFFFAOYSA-N 445.563 0.693 50 20 ICGD O=C(NCc1nnc2n1CCC2)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1323179523 GBFPYAUEBILDBF-UHFFFAOYSA-N 433.494 0.153 50 20 ICGD O=C(NNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1csc(N2CCOCC2)n1 1323990780 IVZMARPCIVPZMY-UHFFFAOYSA-N 425.414 0.950 50 20 ICGD Cc1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1778325545 KBZGBYJVLMXMMI-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779031533 TUAJXHVMTCXFOD-NRFANRHFSA-N 442.476 0.554 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CCO2 1779035005 ZLDMUPZZWZJOPI-IMWIBFENSA-N 449.511 0.932 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(F)n2)C1 1779673672 RFIUPINQDSYEIP-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782403218 GLBDMVUYBRNUBL-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632290 QAXWVUZLJKKPDM-FZKQIMNGSA-N 441.326 0.976 50 20 ICGD O=C(C(O)O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783017588 BEZSWRMREFXWHX-RDTXWAMCSA-N 427.295 0.133 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nonc3c1)CCO2 1783935598 WGQGLLLVKHUIEV-HXUWFJFHSA-N 430.465 0.039 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784094785 ROIADMPGEQNLPK-DBWAAGBOSA-N 430.929 0.545 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785496360 ISQWVCYZDQMIHN-JTKSSWDBSA-N 431.493 0.377 50 20 ICGD O=C1C[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)CCN1 1788149298 HLUQJJONLWUKIM-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611755 ZDYKCBPCUZVALD-STECZYCISA-N 435.550 0.233 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790577948 GVZQWHIXJSFDSW-GTAWCEEGSA-N 445.564 0.613 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796190417 WHJRKVIJWKXTIC-CVYSASLGSA-N 442.321 0.598 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C)C2 1796440882 CVYVSALZILQOOH-NSKVJOCLSA-N 441.492 0.066 50 20 ICGD O=C1Cc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)ccc2N1 1797979154 KVZSFAAIBCMGCE-REPLKXPHSA-N 433.273 0.427 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)N1CCCC1)C2 1798440691 KWHLPNGFRKDWGF-MUJYYYPQSA-N 442.520 0.340 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2nccs2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369768 UQZLLIWFOHOYGH-SJLPKXTDSA-N 436.302 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1810303716 VCQIWWJBVAMWBK-QRWLVFNGSA-N 448.487 0.366 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H](O)c1ccco1 1814458198 PGXNGNORNSSTCS-QFBILLFUSA-N 438.249 0.722 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)[C@@H](O)CCl 1814871337 MUPWBQIDVUIFCE-KBPBESRZSA-N 447.945 0.427 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncs1)CC2)c1ccc(B(O)O)cc1 1815339787 OTVZQUYXBSQXMV-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473828 BRYUXHRICPNFDL-GUYCJALGSA-N 441.297 0.310 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)CC1 1818963978 SWCKPATYEVGAKE-HOTGVXAUSA-N 440.932 0.166 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnn1 1821721721 WEDHSIBWHAEBID-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410708 QLEHPPWCTPIOIC-DZGCQCFKSA-N 435.529 0.690 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826834780 ZJWDWPZLZDREMP-KGLIPLIRSA-N 447.565 0.961 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)N1CCN(C)CC1 1830364030 XWTNKYDDVDIDCT-DYESRHJHSA-N 445.004 0.344 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831816089 RNOZPAIGETWQEL-PBHICJAKSA-N 447.305 0.797 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832812519 AKFPDSHWTBEVKA-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1832820471 OAGISNAVFOYTHU-FFWXCITRSA-N 443.504 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3=CCCS3)CC2)CC1 1833510588 TWEZODOQFDTEMP-UHFFFAOYSA-N 437.610 0.952 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cn1 1833806507 CFTXXCRPERCVSL-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819254 MJHWEUFSFSQSSV-SFHVURJKSA-N 443.342 0.741 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823152 LGPNZGGPCDMINF-RDTXWAMCSA-N 448.358 0.533 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835495801 WSROYLLNVKQROG-APWZRJJASA-N 437.859 0.872 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667469 FDOBIBDSXCGYJA-FQEVSTJZSA-N 428.961 0.990 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938422 UVFRQQRHZRMTER-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836364170 GGPSWXFPSVKZRC-WAIKUNEKSA-N 427.354 0.598 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949681 STHLRZJSLCJATF-KBXCAEBGSA-N 426.857 0.262 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838982882 COEIKLUWEGURCK-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199985 BHNHILHKFPOJEY-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc2c[nH]nc12 1839509969 PLCUSJVGPKIFIL-UZLBHIALSA-N 436.896 0.541 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840029698 NACRLZUTCFEKCD-HACGYAERSA-N 434.331 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840150395 JRODHSPUYBSNBD-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD COc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185933 WUYPJEDPWHLKMJ-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1F 1840681225 QGHHDDURZVDPGC-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385681 IUNWTOCIJVNVOV-ATVHPVEESA-N 431.493 0.333 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847564593 XRGUDBWEUJARNL-XDQVBPFNSA-N 429.901 0.714 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564598 XRGUDBWEUJARNL-XUXIUFHCSA-N 429.901 0.714 50 20 ICGD CC(C)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)CC1 1848050863 VDZJGCWYBQYUSV-OALUTQOASA-N 428.537 0.621 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 727497506 VPSFAVLKIKBRNA-UHFFFAOYSA-N 445.505 0.239 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(OC)c1 729969503 YFRZDRGWCNCESF-UHFFFAOYSA-N 431.405 0.872 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)c(=O)n(C)c1=O 732578153 HJMNOUBVWAHUFN-OQFOIZHKSA-N 433.218 0.947 50 20 ICGD O=C(NCC[S@](=O)Cc1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 735089315 OSPXUCLKOLSAAM-LJAQVGFWSA-N 437.547 0.873 50 20 ICGD COCCC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 746239555 HBBFCELJJRDZDG-UHFFFAOYSA-N 438.550 0.265 50 20 ICGD O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NNC(=O)C(=O)N1CCCC1 748240307 FNDYWPZFRZXKKD-UHFFFAOYSA-N 436.515 0.861 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 748689642 QBMYLNRBIGSHTL-UHFFFAOYSA-N 431.521 0.024 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752687865 BOTCWRBFSUMHLU-UHFFFAOYSA-N 448.910 0.795 50 20 ICGD N#Cc1cc(Br)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 754262352 ZHQWFTHFUKAEAE-UHFFFAOYSA-N 448.262 0.920 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cn1 755452208 FRYJMCRGHXCEEC-UHFFFAOYSA-N 429.481 0.560 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc(N2CCCS2(=O)=O)c1 755888899 HZDVIMSWUIHYJP-UHFFFAOYSA-N 442.461 0.669 50 20 ICGD C[C@@]1(c2cccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c2)NC(=O)NC1=O 756219713 IVYPNFUEXBVANK-NRFANRHFSA-N 435.396 0.231 50 20 ICGD CN1CCN([C@@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)c2cccs2)CC1 758675598 PRANMWFZXLKEQX-AWEZNQCLSA-N 431.522 0.401 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)ccc21 760443323 WWWOMIYCHILJBO-UHFFFAOYSA-N 447.492 0.388 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccc2=O)cn1 760456297 WSSFZXVXYDNHQT-UHFFFAOYSA-N 449.515 0.544 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c1 763618907 IEMKNEAJZSHJQE-UHFFFAOYSA-N 435.440 0.816 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763809242 TVHUONKIBCBQMF-UHFFFAOYSA-N 446.423 0.688 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 763978930 DKVAAJAYNZWGBU-UHFFFAOYSA-N 439.881 0.852 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 763980398 FQSUFSSBMWGEJN-UHFFFAOYSA-N 437.478 0.500 50 20 ICGD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 763995801 ABKWOIKGWOVOED-GFCCVEGCSA-N 440.478 0.412 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764298408 RGOLOYPRLVIPSB-QGZVFWFLSA-N 440.460 0.286 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2OC)cc1 764375207 WOYPLYZXMVFGPI-UHFFFAOYSA-N 436.490 0.903 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1OC 764392652 JWDIUXCRRORVIP-UHFFFAOYSA-N 432.458 0.681 50 20 ICGD Cc1nn2cc(S(=O)(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cnc2c1Cl 766324317 ZMLQNSGAWYHHJF-UHFFFAOYSA-N 426.798 0.928 50 20 ICGD C#CCN1CCC(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 766661770 YYNMXAFDUKWNGB-UHFFFAOYSA-N 431.968 0.950 50 20 ICGD CC(C)c1ccnc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 767300154 ZWDRKIZIVCMCRC-UHFFFAOYSA-N 436.480 0.752 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 773183779 XJHZKCRKJZVTHQ-GOSISDBHSA-N 425.507 0.288 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 773252272 SHLZTSRTPOEBDD-SECBINFHSA-N 438.849 0.647 50 20 ICGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 778566654 LMYRBHKDVOMDSI-UHFFFAOYSA-N 443.865 0.908 50 20 ICGD CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 780175432 BPZUJUARAHDTJN-QVKFZJNVSA-N 447.444 0.779 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 780972134 ZFSNRBJUKQITDK-NSHDSACASA-N 432.474 0.555 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)c2ccccc2c1=O 792015763 FWZRIUOWVZUNQZ-NRFANRHFSA-N 425.445 0.099 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCN2CCN(C)C(C)(C)C2)c2ccccc2c1=O 799680650 RPKDHMIQMSEDRZ-UHFFFAOYSA-N 443.552 0.947 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 801106501 WBMGLJDKNVHBJB-CYBMUJFWSA-N 443.485 0.598 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccc(F)cc1 802104134 UVNYEIVPQPMSIJ-CQSZACIVSA-N 428.380 0.827 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 802577867 GQCUVEUWJIATFE-UHFFFAOYSA-N 437.359 0.695 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 804988799 IRLMVGLAGCHQPU-UHFFFAOYSA-N 443.503 0.469 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(=O)c1ccc(Br)cc1 806787746 MOEAXCVHXMFCMQ-JTQLQIEISA-N 434.312 0.887 50 20 ICGD CN(C)CCn1ncc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1-c1ccccc1 807082106 MNWAGWHBGHIBKP-UHFFFAOYSA-N 435.488 0.698 50 20 ICGD CN1CCOc2ccc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc21 807092607 DFNPZTXCKNNNCB-UHFFFAOYSA-N 437.500 0.734 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCN(C)CC3)CC2)c(C)c1 807380089 OQOBHCOLPZWMRG-UHFFFAOYSA-N 437.566 0.692 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c(OCC(F)F)c1 810387466 XJSBMXDHKXUPOY-UHFFFAOYSA-N 438.362 0.897 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2cc(F)cc(F)c2)CC1 810413002 BEALFMIIJAXCSE-UHFFFAOYSA-N 441.460 0.818 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2ncnc3[nH]cnc23)cc1OCC 810424181 KJSMWSJZRUTUNR-UHFFFAOYSA-N 435.466 0.572 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)n[nH]1 810584361 QFABJGIARNIWOK-UHFFFAOYSA-N 448.461 0.430 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729594 PYTIPLGRHUBAGG-QGZVFWFLSA-N 436.538 0.877 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1 813788947 DIMRBUQDYNYITH-TWOQFEAHSA-N 438.550 0.887 50 20 ICGD CC(C)C(=O)Nc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccn1 815480399 UFPAGKMMBDHGSW-MRXNPFEDSA-N 442.428 0.820 50 20 ICGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1Br 815693169 NYIOTMRVGSRVOV-VIFPVBQESA-N 439.245 0.837 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915684906 MHAKDMZVXLNSKW-MAUKXSAKSA-N 426.408 0.892 50 20 ICGD COC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 919687339 SYCRADZVWBLGNO-UHFFFAOYSA-N 436.446 0.613 50 20 ICGD COc1cc(C(=O)NN/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)cc(OC)c1OC 920977816 OSYYMXAXVHVYLD-XYOKQWHBSA-N 436.490 0.730 50 20 ICGD CCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 921041796 OXHVSWRCAJOUOK-UHFFFAOYSA-N 428.511 0.845 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1n[nH]c2c1CCCC2 1318905640 XCNUKIGNNWLHCP-PBHICJAKSA-N 427.461 0.822 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1cc(C2CC2)nn1 1319201881 ZVNRXBWQSDKUBN-UHFFFAOYSA-N 431.928 0.774 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1780097233 TWQYHLWNWDTMLF-FQEVSTJZSA-N 448.432 0.052 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781233834 NPXHETDKOCRVIV-IXDOHACOSA-N 425.309 0.668 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1781899687 CLJNUXOOKGABFN-UYAYXHRUSA-N 430.343 0.952 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1783881622 LKWHAIODAGWSME-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1783937687 NBPXZAMJPBYQBM-YCRNBWNJSA-N 428.533 0.993 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc21 1783947805 IRJHAFHGDRHXIR-KRWDZBQOSA-N 430.292 0.264 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)o1 1788610921 DZAFHWYBJCFLSQ-JVPBZIDWSA-N 441.488 0.423 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790214216 MMEDWWGWCKMGNW-MVWHLILJSA-N 427.841 0.493 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1790961939 YEOJCIYVCJINQN-MNXVOIDGSA-N 427.299 0.949 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792867043 TXWBDRSSFYICCT-NLLTUHKPSA-N 428.327 0.465 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792989445 IAJKERBDOHVFQN-WISYIIOYSA-N 437.298 0.700 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)ncn1 1793726431 VIVSHXFGFHLOMZ-MGGJZVGQSA-N 425.449 0.568 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3C1)C2)c1ccc(B(O)O)cc1 1795737019 TXEFWTHCGKCSCY-QXUYBEEESA-N 448.328 0.375 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc[nH]1 1795783996 LXVDYARKTIAJOT-FFZFCVPESA-N 440.504 0.671 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CC(c2ccccc2)=NO1 1796187973 QICPRBOLVFTOAG-IIZPIQPGSA-N 447.300 0.811 50 20 ICGD N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc(Cl)c1 1796191269 RKSDZEBEZWTWKH-IYWMVGAKSA-N 441.724 0.972 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321620 IKGXZTXSNGCXSM-UMPJEAMMSA-N 437.928 0.627 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797956264 NEXOIGXDEWHCRH-ISIBIEBGSA-N 437.613 0.829 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CNc2ccccc2O1)c1ccc(B(O)O)cc1 1798365624 XABJVIWAANGYKX-YRPNKDGESA-N 449.316 0.881 50 20 ICGD Cc1cccn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c12 1801152646 SOEUVTBUMASLQZ-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802241231 XBMGBAXRAAHCJE-LXTVHRRPSA-N 447.960 0.727 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1810542418 YMMUIKGNHTYSAU-GJYPPUQNSA-N 435.601 0.532 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713882 YEGHRJDPPGMQAY-IEBWSBKVSA-N 440.972 0.639 50 20 ICGD CC(C)(CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1814698795 BZUKCJPSURTHPX-OAHLLOKOSA-N 429.949 0.953 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348405 MKKXNDBHHSPKCZ-ABAIWWIYSA-N 429.307 0.664 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361704 NTIQYACBWHSGDK-HZRUHFOJSA-N 437.290 0.485 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361971 WNTKQVQHWWVYAO-NHYWBVRUSA-N 429.307 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnn2)[nH]n1 1819403659 ZGYGOZSGBOEUGZ-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC=CO3)sc2C1)c1cccc(B(O)O)c1 1819731098 NFBKIMGNOQEROF-ZBFHGGJFSA-N 427.291 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829817953 LHPNZXWMQVAMBJ-GOSISDBHSA-N 435.525 0.773 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723947 AGEGFSYKYQSGHG-SGTLLEGYSA-N 430.864 0.096 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725172 LUVXNTNTPIKPHY-KDOFPFPSSA-N 432.304 0.334 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)CC1)[C@@H](O)CCl 1833312322 PYBHGDPIEXUWGP-SFHVURJKSA-N 434.928 0.743 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833673960 GWSICRMAAGGUAJ-MGPLVRAMSA-N 433.278 0.711 50 20 ICGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)s1 1834853297 WVBQCXNLSIYCEU-HNNXBMFYSA-N 429.974 0.560 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656461 LLOLESCJEGJAFD-IAQYHMDHSA-N 437.360 0.243 50 20 ICGD C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)C1 1835734898 VYRWDZILKCNVGQ-UHFFFAOYSA-N 440.548 0.837 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836035859 KSOVFVNAEMWDTA-APWZRJJASA-N 429.876 0.473 50 20 ICGD O=C(Cc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836158503 MARCLAXUUMYWOA-WBVHZDCISA-N 430.274 0.771 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C(F)F 1838704114 ZARFXZGTSIPIRY-GUYCJALGSA-N 436.843 0.256 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839963218 DWCAMVARLQEDCQ-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1840151330 YNWZYBLELNOKGY-VQIMIIECSA-N 429.901 0.544 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1840929678 IVJHHMRYVHXPCJ-BEFAXECRSA-N 446.386 0.958 50 20 ICGD CCOC(=O)C1(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1845896044 DWQQHCZSNNKMHT-OEAKJJBVSA-N 429.477 0.667 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1846385282 MDFMHQICFQCIKP-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 18368668 GNKSQYNLKURLDD-UHFFFAOYSA-N 435.458 0.795 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 27790934 SCIBTRJTXZEIIF-UHFFFAOYSA-N 428.376 0.955 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 726282217 KXTMOOPTTONDEI-OAQYLSRUSA-N 425.445 0.959 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc(-c2cccnc2)no1 728075736 MFKAELMAGAAYEH-UHFFFAOYSA-N 433.450 0.248 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 728941868 DAHPIUQKWNGYTR-UHFFFAOYSA-N 449.514 0.785 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2c[nH]nc2C)o1 732082976 SAKIQPJCWRQIKI-GFCCVEGCSA-N 439.450 0.102 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@H](C)O1 732261891 OWGRLOVHZBJJBK-STQMWFEESA-N 432.568 0.100 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(CC(F)(F)F)C1=O 732572542 GFVFOAUQJQXDLF-LBPRGKRZSA-N 429.403 0.187 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 733885053 QLGRCSAUTXLUJO-CQSZACIVSA-N 428.493 0.149 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3ccccc3oc2=O)CC1 735116789 FTWQIECZDONVQV-UHFFFAOYSA-N 443.485 0.881 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 743258138 ZHIICSOXBIPOPD-YFKPBYRVSA-N 435.267 0.149 50 20 ICGD CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)ccc21 744585141 AWBCCMDHGUOJEZ-UHFFFAOYSA-N 442.453 0.498 50 20 ICGD O=C(COC(=O)c1ccccc1Cn1cncn1)NNC(=O)[C@@H]1COc2ccccc2O1 745526051 YULSEKMOIUMEOQ-SFHVURJKSA-N 437.412 0.471 50 20 ICGD CC[C@@H](SC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 746855670 BABHYIVSYCGVNU-MRXNPFEDSA-N 428.580 0.590 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(N(C)C)c3)nc2)CC1 748466382 HVKALNYXBMTIOB-UHFFFAOYSA-N 447.565 0.910 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)c1nnc(O)c2ccccc12 749839045 YRKJMHLBEWFYEC-UHFFFAOYSA-N 441.878 0.790 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CCc2ccccc2)c1 749851379 DOKNQACDXANKSB-UHFFFAOYSA-N 432.502 0.564 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3cc(Cl)nc(N)n3)cnc21 753450333 SVTQNXRQJDYSJW-UHFFFAOYSA-N 428.638 0.061 50 20 ICGD CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 755083038 JNBJSHIGOCEGEP-UHFFFAOYSA-N 436.538 0.939 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3cccnc3)c2)CC1 756213654 YTQKCHMKBWQFDL-UHFFFAOYSA-N 432.506 0.413 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1ncc(F)cn1 760911911 ITQSJJQFSCJHNF-UHFFFAOYSA-N 436.469 0.372 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)C1CCN(S(=O)(=O)c2cccnc2)CC1 762847390 IUNFPRXAOHHNDX-UHFFFAOYSA-N 447.521 0.252 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763551261 LKCQVDJILIUTMF-UHFFFAOYSA-N 427.417 0.355 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 763645749 ZLFMLGYBRPLIIY-UHFFFAOYSA-N 448.501 0.864 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCO3)c1 763718781 MKWDKQQWDQWIGR-UHFFFAOYSA-N 432.458 0.272 50 20 ICGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2n1 763922687 ZAQTYMMILOCZBW-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2s1 763999483 XFMXVAMZTROBIW-MRVPVSSYSA-N 428.517 0.539 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 764230719 KGMMUJXESAAUGS-LBPRGKRZSA-N 425.511 0.089 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)Cn1ccc2ccccc21 764243209 PCNQNYBZPCXIJW-UHFFFAOYSA-N 428.470 0.972 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1C#N 766547073 IYUPNRNQYYAMCK-UHFFFAOYSA-N 428.879 0.791 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC(CNC(=O)c2cnn(C)c2)CC1 766878344 BLVCSJIVTOTKKS-UHFFFAOYSA-N 426.521 0.560 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(CCNS(C)(=O)=O)cc1 767274540 JHRUKWUVSSJNIF-UHFFFAOYSA-N 447.513 0.634 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 767851187 OWANFSXGZHTRDW-UHFFFAOYSA-N 427.298 0.404 50 20 ICGD CCOc1ccnc(N2CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 767913004 PTESVWQNHYPQDE-UHFFFAOYSA-N 443.464 0.757 50 20 ICGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccc(Cl)cc1 772180523 WUCLHKAKBONNAK-GFCCVEGCSA-N 446.895 0.503 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 774010719 YVPYIIVLKNKYDW-LLVKDONJSA-N 434.836 0.758 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 775333692 HRNKXXMCYYWFEU-ZDUSSCGKSA-N 439.563 0.743 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 775334647 QALJJFWIMXFMOV-AWEZNQCLSA-N 429.502 0.920 50 20 ICGD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004580 YIQWRMNIZDZCJT-UHFFFAOYSA-N 431.474 0.859 50 20 ICGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c[nH]c2ccccc12 785182625 OLXZAIMHUBDCBB-LBPRGKRZSA-N 437.460 0.256 50 20 ICGD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 787857330 GPUHIXOHRRNXBE-MRXNPFEDSA-N 431.541 0.619 50 20 ICGD CCOC(=O)c1oc2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2c1C 788749444 UZQLMLRVTDPYJG-SNVBAGLBSA-N 447.491 0.165 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1OC 794577042 QBNUSZPEUJDOHE-UHFFFAOYSA-N 443.503 0.906 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1OC 796999378 RJVDZOSYMIXECB-UHFFFAOYSA-N 429.385 0.653 50 20 ICGD CC(C)Cc1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797369478 ZBWOVKUSVANNOX-UHFFFAOYSA-N 428.449 0.687 50 20 ICGD O=C(COC(=O)c1ccnc(NC(=O)C2CC2)c1)NNC(=O)[C@H]1COc2ccccc2O1 803904026 YLFLTHBZJOLNKD-MRXNPFEDSA-N 440.412 0.574 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1cccnc1 804028636 QTYJLAOKPRGKBN-UHFFFAOYSA-N 433.490 0.888 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 807371270 DQIRGXUAGUSENG-UHFFFAOYSA-N 435.524 0.319 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 807379243 WBENQIAPLLWNJM-UHFFFAOYSA-N 448.343 0.301 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1Br 807977178 WWWDCXDIQWBGAA-UHFFFAOYSA-N 440.279 0.372 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)cc1OC 810353862 VXUKVGGJHHLASN-UHFFFAOYSA-N 446.485 0.784 50 20 ICGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)cn1 815780362 VIFLJSNQIHIHGU-OAHLLOKOSA-N 427.417 0.607 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 819657665 FPTZWCNGOISVAL-ZDUSSCGKSA-N 439.513 0.892 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c2ccccc2c1=O 879513554 JLRYTDMTFOOEBZ-UHFFFAOYSA-N 449.427 0.400 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 914708350 WUNSXMZFJFJWMA-HNNXBMFYSA-N 441.454 0.757 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 914846873 YNEXPROFQZCBNN-LBPRGKRZSA-N 430.914 0.786 50 20 ICGD Cc1ccc(-n2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)nn2)cc1 915287337 HERLXEYNJHPIFB-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 915642332 BZPRLXGCSCDOTD-UHFFFAOYSA-N 437.474 0.913 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c1 916552663 IKBICGTXRTVANC-FQEVSTJZSA-N 431.470 0.870 50 20 ICGD CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 916577605 QCPXPLDEBJALAE-UHFFFAOYSA-N 426.543 0.881 50 20 ICGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 918084902 KSWDOPUSVJKARB-CQSZACIVSA-N 427.527 0.251 50 20 ICGD Cc1cc(-c2noc(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)ccc1F 919889059 VENMVRRPNDJGJZ-GFCCVEGCSA-N 425.442 0.634 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 920379201 PTDZMSRDMNXLDA-AWEZNQCLSA-N 444.535 0.322 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1779032521 RFMRFKSBXCIPPL-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779068008 ICOGKJHZVRPDIN-YOEHRIQHSA-N 449.298 0.096 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779476966 NWFGWSVANLPFAL-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1nn[nH]c1C(F)(F)F 1780194869 XMIZGYPHENGFGA-IQMDTDKHSA-N 439.822 0.551 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1 1780507354 LNTMOVNCJLAMLF-NRFANRHFSA-N 446.671 0.916 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934053 VJWDFRSQSOWSHA-JOCHJYFZSA-N 431.537 0.610 50 20 ICGD COC(=O)CCCCCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784049055 NHJPDMGDGGIXAW-NRFANRHFSA-N 440.541 0.313 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccc1F 1785626823 FPIJDJQPZZRGAJ-MPGHIAIKSA-N 435.500 0.495 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786983023 LGWUSMILBDWWLH-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(Cl)ccn1 1788848074 JCCOADCMDCDXEL-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)ccn1 1788884194 SQZGETVFTPYSSM-SNRMKQJTSA-N 438.488 0.296 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21)N1CCN(C)CC1 1789797491 IOCQPRLIQUGEPD-WDHIOAMHSA-N 449.423 0.838 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1791057450 DDEDBXWLTKNRNB-VRUQUDLLSA-N 425.327 0.845 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1792789304 ZNCIERDTSCNRPN-RCLSDMTESA-N 438.289 0.360 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870652 HRHDOOFIQJACAJ-IPVBOJNNSA-N 440.342 0.898 50 20 ICGD COc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792982451 DLONKVFRWUKBRE-HIRMHNASSA-N 426.897 0.401 50 20 ICGD O=C1CN(c2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](O)CCl)C4)n2)CCCN1 1794839823 ROLUXBUKRNNCFB-IVSAIRAKSA-N 449.939 0.259 50 20 ICGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)cn1 1795111387 HJEYJBNDZSBRKI-DRXBFXEBSA-N 427.299 0.864 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732456 HIBBMPOXUJYFRC-JLVBRIDZSA-N 443.696 0.240 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1 1801563201 JYPZQEGLIZRXPM-WGCSPTNMSA-N 433.534 0.606 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@H]1c1cccnc1)[C@@H](O)CCl 1803143128 UVXTVCMGFCJNGV-OBJOEFQTSA-N 437.802 0.793 50 20 ICGD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803298407 SYDPDJJPKKNBPR-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2csnn2)[C@H]1c1cccnc1 1803754054 PDGIATIBHYEKNI-RDTXWAMCSA-N 431.522 0.626 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2F)[C@H]1c1cccnc1 1803972948 UCTPSMFEZQICMQ-LFVTVUPYSA-N 426.452 0.758 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1805920671 ZXDXYGSPAZKHGO-DYESRHJHSA-N 441.536 0.991 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1 1810299558 SKIVJYVCAIOWCD-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncs1)CC2)c1cccc(B(O)O)c1 1815354940 ISHOKIIVYYOZCZ-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471291 KXEAWPIDHCENSF-OAHLLOKOSA-N 438.253 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCS(C)(=O)=O)n[nH]1 1822972973 OUQXRYPCXKAURJ-AWEZNQCLSA-N 442.542 0.210 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 1828926090 YITJHFJSXNSKQQ-LPHOPBHVSA-N 429.521 0.955 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1830357599 AWWHLTZQOZKCTK-FQEVSTJZSA-N 438.912 0.516 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831478467 VVTHVNHNPCETBO-MSOLQXFVSA-N 438.352 0.594 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccs3)CCO2)C1 1833936302 KFMFXUXCVUKREE-FQEVSTJZSA-N 445.501 0.130 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798081 ROCPZXWAMSQBKI-HXUWFJFHSA-N 447.410 0.506 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837713071 FRHDALRIKAQUBJ-LJQANCHMSA-N 441.557 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838674597 NLEXBZZNIBNKQF-BEFAXECRSA-N 427.885 0.419 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839153863 UAMLQZKAZZQNPF-IAGOWNOFSA-N 449.339 0.012 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202168 WJBPYEUKZYAWOC-RDJZCZTQSA-N 447.305 0.716 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840150913 SKYBZTMXCQXWMO-RXVVDRJESA-N 445.988 0.817 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840153745 YXHABHUMQYFRAX-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1840156829 VHJORNHXCVBRKI-TWOQFEAHSA-N 425.913 0.895 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263234 IZWICIAAHMISOI-HNNXBMFYSA-N 437.504 0.507 50 20 ICGD COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C4)(C1)C2 1846114094 BGSJMDUNORHBPP-ZVHZXABRSA-N 441.488 0.667 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726382024 LFXBMTYZXMWRKE-LBPRGKRZSA-N 437.449 0.749 50 20 ICGD CC(C)(C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 726495557 CMVIYBDVRSBTLG-UHFFFAOYSA-N 429.481 0.886 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 726499352 FWRZKEUZWXFYBH-ZFWWWQNUSA-N 438.462 0.090 50 20 ICGD C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728340901 QSBIGJWUWSWPBF-KDOFPFPSSA-N 447.488 0.992 50 20 ICGD O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728846533 ZNZDLAVZNAXCCS-UHFFFAOYSA-N 436.472 0.917 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 728873513 XXLCUTAYEJSYDP-UHFFFAOYSA-N 429.458 0.117 50 20 ICGD CCn1nc(C(=O)NN=C2CCN(CCN3CCOCC3)CC2)c2ccccc2c1=O 731557170 CNHGUQQXCSALKH-UHFFFAOYSA-N 426.521 0.930 50 20 ICGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 732891305 CQNFQCFFDMWXES-UHFFFAOYSA-N 446.551 0.240 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(C(=O)N(C)C)CCCC1 733336141 LVQNWCBASAHCDG-UHFFFAOYSA-N 438.554 0.881 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(Br)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744371561 BBSWPZIODQQZHS-YPCYXAEESA-N 436.262 0.761 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 744499109 GTXDVGTXCQMMPY-INIZCTEOSA-N 436.424 0.924 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 757995163 SDVWJSTZBNCBHL-VIFPVBQESA-N 428.450 0.151 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 758046323 HICCUXMZAIVFQU-WCBMZHEXSA-N 437.305 0.431 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2ccc3c(c2)C(=O)NCC3)c2ccccc2c1=O 758683302 LFTSKRKRGUBKEC-UHFFFAOYSA-N 434.456 0.847 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758740144 YSFTYSYVRJVIMW-UHFFFAOYSA-N 439.476 0.089 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(-c3cccnc3)c2)cc1 759687901 CVAAAAXZFJDYIS-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc(-c2ccccc2)no1 763045185 UNTPNLAPPICZHQ-LLVKDONJSA-N 430.446 0.646 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1=O 763532767 VSZHQSINNKQOEL-BLVKFPJESA-N 440.501 0.342 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCOC2=O)cc1 763575479 WNJVHCSRGWYLCW-MRXNPFEDSA-N 426.385 0.569 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 763774297 AVXCFEFFNVFHRH-UHFFFAOYSA-N 443.460 0.604 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 763917611 ZHWPVWBVKCBSIA-UHFFFAOYSA-N 434.416 0.189 50 20 ICGD O=C1CCc2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc2N1 763947895 DPSNHCBYEBSYHY-UHFFFAOYSA-N 434.412 0.862 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccoc2)ccc1F 764160262 QPASQSWPYLAJAM-UHFFFAOYSA-N 426.426 0.895 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 764205065 YNAANGSIHOXZHA-UHFFFAOYSA-N 449.443 0.797 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Oc1cccnc1 764234702 ZJTGDVBBBZEUBI-GFCCVEGCSA-N 435.462 0.206 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643709 ROPMHFHAZKDYLO-HRAATJIYSA-N 438.484 0.820 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)[nH]c21 768262661 LUFLOOQUDOUHCV-UHFFFAOYSA-N 428.434 0.208 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1 771443055 HHEPZLRQIRSGBO-HNAYVOBHSA-N 440.522 0.284 50 20 ICGD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccccc1 777780175 XDFYSADSGWIJCR-HNNXBMFYSA-N 444.351 0.862 50 20 ICGD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1CC(F)(F)F 777833363 WDGMWJTZZVMBHK-VIFPVBQESA-N 436.250 0.224 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 778445848 UCCCBDBTCKVMOJ-CYBMUJFWSA-N 446.460 0.747 50 20 ICGD CCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)c2ccccc2)CC1 781306314 ROSACKKQHOMPLH-MRXNPFEDSA-N 436.534 0.837 50 20 ICGD COC[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)OC 781395703 DSPSIEOQSSVJCP-OAHLLOKOSA-N 428.511 0.467 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1F 782896351 GJUTVJKJGGAZSV-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 783929196 PWGFVBNHGJMEAZ-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(Br)cc1F 784002423 FEJFULCQFLBOSA-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 792797516 FFEANSSKNCEEHM-CQSZACIVSA-N 446.485 0.086 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 797369173 PUONQELNTVOKGX-UHFFFAOYSA-N 440.460 0.694 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sccc1S(N)(=O)=O 800574266 MGCOHNNPNZGPIZ-UHFFFAOYSA-N 431.521 0.072 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1OC 801105184 AQABGPBBNIWXIS-UHFFFAOYSA-N 449.485 0.962 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc(Br)cc1 801996082 FIMXVOHBPIHWLX-UHFFFAOYSA-N 437.316 0.946 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 807566351 VKUNWJPJYUZXBA-JGVFFNPUSA-N 434.486 0.772 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)OC(C)C 808081498 PCMHORAKMTVEHB-LBPRGKRZSA-N 433.508 0.240 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 812731763 TWWNAEQEDHETSL-IBGZPJMESA-N 431.474 0.748 50 20 ICGD C[C@H]1C(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCN1Cc1ccccc1 814877464 OWXMFJDULLGRGK-HNNXBMFYSA-N 437.504 0.590 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 815692130 JXALUYHXMMWUNN-LBPRGKRZSA-N 431.884 0.880 50 20 ICGD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815692560 UUDORVDBJPCDBI-ZDUSSCGKSA-N 443.464 0.831 50 20 ICGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693386 VRGPUPUVDGGREC-SECBINFHSA-N 439.245 0.837 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 916562675 RZGRKMFBYNJVCF-UHFFFAOYSA-N 439.384 0.594 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc1C(=O)O 917720709 YVZLLBIGLSPZDL-UHFFFAOYSA-N 447.516 0.628 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c1 919806283 WICLHWPYDGWLJI-ZDUSSCGKSA-N 436.456 0.972 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 1119053082 BPVWYHSRGGBQHO-UHFFFAOYSA-N 432.527 0.912 50 20 ICGD CN(C)N(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1324799093 YLZRHQXXVLUMEE-CVEARBPZSA-N 440.522 0.039 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780167816 AFGUBJXMHAEAFE-HSZRJFAPSA-N 449.272 0.004 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)c1 1780866702 HBTKXLJNTKVZJV-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784085811 PKAKQKDRIBXTHU-FZDIXFNVSA-N 439.940 0.711 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc(-c2ccccn2)nc1 1785509051 ODDPFLIJZLCLDX-PLYYQAHHSA-N 445.907 0.732 50 20 ICGD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785879341 AWAVEINEVWTYCT-YYWHXJBOSA-N 437.305 0.231 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786981703 HDYRTTVDQMCIIF-BVSLBCMMSA-N 447.300 0.340 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3onc4ccccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786985010 JJEPTZQZVGFZAR-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc(Cl)n1 1789042203 DJSCDPKKROYQRP-DEQVHRJGSA-N 432.304 0.937 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(C)c1 1791290628 DMHPBIPAXTVXBQ-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791293998 WUCFAXKEPMKOCQ-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1F 1794815467 WPGUNGLDRFYSAP-CLLJXQQHSA-N 441.467 0.990 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1795117051 KDMNNOYULLEKSI-KOFHJDLBSA-N 425.327 0.889 50 20 ICGD Cc1c(F)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1N 1796187246 SPLLYDPYOMFVME-BJWYYQGGSA-N 425.269 0.962 50 20 ICGD O=C(CSc1ncccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189244 PHHFRKOQSUNYOJ-BJWYYQGGSA-N 426.307 0.201 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccoc1)C2 1796446459 XVTJBDINUXKJOL-NAMOIKSGSA-N 441.488 0.936 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1c(Cl)ccc2c1OCO2 1796937360 ATOOCZAUNVVCCW-KVQFHVITSA-N 431.272 0.872 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1797956266 NEXOIGXDEWHCRH-WNSDDWSPSA-N 437.613 0.829 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)CCOC1 1799332692 AYOHYQDROMERLX-IMDDZUEWSA-N 449.907 0.794 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccncc12 1799914570 LBCQGVWVZDLDMX-FAQVEIGNSA-N 439.516 0.811 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1-n1nccn1)c1cccc(B(O)O)c1 1800579571 ZLQNEJJFRIQRDE-REPLKXPHSA-N 445.288 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1800970304 BPIHYNDGRRRXAM-DGADGQDISA-N 445.944 0.839 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1801009215 SAINHYCKPOSSJB-FAQVEIGNSA-N 446.935 0.654 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1801380471 UJYFZHOHIKDDSW-MJRMRKOOSA-N 427.343 0.952 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1804626396 NFDVMTIURATASJ-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369739 UBUSTCPCUWFSMB-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1812349507 NCJZUIKNRYOMQX-DEYYWGMASA-N 435.868 0.262 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071987 WYUHONNKUHEDQF-HRAATJIYSA-N 433.509 0.414 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)Br)[nH]n2)C(=O)N1 1815668415 ZIBWBOIQQMLQIC-NOZJJQNGSA-N 445.249 0.644 50 20 ICGD CC(C)(O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795276 LQGYFOVUPJWBAG-JTQLQIEISA-N 432.506 0.528 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028304 GXPVXHCZBXLYGY-GXTWGEPZSA-N 446.346 0.472 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089671 LCHZLAGIWAUDIY-WDEREUQCSA-N 431.946 0.682 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826866688 MIHDHVSRHLHEES-GOSISDBHSA-N 440.309 0.792 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1830455937 AWWNRXHDVOSKAC-WIYYLYMNSA-N 435.908 0.547 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c[nH]1 1830724507 HYRIBDLPLPVDTA-QRWLVFNGSA-N 427.929 0.982 50 20 ICGD COc1cc(C)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733839 VHOKVGXFYYEDRP-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831022926 BATZTYCYZUOOJO-SUMWQHHRSA-N 448.314 0.069 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1831646824 NBNMXNHJVLDOPH-SCLBCKFNSA-N 428.873 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1831875572 ZCZPQBGUCSLVNW-ROUUACIJSA-N 435.569 0.505 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833214358 UHRWCGHUJNUZOP-UHFFFAOYSA-N 426.993 0.663 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835292780 LDGPVHZFVFVDMM-UWVAXJGDSA-N 426.897 0.430 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835708313 XAKOLVJBDVFSMF-JOQOYGCGSA-N 441.326 0.321 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)s1 1836082032 SRVDBRKPBFFUJO-SFHVURJKSA-N 442.614 0.697 50 20 ICGD CCOc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1 1836199983 CTKDYVGCULDRGW-QGZVFWFLSA-N 439.944 0.660 50 20 ICGD CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1836716854 VFVZREGNIBHHQH-IBGZPJMESA-N 445.004 0.222 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836880655 CVCODEJNGBGSTE-HXUWFJFHSA-N 448.394 0.933 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837770299 YXFGVQLCOHTYJB-SJKOYZFVSA-N 437.802 0.848 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151946 JATNRUAPKIYBIP-JEBQAFNWSA-N 438.352 0.546 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198172 WEGGMNLDGKJAGS-DOTOQJQBSA-N 447.305 0.647 50 20 ICGD O=C(c1cncc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202826 QVOYEVUWOJDKSL-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839532998 NJPJVWFNEIHQGA-WMLDXEAASA-N 445.289 0.590 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839597990 LLOBCODCIBDQPX-AUUYWEPGSA-N 440.859 0.372 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840032475 ZOCGOTJYWVCOST-PXAZEXFGSA-N 429.267 0.493 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840034596 QWQHCMMSPMEICI-FZKQIMNGSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840152204 AUVRDPJZGKPRPS-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1840481509 YKIIBDGRQVGRIF-HXUWFJFHSA-N 425.913 0.929 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccnc2OCC2CC2)C1 1842269924 KFDLHIJDIGLBGA-UHFFFAOYSA-N 435.289 0.681 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)Cn1cccn1)C2 1843415537 NFAMUJLNCBEYDP-DSDXLYQOSA-N 425.493 0.857 50 20 ICGD CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844693315 RBRQDYKIWRXAPG-UHFFFAOYSA-N 432.433 0.863 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1847007281 GQQHNLCSOCFZFP-IRXDYDNUSA-N 425.888 0.676 50 20 ICGD CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847336746 CAZYNMVVSCORLE-OALUTQOASA-N 431.537 0.959 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1847597802 OJRNFJGBNCEINC-MLNNCEHLSA-N 434.301 0.478 50 20 ICGD CCn1c(NNC(=O)CNC2=NS(=O)(=O)c3ccccc32)nc2ccccc2c1=O 10680157 CHESNLJWIHQEBC-UHFFFAOYSA-N 426.458 0.598 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1 10963050 SVDSXTGFIDYSML-MRXNPFEDSA-N 433.490 0.498 50 20 ICGD O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785897 LZRILUSWHSHVPA-JTQLQIEISA-N 438.531 0.378 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 17203341 TUCIOHZXQYQRHW-UHFFFAOYSA-N 430.486 0.958 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2F)cc1OC 26691519 VYKALIPYGDAEHZ-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 726076793 CXSGRPYJIDXKLF-UHFFFAOYSA-N 439.357 0.584 50 20 ICGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=S)NCCc1ccc2c(c1)OCCO2 726745631 VUMWUVIDPRFTTI-UHFFFAOYSA-N 439.501 0.849 50 20 ICGD O=C(NNC(=O)c1cc2c(s1)CCC2)NNC(=O)C1CCN(c2ncccn2)CC1 728959922 SIDXBZAMXAPODM-UHFFFAOYSA-N 429.506 0.919 50 20 ICGD COC(=O)NCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 730768575 CMPPSVRTCGWILX-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474474 OMPSENZWOLKJPP-KGLIPLIRSA-N 446.501 0.412 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734241418 DFVMZXWXLVEBKY-UHFFFAOYSA-N 443.526 0.382 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)Cn2nnc3ccccc3c2=O)cc1C 736750440 DPSNTMJGOYTVHU-UHFFFAOYSA-N 429.458 0.728 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NN=c3sc4ccccc4n3C)CC2)cn1 741275107 BXVRGAVNRMAZKD-UHFFFAOYSA-N 449.562 0.942 50 20 ICGD CCOCCCn1c(NNC(=O)C(C)(C)NS(C)(=O)=O)nc2ccccc2c1=O 742077267 XFEUZNFYBXOUHS-UHFFFAOYSA-N 425.511 0.594 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744582134 PERLKPSMXPXIRI-UHFFFAOYSA-N 444.469 0.403 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)Cc2ccncc2)CC1 747580047 QKMHQKWOWRWEML-UHFFFAOYSA-N 434.497 0.472 50 20 ICGD Cn1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=O 747942435 VODLLSQOSUARFI-UHFFFAOYSA-N 449.489 0.096 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C)CCC1)c(=O)n2Cc1ccccc1 749887945 MXMRMLDLOMKEEM-UHFFFAOYSA-N 438.488 0.766 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)sc1S(N)(=O)=O 754170748 TZFQKHOBRDRHFZ-UHFFFAOYSA-N 447.878 0.676 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 756827306 RAYFOHIMXMXERB-UHFFFAOYSA-N 436.494 0.085 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncn1 758127255 RQKLKYMIHCEFST-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cnn1CCO[C@@H]1CCCCO1 760119193 BSGGQGVZQJFUBD-GQIGUUNPSA-N 437.541 0.995 50 20 ICGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 761168658 KGHPQCIYTDOMHC-UHFFFAOYSA-N 435.547 0.436 50 20 ICGD CC[C@@H](C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 763042875 CWOHECVCZJZCJV-SUMWQHHRSA-N 432.502 0.794 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccnc3)cc2)C1 763495461 WEEIAASZYWRWTA-CQSZACIVSA-N 445.501 0.902 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 763569797 BVKAGFFOVSJUFI-GOSISDBHSA-N 449.423 0.218 50 20 ICGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763718749 MEPGWRKBEMESBG-UHFFFAOYSA-N 448.501 0.873 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)ncn1 763884737 XJJXBVHRYIIVJJ-VIFPVBQESA-N 438.238 0.801 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1F 764162182 AFDXOCRITURXME-INIZCTEOSA-N 425.380 0.199 50 20 ICGD Cc1ccc(COc2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)cc1 764233297 UOPKUURHSITZMJ-CQSZACIVSA-N 448.501 0.598 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1C(=O)OC 764278515 ZKIAIMRUPDDJHO-UHFFFAOYSA-N 445.384 0.130 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 767463990 ZKISMYUDIGZJTK-INIZCTEOSA-N 437.928 0.524 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670163 RENSGWJLQXAWAL-NSHDSACASA-N 434.405 0.987 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C 774007511 AVAUNYXSBAYBHN-LLVKDONJSA-N 436.856 0.144 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 774945907 LSULTKNAUOGYDX-OYYNGEPBSA-N 428.397 0.746 50 20 ICGD CC(C)NC(=O)CN(C)CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204153 BWLHLPPCCVXOQY-UHFFFAOYSA-N 428.534 0.079 50 20 ICGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778436670 MWJXCLIZXIYFAG-GFCCVEGCSA-N 429.495 0.777 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779832447 RRISRKDELMEWHJ-UHFFFAOYSA-N 443.441 0.666 50 20 ICGD O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780964826 UFXJHZFYLSKSPL-PWSUYJOCSA-N 449.386 0.902 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782832134 VPNJKACOOIQCTP-UHFFFAOYSA-N 434.474 0.869 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CC1 785061630 ZJIVRXTXDQZIDA-UHFFFAOYSA-N 449.515 0.805 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1 793064878 FYEQSQVKLHREOT-UHFFFAOYSA-N 429.458 0.826 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OC)c(C)c1OC 796991846 JULMHQBDWQHQBR-MRXNPFEDSA-N 445.428 0.947 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797000386 CKZGGFZWZYOTFQ-MRXNPFEDSA-N 428.376 0.872 50 20 ICGD COC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 799232469 FDSNABHKJQMRSC-UHFFFAOYSA-N 448.461 0.514 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1 800623312 LQZFDABTHUOQMN-UHFFFAOYSA-N 445.863 0.144 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 802441333 KOAKODLDOHHGJT-UHFFFAOYSA-N 434.474 0.263 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1 806975296 SSJUJWWRXSPRFH-GFCCVEGCSA-N 426.433 0.294 50 20 ICGD COC(=O)c1cc(Br)cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 812534342 KLFKABYVQWWIOV-LLVKDONJSA-N 434.268 0.367 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)sc2C1 815690996 BVAOKAIONNVAKL-RYUDHWBXSA-N 431.522 0.988 50 20 ICGD CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 815691935 FWLGQVYYXCWUHV-NSHDSACASA-N 429.437 0.832 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OC[C@H]3CCCO3)cc2)c(=O)n(C)c1=O 839409978 AXXIBZMJSTVCGT-OAHLLOKOSA-N 433.490 0.279 50 20 ICGD CN(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 914604330 JHNABHFQBTWION-CQSZACIVSA-N 433.527 0.716 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c2ccccc2c1=O 914846384 JJWWCAQYGQACMK-UHFFFAOYSA-N 434.387 0.693 50 20 ICGD O=C(NCCCn1nc2n(c1=O)CCCC2)NNC(=O)c1nn(-c2ccccc2)cc1O 916650252 XGRPFBCBMMWNEX-UHFFFAOYSA-N 440.464 0.307 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884032 DICXYMIRDZPGAF-HIFRSBDPSA-N 438.506 0.207 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 920826653 NKHUSOMNHBDDNP-UHFFFAOYSA-N 428.898 0.508 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1334244010 USNOXLTWTOGZEN-UHFFFAOYSA-N 426.477 0.208 50 20 ICGD Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Br)C3)n1 1779241486 PJUQZTWRFRCIDH-AKWBHNSASA-N 447.309 0.524 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779474475 RMUMKFYFKPEIPU-YBOAYWMSSA-N 447.536 0.626 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780822574 OJAYLPNTQPABOR-CKEIUWERSA-N 428.331 0.966 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781651422 AFTKPZQUIXMAQF-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1O 1781983329 RKRPLJONSLQCGF-QFIPXVFZSA-N 448.520 0.607 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1782179030 GDSAYCOUSJYLRT-PJIJBLCYSA-N 442.900 0.329 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3c1CCC3)C2 1782213383 NYXCQOAZYBZXSW-XMSQKQJNSA-N 446.552 0.330 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782337507 QHUYLVPHZXPFDE-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccnc1Cl)CCO2 1783933562 QDJFRIAIGVXHIL-FQEVSTJZSA-N 437.928 0.480 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1783936219 JAEOKVGKMRJZAR-IBGZPJMESA-N 441.891 0.691 50 20 ICGD COCCOCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143904 UWKMOJQKTGQUFA-UHFFFAOYSA-N 426.278 0.777 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21)[C@H](F)Br 1789926519 BJFVPQOJGQQRNY-GMOBBJLQSA-N 436.307 0.567 50 20 ICGD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793440038 UOXJHFFLOCJKAY-RBGFHDKUSA-N 447.960 0.991 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCO1 1793770032 ACQMWZZAHLVDCM-MVWKQCAASA-N 445.520 0.669 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1c(F)ccc(O)c1F 1796189481 SLFKWFWLDJGMPK-QDMKHBRRSA-N 430.216 0.916 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796893520 DDBPNRXRXFGNRJ-KLHDTODFSA-N 428.493 0.799 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797786807 JGDKEENBCAMOLY-ZHCJQAHYSA-N 432.901 0.478 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799256503 MRAVQNKMXZDASK-AYRXBEOTSA-N 437.896 0.652 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1805704021 ZVFGENIVYLCOAV-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369826 WYHFOIYMTOVJSO-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnn4ncccc34)CC2)C1 1809978610 YZBJONAZHBMFMO-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1810294683 MCOQTEAADLLOTL-UTKZUKDTSA-N 432.484 0.813 50 20 ICGD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811073353 ANHXQGIIIIMRQB-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(Cl)Cl 1813077798 LSMQFCPSTDXZSA-JJRVBVJISA-N 431.320 0.542 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768543 DNPDDIVTIIJVBL-BDAKNGLRSA-N 440.846 0.034 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nc1)CC2)c1cccc(B(O)O)c1 1815360892 QIXZSSWOIRMMAA-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)nn1C 1816426568 IWPYONXBXBFMEA-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2O)[nH]n1)c1cccc(B(O)O)c1 1817477040 XDTJAELALHIKAO-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD COC(OC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401774 RXHPUZKWPZYSLZ-CQSZACIVSA-N 431.453 0.333 50 20 ICGD CC(C)(CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022636 HQCYADNHMUUJKV-OAHLLOKOSA-N 429.949 0.953 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1822555911 ADDJYGVGRIHAFX-ZIAGYGMSSA-N 436.582 0.770 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)CC1 1826220401 NSAVBBOQHNRRIC-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)no1 1830536047 XAQLTTSRPHLMAP-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733445 MLQRQROMOZKGFV-WRWLIDTKSA-N 426.897 0.510 50 20 ICGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738589 QGXZXKBRVWMSQD-DNVCBOLYSA-N 434.917 0.166 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994461 HRWGQOGHBHDMJQ-KUHUBIRLSA-N 434.917 0.428 50 20 ICGD C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CBr)CC2)CC1 1833264382 FFZKEJSRLMQSSJ-KBPBESRZSA-N 431.375 0.724 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834819462 SPIJENQIIVWYNC-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837012577 ZIWDSMZYCOQZFY-MGPUTAFESA-N 436.896 0.887 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(C)C 1837715270 GHWLLDRLAJXIQO-UYAOXDASSA-N 444.601 0.882 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1 1837919146 JQGZSJYDLUDVIV-GOSISDBHSA-N 436.264 0.634 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732816 BHGCPFVFVBDMRT-ACJLOTCBSA-N 439.310 0.987 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1838835581 OTPCXBOGVASTEG-CZUORRHYSA-N 449.277 0.189 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154368 MEGZKTBEDPCBKE-MORSLUCNSA-N 436.336 0.300 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199402 OAESDHKBMLOZIT-CXAGYDPISA-N 449.321 0.415 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839541075 MLEHKVRFCRYKDU-UZLBHIALSA-N 434.880 0.300 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840151578 GUULORDCTVCAIT-LPHOPBHVSA-N 428.917 0.063 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840153295 JRAXHUDROBJWTQ-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc(C)c1O 1840674156 FCZXFPPBZGCPFT-OXQOHEQNSA-N 426.897 0.679 50 20 ICGD CCOc1cnc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)cn1 1842200596 VBKCNYLNCHLMNE-AFUMVMLFSA-N 439.476 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnn(-c3cccnc3)c2)C1 1842268728 MXIQUJIGEXKISY-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl)C(C)(C)O 1847568228 HPHWYUMACOFEOU-IGQOVBAYSA-N 433.933 0.452 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 22685372 CCCXGLXOWCNFDK-MRXNPFEDSA-N 435.506 0.418 50 20 ICGD CC1(C)CN(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCO1 726262456 FQEGEKAYBVUISI-UHFFFAOYSA-N 432.569 0.640 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1CCS(=O)(=O)C1 728179403 KLJOJEIWFJDMAD-MRXNPFEDSA-N 442.497 0.984 50 20 ICGD O=C(COC(=O)CNc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1COc2ccccc2O1 728333783 AICWHDPCEXUOJA-MRXNPFEDSA-N 430.373 0.537 50 20 ICGD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728341478 ZBFIIWRFYSAWGX-PBHICJAKSA-N 447.488 0.944 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cn3ccc4ccccc43)cc2)CCN1 729497393 NLFXUEIALMHMHE-UHFFFAOYSA-N 448.483 0.744 50 20 ICGD O=C(COC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NNC(=O)c1ccccc1 731102887 RKYGHVLHTMKOAC-UHFFFAOYSA-N 434.792 0.982 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCCS(C)(=O)=O)c2ccccc2c1=O 732891520 LGIIYLFXKVZUJJ-UHFFFAOYSA-N 437.522 0.965 50 20 ICGD O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 732975176 CSMNAXWBNINXPC-AAEUAGOBSA-N 439.881 0.869 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 736695090 QMZKRUWJPYZLIW-UHFFFAOYSA-N 435.448 0.046 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 736756984 IJJUPDBXKBSRKM-YDOWWZDFSA-N 445.497 0.730 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 740850177 XKXVRJZEZKDTRU-CQSZACIVSA-N 437.884 0.997 50 20 ICGD O=C(COC(=O)CN1CCN(c2ccccn2)CC1)NNC(=O)c1cccc(Cl)c1 741038112 YNUINOPPZQDDET-UHFFFAOYSA-N 431.880 0.861 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)c1 741849530 HPIHSOLDXLKMBE-UHFFFAOYSA-N 439.457 0.838 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C 742077370 ZMBFNEYEEOHDGH-LLVKDONJSA-N 433.494 0.094 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743823468 PELDOGRSPMMJNI-MUIFIZLQSA-N 431.518 0.623 50 20 ICGD CS(=O)(=O)C1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCCC1 744620009 DHKQZAGCDALCGS-UHFFFAOYSA-N 431.536 0.508 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NNC(=O)N2CCOCC2)c1 745992026 RTJHEWXJZWDDAP-UHFFFAOYSA-N 439.538 0.614 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc[nH]1)c(=O)n2Cc1ccccc1 747662981 FXGFRVJJIIYBDA-UHFFFAOYSA-N 435.444 0.217 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCc3ccccc3)CC2)cn1C 749798827 KFJSYFONDRDLBR-UHFFFAOYSA-N 433.534 0.909 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 750170263 JXIYPAYNNIEXMJ-UHFFFAOYSA-N 441.849 0.371 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 751547755 ZRPFUFXBLUJECY-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1C 751839443 MUJYPZLSNCDFIH-UHFFFAOYSA-N 430.442 0.441 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752180733 MWIYSIYBRZWPPP-AWEZNQCLSA-N 427.504 0.430 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 752237788 GDBGNHRTJHAZSD-MRXNPFEDSA-N 448.501 0.881 50 20 ICGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 752503976 TYXVLWRIDFBOFT-UHFFFAOYSA-N 432.462 0.709 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)C(=O)NC1CC1 755061110 DCOCAYGZKXWDAO-SECBINFHSA-N 432.296 0.285 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 756891446 NBNUGRQNFMZWBL-UHFFFAOYSA-N 449.489 0.181 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(C(N)=O)nn2)cc1 757407442 JSWKNEPEMJRLGY-UHFFFAOYSA-N 434.478 0.322 50 20 ICGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNc1ccc(C(N)=O)nn1 757408302 RCVFVSVAIBAVMR-CYBMUJFWSA-N 431.478 0.316 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574904 LXEPTFNNEOLKFM-KRWDZBQOSA-N 442.428 0.080 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 763574921 MCPRBCWFLMPOJV-IBGZPJMESA-N 438.440 0.912 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1C(=O)N(C)C 763575582 YARBFWLHKPFUPS-KRWDZBQOSA-N 426.429 0.623 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1 763645742 YXSPUZDDZZVTGC-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 763662672 ZHURXRDNMHHGFK-LLVKDONJSA-N 428.401 0.580 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1F 763717901 CGYXCMWFFCFKBB-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1Cl 764005641 DOQDNVJWRUKIOF-UHFFFAOYSA-N 432.820 0.871 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(F)cc1F 764006987 WVKSCLSSHQPNOG-UHFFFAOYSA-N 435.339 0.922 50 20 ICGD O=C(CCN1CCOCC1)Nc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1F 764067127 YSAUKFYVSLRQFL-UHFFFAOYSA-N 449.483 0.763 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 764152620 TXPVXGRTHQIYLJ-MSOLQXFVSA-N 438.440 0.894 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc2)CC1 764200122 VNHBKHOLXJMPAQ-UHFFFAOYSA-N 433.509 0.504 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1-n1cnnn1 764411375 WDDCNSWJQLUWFG-UHFFFAOYSA-N 433.787 0.863 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)n(C)c1=O 765313690 UIKPFPZABONDEB-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD O=C(NNC(=O)c1nccn2c(Br)cnc12)c1ccc(-n2cnnn2)cc1 769615544 CTCBFGSKNRVSSZ-UHFFFAOYSA-N 428.210 0.542 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897523 JXBLKVGCVJFUSL-WBVHZDCISA-N 449.939 0.436 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 775194471 YLFHIGDJRGYURR-CYBMUJFWSA-N 449.489 0.957 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 775333690 HRNKXXMCYYWFEU-CYBMUJFWSA-N 439.563 0.743 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c2ccccc2c1=O 776314256 IUIYVEKMGMQIFK-LBPRGKRZSA-N 425.367 0.731 50 20 ICGD Cc1cc(C(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 782656211 VDDZKSURHBTCIC-UHFFFAOYSA-N 441.448 0.487 50 20 ICGD CC(=O)N(C)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783265742 WVSFEHLWXJQJED-UHFFFAOYSA-N 448.505 0.833 50 20 ICGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)ccc21 783428089 SZBCUFCVRMRHJU-IBGZPJMESA-N 436.490 0.341 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 783803610 BFCHVRCNPGGIJE-AWEZNQCLSA-N 437.386 0.531 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786667006 UEWIEUBNCOWUNZ-GZTJUZNOSA-N 428.470 0.794 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)CNC(=O)c2cccnc2)nc1 792648667 GLYJAISIENGWAY-UHFFFAOYSA-N 428.449 0.944 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCC(=O)c3cnn(C)c3)CC2)cc1 793680862 HIKUZCMEPILLQS-UHFFFAOYSA-N 426.521 0.657 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1 796998606 JPTPTFNSNBIHKY-UHFFFAOYSA-N 442.428 0.291 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)n1 797370963 WSFIXLXASNEHQR-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1=O 798308547 CUBPICAIPFWIBT-AEFFLSMTSA-N 429.521 0.722 50 20 ICGD O=C(NNC(=O)c1cncc(-n2ccnn2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 801795893 AXMVTPFGBIHYRF-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cc(Cl)ccc1O 802597665 WOLHKZWYGJLCHH-UHFFFAOYSA-N 428.832 0.879 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](F)C(F)(F)F)CC2)cc1 810591696 GANBKKYSUAWCDX-CQSZACIVSA-N 440.419 0.349 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n2nnnc2C)c1 818011728 ARSTXLJRAMHAOD-JVCXIRSZSA-N 436.428 0.976 50 20 ICGD O=C(CNc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 823327391 IQUBEDXXCZMMCI-UHFFFAOYSA-N 441.307 0.987 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NNC(=O)c1cccc(Cl)c1 848387795 UMXOXGBLXUBLPL-UHFFFAOYSA-N 443.840 0.762 50 20 ICGD Cn1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1=O 912985295 BQPVSTMLYKVLNJ-UHFFFAOYSA-N 440.481 0.939 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 913632460 PHKOVNQNIWEOBE-UHFFFAOYSA-N 436.490 0.897 50 20 ICGD COc1cc(C=NNC(=O)Cn2nc(C)cc2C)ccc1OCC(=O)N1CCOCC1 916345004 KCFRWUIAURJLLN-UHFFFAOYSA-N 429.477 0.896 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 916383301 BXCSBQJNOFQYDJ-UHFFFAOYSA-N 443.482 0.508 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)NC2CCCCC2)c1 918125480 CQLLNPBSOCTMEB-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 918758211 AVACRVDFDLBSCK-LLVKDONJSA-N 435.437 0.595 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cncn1-c1ccccc1 1318412665 JFLXCXQLEMTKMN-LJQANCHMSA-N 440.504 0.347 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 1319252839 PPHIWWXXDWVVRX-IRXDYDNUSA-N 439.538 0.804 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@](C)(Cl)CCl)C1)C(=O)O 1780713309 QERQOSXUMRHXLH-XHSVMWQWSA-N 438.352 0.799 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098799 NONCMSLBRZOKBA-HDMKZQKVSA-N 431.375 0.236 50 20 ICGD CN1CCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc2C1 1782564216 IYOKCNSUGPGPGL-SFHVURJKSA-N 430.336 0.966 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782672702 HWXYJWLESCTJMQ-INIZCTEOSA-N 429.271 0.176 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)CCO2 1783878406 DTHAIXHNLOCXPF-QOIOWGMHSA-N 428.913 0.826 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788629131 HVRJASKZCVIZFR-MCZMQQNQSA-N 444.305 0.947 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]2C1 1790912687 MTCUIUWXJSGZQP-UBHSHLNASA-N 449.527 0.330 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791601747 UQXSDWJPVFNKAO-SFHVURJKSA-N 449.508 0.558 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn1 1796191024 PFSYAMMTGZIVMO-BCDXTJNWSA-N 437.261 0.114 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc(O)n2c1CCCC2 1796191883 KLJYUCCALLYBJB-BJWYYQGGSA-N 438.293 0.170 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)sc1C 1797751904 YBIOLCSMTOMAEL-YWVIFJGQSA-N 444.517 0.275 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798196155 NRYDVZJCIUPPGB-OBAMXFLESA-N 439.476 0.122 50 20 ICGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1798524308 AJMGJSDMEAEFKJ-RUGDWHBFSA-N 449.407 0.661 50 20 ICGD Cc1c(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)nn1C 1798714559 VSNYBAIJWWVXJE-NOHGZBONSA-N 449.733 0.294 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c(F)c1 1799546222 NOZLVWZBEXQSLR-IVWMJMPLSA-N 443.435 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)Cc1ccccc1 1801799849 WCISVNITVLSYHY-CLWJZODNSA-N 437.500 0.541 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cnn1C 1805928636 GKRXLNJOTSWWJF-UWJYYQICSA-N 441.536 0.816 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807104241 FQYPFGORVKTEIA-VQIMIIECSA-N 449.276 0.273 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363654 NGSJLKQCRLKQGK-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369128 BAUURNABHKJPEM-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncccc1F 1811121712 KDPHCXJMDFUTJU-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1813070133 GHRYEPBWEMQDFH-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1 1817471541 RLTJOOHBGPRFBW-SFHVURJKSA-N 436.281 0.601 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817471619 TYTRDQHTXYEBIY-GOSISDBHSA-N 435.249 0.810 50 20 ICGD Cc1n[nH]c(C)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820310656 SDTVJMMWIWQVDO-AWEZNQCLSA-N 439.306 0.702 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1822371958 VSJKDJCOBUNXQZ-GXTWGEPZSA-N 437.884 0.971 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1826004642 PVQLLJNRDVIEAF-WDEREUQCSA-N 425.898 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cnn(C)c1)CC2 1826092009 ILSKRERJHNYTAR-CYBMUJFWSA-N 433.538 0.404 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058606 YIQNGNGFWSQRQB-NRFANRHFSA-N 437.305 0.547 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3)sc2C1)c1ccc(B(O)O)cc1 1827284386 JXTLNGLOIPQBBE-DZGCQCFKSA-N 431.348 0.944 50 20 ICGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc(Cl)cc1 1830683134 SQAKBCGVTRIEDR-KXBFYZLASA-N 445.299 0.579 50 20 ICGD CCN1CCC(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833313474 IGMUQICFODTCTO-IBGZPJMESA-N 429.005 0.890 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827613 HCYPLSOUSGCSPL-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903002 YVBOBLUWQBJVKO-PXAZEXFGSA-N 445.314 0.594 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988473 WJLIPRSUVZWQBT-MRXNPFEDSA-N 440.928 0.932 50 20 ICGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836043542 CXNBCHITEUCRPD-HIFRSBDPSA-N 436.303 0.833 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720547 WOWDIEHZSJKZHR-QZTJIDSGSA-N 431.961 0.890 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837969700 UQOZYZXCZBREGD-LJQANCHMSA-N 426.542 0.693 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1838833231 IUIADGKGVMRHDK-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839147808 CXYJCKDAPNMVDN-BEFAXECRSA-N 426.901 0.753 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nc2nccn12 1839549808 LLAUUCGVDUWXQY-GOSISDBHSA-N 442.303 0.911 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc2C1 1839621864 WNTYHZRKBQKZPM-VQIMIIECSA-N 443.907 0.323 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630394 VMWPMFCUPBEATD-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840150624 OQRVRVLXGNDDHP-BEFAXECRSA-N 427.885 0.876 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840153005 ASKBRMXGUSMEHZ-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894647 ZWXQLWQJEUOXNK-HNNXBMFYSA-N 426.366 0.157 50 20 ICGD O=C([C@@H]1CCCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015239 VPRKDHUIWAYPEU-QFIPXVFZSA-N 447.344 0.848 50 20 ICGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 12703107 MAQHNSXKZNIWLP-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 14057540 MDDYKXPGWXAYQR-HNNXBMFYSA-N 434.449 0.963 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(S(=O)(=O)N(C)C)c1 727609719 NNMLJZOILFQYBK-LBPRGKRZSA-N 437.478 0.351 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1F 728176805 RSZXINOHCBFKOP-AWEZNQCLSA-N 435.543 0.962 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732261307 CCTFTPYXRDLZPO-TXEJJXNPSA-N 437.888 0.585 50 20 ICGD COCCOCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 733123615 WAZQPFJLJFPOSQ-UHFFFAOYSA-N 437.474 0.920 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 736756729 GJMIMXRURRNQSS-UHFFFAOYSA-N 436.490 0.788 50 20 ICGD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NNC(=O)c1cccs1 738325814 IOZTXKORMSSPEY-UHFFFAOYSA-N 425.555 0.994 50 20 ICGD O=C(NC[C@@H](O)c1c(F)cccc1F)NNC(=O)c1csc(N2CCOCC2)n1 740903086 JNGSISPVCUJRHE-CYBMUJFWSA-N 427.433 0.936 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 742481533 ZFLPPYMUKPTXDP-LTDCPUDJSA-N 445.472 0.796 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCNS(=O)(=O)c2cccs2)cc1 743829912 GTHUGTWZRQCWSS-UHFFFAOYSA-N 446.532 0.673 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)C(C)(C)C)c1 745896454 YMJDBHWDUGHFIJ-UHFFFAOYSA-N 434.540 0.094 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 746096519 JHIJOZFLUJWOEZ-KRWDZBQOSA-N 438.440 0.452 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 751210573 HFFMASQCGRIGNY-ODXCJYRJSA-N 449.533 0.762 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cnc(N3CCN(C)CC3)nc2)cc1 755524724 MRLKCNOFSQLCMG-UHFFFAOYSA-N 445.549 0.308 50 20 ICGD CC1CCN(c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])CC1 758031377 WFTRNTNBGZIVKM-GFCCVEGCSA-N 427.483 0.530 50 20 ICGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 760130965 IQJLGSUERUMAQF-IRXDYDNUSA-N 442.538 0.855 50 20 ICGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 760356634 OYJIMOGNDRIXEP-UHFFFAOYSA-N 431.517 0.281 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 760449292 BSHUCCNGAQGPRR-UHFFFAOYSA-N 426.495 0.902 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 763685440 VUJQBCFEUJLIBX-UHFFFAOYSA-N 448.863 0.972 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 763943296 DOKFNGSIESQXOO-UHFFFAOYSA-N 434.412 0.264 50 20 ICGD N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764003125 YVHPMJWQSZNRJW-CQSZACIVSA-N 442.453 0.871 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764155090 WDZRMNPZLAFDRO-KRWDZBQOSA-N 433.424 0.432 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764160769 HZJKTEVJQQCJLL-HNNXBMFYSA-N 438.440 0.447 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1OC 764169949 XJJWXOMDQMRDQG-SFHVURJKSA-N 429.429 0.810 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764178971 KVWQLTYLFOFIAB-UHFFFAOYSA-N 445.520 0.749 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 764259807 JRCJKAGIXXKBRS-UHFFFAOYSA-N 434.460 0.869 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O 764288065 CYLKXMFSSUWHEE-UHFFFAOYSA-N 427.461 0.651 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc(S(C)(=O)=O)c1 764413540 UEXQYDLFIMTKLO-UHFFFAOYSA-N 447.469 0.514 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 765392031 ZXKALFTTZZHNTF-HNNXBMFYSA-N 434.449 0.195 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 766264888 RWEPJAOIRZRCGW-UHFFFAOYSA-N 436.494 0.891 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1sccc1S(=O)(=O)N(C)C 767345545 KYFNYNXDOACSIB-UHFFFAOYSA-N 439.515 0.854 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)ccc1F 768635259 WXTVZUBMYLWHGX-UHFFFAOYSA-N 431.467 0.903 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770638374 YVPPFJYQEUCVCV-OAHLLOKOSA-N 437.522 0.702 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F 773676920 KQVHBVVLESNMFU-UHFFFAOYSA-N 439.425 0.965 50 20 ICGD COC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 776875529 ZRQNHWLEJCRVBW-CQSZACIVSA-N 433.513 0.890 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 777142946 DWUSSQRFXFONBV-SECBINFHSA-N 435.300 0.090 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 778434270 XKSVXGSOJKENPQ-ZRDIBKRKSA-N 426.495 0.639 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3cccc(O)c3)CC2)cc1 778997608 GNQUNHYYSIAOLQ-UHFFFAOYSA-N 439.516 0.396 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCS(=O)(=O)C1 783428538 VYHHOBUBESMXDF-IBGZPJMESA-N 425.507 0.629 50 20 ICGD Cc1ncccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784229678 HEGITUQDDNIEIX-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)cc1OC 791464375 DTBABZPIZMFASI-LBPRGKRZSA-N 444.448 0.585 50 20 ICGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)n1 793021903 ODPYVGLKGUGFGN-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CSCC(=O)N2CCCCC2)cc1 802066390 WCVRLLKKQDRGEO-UHFFFAOYSA-N 428.536 0.989 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1F 806988303 XUJWDWWMQLVZJP-UHFFFAOYSA-N 440.428 0.923 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1S(=O)(=O)N(C)C 807392152 SWPJHTFNTAQPHB-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 810387471 XOOITLHWSXGOHG-UHFFFAOYSA-N 434.403 0.766 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 810585219 OEWJTFLMGSZDHF-UHFFFAOYSA-N 430.471 0.749 50 20 ICGD O=C1C[C@](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)CN1 811237109 SBVHMKDSENDRAN-HXUWFJFHSA-N 426.385 0.357 50 20 ICGD CCOCC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 812433060 JKDZTNFTYKVDLN-UHFFFAOYSA-N 442.538 0.714 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 815752163 GORINMMTRNYYHF-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD COc1ccc([C@@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)N2CCOCC2)cc1 915896435 DQQBOPKYBSNWIV-MJGOQNOKSA-N 426.539 0.450 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 916517170 WBDYDDMZUPRBQT-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD CN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 918089400 DNHYRTLORFLWJH-UHFFFAOYSA-N 447.517 0.540 50 20 ICGD N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 918779374 PRYQYUNLHXALTG-UHFFFAOYSA-N 448.447 0.576 50 20 ICGD CC(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 921179295 AZQDFBLMHVFQJQ-SFHVURJKSA-N 427.413 0.467 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccsc3)CCO2)C1 1779028065 BRBRUHCTDDXPFK-WODVNSBQSA-N 441.513 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1779032506 LYKPSFQBJFNXGD-OAQYLSRUSA-N 425.445 0.148 50 20 ICGD O=C(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)Nc1ccc(F)cc1 1780878376 GJXKTJGTQKTIQV-KXBFYZLASA-N 427.860 0.584 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334447 NYLZAZBISINOFZ-LRDDRELGSA-N 430.230 0.944 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781760029 JOFCKHTWONBJFO-SUMWQHHRSA-N 428.258 0.920 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)OC)C2 1782172048 MCWZUFZHZVANKA-PMUMKWKESA-N 436.958 0.660 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782208879 NTDPFLVPVICEGD-WTVLQJKYSA-N 434.917 0.370 50 20 ICGD Cc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccn1 1785123393 FUDXMCOXIHFHEG-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786983872 CKRPIQDLNHJRAC-QRTARXTBSA-N 448.737 0.988 50 20 ICGD O=C(Cn1ccccc1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143542 CUPYPCQXGDRDIP-UHFFFAOYSA-N 445.284 0.976 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]21 1788610549 FQHAQRUEBSJJNF-BPNCWPANSA-N 429.399 0.231 50 20 ICGD CCc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1788767894 QVYIRASVHMBMNF-WBAXXEDZSA-N 443.334 0.292 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1789865814 DGMUYCNLMDILCL-FPXQBCRKSA-N 436.380 0.925 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1NC(C)=O 1792980509 KOPKKDHMJDCVGS-KPEUIFRASA-N 439.896 0.457 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270711 LDADSPBYMWLSLB-HNCHTBHHSA-N 425.283 0.167 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794321263 SUZHOBZUSTWJPD-OCVGTWLNSA-N 429.926 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)s1 1794688262 FREICEMBGDYSLL-FVCICTRLSA-N 434.710 0.598 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc(C)no1 1796253948 HSUZQAXOGSBBJC-LSOZKBPJSA-N 427.465 0.693 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCSCC1)C2 1797756459 JYFLXIMKIDBERL-XOIINTDNSA-N 433.534 0.032 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)[C@H](F)Br 1799344433 MJZYAXFVPLYDMI-OJXGSEEGSA-N 440.273 0.711 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803143164 VVMRHFSDJCUMTN-AAJLLMFJSA-N 432.912 0.978 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369827 WYHFOIYMTOVJSO-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CC1(F)F 1809521004 BMJFUASNUWGQDS-CGTJXYLNSA-N 429.232 0.736 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1812329650 UZHJMNVAYCAGDR-SQWLQELKSA-N 427.958 0.171 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815360873 PYYLLBJSAJDMGY-GDBMZVCRSA-N 442.350 0.391 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361441 FJIORUDOWKOSPN-DZGCQCFKSA-N 449.363 0.163 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816671945 WWOHQVHHRTXULW-FWOIEVBISA-N 426.821 0.029 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820846377 JYXHCFWHHCSMCF-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(O)nc2O)[nH]n1 1822414015 KRNGKFYDEGNQNS-CYBMUJFWSA-N 446.468 0.290 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)CC1 1823770652 GDGZNAYKEQIHOV-CTNGQTDRSA-N 440.305 0.926 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830268435 KXTHOZVNZLOWBC-PXNSSMCTSA-N 446.878 0.954 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491515 CVSPNJBGVGKVAR-GJYPPUQNSA-N 428.844 0.817 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800566 USRLFGVRCOUTQS-YOEHRIQHSA-N 429.861 0.265 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312333 QFEZWJJOSZPTFC-XJKSGUPXSA-N 433.933 0.719 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834390889 IIQIKTSTLIAMHL-CXAGYDPISA-N 429.315 0.521 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCc3ccc[nH]3)CC2)CC1 1834831734 ZUJXKVFSBANCHB-UHFFFAOYSA-N 446.596 0.892 50 20 ICGD CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)[C@H](F)Cl)CC4)CC3)CC2)CC1 1835082142 SINYSXXDRSQKFM-SFHVURJKSA-N 443.995 0.872 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835480689 NLOOFTHILFJAKC-RXULLKCLSA-N 437.472 0.325 50 20 ICGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717015 DNNBCPSJWOLFAP-OAHLLOKOSA-N 434.990 0.069 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836893270 ZACUPENAUMEAMZ-IERDGZPVSA-N 440.585 0.765 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1837717630 JYEJFCIXKSFBMQ-QGZVFWFLSA-N 443.602 0.205 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3)CC2)CC1 1837921074 XJSRWYUBOACLHV-HXUWFJFHSA-N 446.378 0.874 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1ccnn1 1839708971 RUJRNZWICWWPKV-MAUKXSAKSA-N 425.562 0.147 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204851 QLACRVYJKIABCX-IAQYHMDHSA-N 429.823 0.139 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCOc2ccc(F)cc2)C1 1841193673 CWQQSWIPHFGKNR-UHFFFAOYSA-N 426.253 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845919775 WHHPOVRBPFKEMV-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD CC1(C)CC(=O)c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(=O)[nH]c2C1 111131077 YVWJDDUEBUOXIP-UHFFFAOYSA-N 445.501 0.898 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 726164088 NWRBFQORGYICDL-OKILXGFUSA-N 449.464 0.930 50 20 ICGD O=C(NNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 729339904 CUVHZBJLTISLNJ-QWHCGFSZSA-N 446.938 0.373 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731547200 SVMAAOWHMKSQGW-UHFFFAOYSA-N 437.441 0.583 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 732053083 ZUDRTBAZQRVWPU-INIZCTEOSA-N 428.493 0.117 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC2=O)cc1 734241292 ATAZBGRFCZPONT-HNNXBMFYSA-N 449.508 0.899 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 740852117 LIHPXTADFKALQL-GOSISDBHSA-N 425.489 0.875 50 20 ICGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 741745198 XSTRKOBVTWOTNM-UHFFFAOYSA-N 445.501 0.790 50 20 ICGD CSc1nc(-c2ccco2)nc(C)c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747365623 OGHMAVCJQFCVLK-JTQLQIEISA-N 425.492 0.898 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OC 751538700 NSLPICLPHPTRAF-GOSISDBHSA-N 449.485 0.871 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 751803486 CADRGKJSTPADLJ-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3ccc(C(F)(F)F)cc32)c(=O)n(C)c1=O 754256738 FLHDAWNPLWVBMY-UHFFFAOYSA-N 442.379 0.063 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763680095 CERYVGBAKDVUDD-UHFFFAOYSA-N 434.416 0.397 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n(C)c1=O 765727522 JUJKMOWMNDACGH-QWHCGFSZSA-N 430.852 0.038 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)nc2)CC1 765906758 XOCSOYFXEHBXPL-WBVHZDCISA-N 438.554 0.601 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(Cl)c3ccccc3n2C)n(C)c1=O 766639511 QHVQMEKGBFUUTQ-UHFFFAOYSA-N 443.851 0.040 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC 766957971 UNFLQQDUOBLCBM-SJORKVTESA-N 431.493 0.786 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCS(=O)(=O)CC1CC1 767223665 OAZUSBNNJBPIRQ-UHFFFAOYSA-N 437.566 0.354 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 768370955 XTWRJYILESWLBK-UHFFFAOYSA-N 444.510 0.708 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)o1 771607688 QGRWJBKAEPHGKP-UHFFFAOYSA-N 429.838 0.736 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 771853767 XHKQVEKXQLWMCY-LBPRGKRZSA-N 429.495 0.828 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCS1(=O)=O 773419075 LWRSFLVBRGGUQN-LSDHHAIUSA-N 446.570 0.841 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776176014 GLLXUZKYZUFWDS-UHFFFAOYSA-N 428.405 0.017 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436781 PRTFQSYGWIFCSA-UHFFFAOYSA-N 437.497 0.275 50 20 ICGD CCNC(=O)N(C)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 785834763 JKOVCZXFLAXDNP-ZDUSSCGKSA-N 441.510 0.958 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1OC 799858004 YNYPCEMHNLVHFY-DGCLKSJQSA-N 444.510 0.374 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 806966844 SEQJKUMBIQZUNE-UHFFFAOYSA-N 430.490 0.336 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(F)n3)cc2)CC1 807390474 DCGDVFCABYEQEZ-UHFFFAOYSA-N 430.440 0.598 50 20 ICGD Cn1nncc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 807612414 OODKUUHDKRQQAH-UHFFFAOYSA-N 443.489 0.438 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033891 QAEUAHSBEBZFKB-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2c1=O 814729985 HJUUCZQXIXVPON-IYBDPMFKSA-N 437.456 0.690 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 914445341 VXXQKPNFVLSZAV-GHMZBOCLSA-N 444.307 0.384 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c(O)c1 917754037 WLFYQUHYFXZUJX-GFCCVEGCSA-N 433.442 0.761 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)N2CCCCC2)cc1 918122121 WMKHPSDUKUXXTP-MRXNPFEDSA-N 425.555 0.820 50 20 ICGD COCCOc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 919738460 YXEWIVSGRFBNLX-GOSISDBHSA-N 430.413 0.856 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 919822273 JRKDCRQTWOKWNT-NRFANRHFSA-N 428.420 0.991 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCCN1C(=O)CNC1=O 920285763 ZTXVTZFUUOMZOK-JTQLQIEISA-N 427.255 0.696 50 20 ICGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 921022868 QENWSVNQGMZRSH-GOEBONIOSA-N 425.507 0.816 50 20 ICGD O=C(NNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccc(-n2cnnn2)cc1 921200086 SZKQUPOSFUYZNB-UHFFFAOYSA-N 427.856 0.887 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 1317700965 ZEVOUCSFWDAXHP-UHFFFAOYSA-N 439.515 0.781 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)N[C@H]1CCS(=O)(=O)C1 1324095365 OCHOIYRKGDIPDL-NSHDSACASA-N 448.954 0.771 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=S)NCCSC)c1 1341587544 QJYPJHMIMIFVGS-UHFFFAOYSA-N 441.398 0.829 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1778786590 ADAAEVUODNSODE-HSMVNMDESA-N 436.303 0.054 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779223061 DSJZJNCBLDMTJU-GRDNDAEWSA-N 428.331 0.918 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1779294744 XXGFVTIUQUYHAP-HXUWFJFHSA-N 436.585 0.816 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC1(F)F)C2 1779372661 UGYZTSGNKZCCNX-QMTMVMCOSA-N 437.447 0.468 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779543589 JEGFSVZOHQRKNU-SPYBWZPUSA-N 428.606 0.799 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781027027 OMKLRGNHVINUEC-BCHMVAHBSA-N 444.536 0.435 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090287 ONNJSFGAOWNDBU-GPMSIDNRSA-N 445.402 0.483 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210756 HMFGHOQHKFMQHL-DYESRHJHSA-N 425.574 0.261 50 20 ICGD CC(C)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783933966 PGZYPJOYIFQJEP-FPOVZHCZSA-N 425.574 0.212 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092496 IXVYYVASTGXQIP-AJNGGQMLSA-N 433.933 0.479 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404410 HVISRSJQHBWVGM-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc(C(F)(F)F)cn1 1787244422 FZSUYQRGGSNLPL-DJIHRAIXSA-N 436.818 0.688 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1789222251 KQMCFDVQMUANLF-FNHZYXHNSA-N 448.476 0.675 50 20 ICGD CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 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445.520 0.261 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cn(C)cn2)[C@@H]1c1cccnc1 1805955088 PNCHMWSGKRQZTH-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccon2)[C@H]1c1cccnc1 1805994361 WMKAUZBMWMNTNU-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807362065 DKJTWOZYVPUHCA-DYESRHJHSA-N 449.276 0.015 50 20 ICGD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364173 PHNQPMWUNGLROS-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCO1 1807754592 YHGWVIMXGFOTGA-RXVVDRJESA-N 435.289 0.775 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1[C@@H]2C=CS[C@@H]12 1812382859 GOSYDDPISMJCPS-AYZHRIAMSA-N 449.341 0.956 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814477383 OEZMEOZSXYGZJW-GDBMZVCRSA-N 435.529 0.690 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815344234 OYARKZKRIMDIPM-AWEZNQCLSA-N 439.306 0.323 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)c1ccc(B(O)O)cc1 1820528788 GFKKRLVULWEKDN-ZDUSSCGKSA-N 441.274 0.448 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2)n1cnnn1 1826986518 FGAUWPGHUKPAMR-BRDIYROLSA-N 432.279 0.993 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055696 CLPLAPHHGXNWRY-NRFANRHFSA-N 437.305 0.547 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1O 1830245426 ZIOIMAJMULWTCO-PKOBYXMFSA-N 430.860 0.934 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c1=O 1830353417 BWRGWDDRTLFPEG-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD O=C(c1cccc2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735419 HOGLMSCXUVVWRD-RXVVDRJESA-N 433.892 0.905 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871274 QUPICRRGNZPUJI-FUHWJXTLSA-N 437.585 0.894 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832293345 NEYCZLBGYPNCFM-GOEBONIOSA-N 438.294 0.002 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832384711 BQSDVOYAZATAQQ-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162207 NJTLYSGOWYPJSW-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833196221 OFMGPUMUSQWTCG-CRAIPNDOSA-N 443.342 0.761 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)Cc3ccccc3)CC2)CC1)[C@@H](O)CCl 1833312512 WVURJEQKAHUQPR-UXHICEINSA-N 437.968 0.761 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1834797491 OEAYOAUKPKOVHK-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1834822127 ALEPRCLYJIOTOD-MJGOQNOKSA-N 441.322 0.961 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@@H]1Cc2ccccc2CN1 1835057962 QZAVNDBXNXOWQS-SFTDATJTSA-N 448.995 0.872 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)C(=O)OC(C)(C)C 1835210529 FAGUTWRFVMEUML-KSSFIOAISA-N 437.896 0.844 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)[C@@H](F)Br 1836414515 OPCUXFXPGJIOIM-MRXNPFEDSA-N 445.337 0.930 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837370641 RJTFYJZBEABZDY-SUMWQHHRSA-N 446.266 0.987 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709029 SSGSGCKEVQTJBB-YLJYHZDGSA-N 427.618 0.779 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683538 JEGGBYJKTDJTML-YOEHRIQHSA-N 429.315 0.962 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cncn1 1838789515 RMLYUZVCUMBAHR-MRXNPFEDSA-N 449.556 0.211 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1839962600 LHXIPRZBVBBZKW-XHDPSFHLSA-N 433.328 0.782 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839962813 RJFNZZNWXYAPIN-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Br)CC)CCO2 1839963368 IRQWELNXPDNDDL-QCDWJNCCSA-N 447.326 0.736 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840152340 FWLFPBSMCOMHOC-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840153119 DZRCDTCJLVIDAD-MDKPJZGXSA-N 438.908 0.700 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1cncn1 1840420620 PSGTZLDHXUTXCN-KBRIMQKVSA-N 434.324 0.532 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421297 NWWJRECHMQQMRP-XEZPLFJOSA-N 430.303 0.079 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1841753638 WDLWLLNKYQVCHP-SHTZXODSSA-N 443.504 0.482 50 20 ICGD COC(=O)c1c(C)cccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728853758 ABPKJFULBPOYES-UHFFFAOYSA-N 433.490 0.798 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c(OC)c1 730064587 IPDFSVLZYVLWPZ-UHFFFAOYSA-N 432.433 0.721 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C 734256765 KYPIOCBNPWMOPL-LSDHHAIUSA-N 444.517 0.634 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC1=N[C@H]3C=C[C@H]1C3)N(S(C)(=O)=O)CC2 739414234 WMCMAGDVJHJEEH-OFQRWUPVSA-N 434.518 0.930 50 20 ICGD O=C(COC(=O)CN1CCN(c2ccccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 741038998 LQRDFZHXHLROFE-UHFFFAOYSA-N 442.432 0.116 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742032821 AHTFTFPTBXCWTO-CQSZACIVSA-N 437.522 0.547 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc(Br)c2)n(C)c1=O 742771790 BDWGGXGFZJERRA-UHFFFAOYSA-N 449.265 0.048 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743318983 MURDUNDVCMFDIX-ZDUSSCGKSA-N 430.486 0.902 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1 744053277 PTYWLIDXYIMTCD-UHFFFAOYSA-N 442.538 0.857 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c2C)nn1 744536829 FBOKHEYDVLGVJN-UHFFFAOYSA-N 449.427 0.859 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744890041 QRUBKGHWPOKQKO-UHFFFAOYSA-N 436.428 0.860 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746591704 PKZJIGHGFWISBH-UHFFFAOYSA-N 436.324 0.946 50 20 ICGD N#CCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 748245923 UHDCKPYFKURKPO-UHFFFAOYSA-N 425.405 0.755 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)c1 748429408 XKYDHDSDZDUEOK-UHFFFAOYSA-N 441.469 0.643 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCn1cc(S(N)(=O)=O)cn1 749389460 ZHTPAWXVIFIIEB-UHFFFAOYSA-N 434.503 0.814 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(F)(F)C(F)(F)C(=O)NNC(=O)c2ccc(C)o2)o1 752785203 UIDDNEDWVBJQID-UHFFFAOYSA-N 434.302 0.982 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 755545815 KGWFEJIPJAWSHD-UHFFFAOYSA-N 425.401 0.693 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1CCCO1)N(S(C)(=O)=O)CC2 756128394 XZESGCTXGLOEDO-LSDHHAIUSA-N 441.506 0.279 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 757893660 QADGYDWSCBEJBR-SSDOTTSWSA-N 437.272 0.326 50 20 ICGD COc1c(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cccc1C(N)=O 757995700 ZIPZUPCZMCGMHT-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 763153739 ZXXDCOQNYZLETA-UHFFFAOYSA-N 439.494 0.527 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763441767 JNPVBBNJUDKGTF-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1F 763568197 FIVAYLQCOIROTD-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 763824334 NLHXUQOLITUXKP-OAHLLOKOSA-N 425.445 0.411 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1 763861550 SQBFHOUQUVJLSK-UHFFFAOYSA-N 428.412 0.949 50 20 ICGD Cc1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2F)c1 763916983 NCBZJNKBCNGAGD-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)N=c3cc[nH]c(C(=O)N(C)C)c3)cc2C1 763944161 XFQOVJSSDVIUMI-LLVKDONJSA-N 429.502 0.791 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 764004977 QHNYHNGEKXVUQX-UHFFFAOYSA-N 434.250 0.473 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 764424967 LJYWXKIYONAKET-AWEZNQCLSA-N 428.898 0.395 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 764549274 VNLBEXAJGCCXAK-UHFFFAOYSA-N 426.477 0.440 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 765536162 SIFLSKPBCZTRNH-CQSZACIVSA-N 438.469 0.872 50 20 ICGD CCOC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660614 PESPGWGHPGWYKM-UHFFFAOYSA-N 425.917 0.741 50 20 ICGD Cc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cnn1CC(C)C 767149934 FGFXLRZZLRGYJL-UHFFFAOYSA-N 435.554 0.936 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCN3CCN(Cc4ccccc4)CC3)nc21 770336749 QWBZQKYDOSNEGL-UHFFFAOYSA-N 425.497 0.513 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3CCN(c4ccccn4)CC3)nc21 770967365 PDIKGWSGCQPLSB-UHFFFAOYSA-N 425.497 0.947 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 771216409 QNUFGRHNCJTHKD-FQEVSTJZSA-N 441.400 0.832 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 772196314 IWSMYAAXONRBFQ-CQSZACIVSA-N 440.884 0.740 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ncc(Br)cc1F 777432492 QZIDAYODLKEBCK-UHFFFAOYSA-N 445.274 0.408 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)nc21 780936836 DRGFEIYDZRDWQN-IBGZPJMESA-N 427.421 0.598 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(=O)NC(C)C 784002589 HVZGPYUEAHHGLL-UHFFFAOYSA-N 429.433 0.242 50 20 ICGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784004378 MIBWBWVGBVOFFJ-UHFFFAOYSA-N 439.222 0.567 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 786970954 YELBCDQXVKSUSH-KAMYIIQDSA-N 430.442 0.524 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1C(=O)N1CCOCC1 787543470 WVVRIERSDZCBKB-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD CC1=C(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@H](C)n2ncnc2N1C 788266827 IFKREXCDMRRTND-LBPRGKRZSA-N 432.510 0.626 50 20 ICGD C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 798117479 ABYNKAJANVCWEI-MAUKXSAKSA-N 438.554 0.625 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 802065744 AJXLXZBBWSKNJJ-MRXNPFEDSA-N 444.473 0.363 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC(F)(F)F)(S(C)(=O)=O)CC1 803351691 GZJYHQLXRJPHQK-UHFFFAOYSA-N 446.448 0.693 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1 806343482 FLVLENNXYSCTIL-UHFFFAOYSA-N 439.881 0.224 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc4c3ncn4C)cc2)CC1 806781984 INTSAASXKMEEFR-UHFFFAOYSA-N 429.506 0.661 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccn1 807006055 LNAIINLDVXYHFA-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 815691618 VZAJYBGDLIATKG-NSHDSACASA-N 429.437 0.889 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 815691930 FROVIMVHFBQJLI-VIFPVBQESA-N 444.345 0.707 50 20 ICGD CN(NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087773 KZCCKXDGSPFSHZ-AWEZNQCLSA-N 432.543 0.837 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)c2ccc(F)cc2Br)C(=O)NC1=S 917602738 IRAPJUISBZWMJM-JXMROGBWSA-N 445.270 0.596 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 918100187 OSPKZZRDHCBVDN-JTQLQIEISA-N 431.517 0.280 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1CCS(=O)(=O)C1 920815038 HSZGHHINDMJXLW-JDNHERCYSA-N 429.907 0.851 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 921159915 PSJREPFRLVTFKS-UHFFFAOYSA-N 426.458 0.689 50 20 ICGD CS(=O)(=O)Nc1cccc(F)c1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1252793220 JCSBJYSDWJIUCH-INIZCTEOSA-N 438.437 0.868 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cc(Cl)ccn2)n1 1321843129 GBLSRAKQYFJTOE-UHFFFAOYSA-N 425.854 0.163 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)n(-c2ccccc2)n1 1327718586 VLCBGTQIDMMFSS-GJZGRUSLSA-N 429.477 0.919 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccsc3)CCO2)C1 1779031268 PUUXLVMZRCPGQC-NRFANRHFSA-N 443.529 0.823 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1781051414 UFXDZZVVPJKYME-LSIMKLPESA-N 437.896 0.878 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781214026 OAJFBVRDOAKHGP-RDTXWAMCSA-N 429.926 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccccc2O)C1 1781827636 WCBVBMLQNIQNCU-AUSIDOKSSA-N 446.548 0.822 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1783533973 NJDSIVJVBTVCJI-RNCFNFMXSA-N 431.205 0.705 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783752193 FNRCCORLYWFTEQ-KDOFPFPSSA-N 430.343 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1783936046 BHJFOAXXBQGDII-QFIPXVFZSA-N 444.488 0.955 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784520416 OBQRAHHLDGFAHJ-MOLYVOAJSA-N 443.335 0.337 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382012 MPEWVHXZJGXHCD-JOCHJYFZSA-N 443.504 0.140 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1785511215 DWPNCQWTLRXGGU-RDNQGFKOSA-N 445.944 0.719 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cc(O)ncn3)cc2)CCC1)c1ccc(B(O)O)cc1 1786467307 OZVWAMIOQKKHAM-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(OCCCO)cc1 1789233794 JKTPTCRHYHAFKA-KANFNMMFSA-N 440.924 0.641 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1791054360 CGWDHXLZGXRTLT-QPSCCSFWSA-N 434.400 0.798 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794495153 YZDXCIPESFWQBW-JONQDZQNSA-N 425.493 0.470 50 20 ICGD CCOc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739895 NLVXCJMWERPIJU-UPHUGPLXSA-N 438.289 0.282 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2)c1cccc(B(O)O)c1 1795740210 FGUWOYSCPVJGBL-HBCWATKFSA-N 446.671 0.676 50 20 ICGD Cc1ncc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795740931 QJWJVNAAVJUUOU-HMAWRFLHSA-N 441.318 0.048 50 20 ICGD O=C(CC12CCCN1CCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188411 BSMWCPBNMWAFGK-ACDBMABISA-N 425.338 0.637 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439467 GNCREHJCRNXMLZ-VPTYIUOZSA-N 433.509 0.117 50 20 ICGD COC(=O)C12CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)(CC1)CC2 1797266585 DOAHVXHXHFOKLU-FWBCYNTJSA-N 442.940 0.689 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2 1797751007 ZHLWZPQNZVDPOS-CCWDJLKJSA-N 448.483 0.683 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797986223 FMCDGZSSEOMKES-NRWUCQMLSA-N 441.326 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)NCc1ccco1 1798572697 WREQXPOCWDUJDJ-MDKZVNDUSA-N 445.520 0.463 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Br)CC1 1800159208 DWJASSHKBRSIMT-HLPPOEQASA-N 433.322 0.479 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807768951 QJMIKONGPWBJGW-LAUBAEHRSA-N 447.304 0.680 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CN)[C@@H]1c1cccnc1 1808415459 WQVRMMYKQBVPEM-ZYALEHHRSA-N 439.520 0.816 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1808765381 ZXTOWKTTXMUQJM-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817125895 ZHDVVBAALJARCE-KRTXAFLBSA-N 426.861 0.902 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474498 DVTPIBGVWVRNEX-GOEBONIOSA-N 434.689 0.649 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823013745 IIKMZFCAKOSFEG-UHLUBPPHSA-N 445.270 0.671 50 20 ICGD Cc1ccn(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080766 XJCJYVDQUIJAQS-CYBMUJFWSA-N 433.538 0.633 50 20 ICGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN)CC1)NC(=O)NCc1ccccc1 1826814490 QERNMRUKXFPRBW-FQEVSTJZSA-N 444.580 0.911 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826937306 CXXJIVQYTFADLX-CFVMTHIKSA-N 431.375 0.982 50 20 ICGD O=C(c1cnc(O)[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057286 BDNFSHQDUKIMKV-GOSISDBHSA-N 426.282 0.342 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1827144041 FSRUYGJNHKNXNR-IBGZPJMESA-N 440.309 0.534 50 20 ICGD O=C(C(O)O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829049088 FPLLYUJYHNOAFR-AUUYWEPGSA-N 443.859 0.284 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832935985 NNUVAGNKWRICFB-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798828 CJPCATBSYBZFHS-MRXNPFEDSA-N 443.353 0.167 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835629071 NPWIMASAIVVYDZ-MGPLVRAMSA-N 431.287 0.419 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836671263 STDAXHGBLQJJEU-LBPRGKRZSA-N 432.363 0.499 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1836845316 NRDSIPISRQGGDV-WFASDCNBSA-N 441.953 0.847 50 20 ICGD O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc2N1 1836992869 YVWYGQGSFAIKCK-LPHOPBHVSA-N 441.843 0.622 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837055514 JMYNCMVTIPUXEG-IFXJQAMLSA-N 440.859 0.372 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1C 1839200293 ICVCMMXASZJSKO-WMLDXEAASA-N 447.305 0.972 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c12 1839610222 BURSJFMEXVQSOB-UZLBHIALSA-N 436.896 0.312 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840150393 JRODHSPUYBSNBD-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840390267 XSQIQMLCCNJMQJ-KHYOSLBOSA-N 443.953 0.618 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C 16785956 RZFUDILWKIHUCF-CQSZACIVSA-N 431.536 0.221 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3ncnn3c2C(C)C)cc1OC 108746398 ZPUYWYJDOGGYNJ-UHFFFAOYSA-N 442.432 0.883 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 730824756 LQHOVIHEJYDQMG-UHFFFAOYSA-N 428.445 0.774 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 734428369 PTXJMEUTXVOGDO-KCQAQPDRSA-N 428.898 0.377 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 734806780 IZPOMHOFIGHJPL-UHFFFAOYSA-N 428.488 0.872 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 744672189 QPLAMFDLAIXCOM-UHFFFAOYSA-N 449.485 0.538 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 746200341 IFJUBWPOJOOXDE-UHFFFAOYSA-N 441.535 0.899 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1cnn(-c2ccccc2)c1 746728397 OKCNXFGCXDIDSW-UHFFFAOYSA-N 434.503 0.856 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 748706298 AGUUWECOUMKOQZ-UHFFFAOYSA-N 430.533 0.854 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1ccc2c(c1)OCCO2 755253907 BDSZCTZQHAMVBR-SYWGBEHUSA-N 426.429 0.209 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc2ccccc2o1 763066627 YDDRKWTUGSWNHE-LLVKDONJSA-N 430.442 0.660 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 763544338 WIXZIAZAVGKRIK-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc(S(C)(=O)=O)c1 763603174 WJEAVUPHCFFNCS-UHFFFAOYSA-N 437.430 0.486 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)cc1 763661197 KVJRPBJWLOIVHC-UHFFFAOYSA-N 438.444 0.964 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 763662084 TZZHUDZNOWVTDD-UHFFFAOYSA-N 438.444 0.694 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 763662934 NJEOOKFFVDRGIJ-UHFFFAOYSA-N 430.442 0.904 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 763871620 GMYWEDMTLMXLCZ-SECBINFHSA-N 428.380 0.354 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c(OC)c1 766319634 CDWLAENOAWKDSJ-UHFFFAOYSA-N 443.865 0.845 50 20 ICGD Cc1csc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 766329014 ROVQEZPWUJZRHX-UHFFFAOYSA-N 438.531 0.866 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cnnn2)cc1 770598179 HERBWKFVGLUYQV-LBPRGKRZSA-N 427.371 0.755 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc(O)c4cnn(C)c4n3)CC2)cc1 770968667 LEWVHDZKFLWGPY-UHFFFAOYSA-N 445.505 0.921 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 772226848 QNIGJBZJTQSJDD-UHFFFAOYSA-N 434.474 0.610 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 773863239 UHYVKZBQFFQRAA-UHFFFAOYSA-N 442.885 0.685 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 775460805 LOUKHYNCESDILM-MOPGFXCFSA-N 446.552 0.165 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC2=O)c1 778436343 HVHHQSWDANNZEF-GFCCVEGCSA-N 436.465 0.729 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccccc3Br)cnc2n(C)c1=O 782983920 RKZRFTFEURLMNN-UHFFFAOYSA-N 447.249 0.477 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nc(C)n1 783326818 PEMDGJJIRMHVFP-UHFFFAOYSA-N 435.510 0.492 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 786416092 AFVXPNGTYPIATJ-UHFFFAOYSA-N 425.348 0.598 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 789735866 WCDQMSNRSLGLSW-VHSXEESVSA-N 445.567 0.318 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 790063694 QRMFGMAKHFAKEX-UHFFFAOYSA-N 429.495 0.686 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 790064247 YNYDWQVOUYVVEO-UHFFFAOYSA-N 429.495 0.258 50 20 ICGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 796990996 YILOCFYTTHBTSR-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2n1 799006953 OEMLGRIHLFAVFC-OAQYLSRUSA-N 439.472 0.920 50 20 ICGD C[S@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 799714489 VVQPOFASJDSNQT-MHZLTWQESA-N 428.536 0.326 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc3ccncc23)CC1 806872189 GAVLVDCQPKOWOD-UHFFFAOYSA-N 427.490 0.718 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2I)cc1 814779559 PMNJTVIVPMCLGO-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C[C@H]1CCCS(=O)(=O)C1 815289736 QDLVHSCYFTWYMD-LLVKDONJSA-N 432.882 0.868 50 20 ICGD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816874567 FYGDIYOBYUVPQH-LLVKDONJSA-N 448.461 0.865 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1cc(Br)c[nH]1 916133259 BBXWRPLDUUVVDD-UHFFFAOYSA-N 432.234 0.810 50 20 ICGD CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916291774 GZNUHRQYHXGVKI-FQEVSTJZSA-N 444.513 0.961 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCS(=O)(=O)C1 916647676 NPZWBPSBBJAFRH-QGZVFWFLSA-N 430.552 0.352 50 20 ICGD COCCn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(=O)cc1C 1261086751 BGEYZIMWIQAAPV-UHFFFAOYSA-N 436.328 0.243 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 1317732359 WUDPHDWZFVKIRS-LLVKDONJSA-N 427.483 0.410 50 20 ICGD C[C@@H](C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 1319229677 BRAVMWSCDVQBBS-ZDUSSCGKSA-N 447.554 0.763 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 1330359996 OBLUKNLLXBNRFR-HNNXBMFYSA-N 425.530 0.191 50 20 ICGD Cn1ncc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1778017236 AJZXNIBGFFWGAV-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778181290 PULVMUHHIVJFQR-UTKZUKDTSA-N 435.908 0.462 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778519516 ZUVFPIQHFBEGRB-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1779028462 FMLZOXYAAQNNJD-QHCPKHFHSA-N 449.511 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779460764 IGJXHOIHSCJEEF-BTVXTAIASA-N 425.449 0.054 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1782487508 HASKJDDLHNCFHY-QHCPKHFHSA-N 448.288 0.080 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1783382103 QELWQYLYUHLDQE-NRFANRHFSA-N 438.475 0.710 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783952145 PBUUVXWXJPJBBY-CXAGYDPISA-N 432.308 0.091 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C(=O)c1ccccc1 1784345311 NTOFVFWDSGLOPR-FJIDUMEYSA-N 437.924 0.338 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 1785921728 ZVZLWMPRAYUBRZ-ZLIFDBKOSA-N 429.502 0.654 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788471079 FGXAMBBFOUHYIS-WIRXBISLSA-N 440.324 0.267 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21 1788637657 ZQALHAQBSSFHPZ-QAETUUGQSA-N 446.928 0.726 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccc1F 1790087821 URZREHDRSSWUEY-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)nn1 1791058850 JKEKSDPMPHMALY-MNXVOIDGSA-N 427.299 0.862 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C[C@@H]21 1791257438 GPOCGBJELXLSGX-IZPLOLCNSA-N 442.940 0.975 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794375632 XPJDRILSNHWCQA-RNJOBUHISA-N 427.299 0.862 50 20 ICGD Cc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795740947 RHHIOCIELVFHKT-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930123 RCXHWJCTNDPMJG-QPPBUOOMSA-N 430.914 0.059 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc2ccc(F)cn12 1796193028 ISLBTTSTCMSCRC-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797781206 XRPKESANEQYJTJ-BLUODKFWSA-N 430.278 0.557 50 20 ICGD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811073354 ANHXQGIIIIMRQB-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812414616 FGPLKZNPCZDSJC-UWJYYQICSA-N 433.277 0.047 50 20 ICGD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813248152 JUKBOKMZNJJZIB-HOQGASMASA-N 438.488 0.950 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335763 PRJLYMLFMGKRAZ-DOMZBBRYSA-N 429.307 0.640 50 20 ICGD N[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)c1ccccn1 1817475356 OKMIBTCPTCVDQR-ICSRJNTNSA-N 448.292 0.490 50 20 ICGD CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791534 PUZULSHJCUMEJH-JTQLQIEISA-N 427.490 0.917 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055951 PFFBMLTYOQTXQR-DNVCBOLYSA-N 429.326 0.111 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C1 1827056238 BPDYFBSRRXKRLR-RBBKRZOGSA-N 441.381 0.942 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924662 XHCCJIFPOYBTRP-IFXJQAMLSA-N 444.536 0.443 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1829851069 OLRCIMLNXUCYGW-YOEHRIQHSA-N 434.331 0.143 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306565 VOCMPDWLIQYKNK-KRWDZBQOSA-N 430.977 0.464 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(OCF)cn3)CC2)CC1)[C@@H](O)CCl 1833307870 BWGIRBKUZAHBLN-INIZCTEOSA-N 443.907 0.567 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1833824458 PAALNFVCPGYGRY-CJNGLKHVSA-N 447.261 0.373 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1834424384 XZQQHXBYJOZJOV-UHFFFAOYSA-N 427.347 0.635 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CN)CC2)CC1 1834659256 XZWUCRWPOSBLDG-CXEIWHQESA-N 445.568 0.287 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834774978 KLNXWTPMLFETLG-AIROSISHSA-N 437.262 0.253 50 20 ICGD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834797245 AINPWFOANFRLQG-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1837917756 KBZNJSNSZSYVJJ-OAHLLOKOSA-N 440.863 0.564 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071905 XXBARHQNXRSRKS-BDJLRTHQSA-N 431.287 0.359 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cccn1 1839203871 ZAZHTKIYEDPQDN-DVOMOZLQSA-N 433.278 0.591 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840031529 STBQENTXOKMWBO-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1840152686 PVLPAYGSFZMEEZ-QVKFZJNVSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840153383 MMPGJKCXYBEHTC-XLIONFOSSA-N 436.896 0.658 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](Cl)COC)CCO3)C2)CC1 1840155913 JVRVTIYANCZLBW-KBXCAEBGSA-N 432.901 0.040 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@@H]2CNc3ccccc3O2)C1 1844219635 ZLTWWKUVQGZXKU-GOSISDBHSA-N 435.289 0.447 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1844693301 PYRMEIRFXMZRIF-LBPRGKRZSA-N 443.420 0.585 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCOC1)C2)NC(=O)NCc1ccccc1 1845039287 AYODXCDPBOFMEZ-GOSISDBHSA-N 429.521 0.573 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1CCCC13CN(C(=O)c1cccc(B(O)O)c1)C3)CC2 1845925555 HHWCPMGTLYRRPW-LJQANCHMSA-N 448.328 0.997 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)n1 1846384855 RTBDOYYENOJZKX-UHFFFAOYSA-N 434.453 0.188 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847421439 QGUSAHIQYXSDEF-RCBQFDQVSA-N 446.508 0.414 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c2ccccc2c1=O 17190831 NZVQWRBYJIAEOW-UHFFFAOYSA-N 445.457 0.147 50 20 ICGD Cc1noc(CCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 117276766 SASKDOYANDVDJS-UHFFFAOYSA-N 437.478 0.183 50 20 ICGD COC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)[C@H](C)C2)cc1 725871672 PJZNCWWUHULWJD-CQSZACIVSA-N 443.460 0.748 50 20 ICGD COc1cc(C(=O)NNC(=S)NCCNS(C)(=O)=O)ccc1OCCC(C)C 727067841 MPAVHDIAWMWKEG-UHFFFAOYSA-N 432.568 0.778 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3nc(-c4ccncc4)no3)cc2S1(=O)=O 728073586 LZMFEWRROLPRNV-UHFFFAOYSA-N 444.429 0.679 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 733143139 BHKAGQVPQFVUOH-CRAIPNDOSA-N 449.577 0.903 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 735413728 IWDWOLFDUSTXQU-GFCCVEGCSA-N 430.494 0.498 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1 741742111 DJECKJYSSGQQPA-UHFFFAOYSA-N 426.433 0.811 50 20 ICGD O=C1C[C@@H](Cc2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)C(=O)N1 743293348 VYWBTXCZVCXSBC-OAHLLOKOSA-N 433.424 0.858 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCOC1CCOCC1 743509810 KOQYCUSXVUMHHU-UHFFFAOYSA-N 427.527 0.818 50 20 ICGD C[S@@](=O)CCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 745850465 XZGGIONWVRHCAP-AREMUKBSSA-N 430.533 0.871 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 745996249 RJLQXMZQHMXYCA-CYBMUJFWSA-N 446.913 0.484 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1F)N[C@H]1CCS(=O)(=O)C1 748691835 VHAPCWACSBDSME-QMMMGPOBSA-N 430.277 0.268 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)N[C@H]1CCS(=O)(=O)C1 749582683 LYRQKLSUTVXASK-QFYYESIMSA-N 444.922 0.786 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 755091053 WVRLRTKCASIJRH-SYWGBEHUSA-N 428.445 0.455 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 758741812 GLYPUIASCSLFPA-UHFFFAOYSA-N 439.538 0.634 50 20 ICGD Cc1cc(C)n2nc(C(=O)NN(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2n1 758782559 RZNYLSFIPOTPIH-UHFFFAOYSA-N 432.485 0.990 50 20 ICGD COc1cc(OC)cc(N2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 758862238 QGDFTVLBJFOPGQ-UHFFFAOYSA-N 445.476 0.980 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763578798 QFEWDINOPCJUFR-MRXNPFEDSA-N 447.411 0.373 50 20 ICGD Cc1cn2cc(NC(=O)C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2n1 763718187 ISWMANBOFMBWQN-UHFFFAOYSA-N 444.473 0.293 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnc3c(c2)COCC3)cc1 763872597 OVXOLVAUIHIUJQ-CYBMUJFWSA-N 426.429 0.910 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763878012 NXIBIZUEMOVPFW-ZDUSSCGKSA-N 437.416 0.418 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1N1CCOC1=O 763891604 PRPKXCQMZMVATE-UHFFFAOYSA-N 430.421 0.251 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764167757 MEIAFVVWQROKIW-GOSISDBHSA-N 438.440 0.249 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 764425274 OHPCHEPOGXEURD-KRWDZBQOSA-N 444.419 0.257 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1c(F)ccc(S(N)(=O)=O)c1F 767319906 ZIJJRWAKLUVIRR-UHFFFAOYSA-N 441.412 0.468 50 20 ICGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 767741334 MAUAUBUBZNQAAQ-UHFFFAOYSA-N 444.985 0.818 50 20 ICGD COc1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c([N+](=O)[O-])c1 768329215 VABGNEIEZKRCET-UHFFFAOYSA-N 449.445 0.481 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 772451119 ZJMVJOCYGXGHSY-UHFFFAOYSA-N 432.502 0.938 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 773478263 NSBIPLJRCYXDIH-PCLIKHOPSA-N 445.505 0.988 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnc(C2OCCO2)s1 774326457 IGHCKKDVHGJBJF-UHFFFAOYSA-N 425.492 0.865 50 20 ICGD C[C@@]1(NNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCS(=O)(=O)C1 775226856 WRWMMMKLSRZXPV-XJKSGUPXSA-N 445.339 0.935 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777777907 SGQSJTPIFCFIIK-UHFFFAOYSA-N 425.326 0.530 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 782896286 DSLOARGGJAWEQR-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc(Br)nc3)cc2)CCN1 784814098 WPPMEPACUDIACK-UHFFFAOYSA-N 433.266 0.862 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)n1 787542213 HONCQRGQYYCHPR-UHFFFAOYSA-N 449.533 0.690 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 789735868 WCDQMSNRSLGLSW-ZJUUUORDSA-N 445.567 0.318 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789818550 LWEAWEPFNKHQTI-ROUUACIJSA-N 440.456 0.979 50 20 ICGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)[C@@H]1CCc2nncn2C1 793450770 OBGLIAXXEBZGKW-GFCCVEGCSA-N 434.478 0.207 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc(C)n1 794082130 ZQBDCVQCELMGPO-UHFFFAOYSA-N 434.474 0.494 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797534964 ILDKIBFPCFRUHQ-CYBMUJFWSA-N 442.900 0.310 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797626071 MQHQXZSNBISSMF-UHFFFAOYSA-N 449.489 0.982 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 798315369 GVJXJKCGLDEILG-UHFFFAOYSA-N 432.471 0.992 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 799835575 SWNRGEUZIDUEIY-UHFFFAOYSA-N 436.494 0.125 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)N=c1cc[nH]cc1)n2C 802024502 GUINFTSWKDTKNO-UHFFFAOYSA-N 445.505 0.426 50 20 ICGD COc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 802365147 ZKPLQEQOIQKGNM-KRWDZBQOSA-N 436.432 0.808 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3ccc4c(=O)[nH]ccc4c3)cnc21 803429637 HHTVLRSRFVFHIP-UHFFFAOYSA-N 444.249 0.877 50 20 ICGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1nn(-c2ccccc2)cc1O 805844521 KIUBYJYBEQBXFX-CQSZACIVSA-N 442.398 0.785 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 807369871 NEYJEJHHYOJTNE-LLVKDONJSA-N 425.511 0.998 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3ccccc3n2)cc1 810518082 YJFBXHAEYQTLAU-UHFFFAOYSA-N 430.446 0.715 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C(=O)N1CCN(c2ccccc2)CC1 812690804 YEDZSKZQPYAIGQ-UHFFFAOYSA-N 438.484 0.577 50 20 ICGD CCCCN1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc21 815692022 HQYYTACBTPZIKF-HNNXBMFYSA-N 425.493 0.789 50 20 ICGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779285 YOGHAIAOMNRNTK-LLVKDONJSA-N 432.202 0.640 50 20 ICGD C[C@@H]1NC(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)=NN(c2ccccc2)C1=O 817055172 PHNUDMYQSVLTNP-ZDUSSCGKSA-N 430.490 0.718 50 20 ICGD Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1 843404787 MARPJYSEMCLPPI-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 906465690 PUVLOJZILNZZLU-UHFFFAOYSA-N 426.520 0.823 50 20 ICGD COc1ccc(CC(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 913176184 GHWDWIAWCHCRKU-UHFFFAOYSA-N 429.495 0.815 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 915077237 QCIISVOBFAOQDC-UHFFFAOYSA-N 431.879 0.466 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 917737793 PJRLTRHWMCKXIS-UHFFFAOYSA-N 442.471 0.265 50 20 ICGD CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 918398626 ASICWDABXXEBEA-JTQLQIEISA-N 435.491 0.544 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1ccc(F)cc1 919884848 HOCADIXQFPIIBP-CYBMUJFWSA-N 442.494 0.542 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212666 SZDNZMRAWOYWIM-CABCVRRESA-N 443.501 0.167 50 20 ICGD CC(C)(C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 1319478513 COQLPXGTZIGYQZ-UHFFFAOYSA-N 445.563 0.565 50 20 ICGD CC(=O)N(C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1329556813 SXBOXQHLYNNYIF-UHFFFAOYSA-N 425.488 0.696 50 20 ICGD CC(C)(C)C(=O)N1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1346576851 HDOFJNYVUIPCAO-UHFFFAOYSA-N 438.554 0.961 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825127 CUAFBFYGMVKVNW-YVEFUNNKSA-N 437.298 0.599 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781961873 SPRFQWNTPDZDGJ-JOCHJYFZSA-N 437.236 0.134 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213267 JNGWJIUDEDLUOM-DYESRHJHSA-N 434.541 0.078 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCO2)C1 1783878871 KHVMYJDARCZGRI-DJDZNOHASA-N 447.919 0.980 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937853 PDMZQSVVSLWXPV-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCCc3cccnc3)CCO2)C1 1783937993 QTQVCMFGUVPPTG-JOCHJYFZSA-N 431.537 0.607 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783965872 WFTDERQXCPAKPI-QMVSFRDZSA-N 433.347 0.444 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981661 YCNIQAFAYHZZNN-OAHLLOKOSA-N 425.480 0.346 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CCC3)[C@H]2C1 1783987711 UFIXYJGNOONBOH-PDWMJMLSSA-N 427.505 0.635 50 20 ICGD Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)nc2s1 1784085584 LNUYIXKBYIQWKZ-MHEUCROKSA-N 441.941 0.221 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1784444206 HRQTUWNVEQXEPH-BJDJZHNGSA-N 430.354 0.098 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 1787509034 XWFBDCXGYFNCCS-RPIBGLMYSA-N 441.492 0.147 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1nc2ncccn2n1 1787938920 AKKUKTOMUCSXMA-BJDJZHNGSA-N 441.261 0.408 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789860315 OSUSPOOYDYHAPY-PMMQCXHCSA-N 430.958 0.786 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792133227 VGMQHRWANZCWHI-AJNGGQMLSA-N 426.901 0.254 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 1792421322 DMBCPODWBWJVDI-CXHZTBPHSA-N 425.869 0.981 50 20 ICGD CC(C)(C)OC(=O)NCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975373 PEVQIEPVTJOHGQ-IVSAIRAKSA-N 447.960 0.871 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@@H]2C[C@H]2C1 1797632504 MWCCPOBPWDSOEU-RYFGKTAWSA-N 428.371 0.947 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797781210 XRPKESANEQYJTJ-CVNCSBKSSA-N 430.278 0.557 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439970 QKRCJFKIMBGNPV-XQLPTFJDSA-N 430.509 0.242 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1800168061 SWNHMVNLVKADOV-AICCOOGYSA-N 433.933 0.500 50 20 ICGD C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1800594957 OMQVZGLKQVBGDM-GJPCKUABSA-N 436.317 0.763 50 20 ICGD Cc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800610897 RMDBALZZWLKBIQ-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1800976743 GDAQKIKNYQKDIX-FBKDDSFISA-N 438.834 0.896 50 20 ICGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804094650 KEVMKFQYVQHVME-SMDDNHRTSA-N 428.276 0.443 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805527202 UWOJICSFOZNZAH-UONOGXRCSA-N 433.933 0.660 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361299 HVZKWUYNUHCPJG-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)c1 1807473110 LBGYBEZBEQZABT-MRXNPFEDSA-N 443.953 0.930 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cnsn3)C2)CC1 1807604882 CDFLPTQOXMAROZ-UHFFFAOYSA-N 429.506 0.695 50 20 ICGD Cc1cnn(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)c1 1810203525 VVPSRIZECJOZBX-UHFFFAOYSA-N 439.520 0.735 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1810542417 YMMUIKGNHTYSAU-BXWFABGCSA-N 435.601 0.532 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(F)nc1 1810692810 QYCCQMHSOCACTG-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810872040 KAWLWWVVOPWYQX-UHFFFAOYSA-N 434.497 0.106 50 20 ICGD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811073355 ANHXQGIIIIMRQB-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071340 RVYNCRRQEPACBM-CRAIPNDOSA-N 445.549 0.934 50 20 ICGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815293608 IAECKUSYNFGENN-NHYWBVRUSA-N 442.480 0.226 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348639 URPIVYHOGOHGOI-SWLSCSKDSA-N 430.339 0.389 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360051 KMAKFFQLMSAXAG-IUODEOHRSA-N 430.339 0.389 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1815768431 RBUZNBATGFMHPH-WDEREUQCSA-N 441.286 0.785 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817310212 OPFHOSPSUXERAR-AAEUAGOBSA-N 438.554 0.295 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1824185556 YKHOSPZGYWWBHM-NZSAHSFTSA-N 429.005 0.842 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735862 OHYCUSSANOGMJG-BEFAXECRSA-N 440.859 0.143 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)n1 1833443594 UTWSPLDYIVEOFK-LJQANCHMSA-N 440.573 0.350 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833505462 DXFGXBZKQIEMEY-LJQANCHMSA-N 438.557 0.407 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1)c1cccc(B(O)O)c1 1834799928 FOGUBMBAAWOHOL-GOSISDBHSA-N 435.280 0.207 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836051805 HXDSWKNYGSLGJU-HXUWFJFHSA-N 436.585 0.717 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3F)CC2)CC1 1836368490 BWAJVKQIERVIMX-FUHWJXTLSA-N 432.500 0.228 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1836398577 OBCOMZYETCPERW-QGZVFWFLSA-N 442.409 0.839 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419359 DOUBTIDXTOMSDJ-GTNSWQLSSA-N 444.282 0.346 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)N1C[C@H]2C[C@H]2C1 1837286139 AHFUHJNNSLFWTM-VPKNTQAGSA-N 448.333 0.474 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030100 ADWRTKJMCLLBIY-YVEFUNNKSA-N 434.331 0.141 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840036557 OAVKGVZIXTZFEO-RMYJWEKJSA-N 433.343 0.777 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153650 WUIXADOMYRZGIG-SPYBWZPUSA-N 433.933 0.001 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)C1 1841641151 ORPMPYRMPGTHMN-UHFFFAOYSA-N 441.532 0.982 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1843416347 ZGPNSZSVEWAVJZ-WPCKFNLTSA-N 426.477 0.159 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1843610147 ZNGUZJBOICZFTF-UHFFFAOYSA-N 437.504 0.903 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnc3c(O)cccc23)C1 1845702164 GFSOYWRAGPZFEP-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD O=C(c1ccc2nc(Br)nn2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558734 DGHJRCNLEUIXQZ-SRVKXCTJSA-N 442.701 0.907 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848098574 JLYARNXAWGGHPF-UNQGMJICSA-N 430.933 0.845 50 20 ICGD COC(=O)CSCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 730768817 JXRIUNUGOCJYRF-UHFFFAOYSA-N 429.520 0.528 50 20 ICGD COc1ccc([C@@H]2[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CCC(=O)N2C)cc1 734321386 HEIRAPYKVKPUAL-DNVCBOLYSA-N 428.445 0.775 50 20 ICGD Cn1cc(C(=O)NCC2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 738312906 YUHVAQSNHHIYAF-UHFFFAOYSA-N 443.464 0.231 50 20 ICGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1=O 739064101 MMJTYNWKBDOFSN-CYBMUJFWSA-N 437.503 0.724 50 20 ICGD COc1ccc(OCCS(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 742029136 BECRYLNZABRTRV-UHFFFAOYSA-N 435.506 0.731 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl 746695175 GUAYUUPKHGDDIK-ZCFIWIBFSA-N 431.275 0.436 50 20 ICGD O=C(CCOc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 747076428 KKADXKQZGSBZMO-CQSZACIVSA-N 447.469 0.903 50 20 ICGD O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 748343656 LLIFWDHCWVLKAU-HXUWFJFHSA-N 440.504 0.764 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cn1C 750663052 KQWLFYRUEWTBQT-ZDUSSCGKSA-N 445.501 0.775 50 20 ICGD CCOC(=O)NCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 751539054 OJQCOWWTZOVEGY-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 751831990 MABJKKTUUGHMSO-ZDUSSCGKSA-N 448.863 0.738 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3cc(Cl)nc(N)n3)CC2)cc1 753450313 RDQQOFFHUMKDMM-UHFFFAOYSA-N 439.929 0.470 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756038494 OHAWRPNCWHKSHF-UHFFFAOYSA-N 434.503 0.592 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 756840573 XRCKDXSXOODZSI-BETUJISGSA-N 445.436 0.894 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N(C)C)cc1OC 758664823 JJQQGDUNPMOMDT-CQSZACIVSA-N 430.465 0.671 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc21 763550864 IEFLWDNFBZPLOC-UHFFFAOYSA-N 439.428 0.907 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1NS(C)(=O)=O 763574335 YXXQRQNZUXASFB-MRXNPFEDSA-N 448.457 0.292 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 763658409 XTEATECCJSKWAN-LLVKDONJSA-N 428.401 0.580 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cc21 763838246 QYUXQAXSLANAAS-UHFFFAOYSA-N 441.419 0.691 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1C(=O)OC 763840656 VZNDBWYANJAIRO-UHFFFAOYSA-N 447.375 0.564 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(CN2CCCC2=O)c1 764007081 ZIAVIJYWRLCGQG-UHFFFAOYSA-N 438.440 0.980 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1O)S(C)(=O)=O 764117988 WRDDPTWFCUMVGR-UHFFFAOYSA-N 440.865 0.841 50 20 ICGD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)CN(C)C 764203891 LNTXKLBHEYNSLD-KRWDZBQOSA-N 427.509 0.286 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCCc2cccs2)c2ccccc2O1 764339335 KGWXNUWUDRXEJH-INIZCTEOSA-N 430.486 0.758 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764362714 HGILWHPRLPDKTE-UHFFFAOYSA-N 426.473 0.822 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 764377203 LJUBCFSDVKAVAP-UHFFFAOYSA-N 431.434 0.448 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1 765394164 XQWURFXNTAZYQV-NSHDSACASA-N 430.483 0.494 50 20 ICGD O=C(CCC1CCCC1)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736526 UGMFZOPGFIMPFI-UHFFFAOYSA-N 443.548 0.678 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)nc3O)CC2)cc1 766635600 AZGRCWVVPRKWSP-UHFFFAOYSA-N 447.517 0.172 50 20 ICGD CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 767191440 ABXKSLXKGSHCCJ-UHFFFAOYSA-N 448.501 0.957 50 20 ICGD O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)NNC(=O)c1ccccc1 769668972 MXCDBSAATNKHSD-UHFFFAOYSA-N 440.368 0.866 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C(=O)N1c1cnn(C)c1 770402240 ZWEUVOIZSXUHDV-GWCFXTLKSA-N 442.484 0.841 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 772003570 KIKZTKWLJCLFJB-QWHCGFSZSA-N 429.495 0.085 50 20 ICGD CN(NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br)C(N)=O 778412139 KEUGVXXZKPOZSK-VIFPVBQESA-N 435.300 0.562 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783425691 CREORYHDACBMBT-OAHLLOKOSA-N 434.312 0.984 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 784004514 PKQDBVYYTFQNRN-UHFFFAOYSA-N 444.835 0.694 50 20 ICGD CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 785385178 IOAIOCFTCCFWQW-MRXNPFEDSA-N 449.441 0.202 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N1CCN(C)CC1 788164671 FBBOUSSUVMNSNX-OAHLLOKOSA-N 429.568 0.075 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2ccccc2S(N)(=O)=O)cc(OC)c1OC 788230603 RJBIDTBIFWTFDA-UHFFFAOYSA-N 438.462 0.233 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1COCCN1C1CCCC1 793589892 HNBOEXDORVCZSA-SFHVURJKSA-N 438.550 0.794 50 20 ICGD N#Cc1cccc(-n2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n2)c1 798801005 PRJKCYGIWPFFCQ-IBGZPJMESA-N 447.407 0.888 50 20 ICGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(C)c1Cl 799519257 SJUHMFIZZLPUAG-UHFFFAOYSA-N 433.856 0.557 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098384 OCZFLNXGJCJJBI-SFHVURJKSA-N 433.421 0.184 50 20 ICGD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)CNC(=O)c1cccnc1 803203278 DUIBRYSLIHVOPH-UHFFFAOYSA-N 438.893 0.866 50 20 ICGD CC[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)S1(=O)=O 804867906 OALIBPCIHGWMLG-VXGBXAGGSA-N 431.540 0.232 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 807240056 MPUYRAOQKYHWTQ-LRTDBIEQSA-N 447.492 0.793 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 811678763 ZDIYIAPTVROBJV-UHFFFAOYSA-N 447.469 0.954 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2cnc3sccc3c2=O)n1 830397595 NWEUBGLURGHIEN-UHFFFAOYSA-N 435.487 0.546 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)c1 915051832 ULLUDRNNCIWESE-UHFFFAOYSA-N 438.897 0.716 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 915485648 URMOCUSKHUHZHK-CQSZACIVSA-N 449.485 0.272 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267202 KFBRSYQYSKGJJT-MRXNPFEDSA-N 445.499 0.926 50 20 ICGD CC(C)(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 917182357 CGPYGHKTOOJALR-NRMKIYEFSA-N 445.563 0.574 50 20 ICGD O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918781759 WYHRBQSJJIGEMW-CYBMUJFWSA-N 445.453 0.791 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3Cc4ccccc43)nc2)CC1 919658567 ZVANQSAWZRPCCB-INIZCTEOSA-N 430.534 0.984 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 919883902 GKFCPWHMJZJQTG-ZDUSSCGKSA-N 425.467 0.329 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 919890099 ZVDYIZKXUOCGBH-LLVKDONJSA-N 434.312 0.908 50 20 ICGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(Br)s2)C1 920239742 CAEVHODWHDLXNS-QMMMGPOBSA-N 425.330 0.879 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780804950 AFRCGDHCEXZICB-NRFANRHFSA-N 445.426 0.721 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781233963 PCRQXAAXSTZRIN-UONOGXRCSA-N 434.242 0.731 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332463 ZFTGTWMMXQPKOS-NORZTCDRSA-N 430.278 0.797 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CC3Cc4ccccc4C3)C2)C1 1785656550 PRGZBUQYXLLBGY-DEOSSOPVSA-N 442.560 0.994 50 20 ICGD CN(C)C(=O)NCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1785929524 KDGPTTWAUSPWCH-UHFFFAOYSA-N 438.293 0.385 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787084826 VPUKLDVWHZUYCG-OSFYFWSMSA-N 442.310 0.773 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccnc3)[C@H]2C1 1787109955 NPCYADVZCXRJRM-FHWLQOOXSA-N 431.537 0.367 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)s1 1787765502 INZBEGBBLXGPAH-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)nn1 1789102902 CBXVRWDNLAWSPK-OBJOEFQTSA-N 427.299 0.864 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1C[C@H]1c1ccccc1 1791203578 CTFLCCMQHBIONY-SVXFZJLFSA-N 448.328 0.763 50 20 ICGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791289355 VSTNIACXVPXSPC-UFYCRDLUSA-N 430.549 0.890 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293369 ZUAMPENQODNIKC-OWSLCNJRSA-N 447.536 0.202 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1792870554 RVXAXUGXASMCPM-JFILPPLUSA-N 426.311 0.620 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871330 VBZWHYKDDFUSJW-YMSVYLFOSA-N 432.359 0.912 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1792884698 VXHIVBHGXHIIOB-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD Cc1ccncc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794103689 AZKREFZPNFYOOV-OPMZPASUSA-N 431.537 0.285 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)nn1 1798755350 XSEJLGUGNRIMTI-DJBIQUGXSA-N 431.262 0.769 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1F 1799570384 JWAAJDAXEMUGOJ-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1800334129 APSZZTWHXUACDR-YACYFGNPSA-N 432.427 0.727 50 20 ICGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)cn1 1800757832 LGNNREGNYRFBKP-MCYUEQNJSA-N 427.299 0.862 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1800983002 NRVVPOSVHHLZIQ-ZMMAXQRCSA-N 437.924 0.568 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363358 ZUNVYXNOSDVIPI-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364571 FWIHOCCFIIPXNF-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD Cn1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n1 1808438113 ISEOUBXUMQWFKC-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1810298694 LPAOYIXUXUAIED-KXBFYZLASA-N 446.471 0.504 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1811472152 XFIZZOLTBUWOJH-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813031324 LPPOJYKRBHDNFV-JKIFEVAISA-N 446.895 0.544 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)[nH]1 1815336733 BJRLNACDVKBAJH-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD COCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819790897 KXDGESPTNIEHTA-NSHDSACASA-N 432.506 0.794 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2 1819796748 DGCDZXZRKAYREP-GARJFASQSA-N 430.490 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncon2)n[nH]1 1820016937 AUJMKURSTYQMAU-CYBMUJFWSA-N 425.409 0.411 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1825647112 NLNMEQASDALXII-MNOVXSKESA-N 449.371 0.125 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083079 JPJLNVGCNQYSJE-PRXAMGSTSA-N 425.555 0.835 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnc1 1826083907 VGDGVKOBOGFESO-OLZOCXBDSA-N 433.538 0.886 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924663 XHCCJIFPOYBTRP-KUHUBIRLSA-N 444.536 0.443 50 20 ICGD CN(C)C(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925736 QPVBQZDJKQUTKL-KRWDZBQOSA-N 430.509 0.007 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538486 GOGIOWHXDMRKHG-ZBEGNZNMSA-N 430.303 0.214 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1830546672 VIDUTMNWLQJKAB-RKVPGOIHSA-N 433.343 0.900 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1831108518 QSEYQRNLDYCNMI-VQIMIIECSA-N 446.386 0.958 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1833264670 NNZUZZREJDZFTP-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819077 HOODNNPXPYLWKF-QGZVFWFLSA-N 434.331 0.143 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835296078 ZUUVHZUGPLIYMS-MJGOQNOKSA-N 441.322 0.961 50 20 ICGD O=C(O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)ncn1 1836715271 OIQRJTMFPLHTQL-INIZCTEOSA-N 440.884 0.387 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839534165 ZJCLIRQIDUJETL-KXBFYZLASA-N 426.901 0.153 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881037 JRZXVHYKGBDRIY-HACGYAERSA-N 434.331 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839955927 ZJQPXNFMFQAWFK-LAUBAEHRSA-N 440.924 0.948 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410954 XYJSEKMPPZQHAO-ZWKOTPCHSA-N 447.319 0.548 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccn(C(F)F)c1=O)C2 1844264713 ZOPHLTIEFZHNNZ-UHFFFAOYSA-N 446.414 0.373 50 20 ICGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](Cl)COC)C1 1846364625 BROAGEJZLFFTFG-INIZCTEOSA-N 436.933 0.140 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 27803849 JZCQVKNWQNSAMW-UHFFFAOYSA-N 435.418 1.000 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 32797836 AHMKELIUNYDZPE-UHFFFAOYSA-N 443.463 0.525 50 20 ICGD O=C(NNC(=O)c1ccc(N2CCCC2)nn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 60371498 HMAMEFQTNFYDSN-UHFFFAOYSA-N 444.517 0.936 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728599628 LVZCDBYHPHFPAW-UHFFFAOYSA-N 449.480 0.847 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(F)ccc2Br)CC1 728744436 AZDJTXIKRXAVMM-UHFFFAOYSA-N 430.278 0.696 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729629519 KVWIDNBOFUXFSR-UHFFFAOYSA-N 435.448 0.248 50 20 ICGD C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc2O1 729965077 SEGAHJYEXZUFKQ-VIFPVBQESA-N 445.906 0.934 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CCc3ccccc3O)C2=O)cc1 730034232 DFFMGYRKZPITEC-JOCHJYFZSA-N 440.456 0.948 50 20 ICGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731866215 RUBYSUSUBAVXRU-UHFFFAOYSA-N 448.443 0.091 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 734241074 BSUHSAKJKIQKLH-CQSZACIVSA-N 426.518 0.769 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734684849 AKGOEAWQCRHEAM-HNNXBMFYSA-N 425.917 0.699 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 740853449 TVCACXIXPQKTSX-CYBMUJFWSA-N 443.526 0.144 50 20 ICGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)c1csc(N2CCOCC2)n1 741144506 VJYFLNAFYITQOI-UHFFFAOYSA-N 445.549 0.348 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 741883321 QKTUZXYGVLUBIY-KRWDZBQOSA-N 447.469 0.150 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 742034250 GQDQZVAFSZBINN-UHFFFAOYSA-N 433.486 0.697 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cs1 743250089 ADBSIGCETJAUKY-UHFFFAOYSA-N 446.532 0.760 50 20 ICGD CC(C)NC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 745145304 BPYRLDNJXJGYIV-LMRWQKIVSA-N 446.551 0.119 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cn1C 750662187 AYVVFEILBVRBIO-JTQLQIEISA-N 425.536 0.654 50 20 ICGD O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)NNC(=O)C(=O)Nc1ccccn1 758669116 BLQBJGZUBPTAES-MRXNPFEDSA-N 430.440 0.563 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 758802883 FXIIDLJFQWXPET-CQSZACIVSA-N 426.433 0.030 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)c1 758825479 RESWDSTVTGDMDQ-OAHLLOKOSA-N 442.432 0.173 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2nc(N)ns2)CC1 759357893 OWVKXYURLAXRBO-UHFFFAOYSA-N 425.902 0.366 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12CCCO2 760142846 NQUZZHNRERBYDZ-FCEWJHQRSA-N 440.522 0.608 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)cc1OC 763903729 SLSDKOFVOPVGEL-UHFFFAOYSA-N 443.460 0.725 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c2ccccc2O1 764235069 PZGQEYVHKPAOCH-GOSISDBHSA-N 435.440 0.640 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 764398331 FMDUUUFSRDZTDX-VIFPVBQESA-N 434.371 0.801 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 765544414 XJAGJWBFNVPEKG-GFCCVEGCSA-N 425.396 0.972 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccncc3F)CC2)cc1 766635705 DEWJPFYSFHXVKG-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)C1CCCC1 766642279 LISKNOGGMMDFPK-KRWDZBQOSA-N 443.548 0.677 50 20 ICGD O=C1COc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2N1 770570518 DHBXRAAONLEYPL-UHFFFAOYSA-N 445.457 0.272 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O 772015575 IFYBNSDKKNPPAF-SECBINFHSA-N 425.239 0.648 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 775455611 WQBCIXASZISVRR-JSGCOSHPSA-N 428.515 0.030 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c(OC)c1 775702152 JWRDMDNXFPXXGW-OAHLLOKOSA-N 427.417 0.921 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)[C@H]1OC 776523234 KGADJXUXVINRTL-GVDBMIGSSA-N 442.538 0.854 50 20 ICGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 777940322 JONPVCNNSIZTQY-UHFFFAOYSA-N 442.494 0.878 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)nc1C 778424827 BVRTVZNDXIMZER-OAQYLSRUSA-N 438.444 0.798 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)nn1-c1cccc(F)c1 784003497 HIQHUUHWQBOANA-UHFFFAOYSA-N 444.448 0.897 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003508 HQGUNWYJEUAFCR-UHFFFAOYSA-N 449.514 0.232 50 20 ICGD O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 785790908 DUPTUSJEAGWZBO-DFMBRWPFSA-N 444.362 0.873 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2[nH]nnc2C)c1 789867119 LJQIUHQPBDOOHD-UHFFFAOYSA-N 430.446 0.997 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 792014809 NINQSHQAJCBJLA-KBXCAEBGSA-N 441.362 0.606 50 20 ICGD CN(C)N(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 792853879 HHGUAXZDWKYLBL-GJZGRUSLSA-N 446.570 0.385 50 20 ICGD CN(CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 794763286 ATMZGOIJGHLHBP-UHFFFAOYSA-N 428.511 0.955 50 20 ICGD Cn1cc([C@H]2[C@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC(=O)N2C(C)(C)C)cn1 795102378 XJDHEUVIJKSCLY-RISCZKNCSA-N 427.469 0.634 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccnc1F 806272424 GHTJHPSNQSWODJ-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD COC(=O)c1cc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC 806969268 PNRJJXDOTFRKQY-UHFFFAOYSA-N 425.405 0.602 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 810384594 NJJTWGJULCSIEB-UHFFFAOYSA-N 433.384 0.310 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033400 RIJPNKATJDYPAN-UHFFFAOYSA-N 449.533 0.959 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1OC 815139862 HEXFJPJDSALQDN-SFHVURJKSA-N 440.500 0.898 50 20 ICGD CN1CC[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 849573307 RRCVZUVBNVUYQR-IAGOWNOFSA-N 432.912 0.573 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)COc3ccc(Br)cc3)cnc21 879396733 FDXJJAZBESQXLW-UHFFFAOYSA-N 448.233 0.637 50 20 ICGD CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 901382005 YZFQVEBPWWJADO-OBGWFSINSA-N 426.473 0.522 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 916391050 ZBSMOTCWGPTHTI-UHFFFAOYSA-N 427.509 0.418 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 917197887 ROMXLJPWFHBRBC-QZTJIDSGSA-N 429.498 0.565 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N[C@H]1CCS(=O)(=O)C1 919889861 VQQAYEOKSZLDHQ-AWEZNQCLSA-N 446.464 0.933 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)nc2-c2cccnc2)c1 920276332 VUUKXVHWVXXXPE-UHFFFAOYSA-N 428.474 0.807 50 20 ICGD CN(C)N(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1248442050 CGOIWTKZEKFWRP-GFCCVEGCSA-N 440.507 0.980 50 20 ICGD NC(=O)c1cnc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(Cl)c1 1342427026 WMAGHLHBARCJGG-UHFFFAOYSA-N 425.692 0.274 50 20 ICGD CNc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779031405 RUGGYGHXACJTAH-JOCHJYFZSA-N 438.488 0.484 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781031885 HAYADTGZIOHRON-BIENJYKASA-N 433.933 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(O)c1)C2 1782214585 VTMQJWVAPLNPNS-DYESRHJHSA-N 433.509 0.288 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1783939994 QABXCHYVQZDUJC-XMMPIXPASA-N 442.560 0.994 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccns3)[C@H]2C1 1785813449 CCPCAGKLHBWIPG-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2[nH]ncc12 1787309852 RRSQGWIOOUULES-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD CC[C@@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787509165 XDNCJUPARBBQFL-HYWQPGETSA-N 432.525 0.098 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1791293897 MHTXICOQQNUPJF-UFYCRDLUSA-N 441.532 0.719 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C 1793541629 UIUKGBGNSCKQBW-SNOXVSQISA-N 441.492 0.066 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2c1 1795738731 DCWMKMFMLJBJAB-OPMZPASUSA-N 447.300 0.673 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1n[nH]c(C2CC2)c1F 1796188335 QMGMBAYVWFKYCZ-MUJYYYPQSA-N 426.257 0.672 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1F)C2 1797752970 PLBRDZDXKVQWFE-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1797954877 OSSWGYSDDVCZRB-ZSBFGKGUSA-N 435.553 0.908 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)no1 1799276515 LZXDRVTZQMRBEL-ABXQLRGKSA-N 447.319 0.539 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(-c2ccc(O)nn2)cc1 1799837948 CZPOCIBQCHONFS-LORHWOILSA-N 446.891 0.652 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801287376 RNBXDICEEXUTBC-WCXIOVBPSA-N 430.553 0.915 50 20 ICGD Cc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801887290 HDJBENRKLGREQK-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803820338 MFOQTHJXPKPWJX-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807365150 RSMFMHLXQVUZCH-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1813071689 UCEVBIAYUBNWQG-IIBYNOLFSA-N 441.488 0.727 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814474993 HFMBXNPCDWGXBG-FUHWJXTLSA-N 441.297 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CSC(=N)N)sc2C1 1814730354 IMEWCDURSRMASP-VIFPVBQESA-N 427.556 0.055 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cncnc2)[nH]n1)c1ccc(B(O)O)cc1 1817471480 PCJBLIJEZMKFEH-LJQANCHMSA-N 448.292 0.818 50 20 ICGD Cc1ncncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819864849 LQTZSOPWBBREKA-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2nc[nH]n2)n[nH]1 1822713774 ROIJSBSSNUCNIL-CYBMUJFWSA-N 449.541 0.685 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824400438 LYDQTCVEJCJKKS-WMZOPIPTSA-N 437.585 0.894 50 20 ICGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CC2 1825162853 DPRANKGKWFIBOT-LUKCILAXSA-N 445.505 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1O)CC2 1826088066 QQNHFCQJHAJAKZ-SNVBAGLBSA-N 433.494 0.238 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830199583 BAGMWZLQAHQZHB-GHTZIAJQSA-N 440.924 0.820 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832417210 IEONXKYBCKMNJX-OAQYLSRUSA-N 429.370 0.940 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832999717 ZCPZRVWLDCXIRT-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092524 PVXUPHJVYZBDFV-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD Cc1cnc2c(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)cnn2c1 1833309858 BPJSSVZJEGWQCS-SFHVURJKSA-N 448.955 0.823 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3[nH]nc4ncccc34)CC2)CC1)[C@H](O)CCl 1833310236 DQOBDSWCDUGEOL-MRXNPFEDSA-N 434.928 0.743 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833422637 FJQQMBPNGBUQOX-WMLDXEAASA-N 430.977 0.727 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835832047 XVYRFUXIAUJSQB-WMLDXEAASA-N 428.961 0.503 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836055211 AVBSELKVSCODLM-KSSFIOAISA-N 441.326 0.649 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836395157 VCIXUFFQRIPKJV-HNNXBMFYSA-N 427.933 0.127 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3C)CCO2)C1 1836554437 FOLCLUJWPZGBOC-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)Br)CC2)CC1)C(=O)O 1837886609 OPLKDEXUTYSMFZ-DOMZBBRYSA-N 448.358 0.831 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837944488 COWCRRASYQEOIT-DNVCBOLYSA-N 440.884 0.652 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624539 LGZVZFGXLNXSHW-AUUYWEPGSA-N 439.875 0.956 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839961981 PHLRAVVVDNEJFM-YWPYICTPSA-N 427.723 0.216 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030616 QDMUNOFQICIJKK-UGSOOPFHSA-N 448.358 0.389 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840150685 OZXCYITWICZRNM-XLIONFOSSA-N 440.928 0.471 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840155094 POHNIZIETIGVIF-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840199340 WYZLPCNBTFSWRX-MAUKXSAKSA-N 434.631 0.408 50 20 ICGD O=C(c1cncc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011738 MSIICPOCTKJWHQ-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)cc2NC1=O 1844730879 QWUIMYNPCKPFFG-AWEZNQCLSA-N 443.504 0.596 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CC1 1847567935 GKEAFLYBVFCOHQ-HRCADAONSA-N 444.960 0.341 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848194467 MSPJQVHUJCHJGQ-IRXDYDNUSA-N 447.222 0.838 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 25262992 PVIZKWRCCSFZNC-UHFFFAOYSA-N 432.389 0.812 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)nc2ccccc21 26539474 AUNPRDRBGFJSEW-UHFFFAOYSA-N 435.531 0.730 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 27758290 SNFNGKCGDAERRV-UHFFFAOYSA-N 447.473 0.930 50 20 ICGD OC[C@H]1O[C@@H](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 514286914 OLQMHXVVWOYMOW-GNADVCDUSA-N 439.448 0.964 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1Cl 725908270 IEHWQNCPOUFFLA-UHFFFAOYSA-N 445.910 0.355 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@@H]1CCS(=O)(=O)C1 728179356 IQQUTTKPZPJETC-CYBMUJFWSA-N 435.593 0.567 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 729407923 KHEXUGJZNUKZSO-NXKLLUPASA-N 437.518 0.893 50 20 ICGD COc1ccc(C(=O)NNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(OC)c1 730028046 IHPCGCFFPYQYAA-UHFFFAOYSA-N 440.416 0.884 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N2CCOCC2)c(F)cc1Br 734416207 OKRSUVLOORNCPB-UHFFFAOYSA-N 440.247 0.610 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)NCc1ccccn1 735521642 IKJQRLUGAZMBJG-UHFFFAOYSA-N 444.473 0.377 50 20 ICGD CCC(CC)NC(=O)C(=O)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 740763087 WTXXTRSYRLREQW-UHFFFAOYSA-N 446.551 0.557 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 741208009 XBGVISYFLHVTCV-CQSZACIVSA-N 438.554 0.818 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744570325 AOSYPSYNZZOVRT-LBPRGKRZSA-N 448.432 0.369 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cn1C 750662192 AYVVFEILBVRBIO-SNVBAGLBSA-N 425.536 0.654 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)cc1I 760311195 KRKXCQBTALOLKW-LURJTMIESA-N 444.197 0.765 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(Cl)c1 762539035 JMESLCJLZFGGFU-JKSUJKDBSA-N 429.926 0.769 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)n[nH]1 763155497 UMYIVGMZGGUACP-CYBMUJFWSA-N 425.449 0.762 50 20 ICGD CCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 763437507 FFAVMYIBLJGYGR-UHFFFAOYSA-N 439.538 0.813 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(OC)c1OC 763645921 FEPMQNKFLOKUHQ-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1ccc(=O)n(C)c1 763881525 FXQRRJLSIGXUKD-SNVBAGLBSA-N 437.250 0.701 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)CC(C)C)c1 763889140 ZAANIPAUGYEHCH-UHFFFAOYSA-N 441.554 0.915 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 764002684 QDJDYRVGCRHBBJ-VIFPVBQESA-N 437.396 0.625 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764066607 PQZJCTSASBZOKC-UHFFFAOYSA-N 431.493 0.025 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 764317768 ROZXXRFGGXDZQQ-UHFFFAOYSA-N 440.522 0.762 50 20 ICGD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764433268 LRYZXNQWHZWWNY-LLVKDONJSA-N 427.479 0.724 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(Cn2cncn2)cc1 765737397 YYOQNKBKBDJZPE-UHFFFAOYSA-N 447.499 0.545 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c1 768085014 RELONDCHHHQXQK-UHFFFAOYSA-N 449.493 1.000 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 770168357 SPGFGPNCTIEUJU-UHFFFAOYSA-N 426.417 0.492 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-c3nc[nH]n3)cc2)cc1 770211587 FTTBWBXRGLWVFX-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD CCc1nn(C)cc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 770788597 VAGJXBNFCXVCMR-UHFFFAOYSA-N 448.549 0.058 50 20 ICGD C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)NNC(=O)CC 771963123 MSRYADXZWQPLNJ-LRTDBIEQSA-N 428.445 0.641 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 771988792 MEKJOSDWADHTHI-LBPRGKRZSA-N 429.495 0.828 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)nc1C 778421695 QFOAMYKWVLRNJX-UHFFFAOYSA-N 425.405 0.864 50 20 ICGD O=C(CNC(=O)c1cccc(O)c1)NNc1ccccc1S(=O)(=O)N1CCOCC1 778943180 ZHKFFULAPPLZMQ-UHFFFAOYSA-N 434.474 0.286 50 20 ICGD CCNC(=O)N(C)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 780710836 YCYBECWUGQFLFD-UHFFFAOYSA-N 434.522 0.849 50 20 ICGD Cc1ccnc(Oc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)n1 784004467 OGHYQKFULHCFOW-UHFFFAOYSA-N 438.400 0.686 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C(=O)OC)c2)cc1 784853713 MVGHIPDYMQXLJD-UHFFFAOYSA-N 428.401 0.458 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cn1 790891392 QROMYMIBDCTNLV-HXUWFJFHSA-N 425.449 0.789 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 791495502 ZVMHOZMWLRQYCS-SFHVURJKSA-N 430.461 0.618 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 805835790 SVZYOFCRYJORDD-ZDUSSCGKSA-N 435.547 0.436 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 810317743 CDHBVVREDSVTNF-UHFFFAOYSA-N 443.507 0.154 50 20 ICGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)C2CCC2)N1Cc1ccccc1)C1CCC1 810380515 ZDNUPTBCQLCJSR-KDURUIRLSA-N 441.532 0.915 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1 810663506 XERVFQGTMHSJRY-UHFFFAOYSA-N 441.469 0.933 50 20 ICGD N#Cc1ccncc1N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 814295748 DZICUJXREQYGCC-UHFFFAOYSA-N 435.492 0.523 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=C1COCCOC1)N(S(C)(=O)=O)CC2 814759162 SROPATPSASKGIH-MRXNPFEDSA-N 441.506 0.472 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN([C@@H]3CCSC3)CC2)c1 816810405 KXIIUGHGMPMYRZ-MRXNPFEDSA-N 440.591 0.915 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncncc1F 817082367 UNIYKQJIRDWFMI-CYBMUJFWSA-N 429.861 0.946 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 914605649 QRPBMTVSQPHMKY-LLVKDONJSA-N 435.499 0.098 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1 916232319 MUDGKNFAFRBDTI-UHFFFAOYSA-N 426.476 0.572 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2S1(=O)=O 917908903 ZGSRIQBPFXNAGL-UHFFFAOYSA-N 428.426 0.563 50 20 ICGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)COc1ccc(Br)cc1)n1cccn1 918690336 YOKPBLWKFWFZNV-GFCCVEGCSA-N 438.282 0.891 50 20 ICGD COC(=O)CN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920853020 GBUUDQQJEAPPSQ-XNTDXEJSSA-N 425.445 0.972 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=S)NCCS(C)(=O)=O)cc1 1322483389 OJXROCKBATYRAF-UHFFFAOYSA-N 428.565 0.261 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 1337084199 GLQUAHKSWBRAJL-UHFFFAOYSA-N 435.458 0.596 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781211144 KCSRKORHXMDUQL-CKFHNAJUSA-N 433.933 0.719 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1781226902 CLHWBTJRIXZIBW-OALUTQOASA-N 435.396 0.690 50 20 ICGD O=C(CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCCC1 1781325282 BACYFUYWPDMJFL-DOTOQJQBSA-N 434.306 0.909 50 20 ICGD O=C([C@H](F)Br)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1781334458 NZIOBTRSMCCBKL-SDCOAXJVSA-N 446.317 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccco1)C2 1782210286 MVXXBSYEUBCRDT-OZOXKJRCSA-N 436.509 0.200 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783352462 GPAJHMNNLQIKIH-IAQYHMDHSA-N 432.344 0.900 50 20 ICGD COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1783765191 GQFYUBOAVFHLIN-XEIOYGOASA-N 426.897 0.308 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786873849 BDYZANAFWVRBOV-YOPIWALVSA-N 425.327 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNc4ccccc43)[C@H]2C1 1786879701 URTGLFJXJUMARZ-NFBUACBFSA-N 443.548 0.548 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982202 QYHMLMPBLQKVFL-VDGAXYAQSA-N 426.322 0.540 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787396938 DAOZIVUUHOWEMN-SLZITWOASA-N 430.958 0.246 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC34CCCN3CCC4)[C@H]2C1 1789823047 PRXZSIWLNVHXNV-FHWLQOOXSA-N 449.596 0.358 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 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CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799796535 ILSKUJFQEIFXEW-LZDSYCOUSA-N 440.884 0.464 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1800974432 UVVFIPQTNBMWDY-CXHZTBPHSA-N 425.869 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)(F)F)C2 1800977122 RVCLEJZKOGRNNT-LYIQGSDWSA-N 438.834 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 1802337877 XBNDNEYHDKLEJJ-MUJYYYPQSA-N 443.504 0.642 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1803009294 SKFVNHVLUCCZKQ-XNRPHZJLSA-N 436.314 0.805 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805889349 HFFKOJATSJPSBC-MJGOQNOKSA-N 433.277 0.128 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806380813 OGPYNJIIVZKDDP-KKSFZXQISA-N 433.509 0.414 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)nc1 1809977635 AJGYEFBPLMXQNT-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1811198481 MXBOHFXIAANMHL-GHTZIAJQSA-N 440.504 0.408 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071316 QYKQUWJFIWZXMU-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(Cl)Cl)[C@H]1c1cccnc1)C(=O)C(=O)O 1813081121 IYQBECLUQDOFKU-WCQYABFASA-N 431.276 0.434 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1=COCCC1 1815348654 UXVMMGZNIMOHOJ-OAHLLOKOSA-N 427.291 0.743 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cccn2c(O)nnc12 1816962996 WEOBMFRCNCXMDV-KCJUWKMLSA-N 436.881 0.717 50 20 ICGD CC(C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793442 NPMQYAAZZXYJJN-MEBBXXQBSA-N 432.506 0.384 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)nc1 1820251965 FAKCIGVYNZWUGX-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)COC1 1823873390 VKFVQULZYFLKBA-GOSISDBHSA-N 429.521 0.955 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827582507 WVWBLACUEHYIDR-LAKWHSQZSA-N 431.541 0.026 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829758019 PUYUZHZWFJKLDJ-KRWDZBQOSA-N 443.602 0.501 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c1F 1830535155 JYAPMWPUCBKBAJ-PIGZYNQJSA-N 447.305 0.958 50 20 ICGD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870563 ALXOKQZUOBJDKV-GOSISDBHSA-N 426.558 0.642 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831994659 LEZVLXSDGXQHNA-KRWDZBQOSA-N 425.309 0.978 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832522494 FNVUDBDJMFQVMV-QCECMTGHSA-N 432.945 0.495 50 20 ICGD C[C@](O)(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1833308590 WGXXCYSMYRDBAT-BBRMVZONSA-N 429.867 0.471 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(Cl)nn3)CC2)CC1)[C@H](O)CCl 1833312685 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439.224 0.973 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1 1845384177 VDWDLKGTNUHZCJ-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD COc1ccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 9931234 SIIFQNQWQVZUSZ-LLVKDONJSA-N 425.492 0.198 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)Cn1nnc2ccccc2c1=O 15709442 JDZHAYUKVBBDON-UHFFFAOYSA-N 432.234 0.780 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 26974167 IAXVURFHZJLNKM-VGSWGCGISA-N 438.440 0.749 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 27193354 JEWCQFLBYKAREU-ZDUSSCGKSA-N 445.501 0.863 50 20 ICGD CC1CCN(C[C@H](C)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 726441155 RVJFRJSJWQLBCX-AWEZNQCLSA-N 427.596 0.697 50 20 ICGD COc1cc(C(=O)NNC(=O)NCC(=O)N(C)CCc2ccccn2)cc(OC)c1OC 727473200 HCRFBRUXAYTMQX-UHFFFAOYSA-N 445.476 0.753 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1OC 727764648 DYJQVMZXFXFUJX-QGZVFWFLSA-N 434.474 0.975 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NN(c2ccccc2)C1=O 728890125 XCQDWJKKFCRRAY-AWEZNQCLSA-N 436.476 0.179 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)NCCCc1ccccc1 729282220 MYHZBMNADRXYPU-UHFFFAOYSA-N 431.518 0.798 50 20 ICGD CCN(CC)CCC(=O)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729817060 UDLUUKPPWHIJSM-UHFFFAOYSA-N 432.568 0.984 50 20 ICGD CC(C)(C)C(=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 733909339 JVQVXXGBYZVNHF-UHFFFAOYSA-N 425.507 0.403 50 20 ICGD C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cc2C1=O 741826924 UBRIVKNFMMZVHJ-UHFFFAOYSA-N 432.392 0.958 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(Br)ccc1O 743731930 DHEQSRQSGKAZOI-PVFTVIPPSA-N 434.246 0.723 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 744385253 GJVAGFGSUGSBBZ-UHFFFAOYSA-N 444.499 0.662 50 20 ICGD O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)[C@H]1COCCO1 745801413 YSDIRHCSGXWJFA-QGZVFWFLSA-N 428.449 0.649 50 20 ICGD COc1cc(C(C)=NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1S(=O)(=O)C(F)F 747049383 OJLMTQBUCOHRMR-NSHDSACASA-N 439.462 0.902 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)n1C[C@H]1CCCO1 748368937 BUNMRVVFUQVDAN-QRRJMBGHSA-N 449.577 0.624 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)Cc3cn4ccccc4n3)C2=O)cc1 753292536 QWNJLSHHGJYCQL-SFHVURJKSA-N 431.456 0.880 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 756093705 IDKGMEYVLRTZTG-DSIZOQBWSA-N 428.445 0.212 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCC1CCS(=O)(=O)CC1 756755276 XBQXIYSLFYXBBA-UHFFFAOYSA-N 437.566 0.354 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 756851898 WMNQKOIXXLBEAN-LLVKDONJSA-N 425.442 0.890 50 20 ICGD COc1ncc(NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1C(N)=O 757691784 IBIHPHJTVWYOOE-UHFFFAOYSA-N 439.432 0.946 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763864657 DZRJRIDVYQBTED-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764003612 JGUWYMFIIVSMBC-UHFFFAOYSA-N 436.363 0.856 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)c1=O 764308581 FACHVNLPZSKHHM-UHFFFAOYSA-N 428.445 0.475 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc1 764406349 SVUZNBPWUBLWKQ-UHFFFAOYSA-N 448.501 0.248 50 20 ICGD C=CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 764818939 XYUNTHUWOAXDQI-UHFFFAOYSA-N 430.852 0.802 50 20 ICGD Cc1c(C(=O)NNC(=O)CSc2ccccc2O)cnc2c1c(=O)n(C)c(=O)n2C 765248574 FSHUQGJAZAJTBZ-UHFFFAOYSA-N 429.458 0.200 50 20 ICGD Cc1nn(C)c(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 766663723 MOTZYZSBKKEAHW-UHFFFAOYSA-N 449.899 0.869 50 20 ICGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 767743311 XBHZKKYAZUJYKJ-UHFFFAOYSA-N 432.912 0.855 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 768291509 NDJODFOPAOIQFG-UHFFFAOYSA-N 449.389 0.813 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(O)cccc3O)CC2)cc1 770405720 JFKXKFXWQRAOFP-UHFFFAOYSA-N 448.501 0.174 50 20 ICGD COc1cccc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 779982299 AZNDWGIZUQFBPX-UHFFFAOYSA-N 435.510 0.263 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 784002205 ATGQEHWTQZSIPZ-UHFFFAOYSA-N 449.895 0.674 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 784844447 XUKKPZFMIMKXOL-UHFFFAOYSA-N 435.462 0.193 50 20 ICGD NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 786055025 HYVFBBXZHIVMKI-XJKSGUPXSA-N 446.847 0.301 50 20 ICGD Cc1csc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1I 786823029 JZBOKXRNSSHMMI-SSDOTTSWSA-N 443.288 0.792 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 787895420 ITFKYGOMOWQFEF-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)COc3ccccc3O)cc2CC1 790183102 FDNYHJWRGKOWEP-UHFFFAOYSA-N 433.486 0.728 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1 792633243 YZLHFXUZWDAMEH-SFHVURJKSA-N 442.394 0.886 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C(=O)N1c1cnn(C)c1 793062780 MYFPZVQZBSPCSD-CJNGLKHVSA-N 443.464 0.171 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-c2nnco2)c1 797369448 XPEUCNVOFILIQM-UHFFFAOYSA-N 438.400 0.749 50 20 ICGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)C1CCN(c2ncccn2)CC1 805067897 HVQKCLUGPCUIOO-CQSZACIVSA-N 445.446 0.287 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 807240055 MPUYRAOQKYHWTQ-ASSNKEHSSA-N 447.492 0.793 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCn1cc(Br)cn1 807532737 WXFNGYYFCAYPLU-UHFFFAOYSA-N 427.215 0.963 50 20 ICGD Cc1cc(C(F)(F)F)nn1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 811244447 RBWUNMNBYJBFCS-ZDUSSCGKSA-N 442.350 0.741 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccoc2C2(O)CCOCC2)cc1OC 815451419 LWLUHMOYHZCKJO-UHFFFAOYSA-N 448.428 0.913 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc2)C1 864231782 SFKCEEYDYWVIOQ-ZNMIVQPWSA-N 430.357 0.591 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CSCC(=O)N1CCOCC1 871021862 XKRNAFKDZGMHJC-UHFFFAOYSA-N 446.323 0.567 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1nnc(O)c2ccccc12 916294526 AQSQWBUQOQOZPL-UHFFFAOYSA-N 430.446 0.258 50 20 ICGD COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1318962993 RHMOJZZSRIHOHY-UHFFFAOYSA-N 449.457 0.847 50 20 ICGD CCc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1C 1320839752 NHTBKBFVTUWCKF-UHFFFAOYSA-N 448.549 0.058 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 1322669242 JGOJYJCGJCECPC-MSOLQXFVSA-N 431.541 0.401 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)c(=O)nc1O 1778027637 PRXYOQRISHMJOH-UVBSCNOISA-N 430.864 0.306 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779195518 DQJLWSGDPFAFSI-GTACMHHNSA-N 433.933 0.972 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)o1 1779586059 MAQPBTUIMZHYOK-FQEVSTJZSA-N 428.449 0.047 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780220542 GMUOJNKDIHLQKL-GUYCJALGSA-N 428.276 0.655 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781232538 KDVTUPRPQMRRLA-SJORKVTESA-N 433.292 0.627 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3Cl)C2)C1 1781680310 OPMQQEVFCKEWDU-NRFANRHFSA-N 446.671 0.916 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786644 BVXAXLKPPJEOFI-UGSOOPFHSA-N 426.857 0.604 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1784812562 IJZVENCYOZOVGB-ITSXBRTRSA-N 445.520 0.767 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1791064738 HBXWDLWLCIVLOM-RFGFWPKPSA-N 427.299 0.619 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791685101 JJEGRHUPIWBDPY-DGTMBMJNSA-N 429.319 0.245 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1CC1 1792638095 UTOHIJPZUXIYFK-IARIHHJXSA-N 445.944 0.575 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792872920 GMALRGVLCBDBPU-SLZITWOASA-N 432.359 0.912 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n(-c2ccccc2)n1 1792978488 WOGWASLECNJDPS-QXGSTGNESA-N 432.908 0.984 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1794038889 SWALGIGHQUQQDN-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794079072 KTPCTBKHMUPZEU-KAOXLYBCSA-N 447.344 0.675 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973617 SHGIHLRFAHXXBZ-MSNRECKUSA-N 444.319 0.066 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(s1)CCC3)C2)c1cccc(B(O)O)c1 1795737567 WLLYYBGXOIQAOF-CWPLJXCYSA-N 440.330 0.434 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccn1 1795879927 HUURJIFYKYTISW-FFZFCVPESA-N 438.488 0.348 50 20 ICGD COc1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)ccn1 1796189866 KAPQKRCTYSFYRW-ACDBMABISA-N 437.305 0.655 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)[C@@H](O)C1 1796367740 RWGZXBVVGUOARS-JLZCTACVSA-N 449.907 0.338 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(F)cc1 1799051829 HUNRYHFWUKHQRG-PEZLKRJXSA-N 441.887 0.192 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)N(C)C(=O)OC(C)(C)C 1799135015 RCTIEOHTFWTLMH-NIFZNCRKSA-N 433.933 0.431 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799671408 HNRHIKMUVLERLO-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800641554 DTSFAXDLXCXYTH-DTHBNOIPSA-N 430.259 0.695 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1800981482 NPLJKWISNWLMGF-LPYJRYEISA-N 447.919 0.740 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1802058126 DVZIBGDBSIRAES-IVSAIRAKSA-N 445.944 0.433 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1)C(=O)O 1807207499 ZEYWVIMWHCNOPQ-MYZSUADSSA-N 445.289 0.841 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)o1 1807474510 WQHCCKJJNHRSGM-KKSFZXQISA-N 443.508 0.395 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969330 DIQGOBCZTLJPMK-UHFFFAOYSA-N 442.321 0.721 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792978 FQVYEPKHHMTBJH-NWDGAFQWSA-N 442.501 0.406 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cocn1)CC2 1819795435 MLHXIBXVWITMKQ-VIFPVBQESA-N 427.446 0.669 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822369877 RVGBWSQVYXBEOM-GOEBONIOSA-N 434.689 0.649 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)N(C)C)CC1 1823882605 QUDNFHFEEFPXDY-QGZVFWFLSA-N 438.573 0.250 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830736158 RSLKRQLLDHRTJL-DNVCBOLYSA-N 432.851 0.943 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CC2(O)CCC2)CC1 1832459386 KKFOQRLOUYVRQB-HXUWFJFHSA-N 428.338 0.905 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833091638 KRPVETLYTOTGSH-GOEBONIOSA-N 433.278 0.338 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3[nH]nc4ncccc34)CC2)CC1)[C@@H](O)CCl 1833310234 DQOBDSWCDUGEOL-INIZCTEOSA-N 434.928 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833665894 JXSUQVVRQGPQGT-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834777947 OFGMQJWSUUFKFE-OAJDRMGVSA-N 433.299 0.346 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798358 LWPAUULDLAULCS-IBGZPJMESA-N 435.761 0.569 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1)[C@H](F)Br 1836412834 XUEUJXZYGHEHLP-AWEZNQCLSA-N 432.294 0.991 50 20 ICGD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718168 UFXXSASLKYGQEW-ZDUSSCGKSA-N 429.861 0.530 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3ccncc3)CC2)CC1 1838616173 WOLYIEBXABUOCW-UHFFFAOYSA-N 445.564 0.996 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)nn1 1838832619 WIDAUJWVOFBKEB-AUUYWEPGSA-N 442.900 0.199 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840034283 HDGGUCAMVQZAMT-PXAZEXFGSA-N 425.283 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840155328 YADGQCZYDLNOAJ-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1840156717 XUFISWKEUUVVNS-YLJYHZDGSA-N 442.944 0.682 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380089 SCBZXHYSXNHSCS-OAHLLOKOSA-N 448.343 0.138 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840498101 QFZNTCRXCIVGSN-NVXWUHKLSA-N 446.273 0.477 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1F 1840700431 RBJVRAZGWPQXFO-KUHUBIRLSA-N 432.851 0.943 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)ccc1Cl 10414899 DVZHSBNYZNHIQS-UHFFFAOYSA-N 446.819 0.457 50 20 ICGD Cn1c(=O)n(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc21 14324776 JNQASGDKCWODGH-UHFFFAOYSA-N 430.490 0.484 50 20 ICGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 727352412 XHAFOCZCSSVJQY-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD COc1cc(C=NNC(=O)[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OCC(N)=O 730552794 MMIVMRHYOQRSMX-SOUVJXGZSA-N 436.509 0.763 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 730778313 MRZOXDBHYZHFEC-OAQYLSRUSA-N 442.428 0.394 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 732261685 OLKSAKGCOWVVLC-IYBDPMFKSA-N 441.550 0.896 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733851418 YHNXPZBCZIPAQB-CYBMUJFWSA-N 427.383 0.764 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 734807165 IOLWHPVQLSQIBA-UHFFFAOYSA-N 441.510 0.678 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3c(c2)OCCO3)CC1 735117915 JABNVKZRQLZRQN-UHFFFAOYSA-N 447.517 0.475 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cn1 735462967 ZTZPGWCXWXRKMD-UHFFFAOYSA-N 437.297 0.209 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)COCc3ccccc3)C2=O)cc1 737635258 XEYBDQKTLRIZPV-JOCHJYFZSA-N 440.456 0.826 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2ncnc3[nH]cnc23)cc1 743470865 YUGVCABRFOMDHR-UHFFFAOYSA-N 446.493 0.257 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744975681 QQOLQUAMPWAYTP-UHFFFAOYSA-N 430.442 0.477 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2O)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 748820921 YJDDATVFRMFQEZ-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CCn1cc([C@@H]2C[S@](=O)CCN2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 753813254 TZSFOVXXWAZBPH-AZYRPFHASA-N 449.533 0.487 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 756816968 URXRPFZVWISCMF-CYBMUJFWSA-N 448.439 0.605 50 20 ICGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 757762259 RLKJRPJGZXGINE-UHFFFAOYSA-N 429.462 0.182 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccnc(OCC(F)(F)C(F)F)c1 757904936 QTFSVYJQGGLEEN-MRVPVSSYSA-N 428.364 0.948 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 760337906 BFGOXEVWOVDNHW-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 762625053 UEDCVXWDXTXUEO-AWEZNQCLSA-N 431.409 0.071 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)nn1C 763842191 FJVPIDHATXCKSE-UHFFFAOYSA-N 439.476 0.884 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 763878730 UAIDOFACEJBOFR-LLVKDONJSA-N 430.392 0.681 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2-c2nnnn2C(C)C)n1 763892824 LEIRHNWBMYFTCM-UHFFFAOYSA-N 425.453 0.520 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1C#Cc1ccccc1 764002576 OADQWZKCNRFCEZ-KRWDZBQOSA-N 425.466 0.607 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764263485 GLIZBXZFMAAGPN-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 764317614 MFTZZQHXOBUHGZ-UHFFFAOYSA-N 443.176 0.908 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cc(F)c(F)cc2I)cn1 764358767 IGIMFVZQDNFBKT-UHFFFAOYSA-N 449.155 0.703 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 764427042 XTPRCOMSXYTDHH-GOSISDBHSA-N 438.440 0.391 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cncc(Cl)c2)ccc1Cl 768268973 KQPRJZLOBCPZIP-UHFFFAOYSA-N 425.275 0.659 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 778069631 AXSKIGQOCDOOQS-UHFFFAOYSA-N 437.288 0.137 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 782144906 IOEBWGPFRFSISY-QGZVFWFLSA-N 441.444 0.186 50 20 ICGD COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 782404107 FGTPZHKFOHLBIK-UHFFFAOYSA-N 447.354 0.523 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 782896274 DRCDTIOEZPGCIM-UHFFFAOYSA-N 433.446 0.417 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 789740982 LXPWNVGBUHWHQQ-CYBMUJFWSA-N 438.440 0.962 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cs1 792495257 AIUHEKRYSDNJKG-UHFFFAOYSA-N 437.547 0.369 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794598582 HOFWBAMMPMCCCD-UHFFFAOYSA-N 441.487 0.326 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)NC(=O)NC1=O 802067802 MUTLRCQDZHMXRB-IBGZPJMESA-N 445.457 0.611 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNc1ccc(-n2ccnc2)nn1 807429813 YCIATOLXIFYGLZ-UHFFFAOYSA-N 433.436 0.979 50 20 ICGD Cn1ncc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 807569228 KPURJYINFCTKEH-UHFFFAOYSA-N 435.491 0.822 50 20 ICGD CN(NC(=O)c1c(Br)nnn1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 811032856 YHMRMVJOMYDTAP-UHFFFAOYSA-N 446.306 0.827 50 20 ICGD O=C(CN(CC(=O)NNC(=O)c1ccoc1)c1ccccc1)NNC(=O)c1ccoc1 812487604 DCWTYGAPCLFHIS-UHFFFAOYSA-N 425.401 0.601 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc2N1 812558421 YXMNLBNETPKKOK-UHFFFAOYSA-N 432.414 0.362 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)cc1C 813373755 GPSNOGSAZPTGCF-KRWDZBQOSA-N 428.493 0.886 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCc3sc(Br)cc32)c(=O)n(C)c1=O 814785401 RVWVDOKELTXPBK-UHFFFAOYSA-N 444.336 0.862 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(OCC(F)(F)F)c1 815692391 PXQPAWQMPLPLTM-JTQLQIEISA-N 426.355 0.568 50 20 ICGD Cc1cc(Cn2nnc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c2C)on1 815964328 FINBGJZIESFKDH-UHFFFAOYSA-N 447.315 0.371 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 906373488 VDNGKUSBXNAPSI-UHFFFAOYSA-N 443.503 0.382 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 913055440 YHDBDCBYPGZTLK-UHFFFAOYSA-N 432.458 0.323 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21 915048239 ARFCKSYWUDTUCJ-UHFFFAOYSA-N 430.324 0.746 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c1 915593785 KWJNEOYNUHRRJH-UHFFFAOYSA-N 441.437 0.503 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)C(=O)C1=O 916108925 BKGHYQUXSZVFPU-UHFFFAOYSA-N 438.484 0.494 50 20 ICGD C=CCNC(=S)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125351 LMNMHWVCPPXKJM-CQSZACIVSA-N 442.563 0.634 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=S)NCCCN2CCOCC2)CC1 1318565890 BXUINTBUKJNUBQ-UHFFFAOYSA-N 429.587 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778051225 HLWNJBJXPCHGQA-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844888 KRZLOBBFKOLYDW-ZBEGNZNMSA-N 429.319 0.180 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1781997780 GINRXNPCDGRUPV-PMUMKWKESA-N 430.343 0.906 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1782862735 YJPGALBWMVNETP-NCUBMRRSSA-N 446.410 0.810 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1783847412 NOGGMERCELTJTA-KKUMJFAQSA-N 425.913 0.546 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21)[C@@H](O)CCl 1784091193 KYNCHXZHMDMXGY-RETIQXCHSA-N 425.898 0.279 50 20 ICGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1ccccn1 1786870494 PFZVRGPNNZSQFU-SIGLWIIPSA-N 429.290 0.752 50 20 ICGD COCCOCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140619 BGYDGZHXDCXHLB-UHFFFAOYSA-N 426.278 0.777 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCCCC3)[C@H]2C1 1788166715 YHNLFFNKNVLGLM-WBAXXEDZSA-N 447.511 0.951 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1788764687 RUBMETHJMAXVEN-AVGNSLFASA-N 440.491 0.923 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CC1 1792983338 HSUAQKRXINCUER-CRWXNKLISA-N 431.917 0.233 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006716 WEGBBABHYAGPBE-WJNVRWDZSA-N 444.286 0.554 50 20 ICGD CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1Cl 1796189238 OMTNHSNHRLDSLL-QDMKHBRRSA-N 430.701 0.871 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797643145 LSCZAAXSWIUKLD-YFSSQWDJSA-N 437.880 0.565 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(O)C1)C2)NC(=O)NCc1ccccc1 1799865655 GVIHJUYWMUAXBQ-NNUJQTDSSA-N 443.548 0.742 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c2c1 1800874298 WANHKPNGEOGOSG-BCDXTJNWSA-N 443.272 0.680 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802336937 BVCHPVHPWWHVSE-MUJYYYPQSA-N 436.582 0.963 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1805948434 RJRNWYRUQGMIDE-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cn1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)c1=O 1806295088 LCXUPUUGNKJPGY-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)no1 1807010687 NUXOPLWAMOKIBV-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367111 QCVBHDANKKRTJU-DYESRHJHSA-N 433.277 0.047 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)nn1C 1807369280 DTOBPKBXJYCUSK-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)cnn1C 1808658192 GFOHBLDETOVXHG-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069888 AQCGDLLQIMJIPJ-XEKJFNTRSA-N 445.520 0.580 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1813070239 FJQBCDFOMAHHOW-VGSWGCGISA-N 441.536 0.437 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)on1 1815354797 FMBZBBHPVMZWJP-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD CN1CCN(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)CC1 1817150082 IWZLOXPIFJLJSB-HOTGVXAUSA-N 426.949 0.639 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470532 UNJFPBSGPTZRFF-WMZOPIPTSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2)[nH]n1)c1cccc(B(O)O)c1 1817474386 FBKNFOQHFMTLHC-IBGZPJMESA-N 439.325 0.881 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cs1 1817474944 JFJUWVRLHUWFOQ-HNNXBMFYSA-N 440.294 0.748 50 20 ICGD CN(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402074 LNYQHQMVZLYQMR-MRXNPFEDSA-N 428.497 0.666 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1ccc(F)nc1 1820365951 BRWZMDGLBYQKLW-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD Cc1cn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)c(=O)nc1O 1824187419 HZYNUZAGNPEDJT-HZPDHXFCSA-N 440.928 0.477 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1825447266 UQIWHABVOCAROB-DTWKUNHWSA-N 428.316 0.915 50 20 ICGD CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1826947258 RNBMBHWNWZHAAB-IRXDYDNUSA-N 439.557 0.042 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720094 SSRWFIMLDONDMF-DYVFJYSZSA-N 434.276 0.110 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733761 SOOYUJHTXLFARJ-RDTXWAMCSA-N 449.287 0.421 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737082 CTIWMJMZRKRRCB-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832165980 ICCRQIKYNWBZDO-NILFDRSVSA-N 432.823 0.010 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1)[C@@H](O)CCl 1833310741 ZIBQVQYGRMSMSN-ZDUSSCGKSA-N 443.850 0.263 50 20 ICGD COCc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1 1833311778 DRKAWJYWWVYNDL-SFHVURJKSA-N 426.945 0.946 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3F)CC2)CC1 1835738102 DMEWGVBWZOTXOD-FUHWJXTLSA-N 432.500 0.228 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936969 MKSHRPQAFADWSO-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836395205 XZIZEMAMXXRDEQ-CABCVRRESA-N 427.933 0.174 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838026567 SZNGTLZVYINUSP-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1838394038 MMQLKULNWFOVJG-UHFFFAOYSA-N 440.504 0.939 50 20 ICGD O=C(Cc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198195 WSSZOVJZPIWNPG-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839964232 KLZKOIHYPUWYEV-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1840150948 UKENKHOFPOLLRU-MAUKXSAKSA-N 431.942 0.704 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840189669 GAKARUJMNLXNKM-BEFAXECRSA-N 431.316 0.850 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1840894316 KYZIOVXYCCPQEN-JPYJTQIMSA-N 446.548 0.620 50 20 ICGD Cc1cc2nc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)[nH]c2cc1C 1843011484 IBHVXPAGFVYCNC-UHFFFAOYSA-N 432.289 0.990 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1843103825 IDKOJRDQUVQENM-IHRRRGAJSA-N 431.917 0.160 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846447017 JCYHHCLTNXRHPH-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OCC(N)=O 15663472 UNZZTOYZVLQXLM-MRXNPFEDSA-N 431.401 0.169 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 105488003 RXDCKWPHBPUMMZ-UHFFFAOYSA-N 428.493 0.415 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCN(C(=O)OC)C2)nc1 726717325 RKWBRWXJWBWLRW-ZDUSSCGKSA-N 428.515 0.969 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 728370811 CHCQVCLDDAUGKS-UONOGXRCSA-N 427.910 0.774 50 20 ICGD O=C1CCc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c(F)cc2N1 728853867 FHNWOLAQOQKBKJ-UHFFFAOYSA-N 448.480 0.727 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)Cn2ccc3ccccc32)cc1 729667033 CYDOUYSHCNJBQS-UHFFFAOYSA-N 436.515 0.901 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1S(=O)(=O)NCC#N 731185606 BBYDHXXHEXCDTI-UHFFFAOYSA-N 427.442 0.509 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NCCN2CCOCC2)c1C 732156992 RFCLHXYSGJGSAF-RONKMWSCSA-N 431.537 0.784 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 734822176 SEVGUZHVMYUWMT-ZDUSSCGKSA-N 433.531 0.140 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc(S(=O)(=O)C(F)F)cc1 743334597 BOHJZBQWFJJMNI-HBJVGIJOSA-N 429.401 0.288 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccncc1 763462261 LIQSQBJUQPFHSH-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763528582 BPSVRTXBIWLCET-UHFFFAOYSA-N 434.474 0.870 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763570317 DLOGVWSAYKMECB-MRXNPFEDSA-N 426.364 0.332 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 763878944 UWRDCDZFNAZKKW-CQSZACIVSA-N 430.465 0.201 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764117001 LZWOGQGWRZJSRI-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764263626 JPJBZOHUSRJKQC-ZDUSSCGKSA-N 433.490 0.487 50 20 ICGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1 764386410 AYNSEXUQNQUHFM-UHFFFAOYSA-N 429.412 0.849 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)n1 764387409 LAGXPEJGZGPKRC-UHFFFAOYSA-N 425.449 0.936 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 765244172 SDPXXIPZBRTATD-SNVBAGLBSA-N 425.423 0.437 50 20 ICGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635599 AUNYXNDCPHGOQY-MRXNPFEDSA-N 429.521 0.287 50 20 ICGD CSCc1noc(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 767686545 BPZDLVUFQPVCGF-CYBMUJFWSA-N 436.446 0.396 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1 767853046 LOKKSJIJJNRHCA-UHFFFAOYSA-N 440.504 0.779 50 20 ICGD COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NNc1ccc(C(N)=O)nn1)CC2 768232320 RBNDQSSJRGJYEX-UHFFFAOYSA-N 428.449 0.401 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)nc21 770967128 CULZVEKEJMEESV-UHFFFAOYSA-N 449.468 0.752 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 772989039 BGVNRARHFLRJSA-NSHDSACASA-N 445.863 0.823 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1 773493036 TWUSZGSFSXRIJB-OAHLLOKOSA-N 437.416 0.205 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 777276726 ZNRGCPZPPLFCIL-IRXDYDNUSA-N 447.492 0.742 50 20 ICGD NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 777792764 WFOPVDIENFCSEQ-MRXNPFEDSA-N 446.504 0.940 50 20 ICGD N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 780663848 TYNFEOLWSIMASN-UHFFFAOYSA-N 444.473 0.118 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccnc(Br)c2)cc1S(N)(=O)=O 784836913 BXTUHDDEYQWCMY-UHFFFAOYSA-N 428.268 0.882 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 785727192 WGZVTFBPQOGDBM-ROUUACIJSA-N 429.473 0.740 50 20 ICGD O=C(COC(=O)c1cnnn1-c1cccc(F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 789103540 JXEIMNALPHWJJM-UHFFFAOYSA-N 428.336 0.933 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 794071323 HTENVYWEDZRAIW-QGZVFWFLSA-N 438.440 0.579 50 20 ICGD CN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369208 QFMPVOCGCWSRKN-UHFFFAOYSA-N 441.444 0.401 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)CSc1ccccc1O)OCC(=O)N2 797452220 AGUFKZZFWUZHIY-UHFFFAOYSA-N 439.471 0.834 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)cn1C 802047040 ONSUMFQCDLLJQL-UHFFFAOYSA-N 432.409 0.461 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 805067821 FTEVIDHXTRBUQC-QGZVFWFLSA-N 444.540 0.704 50 20 ICGD CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 808775433 AKRAIFXDHWGSJM-CQSZACIVSA-N 445.611 0.523 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c1 815377397 TUAVMRMHVBYMQY-UHFFFAOYSA-N 435.296 0.813 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 816875628 DQCJAJYBLOCXOP-AWEZNQCLSA-N 444.473 0.373 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc2)C1 864231781 SFKCEEYDYWVIOQ-RBSFLKMASA-N 430.357 0.591 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 912860973 QRLIUBJPFDNEIK-ZDUSSCGKSA-N 437.449 0.922 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)COc2ccc(OC)cc2)cc1 916229194 UGEQCNFGBOAYOJ-UHFFFAOYSA-N 436.490 0.654 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C(F)(F)F)n1 919690601 QLYSLLOGGYPSOR-UHFFFAOYSA-N 425.776 0.815 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)c1 1116838487 IWZBNAFOGMPVRX-UHFFFAOYSA-N 434.470 0.308 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1341635011 RRJBEDNCLMUULD-SCLBCKFNSA-N 425.511 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778014977 YFCOCFYYOOZJAD-XHBSWPGZSA-N 426.844 0.864 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778016180 KEJUDDJTCQZKPC-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778028055 HAHFGEQSYLPXPC-BKTMZONDSA-N 437.896 0.878 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105195 NONCMSLBRZOKBA-RKVPGOIHSA-N 431.375 0.236 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781232649 MWAQFIDFEZXOAK-JKSUJKDBSA-N 425.382 0.537 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1781903289 QLYCIAFYFASGGB-CGSPGFDNSA-N 432.359 0.397 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1783874651 ABJUEOPTZYAHCM-VOJFVSQTSA-N 439.925 0.971 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933321 URSPUNGJEWODKA-JOCHJYFZSA-N 433.553 0.767 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984414 KZHJAUVJHHCBEY-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1787506850 QQDPRDQAUFOOSP-WMDQAJGNSA-N 433.509 0.117 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1787628318 QSKZPCJAGLXUFT-JKQORVJESA-N 428.917 0.377 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1OC 1789542089 RFGYIALTTYAOOQ-AFIMGQEJSA-N 426.897 0.897 50 20 ICGD O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925989 ZIFUXBSPPGXPLQ-YVNDNENWSA-N 427.292 0.474 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791290831 PAXKEKAHZQHQRO-FHWLQOOXSA-N 427.505 0.525 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396954 NDDFRDOEAWZIHE-XUXIUFHCSA-N 442.310 0.065 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791599339 IEHYDUFFPKXODJ-INIZCTEOSA-N 432.525 0.940 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1793447141 WZEUNAOBYPQYBW-IVSAIRAKSA-N 435.974 0.409 50 20 ICGD COc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185653 CTZRCUDPLYZIJR-REPLKXPHSA-N 438.289 0.706 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796396961 UKKBRMWMTCRKPN-FMPTWSOUSA-N 439.354 0.572 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1796893721 OHJCLEKKGBCSOO-BDHJUDLHSA-N 439.476 0.016 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1F)C2 1797753194 WRYSXPWCEQNGFK-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2)[C@@H](F)Br 1799344401 LEXXWWBWABEPPO-NOXHYTERSA-N 434.306 0.669 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800939957 YNMHQSMBXAXLDL-WJRFWRBCSA-N 431.493 0.325 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1800973189 CEZMPXKTDAHQLO-YALNPMBYSA-N 444.937 0.547 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(C)(C)C)C2 1801013307 MNGKEVNBFIKXLO-CWPLJXCYSA-N 445.564 0.955 50 20 ICGD O=C(Cc1cccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807618319 DVFFWHFGBIPMLM-NFBKMPQASA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2C=CS[C@H]21 1812383072 MPFJWFOVDJNAPI-OUJGAGHGSA-N 449.341 0.956 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC=CO1)CC2)c1cccc(B(O)O)c1 1815356595 KCJVSKPRRVRNNM-GOEBONIOSA-N 427.291 0.741 50 20 ICGD O=C(COc1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815762425 UKPRGDNUNCFAQE-IBGZPJMESA-N 449.276 0.869 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1822861155 WXRJYMHDAZDXHG-PWJLMRLQSA-N 448.332 0.843 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060666 WIFZGBRWQXXWOS-OALUTQOASA-N 436.745 0.854 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1830329010 NELWXVXTKKVUDX-KDOFPFPSSA-N 430.509 0.053 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2cccnc21 1830730766 DLHISAPQRBWWJI-UZLBHIALSA-N 436.896 0.243 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833488655 OSFZEOFZEUINRA-ORAYPTAESA-N 440.884 0.652 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835820098 AAVCYZCXELEKBG-RHSMWYFYSA-N 430.977 0.463 50 20 ICGD CCc1nc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)co1 1835987263 OKLMGDHDUVRMFP-UHFFFAOYSA-N 448.568 0.795 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064483 QMDXPVRNNNVWCU-QAPCUYQASA-N 443.342 0.593 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836851715 YHJNJMBVIBIPAQ-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275057 CLJSNMFFENPEEX-IAGOWNOFSA-N 449.339 0.012 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839084934 RKHVEQICIRNBJK-CKFHNAJUSA-N 448.347 0.648 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150738 WEFFMTOWMYBVKI-HZPDHXFCSA-N 445.365 0.114 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839199496 OYUAQPGLSHAOGP-BBRMVZONSA-N 433.278 0.733 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc2C1 1839621863 WNTYHZRKBQKZPM-QFBILLFUSA-N 443.907 0.323 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cc1ccncc1)CCO2 1839660886 GTLAETZNRMNHSW-PLMTUMEDSA-N 439.940 0.970 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839963541 NTMABOIADGZQFY-KSSFIOAISA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839963905 AAFINKHZDOLYFE-PBHICJAKSA-N 429.315 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840150914 SKYBZTMXCQXWMO-WIYYLYMNSA-N 445.988 0.817 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840152001 TXQIZOCPKICMJJ-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841111504 XFPRKULHPONYCE-KGLIPLIRSA-N 442.944 0.848 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n(C)n1 1843180660 VLEFUHHELWVZGY-UHFFFAOYSA-N 439.520 0.748 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844211524 ALEJBABFANRDGK-UHFFFAOYSA-N 443.533 0.467 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c2n1 1844667005 DKAVJFIDQIGEPB-UHFFFAOYSA-N 449.471 0.701 50 20 ICGD Cc1nnc(NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)[nH]c1=O 11547848 PVKRZDIKSWYPLK-UHFFFAOYSA-N 431.272 0.048 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 725872567 YYVLFDZMLFVTNI-UHFFFAOYSA-N 445.451 0.918 50 20 ICGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 726076704 FHVWRAOMXOEAPP-KRWDZBQOSA-N 434.456 0.749 50 20 ICGD CCOc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1O[C@@H](C)C(=O)N(C)C 728437313 PZTIQUVSZPKOPS-STQMWFEESA-N 428.511 0.329 50 20 ICGD CC(C)n1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 733085100 ASUJIHMBOVZYIJ-UHFFFAOYSA-N 449.533 0.879 50 20 ICGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 734219599 VVJFDFOOPYAXIX-MRXNPFEDSA-N 437.522 0.424 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3c(nc2O)CCCC3)CC1 735117849 IDFNPCVYJJXGLU-UHFFFAOYSA-N 446.533 0.754 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 743535141 VCQZLDIVUICZJQ-UHFFFAOYSA-N 442.904 0.903 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1 744384271 KWXHUWSXOPEOBS-UHFFFAOYSA-N 445.483 0.786 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(N3CCNC3=O)ccc2F)c1 745068010 ZNQLUCOVZWIWLX-UHFFFAOYSA-N 425.376 0.845 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)NCc1ccco1 750715640 GKMIQHGZIRCBGH-SNVBAGLBSA-N 447.516 0.015 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)N2CCSCC2)c1 750828075 KZALVEMTGZOQNG-CQSZACIVSA-N 428.580 0.915 50 20 ICGD CCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 755367123 MVAFGYNENXCQPH-UHFFFAOYSA-N 441.510 0.107 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)n1 755601201 ZAPUVIGUVDLJSB-UHFFFAOYSA-N 429.481 0.624 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)N2CCSCC2)c1 756273612 JBUNLLLANNHEIJ-ZDUSSCGKSA-N 426.520 0.463 50 20 ICGD COC(=O)c1c(F)cccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 757645575 NOPXWOBDLUZENI-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD Cn1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(Br)c1=O 757689316 KQUGDGOGBUDTOF-UHFFFAOYSA-N 447.249 0.861 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 759284789 DCPYYKCOPHIMTG-SFHVURJKSA-N 449.485 0.777 50 20 ICGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 760127243 OAKIEYRJXMUTOY-DLBZAZTESA-N 440.522 0.609 50 20 ICGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 760196579 ZBKRKKYRPFXEEQ-HUUCEWRRSA-N 440.522 0.467 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nccc(N3CCOCC3)n2)cc1 762860838 MABUTSZCMFQGEM-KRWDZBQOSA-N 446.533 0.918 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1ccccn1 763466218 IBKSZLXKAXLWDF-UHFFFAOYSA-N 426.477 0.632 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 763737957 RCFXYOBVEPDQMQ-UHFFFAOYSA-N 447.448 0.412 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 763807696 FKKFTUGQOYIRNK-UHFFFAOYSA-N 445.435 0.933 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)cc1 763860465 HGUOAGSTMGBFKU-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c(C)c1S(=O)(=O)NC1CC1 763997804 BWUYONYMMGVMBT-UHFFFAOYSA-N 433.490 0.482 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cccc1S(=O)(=O)NC1CC1 764034620 SOELGHXSXHVTLH-UHFFFAOYSA-N 436.515 0.826 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)o1 764139536 XIHZWBNCAZOUJD-UHFFFAOYSA-N 426.437 0.497 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764280539 CUWNZDPWSZCVPE-HNNXBMFYSA-N 438.440 0.316 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccnc(N4CCCC4)n3)CC2)cc1 765749173 KJBULVGDQAJVIV-UHFFFAOYSA-N 437.548 0.964 50 20 ICGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 768260126 SEUWKTQLLZVNJJ-MRXNPFEDSA-N 427.255 0.134 50 20 ICGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 769767550 PNQQAYXXFDXZGK-STQMWFEESA-N 446.620 0.956 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 772955239 SFDRMDJWPFBDAE-ABTPSQJZSA-N 435.864 0.806 50 20 ICGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc21 782896358 GRPOUCKNGYSZKG-UHFFFAOYSA-N 444.517 0.762 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 784833222 LUKHPPVYCULJHG-UHFFFAOYSA-N 433.490 0.944 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787543618 KEKRNQIFPDZUDL-ZDUSSCGKSA-N 432.456 0.842 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1C(=O)N1CCCCC1 787554245 BDFJCODKNAELHZ-UHFFFAOYSA-N 429.477 0.329 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCS(=O)(=O)C1 793043246 SFZVHETXPLYUNP-ZDUSSCGKSA-N 435.256 0.494 50 20 ICGD NC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 799770216 REWOTLRHFYQGIN-UHFFFAOYSA-N 444.263 0.642 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CC2)cc1 800334653 OOZXWULEDOFWMN-JTDSTZFVSA-N 438.550 0.262 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 806978497 DJGZPXANCHCDLS-UHFFFAOYSA-N 426.477 0.691 50 20 ICGD Cn1nncc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 810386491 CHZCGXOVAXSTNG-SFHVURJKSA-N 433.472 0.528 50 20 ICGD C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 811636153 AFECNYFIFQSPGM-NSHDSACASA-N 440.526 0.320 50 20 ICGD Nc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cnn1-c1ccccn1 815964542 LULXMFUEQRIKDG-UHFFFAOYSA-N 429.300 0.290 50 20 ICGD O=C(NNC(=O)c1ccccc1-n1cnnn1)c1cccc(S(=O)(=O)N2CCCC2)c1 912642913 ILIJTBHLSKWWAH-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916726136 DIZLNCFTVNERMO-ZDUSSCGKSA-N 434.474 0.644 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1-n1cccc1 928989332 SXMKJAMPWADBOS-MRXNPFEDSA-N 425.401 0.355 50 20 ICGD CN(C)CCN1CCC(NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1116171150 HLENBWNZKQTLSE-UHFFFAOYSA-N 426.543 0.452 50 20 ICGD Cn1cc(F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778371634 FOJFVTBWQWXXOH-DENIHFKCSA-N 443.284 0.285 50 20 ICGD Cc1nc2ncccn2c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778629380 JJZIIKCVFRETTP-BXTJHSDWSA-N 435.912 0.765 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779032592 NUTOAKARRZPMMD-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779076354 YFPJOAJKMCCFJK-VQIMIIECSA-N 444.557 0.163 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779300983 CTYDTLBASRECBN-HXUWFJFHSA-N 446.617 0.738 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782049880 GUXSWUKBOWXGEF-VQIMIIECSA-N 440.884 0.704 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)no1 1782212355 WKKYXCKJDQLEKG-DYESRHJHSA-N 435.525 0.738 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1782867651 NCPWYLYNOBISRY-FZXOMJPYSA-N 433.415 0.370 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)nc1 1783944372 YBYFQOCGZKNHAR-MRXNPFEDSA-N 436.317 0.732 50 20 ICGD COc1cccc(OC)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092377 IBNMMLXOYRFYDN-WSMBLCCSSA-N 426.897 0.897 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785001806 ODBKFQZSDFZSOZ-GQGQLFGLSA-N 443.859 0.856 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785540948 NBNZHDAQVIDHLG-QGZVFWFLSA-N 445.639 0.528 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1 1786129370 LMNRZLNBJHKAMM-MRXNPFEDSA-N 443.953 0.451 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)nn1 1786406337 NXKHYJKDKKPEIX-OBJOEFQTSA-N 427.299 0.864 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790960651 PKNXJYHANQNXQR-FQKPHLNHSA-N 430.343 0.830 50 20 ICGD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740979 UVSFFGVFOWKHTK-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)cn1 1796538034 NJOLPIKFTXTUPG-FZKCQIBNSA-N 429.926 0.478 50 20 ICGD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)ccn1 1797245219 LODTYRISOYJBGT-REPLKXPHSA-N 436.277 0.285 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(B(O)O)c1 1800340499 DRUGKFKZMYCDAB-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC2(CC1)OCCO2 1800383291 XJNGHBSZOPDKFW-YYIAUSFCSA-N 430.929 0.763 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@H]1CCc2nc[nH]c2C1 1801269524 SWMYMQBSARUZAV-VOAKKNSGSA-N 429.290 0.795 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803682253 YSGAHUJFHQDVOE-QSFXBCCZSA-N 425.294 0.364 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805270498 KVNVHWJYSHLMPA-MGPUTAFESA-N 441.492 0.270 50 20 ICGD COCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806745927 DUHZWQMRZQDZPN-HNAYVOBHSA-N 426.477 0.436 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807364099 RZFYFYJVIZPCSM-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371407 UFZOMNGXCQYXLO-UGKGYDQZSA-N 438.337 0.469 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807376497 VZCBIFZJCKLSLF-RXVVDRJESA-N 443.272 0.595 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1808234242 RDYPNGLLRPQJKN-FZKCQIBNSA-N 425.917 0.788 50 20 ICGD Cc1[nH]nc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1F 1809974935 IWCBDEOHXIJFJI-UHFFFAOYSA-N 428.273 0.696 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814848269 SOTXGMVJMYQBTK-FABXCBLPSA-N 430.339 0.422 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815254800 ZYILHQUGGSIERD-IXDGSTSKSA-N 428.298 0.802 50 20 ICGD Cc1noc(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339545 GOZMTGOMILZASZ-CQSZACIVSA-N 440.290 0.967 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1817748336 VBDVGCDIDNHXPR-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827210260 DKKMQFFNWAFVIA-IBGZPJMESA-N 439.520 0.815 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831644514 YWRIDWMHDWBBDV-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833309375 SDOWILABRZXAJZ-KRWDZBQOSA-N 427.977 0.440 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1F 1833675129 SUNHVPVEDHCQON-DOMZBBRYSA-N 437.241 0.618 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835766827 PXSWTYOWHZSCTE-PXNSSMCTSA-N 430.977 0.226 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837533105 KDXNJQWRHRIFSF-JUHMNFSHSA-N 438.308 0.776 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839148976 PJHLTWLXSNSBSZ-ABAIWWIYSA-N 429.823 0.139 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840032807 KQLIBZBVMPACFV-BMIGLBTASA-N 446.258 0.171 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270905 OCKOSSWXAUBFBO-VMUDFCTBSA-N 437.306 0.684 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC=CCC1)CCO2 1840558244 SHYXCNLOZQVOIG-VXKWHMMOSA-N 436.553 0.562 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014617 GVUFQALWHLIODC-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1 11605936 AYZCNPUBHVQHQV-UHFFFAOYSA-N 442.501 0.717 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CS(=O)(=O)c1cccc(Br)c1 725742028 YYBGMKVNZXVWSR-UHFFFAOYSA-N 444.263 0.393 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 731500822 PAOCRDCPVMMUEY-UHFFFAOYSA-N 428.430 0.246 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 738497361 SLFAMTFMRMKGJT-INIZCTEOSA-N 428.511 0.022 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)N(C)c2ccccc21 744677808 OVYLREHIOLWQQU-UHFFFAOYSA-N 433.490 0.336 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)n[nH]2)cc1 746395981 WNPMCFUVOPTIQM-QGZVFWFLSA-N 440.504 0.327 50 20 ICGD O=C(Cn1ccc(O)nc1=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747787227 JZDODEINTPZIQP-IBGZPJMESA-N 433.468 0.723 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(-n2cc(Br)cn2)nn1 749367069 OCGTWTJMAGIWCL-UHFFFAOYSA-N 434.210 0.209 50 20 ICGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)CNC(=O)c1ccco1 751202727 WEIFZAGDFYRQEN-NRFANRHFSA-N 439.428 0.156 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 751206844 VVOWHEDRNIOHQG-UHFFFAOYSA-N 443.489 0.017 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1=O 752007779 WGQMWWFBBKLYKF-BBATYDOGSA-N 425.392 0.953 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(-n3ccnn3)c2)cc1 755400692 ZNFMUAILQJNVDL-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 756018998 AIONOMFLFITHBK-LBPRGKRZSA-N 443.526 0.794 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1ccn(CCN2CCOCC2)n1 756647886 WRHKVETWRXPAFS-UHFFFAOYSA-N 426.437 0.331 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048485 TTYNBSHQMRZKAX-HIFRSBDPSA-N 428.511 0.413 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 758056776 SVDIBBZMRICGNA-PBHICJAKSA-N 432.502 0.113 50 20 ICGD O=C(NCCCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758687149 UERWWWOGNXJVFU-UHFFFAOYSA-N 425.493 0.563 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H](Cc1ccccc1)CN1CCOCC1 758763387 IOXUMXXYQOFPDA-QGZVFWFLSA-N 426.477 0.294 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccccn2)c2ccccc2O1 763462719 AXRYBHKMFFXNND-GOSISDBHSA-N 439.472 0.942 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 763759852 DYDDTTQDPTWXPS-UHFFFAOYSA-N 439.472 0.625 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 763871626 GMYWEDMTLMXLCZ-VIFPVBQESA-N 428.380 0.354 50 20 ICGD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917567 YAYMUPPQHJSJJV-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cccc(Cn2cncn2)c1 763995865 ALUPOJQRLHLQHY-UHFFFAOYSA-N 432.238 0.817 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764198867 KPZJQJIAGOPCGG-UHFFFAOYSA-N 444.485 0.369 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc1 764202859 LMAVTKBZIMZRHJ-CYBMUJFWSA-N 428.511 0.522 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 764204985 WSFYAYJMHXBARW-CYBMUJFWSA-N 445.398 0.470 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1NS(C)(=O)=O 764278012 OOUIRYCBCPNXKY-UHFFFAOYSA-N 436.446 0.237 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)c2)c1C 764362738 HQMVRRIYUQEBPM-UHFFFAOYSA-N 439.432 0.491 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764386396 HQGMNCRIGSHKCX-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 764526560 VXFXVADKNDNGKK-ZDUSSCGKSA-N 432.458 0.460 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc(Cl)nc1 765118638 OSUNZVNYRRXORB-UHFFFAOYSA-N 437.909 0.503 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(-n4cncn4)nc3)CC2)cc1 766643973 NHUWBEMXGSUWCN-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656274 YQDOGZULCNFUFT-UHFFFAOYSA-N 447.536 0.897 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 767270472 YVTZBHYLTUWGQG-VAWYXSNFSA-N 445.497 0.818 50 20 ICGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)n[nH]c1C 771608406 SPTDFISUYLUOSU-UHFFFAOYSA-N 443.869 0.174 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 774327883 SCGDLCZJQSSMFL-NSHDSACASA-N 437.444 0.312 50 20 ICGD CN(NC(=O)CN(C)c1ncnc2[nH]cnc12)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202186 QRFHVSUOWBJHCS-UHFFFAOYSA-N 447.500 0.425 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCS(=O)(=O)NCc2ccccc2)c1 776612390 HDJFOIXLZFENTK-UHFFFAOYSA-N 426.520 0.836 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1)O[C@H](C)C2 784002707 KEKZCDWUBAWWHR-LLVKDONJSA-N 430.417 0.518 50 20 ICGD O=C(NNc1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784779418 KQFSMHSXVZCVAZ-SFHVURJKSA-N 428.420 0.922 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNc2ccc(OC(F)(F)F)cc2)n1 784801556 FKGDMNUGWCNTTD-UHFFFAOYSA-N 435.384 0.908 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)cn1 784831830 VTAWQXQOVKKYGR-UHFFFAOYSA-N 428.371 0.746 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 785598700 QYXWXVFGZBUOHB-SFHVURJKSA-N 435.502 0.763 50 20 ICGD O=C(COC(=O)c1ccc(O[C@@H]2CCOC2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 789198319 HAGQVOLADVBJTP-APWZRJJASA-N 442.424 0.999 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794071993 NRTJQSRRDSVHGF-UHFFFAOYSA-N 444.469 0.547 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1OC(C)C 794577343 UVRUJJFZSOXFRF-UHFFFAOYSA-N 443.503 0.904 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 795279821 FQHAWPHNTASPMR-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 799101670 QPAVXKFLELBLIA-KRWDZBQOSA-N 425.445 0.272 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)c1 810398819 IZHNDECOGMXITM-UHFFFAOYSA-N 429.458 0.558 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(CN2CCCCC2)c1 815690979 BHNQGRFPNVXGPA-MRXNPFEDSA-N 425.493 0.613 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 817051315 JUGCQZRCIDJDFE-JKSUJKDBSA-N 436.534 0.821 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(O)n2C[C@H]2CCCO2)cc1OC 844261153 DTNQXEMHISKCNP-GFCCVEGCSA-N 437.478 0.733 50 20 ICGD C=CCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 913435493 LSVGSJOJCGEFAH-UHFFFAOYSA-N 440.547 0.540 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccc(F)cc3)CC2)cc1 916735260 PMRWSZYQCJOPDE-UHFFFAOYSA-N 448.520 0.831 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 1515041803 FSFAYOIUTJUYRJ-KRWDZBQOSA-N 434.474 0.276 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777731028 CVTFMIDPPKNCLQ-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373161 IZFSUQVYZJJGPR-VVGBGTGLSA-N 446.552 0.186 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331736 VHQLTECSIZIZQJ-BZNIZROVSA-N 442.245 0.569 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1 1784298530 PELMFIGKSFSYNR-QHCPKHFHSA-N 445.564 0.834 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1785225324 QMCAKEPQXSLHBT-KDOFPFPSSA-N 448.900 0.272 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786818934 AIAIWXMIGOFPTQ-XNXDOXPPSA-N 446.552 0.474 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788724732 PLAILITXMIDAKK-PEDHHIEDSA-N 432.294 0.584 50 20 ICGD COc1ccc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1790139872 VXPICJAKDZWTHE-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1)n1cnnn1 1791917902 COWKFSMZTBLATB-AWEZNQCLSA-N 428.497 0.741 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2ccccc2[C@H]1O)c1ccc(B(O)O)cc1 1793177995 IQUFBSISESPTKF-QGAVKGNSSA-N 448.328 0.914 50 20 ICGD O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)ncn1 1794368496 OUWLXWVHJODDSJ-IWXIMVSXSA-N 431.218 0.069 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2c(c1)CNC2=O 1796188654 DMMJTXMXKCRWAI-REPLKXPHSA-N 433.273 0.175 50 20 ICGD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCCCCCBr)C2 1796343679 SBCUVOJZJZABCI-DFGXFYAUSA-N 447.418 0.988 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)[C@H]1SC(=N)NC1=O 1796429062 XCPXFFZUHAAFMW-ZZVJUGKHSA-N 442.614 0.230 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958904 XCGJQBZQHNHCQT-UZTWBRENSA-N 427.292 0.564 50 20 ICGD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)=Cc2ccccc2N1 1798436319 SCANKFYYSCLIPC-LORHWOILSA-N 433.892 0.602 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442709 PTKYGXYCDCIPEV-KRXQYRFLSA-N 430.509 0.242 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2)[C@H](F)Br 1799346229 LLDOSFPVFFMJFS-VKZHRDFRSA-N 426.246 0.852 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1800056162 WCCMZFZALJNNFM-LXTVHRRPSA-N 433.933 0.766 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670942 LOUBTASDSBQHMP-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805822692 SVJUFYSSRSEQIT-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1805948442 RJRNWYRUQGMIDE-XLIONFOSSA-N 433.277 0.128 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cc3cncnc3)C2)CC1 1807184197 CAFSSOGRXZZBJJ-UHFFFAOYSA-N 437.504 0.563 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365349 ODKZJMKQTXHZMY-CEWLAPEOSA-N 437.305 0.650 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374845 JYHMZEQTUBWOEI-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD COC(=O)CSCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969288 OKAJHJYHVKFSKH-UHFFFAOYSA-N 448.350 0.117 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1813074666 VAFQYIBUKZSGAJ-AUUYWEPGSA-N 430.465 0.468 50 20 ICGD COc1nn(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816314337 LMZPIGPEDZDPDK-HNNXBMFYSA-N 446.512 0.831 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nc2)[nH]n1)c1cccc(B(O)O)c1 1817476580 KWLJIAWNUWIILV-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1825994114 HWSWYIMZEHUUSG-WDEREUQCSA-N 440.909 0.624 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1826004982 XIWIULHZSMABQI-NRUUGDAUSA-N 435.955 0.886 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720286 WFTYAVDTSSWZMS-KDOFPFPSSA-N 448.303 0.413 50 20 ICGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830724328 FVVFVWZHNQYVDG-KXBFYZLASA-N 427.885 0.068 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1830726938 XFKRNXZSLBXCRB-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732180 VRYIQIOHCJRYJF-CRAIPNDOSA-N 446.957 0.007 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830960647 YILDCRXNPBBNRP-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1ccnc1 1830981370 AFAHPUDEOLZBIH-IOASZLSFSA-N 433.278 0.591 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873246 FLXXTHSTUJQJRR-IEBWSBKVSA-N 447.584 0.907 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873649 RLAGWULHQNQHDT-SJLPKXTDSA-N 435.569 0.670 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCn2cncn2)CC1 1831874858 NDIGPEANQXWHFR-GOSISDBHSA-N 433.557 0.661 50 20 ICGD Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1C 1833306224 NJDIJIVKCBHCRK-GOSISDBHSA-N 425.961 0.442 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834893633 DYBPNSGBZNENPH-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)c(=O)nc1O 1835082832 FSGBZQIWZQMLSM-INIZCTEOSA-N 443.907 0.363 50 20 ICGD CC(=O)O[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(C)C 1835646052 CVCMCGZUROUAFD-QZTJIDSGSA-N 431.961 0.745 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cn1 1835990522 UEFLKGLWGBEIAO-HXUWFJFHSA-N 438.601 0.661 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1838534562 PUFHTOMWZBCKDQ-RTBURBONSA-N 446.331 0.692 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839147368 OMIKUFOPABZPEE-DLRJPAPCSA-N 441.956 0.861 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840150457 LETWDCUZGJBDDS-UZLBHIALSA-N 441.912 0.343 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccn1 1840184878 HEKDZJKBMRAKET-HTAPYJJXSA-N 447.536 0.015 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188041 LDPLOJUJPNKWCY-HNNXBMFYSA-N 425.700 0.797 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258965 PAFAUAMTMIJYKI-OENTUMBLSA-N 427.509 0.796 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386497 SCQIWJMOCILDIW-OAHLLOKOSA-N 439.557 0.866 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847345522 FEQKWMJZTMWVPN-HOTGVXAUSA-N 447.448 0.607 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847571278 XHYHWVMCXMFAKH-JLSDUUJJSA-N 445.325 0.343 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)COc2ccccc21 15314780 HSGSJATVVOBSDV-UHFFFAOYSA-N 437.500 0.772 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n1 60111997 IOACHAOQLBJQAV-UHFFFAOYSA-N 426.524 0.027 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 725878498 XVJXZQMDASQCMC-UHFFFAOYSA-N 436.424 0.859 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 728204548 VLHDBBOWXVQPTG-UHFFFAOYSA-N 435.462 0.831 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 728889347 DMCXHMWGVVWFQL-UHFFFAOYSA-N 437.460 0.177 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Br 729275538 PJVFFVSZQGXOGK-YUMQZZPRSA-N 426.264 0.441 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)c1C 729276031 VVYQZYARRNQSSY-LLVKDONJSA-N 437.478 0.056 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 731849288 YXSYYHPRMHGAJS-LBPRGKRZSA-N 447.355 0.701 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cc[nH]c1)N(S(C)(=O)=O)CC2 732264847 ZDTRXHGDLZLIMI-OAHLLOKOSA-N 436.490 0.742 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NNC(=O)C1CC1 733193602 ZIBNWVFOTQWGKM-UHFFFAOYSA-N 435.333 0.857 50 20 ICGD CCOCCCn1c(NNC(=O)c2cn(CC(=O)N(C)C)nn2)nc2ccccc2c1=O 733267540 YQXGWJQLLSIIOF-UHFFFAOYSA-N 442.480 0.260 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 734239736 HDPSLHYNNIYRDO-JXMROGBWSA-N 441.510 0.926 50 20 ICGD O=C(NCc1cc(F)ccc1N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 740903888 VQWFSNPSEPDQKW-UHFFFAOYSA-N 440.439 0.782 50 20 ICGD O=C(C[C@@H](C(=O)NN=Cc1ccc(O)cc1)N1CCOCC1)NN=Cc1ccc(O)cc1 741765980 HBZBMKVBKDQAKO-FQEVSTJZSA-N 439.472 0.789 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744950560 WWDJFQKCGTUBIL-LBPRGKRZSA-N 434.412 0.557 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1 745001794 AAWULJPJJYKJEV-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)N1CCOCC1 745995842 DXZHNZMPPZOKSI-UHFFFAOYSA-N 435.300 0.191 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccccc1 755039221 QGNKIPINHWWZDZ-AWEZNQCLSA-N 444.517 0.956 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c[nH]nc2-c2cccc(Cl)c2)n(C)c1=O 755789139 JHBDQRSGTCABHB-UHFFFAOYSA-N 440.851 0.628 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(F)cc1Br 758176400 CUIZMROPWVZNNR-UHFFFAOYSA-N 426.264 0.305 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3SCCS3)CC2)cc1 761954063 ZAXVOTHUVDSLGV-UHFFFAOYSA-N 444.604 0.255 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 763420856 YNWWFFFAOCCDOD-UHFFFAOYSA-N 449.467 0.900 50 20 ICGD CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763557980 LPERPRXMEDXART-XQNSMLJCSA-N 435.506 0.776 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n(C2CCOCC2)n1 763577710 JYRWIRVMLWCFHC-MRXNPFEDSA-N 429.433 0.469 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 763628780 AYNUGDJGTOCJJO-UHFFFAOYSA-N 439.516 0.907 50 20 ICGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 763695330 RAZGKHFWVRPWSR-UHFFFAOYSA-N 449.261 0.642 50 20 ICGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C(F)F 763922192 UBRCSZVCVRAJMF-UHFFFAOYSA-N 447.406 0.852 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)n[nH]1 764106777 RYBUZIVESZHKGK-UHFFFAOYSA-N 425.493 0.650 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cncnc2N(C)C)c1 764230590 CDNYZHAJXOXXHD-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 764372368 YHVZENAFJQVVSQ-UHFFFAOYSA-N 438.462 0.637 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1-n1cnnn1 764404154 GGLQRANBNNFPOM-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD CCOC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 764474720 NACNYVQXSMBBMX-UHFFFAOYSA-N 442.494 0.086 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc2c(c1)CCO2 765118113 JFYFTISDHVBIPS-UHFFFAOYSA-N 444.513 0.389 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)CC1CC1 765632769 GOQWMRSJRVCGLJ-UHFFFAOYSA-N 431.540 0.057 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 767175100 WNMFUJHTGFXWSK-HNNXBMFYSA-N 446.551 0.238 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)c2ccccc2c1=O 770212175 NKVGFAXOXUZXSK-UHFFFAOYSA-N 444.473 0.137 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 778515550 PFASXJDHIRQINV-JKSUJKDBSA-N 440.478 0.024 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)c1 779494897 AGIRRYRYBPEAKG-HUUCEWRRSA-N 435.483 0.555 50 20 ICGD CCCc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1cccc(C#N)c1 784468983 LDPMUGNAGKXFBX-GFCCVEGCSA-N 433.494 0.787 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Cl)c(F)c2)cn1 785179190 WCPYOJZLDOCFPY-UHFFFAOYSA-N 425.852 0.435 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@@H](C)O)cc1 792163394 YVXIMZCANBKDTP-RDTXWAMCSA-N 434.518 0.550 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 792736718 PVOUMRLDQRBZDC-OAHLLOKOSA-N 437.504 0.955 50 20 ICGD O=C(NNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)N[C@H]1CCS(=O)(=O)C1 795527992 TUWSTDNHGXXATK-LSDHHAIUSA-N 430.477 0.661 50 20 ICGD CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 807379046 RGNQGZBLIWHQFJ-HUUCEWRRSA-N 426.562 0.200 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1OC 811507486 DPMSRWKUTQRIQO-UHFFFAOYSA-N 432.458 0.967 50 20 ICGD C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 813592790 SGXBPYLIMNJEGY-SMDDNHRTSA-N 433.442 0.397 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C1CC1 825456756 IZACKZHFPNNWKF-GFCCVEGCSA-N 436.412 0.175 50 20 ICGD CC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 915801694 BVVMZKWNRXDGPT-UHFFFAOYSA-N 445.497 0.914 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 916260357 XIGUPZXMCGUQLZ-UHFFFAOYSA-N 448.571 0.209 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)c1 917725960 YJVATOJVGQJQRM-UHFFFAOYSA-N 433.895 0.928 50 20 ICGD Cc1ccc(-c2noc(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1F 919888411 OBERVQHZPQNHTH-LBPRGKRZSA-N 425.442 0.634 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCCC2)c1 1318725242 GZSAHNSCXXCHDK-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)ccc1OC(C)C 1319012753 UFRQLBLEAREYBO-KRWDZBQOSA-N 434.474 0.974 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)O1 1778809109 LOKSOCXYOOABEW-SAJUPQAESA-N 445.520 0.380 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781219080 VHQCSLLXOBCMSR-IFXJQAMLSA-N 440.953 0.739 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781232534 KDVTUPRPQMRRLA-IAGOWNOFSA-N 433.292 0.627 50 20 ICGD O=C(CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCCC1 1781325294 BACYFUYWPDMJFL-WBVHZDCISA-N 434.306 0.909 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782141577 JJIRVQUTTZEHJZ-GKIWIXTESA-N 445.520 0.428 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782565890 OHYVTLFWWXHNFD-JJRVBVJISA-N 428.331 0.966 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783349129 HZWQKVVMLOWZNH-HWWQOWPSSA-N 436.303 0.054 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783349978 XRHLHMPQZNLJHD-ZUZCIYMTSA-N 430.259 0.935 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1783350081 ZTYCKALYRASCBD-ZQIUZPCESA-N 428.331 0.918 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1 1783847529 PBVZJVOIFLYEFP-QPSCCSFWSA-N 437.990 0.559 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1783935405 QUNKZAVXZWMODB-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783939516 GQDAFFYYGDLXRR-PIGZYNQJSA-N 440.324 0.506 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc(-c4ccccc4)o3)C[C@@H]21)[C@H](O)CCl 1784091830 DNAFILRTDJMSEC-JONQDZQNSA-N 434.880 0.930 50 20 ICGD CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1784320445 JFTOLTGRTSSBLH-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785090403 WLOFIIXCUFXPTK-HXUWFJFHSA-N 442.438 0.920 50 20 ICGD O=C(CCC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786321471 KSXLPGHRBPUAOJ-JBACZVJFSA-N 428.338 0.930 50 20 ICGD Cc1cc(C)nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1787189289 FXQWKBDDWHGCQV-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1787405620 RFKCWOAMNHPVEM-HTOAHKCRSA-N 433.347 0.444 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538467 ABOOXDMOLOGPIC-PLYYQAHHSA-N 448.907 0.359 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1789864314 PQCUFRRIKCBGMY-XQLPTFJDSA-N 426.901 0.254 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1790571891 ZXSZNCLUZOVDGK-ZPFDUUQYSA-N 439.351 0.141 50 20 ICGD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289377 WQMALAWXFFXPQR-IHRRRGAJSA-N 438.554 0.000 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793365478 YUOWKXPOSRAJQK-OXIQGZBJSA-N 437.356 0.656 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 1793537385 WJNJJGZUQPQGLJ-WKOABOCDSA-N 427.465 0.055 50 20 ICGD CC(C)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)C 1796171116 RUCLKOMBFIXOIA-YYAJDYIMSA-N 430.553 0.960 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1796444345 MMAUDLPJUNYEQP-GLPAEGGISA-N 431.493 0.137 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2n(n1)CCCO2 1797436812 HKWYLLVBNKOAPA-DJBIQUGXSA-N 431.262 0.559 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442803 FYHOUVNHPWNCPQ-YIYPIFLZSA-N 433.465 0.499 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccn2)[nH]n1)c1cccc(B(O)O)c1 1798853120 BTSPYJPPPIZXDW-BCDXTJNWSA-N 445.288 0.717 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)ccc1O 1800752313 BOBUDYJDTZWRRM-CLLJXQQHSA-N 425.445 0.662 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)s1)C2 1801011938 WQLMYRVYDWBDJJ-QHBPRCKVSA-N 429.930 0.373 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)CCNCC2 1801310910 AUBRDCVSUOVULS-REPLKXPHSA-N 442.564 0.395 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1802898379 WADDIEOBOZJRPD-WMLDXEAASA-N 435.912 0.904 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340835 OAAZNJMSHZIFDR-XJKSGUPXSA-N 432.340 0.917 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1CCOCC1 1806698178 KXEDJWPLAMUNTJ-CTNGQTDRSA-N 437.305 0.508 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807047488 GFMWKRYPMXWGHM-JTDSTZFVSA-N 435.601 0.532 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363684 FGILYCJNVDLGCE-NQIIRXRSSA-N 425.294 0.506 50 20 ICGD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807514172 PPVSMJJZGDOOLE-PGRDOPGGSA-N 447.304 0.057 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C2(F)CCC2)[C@H]1c1cccnc1 1813681633 DNMTWCWEZDSKKV-PKOBYXMFSA-N 425.269 0.973 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1)c1cccc(B(O)O)c1 1817474090 LVMRUPFUEQHKEN-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CC(O)C1)CC2 1819792889 DGCDZXZRKAYREP-YVNMAJEFSA-N 430.490 0.138 50 20 ICGD COC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792987 FUUGJPBAJQWLHT-QWRGUYRKSA-N 432.506 0.650 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822371215 ZNADTBXHVHNTPG-BXKDBHETSA-N 449.859 0.095 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056065 RJMRORDIFHZCCR-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896998 PQRNAHQILWQJTL-QFBILLFUSA-N 446.386 0.958 50 20 ICGD O=C(CCCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731786 PKXYULXBFZEXGS-XLIONFOSSA-N 427.929 0.715 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738779 SJODFSKTTPSXCI-YLJYHZDGSA-N 426.897 0.381 50 20 ICGD CC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1833255775 BKLAMMCOYKPHJP-QVWJKXSPSA-N 446.552 0.463 50 20 ICGD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nn1 1833311946 GMYIASVHHOLMGX-INIZCTEOSA-N 425.917 0.270 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331167 BMSLOVSPVCGSIF-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD O=C(/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2)NC1CC1 1834823332 OGKLTLNWTMMWKO-JXCVUKRWSA-N 444.326 0.063 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716671 IGWIBVZNDPJWDG-QGZVFWFLSA-N 428.961 0.867 50 20 ICGD O=C(c1cnn2ccncc12)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717527 XPNHDXYCSFZQPD-SFHVURJKSA-N 435.912 0.941 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837224319 MNVYCCJUBXLRAO-BXWFABGCSA-N 434.917 0.284 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnccn3)CC2)CC1 1837410038 DWMQMXLYIJSJGJ-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838640447 FXVIHSSVXLGZAM-SJORKVTESA-N 433.292 0.076 50 20 ICGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838722795 TXNHSQPBSGYMLJ-MRXNPFEDSA-N 449.017 0.723 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838753914 BCWXOKMAUBBLDA-OLZOCXBDSA-N 430.343 0.905 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1839761407 HBVXUFJZHVGKLH-LJQANCHMSA-N 442.585 0.638 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1839762226 CURXDEGTEPUMNP-GUYCJALGSA-N 447.326 0.570 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030806 WXOYCKZSGZSMDM-SJCJKPOMSA-N 429.315 0.582 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)no1 1840367222 UMHCOXSUFBJBME-QGZVFWFLSA-N 430.299 0.767 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347938 FKQRKXMNTBSBRN-SOUVJXGZSA-N 445.944 0.814 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN/C=C2/C(=O)NC(=O)c3ccccc32)cc1 16719896 OBEFKQAFMXTLSC-GZTJUZNOSA-N 428.470 0.547 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCO[C@@H](C)C2)c1 726258634 DYNYANGKYFBLJC-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC(C)C)c2)cc1 726612609 HFZWPPXTUYZWNC-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nccn3C(F)F)nc2)CC1 726710124 SEVMKGMQIKCIPM-UHFFFAOYSA-N 444.468 0.436 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 727762950 LSFLDDJBNUWPRG-UHFFFAOYSA-N 432.462 0.392 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C(F)(F)F 728328818 MERQOWKTUMWEMP-GFCCVEGCSA-N 428.323 0.583 50 20 ICGD O=C(CCCc1ccccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729510154 VDBRNFVSIKHUTO-UHFFFAOYSA-N 432.502 0.886 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1cc[nH]n1 730101892 DZTGAVJBOQLXNS-ZDUSSCGKSA-N 429.499 0.339 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 732575621 FYDKQZKBAMQXTQ-UGSOOPFHSA-N 425.445 0.535 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1OCC(N)=O 743831246 UCASGYQYRXUCJJ-UHFFFAOYSA-N 436.446 0.429 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 744453493 LBEZKIWQFNZSOT-QGZVFWFLSA-N 441.419 0.559 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 746638120 ZAAVDNUYGVPIAS-MRXNPFEDSA-N 435.440 0.849 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 749395167 BPSRYHILIXZGBW-GFCCVEGCSA-N 435.485 0.493 50 20 ICGD COc1cc(NC(=O)CN(C)CC(=O)NNC(=O)Cc2nc(C)cs2)cc(OC)c1 752330095 BAFSDILVXRUQLH-UHFFFAOYSA-N 435.506 0.729 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 753331658 XJGRKUVMUGDSMH-UHFFFAOYSA-N 433.446 0.804 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 755659504 VVXFUZBAWYHNQS-UHFFFAOYSA-N 447.517 0.757 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)n1 756854391 FBLLDEYRHZDXJK-AWEZNQCLSA-N 435.510 0.786 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 757764493 SPQYUEVNWBFUNH-SNVBAGLBSA-N 434.806 0.942 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 757870867 AXAYGDWMJFVWJY-OAHLLOKOSA-N 449.493 0.679 50 20 ICGD C[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCS1 758859115 AMGNDFJMCOHTBS-GOSISDBHSA-N 442.563 0.937 50 20 ICGD NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 760139292 PQHNNSRQRRHBTK-AEFFLSMTSA-N 440.456 0.698 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 760640188 HNCQHNURONWFTR-UHFFFAOYSA-N 448.549 0.606 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c2)CC1 761063546 KLYJJBTWSCOHGL-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CN(Cc3ccccc3)C(C)(C)C2)n(C)c1=O 761265536 AAGLPKBTJRSKHS-UHFFFAOYSA-N 437.504 0.590 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccncc3)cc2)CC1 763463143 WUMXBJXNYUTVHQ-UHFFFAOYSA-N 445.501 0.902 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1=O 763532775 VSZHQSINNKQOEL-CWTRNNRKSA-N 440.501 0.342 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 763558560 LKKDDHSLBNLHFN-UHFFFAOYSA-N 438.396 0.464 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C 763682758 VXXYOXZVXIXRGG-UHFFFAOYSA-N 449.485 0.962 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c2ccccc2O1 763753786 JYHZOYOWCUHEBV-QGZVFWFLSA-N 425.445 0.054 50 20 ICGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763917053 OHBPNWBWOKURQA-UHFFFAOYSA-N 437.416 0.168 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1I 764211963 NRUOMNSPDLSOKM-UHFFFAOYSA-N 426.161 0.217 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)C2CCC2)c(OC)c1OC 764335957 WHWFMYPQDSQHPA-UHFFFAOYSA-N 431.449 0.843 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764362193 AOKJLGLAFZSDMZ-UHFFFAOYSA-N 437.449 0.922 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cc1C 764399976 OMHDWAJZGIAJKQ-JTQLQIEISA-N 449.245 0.737 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 772045178 CEGRVYLZPPSQGV-LBPRGKRZSA-N 446.551 0.491 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061048 DQJPQQMOWHRPRI-UHFFFAOYSA-N 426.480 0.334 50 20 ICGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 776285557 NTWPWOKXDJMAGV-WBVHZDCISA-N 439.534 0.603 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n2nnnc2C)c1 778432862 BTTBFMQEUCHDRP-OAHLLOKOSA-N 433.469 0.446 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1-n1cnnn1 782888752 WBABOJIGRMPREG-UHFFFAOYSA-N 433.432 0.186 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 785060880 RHGFVFBNDIRXHA-UHFFFAOYSA-N 436.350 0.999 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 785067329 KSILRKHUEZXHKY-UHFFFAOYSA-N 436.428 0.615 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 785639324 CSFYKHFQMJTIHF-ZWKOTPCHSA-N 441.488 0.195 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1 789375854 WXJJCEHBIDNFRW-CQSZACIVSA-N 444.941 0.610 50 20 ICGD COc1cc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O 789869192 MILWTMKQZYDJCF-UHFFFAOYSA-N 437.474 0.663 50 20 ICGD NS(=O)(=O)c1cc(C(=NNC(=O)Cc2cc(O)nc(O)n2)C2CC2)ccc1Cl 794515250 JJNZSAKOWDOSPJ-UHFFFAOYSA-N 425.854 0.662 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 794728767 BPAGLLOOSCFADK-UHFFFAOYSA-N 447.429 0.584 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(C)c1 797003144 WZRZPKBPIVXYDT-KRWDZBQOSA-N 426.429 0.209 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368914 ISHZHFWHCUMJFS-UHFFFAOYSA-N 441.444 0.367 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 797369916 BCYIVPFTGSLYPR-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2)c1=O 797639480 ASTHKJWLLZZZMK-UHFFFAOYSA-N 439.432 0.650 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1 799256960 CHRIZMAQXPHXOX-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802469674 RNWZGBVLUJZYGY-CQSZACIVSA-N 426.433 0.030 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 811102948 FQVCKHFUDLYZQK-UHFFFAOYSA-N 449.457 0.799 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)COc2ccc(Br)cc2)CCOCC1 814100918 AWKDFRXGJRXPMW-UHFFFAOYSA-N 435.296 0.569 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(Br)c1 815692648 XKSORKLKYXQBOT-VIFPVBQESA-N 437.254 0.398 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 815692726 ZKYYBBDFZDTPOA-ZDUSSCGKSA-N 434.460 0.301 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)C1 816510510 XVGJBMLOJHITRJ-CYBMUJFWSA-N 430.465 0.586 50 20 ICGD COC(=O)c1cc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C 816689017 PPZCCZCMVFMWPV-UHFFFAOYSA-N 448.501 0.905 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=O)Cn3nc(C)cc3C)CC2=O)cc(OC)c1OC 913898150 UNDZNQLQHKMWSC-CQSZACIVSA-N 445.476 0.726 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n2nnnc2C)c1 915684884 KDHDFWPJISJGJE-LPHOPBHVSA-N 438.444 0.761 50 20 ICGD O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 915938437 VYPPUBYLGFZGJR-UHFFFAOYSA-N 432.444 0.649 50 20 ICGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916105832 MCZXJJHRJJGXGQ-UHFFFAOYSA-N 431.434 0.253 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cn1 919689111 XHIMIMKJIHPUDR-UHFFFAOYSA-N 425.898 0.883 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919886105 UHXZONZXAPVMHS-ZYHUDNBSSA-N 444.897 0.219 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1778317252 VJFWHARWIJZXLY-VBKZILBWSA-N 445.944 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1779031295 QSOBYFFEHWTSLG-HXUWFJFHSA-N 443.485 0.316 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780641840 FRFYTWSPXPRZHZ-XKGFGPFHSA-N 445.004 0.390 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780773741 VJKIFLYQGBQTPL-IIYDPXPESA-N 436.322 0.963 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781375016 BXJVHAKZNYDJPN-UZUQRXQVSA-N 438.289 0.277 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c12 1782517386 GICDXNKWMLRCKM-QHCPKHFHSA-N 448.288 0.080 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782959638 FIQJKZUCLOQWQS-HEHGZKQESA-N 437.356 0.567 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933039 PATJWOKCTUAGDF-JOCHJYFZSA-N 448.520 0.277 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980984 IEWJFOLZDWNWLA-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984894 VZYLNEYISYPMJZ-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056422 XZUWJXXYGUYFSO-CYDGBPFRSA-N 435.388 0.234 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 1791256897 YNADUBLEJRGVAF-DKIMLUQUSA-N 426.945 0.813 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794119485 IVZGOMATDWUGLE-ZWUHOBOKSA-N 429.926 0.321 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ocnc1C 1794855779 FBMZOLPIZXVYNA-QQGSHNGGSA-N 428.449 0.320 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2O1 1797826574 VBDCDCWQBCKGIV-UIVXKWKOSA-N 435.484 0.941 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798118094 WBBBJZCNAOUSMG-GBQKICQVSA-N 443.460 0.109 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnc1 1805463107 QHTPBMHDGOJVSH-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810137625 IAPNPCRKESQADX-NGIKDWRJSA-N 438.488 0.950 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713347 VKNNVWGJKOTHCP-HBFSDRIKSA-N 440.972 0.782 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814586310 LNAUAJHGACTNAE-UONOGXRCSA-N 444.001 0.946 50 20 ICGD Cc1noc(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355507 UREGUENSMBLQGJ-CQSZACIVSA-N 440.290 0.967 50 20 ICGD Cn1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1822834084 PMLIHPRDVSOQGE-SFHVURJKSA-N 436.281 0.372 50 20 ICGD O=C(Cc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050203 IKBWKJBNLSMOJF-HXUWFJFHSA-N 436.321 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1828925216 IFJJPCMAOSGNQI-ROUUACIJSA-N 442.520 0.197 50 20 ICGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830725979 MZWJGXAYUOWPAJ-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830726488 YTJLIPWDLOOUMU-RXVVDRJESA-N 440.924 0.684 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2ccccc21 1830727945 LFRGEOQZBQGBCQ-WIYYLYMNSA-N 435.908 0.848 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(OC)c1 1830732087 QXTPQOKAMLYISC-UZLBHIALSA-N 442.896 0.374 50 20 ICGD CN(C)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830732572 SXIUSPMWTIPVJF-XLIONFOSSA-N 425.913 0.422 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831174624 FOJCHTDMJXKIIR-HBUWYVDXSA-N 448.358 0.389 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)s1 1833144426 IJWLYCKELIDTTM-QAPCUYQASA-N 431.942 0.359 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819020 GKKFSPNUJCZOKY-SFHVURJKSA-N 448.358 0.390 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(C)C 1834823268 LWKUPHKESYHOHI-WMZOPIPTSA-N 449.342 0.816 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837561575 VTCPROFGALFAMQ-HGMDMCOWSA-N 442.310 0.940 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1837711344 FEISFGHEJYOHBQ-HXUWFJFHSA-N 443.617 0.017 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)ccn1 1837977176 YZVAYKZMMTUOEA-SFHVURJKSA-N 442.310 0.945 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839203484 MKGPAYBCTARTJA-GOEBONIOSA-N 433.278 0.110 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839980958 VBUNFMACQYEADA-KXBFYZLASA-N 432.851 0.563 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)CC1 1840035345 NTRHTMAVQCSKFM-GUYCJALGSA-N 447.326 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840155330 YADGQCZYDLNOAJ-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183586 NJGUSEURZDTTBP-HSZRJFAPSA-N 446.548 0.367 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840901694 QRBMZDITQRXPDY-NBQZKYEYSA-N 441.887 0.796 50 20 ICGD O=C(c1c[nH]c2nccc-2c1Cl)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011139 VKHACMROQDXZNT-UHFFFAOYSA-N 438.680 0.979 50 20 ICGD COc1cc(C)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1OC 1843014753 YADSUAMNBOQBFT-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015489 JZAVQZDTOXHZJE-UHFFFAOYSA-N 431.298 0.098 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022907 GOKQPABRQHNHOP-NSHDSACASA-N 441.351 0.878 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc2)cc1 28784905 OCTBNRUDAJHGPS-LBPRGKRZSA-N 449.489 0.704 50 20 ICGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726862631 YIZPSQZDQINQPF-UHFFFAOYSA-N 449.514 0.309 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNc2ccccc2S(C)(=O)=O)C(=O)C1 741284198 JAJIKJZSWGMANN-UHFFFAOYSA-N 426.495 0.613 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 746098934 QXTBTBIUSDEPCI-MRXNPFEDSA-N 442.859 0.960 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccc2F)s1 746239692 OVCSNBHNMLITGV-UHFFFAOYSA-N 442.494 0.192 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1 748829536 IGIRWNARCASUCA-UHFFFAOYSA-N 431.474 0.430 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(-c3ncccn3)s2)c1 749562133 VXDBVQYGJXXFJV-UHFFFAOYSA-N 432.487 0.925 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)C(F)(F)Oc1ccccc1 750280527 IZLPXEDAYZPEHR-UHFFFAOYSA-N 433.393 0.096 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1 751266822 KQNTZQSQUJSUDT-UHFFFAOYSA-N 436.475 0.757 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 751283512 XDMVMSMACCUDDK-UHFFFAOYSA-N 435.842 0.978 50 20 ICGD Cn1ccnc(NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1=O 757904974 CSNYKVNAEYNXLU-UHFFFAOYSA-N 445.443 0.949 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(I)c1)N[C@@H]1CCS(=O)(=O)C1 763304685 UKOIIDPZUVLMFC-MRVPVSSYSA-N 441.222 0.561 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763664264 TXOWIPICNDWDHH-UHFFFAOYSA-N 433.442 0.190 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 763680110 CHHGTQOANKNPND-UHFFFAOYSA-N 436.428 0.248 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 763785665 KVAUYXCTJVQSBF-UHFFFAOYSA-N 433.424 0.828 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 763839211 FWUATCVWNRVTHA-UHFFFAOYSA-N 430.392 0.943 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 763921280 LFPNQFXLDKHAHU-UHFFFAOYSA-N 429.780 0.444 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C(=O)Nc1cccc(-n2cnnn2)c1 764086965 YZTHODIFLJQHER-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 764130629 ANCMLXHOVCKWOU-UHFFFAOYSA-N 448.501 0.463 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)C1=O 764152900 HRXRCTSROSBDMM-INIZCTEOSA-N 437.412 0.175 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764229897 DMCKIULGFAJJHH-JTQLQIEISA-N 434.902 0.398 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)CC1 764278153 TYNPPUPJLUUAPD-UHFFFAOYSA-N 441.488 0.699 50 20 ICGD COc1cc(OC)cc(OCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 764373766 NSNXNTBQCOPVMI-UHFFFAOYSA-N 441.444 0.974 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccccc1-n1cc(Br)cn1 764431414 CRPLAYRYGNMJBW-ZDUSSCGKSA-N 438.238 0.136 50 20 ICGD COC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 768667511 XKJMKFUGZGIWNX-CQSZACIVSA-N 431.401 0.562 50 20 ICGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 769424281 PRRYDWCBQMZDJS-LBPRGKRZSA-N 429.315 0.820 50 20 ICGD C[C@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 771433544 LBWIKEZOEYVHFY-LSDHHAIUSA-N 440.522 0.467 50 20 ICGD O=C(COC(=O)CCCNC(=O)c1cccnc1)NNC(=O)[C@@H]1COc2ccccc2O1 772371748 AJACCFWYCOPFAM-KRWDZBQOSA-N 442.428 0.122 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 777599604 IVELFVGLGKAGKU-UHFFFAOYSA-N 441.487 0.379 50 20 ICGD COC(=O)c1cccc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 780789946 OEPSAGDUQUIMPO-UHFFFAOYSA-N 434.474 0.597 50 20 ICGD O=C(NNc1cccnc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784839448 VXUWWGBGTNMNAS-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1C(N)=O 789733190 HYDXACXGEXMFPO-QGZVFWFLSA-N 426.429 0.662 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1cnc[nH]1 792842479 IAMOMWIPNSNQOP-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 806968446 ITUTYMVKNMFHSA-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD Cn1nc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C1CC1 810278817 OWKNVWUVLMFCIP-UHFFFAOYSA-N 448.505 0.785 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 810317891 IYNFCSRYDNIIQS-UHFFFAOYSA-N 449.514 0.421 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCC1 811678494 WZNIPABYRWQAST-UHFFFAOYSA-N 432.524 0.277 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 811872746 RZWOHPRPGIFOQO-JTQLQIEISA-N 435.428 0.609 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751979 XATDFPRCWDCXSI-UHFFFAOYSA-N 435.462 0.737 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)CC3CC3)ccc2F)CC1 819114963 XXYLJAKFYVFBPX-UHFFFAOYSA-N 426.470 0.240 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 839521599 PHSISWMITWVVIE-GOSISDBHSA-N 439.424 0.958 50 20 ICGD Cc1oc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 915806944 WGVXOQAWAWTZKL-MRXNPFEDSA-N 435.458 0.974 50 20 ICGD COc1ccccc1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 915904490 ZRWYAGUZIIOLJP-UHFFFAOYSA-N 448.549 0.895 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1OC 915906060 GEKDKVVABYBDFV-UHFFFAOYSA-N 433.465 0.903 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1OCC(N)=O 916641048 SSJTUTVYXFSCEP-UHFFFAOYSA-N 440.254 0.794 50 20 ICGD CCO[C@H](C)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920093167 NTEDFRUEFVPYJJ-IUODEOHRSA-N 443.522 0.525 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)COc1ccc(C(N)=O)cc1 920718262 CDVRGSJNYCYWRW-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 920746048 QSTKRIJUYCIPQT-ZDUSSCGKSA-N 439.494 0.962 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)CN1CCCC1=O 920826647 NFCCSQNQKACFDH-AWEZNQCLSA-N 426.926 0.961 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCOCC1 1329073140 LHBJRXNPDLUAIC-HNNXBMFYSA-N 427.546 0.932 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)CC1 1778115571 MTNGGKHBUAIVRS-CZUORRHYSA-N 425.910 0.022 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852322 LVPNAPHXQVPTSR-SQGPQFPESA-N 430.977 0.002 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782678584 CAARFQKSBXLIQC-BZNIZROVSA-N 429.271 0.174 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783354627 DGUUADBRZKYAFA-QMTHXVAHSA-N 444.248 0.668 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783533769 HPBFVIHOYJWEQQ-YLVFBTJISA-N 449.298 0.095 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1783871269 OPKOHLKTUAATLB-RDTXWAMCSA-N 441.941 0.725 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1783883903 MULJKWLMDWDRBQ-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933125 CNJMZHUTQRSEHM-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783992481 UTFMINKEZLQWRS-HTAPYJJXSA-N 447.536 0.197 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785630889 FNSAQMKWIRXDCH-XBPIAWKYSA-N 432.304 0.915 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786981943 HNJGQMILYYDVEX-NYVOZVTQSA-N 448.328 0.692 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093282 NNDZSYZOYNEEQI-YEGJMSHXSA-N 444.319 0.405 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(O)n1 1789311521 GNKKIBZTCSNORJ-XIRDDKMYSA-N 433.509 0.062 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3S)C[C@@H]21 1791287260 WEFSTUVEGYOBIE-BPUTZDHNSA-N 435.550 0.337 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792887035 NCDFBIVVMRGUTR-AICCOOGYSA-N 433.933 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793380698 CLACNELPYGRDAX-WGCSPTNMSA-N 435.550 0.664 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1)c1ccc(B(O)O)cc1 1794094041 ZRJQDOBGMVWZGW-NYUBLWNDSA-N 436.273 0.458 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ncccn1)c1ccc(B(O)O)cc1 1796276667 MWAWSNVLOIETBZ-BJWYYQGGSA-N 426.307 0.201 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797767721 YRUNAHXAVLIPTO-QKDZRIPBSA-N 440.342 0.898 50 20 ICGD CC(C)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)C 1798439149 IGPXSUPCAWIRDR-YYAJDYIMSA-N 430.553 0.960 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1799264560 QRSCHONCVFFEOV-FAXLKDOZSA-N 429.926 0.706 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n(C(F)F)n1 1799402611 UOFSVILOGLLPGL-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD COc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)c1OC 1802337637 ZNULWBOZSMQXQV-QDMKHBRRSA-N 433.509 0.724 50 20 ICGD Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)c(=O)nc1O 1805529169 PMPRPDILMIENFE-AWEZNQCLSA-N 426.901 0.088 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cscn1 1805742607 TXBNNLHZXJRBQU-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807365152 RSMFMHLXQVUZCH-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)[nH]1 1807367077 XCZYXZNHXKILOG-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2=COCCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375181 PSLXFGKSJBAWPE-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n[nH]1 1810303220 QTJZDGWFOADIOQ-KXBFYZLASA-N 448.487 0.745 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1813064099 SGYDNRJGGAFRBC-AGGDQXJMSA-N 427.885 0.303 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1813072216 BSRPMWMVHYZNIE-WIYYLYMNSA-N 440.504 0.408 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)cco1)CC2)c1cccc(B(O)O)c1 1815355556 WALWOQQYHDHEKF-ZDUSSCGKSA-N 439.258 0.316 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816671948 WWOHQVHHRTXULW-XUOSJQGZSA-N 426.821 0.029 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470279 NUPNQFOQCJQSAQ-MSOLQXFVSA-N 425.298 0.490 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819449449 XNOGJRZAWRYVMY-YEWDVWPNSA-N 429.905 0.306 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830718891 SLRGQXFKRMYTJX-KSVNGYGVSA-N 446.928 0.286 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727917 KMQOWGVPCOARGH-WIYYLYMNSA-N 449.891 0.610 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733031 ZSOWHHAYRAMRBU-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831107580 MYCXXBKCOKAUIW-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD N[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cccnc1 1834761588 GTKIMICKPPDYRV-MOPGFXCFSA-N 437.972 0.643 50 20 ICGD CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800546 KWQPOBCZMVOYGQ-UHFFFAOYSA-N 426.326 0.101 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccccn3)CC2)CC1)c1cccc(B(O)O)c1 1834801207 UGKFUCVXRJIILJ-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717332 CDVUQCAXPBGTJU-CRAIPNDOSA-N 434.631 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 1838789110 IBBQKMANVLGWNE-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1838835271 NSWVVCGFDKMOHG-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198016 PYXSUTKZJSAIDD-AIROSISHSA-N 437.262 0.253 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203524 NPWMLJDWWCISMT-CPUCHLNUSA-N 447.305 0.666 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839966573 JISTVOFFCFDWDB-XEZPLFJOSA-N 441.750 0.870 50 20 ICGD O=C(c1cnn2cccnc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188317 CNEYUYDYNZZPKV-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487727 USQPTLCLVUDDJW-HEFFKOALSA-N 439.310 0.730 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1845273837 PMNPSCKOPAIOSL-UHFFFAOYSA-N 437.261 0.676 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@@](=O)c1ccccc1 1845775689 JLIBKWKAIYCNJE-AZYRPFHASA-N 440.330 0.380 50 20 ICGD Cc1nccn1CCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846573780 DAUUKLVPJXYWBP-UHFFFAOYSA-N 425.493 0.487 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846961758 QXPPVBILSKZRFA-QGZVFWFLSA-N 445.325 0.487 50 20 ICGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)CNC(=O)c3ccco3)sc2n1 725741432 QWWXLWOTAFTYGA-UHFFFAOYSA-N 433.446 0.939 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686042 JUUDXSHACVVOSO-GFCCVEGCSA-N 446.371 0.861 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)NCCc3cccs3)ccc21 735654354 JRRQPOUBIHPJBO-UHFFFAOYSA-N 429.502 0.960 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 740852109 LCPGNTPOMACVPB-MRXNPFEDSA-N 433.465 0.960 50 20 ICGD NC(=O)COc1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 744620305 IIJKGMGWBRGDGZ-UHFFFAOYSA-N 434.474 0.329 50 20 ICGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 745280410 WTNJBGRLDFMUQH-XIKOKIGWSA-N 430.461 0.746 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1=O 746782088 VMZRBRFOYOXDOG-LBPRGKRZSA-N 442.461 0.942 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2c1=O 748007921 BFYONPNNJXFUSB-QFIPXVFZSA-N 448.439 0.546 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C[C@H](C)O1 748459463 DBDWFWDZKMSZIR-GJZGRUSLSA-N 431.493 0.389 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 753104198 JELSBRKKGUUECI-CYBMUJFWSA-N 428.511 0.710 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 753842162 ZBOUMNVALQPXCI-CYBMUJFWSA-N 433.490 0.516 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(Br)s1 755056743 QQCODDZRBDMICQ-ZETCQYMHSA-N 436.313 0.372 50 20 ICGD Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755619186 HHIQRPFQERGOIR-UHFFFAOYSA-N 447.908 0.869 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 760439569 IWIIQGLGNAXVFD-UHFFFAOYSA-N 443.460 0.686 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763805105 RXTNGPGDUOSVDF-UHFFFAOYSA-N 443.416 0.900 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 763823579 CSZKQTDMCBPDND-LJQANCHMSA-N 446.467 0.395 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)ccc1F 763858161 QOCFOFGUZBYYLO-SNVBAGLBSA-N 445.386 0.802 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCCC1 764065769 AEQQOACVFCFNRK-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 764081718 JAHDHLXVFIZRNL-HNNXBMFYSA-N 433.509 0.492 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764268880 XNYNSZZQRGMWSP-UHFFFAOYSA-N 440.504 0.561 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 764318879 KEVGAKDAGISTLY-UHFFFAOYSA-N 429.437 0.852 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764356005 OZIKWISXFWJVPK-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 764400560 QERIWTJPWMKQQI-ZDUSSCGKSA-N 427.417 0.883 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 766272284 RFUDGXVZFFAREL-UHFFFAOYSA-N 433.432 0.998 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)nc1 769151884 CSPJIHASMNGNKV-IRXDYDNUSA-N 440.570 0.772 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1O 770998918 PYZYINDZKRVPQN-SECBINFHSA-N 440.865 0.273 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 772047034 YUPVZUQZOWJXDJ-NNBCDOKZSA-N 430.461 0.279 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 773418092 JNDKZKQMCHPXCQ-NSHDSACASA-N 430.483 0.596 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 773696719 ITYRMUQLCQHYHS-UHFFFAOYSA-N 429.458 0.661 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 773699395 CVMLMXJBOQQIFZ-UHFFFAOYSA-N 436.472 0.702 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)O1 774769736 AORQJCVMRZOUNT-UONOGXRCSA-N 443.298 0.794 50 20 ICGD C[C@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 777940487 NIABXHYNWAKWDZ-HNNXBMFYSA-N 429.974 0.665 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cnn(C)c1C 778545796 XYBHWHLQYIWICH-UHFFFAOYSA-N 432.550 0.884 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 781780600 IHCQKAVJIOQPPI-GXFFZTMASA-N 429.271 0.404 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NNC(=O)[C@H]1COc2ccccc2O1 781834221 KNMLWLDLKSQYAA-YLJYHZDGSA-N 426.473 0.924 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NN2CCCNC2=O)cc1 783604227 MGGAWMMJVLKVQN-RVDMUPIBSA-N 437.460 0.788 50 20 ICGD CCc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n(C)n1 784231318 ZVCCNYHUQUFFEP-UHFFFAOYSA-N 449.537 0.000 50 20 ICGD CN1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2C1=O 787101002 RITBHNKGGRRYNS-CRAIPNDOSA-N 439.424 0.386 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)n1 787540523 KXHIPBXUQMWFQK-UHFFFAOYSA-N 449.489 0.965 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1Cc1ccc(C(F)(F)F)cc1 787885942 IAPKUQCMDCFXLE-VIFPVBQESA-N 448.427 0.352 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 789296481 WKGPXWCNSBJWRZ-GFCCVEGCSA-N 438.506 0.942 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 789296483 WKGPXWCNSBJWRZ-LBPRGKRZSA-N 438.506 0.942 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CN2CCCC2=O)nn1-c1ccccc1C(F)(F)F 789857555 IOBQFVIRVWOZQA-UHFFFAOYSA-N 437.378 0.943 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 790063403 JEBBAXFTKVADRQ-UHFFFAOYSA-N 428.511 0.419 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2O)cc1OCC 798149308 LZQSHPFHRHILHP-UHFFFAOYSA-N 437.474 0.929 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(=O)cc1C 806341728 SCIRMXKNJIPDAB-UHFFFAOYSA-N 442.881 0.179 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1 811802469 YVAYSQYFSUDIEO-LBPRGKRZSA-N 432.458 0.499 50 20 ICGD CCCCN(C)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812456526 HNSSTNZPNRSNPY-INIZCTEOSA-N 441.602 0.764 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 815692984 IHEYNUZRXUBMJU-LLVKDONJSA-N 428.840 0.466 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 915636195 OLDIOGRFGGJQFV-UHFFFAOYSA-N 425.449 0.576 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc3c(c2)OCCO3)c1 915894164 FSXIEDLYWYVOEH-UHFFFAOYSA-N 434.474 0.852 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nnc(O)nc2O)c(C)n1CCN1CCOCC1 915957847 XXVHPECYPHHTKJ-UHFFFAOYSA-N 435.510 0.276 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 916034511 OXHUBWQJLRXSMA-INIZCTEOSA-N 430.808 0.925 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 916485937 NZUZPGLGKPYFCB-UHFFFAOYSA-N 433.490 0.681 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(Cl)nc3)cc2S1(=O)=O 917254192 SSVIMMZHLKPADQ-UHFFFAOYSA-N 438.849 0.601 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 917728955 YSWITDKPQJWNLU-UHFFFAOYSA-N 448.501 0.896 50 20 ICGD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)n1 919887018 YFMCXELMJFWXGR-NSHDSACASA-N 426.886 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778733813 WYVLGQJKBIMJFW-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)COC3CCCCC3)CCO2)C1 1779028476 FRFYLFZVNNUING-JOCHJYFZSA-N 445.520 0.478 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779386962 DZQKGYJHFCTDTE-DEXNDLTESA-N 425.917 0.391 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1779403436 ZXNHBJNHVXFNCB-ZXFNITATSA-N 436.864 0.530 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1783534622 MMWQCSVWFRWBCG-PVXIVEMSSA-N 431.356 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1783936088 CPCJDWDXTBBDDY-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC1Cc3ccccc3C1)CCO2 1783939993 QABXCHYVQZDUJC-DEOSSOPVSA-N 442.560 0.994 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1791255228 HHENJGJTUCDHJI-DDWPSWQVSA-N 449.891 0.669 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792583736 GKNSFNCSAOKCJF-KQLYMOGASA-N 436.321 0.623 50 20 ICGD CN(C)c1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792974745 APUDVJRBRKXDMH-CSHUHZATSA-N 425.913 0.321 50 20 ICGD O=C(CCBr)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728577 BMIJSYICKQPKQO-DIYOJNKTSA-N 449.195 0.716 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)cc1F 1796370417 IHNJPRAQMZXSNP-BAESOJJISA-N 436.864 0.967 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccc(C)n1)C2 1796890631 BQMIWANPKLWLNF-MOINTJSASA-N 425.493 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1)C2 1797748371 TUEJAFNJKXJCCT-FVCICTRLSA-N 444.879 0.251 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)n1ccccc1=O 1797935531 JQNWCOOTXRKZTI-ZZVJUGKHSA-N 430.274 0.689 50 20 ICGD COc1cccc(OC)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798828674 WALMSARDILHKIE-USGNIVHTSA-N 448.520 0.280 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)[C@@H](F)Br 1799347858 YJRYIIVDEQQQCA-OTMMVIPVSA-N 444.236 0.762 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1800186799 MBZVSIJOVKMRPX-DDFXLWFNSA-N 425.382 0.296 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1806342739 CJTABNJGKSQMMS-WBTNSWJXSA-N 425.327 0.595 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807108759 AVODRGMCFRCWLM-DNVCBOLYSA-N 443.508 0.653 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cnnc(Cl)c3)C2)CC1 1807269536 SDNSEVBUGBXLER-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361559 RSAGMLBAOGJDCK-RXVVDRJESA-N 445.288 0.493 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366956 WIOHHDFGVDOLRJ-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1808260868 YYBKPROUTCLXEE-DZKIICNBSA-N 432.845 0.830 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2 1814808083 OPRDNLUJPGIDSY-BUYFANAVSA-N 436.307 0.338 50 20 ICGD O=C(CCc1cn[nH]c1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337059 KUWAXUUMEASAAT-HNNXBMFYSA-N 439.306 0.405 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817000387 XODAMAGCJZPRNQ-RBAKBABWSA-N 441.517 0.717 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1817246334 DZSGRBVPBAPPDQ-JQWIXIFHSA-N 429.319 0.780 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817250965 YGNXAVWIEQCFJK-GMOODISLSA-N 433.282 0.685 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817475324 NXPXYUIGTMCHRA-GOSISDBHSA-N 436.281 0.372 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478825 CEAAYLNVCJYKND-HNNXBMFYSA-N 446.294 0.213 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822368371 ARROZZUOFKVYRY-ZYHUDNBSSA-N 426.861 0.207 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1C 1830537663 MBCKKUAMQRIJAF-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1830546674 VIDUTMNWLQJKAB-RVKKMQEKSA-N 433.343 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\C(=O)NC2CC2)CC1 1831873749 VUUNPXIUMGUDJD-IBHIWXBSSA-N 447.580 0.814 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278492 LIFFDIWSXZKCND-QAPCUYQASA-N 442.310 0.564 50 20 ICGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1 1834800539 KGCQYCJNXBIQRT-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1834823488 XAZSNQHUJUPSSK-SFHVURJKSA-N 441.326 0.684 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834826356 MHFUBPBJEPNTTN-QGZVFWFLSA-N 429.315 0.204 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnn2cccnc12 1835533754 ABJFPJUCTIHLNC-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981126 NQNKVGHKAXYIJQ-OXJNMPFZSA-N 440.928 0.543 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1Cl 1837715190 BQZUECWMXOPHPE-SFHVURJKSA-N 444.992 0.995 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837754437 XYAAYDNJQMUSGR-SGTLLEGYSA-N 442.925 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838024756 NGFOMWATDDDQBS-HNAYVOBHSA-N 428.917 0.788 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1839290246 DGXHFAREBIMSMG-QFBILLFUSA-N 430.860 0.504 50 20 ICGD COc1c(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1839393386 YVPINDQHPFNTBE-DYESRHJHSA-N 440.924 0.982 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1840151094 WLLZYSIOMNILDN-APWZRJJASA-N 428.917 0.210 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840155812 IOKXGKJHPMKFOI-XEZPLFJOSA-N 441.750 0.870 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)c(C)s1 1848256342 XEFATELNFYAGPJ-IRXDYDNUSA-N 428.518 0.817 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccn1 20887973 OMLNZECZRWVADT-OAHLLOKOSA-N 438.893 0.729 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc[nH]1 726629916 DTGDZKVWYBTTHC-CQSZACIVSA-N 426.882 0.662 50 20 ICGD O=C1Cc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(Cl)cc2N1 728016395 XSKKYOUPFXWFKX-UHFFFAOYSA-N 433.837 0.434 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2c(C)n[nH]c2n1 728340395 JJRBSSCWYSKKMF-OAHLLOKOSA-N 425.401 0.719 50 20 ICGD COc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728384349 GTZOBAFRZYOLFJ-LBPRGKRZSA-N 439.519 0.259 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 733042928 XPIQLEBXAIBLQV-UHFFFAOYSA-N 445.448 0.532 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cncn2-c2ccccc2)CC1 735117594 YUXPBKBUSSQFRG-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 740812746 ZKDVAFQRJSOUAR-UHFFFAOYSA-N 446.551 0.085 50 20 ICGD CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 741409281 AWIJNNAOTBAQBO-MUUNZHRXSA-N 444.579 0.962 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 741648144 WSVFAWARAZPFQH-UHFFFAOYSA-N 437.421 0.978 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)cn1C 742772016 NZKGMSXJUZSPAY-UHFFFAOYSA-N 430.284 0.231 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(Br)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744371562 BBSWPZIODQQZHS-ZPTNNJSTSA-N 436.262 0.761 50 20 ICGD COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 744447066 VBMIEOKDAOSGQG-UHFFFAOYSA-N 448.501 0.806 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)c(OC)c1 758841816 TXFWFAURMKPJJL-HNNXBMFYSA-N 441.444 0.490 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 758859094 QWFCHEJGUORCLN-HNNXBMFYSA-N 442.538 0.735 50 20 ICGD O=C(NNC(=O)c1cnc2nccnc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 759351027 AQKOFYMAUWZIOM-UHFFFAOYSA-N 426.458 0.884 50 20 ICGD Cn1nc(SCC(=O)NN=C(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n(C)c1=O 763155590 VEGNQYFSDYIGIF-UHFFFAOYSA-N 432.462 0.604 50 20 ICGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 763510480 KZPDYIYFLKTJOW-UHFFFAOYSA-N 428.534 0.174 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 763543213 MRPCQYDJTWIUEK-KRWDZBQOSA-N 443.412 0.432 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 763713186 LSDKNXXGNUJSSY-UHFFFAOYSA-N 448.501 0.624 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 763871336 FVIGAKJKXYFKHA-LLVKDONJSA-N 438.437 0.335 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)ccc1OC(C)C 763916039 GIRCXGKAVMLXNV-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc2O1 764345896 LLLUOVRRQSWIPR-HNNXBMFYSA-N 433.804 0.774 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764380357 XIQGTFUYXCUYON-UHFFFAOYSA-N 441.412 0.989 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1C 764384636 HVGXAGXDGLOQMO-UHFFFAOYSA-N 431.478 0.998 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)n[nH]1 768277733 WPZFDRVSONJCJN-CQSZACIVSA-N 437.478 0.209 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 775333759 JKOYFWHRXDRUTD-LBPRGKRZSA-N 435.462 0.615 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 778217306 WZDQIGFGUNVVID-UHFFFAOYSA-N 433.486 0.895 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783378739 LRENFHSBXGYGEU-UHFFFAOYSA-N 433.490 0.769 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCS(=O)(=O)C1 783425042 ABKGHFUIKFECFW-HXUWFJFHSA-N 446.533 0.808 50 20 ICGD O=C(NNc1ccnc(F)c1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784851907 MNAALTHKWYLIMZ-INIZCTEOSA-N 429.408 0.317 50 20 ICGD CCOC(=O)c1csc(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 786848402 MDQPUZYDTUHHRD-UHFFFAOYSA-N 430.450 0.482 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 786997423 HCRFIAQEIYYMKT-SFHVURJKSA-N 446.504 0.013 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cccc1N1CCNC1=O 787542995 DHOKVGDJHWMIIC-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)cc1 790699623 DVVJONARWIYTHM-GOSISDBHSA-N 448.483 0.987 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794509089 YNFVWWZNDWFHSB-SSDOTTSWSA-N 431.323 0.419 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CCN(S(=O)(=O)NC)CC2)cc1 794781410 POSOSGJSDYYWMS-CYBMUJFWSA-N 428.511 0.176 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(Cl)nc3cc(Cl)ccn23)c(=O)n(C)c1=O 794886484 LBARZYQLHKCDBT-UHFFFAOYSA-N 442.288 0.676 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2c(C)nn(C)c2Br)n1 801503102 KTSSLAWNPRCCDQ-UHFFFAOYSA-N 430.284 0.803 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1Cl 802566935 JAMRJXUQBOGZRN-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)(C(F)(F)F)C1 808044276 RLKLSYOBEPPSAH-ZUZCIYMTSA-N 443.444 0.758 50 20 ICGD Cc1nn(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc12 812978941 FXKATFHHCBMMHD-UHFFFAOYSA-N 426.389 0.955 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 815691446 QFFLJXXHWFUWJR-HNNXBMFYSA-N 448.487 0.826 50 20 ICGD CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](B(O)O)C2)cc1[N+](=O)[O-] 864232298 ZKFXVVXUPLPCEP-LBPRGKRZSA-N 445.328 0.697 50 20 ICGD O=C(CCN1CCOCC1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 912852042 JTHPIRIBSKNUSD-UHFFFAOYSA-N 435.484 0.928 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 912920910 GNUGHRSRLYJXMN-MTHXSQLBSA-N 448.564 0.999 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)n2nnnc2C)c1 916124253 VOHYDEXHFQTFGV-KRWDZBQOSA-N 448.443 0.884 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1 916636223 VLDVLFUPFSHTCH-YPMHNXCESA-N 442.563 0.510 50 20 ICGD O=C(CSc1nncn1-c1cccc(Cl)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919890071 ZKESCQNOVYWTMU-LLVKDONJSA-N 444.926 0.530 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1O 919958406 JCGRUPZGAZNNFS-NSHDSACASA-N 449.441 0.462 50 20 ICGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)c1nnc(-c2ccccc2)o1 919961907 OIUVHNGCOSRDCC-UHFFFAOYSA-N 432.414 0.996 50 20 ICGD CS(=O)(=O)Nc1ccccc1CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1318415527 WIXYGTWHEXUZBX-UHFFFAOYSA-N 425.488 0.465 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC=CO1)C2 1779372220 COHILFSCZKUKRZ-NJNPRVFISA-N 443.504 0.505 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782214546 KKLGZYDFDPAYMU-HWWQOWPSSA-N 444.381 0.632 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccoc3c1)CCO2 1783934402 FQORAFWYTDTNNB-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784584629 PSXRJRBLWPXITM-NYHFZMIOSA-N 441.488 0.600 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785562142 QXDVJVUYDPDUSR-LDBYXDLTSA-N 437.924 0.889 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC(F)(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786983257 JMUNRVLMBQWOKD-XIRDDKMYSA-N 442.243 0.692 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1787905366 YGFRJIORQGPECZ-UHFFFAOYSA-N 437.305 0.446 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789918216 GBGDOWJSEDOLSL-TYDTZWSASA-N 449.454 0.860 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791057423 LUHCHOYZLMKTRY-QSFUFRPTSA-N 429.271 0.265 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793844269 OQWMSSYUVHRNNZ-RUMRUAAYSA-N 448.328 0.301 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090375 QIOIWOMCWQRYMC-UMPJEAMMSA-N 440.393 0.591 50 20 ICGD Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(C)s1 1794465944 VDRDEKGRMMCWCA-BCDXTJNWSA-N 427.335 0.934 50 20 ICGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n(C)n1 1794651416 TWWRTAAXPFLMIC-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD COc1ccc(C(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1795137614 PTHUMNDQHIUXJI-BAAGSCJXSA-N 438.908 0.847 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930950 OAXATXVFYNGIAK-NDPMZMCLSA-N 444.941 0.449 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185711 JAVAXEXBJCTSPM-KQLYMOGASA-N 436.321 0.623 50 20 ICGD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)nc2N1 1796191057 UDYXBXDXFZOKJT-BCDXTJNWSA-N 448.288 0.212 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796760180 MNAOSRGGGFNUFP-GPLRMVCLSA-N 431.497 0.206 50 20 ICGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n[nH]1 1797752805 IHEYKMGHTHCXIC-IVWMJMPLSA-N 441.492 0.049 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798351455 VMLOCHISPMXMKG-DRXBFXEBSA-N 445.388 0.420 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@@H]21 1800251439 QOSQQPPMHMKPPO-CSVBSLGLSA-N 443.529 0.585 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(OC)c1 1800414729 AGPAKYRPXJYRQK-DOHHPOSVSA-N 440.924 0.826 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)no1 1803143245 XRSCHILPGGGYFE-KYJSFNMBSA-N 449.895 0.414 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803614062 XDGUNUUUHKGQLO-SKRQURTPSA-N 439.321 0.488 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293680 GFSKFAVHPAXVHB-GMBSWORKSA-N 440.504 0.682 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)[nH]1 1813068085 IILCOPWLAXIVDC-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD COC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815348434 NUOGDRJZQKCWHD-ZDUSSCGKSA-N 443.290 0.002 50 20 ICGD O=C(Cc1ccccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354695 QETZAQJXTJLPSI-INIZCTEOSA-N 436.302 0.686 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnsn2)n[nH]1 1816166933 BLTIRCRTABWOIP-CQSZACIVSA-N 441.477 0.879 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472490 UKRRLMZWHRORTQ-QZTJIDSGSA-N 440.309 0.969 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n[nH]1 1817476202 KPEXNHQSVZOSAM-SFHVURJKSA-N 436.281 0.670 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 1822837022 KWHAYRSRXUUZNY-INIZCTEOSA-N 430.513 0.751 50 20 ICGD CC(C)N(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822992230 MHOMFEPESSUTTM-GOSISDBHSA-N 427.314 0.736 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1ccnn1 1824695167 NIHGCCWUTXASJE-VXGBXAGGSA-N 434.526 0.281 50 20 ICGD Cn1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827053008 SKOLKXQOWRTZPB-NRFANRHFSA-N 438.337 0.576 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1830537119 BSTUSCGYAQLRNA-BDJLRTHQSA-N 447.355 0.826 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830539058 ZYRLANOYVAQXHQ-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1F 1830733808 UACVCWGREHTLNH-XLIONFOSSA-N 439.871 0.296 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736624 VMMTUHYTZUXENO-MGPUTAFESA-N 438.864 0.808 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1830738933 VMSAGFVQUAGGPM-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835292833 MBAFHTBAWPOPIE-QOKNQOGYSA-N 441.322 0.960 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836671442 ZCIZTRBJQSSEIF-CYBMUJFWSA-N 443.346 0.703 50 20 ICGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c2cccnc21 1837187260 WTKRWSQYABVCQQ-UZLBHIALSA-N 436.896 0.243 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1837715522 VGEYOERJAQWGDD-IKVWTGGYSA-N 439.629 0.635 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cccn3)CC2)CC1 1837973295 QVXVZHIYXLUCHL-UHFFFAOYSA-N 434.541 0.255 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839145939 RNIJGZOABGCFSU-GQIGUUNPSA-N 425.913 0.883 50 20 ICGD CCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198307 XUDWMACAIOFLKW-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840035920 KMBSRSJWSVVYHM-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059677 MGBAMAPKTZUPSU-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1840150452 MMFUEYIEQJATHU-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1840151824 OJBYFXBJSRDQEA-PYIGHKJLSA-N 437.924 0.992 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840322971 JCHPBIRNJPRADP-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2cccc3ncccc23)C1 1841589633 OUQQENMLGMNCFT-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845174571 QATNWDTUYILWIP-UHFFFAOYSA-N 435.289 0.439 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 10600700 CHUMREMHWQGPKD-UHFFFAOYSA-N 440.865 0.744 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 729281598 JHOSWQGWQSGCEZ-UHFFFAOYSA-N 443.485 0.629 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 732261284 LWDPWUFHLYIKDO-OKILXGFUSA-N 428.511 0.324 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732474415 LRLXECDDEPJCDX-MRXNPFEDSA-N 427.527 0.185 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 734809685 NKWZDRLVGPEBLY-QGZVFWFLSA-N 436.417 0.789 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 735517268 BBQBEGHILQZLJU-APWZRJJASA-N 440.504 0.763 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 737638194 UXUIMNHCOKOROV-UHFFFAOYSA-N 439.515 0.747 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 741650871 BYQXTNXQDLEKMA-UHFFFAOYSA-N 443.384 0.482 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc(OC)c1OC 746702580 XXVYGTDNVBRAIB-UHFFFAOYSA-N 441.444 0.480 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 751283737 ZTWQUXLAQJFINJ-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)o1 754745314 PQYRLGYGMNQPSC-UHFFFAOYSA-N 430.464 0.291 50 20 ICGD Cc1cc(I)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 755352861 AUISJCFUOXJDPY-QMMMGPOBSA-N 440.263 0.690 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755932293 NDXYIOIDWUVOLT-GFCCVEGCSA-N 430.508 0.081 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccnc2-n2cncn2)cc1 756293117 XNVRXNHCUDNOFY-UHFFFAOYSA-N 444.477 0.444 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2c(F)cc(Cl)cc2F)n(C)c1=O 757909751 OKZQEYKMRBQCHB-UHFFFAOYSA-N 441.782 0.218 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4nnc(O)n4c3)cc2)CC1 763097280 AMDVCARYWAVRMY-UHFFFAOYSA-N 431.478 0.128 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC(=O)N(C)C)c1 763445881 LZADJNXVPDIDMP-UHFFFAOYSA-N 443.416 0.770 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570834 IPYUPFHAHQDFAF-QGZVFWFLSA-N 442.428 0.127 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCOC2=O)cc1 763575478 WNJVHCSRGWYLCW-INIZCTEOSA-N 426.385 0.569 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 763659326 MFMRULDRUWROST-UHFFFAOYSA-N 449.427 0.372 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 763773410 WJFKSKVQMBJZDU-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763918964 NLNRJSLLCREBHX-UHFFFAOYSA-N 448.476 0.937 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764155320 YEMIPIAIDSDOAU-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)ccc1C 764167557 INVRPYRUQGNIMS-UHFFFAOYSA-N 434.474 0.458 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 764202802 KFLDWXYEYMIYKB-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764280340 MTCGBVLNWAAQIJ-UHFFFAOYSA-N 430.417 0.024 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)cc1 764389785 ZJKJOTYDZFJLRI-UHFFFAOYSA-N 431.474 0.596 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 764425680 QNNKLBKQTLRIIT-ZDUSSCGKSA-N 427.339 0.392 50 20 ICGD C=C(C)Cn1c(SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 764615025 KSVOUJHLUPKTAG-LBPRGKRZSA-N 439.519 0.788 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc(Br)c1F 764664155 RATXBHSUPLTXNA-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1ncc2ccccc2c1=O 765736762 AKPUYMRWMVXEQZ-UHFFFAOYSA-N 448.483 0.002 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765754055 HVLXGXFWWWKAAL-KRWDZBQOSA-N 438.960 0.832 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 773727335 WSNRJWKNNNMUMK-CHWSQXEVSA-N 428.449 0.816 50 20 ICGD Cc1ccc(I)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 775859697 HPHZIIWLRZGORR-QMMMGPOBSA-N 440.263 0.690 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 778529884 HXBPKJWGQHNWEF-UHFFFAOYSA-N 436.402 0.649 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)sc2ccccc21 783351385 DNKVYSKCLSBTQE-UHFFFAOYSA-N 429.506 0.339 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)ccc21 785061136 SXVKQZKFMFYJFU-UHFFFAOYSA-N 434.456 0.962 50 20 ICGD NC(=O)[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(Br)c1 792884505 UVOGQHSPZQBNCQ-CYBMUJFWSA-N 438.238 0.329 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2 792921796 NSKGBRPQCDAHST-UHFFFAOYSA-N 447.473 0.322 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793024838 FZRUNNTXAMVNEN-QMMMGPOBSA-N 433.215 0.495 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc2ncccc12 793456023 JURSXUAIVBYGJH-HXUWFJFHSA-N 425.445 0.611 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2C1 794072329 URVFPKQOYBBVDK-MRXNPFEDSA-N 442.476 0.269 50 20 ICGD CC(C)(O)[C@@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 795764170 OGNMSKMDOZPGSJ-MJGOQNOKSA-N 444.440 0.736 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c(C)c1 796992727 WRPNVEAWTVPUMR-UHFFFAOYSA-N 442.472 0.902 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCS(=O)(=O)C1 799120415 QZIFOSUUZVEKJP-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802095044 NSCYTZXCYWHUAS-SNVBAGLBSA-N 438.466 0.285 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1 802104623 HDXVVFOSWYWQSS-UHFFFAOYSA-N 436.446 0.807 50 20 ICGD Cn1[nH]cc2c(=NC(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc1-2 806493433 WBAWNJHZHSUBJL-UHFFFAOYSA-N 443.489 0.593 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)nn3)c2)cc1 808382522 BMTHOZTUNXLJAG-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccncc3)no2)cc1 810312522 WFDYUJKOWUULFJ-UHFFFAOYSA-N 431.434 0.512 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(N3CCNC3=O)cc2)cc1 812567720 IJZJYIROTZRAAM-UHFFFAOYSA-N 445.501 0.606 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 816880981 WTLWPYYTVKNNOP-MNOVXSKESA-N 433.450 0.262 50 20 ICGD N#Cc1ccccc1OCC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 874072309 TZPXUPIJCKPNEE-UHFFFAOYSA-N 432.440 0.932 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccncc1 916093728 VPDNJCQPLJOQIV-MRXNPFEDSA-N 434.474 0.572 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 916266785 GBUNJXRHWXUDNN-UHFFFAOYSA-N 427.509 0.707 50 20 ICGD COc1ccc(OCC(=O)NN=C(C)c2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1 916296718 GBBHKSGJOKFRSM-UHFFFAOYSA-N 435.458 0.977 50 20 ICGD COc1cc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)ccc1OC(C)C 920275230 PJRCQACSEOTXQZ-UHFFFAOYSA-N 444.448 0.552 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NC1CC1)N(S(C)(=O)=O)CC2 1321783618 NHTMMWUXQQWYEL-AWEZNQCLSA-N 426.495 0.446 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778679612 QHSGIOZVNNVZOP-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1779028526 MREXYTMSVYCECF-LFTXJPJQSA-N 436.472 0.237 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1779032263 MCFOFHYNIFFCQC-HXUWFJFHSA-N 433.484 0.801 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779838094 HHMJLBNPOZXWGN-OAQYLSRUSA-N 441.318 0.241 50 20 ICGD Cc1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779875044 XEFNESGMZCRZOQ-IIBYNOLFSA-N 432.525 0.286 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334448 NYLZAZBISINOFZ-MLGOLLRUSA-N 430.230 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782208877 NTDPFLVPVICEGD-TWKYDXJASA-N 434.917 0.370 50 20 ICGD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784563021 UYNQARLNXHKFRE-SZMVWBNQSA-N 434.367 0.349 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980229 XVMRYBOARDQFIH-VDGAXYAQSA-N 426.278 0.186 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981970 TVBYGKKCMZNMDV-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)cn2[nH]cnc(=O)c12 1789177221 QRRWRHRIYFIOIQ-DRZSPHRISA-N 442.303 0.728 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790749135 IJHKNMOZQXBGFK-PJSNJIKXSA-N 441.319 0.234 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793107632 YBCAFIOPTKGUCC-YGTFVGLLSA-N 437.924 0.404 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)no1 1796419398 DNVJQLONTHKGJC-OWLDWWDNSA-N 447.261 0.592 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2 1796441316 XXVOVXIYHSPNFI-CBKYIJDSSA-N 431.493 0.137 50 20 ICGD CSCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748444 BHGDRJAOFKJSEJ-YWVIFJGQSA-N 435.550 0.278 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798887990 AXVWGZZYLITHFF-CCWDJLKJSA-N 439.472 0.211 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2)[C@@H](F)Br 1799352005 IGDAQCHOEUAZIN-IUPFNGILSA-N 429.290 0.795 50 20 ICGD COc1cccc(OC)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1799562790 QKIOHNCTQKKMSK-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1802441633 OMSBRAJRTPMSPY-JZXOWHBKSA-N 426.970 0.736 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361532 IRAWGAFXQQPAFK-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365523 YCUHJDRMSTYZBO-GHTZIAJQSA-N 446.272 0.028 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1808631260 LPUHNOJDYSXAED-SZMVWBNQSA-N 435.912 0.844 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]n1)c1cccc(B(O)O)c1 1817479856 VENKRZUGMAKRMC-FPAYPSAMSA-N 438.293 0.963 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401631 LVVPBTQEBSCVBR-GUYCJALGSA-N 439.476 0.752 50 20 ICGD CC(C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793439 NPMQYAAZZXYJJN-BONVTDFDSA-N 432.506 0.384 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1822371789 ZRKIBMSXNYRTGL-ZBFHGGJFSA-N 426.949 0.903 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323597 XRELFSBHGAKQSI-CHWSQXEVSA-N 432.974 0.749 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1830334525 GEYXCTOLBLFPBS-MRRJBJDNSA-N 434.331 0.141 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733981 XMYIQRFJDCXDPH-KXBFYZLASA-N 448.850 0.958 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830922206 DIYRJPJPTUACBH-YLJYHZDGSA-N 425.913 0.643 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831829264 YJQRWQJDZJBDLH-RRFJBIMHSA-N 428.917 0.458 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719661 BHGGONWUMIUGPZ-HNAYVOBHSA-N 434.917 0.201 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1837714537 KJSSPIDFIJNXJZ-OAQYLSRUSA-N 449.580 0.707 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198174 WEGGMNLDGKJAGS-RDJZCZTQSA-N 447.305 0.647 50 20 ICGD CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198510 GBVCVBVXHQPJDD-CZUORRHYSA-N 425.295 0.948 50 20 ICGD COc1c(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1839393387 YVPINDQHPFNTBE-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839686930 ZSHIPOWAVICLDI-BZNIZROVSA-N 427.281 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2Cc3ccccc3CN2C)C1 1841889808 VYRQTFYHEDGDOE-IBGZPJMESA-N 427.549 0.620 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CN1Cc1cccs1 1841977510 AXUIYOHKARRGNJ-UKRRQHHQSA-N 425.938 0.900 50 20 ICGD COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(F)c1 1843014075 UFQLOGMZGLNPNF-UHFFFAOYSA-N 440.280 0.964 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)[C@@H](O)CCl)C2 1847563750 PITWKYFNRQSKTL-YXWQFLTLSA-N 438.912 0.424 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 21968245 LEVICYIGIMOYPD-GFCCVEGCSA-N 434.449 0.869 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 728018123 GMFGARNINOHEMN-XCHKQJEOSA-N 429.502 0.952 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(-c4ccccc4)nn3)cc2)CC1 728213803 JQLWUGZMVFATTF-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732259775 KATGISSFHLGRCE-HOTGVXAUSA-N 440.566 0.881 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(C)c12 732262068 QWVCRPNCVNWVTR-CHWSQXEVSA-N 432.525 0.458 50 20 ICGD CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NNC(=O)C3CC3)nc(C(C)C)nc21 742445736 VPZUINJPKGBGAP-UHFFFAOYSA-N 434.522 0.673 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2cc(F)ccc2Br)cn1 743258043 USVFGZPWKSJZEZ-UHFFFAOYSA-N 435.231 0.581 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n[nH]2)cc1 743310171 YVMLAKSFBWYWON-PSBWJHGTSA-N 437.456 0.699 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cc1 743731378 QHYQBGGRSNNXRY-UHFFFAOYSA-N 441.263 0.496 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)n1 745882216 GCEBKLKHFHNKNC-AWEZNQCLSA-N 449.493 0.355 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749221668 SLJRVLBSMALTSM-UHFFFAOYSA-N 435.488 0.936 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnc2onc(C)c2c1 750838387 WLOBINXOQQBIGR-UHFFFAOYSA-N 438.491 0.756 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 753130986 PXQZXROUMXSJGH-UHFFFAOYSA-N 436.538 0.897 50 20 ICGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 753361224 ZTWJOPZNHVTJOA-JGTBNHKDSA-N 430.552 0.572 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C3CC3)C3CC3)CC2)cc1 753657668 YEZWMPRBIVIKTA-UHFFFAOYSA-N 434.562 0.885 50 20 ICGD Cc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(Br)c1 753695690 QZCJEVVQYPUEQI-UHFFFAOYSA-N 426.296 0.792 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc(F)cc2F)CC1 755809880 PAFDKGFIZNEZQZ-UHFFFAOYSA-N 425.461 0.982 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3cnccn3)cc2)CC1 756360658 VGSGWJBRTTYJRH-UHFFFAOYSA-N 426.481 0.153 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCNC(=O)C(C)C)cc1 757661317 CDUIJCZWPWHBSE-UHFFFAOYSA-N 427.527 0.108 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 758046973 VDWPTNQAKVZMOD-SECBINFHSA-N 426.476 0.280 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)c3c(OC)ncnc3OC)n[nH]2)cc1OC 763147821 JPLJAPMDHZBHHP-UHFFFAOYSA-N 428.405 0.976 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 763572702 NUVBACACNJJCNC-IBGZPJMESA-N 439.472 0.364 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763872130 KMYYLBFANJYTIB-LLVKDONJSA-N 435.433 0.709 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)CC(C)C 763881722 IYJHYXIQMVDVSS-UHFFFAOYSA-N 428.511 0.904 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 764042448 KFYOFCWERXSBRB-UHFFFAOYSA-N 427.461 0.985 50 20 ICGD CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 764230782 LBEVRWYIYNINCC-NWDGAFQWSA-N 430.552 0.909 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)CCc2ccccc2O)CC1 764278401 OVUSHIFYESIESH-UHFFFAOYSA-N 425.489 0.863 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1C 764281323 SFOZKJQQTDNHAS-UHFFFAOYSA-N 434.474 0.327 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCO1 764579072 UIESMSNUEPYLJJ-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cc(F)ccc1F 765119141 QUGHCNYRDBZOEL-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 765318959 BEERBJYWDOUIFI-HNNXBMFYSA-N 432.477 0.958 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 766312353 RKFDVQAGQYFDAO-UHFFFAOYSA-N 449.942 0.469 50 20 ICGD CCOC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 766636184 MDTJQXRFNCEYKK-SFHVURJKSA-N 433.509 0.363 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1cccs1 767282372 PAOKQIRCHTVRTO-UHFFFAOYSA-N 425.488 0.268 50 20 ICGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 767438588 SJUAQBXSVDOHIG-UHFFFAOYSA-N 429.418 0.213 50 20 ICGD C[C@@H]1C[C@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 771437111 XVRIZXYSNBENIH-HUUCEWRRSA-N 426.543 0.459 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 772014407 YILRQEVTLVGLCT-LXZKKBNFSA-N 437.468 0.455 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 773086857 GOGQFQCGLGDHFI-UHFFFAOYSA-N 447.473 0.136 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cc(OC)n(C)n2)c1 773495609 DEGMQAVSTOHUKH-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1 773723678 DKFKSGIMHWNSSL-NSHDSACASA-N 430.421 0.248 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 779643729 XNDPEAICIAAATE-UHFFFAOYSA-N 447.473 0.513 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 780363947 ZFRIUTHQUDCXNB-UHFFFAOYSA-N 440.459 0.659 50 20 ICGD COCc1c(Br)cccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427377 SALVOHIGYPPXKW-OAHLLOKOSA-N 434.312 0.732 50 20 ICGD NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 784061692 SOUSFNBYHZQGIW-GOSISDBHSA-N 434.493 0.941 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 785227707 XAPPEFLOYBDHLL-UHFFFAOYSA-N 447.521 0.945 50 20 ICGD Cc1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n1C 787346970 RLXVZKUGUAQKOR-UHFFFAOYSA-N 447.517 0.622 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 787540851 FUEHJZPDZBROOQ-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)cc1C 788336862 FXYJWLSFBQGPJK-UHFFFAOYSA-N 432.458 0.667 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 793220881 GDEMIKMSTIBWSH-UHFFFAOYSA-N 445.432 0.605 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794077468 VTLXZXDKNWPJIE-ZDUSSCGKSA-N 438.444 0.755 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 798314139 YTGWLZQQTATZOJ-KOLCDFICSA-N 444.819 0.357 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 799262425 UQHRODSWTLOYPI-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)c1 810353819 VLHHIQLBFVIMBO-UHFFFAOYSA-N 428.470 0.970 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)C1 815778873 ITPGLMBZJJYISZ-XJKSGUPXSA-N 438.506 0.372 50 20 ICGD C[C@@H](CN1CCCCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916462013 NZAAMNAIJWOTQU-INIZCTEOSA-N 439.586 0.518 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895749 PWPNPWAZQAFSOA-NOZJJQNGSA-N 431.205 0.705 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779058311 IMJSGRYYDARJCZ-RBOXIYTFSA-N 430.278 0.797 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)cn2[nH]cnc(=O)c12 1779298954 QWRUFPZQKBVCJG-HXUWFJFHSA-N 447.568 0.626 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779332124 WGBLRHQOLACSQK-HXUWFJFHSA-N 440.290 0.062 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783408691 XPASJRZVOGUWJO-OFVILXPXSA-N 448.328 0.615 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(C(C)(C)C)n1)CCO2 1783936515 ORXDKYNJTIYXHG-NRFANRHFSA-N 434.541 0.455 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783948507 QSHXXACMWUONEY-QGZVFWFLSA-N 426.260 0.337 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978731 OCGILGHVHUEPKW-KNBMTAEXSA-N 439.277 0.139 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795841932 VTBBTRZBKRBKRQ-VPTLXERWSA-N 444.243 0.091 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)ncc1[N+](=O)[O-] 1796191106 ZQKGHKJFFFOQRY-BJWYYQGGSA-N 438.249 0.544 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1Cl 1797997351 MFFXXMDYCCKFGW-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(OCF)cn1)C2 1798440778 RJVOYFQQRDUZTG-CLLJXQQHSA-N 443.439 0.347 50 20 ICGD Cc1ccc(O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798842160 BBECHCUKDATOJY-HBCWATKFSA-N 439.472 0.216 50 20 ICGD COc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799449568 GHMJLFDWBZPVGA-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)c1Cl 1799574433 BPEQHNSDYVXHPP-HBCWATKFSA-N 446.671 0.676 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnn2c1OCCC2 1799935863 FRRQNFZJCDHBAJ-LYIQGSDWSA-N 431.262 0.559 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)OC(=O)NC(C)C)C2 1800977737 WUGPZLGEHPAMCS-XGUBFFRZSA-N 433.933 0.743 50 20 ICGD Cc1c(F)ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1N 1801012899 BVQWHGCYGOVZEZ-VTEUUUEMSA-N 435.500 0.293 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801442285 RZGBJMQUIMYOEL-GUIRCDHDSA-N 426.311 0.828 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccn1 1801468679 PJDUYPLWRVHFIU-BKEDOTJMSA-N 438.488 0.087 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1802272801 GJSAAJRBQISENX-ZHZXCYKASA-N 438.912 0.885 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1802883139 JNXLMSRHSCOUCT-UEXGIBASSA-N 446.552 0.375 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnc(F)c1 1803842356 ZSMHQDQXIQDJAW-GHTZIAJQSA-N 448.263 0.929 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1804491452 NUUPOYPSKGYPCB-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD Cc1onc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1C 1807367223 XUGXGZLNIVAEHI-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807712260 OXLVCFXTOLQTDL-YPUPRDRTSA-N 425.327 0.594 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817107648 SEHQESZVJXIGQH-SFYZADRCSA-N 427.870 0.824 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)O1 1818733997 HZYSQKQYDSLXSW-JRPNMDOOSA-N 444.517 0.935 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)CC1 1818963979 SWCKPATYEVGAKE-HZPDHXFCSA-N 440.932 0.166 50 20 ICGD Cn1cccc1C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822865964 AYNZPHPCELZWSA-KRWDZBQOSA-N 449.276 0.617 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1830361942 HNLUWDFCIRNRCE-GOSISDBHSA-N 428.921 0.041 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1830542691 BWHNPHWRMQHMDA-JTDSTZFVSA-N 446.386 0.816 50 20 ICGD COc1c(C)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830733691 RATYFUNUGHZSDR-UWJYYQICSA-N 440.924 0.982 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1ccc[nH]1 1832879040 MZZFJAFYYHKPSR-QAPCUYQASA-N 430.864 0.125 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833008071 QIQQZNUBPODSDO-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833535142 UEELULCYHXNLMU-IBGZPJMESA-N 447.020 0.252 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797585 NEDHBSAXELDPTO-HNNXBMFYSA-N 449.943 0.620 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836110481 STJRUFSHOSZWAA-GOSISDBHSA-N 438.956 0.824 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837123749 ASSJTTHKXBLMHB-XLIONFOSSA-N 436.896 0.658 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921623 SFXTWQAUDJTHRY-KRWDZBQOSA-N 445.369 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839296770 VICWGJUKXWVGLM-DNVCBOLYSA-N 430.860 0.855 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898833 VDOQVZJDSHFEAY-DYVFJYSZSA-N 447.326 0.570 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840033905 UMQNXNMMJGMABS-MEBBXXQBSA-N 446.258 0.171 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1840153000 APQSMGZSPXDJDF-KKSFZXQISA-N 448.907 0.954 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841750788 JBGFLFAGFOCOND-KGLIPLIRSA-N 431.917 0.425 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Br)C3)nc1 1842255890 QXZBCGWFUGZPRS-GFCCVEGCSA-N 434.287 0.993 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2c1=O 26546605 KHXPJRAKSVOSRS-UHFFFAOYSA-N 429.458 0.447 50 20 ICGD COc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1O 728330464 MJFRKODIEDCRRF-YPLUBFQTSA-N 428.397 0.945 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 732196286 CHACHUCHMIPEBR-OAHLLOKOSA-N 433.534 0.795 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732474079 GGAKRJDKVLFJJK-INIZCTEOSA-N 442.538 0.501 50 20 ICGD C[C@H]1CC[C@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 738309630 OMMMETJNPRYXAU-IRXDYDNUSA-N 432.525 0.846 50 20 ICGD NC(=O)Cn1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 742598868 HQCPWKXHHUXZTH-IBGZPJMESA-N 433.472 0.152 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 744919821 FWPAEUKWCDVZBU-GFCCVEGCSA-N 427.417 0.116 50 20 ICGD CS(=O)(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 748147584 IDUSTPCTXYVNLZ-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCCN3CCOCC3)cc2)CC1 748619572 KTKKKPZZLGULJS-UHFFFAOYSA-N 439.582 0.568 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)o1 751617818 MYFBTZWLCSCWKP-UHFFFAOYSA-N 430.464 0.366 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1 751620416 TTZGPLMNGLZPGQ-LLVKDONJSA-N 427.552 0.607 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)o1 752355928 HUBCLJXDNNOBQA-UHFFFAOYSA-N 436.490 0.894 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 753481566 CDOFAWNTAZTHIE-GFCCVEGCSA-N 439.515 0.892 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1csc(N2CCOCC2)n1 753800616 WWCHMGUHKBNLLN-ZIAGYGMSSA-N 443.551 0.376 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nnc(SCc2ccccc2)s1 755416326 CRPMAUXCUXRVNB-SECBINFHSA-N 430.537 0.921 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@H](C)O1 756840098 UGCIZLWPAVNGAX-STQMWFEESA-N 444.448 0.714 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)CC2CCCC2)C1=O 757627777 HYXMZCJBKNKNEX-UHFFFAOYSA-N 430.465 0.913 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccc(C#N)cc1 757872147 SQWGYPOGBBWCQX-OAHLLOKOSA-N 446.489 0.963 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760437848 LJYJBIVMXMJIGC-UHFFFAOYSA-N 434.497 0.873 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCSC1 761836446 TXOOJQYDMQBBIR-HNNXBMFYSA-N 427.548 0.541 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 762264894 CSSCDICVMRXMFM-JKSUJKDBSA-N 440.478 0.024 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762424337 GXAGOSIDPADADO-GUTXKFCHSA-N 432.543 0.832 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCCc1cccs1 763028808 JEBPZZBBQBUIPN-NSHDSACASA-N 439.519 0.087 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3O)cc2)CC1 763525349 AKCLHBRAQZDMAX-UHFFFAOYSA-N 425.489 0.929 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763549401 ZSDYGULQORYYDU-UHFFFAOYSA-N 429.385 0.757 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763682302 ZDWGWFBRIQACIX-UHFFFAOYSA-N 434.449 0.958 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C 763802819 HRIRWHULXXZBSS-UHFFFAOYSA-N 436.402 0.916 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n(-c2cccc(Cl)c2)n1 763996714 FOJJLMCKXSNFRS-NSHDSACASA-N 439.881 0.355 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275056 IHKUCPSXOQZLQN-UHFFFAOYSA-N 439.432 0.792 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764366500 BMRDBRXFLOTZBD-UHFFFAOYSA-N 427.461 0.529 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1 764410502 JRJTYBZCXZHIKQ-UHFFFAOYSA-N 442.856 0.928 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)nc2n(C)c1=O 768261420 UAXBPUGANRJKAE-UHFFFAOYSA-N 425.430 0.159 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2)c1 770402562 PCFLFKRXMRVACA-NSHDSACASA-N 428.453 0.991 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 770951787 UFIBPKRMCHKNLV-XHSDSOJGSA-N 426.539 0.309 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 783999629 QIXSMFQOZMIABG-UHFFFAOYSA-N 436.774 0.989 50 20 ICGD CCOC(=O)c1csc(CCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 786849209 SPRHJZFLZIFKCY-UHFFFAOYSA-N 444.473 0.753 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787887323 YMFZAQLVOJJKPJ-GFCCVEGCSA-N 436.446 0.873 50 20 ICGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 789585038 WBABTGKFTNHUHC-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(Cn4cccn4)on3)CC2)cc1 794394279 VZFFRLSAGXECQK-UHFFFAOYSA-N 437.504 0.807 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c(F)ccc(I)c1F 794507881 IIQPJSNIDRHOIV-ZCFIWIBFSA-N 431.202 0.957 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)Cn1cnc2ccccc21 794767666 SFRCNKNVFITHRH-UHFFFAOYSA-N 427.446 0.039 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCC(F)(F)F)cc1OCC 798315955 RFPARNXFZXLIMV-UHFFFAOYSA-N 442.416 0.655 50 20 ICGD CCn1c(NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)nc2ccccc2c1=O 798318829 SFJBMPZYAYJYCB-UHFFFAOYSA-N 445.501 0.786 50 20 ICGD COC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 799232539 HXQKQAWSBRWVOJ-UHFFFAOYSA-N 448.461 0.514 50 20 ICGD CN1CCN(CCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1(C)C 799396758 OCXBCHFQKPUJOU-UHFFFAOYSA-N 426.543 0.452 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C3CCC3)ccc2F)CC1 801155246 GRMSAGNEWRMGFW-UHFFFAOYSA-N 426.470 0.240 50 20 ICGD O=C(NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)Nc1ccc(OC(F)F)cc1 802045446 QCHMGLRADVUCOU-UHFFFAOYSA-N 427.389 0.938 50 20 ICGD O=C(NCCn1cc(Br)cn1)NNC(=O)C1CCN(c2ncccn2)CC1 805067767 CNECRGLPDACMCL-UHFFFAOYSA-N 437.302 0.683 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 807369328 VUNAIPZTPSAYPM-UHFFFAOYSA-N 429.495 0.727 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3ncnc4ccsc34)c2)CCN1 812983461 SGOYPAYNUJODIE-UHFFFAOYSA-N 425.474 0.705 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 813033872 PAYHPIDRAJBCDL-UHFFFAOYSA-N 446.489 0.762 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 814271240 YANITHRKZXNOCR-UHFFFAOYSA-N 446.489 0.655 50 20 ICGD CN(Cc1ccccc1S(N)(=O)=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 814271538 LTRXLWAOUPPFSY-UHFFFAOYSA-N 430.284 0.911 50 20 ICGD COc1cccc(-c2n[nH]cc2C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 814785575 XISRFODCNUBGCL-UHFFFAOYSA-N 429.462 0.120 50 20 ICGD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692712 ZDTVDELEGJLPPA-JTQLQIEISA-N 439.398 0.711 50 20 ICGD O=C(COC(=O)Cc1ccc2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 846742971 SAVRGNNXFGBWDH-GOSISDBHSA-N 428.397 0.531 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 912879832 GBSLHYNJLRDLNE-CQSZACIVSA-N 437.449 0.877 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 913081624 VROOMAGQVFKNFV-SFHVURJKSA-N 433.472 0.866 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1CCS(=O)(=O)CC1 916143763 CLWOWXQQSGOIFR-NSHDSACASA-N 434.312 0.094 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccn2)CC1 916389854 HAPOXBYXINWSNB-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)c1ccc(Br)o1 917925271 HLWWAXFYSMWZGP-UHFFFAOYSA-N 448.237 0.551 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)NNC(=O)c1ccccc1 919539629 UVQCWCSTXKVEFK-UHFFFAOYSA-N 443.437 0.612 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCC[C@H]2N(C)C)cc1 1116039337 BPVLVCLXPLCPTL-DLBZAZTESA-N 425.555 0.819 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1 1117627235 YYRSSVLXOCGSTJ-CQSZACIVSA-N 426.506 0.802 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154269 VJHGBXWNBBUDTR-CXAGYDPISA-N 432.315 0.690 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1779158646 RWLYFFCJFGTFRQ-MNQDVBFDSA-N 441.492 0.225 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCS1)C2 1779371139 HJQCGUWNRXRTBG-DYESRHJHSA-N 445.545 0.833 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098796 NONCMSLBRZOKBA-DAYGRLMNSA-N 431.375 0.236 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329189 APJMKLYYBLHYSP-CZUORRHYSA-N 433.278 0.664 50 20 ICGD O=C(c1cnn2ncccc12)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331150 LTBNTGXQVCYETE-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CBr)C2)n1cnnn1 1782594644 AATSQVABSKZIBS-SZOQZIPDSA-N 443.346 0.779 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217809 TWDSEXGQDNVPDZ-MHEUCROKSA-N 429.861 0.025 50 20 ICGD O=C(COc1cc(Cl)ccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788727316 QSZVQRRCXRJFRD-MHEUCROKSA-N 432.304 0.693 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1788762785 WXWSNEXRLNVOBY-AVGNSLFASA-N 425.518 0.763 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1791056109 NXERSWOLWYUSIZ-JURCDPSOSA-N 439.310 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1791286950 OYKOTMPQSDKIQF-UFYCRDLUSA-N 441.532 0.453 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1793535813 FSLRCQOQVWZVTL-HHHUOAJASA-N 428.324 0.643 50 20 ICGD C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793592264 FTXDIBIMLZIBRS-QRJUGERDSA-N 445.944 0.645 50 20 ICGD Cc1cc(Br)cnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794962514 JBBZGTUARNNZIC-WJNVRWDZSA-N 446.729 0.955 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1795114832 BBPMXSJJFPGNOL-DIYOJNKTSA-N 440.220 0.812 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(C)n1)C2 1796440840 BMOCSEDCRYVANH-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2 1797750457 FXYZDCVAPKXGRW-ZSBFGKGUSA-N 449.471 0.078 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1799455426 IKLKYLKBEXHOCT-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)C2 1800981809 SDGDSRCXARIDBX-IZKTWJBDSA-N 428.913 0.585 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2 1801012467 HQOBVYWFNNLNBR-GPVSGQMNSA-N 441.532 0.673 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805246995 VUONPWKQIXVWJZ-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnn1 1813074020 NVUOYSKMQNAUED-OXFYSEKESA-N 442.524 0.313 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1 1814188319 QAHAJGIEPDTNPM-LBPRGKRZSA-N 444.517 0.794 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471778 MTVNKXKGDMNMDI-ACJLOTCBSA-N 441.297 0.262 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](F)Cl)CC3)CC1 1818895085 LEOCFWKQZKPSJE-IAQYHMDHSA-N 431.921 0.754 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414667 XPDBGENVMVUUPE-XJKSGUPXSA-N 435.529 0.642 50 20 ICGD COc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080312 ATNUQKPMIJCLSR-LLVKDONJSA-N 449.537 0.484 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829093076 DQODKRHICBCLKD-FUHWJXTLSA-N 435.569 0.670 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1830539024 YXAGTFGDHBXGJD-KDOFPFPSSA-N 443.342 0.450 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722599 FKPRWGNQIPQBCY-LIRRHRJNSA-N 439.852 0.604 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831179995 CNDQGMBRNVYZOR-NRFANRHFSA-N 438.337 0.805 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1)[C@@H](O)CCl 1833312128 KJQFGWBHISHPOT-KRWDZBQOSA-N 439.944 0.286 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1833509689 VOSHOQLODVQQFB-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)NC1CC1 1837250266 OAHJCAGYMAVLAA-JXCVUKRWSA-N 444.326 0.063 50 20 ICGD CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837259975 BWDLSPWKDYDLIF-SVSHFISSSA-N 447.492 0.127 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3)C2)C1 1837459597 LHUNLMRKTLAMLB-QFIPXVFZSA-N 439.472 0.069 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1838042481 YLBZUFCWKZCNJZ-SFHVURJKSA-N 443.342 0.838 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838528829 CXVNWZVCBJIIHD-UZLBHIALSA-N 425.913 0.863 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669935 FINJJFXBXPLFDC-ACJLOTCBSA-N 428.873 0.035 50 20 ICGD C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)Oc1ccccc1 1839744781 DVTGVUDYCHQKOY-PLMTUMEDSA-N 440.924 0.900 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839964313 NMPRJLNGTNQNGR-CXAGYDPISA-N 445.314 0.550 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030720 UTKGDPMAPGKVQT-RDTXWAMCSA-N 448.358 0.533 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1840151389 AHCKMQVVYUEHHZ-GTNSWQLSSA-N 437.827 0.936 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840389065 ZUMTUPBNYKMHHA-YLJYHZDGSA-N 442.944 0.682 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466514 LIQQMIHWVVSVAI-SUMWQHHRSA-N 429.315 0.202 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840712332 FZOJAMDVPPPVRU-FYINFDKHSA-N 435.908 0.983 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)C1 1841339703 NLYARYOPQICNDK-DLBZAZTESA-N 436.553 0.932 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1841923907 CZFRKLSLTRCBAC-KBPBESRZSA-N 442.944 0.848 50 20 ICGD O=C(c1cnc(-c2ccccn2)nc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010607 KKCUSTDPVYABOM-UHFFFAOYSA-N 443.272 0.349 50 20 ICGD COc1cc(F)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(F)c1 1843011975 QMDKCZJTVUKQLR-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265568 PNLFCZJQZJUFFB-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1ccc(S(=O)(=O)C(F)F)cc1 728975072 BXGDPLNMIYQPAR-UHFFFAOYSA-N 434.446 0.890 50 20 ICGD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274432 JYQZBOKOYOAQQG-HTQZYQBOSA-N 425.294 0.197 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2c(C)nc(-c3ncccn3)nc2O)cc1 729714120 YAMLTZMARWRPNT-UHFFFAOYSA-N 436.428 0.803 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)NCCN2CCOCC2)c1C 732156993 RFCLHXYSGJGSAF-SYERDGIWSA-N 431.537 0.784 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 732302024 RTQJTZVIZDGPPS-UHFFFAOYSA-N 444.560 0.913 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)OCCCO3)CC1 735118413 VBNSXZFAKOROAX-UHFFFAOYSA-N 447.517 0.936 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)c2ccccc2O)CC1 735189763 FILVNZGOKUMBPA-UHFFFAOYSA-N 447.517 0.473 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccccc1C#N 735586761 OXVUOZHJAQEXAS-KRWDZBQOSA-N 437.504 0.873 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1C 736694451 ZYQNDUYUEAHZOF-UHFFFAOYSA-N 435.448 0.907 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 737768708 ZGRAZWXBVYFKLQ-NSHDSACASA-N 429.408 0.308 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)COCc1ccccc1 737922762 BOAXSGHLAGCJKA-UHFFFAOYSA-N 436.446 0.627 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744553953 CQEWXVSSDUTDIY-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)N1C(=O)c2ccccc2C1=O 746185547 KDZLKEGKSIZABK-WBVHZDCISA-N 436.424 0.068 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C[C@@H](C)O1 746678329 PTMPFDVQKBFWBT-IYBDPMFKSA-N 434.541 0.592 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NNC(=O)CCOc1ccccc1 747108082 LVNWCTHRNKADQP-UHFFFAOYSA-N 448.505 0.732 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1C 748246448 KPWLDQIOMOROFD-UHFFFAOYSA-N 436.534 0.474 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)N1CCCC1 748246488 BFRIJOBTWIPVDV-GOSISDBHSA-N 446.529 0.913 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)N1CCCC1 748246492 BFRIJOBTWIPVDV-SFHVURJKSA-N 446.529 0.913 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 751211715 ULOPVLAKGFFNEH-GFCCVEGCSA-N 444.469 0.450 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 758029709 NHFQHEMEXDTFCH-VIFPVBQESA-N 433.918 0.959 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNc2nc(C)cc(OC)n2)cc1 760200084 UBOIWRGZCZLGHM-UHFFFAOYSA-N 437.478 0.708 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 760334609 JWHNUNOBQMMBGM-CQSZACIVSA-N 430.435 0.379 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2nccc(N3CCOCC3)n2)c1 762855072 FKXFJZQOSFBUPG-UHFFFAOYSA-N 426.886 0.632 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)c1 763666047 VKLMLTUKECZKCG-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 763758202 KGLZBXSVILSDGU-UHFFFAOYSA-N 428.511 0.878 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 763864981 GAABLNZRDQXOTK-UHFFFAOYSA-N 449.467 0.969 50 20 ICGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763997342 JVTNFFMAZIVSTR-VIFPVBQESA-N 431.492 0.008 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1-n1cccn1 764002643 OZNATYXJODMWHF-JTQLQIEISA-N 425.854 0.046 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)c1 764063603 UQXTTWWHUPCUFR-UHFFFAOYSA-N 435.234 0.713 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c(C)c1 764139660 XPMUDFSOBFIORJ-UHFFFAOYSA-N 429.429 0.884 50 20 ICGD CC(=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cccc(-n2cnnn2)c1 764827856 KIBGKDMZVQUAKQ-UHFFFAOYSA-N 432.488 0.961 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cnc(Cl)n3C)CC2)cc1 765126801 NDYFPLDVVWJFJU-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1(O)CCSCC1 765178578 YKYBTHWLTSGNRB-UHFFFAOYSA-N 426.970 0.863 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccnc(Br)c1 771562125 VHJWBQCVXKPDSL-VIFPVBQESA-N 442.295 0.753 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCCNC(=O)c2cccnc2)ccc1Cl 772222379 NBVIEMBNLVZIIZ-UHFFFAOYSA-N 439.881 0.354 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1F 773251478 XKVNBJKQOCYSAG-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436779 QAPVYVOFLFHSSH-UHFFFAOYSA-N 426.495 0.821 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 783999390 NNZPGLDDYUGWAF-UHFFFAOYSA-N 449.467 0.598 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 786358079 DSOLNAQHEJFKOE-OMNBBPDLSA-N 449.847 0.197 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 789334780 NMLUDYKMDXORJD-DLBZAZTESA-N 440.522 0.609 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1C(N)=O 789767477 AVAOMHQWKFXLLZ-UHFFFAOYSA-N 438.444 0.549 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 792803486 TVVFQVKLOSMCOK-QRWLVFNGSA-N 449.529 0.812 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 793027265 WXSUCZQUMYJDSL-GFCCVEGCSA-N 446.489 0.928 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1C 794598967 QGAWOGFBMYFSCG-UHFFFAOYSA-N 438.462 0.438 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)C2=O 795169765 WVYBECCJIVQSAY-ORAYPTAESA-N 437.522 0.881 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 797369008 LRQYDOLGZIOJTF-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](CN2CCOCC2)C1)C1CCN(c2ncccn2)CC1 801013217 NHVXHUQCSNBBCG-QGZVFWFLSA-N 431.541 0.478 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)Cn3nc(C)cc3C)C2=O)c(OC)c1 807577832 KQIATIPSWFHIDW-KRWDZBQOSA-N 444.492 0.649 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c2ccccc2c1=O 812466394 JHEVBRMOJYWSOJ-FPLPWBNLSA-N 430.465 0.958 50 20 ICGD O=C(NNC(=O)c1c(O)cnc2c(Br)cccc12)N[C@@H]1CCS(=O)(=O)C1 813420436 JPPKZFGHZNXAIM-MRVPVSSYSA-N 443.279 0.834 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 815691348 NDCIPNNMGCWZAN-QMMMGPOBSA-N 428.783 0.881 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 913534531 UULGPVXGUQQKJS-GFCCVEGCSA-N 437.474 0.840 50 20 ICGD O=C(NCc1nnc2n1CCC2)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916235351 NHLPMPIRFYCRFL-UHFFFAOYSA-N 447.521 0.543 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)c2ccccc2c1=O 917387341 PWYLMDIIGXILIP-UHFFFAOYSA-N 435.506 0.383 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 920297374 DTGNFCHZYAKSNR-ZDUSSCGKSA-N 443.489 0.087 50 20 ICGD CN1CCN(c2ccccc2CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1318509738 PCYRVXVEWQPVNI-UHFFFAOYSA-N 449.515 0.830 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(O)Cc4ccccc4C3)cc2)CC1 1324281822 PSKKSSVAKBUSSE-UHFFFAOYSA-N 430.530 0.596 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778007026 DKAUGNYCCDHSEY-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CO)o2)C1 1779713041 AFLPXXYZZREVRY-DYESRHJHSA-N 436.509 0.272 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780176420 WHCITOJQXMSWSD-JOCHJYFZSA-N 443.504 0.383 50 20 ICGD C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968436 LLQVSIWPGWNTHD-JOCHJYFZSA-N 429.521 0.739 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)C2 1782176205 XWDLAXGIGLOHHQ-HWWQOWPSSA-N 444.834 0.860 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2ccccn12 1783935338 SSTGQUOUNUILEN-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD O=C1CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)CN1 1785898072 FEEDBFFPOBRCHU-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccoc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984501 MWHXYDQCNNHING-XERREHJYSA-N 449.272 0.415 50 20 ICGD O=C(COc1cc(Cl)ccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788727319 QSZVQRRCXRJFRD-MXAVVETBSA-N 432.304 0.693 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765914 WNYNDXQCQQSDLA-VGWMRTNUSA-N 449.646 0.145 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 1791288802 VNVPFWQBUXVEDZ-IHRRRGAJSA-N 426.514 0.854 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791296874 VTAJALDYWIHEGT-RMIALFOJSA-N 440.324 0.613 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793592262 FTXDIBIMLZIBRS-DGADGQDISA-N 445.944 0.645 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CCC(CC1)CC3)C2)c1ccc(B(O)O)cc1 1795736687 AXMIYAJRXYXNIE-BUOXLWHKSA-N 426.322 0.540 50 20 ICGD C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795741288 SBBHWTUVSLYVHN-GJPCKUABSA-N 436.317 0.763 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2cccc(F)c12 1800079596 KOBQPNCSFYMDLK-DBWKPXFBSA-N 446.483 0.278 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCCC1(F)F)C2 1801011623 SLLWUFHLOXVLPH-QOIYZWAUSA-N 448.486 0.867 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807073630 NCKODROIINJSCD-MTOHEIAKSA-N 438.337 0.454 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1807363652 AYCRYAPQROWUMX-PBRLVZIUSA-N 437.261 0.112 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369268 DIVWEABUEYKNRN-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]3c3cccnc3)cc21 1808310945 LJFWBPUMQSDANI-UHOFOFEASA-N 434.859 0.876 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1 1810295590 UBWDOKZYVBWKQA-KSSFIOAISA-N 435.444 0.702 50 20 ICGD N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817296557 HQCLRLGMGRHTFB-GXFFZTMASA-N 430.282 0.932 50 20 ICGD Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817470908 LULCWURBIMZBSA-GOSISDBHSA-N 434.265 0.808 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)o1 1817534419 ALMGUOGGADHOPG-INIZCTEOSA-N 438.253 0.330 50 20 ICGD COc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)cn1 1822412705 FSROMGIXPMCWMF-HNNXBMFYSA-N 444.496 0.887 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCOC1 1823466080 POCNFOONUVPPFW-MAUKXSAKSA-N 426.282 0.822 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C1(O)CCC1 1829733043 CJRMZJPLJMVRCQ-RHSMWYFYSA-N 433.343 0.779 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537037 ANFDNPMCRZNBOV-DIFFPNOSSA-N 445.314 0.666 50 20 ICGD CCOc1ccsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720280 VSYCZDKHADTXKJ-SCLBCKFNSA-N 432.926 0.817 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831429365 NFIGROGOXXTERX-QRWLVFNGSA-N 429.326 0.124 50 20 ICGD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n(C)n1 1833312503 PQWAVPRGJSGNNP-GOSISDBHSA-N 425.961 0.767 50 20 ICGD C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797411 JAYYGGLBPWPCES-UHFFFAOYSA-N 445.394 0.471 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1834822992 CIUNECNKULCDEZ-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837126645 HTXUXLCBPBGVNN-KBXCAEBGSA-N 427.910 0.899 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1837770467 PEESIDYCXVQQSB-AWEZNQCLSA-N 443.335 0.720 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839048014 GWVQOWCGVDDEGA-SJLPKXTDSA-N 425.848 0.263 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839116803 PBSJLXUIQONHNE-JXFKEZNVSA-N 429.945 0.061 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198952 PJZIIWJPFFOKSO-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648472 NLVKZHNJEBANGO-RSCLQEFHSA-N 446.342 0.656 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cn1 1840151015 UZJVTBAICKXKKY-AUUYWEPGSA-N 442.900 0.199 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1840156714 XUFISWKEUUVVNS-PXNSSMCTSA-N 442.944 0.682 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840156847 WBMYHKUZXCTPBF-OXJNMPFZSA-N 439.896 0.109 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187656 PDYMQTPNRLRIOX-SFHVURJKSA-N 446.287 0.727 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204850 QLACRVYJKIABCX-ABAIWWIYSA-N 429.823 0.139 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1ccccc1 1840799845 RTXJATZALWQXSV-XLIONFOSSA-N 441.887 0.797 50 20 ICGD O=C(c1ccc2nnc(Br)n2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560481 UBJPUNXKDDWGJC-SDDRHHMPSA-N 442.701 0.907 50 20 ICGD Cn1cccc1C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 726541216 TVXAKTFRFONPKY-UHFFFAOYSA-N 436.490 0.706 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018005 CLSNKBUTXMJDEY-NQADCFBISA-N 439.563 0.999 50 20 ICGD O=C(NCCn1c(=O)oc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 730128205 VAUFWMPNNJFZRJ-UHFFFAOYSA-N 432.462 0.532 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240262 LWIWJFHLPBMKAU-ZDUSSCGKSA-N 435.481 0.903 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744554048 FASOBNAWVCOLKR-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744572784 UKSLRLUUTYDZIT-LBPRGKRZSA-N 448.432 0.369 50 20 ICGD CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 745897237 AIQNHDYJEULKHN-UHFFFAOYSA-N 439.582 0.742 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1 746105715 BVCMXNGMXKKDKY-UHFFFAOYSA-N 427.442 0.950 50 20 ICGD COC(=O)c1cn(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 747371621 UDGYJZKBJPNOGK-HXUWFJFHSA-N 448.483 0.839 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)Cc2cccc(F)c2)c1 749015186 VIFVNCUONQYTNF-UHFFFAOYSA-N 436.465 0.532 50 20 ICGD CCN(CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 750828238 QMIAJXMZXAVNHH-UHFFFAOYSA-N 438.550 0.272 50 20 ICGD COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 753442575 IQPUALRVNDHWIE-UHFFFAOYSA-N 427.866 0.927 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 755423733 PXIZOCRQEVOGOC-VXGBXAGGSA-N 436.494 0.983 50 20 ICGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 755867304 KZWWAMOKRPTRQT-RQPMMQJISA-N 445.863 0.636 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 757764818 SROGOWDFEGHKFP-SECBINFHSA-N 427.870 0.990 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)C(=O)Nc1ccccn1 758840573 JXLZQYKHCAWPOZ-UHFFFAOYSA-N 425.854 0.190 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1OCC 758905769 BFZPHVMUNWABJV-UHFFFAOYSA-N 429.433 0.395 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763728181 IWHWVOSBUGRHMK-UHFFFAOYSA-N 427.465 0.090 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763858541 UOZAMNLLBUDLNT-CYBMUJFWSA-N 443.435 0.904 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccc3ccccc23)c1 764020013 SRMDRLWKVDQFCV-UHFFFAOYSA-N 447.451 0.384 50 20 ICGD COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764034076 DPRQGCSBIPHXLT-UHFFFAOYSA-N 439.515 0.887 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764281253 OIGQITBCJSLWSR-UHFFFAOYSA-N 448.501 0.798 50 20 ICGD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435427 VDDIUDKLCFWUID-HBUWYVDXSA-N 446.504 0.614 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNc2nccnc2OC)ccc1C 766260939 NBEDAICNONDCPB-UHFFFAOYSA-N 436.494 0.906 50 20 ICGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 768248364 WQQQVWSQPKYTBE-LLVKDONJSA-N 448.339 0.768 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1 772184125 WKZZTRNXBCTIJK-UHFFFAOYSA-N 428.854 0.227 50 20 ICGD COc1ccc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 780965930 YSEJBNZVUUQPFF-UHFFFAOYSA-N 435.510 0.263 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)CN3CCN(C)C(=O)C3)cc12 781883789 HEXDIAGEGPNUIO-UHFFFAOYSA-N 426.502 0.930 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ncn1 783947674 DLYYAFLMMIXNLY-JLPGSUDCSA-N 431.478 0.680 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(OC)c1 785490268 YKISFXPQKAJAPQ-UHFFFAOYSA-N 427.460 0.283 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 787432807 CISXHVREHZDWET-UHFFFAOYSA-N 430.852 0.738 50 20 ICGD COc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1S(=O)(=O)NC1CC1 788179337 ZOGWYHUIPBGQQH-UHFFFAOYSA-N 429.462 0.869 50 20 ICGD COc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1S(=O)(=O)NC(C)C 788224484 USXYQAPKUMSIHV-UHFFFAOYSA-N 442.519 0.786 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(F)c1 790387679 SVQMAHVTGHYGTL-UHFFFAOYSA-N 437.858 0.758 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 794597385 RSSABGLEWXTBAW-UHFFFAOYSA-N 449.489 0.487 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cnn1-c1ccccn1 794598209 CNPWIYFYMAJJIK-UHFFFAOYSA-N 444.473 0.812 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 794732407 VIQXMNRSVRVVBR-UHFFFAOYSA-N 438.487 0.225 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)c1ccoc1 795287337 VYZZDWCJCCRXQZ-UHFFFAOYSA-N 443.503 0.243 50 20 ICGD C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 799409447 CAHCFYUINKYGOA-CQSZACIVSA-N 431.518 0.878 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 800983387 IBOZXUIBHHAHRX-INIZCTEOSA-N 435.448 0.913 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Nc1cc(F)cc(F)c1 802003419 OEAJRTNRNBYTAV-UHFFFAOYSA-N 442.390 0.995 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)CCOCC(F)(F)F)c1 811676323 AROMUKTVOYULRS-UHFFFAOYSA-N 433.430 0.080 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 863999135 OKKIWRVBMCYSLD-NRFANRHFSA-N 426.429 0.689 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1csnn1)N(S(C)(=O)=O)CC2 915951712 NHOQXDSLYBSRPP-AWEZNQCLSA-N 439.519 0.955 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)c2ccccn2)cc1C 917371393 LTAABBRVJGRECP-MRXNPFEDSA-N 433.490 0.072 50 20 ICGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1318917613 BVOPUYVBPHZSKZ-UHFFFAOYSA-N 449.574 0.636 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1779295235 BKJJDKCMKUVNAC-YJBOKZPZSA-N 426.615 0.694 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1780702660 ZMTROPWXJMJYQH-XJKCOSOUSA-N 425.850 0.243 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781351148 IARWJNJUEADEAG-UVBSCNOISA-N 437.896 0.626 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1782146726 GRLHXIXAXXFCJX-MAUKXSAKSA-N 448.900 0.272 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782718175 IEPLXSMMLFALHH-XJKCOSOUSA-N 439.372 0.718 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783349988 XTTZNGUQPOZSOZ-BZNIZROVSA-N 429.319 0.323 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786406163 WEEJTZXTPFWBCQ-DCAQKATOSA-N 430.259 0.696 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1cncn1 1788143853 YTIFCLMRXSDKCH-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921535 NXOJOFVKXJFCMH-MOLYVOAJSA-N 443.335 0.337 50 20 ICGD C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1791047292 LPTSVRGBXRIAPZ-QTVXIADOSA-N 433.933 0.479 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1791254967 YKQBTQOPIYIUBE-XQLPTFJDSA-N 428.942 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1794031488 KWJKIDNTXCCMQR-DKKFBQAASA-N 447.580 0.789 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853662 LWINIHQUMCJQKH-RBCWYBIJSA-N 442.426 0.753 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)c1)C2 1797749773 RFPMSZFCIISMQJ-FVCICTRLSA-N 444.879 0.251 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1800183204 AODLOFWGZQUMNO-FMSGJZPZSA-N 435.388 0.091 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1F 1801868701 FXRBFCZJEYNDSB-LMWOUKEDSA-N 448.900 0.032 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805719427 CDGNXOBOBYKGML-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361528 IRAWGAFXQQPAFK-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnco2)[C@H]1c1cccnc1 1810295589 UBWDOKZYVBWKQA-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811486117 MAKLDWMSJJTYDC-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713869 YEGHRJDPPGMQAY-HKUYNNGSSA-N 440.972 0.639 50 20 ICGD CC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276158 NFKOBTDARBCPHC-UNTWHKPFSA-N 432.506 0.960 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)c1cccn1C)CC2 1826091823 FERIQCHVXMJHIV-LBPRGKRZSA-N 446.533 0.650 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830225926 WAQGOVQKTQWAEE-FOIQADDNSA-N 442.896 0.130 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1830538307 BNXXIMGXBIEQOZ-CXAGYDPISA-N 427.299 0.578 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831189116 VDDJJPUFRPNFCD-JEBQAFNWSA-N 438.352 0.594 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1831646820 NBNMXNHJVLDOPH-FZKQIMNGSA-N 428.873 0.365 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832056506 MRLSNVCBQPDGRI-RVKKMQEKSA-N 432.359 0.568 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)CC1)[C@H](O)CCl 1833312513 WVURJEQKAHUQPR-VQTJNVASSA-N 437.968 0.761 50 20 ICGD C[C@](O)(C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1833638505 DKZCZODNLMVIPG-CJNGLKHVSA-N 429.867 0.471 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833947454 WSNKORALQSTJLU-OAHLLOKOSA-N 427.933 0.565 50 20 ICGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)CC1 1834623959 XUIOATDSTJAYJU-LJQANCHMSA-N 431.984 0.730 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834823352 PQTOOBSARACMPK-IVCQMTBJSA-N 439.372 0.387 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835147570 DWIGBMRHUIPRND-UZLBHIALSA-N 426.897 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837980484 CDIGUMVBYFYGLL-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197692 FTLNTNSYXJCBBQ-BBRMVZONSA-N 432.246 0.081 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200459 LHRLPZLVTCNFLP-HIFRSBDPSA-N 441.370 0.985 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034028 YEMWHVQJWFYLNF-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840151792 NPDKGRYSXFSCHN-DNVCBOLYSA-N 428.917 0.535 50 20 ICGD CC1(C)CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1840224881 LNVXNRULUTWIIT-JOCHJYFZSA-N 445.520 0.191 50 20 ICGD CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1Cl 1843013433 IEAYTAIBSBTUNO-UHFFFAOYSA-N 430.701 0.447 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1846070393 GVEQWUOYQHVMFK-OAHLLOKOSA-N 429.359 0.527 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 24124179 FDRNGSZSPJTXJQ-UHFFFAOYSA-N 429.296 0.944 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c2ccccc2c1=O 115491889 GFZMCMSQLQUOTM-UHFFFAOYSA-N 441.831 0.774 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)CCN1 727759935 JWRLNDMBYMRECA-UHFFFAOYSA-N 428.392 0.981 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)cc(OC)c1OC 728850851 DIMJMFVEAMPPJX-CQSZACIVSA-N 428.445 0.850 50 20 ICGD O=C(CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(F)c(F)c1 728960111 UNPYHCDCKOLRDJ-UHFFFAOYSA-N 433.419 0.940 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 729166190 MYWJAKVPZVJZIC-UHFFFAOYSA-N 437.504 0.233 50 20 ICGD CCOc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCc1cccnc1 729276660 JZNBNZPAEHKYSO-ZDUSSCGKSA-N 436.490 0.758 50 20 ICGD O=C(NNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)N[C@@H]1CCS(=O)(=O)C1 729340775 LZMFBMPRANBLNN-SECBINFHSA-N 428.364 0.492 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731630605 JDDMRKJKCQGQTC-YESZJQIVSA-N 432.502 0.429 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1Br 732241750 FRVKKUCQPDMYSU-NSHDSACASA-N 449.327 0.826 50 20 ICGD Cc1ccc2c(=O)c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cn(C)c2n1 734041942 GFJGZXGTJQNRPG-UHFFFAOYSA-N 439.384 0.768 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)cn1 735461488 JNCSLXVIMXKAAP-UHFFFAOYSA-N 428.268 0.691 50 20 ICGD CN(C)c1nccc(NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 740102440 JRFAXRBOXDTKBL-CQSZACIVSA-N 435.466 0.747 50 20 ICGD Cn1c(CC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)nc2ccccc21 741207204 KGVYDEGWOPNYFV-UHFFFAOYSA-N 444.492 0.343 50 20 ICGD COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)CC2=O)cc1 744667293 QOVBRTZBAWVBAV-MRXNPFEDSA-N 436.424 0.924 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1F 752586797 VUKYIHLVHGHERP-UHFFFAOYSA-N 434.405 0.223 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cnn(Cc3cccs3)c2n1 758056854 UBAILRFWXVTJKR-LLVKDONJSA-N 436.519 0.548 50 20 ICGD COC[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(N)=O 760083344 OJENSBOSVWJPMT-WDBUWWRISA-N 444.879 0.602 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c2ccccc2c1=O 760203433 LPWMOLLWCLCEBG-IUODEOHRSA-N 430.465 0.174 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CN2CCOC2=O)c1 763471839 MXXSQJDFLDJERF-UHFFFAOYSA-N 427.373 0.947 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 763548057 HLPZIIFJNUIFOL-UHFFFAOYSA-N 425.445 0.567 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763662199 GBHAHDKINMRMMX-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 763714408 VMBRFSNYDZARQH-GOSISDBHSA-N 441.440 0.742 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 763861881 SMAWWOVYRNRZBT-NSHDSACASA-N 432.408 0.877 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)ccc1-n1cnnn1 763947908 FEVPJRLKNPYGOY-UHFFFAOYSA-N 447.415 0.262 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 763999302 VFOCSPVXWMSOQI-CQSZACIVSA-N 449.460 0.925 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 764204572 POFIPJGHVDDLKW-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1S(=O)(=O)NC(C)(C)C 764264969 WJSZJBGTPAUJFK-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 764374367 PPHJYCHFFODHRP-UHFFFAOYSA-N 444.517 0.945 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 764394042 VLUABPBBJSKTAR-UHFFFAOYSA-N 442.453 0.799 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 764436027 ZAEIAGOFTZDPQJ-GOSISDBHSA-N 443.412 0.496 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3oc(C)cc3C)CC2)cc1 765728650 NTRUWYOVKOCLMX-UHFFFAOYSA-N 434.518 0.972 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CC2CCC(C(C)(C)C)CC2)n(C)c1=O 765730464 KIXQQKXEDVZCSR-UHFFFAOYSA-N 432.525 0.824 50 20 ICGD CCc1cccnc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766564902 SRPLZICHIIXNGY-UHFFFAOYSA-N 445.545 0.720 50 20 ICGD C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc2O1 767848688 DADZHZXBCDDVNG-LLVKDONJSA-N 439.353 0.999 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3nccnc3C(C)C)n[nH]c2n1 772845581 TUNVOIJPGSSYSG-UHFFFAOYSA-N 431.530 0.954 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772899080 YQKGIXYYHILDNF-UHFFFAOYSA-N 432.864 0.884 50 20 ICGD Cc1sc2ncc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)n2c1C 775954171 LMRCDKYMDLHYBR-UHFFFAOYSA-N 445.413 0.899 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cc(C)nc(C)n3)cc2)CC1 783326644 MFULAXIEZLLTGL-UHFFFAOYSA-N 441.492 0.470 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1cc(Br)c[nH]1 784312871 ZMPFYVUNCQCXEZ-QWHCGFSZSA-N 425.283 0.979 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785060869 QEMMNYAGCFHTDT-UHFFFAOYSA-N 438.444 0.178 50 20 ICGD Cn1nnc(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 787854269 SCPAGRZBGQLDTG-MDWZMJQESA-N 439.867 0.826 50 20 ICGD C[C@@H]1OCC[C@]12CN(C(=O)NNC(=O)c1csc(N3CCOCC3)n1)C[C@@H](C)O2 790496974 QNPNRTXIEGWXLH-VBHSOAQHSA-N 425.511 0.602 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)COc2ccc(Br)cc2)nn1 790913391 INSIEGKLEBVNFL-UHFFFAOYSA-N 441.242 0.237 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 797034483 KIDNSYJYUIIJQZ-UHFFFAOYSA-N 431.474 0.623 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 797606695 LJVXZTKYJRSZOB-UHFFFAOYSA-N 447.469 0.790 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 798124228 KWPUSKGXDBQLSW-UHFFFAOYSA-N 432.502 0.882 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N=c1cc[nH]cc1 802033308 SJQONLUXZIGKSI-UHFFFAOYSA-N 435.462 0.186 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977588 PZGGRONGUHJJCO-CABCVRRESA-N 440.456 0.395 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807263453 CYIBAWTUTZVVBJ-UHFFFAOYSA-N 435.506 0.062 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1 807390461 CWGSTWBDSJLPLZ-LLVKDONJSA-N 425.442 0.616 50 20 ICGD CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814709165 SZKSKPOPHIZFJD-UHFFFAOYSA-N 435.531 0.985 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1 825805829 RMUQEHAUILIDGC-UHFFFAOYSA-N 442.444 0.901 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 915686448 YYYAHTSHMWTENK-CHWSQXEVSA-N 447.435 0.636 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)nc1 916640674 OYOXJGZTEBSSMF-CQSZACIVSA-N 434.526 0.853 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccc(C)cc2O)c1 918341115 NQDVHQMNTMLEKJ-UHFFFAOYSA-N 436.490 0.354 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 919903395 RYIAYQMCLGTXIB-UHFFFAOYSA-N 439.472 0.340 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)nc2)c2ccccc2c1=O 920928463 FHRPETIKNPYEDR-UHFFFAOYSA-N 430.446 0.681 50 20 ICGD Cc1cc(Cl)cc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1116590329 PQFBBQRETKIYSY-UHFFFAOYSA-N 433.856 0.557 50 20 ICGD Cc1c(NC(=O)CSCC(=O)N2CC[C@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1118976032 UKVIDAJPMFTXIU-AWEZNQCLSA-N 432.311 0.231 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC)cc3)cc2S1(=O)=O 1317888193 ACXSXTXBZYDRAJ-UHFFFAOYSA-N 433.442 0.561 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1348514325 WLHFBYCBRYYGHO-UHFFFAOYSA-N 428.264 0.937 50 20 ICGD Cc1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778322505 QZTDGZFEDDAYHW-NFBKMPQASA-N 437.305 0.511 50 20 ICGD C[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC=CCC1 1779033728 CIOCHQCSAKOOKI-VXKWHMMOSA-N 427.505 0.875 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949196 WLOWSZXYDJJIBP-SFHVURJKSA-N 436.310 0.887 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1782208833 NEXVMBJUXJNATO-SSKCKEOISA-N 425.309 0.920 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1782208835 NEXVMBJUXJNATO-ZTFRIQLXSA-N 425.309 0.920 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783529161 FHURFFGWIJJPHU-XHDPSFHLSA-N 430.259 0.405 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])CCO2)C1 1783875804 TZORTLYMGGHOOJ-KPZWWZAWSA-N 442.856 0.696 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1783884036 ZLHKSJFFCLHHDQ-ACJLOTCBSA-N 425.848 0.566 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933465 ZMFACTBUHIUUBF-VGSWGCGISA-N 446.552 0.195 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)n(C)n1 1785615320 FKLNHSSOBMALLU-JYYRZZBQSA-N 433.278 0.713 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)(Cl)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786982984 DTMBUSUAEFVXJZ-UBHSHLNASA-N 449.527 0.330 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1790964367 NHTUCEUEZDNLIS-LXFSFDBISA-N 428.331 0.992 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCSCC1 1792538516 FYIWCRKVLARUTC-MOINTJSASA-N 446.577 0.807 50 20 ICGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1792864449 ZEDHBGLZDCBEHU-VLWCASSMSA-N 435.433 0.494 50 20 ICGD CC(C)COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)ccn1 1792978179 JHIKGUCONNMPRZ-DFGXFYAUSA-N 425.913 0.919 50 20 ICGD COc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792982453 DLONKVFRWUKBRE-LORHWOILSA-N 426.897 0.401 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2occc2c1 1797037587 ONTHJCDVGWFRPX-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1798522635 GPCLQAHPZOIFSB-IVWMJMPLSA-N 443.416 0.760 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1803537086 GJWHAFHWVDGACY-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807320849 WZMYRSYYGGXCNX-SIKLNZKXSA-N 438.337 0.469 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]3c3cccnc3)cc21 1808310942 LJFWBPUMQSDANI-DAXOMENPSA-N 434.859 0.876 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccncn2)[C@H]1c1cccnc1 1808515807 JMCQBXQAKYFDGP-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1810828948 FSLVAUHGBQGULE-HRAATJIYSA-N 443.504 0.860 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813179471 VYMNFHXNBPZOEG-ZRGWGRIASA-N 434.880 0.266 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814709209 PIFFELRNOWXAPA-CQSZACIVSA-N 447.404 0.860 50 20 ICGD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815344349 VAIRKQFJIBPJBY-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471716 YEPRSNIFVRQSFU-KRWDZBQOSA-N 430.270 0.058 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cncnc2)[nH]n1)c1cccc(B(O)O)c1 1817474910 IVCWZTOSXQDDEB-LJQANCHMSA-N 448.292 0.818 50 20 ICGD O=C(COC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1819606754 UBELXKYWYJCOLK-POYBYMJQSA-N 429.804 0.760 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cccn1 1822797322 BLRDQAJVGYAKCR-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ncn1)CC2 1826083954 VVLFGERGKGGUDC-JTQLQIEISA-N 433.494 0.238 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827060469 KQEAVFPOSCUIDE-IBGZPJMESA-N 442.321 0.553 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830537427 HQNXFKQJQFYSSQ-KRXQYRFLSA-N 434.375 0.847 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733056 DCECOOIOFZSQQP-APWZRJJASA-N 425.844 0.367 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831653905 GOLDHWNZHUKBII-OXQOHEQNSA-N 425.913 0.863 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166458 NAWZRVWQQNTCIT-BPNCWPANSA-N 447.248 0.540 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)CC1 1832377066 AKLIORGUTOJXKT-APWZRJJASA-N 429.521 0.955 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833174166 SLLTVNZGTJWYHT-KBXCAEBGSA-N 432.304 0.334 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312483 OINHZCAJDWAUPB-WMLDXEAASA-N 426.949 0.086 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836411882 BQZUEXNSWTWLPM-KUHUBIRLSA-N 439.852 0.604 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836715336 QBFCJUREDADVCN-INIZCTEOSA-N 428.917 0.641 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnn1 1838730456 UGQSEOFSHJVQRX-MRXNPFEDSA-N 449.556 0.211 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839146152 UZGFZKHYHMEREE-AUUYWEPGSA-N 426.901 0.753 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898832 VDOQVZJDSHFEAY-CXAGYDPISA-N 447.326 0.570 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839967352 JXLIUWQNQZUAJE-RHSMWYFYSA-N 444.330 0.298 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839967460 MZYFZXDKNYBANO-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840099930 JWRFDUTWUCKDAE-DYESRHJHSA-N 438.908 0.888 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840411093 XVKLMECBAXTCPF-IBGZPJMESA-N 438.557 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccccc2)C1 1841329579 ZYRDYMJORUKWKZ-FMIVXFBMSA-N 441.532 0.435 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1844264456 UVUCXLNLYOXFJW-UHFFFAOYSA-N 434.456 0.059 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1[N+](=O)[O-] 1846873047 QDYLIXPAEAAIIE-UHFFFAOYSA-N 439.233 0.414 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9889986 UEBXLFMWLKHCAP-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931147 MUTKIKSOOOCECP-VIFPVBQESA-N 429.907 0.867 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 11148122 HHKUWXZBFPEILW-UHFFFAOYSA-N 448.439 0.271 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CCCN1S(C)(=O)=O 18360628 JATHHKDAQZLXDK-LBPRGKRZSA-N 433.870 0.077 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1 726533609 DOVIMDANBWPTCZ-UHFFFAOYSA-N 430.486 0.895 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2c(C)nc3cc(O)nn3c2C)n1 729289177 YQFFFIBSOCMVOQ-UHFFFAOYSA-N 432.462 0.292 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)NC1=O 729298247 YMKOPRKVPBKABH-LLVKDONJSA-N 432.458 0.731 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 729455199 VIKXEQKMYLWYRU-UHFFFAOYSA-N 430.533 0.672 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 731494328 XSNNEBBQZWMEOY-UHFFFAOYSA-N 434.474 0.254 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1 732261650 FGDFUXIUCXYEAP-IYBDPMFKSA-N 432.587 0.475 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCCN2C(=O)CCC2=O)CC1 734825319 ASGIRTUXGIDLIM-UHFFFAOYSA-N 425.486 0.646 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 746102526 HZCDZPAGNNRZIC-SNVBAGLBSA-N 437.865 0.578 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)[C@H]1Cc2ccccc2O1)N1C(=O)c2ccccc2C1=O 746185541 KDZLKEGKSIZABK-NVXWUHKLSA-N 436.424 0.068 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)CCCc3ccccc3)CC2=O)c1 746210721 XTIRUMJFMAOVNQ-MRXNPFEDSA-N 444.513 0.857 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)C(N)=O 746257766 GRTFCFKUCSBGPH-KRWDZBQOSA-N 436.472 0.826 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCN(C)C2=O)c1 748663312 KLNXDAKMASOZMJ-HNNXBMFYSA-N 425.511 0.282 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 751301922 CDTMKBWDTMVEQG-UHFFFAOYSA-N 441.513 0.948 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 756513936 BGCPTGUDNBVCBX-UHFFFAOYSA-N 437.457 0.332 50 20 ICGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nccs1 758723080 KEXSVVBTJKEMOB-CYBMUJFWSA-N 439.567 0.904 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncc(F)cn1 762081102 UQZWVYBGTCVABM-ZDUSSCGKSA-N 429.861 0.946 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763806448 DDAKJFRCUHZWTN-UHFFFAOYSA-N 425.401 0.926 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763820226 JMJRHVXTEKZBIK-UHFFFAOYSA-N 434.474 0.922 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c1C 763878646 SFZDNIZTRPCJNX-HNNXBMFYSA-N 445.476 0.902 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)n1 763892639 GNIVLQLLSLNYEO-CALCHBBNSA-N 442.520 0.895 50 20 ICGD N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 764000011 YAFWBXJARSKAHX-CQSZACIVSA-N 442.453 0.871 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 764211340 KRCFZYBMCATYBT-UHFFFAOYSA-N 426.161 0.217 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)cc2)CC1 764230519 BARQWQILOVNZNH-UHFFFAOYSA-N 448.483 0.274 50 20 ICGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764267347 UAYTTYAUOYTLPG-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764268200 ZVMJYXREFOUONS-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764286857 OHLDJTDIQNOFCE-UHFFFAOYSA-N 430.417 0.960 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 764423860 DCSLVCLWLZVAPL-AWEZNQCLSA-N 447.835 0.489 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3nccn(C)c3=O)ccc21 764494719 PQLFULCRECGVDW-UHFFFAOYSA-N 428.453 0.194 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 765412900 AKQPHUPULQIYMD-UHFFFAOYSA-N 434.858 0.077 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnn2ncccc12 765423007 GHISBTJMISFLLS-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C)n3)CC2)cc1 765727163 FRJLZXOJFORRES-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)S1 766661689 YKHHAUSOFOPFJU-CQSZACIVSA-N 438.941 0.161 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 767270427 XRAJNAOLIRGZMO-IQGAEYHTSA-N 425.441 0.035 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NNC(=O)[C@H]3COCCO3)c2)c1 769935450 NCNMRJDNYJKDLE-GOSISDBHSA-N 445.428 0.838 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)CCCOC)CC2)cc1C 770253797 XBGVRUMSUZTDOW-UHFFFAOYSA-N 446.595 0.364 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 773724410 QGXYDZCQRDMNGY-OYKKKHCWSA-N 447.477 0.380 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1 776346189 FZWVDLGBIVSXDK-SJORKVTESA-N 438.550 0.264 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1cccc(S(C)(=O)=O)c1 776540893 DFEBGHLTJYVGAH-UHFFFAOYSA-N 442.519 0.206 50 20 ICGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004239 UXMJCYAIHSPQPO-UHFFFAOYSA-N 433.446 0.832 50 20 ICGD COc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cnc2c1cnn2C 784575876 AOEAHKHUCQFSSB-UHFFFAOYSA-N 438.853 0.353 50 20 ICGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 786414054 JGDWKDGDOURKQX-UHFFFAOYSA-N 448.501 0.526 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)cc1 790784021 JKAKRRSVWZPBBX-OAQYLSRUSA-N 436.516 0.848 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 790951496 GUZNEKQLTKZVPF-CQSZACIVSA-N 426.433 0.351 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nc4ccccn4n3)cc2)CC1 792392116 RYWSGEAIUCNIJG-UHFFFAOYSA-N 436.476 0.128 50 20 ICGD COCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCN(C(=O)OC(C)(C)C)CC1 793651036 UCNTXVFXVAMPJR-UHFFFAOYSA-N 435.481 0.831 50 20 ICGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 797010052 ZTSLNBIBICRESX-UHFFFAOYSA-N 442.201 0.427 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3ccccc3F)nc21 810382101 HSLDQMDAPHVUOL-UHFFFAOYSA-N 437.457 0.848 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)CC)c2ccccc2c1=O 816828452 GIGKSQJHAAHKHG-ZDUSSCGKSA-N 437.522 0.676 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 819659371 UZSLZLNJXWLNNF-HXPMCKFVSA-N 425.486 0.549 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 861779142 NOTVQHRCLUBIAP-GFCCVEGCSA-N 441.444 0.259 50 20 ICGD O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CC[C@@H](B(O)O)C1 864234705 UGYXOMXCTQDANK-CQSZACIVSA-N 432.263 0.948 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCCC1 914848832 CFXVGPUGAXIWEP-HNNXBMFYSA-N 431.536 0.106 50 20 ICGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916092752 DMRQPRCCOMKTHF-SJORKVTESA-N 425.507 0.213 50 20 ICGD O=C(O)COc1ccc(Br)cc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920384507 MEXUQEAGOIBMJK-NSHDSACASA-N 434.268 0.733 50 20 ICGD CN(CC(=O)N1CCOCC1)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 920432185 ORYYJBAIKFCVCG-UHFFFAOYSA-N 425.489 0.974 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 921301876 IPOCRGONASBZMD-UHFFFAOYSA-N 433.490 0.976 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1 1116149774 YNZKOKJCUPSJQZ-CQSZACIVSA-N 439.538 0.927 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1OC 1116476975 XKXZMFQVQIMKJS-IFXJQAMLSA-N 441.506 0.774 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)O1 1320045334 NFCZLQCTMLPMSR-LSDHHAIUSA-N 441.529 0.600 50 20 ICGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1321052440 CEVFTZZMRLIVJJ-NRFANRHFSA-N 436.509 0.702 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777731027 CVTFMIDPPKNCLQ-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1779036849 GSJNQKKDUWTTCU-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1782003933 YSJAWHNRZXLLNU-XTQGRXLLSA-N 427.299 0.681 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782692146 JBEXPQMVZFFEOV-AOMKIAJQSA-N 446.552 0.107 50 20 ICGD Cc1cccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1783502077 TXUGCNQKRWJDHC-MDZUNIRRSA-N 449.316 0.377 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1783873770 UMAORNBJYIMGHC-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086576 YRODUFBTRFAWHB-FSGKZVOOSA-N 435.952 0.623 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784911925 IDUBPHUDKDGMJJ-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD CCc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1Cl 1785704675 XOOGVUYTIAZIBK-IMIFBBOLSA-N 433.336 0.829 50 20 ICGD CS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1787837483 FFRYJLPQBYEVJW-UHFFFAOYSA-N 430.291 0.159 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1791056995 KFOYXIRMLMJVAA-RMIALFOJSA-N 441.282 0.552 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982619 KNSWMMWHGATRRH-NPJQDHAYSA-N 445.944 0.575 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1792988750 GENCJWKLOPUZSM-RVMXOQNASA-N 438.326 0.909 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714396 ZXWRJHZYFCUUEA-JRATXPSKSA-N 436.310 0.804 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1794404839 PNGNUMVYESKGKG-BAESOJJISA-N 433.889 0.364 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798759964 BDNRJPOENLTEOZ-OXIQGZBJSA-N 429.315 0.805 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1799278462 HUEDEJRGRONUIR-VNTRCMCTSA-N 425.309 0.428 50 20 ICGD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1801660928 IYJVBLXWDNEFQF-QDMKHBRRSA-N 432.433 0.908 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1802032018 BEVWYMPSSAAWRI-GZFHQYITSA-N 432.359 0.912 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)C1 1802262538 LHLHZBDBVKOEDI-MDMSPXHWSA-N 436.553 0.977 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)[nH]1 1803814511 ZZVGHXHIFZIIJS-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n(C)n1 1805646005 PUTFIXOWBUUBSE-DYESRHJHSA-N 441.536 0.816 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807045650 XOWYOHGMBIQTOF-KEYYUXOJSA-N 440.342 0.465 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807260124 LOAJDWQRLLMGQG-GOSISDBHSA-N 438.337 0.744 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364295 PRCYAXIIYDOZLL-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810234388 JRPIGBMLKXAKQX-SLBVQIDZSA-N 425.917 0.395 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C13CC(F)(C1)C3)CC2)c1cccc(B(O)O)c1 1815350552 XQINSKYAQZEZPH-LJLKPOLSSA-N 429.282 0.941 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC=CO3)sc2C1)c1ccc(B(O)O)cc1 1819729971 CNNLYIXGOCQMFC-ZBFHGGJFSA-N 427.291 0.741 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799348 AZEUURPDFYRAOF-JQWIXIFHSA-N 444.517 0.983 50 20 ICGD Cn1cccc1C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822866055 CXZZMJWEUDFLQO-KRWDZBQOSA-N 449.276 0.617 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1825717005 YYVPGDVUOHQLCR-GOSISDBHSA-N 425.298 0.042 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724619 ADJGJPRGOYUXGF-DENIHFKCSA-N 447.919 0.833 50 20 ICGD COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724726 AZQPXKAZEQGWHM-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833116930 OUTXLLXTRQQGFA-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278405 HFOAJPOEPDJHJT-SUMWQHHRSA-N 428.283 0.173 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834822491 QGVIQWUBVBXOOK-INIZCTEOSA-N 431.287 0.162 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875962 UERMVOSGEDEMAV-LBPRGKRZSA-N 428.335 0.028 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835035024 IDCAXYAMFQIGEL-WIYYLYMNSA-N 440.924 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccncn3)CC2)CC1 1835147042 YOZVUIZMMHQJCM-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD Cc1[nH]ccc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835216220 BVHCHEVRMXTBNH-UHFFFAOYSA-N 432.569 0.881 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839151092 IAHAPQPWNXYLFX-MSOLQXFVSA-N 448.303 0.392 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200438 KSTDYECHRGLCHL-YOEHRIQHSA-N 445.289 0.590 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839395535 VMLOLROOWOKNJY-GHTZIAJQSA-N 448.907 0.746 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649210 FBZFJPCFYUKFHV-FQEVSTJZSA-N 440.928 0.836 50 20 ICGD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840410464 GRUGANLQGFRWQF-GOEBONIOSA-N 447.261 0.002 50 20 ICGD O=C(c1csc2c1CCCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011074 MVMVKMBPEKSEOC-UHFFFAOYSA-N 426.303 0.884 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014272 SKPXTKSXLAHVRL-UHFFFAOYSA-N 429.669 0.311 50 20 ICGD O=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)c1ccc(Cl)cc1 1847545128 NKDDBDPWMRAPQC-ROUUACIJSA-N 426.665 0.718 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848055051 BAEDIFFJWIHQSW-OALUTQOASA-N 441.224 0.472 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 15639434 BYTPHZLDLPVMIE-OAHLLOKOSA-N 443.547 0.447 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)c2cc(S(N)(=O)=O)cn2C)N(C)c2ccccc21 28432436 XUGXPUZLIZAIRA-UHFFFAOYSA-N 429.458 0.720 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 725880079 WWQBMKRBJUKOFW-UHFFFAOYSA-N 425.536 0.645 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 725881614 ZQNSIRNAPNIEJF-UHFFFAOYSA-N 432.911 0.948 50 20 ICGD COCCCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 727031341 QQERUFZRAAZZMI-UHFFFAOYSA-N 441.554 0.382 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2cccnc2)c1 728851755 WCYPQRADVVYEDO-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 728853655 YDIMSBCWMGRWPB-CQSZACIVSA-N 428.426 0.619 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889736 ONBDWYSCSZNUNI-UHFFFAOYSA-N 436.469 0.665 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@@H]1COc2ccccc2O1 729283388 PHFAEIKAUPFQKS-GJYPPUQNSA-N 441.440 0.746 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)CCc2ccccc2O)c1 729965137 OLGAOADEWPEQFX-UHFFFAOYSA-N 436.442 0.908 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](CCSC)NS(=O)(=O)CC 730514878 NTKSGMYWJOOQCR-AWEZNQCLSA-N 441.579 0.807 50 20 ICGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1=O 732032547 DCEOSYBBEGCXAV-INIZCTEOSA-N 427.255 0.939 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2c1=O 732257695 YNHIAPUUMGAVLB-UHFFFAOYSA-N 445.439 0.776 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733122955 KGJNAFPOIYNBDC-UHFFFAOYSA-N 449.514 0.746 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(F)(F)Oc1ccccc1 741653268 XMAHJWNNOVDFDB-UHFFFAOYSA-N 426.357 0.198 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 742300812 QJPSTLPIBDFOLA-DZKIICNBSA-N 440.547 0.577 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 746746669 HALLLOXWFRSSFR-UHFFFAOYSA-N 441.492 0.852 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 747580237 GCQPJQZXWBQJKN-QGZVFWFLSA-N 440.508 0.250 50 20 ICGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 749153930 JUPUSEVZBXWIGA-UHFFFAOYSA-N 426.472 0.890 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(C(N)=O)o2)c1 753015612 GBLGBBSQWKJAFJ-UHFFFAOYSA-N 437.478 0.553 50 20 ICGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(F)cc1Br 753697347 NEWIDNURQPNVBK-SNVBAGLBSA-N 437.291 0.956 50 20 ICGD Cn1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(Br)c1=O 757677935 KKPXDGVVWMQKNN-UHFFFAOYSA-N 433.226 0.590 50 20 ICGD Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048153 PXFVELCKHIEPTR-JTQLQIEISA-N 444.311 0.642 50 20 ICGD CNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 761137348 GWORMZJAWWSIGD-UHFFFAOYSA-N 435.462 0.186 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cc(F)cc3c2OCOC3)c1 761535687 XUFHWRYOJYNRBW-UHFFFAOYSA-N 437.449 0.946 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)cc1OC 763543148 LXQKXNGRCZEMTP-UHFFFAOYSA-N 442.472 0.936 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1 763775838 VTGZYMPNJPFOKU-UHFFFAOYSA-N 436.515 0.887 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763821199 UNUOGHLNNXFQSW-CYBMUJFWSA-N 433.490 0.349 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccoc2)c1 764162563 DSSWVVURQQLVQF-INIZCTEOSA-N 442.428 0.847 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 764302708 FVTSYNWLYGHFKM-UHFFFAOYSA-N 430.417 0.688 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764367859 OQRFQEFVUVWGCD-UHFFFAOYSA-N 446.485 0.430 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 764428387 BQQRAOIVDOALFM-UHFFFAOYSA-N 426.433 0.880 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC 764480827 WFPRGKFUEVBHAJ-WMZOPIPTSA-N 433.553 0.423 50 20 ICGD Cc1ccc(-c2cncc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)cc1 765724499 JXUQQACRINCXAW-UHFFFAOYSA-N 447.455 0.265 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 765727201 GDIDRLKSTIFBCR-JENIJYKNSA-N 434.562 0.885 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1 768261295 SKDFRVXXDKGRHO-UHFFFAOYSA-N 425.854 0.457 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 769146997 NYVAJTQPMHBXKF-ZDUSSCGKSA-N 426.495 0.946 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2cccc(C)c2)C1=O 771219563 IVHAMQVCHPJPIZ-QFIPXVFZSA-N 440.456 0.997 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCOCC1 776635222 BOGFDEBODLZPPH-OAHLLOKOSA-N 426.495 0.221 50 20 ICGD CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 780173127 FGFVGXDOYGFQOR-AEFFLSMTSA-N 435.477 0.973 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c2ccccc2O1 784844950 UTWUMODSEZSSBY-INIZCTEOSA-N 432.458 0.073 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 784915600 DXULEKAIPDADCE-CHWSQXEVSA-N 441.510 0.116 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCc4ccccc4C3=O)CC2)cc1 788762356 QDNDNXWQVQAIRM-UHFFFAOYSA-N 449.555 0.959 50 20 ICGD CN(NS(=O)(=O)c1cnc(Cl)n1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788915843 FFDREEHGRVQZAT-UHFFFAOYSA-N 436.922 0.871 50 20 ICGD Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NNC(=O)CSc1ccccc1O 790042828 GHYDZHZSXFYFRE-UHFFFAOYSA-N 427.552 0.869 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 798314140 YTGWLZQQTATZOJ-ONGXEEELSA-N 444.819 0.357 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)c1O 799523950 SWDRGFAFCYSWAY-UHFFFAOYSA-N 444.263 0.886 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1Cl 802072120 KUTDLKBTMLIVDC-NSHDSACASA-N 427.889 0.920 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)nn1-c1ccc(F)cc1F 808937554 GVULHNLNDLTGGO-QGZVFWFLSA-N 427.433 0.595 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc2[nH]ccc12 808937891 HKKBMLCHHFPMMN-UHFFFAOYSA-N 443.441 0.532 50 20 ICGD C=CCC(F)(F)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814784711 RGWDKPLZMSQSOA-UHFFFAOYSA-N 431.461 0.999 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 815691617 VZAJYBGDLIATKG-LLVKDONJSA-N 429.437 0.889 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 915775515 FGEWOSJSXBIGID-UHFFFAOYSA-N 433.465 0.864 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1cc(Br)c[nH]1 916295569 OGBIMEQZEKXQOQ-UHFFFAOYSA-N 430.284 0.700 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(c3cccnn3)CC2)c1 1116782176 IWNUPDGUTZDUAF-UHFFFAOYSA-N 447.521 0.340 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)cc1 1319934437 GSCTWWCAMRZZOQ-UHFFFAOYSA-N 434.396 0.949 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1342990347 VIMPOUVGGZYJCK-LBPRGKRZSA-N 428.536 0.264 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCO2)C1 1779034303 QTCZJNGPRNOKRN-BMCPXHGSSA-N 441.532 0.955 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1780699456 FRCRPLWCYSRTDJ-LUXYFRNMSA-N 437.990 0.846 50 20 ICGD O=C1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CN1 1780770211 IISWIXRYXAFLHM-HSTIPLNKSA-N 434.306 0.717 50 20 ICGD CC(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969697 IQFHIZZYJSCZMU-QFIPXVFZSA-N 431.537 0.819 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1781997182 JDSXFCINDLPVRN-OGHNNQOOSA-N 432.315 0.736 50 20 ICGD O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786560073 ISKJISYKHJTUEQ-BVSLBCMMSA-N 432.285 0.011 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788532733 RPUJWCCXDMWMQS-YFKTTZPYSA-N 430.807 0.325 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3c[nH]c(=O)cn3)cc2)CCC1)c1cccc(B(O)O)c1 1790099376 DGLRJBOKDCIKSK-UHFFFAOYSA-N 432.245 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1791293806 JZXDLKGZIRLHFB-IEZWGBDMSA-N 445.495 0.664 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCCSC1 1792198918 PTUQKAXDHUXXHN-CAMMJAKZSA-N 432.351 0.103 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887204 NCDFBIVVMRGUTR-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1)[C@@H](F)Br 1794090401 UQEKEVNWAGCGRU-GFQSEFKGSA-N 440.335 0.046 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734125 DFFKBDCIYGISNC-LAVAIGHBSA-N 437.305 0.070 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@H]1Cc2ccccc2CN1 1796373654 VSHNXKHRBBUGOI-ZHCJQAHYSA-N 440.313 0.981 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799150279 UTGXPKRSHTUBBD-ZTSFJHDFSA-N 446.317 0.668 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389773 DRDQTYQRYMHVQQ-QNSTZXKLSA-N 437.356 0.184 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccn1 1801381205 AZQHETRQMDJMCM-OBJZOTCMSA-N 441.492 0.168 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1 1803652067 DWQFWVBAHWFYSW-POEPRGHXSA-N 437.280 0.973 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363088 APHJTFHCXCIFFD-OZOXKJRCSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnccc1F 1807825587 PFPBLYKJNGQQBU-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808277343 CSSDWHSKWAPFNH-LNLFQRSKSA-N 426.945 0.391 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc4cn[nH]c4cn3)CC2)C1 1809972427 OYYRUOIROGIRNM-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1810298688 LPAOYIXUXUAIED-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1810301639 BCLMMDQYGXOBCB-BEFAXECRSA-N 446.471 0.504 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)Br)[C@H]1c1cccnc1)C(=O)O 1812863130 DBMMPQNOOGKOEY-XKVFNRALSA-N 441.326 0.934 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812909224 WIKDVXDUMGXMDQ-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815360922 RIASZRZIAVMKRX-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361445 FJIORUDOWKOSPN-UKRRQHHQSA-N 449.363 0.163 50 20 ICGD CC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276154 NFKOBTDARBCPHC-BDEYIILESA-N 432.506 0.960 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](Cl)COC)CC2 1819473092 PESGAZPQKOYJTM-TVLCNXBWSA-N 434.902 0.373 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822411989 GYLJHISJKFQTIH-BLIJAFNYSA-N 445.524 0.633 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)c1cccc(B(O)O)c1 1826351561 JRCGZRIRZZTSNI-NRAUKZCXSA-N 443.334 0.600 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cccn1 1826855852 WCGMQYMFOWEREV-IUODEOHRSA-N 439.306 0.506 50 20 ICGD COC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925363 JBVIOVQLDFWBIA-KRWDZBQOSA-N 446.508 0.274 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1829762433 KEKCUZZDXXOLIB-PRPIBZDOSA-N 427.929 0.566 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833214105 AOQKIGNZZMBGIC-INIZCTEOSA-N 429.993 0.416 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833214128 DHZBNVYCCDOVCW-MRXNPFEDSA-N 429.993 0.416 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1=CCCS1 1833507905 HIXGCCYKUUEZHA-UHFFFAOYSA-N 443.378 0.572 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccco1 1834104335 LJDKBRDFDJSNTH-UHFFFAOYSA-N 425.294 0.458 50 20 ICGD COCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835234795 DTICIUQVGNFHBO-MRXNPFEDSA-N 428.917 0.606 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324478 TXPRMWLCIPWUIP-ORAYPTAESA-N 439.900 0.053 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839200803 QHJGFJJWANSHGP-RHSMWYFYSA-N 448.289 0.922 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030646 RHLSBSJBOSHZDZ-KZULUSFZSA-N 443.342 0.890 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840032091 NQIAVNBPTLMCLY-MEBBXXQBSA-N 433.328 0.579 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840037208 WQEYLKAXBWJREK-ACJLOTCBSA-N 442.310 0.448 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840156521 UIIYZXWTBVKBRQ-AVYPCKFXSA-N 440.928 0.225 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842059798 JBMILFPXMAGFNL-QWRGUYRKSA-N 439.310 0.980 50 20 ICGD C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)n1 1842296960 BRDFCVWGQMGLLI-UHFFFAOYSA-N 435.289 0.716 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(OC)c1 1844872485 PHGMPTKDDLTQOJ-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)COc1ccccc1F 16225219 BYHVARXZPAKBGT-UHFFFAOYSA-N 440.453 0.025 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 725740287 CZYXTUCJDNDYBB-UHFFFAOYSA-N 443.441 0.088 50 20 ICGD C[C@H](NC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 727269928 CHEXQRHDMFGPFJ-AWEZNQCLSA-N 440.591 0.934 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)CC3CCCC3)cc2)CC1 728214099 JLEXTYJDOLPAST-UHFFFAOYSA-N 437.566 0.762 50 20 ICGD Cc1sc2ncn(CC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c(=O)c2c1C 728844672 ANMLOSDLDHUJBC-UHFFFAOYSA-N 441.517 0.929 50 20 ICGD O=C(NC[C@@H](O)COc1cccc(F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 728961835 RQAFLWPAVZTAKK-MRXNPFEDSA-N 432.456 0.602 50 20 ICGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 729455570 LZSNZNSDDFSKEC-UHFFFAOYSA-N 444.429 0.452 50 20 ICGD CCc1[nH]nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1[N+](=O)[O-] 731810002 WFIPZCTWZAWBPP-UHFFFAOYSA-N 437.482 0.573 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 732050059 KITQHFFDBPKODV-AWEZNQCLSA-N 427.373 0.890 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2CC(=O)Nc3ccccc32)cc1OC 733612678 XAMPFSCHIHPBPJ-UHFFFAOYSA-N 442.428 0.467 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 734685786 HMPPUGCDJNWZNZ-ROUUACIJSA-N 449.552 0.590 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 735631324 YWXNJGUWCKLHRP-LJQANCHMSA-N 438.440 0.313 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)c1 742451879 KVTGIQQOFFEGSF-UHFFFAOYSA-N 432.458 0.614 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CSc2ccc(S(N)(=O)=O)cc2)c1 744892477 OLPDHUSZHGCZJF-UHFFFAOYSA-N 448.482 0.302 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCn2cnnc2CC)c2ccccc2c1=O 745912361 SDHPMDACDJAUJC-UHFFFAOYSA-N 426.481 0.995 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CCc2ccco2)cc1[C@]1(C)NC(=O)NC1=O 748213913 OAGKCWWANWTSBT-SFHVURJKSA-N 436.446 0.285 50 20 ICGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)C(=O)N1CCCC1 748247068 KHNCGJFBIPSVKS-UHFFFAOYSA-N 435.506 0.055 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)N1CCCC1 748247898 ZKGZHNFLPVSFFM-UHFFFAOYSA-N 428.898 0.508 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1 753948576 OGJXIMGGIGELEK-GJZGRUSLSA-N 428.511 0.140 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c(C3CC3)nc3sccn23)n(C)c1=O 755786690 BLNBGJINFAQUPO-UHFFFAOYSA-N 426.462 0.171 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)CC1 755954586 CUIOOZJTGSUXSE-AWEZNQCLSA-N 444.510 0.492 50 20 ICGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 756392424 OXVVLBGUNISQGM-MRXNPFEDSA-N 427.417 0.285 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 756804464 ZXSVVDADAWCRJO-UHFFFAOYSA-N 438.466 0.917 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 757674976 ZGFOHFHOMGRCQJ-UHFFFAOYSA-N 446.441 0.980 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=C[C@H]1C[C@@H]1C)c(=O)n2Cc1ccccc1 758364723 IBNBVUUGIIIMAD-DOTOQJQBSA-N 438.488 0.812 50 20 ICGD COc1ccc([C@@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CCC(=O)N2C)cc1 758827156 IDPZWIFDHPWBHN-CRAIPNDOSA-N 425.445 0.786 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCC2CCN(C)CC2)cc1 760466867 XLYHCYGGZHYWAE-UHFFFAOYSA-N 427.596 0.453 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763429831 ASHPMDINYZPXOU-UHFFFAOYSA-N 428.486 0.676 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N(C)C 763445443 HPPDJGSCOHXMLE-UHFFFAOYSA-N 449.445 0.553 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 763506827 JOHXDLVJAODGBN-CQSZACIVSA-N 448.524 1.000 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572101 PUDOBDMOCPZWDJ-UGSOOPFHSA-N 441.440 0.964 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)oc2C)c2ccccc2O1 763587054 STJKDDRYMDBJKX-QGZVFWFLSA-N 428.445 0.978 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 763649901 LSQGQZMXQQKLIP-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD N#CCCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)n1 763694057 HEAYHPMHUWNEEN-UHFFFAOYSA-N 435.238 0.724 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 764002247 KQWRBEQOUVUSLW-UHFFFAOYSA-N 433.226 0.163 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)ccc1Cl 764232611 RQELKXZJVXLZDB-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 764343575 SOSYGNOKSSUSRR-UHFFFAOYSA-N 425.405 0.182 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c2ccccc12 764360389 VTIICBDBORHRMJ-UHFFFAOYSA-N 425.401 0.525 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1S(N)(=O)=O 764379381 CXFCKRDNQWFHEA-UHFFFAOYSA-N 442.400 0.400 50 20 ICGD O=C1COc2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)ccc2N1 764386935 FNHRJBXLRKBXRU-UHFFFAOYSA-N 438.375 0.946 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764400963 RSUQFTBQDMZOEN-LLVKDONJSA-N 426.857 0.604 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)c1 765242595 FUKCCIMYZCDWGD-UHFFFAOYSA-N 448.255 0.852 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n[nH]2)c1 768269318 KUNHKQUVQDCSAA-UHFFFAOYSA-N 440.485 0.952 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)n[nH]1 768281904 SKLLYTNKCRKOFR-UHFFFAOYSA-N 433.490 0.438 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1 769463847 FGCLFCMBLGUSQC-UHFFFAOYSA-N 440.460 0.526 50 20 ICGD O=C1COc2ccc(S(=O)(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2N1 771607625 OPCGGRDNNDDLNF-UHFFFAOYSA-N 438.849 0.297 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(Cl)Cl)CC2)cc1 777420566 UWNZWAVSGOGHEO-UHFFFAOYSA-N 437.349 0.643 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 780830315 YTOSPCMHLPYGHX-UHFFFAOYSA-N 436.490 0.912 50 20 ICGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 784001897 FZPLZYJDYHIYAA-UHFFFAOYSA-N 441.444 0.485 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1C(=O)N1CCCC1 784004451 NOROGYOPWCHHKS-UHFFFAOYSA-N 441.444 0.340 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784217751 XQXBPEQDMHNYPR-UHFFFAOYSA-N 431.474 0.569 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)n1 784845767 AFCUYWPAFOXQOZ-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD O=C(NCc1nc(-c2cccc(Br)c2)no1)NNC(=O)C(=O)N1CCCC1 790898576 YFQMIPGFGWFOAJ-UHFFFAOYSA-N 437.254 0.952 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 794489168 XMUITAJSHPKSAC-ZIAGYGMSSA-N 430.527 0.286 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(OC)nc2)c1 795275675 GUHGSFMWHPGXAF-UHFFFAOYSA-N 442.519 0.744 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)=NO1 798835805 SXLYZYFKRACHBO-ZDUSSCGKSA-N 430.425 0.093 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 802120789 ZTPIPSBHLNMTCW-GOSISDBHSA-N 432.525 0.619 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 804958038 ZRPZUMPJGJFILM-AWEZNQCLSA-N 446.493 0.811 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C 810386340 VMLGKSJNFCVORP-UHFFFAOYSA-N 448.363 0.994 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 811103583 LDEQOXHTFHQGAB-UHFFFAOYSA-N 427.504 0.829 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nn(C)cc1Br 814365224 CGDHBDZCOLWPQK-UHFFFAOYSA-N 429.300 0.859 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cc(CO)ccc3O)CC2)cc1 814876751 CAOAXQGUXCRVSA-UHFFFAOYSA-N 446.529 0.650 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 815692679 YGWJWTPMRIDGNX-HNNXBMFYSA-N 448.487 0.765 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 914459177 JFBBXNGMOJWJOY-INIZCTEOSA-N 435.433 0.891 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccccc2OC(F)F)c1 915076870 LTGGGDGRQCJXNC-UHFFFAOYSA-N 441.412 0.883 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NNc1ccc(-n2cccn2)nn1 916295080 HSNLVOWPKGHLJR-UHFFFAOYSA-N 436.885 0.920 50 20 ICGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(F)(F)F 1251628506 CBHSVCYOURKQOV-KRWDZBQOSA-N 441.414 0.414 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1F 1338915628 NCDQOVRKPRBMTC-LBPRGKRZSA-N 428.421 0.044 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1779028254 ALELKWQXOULQPR-YJYMSZOUSA-N 437.447 0.564 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(F)CCC1)C2 1779375443 ODQSDTIEUVCVMW-OXQOHEQNSA-N 433.484 0.705 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781230074 MOWLZGMDPZPBLO-QZTJIDSGSA-N 444.319 0.365 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C1CCSCC1 1783292388 VVZFWTODANABLB-DENIHFKCSA-N 446.378 0.637 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccc(OC)cc3)[C@H]2C1 1783769940 QRLPZINBEHOGAR-XFUTXVRSSA-N 440.924 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cc[nH]c3c1)CCO2 1783935484 URASOCMENHKNJI-QFIPXVFZSA-N 427.505 0.984 50 20 ICGD CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786970078 RXMYCVUTOQOUGE-GUXQRHPKSA-N 432.525 0.098 50 20 ICGD Cn1nncc1C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1786982410 ZTHOIOAAHYYNPZ-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787398397 YUMPDWGGHFPEQH-QXALJWCJSA-N 449.346 0.683 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790643774 VYXUUIMFZSDURT-LXFSFDBISA-N 428.331 0.992 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790901152 SYSLYKHRPQYQGS-KBBJJIJMSA-N 440.349 0.786 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1791058059 XQARCGIIFQZNBC-VFTHGPRRSA-N 439.354 0.715 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791344438 HVULXEZOHMOXDR-QTVXIADOSA-N 430.343 0.523 50 20 ICGD CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)n[nH]1 1792870404 NMFQUDGBGIVVRR-BTABJRDXSA-N 427.299 0.847 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793355844 RTRDGZPXJFKBLP-YGADERNFSA-N 431.493 0.301 50 20 ICGD COc1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)ccn1 1794165533 JABXLIORSJQDGQ-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(O)nc(Cl)c1 1796190848 SIISVBHTFLRWHT-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)CC1 1800362720 HLCZIFXYMIWMQL-FQUUOJAGSA-N 431.327 0.950 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@H]1c1ccccc1 1800924788 ZQLCANQFHPZCPL-PLSULTGPSA-N 434.301 0.373 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C(Cl)Cl 1801015413 LUTXMNIBJROVIM-KVSKUHBBSA-N 425.162 0.735 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804499814 FOASPPCGCNMJTQ-KNQAVFIVSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360822 DBJODOVUOUTKMU-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1807362543 LDXJQIHXRYNLKE-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1nc(C(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)c(=O)[nH]c1C 1807464450 AZWFDDPJAQHXLE-UHFFFAOYSA-N 446.552 0.605 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cn4ncccc4n3)CC2)C1 1809978929 YJRWGGXRTREHDM-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1813067795 DODOMHFSEQLJIW-MPGHIAIKSA-N 425.917 0.060 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H]1c1cccnc1 1813068578 OFWDOWLRMOGUAH-DXIQSLLYSA-N 444.580 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1813069796 CRMVSFWIQLBWJO-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(N)s2)[C@@H]1c1cccnc1 1813071135 NTVBFNRLFBIRJD-KBXCAEBGSA-N 445.549 0.813 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814848125 OPOUPBNXCDMNIY-FABXCBLPSA-N 430.339 0.422 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814848126 OPOUPBNXCDMNIY-KHIZAZIESA-N 430.339 0.422 50 20 ICGD Cc1nc(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)o1 1815344011 BJCATTMYXJGENM-CQSZACIVSA-N 440.290 0.967 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CC2)c1ccc(B(O)O)cc1 1815348452 PBKKUAASXDBBHR-DLTLXFJOSA-N 441.343 0.924 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)c1ccc(B(O)O)cc1 1817472100 IDCJANZFPMGMSE-AWEZNQCLSA-N 425.210 0.403 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)COC)n[nH]1 1822369996 JXWPQDUTQPMREN-IFUGULHKSA-N 431.877 0.720 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822859395 CDUGKSNYKFODPQ-PWJLMRLQSA-N 448.332 0.843 50 20 ICGD CN(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826712096 ODIJAGYUXLQTKV-IBGZPJMESA-N 430.553 0.870 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050803 GNEXDPRKDCMHIP-KRWDZBQOSA-N 432.355 0.226 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1830180389 VCWSHKQMMHSJCS-IFMALSPDSA-N 441.381 0.942 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)CCO2 1830413712 IYFOSTZIAVBRCN-LXGFNABISA-N 440.899 0.985 50 20 ICGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830726674 SOCBLFNWIGICOF-YLJYHZDGSA-N 431.961 0.163 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738140 MVQQQWPUQVEGKU-KBXCAEBGSA-N 436.814 0.774 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1831952656 KBXFHEAKHOGMNB-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1)[C@H](O)CCl 1833310239 MOFKCDQFUYKMRW-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nccc4nc[nH]c34)CC2)CC1)[C@H](O)CCl 1833310878 XIBGXBOXCZQJNL-MRXNPFEDSA-N 434.928 0.743 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312343 LYHNXMSMWXLXKD-YOEHRIQHSA-N 438.960 0.448 50 20 ICGD Cc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833583686 GEOHQNZHYJMKAX-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD O=C(c1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834588376 NJFGWOJTDICHDY-CZUORRHYSA-N 432.246 0.548 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CC1)CCO2 1834622281 BKLHQRGDRSGWQZ-VQYZLWMVSA-N 431.493 0.377 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1834819409 OAXVIDAZBGRFHX-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835708311 XAKOLVJBDVFSMF-DHSIGJKJSA-N 441.326 0.321 50 20 ICGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837561 MRZKQRVUTJRZML-UHFFFAOYSA-N 426.634 0.936 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835901860 WZGMJYJKFZIXGO-ZWOKBUDYSA-N 433.977 0.719 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836395564 ISXXYNMZGGQVQW-HNNXBMFYSA-N 449.943 0.620 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)CN1 1836413985 SPUINOPDJLQHRO-NHYWBVRUSA-N 433.322 0.385 50 20 ICGD O=C(c1cncnc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837505483 VMHGHUNTBBARHZ-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837713305 VEJYFOWTBKDJBH-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1 1837920432 YCGAFVZNGOPOFJ-GOSISDBHSA-N 436.264 0.634 50 20 ICGD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1838789735 WHOUDYPZZJICPW-UHFFFAOYSA-N 449.552 0.897 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840029558 JIIUKVMOTAPKIO-KDOFPFPSSA-N 432.359 0.568 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840036486 LAPCLELXBDTBGL-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1840151684 KYSAORPLTXXOMO-WIYYLYMNSA-N 440.924 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1840153973 GYGCGEJYLHNAPV-FXAWDEMLSA-N 427.929 0.966 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](Cl)COC)CCO3)C2)CC1 1840155916 JVRVTIYANCZLBW-RDTXWAMCSA-N 432.901 0.040 50 20 ICGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840187595 MLQZOBUPSURGOJ-KRWDZBQOSA-N 435.308 0.403 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840389064 ZUMTUPBNYKMHHA-XLIONFOSSA-N 442.944 0.682 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@](C)(O)C(F)(F)F)C1 1841801605 FWQIVGOMWHBNTM-IMQYADFFSA-N 429.399 0.637 50 20 ICGD COc1cccc(OC)c1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264748 CPMPQBLSWQKQIU-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1845169455 LBOSEDWTJFQTII-HNNXBMFYSA-N 426.366 0.157 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2c1 1845581502 XHOVCPHZHTYTLF-UHFFFAOYSA-N 429.245 0.245 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1848099404 KPDATAWAQYLFCX-AVGNSLFASA-N 427.893 0.007 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 25261533 HJPUNYIXFAYKSK-OAHLLOKOSA-N 432.502 0.581 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 27403499 TVQNHYAUVBYLNN-UHFFFAOYSA-N 448.501 0.479 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 109066734 WRPDUDQXYVWBCB-HNNXBMFYSA-N 438.550 0.983 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 111206412 OVKXXVYCAJPUJS-UHFFFAOYSA-N 445.457 0.728 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 726088041 APYDTANLTYIGFY-UHFFFAOYSA-N 431.424 0.784 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1n[nH]cc1Br 738451325 ZVXSHMNWDDDSOX-UHFFFAOYSA-N 444.315 0.918 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742034913 ZRGFOXLHWZVPGE-NSHDSACASA-N 439.494 0.182 50 20 ICGD Cc1cccc2c(=O)n(CCC(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cnc12 744529905 ZIIRTFLXBMLLEQ-UHFFFAOYSA-N 433.424 0.971 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 745861614 CVNQKVPPCZXYQA-HNNXBMFYSA-N 437.541 0.930 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)Cc1ccncc1 747428452 BMDQYJQOWTYQBV-UHFFFAOYSA-N 433.309 0.574 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 748633240 RJDJGZWMSMLOAY-OAHLLOKOSA-N 442.538 0.363 50 20 ICGD CN(CC(=O)NNc1nc2ccccc2c(=O)n1C)C1=NS(=O)(=O)c2ccccc21 752901937 HJNDIJAMQMHZBW-UHFFFAOYSA-N 426.458 0.458 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2cc(Br)ccc2O)cn1 756801786 NDAOQZDAEYSYHA-UHFFFAOYSA-N 425.243 0.906 50 20 ICGD NC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc12 758526288 BAPDNRLXMYFDQI-UHFFFAOYSA-N 443.323 0.567 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@@H]2c2ccccc2C)cc1OC 759924604 WUKXVCMZHCYDHY-FQEVSTJZSA-N 426.473 0.946 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)CC1=O 763566902 UAVYDHFLGAVOQL-ZDUSSCGKSA-N 446.485 0.746 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 763736058 MIYCQDJXUADAIN-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763737182 PCHBBCJFAOVMFZ-UHFFFAOYSA-N 434.474 0.410 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc(S(=O)(=O)N(C)C)c1C 763818286 FKMGJHCPPWLEPB-UHFFFAOYSA-N 433.490 0.140 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764003638 KRDFASZCTACXMR-UHFFFAOYSA-N 447.411 0.618 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 764275642 PIICBWCWJQVOKO-UHFFFAOYSA-N 430.808 0.791 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764545340 XJCCQGSAKAZWMV-OAHLLOKOSA-N 445.476 0.813 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 764818425 KXVYKAXLHMHIAK-UHFFFAOYSA-N 436.428 0.825 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 765112980 JPHBSSUAVSFQAH-LBPRGKRZSA-N 448.523 0.713 50 20 ICGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766639763 AIDSKPDAMHZDJG-GOSISDBHSA-N 429.521 0.383 50 20 ICGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643725 RRMLOSAQIBQMKI-MJGOQNOKSA-N 432.521 0.566 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767467619 SSEBSJGIIZDEPM-LBPRGKRZSA-N 431.486 0.855 50 20 ICGD CCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 768238519 BEUNKLHQIBOCJU-MRVPVSSYSA-N 438.289 0.913 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OCC(N)=O 768398545 MQBXBBGLOIBGMB-UHFFFAOYSA-N 427.417 0.379 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 770209922 WSYXUQHADAHCSF-UHFFFAOYSA-N 433.424 0.769 50 20 ICGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1CCCS1(=O)=O 773193212 GVKABQMJKITQFA-OAHLLOKOSA-N 431.898 0.704 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(C#N)c3)cn2)C[C@@H](C)O1 773686451 ZGBFUAHDNUVWJX-OKILXGFUSA-N 425.449 0.472 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2O)CC1 777765135 DTMRHICOGBZUJA-UHFFFAOYSA-N 428.511 0.552 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 778676068 UUUHIQVKOPDXIX-UHFFFAOYSA-N 443.473 0.106 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(OC)c2)c2ccccc2c1=O 782120627 KDCKZGTTYXDSKO-UHFFFAOYSA-N 427.392 0.964 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)nc1 783265877 ZHVKTIPPLKWJOE-UHFFFAOYSA-N 448.461 0.181 50 20 ICGD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H](C)O1 784000246 SBIXXFJPCUNALZ-HUUCEWRRSA-N 431.493 0.004 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784458828 GXOMEJASZZZIBR-HOTGVXAUSA-N 438.525 0.880 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Oc1ccncc1 787542265 IQKABNYHHRKOID-LBPRGKRZSA-N 435.462 0.206 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCc1c(C)nc2nc(N)nn2c1C 788811241 ARZFLMJFHXDQHK-UHFFFAOYSA-N 427.465 0.881 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)n(C)c1=O 788976234 WVCVDEGVAIRRHJ-UHFFFAOYSA-N 447.908 0.620 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNc3cc(Cl)nc(N)n3)c2)CC1 789059824 UEKUHRMESBEWHT-UHFFFAOYSA-N 440.917 0.797 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 790314683 FPRNZOCLGPZGHT-WMZOPIPTSA-N 431.470 0.279 50 20 ICGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)c1 790463742 XZBOYABACAXXLQ-HSZRJFAPSA-N 441.532 0.267 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1ccccc1 792813310 SBKIEQUIDNBMAM-UHFFFAOYSA-N 449.489 0.222 50 20 ICGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794072320 ULIXNKZFWXPGTH-UHFFFAOYSA-N 434.474 0.340 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)CNC(=O)c2cccnc2)C1 794519503 BQHMARXQYCOUPA-OAHLLOKOSA-N 446.508 0.677 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 808011533 XHFBJVVUNXMSPG-LTRYHMRKSA-N 435.481 0.697 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810385893 DGXQZONXDHNNLP-UHFFFAOYSA-N 435.400 0.556 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)n3)CC2)cc1 810593335 XZXMUTVCGVJKDS-UHFFFAOYSA-N 442.501 0.029 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C2=O 812729639 SEFBJARVGMUEJK-DJJJIMSYSA-N 437.522 0.881 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H]1CCCN1C(=O)OC(C)(C)C 814784377 CEDLGHATMFKBDN-GFCCVEGCSA-N 440.526 0.463 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 821135926 WGJSOARPDHNTRU-ZCFIWIBFSA-N 432.263 0.646 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc2ccccc21 913534532 VDZDKMBZMNWXMP-UHFFFAOYSA-N 426.458 0.113 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC 914913603 HQKZXSNVRMWAFY-UHFFFAOYSA-N 440.416 0.606 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1C 917728872 RZMYGBGHVCQWKX-UHFFFAOYSA-N 439.515 0.964 50 20 ICGD O=C1CCC(=O)N(c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)N1 1115989221 VENBRWGFKHUYPU-UHFFFAOYSA-N 437.460 0.312 50 20 ICGD COCCn1cc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1=O 1323816429 JBTSADXQRLXRCU-UHFFFAOYSA-N 442.520 0.860 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 1333092997 MHZUBLWEYCARRV-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD CC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095227 KWCNXZOTJOGBFF-JXFKEZNVSA-N 435.433 0.735 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781213612 RSOHTKFWPDATDC-SJKOYZFVSA-N 430.914 0.299 50 20 ICGD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1781253860 YBAZCGVSDBCHDY-FLQJBOFYSA-N 432.427 0.836 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1)n1cnnn1 1782001684 JHCAXBACJWLUCC-OQMKEHIESA-N 429.319 0.531 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](Cl)COC)C2)n1 1782172519 DPVUZJXGOANTJV-XAUMDUMWSA-N 442.944 0.911 50 20 ICGD COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCC1 1782809871 NJPXGPRYMPSMEB-DENIHFKCSA-N 444.337 0.453 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783499464 LRYRHEZAKOHKTN-DJDZNOHASA-N 447.919 0.980 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934054 VJWDFRSQSOWSHA-QFIPXVFZSA-N 431.537 0.610 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N(C)C)c1)CCO2 1783935964 YZMSEFDWQGDISE-QFIPXVFZSA-N 431.537 0.569 50 20 ICGD C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978639 GSYKMYJEKQVWRH-JBACZVJFSA-N 426.322 0.728 50 20 ICGD C[C@H]1CCc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)n[nH]c21 1787952408 BRBLZHAVKQLFPD-OTRWWLKZSA-N 446.552 0.426 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(F)c1 1789512310 PSUIUCAGOKCEEW-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1789871762 JBXOCXKRKXGFKL-GGOFEBJYSA-N 441.377 0.780 50 20 ICGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)c1ccccn1 1789922430 JQWARKBNZWNCHD-RCZQDCHWSA-N 429.290 0.752 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3cccn3C)[C@H]2C1 1791695700 ZPIJZKPTGONDMX-OSFYFWSMSA-N 426.311 0.971 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](O)CCl)CC2 1792983824 QFCZHRDLGRODQC-DAQZSUFXSA-N 436.936 0.989 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793665206 HEMAVXLIDHBUFE-FAXLKDOZSA-N 441.941 0.485 50 20 ICGD CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794884669 PCSFJHACTDAAGB-FJABVQHVSA-N 441.492 0.240 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2OCCC3)[C@@H]1c1cccnc1)[C@H](O)CCl 1803147009 FXKUHMVXNBNNGH-USXIJHARSA-N 433.896 0.980 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803402622 RFSNALDIBLXMRK-AZUAARDMSA-N 437.305 0.696 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804348153 FRHYEHULMSNLFX-HUJKARHJSA-N 449.316 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1805658672 JKTQJCKZXDBJLD-UZLBHIALSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116554 WNKFPXWZVKSTNY-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806123449 CZTJAEKMUJXJLP-UWJYYQICSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362544 VVSVKGAGDFQRSD-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366739 GNFBOPMTTWYGMG-VIXOANNKSA-N 445.288 0.518 50 20 ICGD N[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)c1ccccn1 1809790415 LSOOHWSEIHZKPF-HXUWFJFHSA-N 436.321 0.306 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1 1813071232 QVWMASAUYMWOHX-AVRDEDQJSA-N 439.520 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814586308 LNAUAJHGACTNAE-KGLIPLIRSA-N 444.001 0.946 50 20 ICGD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354962 JGYBRFSIJJJQHO-CQSZACIVSA-N 425.279 0.096 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716693 QPRQAXWAUGEFND-MWLCHTKSSA-N 444.286 0.728 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cnnn1 1822416814 QGORDLXDIJCFBG-GXTWGEPZSA-N 432.489 0.023 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1823833519 BMJXPYFBZHHBNQ-UYAOXDASSA-N 441.337 0.126 50 20 ICGD O=C(c1cnc(O)[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052236 GBLQCVWRWWVUJF-GOSISDBHSA-N 426.282 0.342 50 20 ICGD Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cnn1C 1827056181 PUMWTFRDUMRKFB-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827137696 DECKOLGWVODFFY-NRFANRHFSA-N 438.337 0.576 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829093079 DQODKRHICBCLKD-WMZOPIPTSA-N 435.569 0.670 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1830538443 FWJTYSAUBUMAIV-PBHICJAKSA-N 429.315 0.371 50 20 ICGD Cc1ccc(OCCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719226 AWJPABPDTVCXNA-GHTZIAJQSA-N 440.924 0.820 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730660 BVFKKEKEEUVDEW-PXNSSMCTSA-N 439.871 0.977 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1832206399 PCTVNYDNZACSIN-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833068998 ULEGQYNTEHBJPD-XLIONFOSSA-N 443.928 0.934 50 20 ICGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)co1 1834205377 NTLPWOMUUYFSEX-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834288483 VXJOMWQWHDQAIE-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835803662 MLXWZWWJJNVTJS-GOSISDBHSA-N 442.614 0.955 50 20 ICGD O=C(NCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccco1 1836716654 HMVLZLGVUVFIKM-INIZCTEOSA-N 441.912 0.608 50 20 ICGD COCC1(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1836857168 ZPQMIYHSURLKDM-UHFFFAOYSA-N 438.569 0.785 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837759689 QKNYJQZXZVHBPM-GOSISDBHSA-N 447.319 0.799 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838880865 OZGMLNBWXVHGDT-XOBRGWDASA-N 442.896 0.374 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839242818 LOQLMDDPGWYARX-VQIMIIECSA-N 428.917 0.279 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839273140 CECQYGZQKGNGSV-PBHICJAKSA-N 431.804 0.905 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1839962500 HSZOGUYAAAXZJK-RDTXWAMCSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840149506 RHIGAMHQWPKDNF-UGSOOPFHSA-N 433.839 0.684 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840493449 WMENCAJHYBYDNB-HBUWYVDXSA-N 443.342 0.992 50 20 ICGD COc1ccc(COCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012452 PYVQSOVXFNDABY-UHFFFAOYSA-N 438.289 0.409 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccc2c1OCCO2 1843295419 WLQGOBOZAGUGIA-UHFFFAOYSA-N 436.273 0.577 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCCCC1=O)C2 1843416811 DQPHNRIQWDIDNF-HZHRSRAPSA-N 428.493 0.336 50 20 ICGD O=C(NCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1846956314 IIVUNGOFRGONNL-UHFFFAOYSA-N 435.289 0.004 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cnc3n(c2=O)CCS3)c2ccccc2c1=O 16179274 ROEKXHWOXWOFGI-UHFFFAOYSA-N 426.458 0.544 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(C[S@](C)=O)c2)cc1 26772650 TXFSFIWWFBVJPX-MUUNZHRXSA-N 437.543 0.955 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 28778938 SUEYKHRVICJLLD-UHFFFAOYSA-N 446.532 0.760 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)cn2)CCO1 725874237 YGJFENAGKQDEFW-CYBMUJFWSA-N 432.506 0.629 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(F)c1 728854140 NEHLEMCALWPRJS-UHFFFAOYSA-N 436.469 0.800 50 20 ICGD COc1ccc(-c2nc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs2)cc1OC 729277278 XXLOBQXNUIDYPE-SNVBAGLBSA-N 442.519 0.455 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)NC1=O 729300397 NCZGDRNWTIRVKR-QMMMGPOBSA-N 438.849 0.782 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1 730066994 RENLWSGUEFJUQN-UHFFFAOYSA-N 437.474 0.887 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2c(=O)oc3ccccc32)c1 730127771 MAXVRYXMWKZPIB-UHFFFAOYSA-N 447.473 0.489 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 731498319 MAVZOPJCQAZPIO-UHFFFAOYSA-N 425.445 0.411 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)CC1 733194976 ZAVKGIPDLYQLCJ-MRXNPFEDSA-N 437.541 0.335 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 737766769 NMRYMQLNQOLYQB-UHFFFAOYSA-N 436.446 0.750 50 20 ICGD O=C(CN1CCN(CCNC(=O)c2ccccc2F)CC1)NNC(=O)c1ccccc1 738328643 IEWFIMKMVUARTL-UHFFFAOYSA-N 427.480 0.634 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 738467031 HGUWRBKWRMHFQY-UHFFFAOYSA-N 436.476 0.361 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 745649669 DFWIQZOWJPGAOM-UHFFFAOYSA-N 431.405 0.912 50 20 ICGD COC(C)(C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 745890110 PNIHNUNGMYBGJH-UHFFFAOYSA-N 442.538 0.396 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 749142683 QKLBWNVVTXYQHE-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 749772708 NIRTXJGMSVCWEX-MFKMUULPSA-N 449.327 0.581 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 753458036 UVLBAUIYLPMCRM-UHFFFAOYSA-N 442.885 0.685 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)N1CCOCC1 755412664 FTHWDYNZUIWLKC-UHFFFAOYSA-N 449.489 0.507 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NNC(=O)c1cccc(C#N)c1)CC2 756595596 UQNSRIYJISZZJU-UHFFFAOYSA-N 427.486 0.632 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)o1 756835630 PPCOVDJSEMNTHE-UHFFFAOYSA-N 447.496 0.643 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NN=c1cc[nH]cc1Cl 757418670 IDQFIVSFAPVSKN-OAHLLOKOSA-N 446.938 0.382 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757629093 PFTXDDILFRNQHJ-MRVPVSSYSA-N 432.252 0.918 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 758025044 IZNILGZPIOXGOS-GXTWGEPZSA-N 428.511 0.728 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758840788 YICKZYPZZMERDU-UHFFFAOYSA-N 435.462 0.397 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnn(C)c1Br 760159976 WMOOGJZEOYILFO-UHFFFAOYSA-N 429.300 0.859 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 763680525 GLBGYBRFVDCNPE-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764164332 OIKRMZPYOHTHGV-KRWDZBQOSA-N 426.429 0.291 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCCc2ccccc2)cc1 764225667 BYRKTTQVYWWMSR-HNNXBMFYSA-N 446.529 0.886 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c2ccccc2O1 764243111 MAQAETLHXXTJMA-GOSISDBHSA-N 436.424 0.756 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)n[nH]1 765587257 SCMIMLFPGOABAS-UHFFFAOYSA-N 430.284 0.610 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737130 WRLONHPVQGWQKR-UHFFFAOYSA-N 429.502 0.083 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 766919005 APCKZCPWRLOKNK-CQSZACIVSA-N 441.400 0.343 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1S(N)(=O)=O 767269408 RZWARACDZVJWJH-UHFFFAOYSA-N 435.458 0.198 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770773782 HDTSRXRMXQZSSR-JTQLQIEISA-N 437.428 0.892 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNc2ccc(Br)c(F)c2)n1 770815737 MQZDUEJSTBLMAH-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1F 772196677 NLUCVNQCQBSJNO-UHFFFAOYSA-N 428.829 0.204 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 777940204 YFOKBCPEYMTEFA-UHFFFAOYSA-N 440.475 0.031 50 20 ICGD COCc1noc(CN2CCN(C(=O)NNC(=O)c3c(C)nc4ccccn34)CC2)n1 780947672 ZWOWCCBHEHWCOG-UHFFFAOYSA-N 428.453 0.344 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1cccc(F)c1[N+](=O)[O-] 790589174 WGNYSIYGZAIYRF-UHFFFAOYSA-N 427.414 0.850 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3nc4ccccn4n3)cc2)CC1 792392140 SQQZSXYHHIKIQW-UHFFFAOYSA-N 436.476 0.589 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(C)n2)cc1OCC 794084360 RQPIEAJXRWTSPQ-UHFFFAOYSA-N 436.490 0.927 50 20 ICGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794598615 JNWMJBOSYVHZFM-UHFFFAOYSA-N 439.446 0.865 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1S(=O)(=O)N1CCOCC1 799380888 NXECUPXFAUQXGS-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 806978411 ABEZESCSRBVURA-UHFFFAOYSA-N 446.489 0.636 50 20 ICGD Cc1cc(CN2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)on1 807130659 KLBSSVTWMMAYTK-UHFFFAOYSA-N 435.510 0.448 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 811968786 NYHFJZFNFVFWBH-UHFFFAOYSA-N 429.458 0.869 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)cc1 813033216 JYHHLGLRIDONGI-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Br)s2)c1 817983101 YBNOQRGQWWSWPH-UHFFFAOYSA-N 440.322 0.781 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 912608223 LKVZAJQUPMIOCN-AFGWGNBWSA-N 427.457 0.807 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc2ccccc21 914748191 MICHNNWUDKOFGD-UHFFFAOYSA-N 447.473 0.191 50 20 ICGD Cc1n[nH]cc1CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916259831 NDRCIQBBKMNWEV-UHFFFAOYSA-N 436.542 0.308 50 20 ICGD COC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919690862 WVDUAFFCOBZIDW-UHFFFAOYSA-N 434.474 0.624 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 919790118 KFSLRKLLGIPRNR-UHFFFAOYSA-N 436.472 0.914 50 20 ICGD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883539 BJFWDFMKXMKGBG-BDAKNGLRSA-N 437.305 0.629 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2ccnc(N(C)C)n2)c1 1322014123 WKDOAAIRSROEDT-UHFFFAOYSA-N 429.300 0.970 50 20 ICGD CN1CCc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1777919537 WJOGZOLLXUAAMR-XMMPIXPASA-N 449.316 0.116 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1779032616 OOVYNGHPWIQAAS-QFIPXVFZSA-N 438.488 0.259 50 20 ICGD N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1780408154 IFDLMZRLHNCKKA-ZJSXRUAMSA-N 447.300 0.679 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1781858501 LSAHKFRIDZPMPC-KXBFYZLASA-N 445.589 0.511 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1783534690 NGQONXYPQZNXMF-DIFFPNOSSA-N 438.282 0.662 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1783877809 QGQLFTOVJFTKDH-YSSFQJQWSA-N 437.880 0.805 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783967507 VCHUETHOIIGCGB-YTFOTSKYSA-N 447.374 0.705 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784453593 CACABRVRRWSTKN-ZPFDUUQYSA-N 429.308 0.091 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643809 YRJAJTZPJVYDQH-OHTBPHCPSA-N 426.857 0.022 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3F)[C@H]2C1 1786514535 RKDFSPYHAIALKE-LNLFQRSKSA-N 434.512 0.721 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979906 ZFYXIWGIYZKAPF-NRDMVMEKSA-N 426.322 0.728 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1)c1ccc(B(O)O)cc1 1788144421 LDOVAYNTKVYOEU-UHFFFAOYSA-N 432.245 0.511 50 20 ICGD CC(=O)N(C)CCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145220 SUCBHUTWNTUHCH-UHFFFAOYSA-N 437.305 0.983 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788775990 YHQRTYQWDNRYRK-PYOGLGTISA-N 438.352 0.354 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)=O)C[C@@H]21 1789222239 JVKAALXLKGVDTC-OWQGQXMQSA-N 433.417 0.702 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1790964195 UBZFBYHYJUDJKM-PLGIXQIDSA-N 449.342 0.755 50 20 ICGD CCc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791291032 ICOULXDTXJYDLL-BPUTZDHNSA-N 437.566 0.672 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1 1791601259 XVZOTRJMBJLJNC-NRFANRHFSA-N 447.536 0.144 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(F)c(OC)c1F 1792979682 BCBUNXKKGLLSFI-DXCMXYRUSA-N 448.850 0.785 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1793452235 UBELVHJIQBMFDH-MHORFTMASA-N 426.989 0.764 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccnc2)c1)c1ccc(B(O)O)cc1 1794769815 RFPPLKXYFOJWLT-ACDBMABISA-N 445.288 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1)C2 1796441749 XUTOPJYJTHFJLS-HGQKDGAKSA-N 439.472 0.729 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)ccn1 1796531905 PIEQCPTUDPBWNU-LLJCUJCISA-N 438.488 0.727 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 1796889907 ZTLJDEIMCIYNJA-NTPMPSRCSA-N 428.493 0.285 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1798522265 MARUNAFIXNCUQQ-DRXBFXEBSA-N 444.404 0.155 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncnc1 1805787264 NTGKUWNJVBZSNG-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cnn1C 1805925349 VPNGJNSFLHDYLW-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340890 PPJCHJURDRMKSZ-WMLDXEAASA-N 437.342 0.712 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807360326 KJCMVSXRZUXMMV-XLIONFOSSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364487 ITDQNSHBQACCQU-KNQAVFIVSA-N 436.321 0.177 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371215 RDTALNSCMZMCSZ-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)s1 1810103336 DWLBIWSHVFULDU-UHFFFAOYSA-N 436.582 0.993 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813067785 DLVKACKWRHXKFH-FXAWDEMLSA-N 431.537 0.887 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814927367 ALNJWRIPNUICIT-IUCAKERBSA-N 429.344 0.678 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)c2ccccn2)[nH]n1 1822414493 VEEPCXHDVCBGEB-UZLBHIALSA-N 442.524 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1 1822414878 MPRCFHQVBNCWDU-AWEZNQCLSA-N 430.469 0.172 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCOC2=O)[nH]n1 1822415787 IMAKXSNZUUNYEC-HNNXBMFYSA-N 449.512 0.617 50 20 ICGD Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)c(=O)nc1O 1823365097 KYLRFTQSFJNMOG-OLZOCXBDSA-N 438.872 0.272 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825646492 CSETYAZBQRYKKT-JGVFFNPUSA-N 447.311 0.382 50 20 ICGD Cc1nc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)no1 1826080508 OQTWRHBYURWLMP-LLVKDONJSA-N 435.510 0.362 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829538431 HWROUEPXBOIAGE-IBGZPJMESA-N 438.293 0.409 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830760399 DQNKZCJKPCHPHE-CPUCHLNUSA-N 436.322 0.618 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1831654959 ZHGMCEAPUWHPJA-KXBFYZLASA-N 426.901 0.107 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccn(C)c2=O)CC1 1831871138 NYPKJSNPGBUJOG-IBGZPJMESA-N 445.564 0.992 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832116913 INDMNIFIIOTMIF-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1833262207 JQYUBPHZFUFBAP-CZUORRHYSA-N 443.386 0.868 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609143 IAEGTPKCIUQBFU-YVEFUNNKSA-N 429.267 0.493 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837028030 YELXZQJRAJOWQM-UTKZUKDTSA-N 448.907 0.954 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531785 WTMNFELOMUUVFQ-OCWSMVLXSA-N 431.917 0.989 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837676437 KBMZHLBSTLZVSL-UZLBHIALSA-N 443.617 0.599 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837847388 COSDEKMZISDXCV-KKSFZXQISA-N 445.369 0.352 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837860460 GOYBGVUOVMDGCK-UHFFFAOYSA-N 439.633 0.676 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837965715 DNXGRSNLLGGNDH-KRWDZBQOSA-N 431.283 0.627 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccnn3)CC2)CC1 1838454603 QGHFXMVRGWMSLK-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839153864 UAMLQZKAZZQNPF-IRXDYDNUSA-N 449.339 0.012 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200212 DMVYJTQYBGTBCY-RISCZKNCSA-N 437.291 0.607 50 20 ICGD Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C1)CCC2 1839583882 AXXORHUZNNPVJW-SFHVURJKSA-N 431.320 0.783 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1839966941 UVQFMKAIOANMEV-GRDNDAEWSA-N 444.330 0.469 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031322 MFCXGMNVUCFCEJ-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840153873 DJAKZSVDGMLCAZ-JXFKEZNVSA-N 425.913 0.827 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(OC)c1 1844264740 BYXFICSBEASSLO-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD CCOc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1O 1844265013 KSKWIONOGKIPDE-UHFFFAOYSA-N 439.472 0.920 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845492914 DUSZFPNGEAFFFB-UHFFFAOYSA-N 441.224 0.853 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399050 BPCUDZSBDGRSNB-BHGWPJFGSA-N 442.398 0.002 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 21186270 DSDQAMDFKFTWIC-UHFFFAOYSA-N 445.545 0.568 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)C(=O)NC1CC1 726620370 YPWLIHTXXDWWCX-UHFFFAOYSA-N 442.803 0.063 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(OC(F)F)c1 728545087 XIOCYCGHZQLQOD-NEPJUHHUSA-N 431.417 0.085 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 728977324 FKPOCOGKNSEYLW-FCIDVOKBSA-N 425.413 0.933 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730518778 BIRVGQAZDJLHQF-GFCCVEGCSA-N 444.275 0.870 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 730778066 BIGYBEDSBWKETD-UHFFFAOYSA-N 434.474 0.414 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 732339226 UKPYEUPXYICTKE-UHFFFAOYSA-N 449.441 0.935 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1=O 733131969 VXUPGSPGDIMDRJ-HZPDHXFCSA-N 436.534 0.184 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OC(F)F)c1 734093201 VDEUBZRDWDCYAG-UHFFFAOYSA-N 429.405 0.331 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)cc1Br 735427210 XRYBLQPFUWFFEC-VIFPVBQESA-N 445.270 0.970 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 740852137 MKKOGXOGBLOIFC-UHFFFAOYSA-N 430.421 0.515 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3nc(-c4ccccc4)no3)CC2=O)c1 746242214 ROUWWNBORULZLH-CYBMUJFWSA-N 442.457 0.880 50 20 ICGD C[C@H](O)c1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 749348451 OLJPTZUAOOEDGJ-HNNXBMFYSA-N 448.549 0.897 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 756516825 SOXYLFGJJZSWNJ-UHFFFAOYSA-N 430.439 0.343 50 20 ICGD CN1C(=O)CCc2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 758577328 DQYGYCPRCBOLBX-GOSISDBHSA-N 439.424 0.740 50 20 ICGD Cn1nc(Br)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 758785279 FMPMYSAPZAWZTH-GFCCVEGCSA-N 439.222 0.327 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)n1 760204153 XYMWTANUKVPVTM-UHFFFAOYSA-N 440.503 0.053 50 20 ICGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 764001640 BPTXVRBBPZXZQH-MRXNPFEDSA-N 436.534 0.439 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 764203190 OFVTYTYFCCYHPC-UHFFFAOYSA-N 439.900 0.680 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(N)(=O)=O)nc1 764270664 GVOQZBPLXUPTHW-UHFFFAOYSA-N 427.508 0.563 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)ccc1C 764362651 GRFJXFUXNCHLIL-UHFFFAOYSA-N 434.474 0.206 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 764396982 DIKUYRUWEKWNHH-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 767463994 ZKISMYUDIGZJTK-MRXNPFEDSA-N 437.928 0.524 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)OCC(=O)NNC(=O)c3ccccc3)nccc12 768623958 PQSYRBSPPHLSFU-UHFFFAOYSA-N 428.426 0.500 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccs1)C2=O 768705060 NLQSIYVKFMEUFK-LJQANCHMSA-N 436.490 0.943 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c(C)nn(C)c2-n2cccn2)cc1 778292870 NINXTLHTUGOPPZ-UHFFFAOYSA-N 445.505 0.304 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782833074 BWATYPQOGTZXQF-UHFFFAOYSA-N 434.474 0.822 50 20 ICGD COc1ccc(NC(=O)C(=O)NN=c2cc[nH]cc2)cc1S(=O)(=O)N1CCCCC1 783376379 NQQOZIGAODIABJ-UHFFFAOYSA-N 433.490 0.769 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 783998609 FCAIYLRVHPAQNN-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 784001962 GZNRQHZVMBTHTJ-OAHLLOKOSA-N 430.417 0.353 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1N1CCOCC1 785024380 YCYAAKDWXJYEPJ-UHFFFAOYSA-N 443.416 0.845 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 786724026 UGHKJLLVEVBIOT-NXEZZACHSA-N 443.931 0.001 50 20 ICGD CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cccc21 789732982 WERDDUXXYAFNIS-YJBOKZPZSA-N 440.456 0.998 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1ncc[nH]1)c(=O)n2Cc1ccccc1 790150194 IQAVOULNPDMHKZ-UHFFFAOYSA-N 434.460 0.691 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 792117585 TYTSPCZFBARIBS-UHFFFAOYSA-N 439.538 0.568 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCN(CC(F)(F)F)C3)cc2)CC1 792267418 KOIQPLYILPLDPU-AWEZNQCLSA-N 449.499 0.950 50 20 ICGD CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793042435 ODUCKBYACKYJJG-HUUCEWRRSA-N 426.495 0.599 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1OC 799174293 MHLUOIXJUUMIHM-UHFFFAOYSA-N 446.426 0.855 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 805067820 FTEVIDHXTRBUQC-KRWDZBQOSA-N 444.540 0.704 50 20 ICGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 809558285 XYIYKNZXNLQFAB-KRWDZBQOSA-N 444.513 0.985 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1 812729340 JTRMTIMEYSAQSE-UHFFFAOYSA-N 444.510 0.888 50 20 ICGD CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)CC1 815691761 ALLANPHAKAOJLW-OAHLLOKOSA-N 425.493 0.863 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 816828989 XFKLMSHWWSATIZ-WDEREUQCSA-N 449.327 0.279 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 884907824 UFMBLDLUDDAHGZ-IYBDPMFKSA-N 439.472 0.743 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1 912919919 UDZALGQAJNHLSH-KBPBESRZSA-N 446.957 0.655 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 915874506 JFPXJAXJNJVXKY-KRWDZBQOSA-N 425.507 0.816 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)c1 919712834 UFFCOJHFNAAJSU-UHFFFAOYSA-N 425.426 0.654 50 20 ICGD O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919886477 UFGJAIFJNYLHRN-QZTJIDSGSA-N 444.513 0.545 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c2ccccc2c1=O 1318580932 UVTABJHFWNKAQR-CQSZACIVSA-N 438.492 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851020 SWQLLJWDHOAFIB-IQUTYRLHSA-N 427.885 0.874 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778035261 DXZGESIGYSBAHV-HSZRJFAPSA-N 433.273 0.605 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780098436 ACAVUTCJRRAEPU-UGSOOPFHSA-N 426.311 0.860 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782188970 NRSYFAYDXNWFNL-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782206430 JLGCRGBADLYIGR-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676618 LEDGWXAXRKFZFQ-SJORKVTESA-N 433.292 0.627 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785808 UERCIRJGHUZQCH-IFXJQAMLSA-N 440.884 0.994 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783349936 WKQTXYZERILEHX-CXAGYDPISA-N 432.315 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]cc3c1)CCO2 1783933883 KTSXEUXHICLSHN-NRFANRHFSA-N 428.493 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccn3)C2)C1 1784278739 RHNJDPNBCAUGPF-QFIPXVFZSA-N 431.537 0.562 50 20 ICGD C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1785425045 XLUPUMPKCZHUCV-QHCPKHFHSA-N 441.532 0.576 50 20 ICGD Nc1ccccc1/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786905229 SFMKEOSVVZEHLC-AFRXPDRBSA-N 449.316 0.255 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4cc[nH]c34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979652 HQVZHVCXTWGQQJ-YYWHXJBOSA-N 447.300 0.755 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21 1788611735 WTPIQSOLZVASBT-PJODQICGSA-N 447.492 0.793 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccoc3Cl)[C@H]2C1 1789417416 OADQXMWMCWJHEF-UVBJJODRSA-N 447.879 0.839 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(=O)cn3)cc2)CCC1 1790102047 RFYZMTPVLMMWOZ-UHFFFAOYSA-N 447.455 0.830 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncsc4[nH]3)C[C@@H]21 1791291069 KQNLEALMIJTOCM-XEZPLFJOSA-N 448.549 0.591 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793107628 YBCAFIOPTKGUCC-XNNFIENISA-N 437.924 0.404 50 20 ICGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CO[Si](C)(C)C)C4)c(C)n2n1 1796926396 QQJKSDWOYXYCEA-CCWDJLKJSA-N 446.584 0.796 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797221060 KBFWSTUOFLTVKD-RBZJEDDUSA-N 445.944 0.433 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797851279 PATGNWMUSLOTBU-DWSNTNAQSA-N 432.521 0.954 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)C1 1798439642 RKVYZANRACXYAD-NPJQDHAYSA-N 443.504 0.526 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800158511 OFYJBIKVHUPNGF-ZUWCUPBKSA-N 437.262 0.810 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1800789499 DCUOTHVSMBEHBS-GYOFXQLCSA-N 443.504 0.278 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1800975543 QPODIDDSYNKEHS-NOHGZBONSA-N 439.925 0.731 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804320268 AFEHFTKSWXJJFO-FXAWDEMLSA-N 447.256 0.557 50 20 ICGD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805822686 SVJUFYSSRSEQIT-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805868476 NOINJRAGRKZJER-INIZCTEOSA-N 429.326 0.126 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807363043 NVESQUGSCHWNSL-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369894 YCFFFHJVBMHGGP-PXNSSMCTSA-N 447.256 0.557 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)C(=O)Nc1cccnc1 1810459569 RLTHJHCEPYILPS-USXIJHARSA-N 431.880 0.721 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1813032066 ULHTUJTWPJALJE-XEZPLFJOSA-N 435.868 0.856 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1813331091 UPMHLSVPVRUNAO-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)[C@@H](O)CCl 1814867094 DXVWRIONXIUHHJ-STQMWFEESA-N 425.833 0.806 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354819 SAMQNKNNFPTRKS-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)no1 1815868205 ASXFNUATRNAZNT-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)nn1C 1816426461 GKYINOWIJZFFTK-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817470402 ALLAUFKHBVFGOO-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(=O)c2cccn2C)n[nH]1 1822872464 GIECSEKMCYQGAB-OAHLLOKOSA-N 443.508 0.996 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824188163 ZXBWXHWTOSMXDU-KURKYZTESA-N 446.928 0.701 50 20 ICGD CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830546580 RGHUKQGQLSUPOD-YJBOKZPZSA-N 434.375 0.814 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1O 1830731796 MPTZSWBRISOCNB-BEFAXECRSA-N 428.869 0.071 50 20 ICGD N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1F 1830733809 UACVCWGREHTLNH-YLJYHZDGSA-N 439.871 0.296 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)on1 1834800983 FUNNYIUUAJWNOL-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1835837988 YFFWTGBYUSYRBV-UHFFFAOYSA-N 449.628 0.666 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cn1 1835990521 UEFLKGLWGBEIAO-FQEVSTJZSA-N 438.601 0.661 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839147780 CFMWYPGURYMWKH-PHSYYZNHSA-N 428.913 0.804 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839151765 CSTUHKCWWDTSCL-HOTGVXAUSA-N 441.381 0.696 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840034222 FBCGFHULLIBFJE-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848881 UDIMLGZLAQYPAQ-MKMNVTDBSA-N 443.410 0.627 50 20 ICGD COc1cnc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)cn1 1842551190 KQKQYWJQQBGXMZ-ZMOGYAJESA-N 425.449 0.436 50 20 ICGD O=C(CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)Nc1ccccc1 1843012989 XGKHMANGBVVHNL-UHFFFAOYSA-N 449.316 0.992 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014744 XLACEVLMZSUFKB-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843102485 SLLBTYMYVSUQIP-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1846360643 XBEYPAVULWQFJF-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD O=C(CS(=O)(=O)CCCc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728844976 BTKNVFPCLCPJQH-UHFFFAOYSA-N 445.545 0.888 50 20 ICGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 732307701 KNZGXFAGGOVDQZ-TZMCWYRMSA-N 446.323 0.599 50 20 ICGD O=C(NNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 733138664 HWDYSXWLJMMMOT-FDIDWWNZSA-N 443.485 0.370 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 734240726 XGHWFLWDPAYHMJ-UHFFFAOYSA-N 445.498 0.533 50 20 ICGD CCCC[C@H](COC)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 737060973 CLZMLSNADDTNHV-OAHLLOKOSA-N 428.559 0.849 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc(Br)c1 742768944 COULECYWGKWYBX-UHFFFAOYSA-N 445.281 0.959 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(Cl)c1 743825451 MLOMOGKIIGSNLD-NSHDSACASA-N 441.897 0.967 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 746299205 AOOJJJUGPMNRPL-LAJNKCICSA-N 444.492 0.938 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 746310034 LGZYNZSGIYWXQR-MRXNPFEDSA-N 427.396 0.060 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)Cc1cn2ccccc2n1 746549337 OVKMLJPSWDKREJ-UHFFFAOYSA-N 444.469 0.659 50 20 ICGD CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCO1 747490020 GJNKOHDCPAKPLG-ZDUSSCGKSA-N 441.510 0.377 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)c1 756769241 DFTQJFAOCQEZKB-UHFFFAOYSA-N 440.258 0.604 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 756856389 OYAPJKDYDWIIGW-YPMHNXCESA-N 429.499 0.324 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1C 757592252 GPRYOJHUEULDNY-UHFFFAOYSA-N 437.478 0.919 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 757797889 IKRRJSIJPCKZMG-ZDUSSCGKSA-N 446.551 0.598 50 20 ICGD Cc1ccc(C(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2)cc1 758047168 VXQGJIAOMBHYFY-MAUKXSAKSA-N 446.529 0.941 50 20 ICGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 760133842 XEVKDKZXBKWITA-IAGOWNOFSA-N 440.522 0.609 50 20 ICGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 760690051 QJWDLVPQMJZMFA-INIZCTEOSA-N 439.538 0.733 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nn(-c3ccccc3)c(C)cc2=O)n1 762697373 JRHCNLIUENUFDQ-UHFFFAOYSA-N 441.469 0.853 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 763570772 FYVPIAPPTSANSG-KRWDZBQOSA-N 442.403 0.878 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 763711713 ALENTVBCJZIGAM-GOSISDBHSA-N 440.456 0.315 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 763848486 CDIDUHFVSXMQPQ-GFCCVEGCSA-N 432.408 0.633 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cccc1-n1cnnn1 763949614 QGRBGZNWGSJGCA-UHFFFAOYSA-N 447.415 0.262 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)c1 763994959 KKNBLIYIWCBQTG-UHFFFAOYSA-N 447.253 0.850 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)n1 764035719 VYKXWDDNNICBDH-UHFFFAOYSA-N 443.507 0.013 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3OC)cc21 764136965 XFNZIQGSZYPUDZ-UHFFFAOYSA-N 437.456 0.725 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764368653 ZRVDSXLNOQKMAT-UHFFFAOYSA-N 437.449 0.673 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)cc1 764388175 BJAYCCYDERSCHP-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)NC3CCCCC3)CC2)cc1 765750112 ZWIRXFFSBYPJTC-UHFFFAOYSA-N 444.580 0.892 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 765752286 QITAPATXOYMZBW-HNNXBMFYSA-N 428.942 0.040 50 20 ICGD COc1cc(OC)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 765969821 BUVJWEXWIHMYMM-GOSISDBHSA-N 446.412 0.857 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 768243780 HTVNQRNUPQUALW-UHFFFAOYSA-N 435.458 0.791 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2cccs2)[nH]n1 768263265 OTKIKELCCWDWKS-ZDUSSCGKSA-N 432.506 0.080 50 20 ICGD COc1ccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c([N+](=O)[O-])c1 768329422 YQGYJPYBLNCNFB-UHFFFAOYSA-N 449.445 0.481 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 772196311 IWSMYAAXONRBFQ-AWEZNQCLSA-N 440.884 0.740 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773495405 AZNYJXLARLRLQL-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(I)cn1 773603093 LRATYDMPKZELIS-UHFFFAOYSA-N 426.170 0.792 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(C)CCCOC3)CC2)cc1 781346301 GZGRWEOIMNBSHL-HXUWFJFHSA-N 438.550 0.265 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1 784004574 YAFFSDIRIHYWHL-UHFFFAOYSA-N 430.421 0.589 50 20 ICGD CCc1ncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784231358 YGPJNFMYHWJTHQ-UHFFFAOYSA-N 447.521 0.057 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cnn1-c1cccc(C#N)c1 785991345 QKLZMUHHXIWDAJ-QGZVFWFLSA-N 426.433 0.198 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 789375853 WXJJCEHBIDNFRW-AWEZNQCLSA-N 444.941 0.610 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 796992444 RSVMYOLLZUCUIL-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD CN(c1ccccc1)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 797786347 RXRQODLRFOPWNN-UHFFFAOYSA-N 446.471 0.747 50 20 ICGD C#Cc1cncc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 807089859 AFHJYRSNCZWFNO-UHFFFAOYSA-N 441.513 0.139 50 20 ICGD COc1ccc(Br)c(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)c1 807970801 XFULAESMMJHZOU-UHFFFAOYSA-N 438.282 0.685 50 20 ICGD CN(C/C=C/C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)CC(F)(F)F 815827444 ZIWSSHOJXZNNOD-VMPITWQZSA-N 441.454 0.642 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)C1CCCC1 914844279 SKPXDNQXZQCOHT-UHFFFAOYSA-N 436.534 0.637 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCC1CC1)N(S(C)(=O)=O)CC2 916249457 PBEBVMWBNAWNAS-OAHLLOKOSA-N 440.522 0.693 50 20 ICGD CC(=NNC(=O)Cn1cnc2ccccc21)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916274371 PZSSPQNZDIGLTB-UHFFFAOYSA-N 429.458 0.940 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cc1OC 916640976 QSSGEFSUDMKXEX-UHFFFAOYSA-N 432.433 0.721 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 918004458 FZPLETQDOIQNLW-UHFFFAOYSA-N 433.446 0.956 50 20 ICGD C=CCCOCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920425220 TZZKTAPDHPPDGY-UHFFFAOYSA-N 425.507 0.380 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)c2ccccc2C)cc1C 920838400 PTVQVBKSTBTSKT-GOSISDBHSA-N 446.529 0.985 50 20 ICGD CC(C)NC(=S)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1115816221 LUXANYRUMMQNQM-UHFFFAOYSA-N 429.568 0.291 50 20 ICGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1 1248514642 AAEVFCGWBIXVNG-UHFFFAOYSA-N 434.293 0.720 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1318561918 GQPILPJBXAWMNX-UHFFFAOYSA-N 440.545 0.174 50 20 ICGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1)NC(=O)NCc1ccccc1 1780970266 SMRYXPOOKYQZMM-OAQYLSRUSA-N 428.493 0.076 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1781231719 QHMDQVUGDJVXJU-IRXDYDNUSA-N 430.292 0.255 50 20 ICGD C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783539748 FHGHBTVKPMJTQF-IHPCNDPISA-N 428.338 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1783935099 OVHMDZSRBTWTIH-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1791047293 LPTSVRGBXRIAPZ-YTFOTSKYSA-N 433.933 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]21 1791290996 GRMCCCUFACKJFC-IEZWGBDMSA-N 446.552 0.186 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3NC(=O)NC3=O)CCC2)cc1 1791599812 MJFMBUOQGLKIIN-OAHLLOKOSA-N 444.492 0.092 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccccn1 1791716462 CHLNTGCGDCBKSN-DWRORGKVSA-N 431.537 0.538 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(C)c1 1792095509 UUJHSIMOLQIHQW-OWLYRPNTSA-N 438.908 0.975 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1793371767 URYWSQGGTBJWRG-NJMOYASZSA-N 425.345 0.040 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436557 OYSSTVDOGMEEQY-MIFYACCESA-N 435.974 0.267 50 20 ICGD Cc1ccn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c2c1 1796705764 IIPXFDWUIUVTBC-REPLKXPHSA-N 432.289 0.888 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800575668 WMVRMUBQKLOGGX-PJALCMAUSA-N 426.322 0.396 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnccn1 1805429393 WWLZJCYSEBNPOJ-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363719 FKPVHMQOQQSKHW-QKNQBKEWSA-N 437.305 0.508 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376323 VFIOAPMJNNMSPG-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Nc1nc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cs1 1809860116 DDVCPMMHHJFIKV-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1 1810294469 LMFYNVHKHYKMJO-GKSFYBEXSA-N 438.488 0.171 50 20 ICGD O=C(CN1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335688 KKMBCYJNUPVREQ-OAHLLOKOSA-N 428.323 0.145 50 20 ICGD CC(C)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817442879 JEMFCKMAVLXCQR-GOSISDBHSA-N 427.314 0.784 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475872 XMQXJIFJSJYWCX-AEFFLSMTSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc2n(n1)CCC2 1819166633 HEXHVYDYJHFSPO-IBGZPJMESA-N 448.292 0.852 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)n1 1819402008 IKTYCPSBMIZNFV-CQSZACIVSA-N 438.452 0.156 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1ccnn1 1822416881 RXCDKUBUXOITBK-ZFWWWQNUSA-N 431.501 0.628 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cccn1 1826854913 JKMAVDKKURUKLR-WFASDCNBSA-N 439.306 0.506 50 20 ICGD COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cn1 1833309402 TZSUZXWJTSKVIG-MRXNPFEDSA-N 425.917 0.270 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1)[C@@H](O)CCl 1833309867 CBBGXTSJYPOXCW-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1833398460 CNJDDVAHNZIQJU-WMLDXEAASA-N 449.888 0.090 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834582077 YXASALLTXZWNNL-OXQOHEQNSA-N 441.912 0.722 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835798172 OLTLLGNMULNBLX-BONVTDFDSA-N 433.328 0.579 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460102 VCHKGXIBSOHYED-QFIPXVFZSA-N 445.520 0.502 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837602513 QAHGNWUQAHXGOI-XJKCOSOUSA-N 425.295 0.947 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828429 QOGYSVHWMPJPIF-SJKOYZFVSA-N 430.845 0.247 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1C 1838834539 JONOILMXVJSPQI-ROUUACIJSA-N 449.335 0.735 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cnn1C 1840031086 FKEJABFVYICTMN-SJCJKPOMSA-N 429.315 0.582 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840035646 YTEUTQGMWZEARF-XIKOKIGWSA-N 443.294 0.951 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1840153036 BFURCVJAHRTGSQ-KXBFYZLASA-N 428.917 0.788 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410952 XYJSEKMPPZQHAO-QZTJIDSGSA-N 447.319 0.548 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840885771 ATXZIZHISGIKIL-UGSOOPFHSA-N 449.342 0.816 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(C)c(C)[nH]c1=O 1848322165 LDSJVFKATRDHSV-KVBMINBWSA-N 439.476 0.336 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2c(C)nc3ccccn23)c1 725910859 SVUWPDOZKHQGRE-UHFFFAOYSA-N 429.458 0.585 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nc(-c4ccncc4)no3)c2)CCN1 726377150 LRAAWNKAKSPQOV-UHFFFAOYSA-N 443.445 0.009 50 20 ICGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1I 728022758 UZFQXKWACTXHAW-JTQLQIEISA-N 437.259 0.731 50 20 ICGD CN(C)N(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCS(=O)(=O)C1 728177617 FYJNUESEYNFDAR-ZDUSSCGKSA-N 426.451 0.775 50 20 ICGD O=C(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 728334764 QVDIQEBQYOSULN-SWLSCSKDSA-N 445.394 0.791 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cnccn2)c(Br)cc1F 728504625 SXEQHJVJGBVSLN-UHFFFAOYSA-N 433.215 0.788 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)cc2Cl)n1 729726591 JFZJBUKSEVJNMM-UHFFFAOYSA-N 435.853 0.628 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732246012 FTCXEQCPXDUFTP-INIZCTEOSA-N 437.522 0.460 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 740849736 IPTMQECUQWWIOE-OAHLLOKOSA-N 438.550 0.848 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1)NC1CCCCC1 746578472 AMGAPMFPBKWKTA-SFHVURJKSA-N 427.461 0.933 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 748622704 BAHAXVBXJYZCTB-HRCADAONSA-N 436.509 0.818 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749222580 ZMSCGKNILVSABG-UHFFFAOYSA-N 441.488 0.753 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)N(S(C)(=O)=O)CC2 753136645 OPUNYFSWWXXZEX-OAHLLOKOSA-N 436.490 0.742 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CSCCS3)nc2)CC1 756062052 OYJIUXVQWPWLPY-ZDUSSCGKSA-N 446.624 0.492 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2NS(C)(=O)=O)n1 761611784 HXSWJDNXYUSXMI-UHFFFAOYSA-N 426.476 0.370 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763921159 IKGZENITCXAIGN-UHFFFAOYSA-N 438.448 0.002 50 20 ICGD COc1nccnc1NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 764460911 SDCUEQOZHVIFMN-UHFFFAOYSA-N 448.505 0.242 50 20 ICGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC(F)F 764813508 ZSKOXEMWMCLXHM-UHFFFAOYSA-N 436.375 0.194 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc1F 765318839 SFQVMVBZNSQCOK-UHFFFAOYSA-N 432.474 0.800 50 20 ICGD O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NNC(=O)c1ccc2c(c1)OCCO2 765470249 YZBPVJKYJNGDEI-UHFFFAOYSA-N 426.389 0.615 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)NCc3ccco3)n[nH]2)cc1OC 765596638 JJYSOZMLGLRYRC-UHFFFAOYSA-N 442.432 0.947 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C/c3cc(C#N)n(C)c3C)CC2)cn1C 766744968 VHSFDEUILDYGCF-RQZCQDPDSA-N 441.517 0.687 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)c2ccccc2c1=O 767224503 RRKWRAWTZQUKRP-UHFFFAOYSA-N 449.533 0.965 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cc(C#N)cc(Cl)n2)c1 768711716 CTYFHYSXKVZVCV-UHFFFAOYSA-N 436.881 0.730 50 20 ICGD C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 771433540 LBWIKEZOEYVHFY-CABCVRRESA-N 440.522 0.467 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)s1 773226067 GMAIQYWWQJEQOC-UHFFFAOYSA-N 435.524 0.992 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1 773732164 XQLKNMMMBAGHAQ-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD O=C(NCCc1cnccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 775455379 RBHFSKZKYPBMAB-UHFFFAOYSA-N 432.506 0.838 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)nc1C 778425550 BLYFLXZHXJPXNS-UHFFFAOYSA-N 432.462 0.486 50 20 ICGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778436671 MWJXCLIZXIYFAG-LBPRGKRZSA-N 429.495 0.777 50 20 ICGD CCNC(=O)N(C)NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 780712219 VXLOYWAZOSUTKM-UHFFFAOYSA-N 428.511 0.989 50 20 ICGD Cn1ccnc1-c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004655 IRKSSBCODBIZSA-UHFFFAOYSA-N 426.458 0.665 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 785639312 CSFYKHFQMJTIHF-MSOLQXFVSA-N 441.488 0.195 50 20 ICGD Cn1c(=O)ccc2ccc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc21 787542647 COPAYZISFDVIPB-UHFFFAOYSA-N 446.423 0.830 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)n2ncnc2N1C 791464541 FCNBZWROHYZJMM-LLVKDONJSA-N 429.393 0.476 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2COCCN2C2CCCC2)cc1 792803564 CKMHCEPAGJLGOJ-GOSISDBHSA-N 438.550 0.406 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 801883267 IKLQFHBBERLEMK-QMMMGPOBSA-N 425.389 0.668 50 20 ICGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)cc1F 806582550 SDDFLOPGDAQRPP-UHFFFAOYSA-N 437.819 0.388 50 20 ICGD Cn1cc(C(=O)NNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc21 807130960 MCPANYXVSQBNNG-UHFFFAOYSA-N 443.489 0.760 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 808011394 VMNLMSADCLAFFG-NSHDSACASA-N 429.499 0.081 50 20 ICGD N#Cc1cncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 811675814 MXPLQEZOIAIKSD-UHFFFAOYSA-N 449.514 0.751 50 20 ICGD COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC(C)C 822790331 AVVKEIFBIMCCEY-CQSZACIVSA-N 433.552 0.488 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CC[C@H](B(O)O)C2)c1 864232733 BPKOSMSHCLKGAO-AWEZNQCLSA-N 427.332 0.464 50 20 ICGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 871020878 LQERBUBVHOETAE-INIZCTEOSA-N 427.255 0.696 50 20 ICGD O=C(NNC(=O)c1noc2c1CCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 917901434 XSFQBTJMDYXYOC-UHFFFAOYSA-N 434.474 0.649 50 20 ICGD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888971 JDGDTOAFNSNCSU-LSDHHAIUSA-N 440.522 0.640 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)c(C)c1C 920826525 OWAKSSAUGGUBPH-UHFFFAOYSA-N 438.550 0.667 50 20 ICGD CCCNC(=O)NNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 921042941 VNSXYHWMWCCTGR-UHFFFAOYSA-N 434.522 0.897 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779363996 VKHUTSABXWQQKA-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783529301 HKWLFTCQURYWSC-SCLBCKFNSA-N 439.310 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1783937283 RIQWYDXSCZXKTO-NRFANRHFSA-N 438.475 0.710 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1 1784298528 PELMFIGKSFSYNR-HSZRJFAPSA-N 445.564 0.834 50 20 ICGD Cc1cc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1785063409 YFTIHJWRCAUQAQ-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nc1 1785307490 PBPGXOLTGYTCTO-IHPCNDPISA-N 445.564 0.675 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4[nH]ccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984525 QJVSYAUWLSYDME-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)n1 1789923011 QAGAYUPQFHEHTD-JURCDPSOSA-N 447.305 0.813 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790590268 BUHZDXCMSMZXRD-KKUMJFAQSA-N 438.557 0.392 50 20 ICGD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c[nH]1 1794304333 NODJVEVORXVPHH-XEMDLRDOSA-N 439.321 0.509 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)nc1)C2 1796441304 WJGLFCXHNQRGLK-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD CCCc1onc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796613579 SMDFCEJRMQABDI-CWPLJXCYSA-N 441.293 0.132 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1800183205 AODLOFWGZQUMNO-NRWUCQMLSA-N 435.388 0.091 50 20 ICGD CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccc1 1801011190 NBNZPCYFSFRCAZ-NYUBLWNDSA-N 433.553 0.792 50 20 ICGD COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CCC1 1801613175 VCZQIAYQUQOOJY-ZPHZMXASSA-N 445.520 0.669 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)C1 1802339622 CJTUOFWLSVINRK-HSFUPAIVSA-N 436.553 0.977 50 20 ICGD CSCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1802363788 IRTKKXMAHRCNCZ-VWKPRPGLSA-N 435.550 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCCN2C)[C@H]1c1cccnc1 1803178271 QIHXKATXCGCKFL-XQBPLPMBSA-N 444.580 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1803744501 XEQMJIMVFSWMFB-QRWLVFNGSA-N 441.492 0.270 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805246987 VTUAQHSREGEVGR-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD COCCOCCOCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805527780 DVNZFXKTKBAAEG-KRWDZBQOSA-N 434.961 0.887 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805893085 KNKXVFQMKZAVQY-CRAIPNDOSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363727 FKPVHMQOQQSKHW-ZVDOUQERSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364782 KDQPIDZHFBLRPI-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807367192 JRBAUSPGPHQTEV-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]2c2cccnc2)CC1 1808314674 ZECVNUJUEIINBA-NZSAHSFTSA-N 439.919 0.786 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1809313542 WMWBGVAOBCCMPL-STPJHCLOSA-N 442.520 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1813070368 IDDDOUSYVMPXJA-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339929 VFJVXWKSMKZZGX-PZSREKOKSA-N 430.339 0.422 50 20 ICGD O=C(CC1(O)CCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361357 AADIAWDTRSCNHX-CQSZACIVSA-N 429.307 0.354 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471780 MTVNKXKGDMNMDI-SCLBCKFNSA-N 441.297 0.262 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)CC1 1823770654 GDGZNAYKEQIHOV-FPOVZHCZSA-N 440.305 0.926 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826079428 ZEALGJPRRBJEJW-LJQANCHMSA-N 439.520 0.815 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nn1)CC2 1826080565 RDILTZKZNMOSRS-SNVBAGLBSA-N 433.494 0.238 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723239 MPDNPONLCWBMCH-VQIMIIECSA-N 431.316 0.939 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730663 BVFKKEKEEUVDEW-XLIONFOSSA-N 439.871 0.977 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738260 NFSXPKCNUSWJCV-PXNSSMCTSA-N 436.896 0.092 50 20 ICGD CSCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831540150 ZRYGLTAFUQCRGU-FQEVSTJZSA-N 444.598 0.205 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835929131 BEMRRWDXGHBFSA-NRFANRHFSA-N 444.318 0.120 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836671444 ZCIZTRBJQSSEIF-ZDUSSCGKSA-N 443.346 0.703 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839648042 PRTTXIMHUQUPJC-UVRXNYFOSA-N 436.278 0.173 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1839963393 JIASHUUCYKQITO-BDJLRTHQSA-N 431.287 0.359 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840032313 VCHSPGYCJAXVKU-BMIGLBTASA-N 433.328 0.579 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840032361 WKWYBFZKJFBMTD-BLLLJJGKSA-N 432.340 0.925 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034690 TWTVDDSBBAVAHS-RDTXWAMCSA-N 447.326 0.736 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1840153227 HYNNADJJSFTPHJ-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1 15545142 YGDOXBOYZBCBQS-UHFFFAOYSA-N 433.515 0.387 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 26694962 YQFDTHLXSRBTSO-UHFFFAOYSA-N 432.458 0.323 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728730035 XVFTYRQNHSZPDX-ZDUSSCGKSA-N 446.551 0.279 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2)c1)C1CCN(c2ncccn2)CC1 728853942 ILMJJDVWOLOULW-UHFFFAOYSA-N 427.490 0.888 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c2ccccc2n1 732474647 RUYFOIQLGDIPOR-OAHLLOKOSA-N 449.533 0.976 50 20 ICGD O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NNC(=O)c1cccc([N+](=O)[O-])c1 734981494 LDEWUWVZLWQQGC-UHFFFAOYSA-N 443.401 0.853 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)Cn3cnc4ccccc43)ccc21 735647556 RYVNHUSOTJYYTP-UHFFFAOYSA-N 434.456 0.523 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 739666828 FIXUWYDRLKJCSA-HUUCEWRRSA-N 444.579 0.928 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCc2ccccc2C1 740987239 OXWLEZWAOGACQO-MGPUTAFESA-N 439.468 0.964 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 742479223 XMIUUMAOBHRLGD-CYBMUJFWSA-N 442.505 0.964 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(OCC(=O)N2CCOCC2)cc1 743448003 TXSAWNCUDGMYLC-UHFFFAOYSA-N 429.433 0.208 50 20 ICGD CN(C)CC(C)(C)CNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 746478074 MSHYNEQCLQPLRR-UHFFFAOYSA-N 442.564 0.735 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1=O 746778652 BWNFABIUSUWMJW-ZBEGNZNMSA-N 430.508 0.021 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1ccncc1 747429753 RMEHLYZHOIJYAU-UHFFFAOYSA-N 434.474 0.301 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1N1CCNC1=O 747716294 VUIVABSFPFLMHG-UHFFFAOYSA-N 437.412 0.714 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)N1CCCC1 748247837 YGRYPBGHQCEKEW-UHFFFAOYSA-N 449.316 0.818 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 748613538 KYQGYACAADZBRM-OAHLLOKOSA-N 442.538 0.743 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccnc1Cl 754483479 FLARBPBRHJOEQK-CQSZACIVSA-N 446.938 0.960 50 20 ICGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 755314591 XBNWPTFPOVERBV-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1CCC(C)C 756155938 XIXIGICQHYLDDQ-UHFFFAOYSA-N 439.480 0.867 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc(C#N)c3)cn2)C[C@@H](C)O1 756840250 UXBGGCNPSUJNSI-OKILXGFUSA-N 425.449 0.857 50 20 ICGD CC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 757996664 FHBPWBJUEMMMCR-UHFFFAOYSA-N 447.839 0.143 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cnn1CCO[C@H]1CCCCO1 760119198 BSGGQGVZQJFUBD-YRNRMSPPSA-N 437.541 0.995 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cnn(-c2ccccc2F)c1 763575457 VXVFDUIDOAMLAB-KRWDZBQOSA-N 425.376 0.937 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)c(C)c2)CC1 763881741 PGAPEUGVQOYKRV-UHFFFAOYSA-N 441.536 0.736 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1OCC(N)=O 764245248 OFQVTGJLHFRTDS-UHFFFAOYSA-N 439.428 0.300 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764356352 VHWQDWJZVBEQCE-UHFFFAOYSA-N 433.490 0.487 50 20 ICGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642298 LPZQXFKFZBWDLD-QGZVFWFLSA-N 429.521 0.239 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC(F)F 767045437 FWDXZWPTMXOJBL-UHFFFAOYSA-N 443.432 0.881 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 768641259 QJDCEOPWEWGLBR-UHFFFAOYSA-N 443.503 0.812 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3ccccc3)nc21 770338880 ALMNWQSFHYLTGN-UHFFFAOYSA-N 448.509 0.892 50 20 ICGD CCOc1ccc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 781445781 QJKOPIKOZPGMQI-SFHVURJKSA-N 430.413 0.995 50 20 ICGD NC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 781937195 OPWGFPGOVVIWIZ-UHFFFAOYSA-N 442.439 0.957 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1CC(=O)O 782250438 WMFXUXSQKMYDRI-UHFFFAOYSA-N 444.473 0.838 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccnc3Cl)cn2)C[C@@H](C)O1 784839036 GOZTWCCSECZXCL-TXEJJXNPSA-N 435.872 0.649 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNc2cccnn2)c1 784858066 FEAGHINBKHSSPX-UHFFFAOYSA-N 441.185 0.950 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1=O 785659411 ZWDLKAYAWJSEKT-MSOLQXFVSA-N 430.505 0.632 50 20 ICGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788622851 CFDHTFCZPLFSNC-BLLLJJGKSA-N 432.458 0.423 50 20 ICGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 789585079 WQIYCEKBXGMTAW-LBPRGKRZSA-N 435.234 0.942 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccnn1-c1ccc(Br)cn1 790584141 QBORCQUNWPGOKJ-VIFPVBQESA-N 443.283 0.617 50 20 ICGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 793672556 CMJVTZHMZNVNPT-VQIMIIECSA-N 440.566 0.510 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 794588957 DIROFNKYYVSEOV-UHFFFAOYSA-N 427.451 0.297 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 808011532 XHFBJVVUNXMSPG-DOXHGZAWSA-N 435.481 0.697 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(C3CCC3)c2)n(C)c1=O 812993754 YNZQEVFOFNIOQQ-UHFFFAOYSA-N 425.449 0.554 50 20 ICGD Cc1nc(Cn2nnc(NC(=O)C(=O)NNC(=O)COc3ccc(C)c(C)c3)c2C)no1 815565483 PPZCFVRVZWKKQN-UHFFFAOYSA-N 442.436 0.108 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOCC2)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 878390602 UZPKOSXZJJQAPR-KRWDZBQOSA-N 442.428 0.062 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 912996092 UWWBSHHIHHWMJI-ZDUSSCGKSA-N 431.449 0.998 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1 913484351 CCQSKYCKHDCBQJ-OAHLLOKOSA-N 448.501 0.566 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 916229209 UWOZIGAYNGFFME-KRWDZBQOSA-N 432.568 0.395 50 20 ICGD CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916291775 GZNUHRQYHXGVKI-HXUWFJFHSA-N 444.513 0.961 50 20 ICGD CN(C)C(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916623922 DVUANYOQOSQMJT-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)c1cc(Br)c[nH]1 916731830 UHVFJIMMKVWYGX-UHFFFAOYSA-N 448.281 0.929 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2)C[C@@H](C)O1 918707012 BDJZXSYHMWDQAL-GHMZBOCLSA-N 438.428 0.991 50 20 ICGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 919838865 PMKHSHIEMNQRPY-UHFFFAOYSA-N 436.450 0.427 50 20 ICGD CC1(C)CC(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)C1 920975884 JMLXESSRHXDOQM-UHFFFAOYSA-N 435.502 0.784 50 20 ICGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 921041709 JDYCYXMFKILZLA-AWEZNQCLSA-N 439.538 0.810 50 20 ICGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)CC1 1319175432 HNTOYQZGCVIEDA-HNNXBMFYSA-N 438.554 0.594 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC(OCC(N)=O)CC1 1331420636 ZONLUZKUFHIFGE-NSHDSACASA-N 443.298 0.924 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888550 BEHPJBUISZXXNH-QKKBWIMNSA-N 448.907 0.631 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528978 VXIVUEZAPLBDGD-CXAGYDPISA-N 441.282 0.792 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781215126 IGUGTVAVINJEPB-TVSHIAKJSA-N 438.912 0.840 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1781560415 JYIPLAKGXKCEIF-QIIPPGSGSA-N 444.847 0.805 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784467963 GMSCLIYGKKIYTQ-BRBKRDGESA-N 429.521 0.688 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccc1F 1786981942 RDTGYDSVPHKLDM-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)c2n1 1787906942 MNLRCHGSXBRRAD-HJWJTTGWSA-N 435.912 0.539 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788750892 CUBHLKFRAWIOPQ-QTVXIADOSA-N 430.343 0.688 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791057777 GQCSVHGGBLPYQV-QAETUUGQSA-N 445.402 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4cncc4c3)C[C@@H]21 1791291524 WJCAACDLDUUNMS-WDSOQIARSA-N 442.520 0.301 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1793448370 ANIGFIFEQMMBFU-NNXHMXCWSA-N 432.901 0.478 50 20 ICGD Cc1csc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1794083437 LUQQFEYDDOBHBD-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2cnccc2n1 1796190998 MWCHNXSHSBKOGM-REPLKXPHSA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H]1Cc2ccccc2CN1 1796327955 VSHNXKHRBBUGOI-QEOTZNIISA-N 440.313 0.981 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1800640860 JJKKWBDPKRGOOX-FQLMCAECSA-N 443.342 0.906 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1800977068 HPBDBLKGBXVDLH-LYLFPVJASA-N 439.896 0.600 50 20 ICGD C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801002307 MXUSAAKRVCDIQL-RMFSNUHRSA-N 429.521 0.498 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1807361662 JCSHGUFCRKJFBC-OBUJGBQQSA-N 437.305 0.649 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368584 VQDOYTVBEXBWOX-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD COc1nccnc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975108 UCVQYMGHJPISBD-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810294212 IWWKPEVSGNWGFC-CRAIPNDOSA-N 435.488 0.949 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncccc1F 1811121708 KDPHCXJMDFUTJU-DYESRHJHSA-N 448.263 0.929 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812403477 APAARPOXFPFCSP-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2cccnc2)[nH]n1)c1ccc(B(O)O)cc1 1817471358 VUQNLCAASPJLCJ-IBGZPJMESA-N 449.276 0.869 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CO)o2)[nH]n1)c1cccc(B(O)O)c1 1817476764 PUFRLGIBIQDOKD-KRWDZBQOSA-N 438.249 0.795 50 20 ICGD COC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822623076 GAOHRMZZAOWVOE-AWEZNQCLSA-N 444.452 0.070 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1826087734 JQZPBIILNIWJJM-HADWXUJASA-N 449.581 0.900 50 20 ICGD O=C(c1ccc2cnccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728270 RIAVQBWEKXWJMM-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830732593 UBLVGTLPQMCHKQ-PXNSSMCTSA-N 442.896 0.374 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832018709 XZMBFOYKHJZIKU-MGPUTAFESA-N 441.912 0.165 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312485 OINHZCAJDWAUPB-YOEHRIQHSA-N 426.949 0.086 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903921 NEYMAXHWFSCYIJ-ACJLOTCBSA-N 430.889 0.064 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834586166 CTHZJULFNTXCRJ-XJKSGUPXSA-N 443.386 0.868 50 20 ICGD COc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836715134 JYWFJUJPPFBKJN-HNNXBMFYSA-N 426.901 0.697 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873615 COHXPNVZBVMEST-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837114017 XQCJCGFKVBEPGZ-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1C[C@H]2C[C@H]2C1 1837286138 AHFUHJNNSLFWTM-KAYRBKQESA-N 448.333 0.474 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1837715433 PZNIOTOUNILFNV-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838430891 GMUCDYDNNUPSDP-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838686877 IXXQZLFVTHPGFV-NQIIRXRSSA-N 448.907 0.746 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722608 BXIIPEVPHVIQOA-RHSMWYFYSA-N 429.315 0.582 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840033169 WNKXGRVHNGDUKD-GTNSWQLSSA-N 444.282 0.346 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353569 FAIQHZWRMNKEST-NJSLBKSFSA-N 445.944 0.550 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1843415466 KCWWUMYQBSPYQH-WYMPLXKRSA-N 439.432 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3O2)C1 1846335247 RAHHJDAENDLEKF-IBGZPJMESA-N 435.484 0.896 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)ccn1 1846385335 REKGTPLVINCGNJ-UHFFFAOYSA-N 431.493 0.448 50 20 ICGD O=C([C@@H](F)Br)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848217386 KNJZJHBISZARFD-ZJNJWXDTSA-N 443.273 0.885 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc2)cc1 26752647 WONMRKJHNCCSIR-AWEZNQCLSA-N 447.517 0.634 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(=O)n(C)c3ccccc23)c1 107910957 PXUFCOHLSLWKNU-UHFFFAOYSA-N 428.470 0.864 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 110941128 XDNPJSDBLOYRDC-UHFFFAOYSA-N 448.457 0.863 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)NC1CC1 726618617 GVCCVVJWQOZNTR-KRWDZBQOSA-N 432.502 0.569 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)N1CCCC1 741683915 SXSOHPNRIKIEBE-OAHLLOKOSA-N 433.534 0.708 50 20 ICGD CC(=NNC(=O)C1=S=c2nc(C)cc(C)c2=C1N)c1ccc(S(=O)(=O)N(C)C)cc1 744781453 XJINKHMSRVOIQM-UHFFFAOYSA-N 445.570 0.726 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751209876 WRRSIKFYDNUNNS-UHFFFAOYSA-N 438.531 0.968 50 20 ICGD C[C@@H](NC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 751617905 FLUDAAJAPGSKCG-LLVKDONJSA-N 430.527 0.754 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2-n2ccnn2)cc1OC 752310235 SUEZGWYDLNHYOI-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 754977380 OFXSYGATOXFODE-LJQANCHMSA-N 437.474 0.654 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2=O 756862431 CJLIJLRMBDSJEC-VXGBXAGGSA-N 440.460 0.843 50 20 ICGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 756905434 XFGRCHDOXKPSMM-AEFFLSMTSA-N 439.534 0.745 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1-n1nnnc1C1CC1 757620615 IDIKYYCDMFQKTE-NSHDSACASA-N 435.466 0.136 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)c1=O 757765746 XIVVPIYXVQUFEX-UHFFFAOYSA-N 426.389 0.527 50 20 ICGD CN1CCC(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc21 758524462 VZRBXWVVUJTXNE-UHFFFAOYSA-N 445.339 0.905 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 758675374 GTTGQOBGIGRDGM-ZIBATOQPSA-N 446.888 0.516 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 763186371 NDZJTQGBXBXRGM-MRVPVSSYSA-N 426.207 0.626 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 763205567 ARCKBRCUADIPTJ-UHFFFAOYSA-N 449.352 0.861 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1CCCO1)N(S(C)(=O)=O)CC2 763508339 XZESGCTXGLOEDO-GJZGRUSLSA-N 441.506 0.279 50 20 ICGD CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763558970 PFBGIBFDOVOCJU-UHFFFAOYSA-N 439.833 0.872 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 763645323 ULAMFAYVHHNOAK-GOSISDBHSA-N 440.456 0.370 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 763871038 CVCHLVTZYWXTCL-LBPRGKRZSA-N 445.432 0.353 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 763872163 KNTJKGJMKAUMRI-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c(OCC(=O)N(C)C)c1 763921848 WUJKEQIUNWAAGS-UHFFFAOYSA-N 430.436 0.930 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)o1 764138310 BDYLDOAHBFNUNP-UHFFFAOYSA-N 429.433 0.966 50 20 ICGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2O1 764265563 AOXKBOHXZZIHGO-UHFFFAOYSA-N 440.460 0.986 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)C(=O)C1 765565356 PCMNXVWQHKIBEI-UHFFFAOYSA-N 448.505 0.979 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCCN3CCOCC3)CC2)cc1 766648789 LCFRUKBVSIJUNO-UHFFFAOYSA-N 431.581 0.763 50 20 ICGD COC(=O)c1nccc2c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cccc12 777938885 HVGDUKDIJAOELB-UHFFFAOYSA-N 438.462 0.856 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)nc2-c2cnn(C)c2)cc1 780171791 RQMQFGWNQSBTNV-UHFFFAOYSA-N 445.505 0.211 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(Br)cc3)cnc2n(C)c1=O 783004660 HBGWXUVBJVCDHH-UHFFFAOYSA-N 447.249 0.477 50 20 ICGD O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 788496168 IGTISSGPNRANOX-HOTGVXAUSA-N 434.426 0.965 50 20 ICGD CC(C)Cc1ncc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 792355151 QKNHXGYTOWYSIX-UHFFFAOYSA-N 448.505 0.325 50 20 ICGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1OC 793449402 BFIBVEVHELLTNH-VIFPVBQESA-N 443.869 0.299 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 796552614 UVKUCPVTRPSRGU-ZWKOTPCHSA-N 429.477 0.689 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 796570340 PGNWMSYLLZQUIO-UHFFFAOYSA-N 425.507 0.198 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2c(I)cnn2C)c1 796612478 ZLYVGRPETLVWRA-UHFFFAOYSA-N 442.213 0.951 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 802067262 AORNYCBDPCELFH-KCPJHIHWSA-N 436.490 0.807 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)ccc1F 806974538 MIUXVJDQXUYDGP-UHFFFAOYSA-N 440.478 0.684 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2=O)c(OC)c1 807578165 YOUSKPWZGJPYCX-BEFAXECRSA-N 440.522 0.186 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 814784379 CEDLGHATMFKBDN-LBPRGKRZSA-N 440.526 0.463 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C 816828316 AVVFGDVKNGNHMJ-SNVBAGLBSA-N 437.316 0.102 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 856546462 PQILHYGYCLKKLL-KDURUIRLSA-N 441.532 0.521 50 20 ICGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 913623830 GVQASUMJPSKSFM-HNNXBMFYSA-N 433.428 0.684 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 916830538 FNZICWAGUYLTBX-UHFFFAOYSA-N 448.501 0.848 50 20 ICGD C[C@@H](Sc1ncccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 1322301954 CICOMVLAOYWYAM-CHWSQXEVSA-N 440.547 0.380 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2cnnn2C)c1 1347709554 OQOCSCWCAWGVCH-UHFFFAOYSA-N 433.288 0.259 50 20 ICGD C/C(=C\C(=O)NNC(=O)Cc1ccccc1F)C(=O)NNC(=O)Cc1ccccc1F 1527539363 OWXRSVVCGNHIRG-JLHYYAGUSA-N 430.411 0.991 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 1777944527 QJQFWNDMUATODU-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1778121370 LUSGLBVQYFRBRP-AUUYWEPGSA-N 431.917 0.283 50 20 ICGD Cc1[nH]ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778301485 KVNSOQAWUQIEHQ-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)OC(C)C)C2)C1 1779168275 CTKKPRBFODUEFR-IAXJDVGUSA-N 433.509 0.764 50 20 ICGD O=C(Cc1ccc(Br)nc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780870319 MZZUGCBXZHJWKK-CXAGYDPISA-N 446.729 0.816 50 20 ICGD O=C(COc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782677284 XOYORLWRVYHWTJ-ZFWWWQNUSA-N 433.234 0.081 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937062 OGCWMNQSGCWHOG-HTAPYJJXSA-N 432.521 0.657 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3C)[C@H]2C1 1786125500 AWBSOKHGSMBQJC-ARQYOALSSA-N 441.492 0.147 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584269 FXGVIQAIIKAMLS-AJNGGQMLSA-N 441.326 0.397 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287990 LRBMWDMSBPKBBG-IHPCNDPISA-N 447.580 0.917 50 20 ICGD Cc1cc(Br)cnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975905 CJMHZNKEMXLZBI-WJNVRWDZSA-N 446.729 0.955 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2)c1ccc(B(O)O)cc1 1795734985 FAZAEIPZBVNQFE-FEJSZKPUSA-N 447.300 0.294 50 20 ICGD COc1ncc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189779 YXWDVLHLTIEELR-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccco1)C2 1796439638 UFBJIFWPIARCDB-OYSOCFBGSA-N 441.488 0.936 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797936817 QGIIRWFKTBUFAF-YYIAUSFCSA-N 443.386 0.962 50 20 ICGD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804692759 WYZZZOXSAHSLLD-GCJKJVERSA-N 445.288 0.114 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805552917 SGXMVFJFRARWTB-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1805729825 SRJBHRNOUWHFQR-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360479 BBPGMMZKKSYLFV-JQHSSLGASA-N 429.232 0.736 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360912 MHZAHIBAFJNPGP-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809825285 ZBVYMSNRDMLRAH-KBPBESRZSA-N 431.375 0.984 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)no1 1809979724 ABZXKEUBBJGBIG-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302556 LEEMHZGQESHTOL-BXWWLFJKSA-N 438.488 0.950 50 20 ICGD O=C(Cc1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354518 GHXXOUGYZPLBAA-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD CC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820856559 FVPUCUZAPGSUTG-JOYOIKCWSA-N 433.860 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3c1CCC3)CC2 1826089792 OHXGBLIUIWVYOD-LBPRGKRZSA-N 445.549 0.885 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]3(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826261948 QDTONVRKYLHPHY-SOZUMNATSA-N 437.689 0.973 50 20 ICGD O=C(CCn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055426 VSHVVPPCWOZEBZ-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830535840 ULXLONUCACFAIQ-RDTXWAMCSA-N 443.342 0.679 50 20 ICGD O=C(c1cccc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728354 RWJALMOUHTZASM-RXVVDRJESA-N 433.892 0.905 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738662 RAVFPZBIXUZYCL-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832838524 QFXHHEBFUZBONM-UZLBHIALSA-N 443.903 0.864 50 20 ICGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834424037 BYBDZGNMEQNUIR-UHFFFAOYSA-N 431.375 0.869 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(F)(F)Cl)CC2)CC1)c1cccc(B(O)O)c1 1834801527 SWLGAHDXDHHRCV-UHFFFAOYSA-N 443.687 0.383 50 20 ICGD CN1CCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc21 1836569925 GLWADPOWWYHCLM-NQIIRXRSSA-N 437.924 0.349 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n[nH]1 1839151561 WEFXPXDZYLFTID-QZTJIDSGSA-N 447.319 0.919 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202623 LPLDMDPCCPRTDY-WMLDXEAASA-N 445.289 0.590 50 20 ICGD O=C(COc1cccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203593 PPVGNOQNBFLOOW-HOCLYGCPSA-N 447.261 0.002 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839963676 RMUUNFRUUZMLIS-BZNIZROVSA-N 447.355 0.969 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1839965692 HSFNDFNFMPEWFB-SUNYJGFJSA-N 446.342 0.237 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184495 QGQACGZDOZMJOU-PGRDOPGGSA-N 436.553 0.562 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2csc3c2CCCO3)C1 1843225154 KZDHFSDAOCMVEM-UHFFFAOYSA-N 426.303 0.884 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2occc2Br)C1 1843483892 KFVJGXHGUJKBGY-UHFFFAOYSA-N 433.067 0.853 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1845748613 AMAJBKIVBRFQEL-SFHVURJKSA-N 444.580 0.876 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 725872087 NFPQRDOZSBEXNA-MRXNPFEDSA-N 431.518 0.882 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCc3nc(C)nn3C2)c1 727229856 XLQPUAGFEIGSBL-HNNXBMFYSA-N 449.537 0.576 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3O)cc2S1(=O)=O 730782316 MOQIUSUULVCDEO-UHFFFAOYSA-N 433.442 0.785 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 732474429 MDRMFFQWWAKCMF-CQSZACIVSA-N 429.455 0.027 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 742239765 DLPAVRDOFPAQPO-QGZVFWFLSA-N 437.456 0.444 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744540372 ZLYIGDGUXJYTDK-ZDLGFXPLSA-N 449.402 0.995 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 747331092 TZFZFBSBVQABSI-SNVBAGLBSA-N 430.845 0.406 50 20 ICGD O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)C1 748214727 ITZANCHOUYSVMN-CXAGYDPISA-N 445.453 0.437 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCOc2ccc(C(N)=O)cc2)c1 748691764 ZKGHTIGOZFQKDQ-UHFFFAOYSA-N 434.474 0.266 50 20 ICGD CC(C)c1nc(C#N)c(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 749942234 YRTRKTBSJQJIPR-UHFFFAOYSA-N 434.478 0.793 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccn1 756866639 XGLKVZTZUHNAHE-GFCCVEGCSA-N 447.473 0.821 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)n1nnnc1C(C)(C)C 757714454 GBPBUESSRGDAEU-MRVPVSSYSA-N 429.890 0.294 50 20 ICGD O=C(Cc1cccc(I)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 760446253 JIVHXTCSYXCLEX-NSHDSACASA-N 437.259 0.351 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 760798486 GOKLURHDTKVKBT-HNNXBMFYSA-N 436.513 0.553 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763622717 FOTZHDGSMBVDAV-UHFFFAOYSA-N 442.428 0.063 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn(C)c1=O 763639966 MWRNZTCKPMSLPT-UHFFFAOYSA-N 426.351 0.877 50 20 ICGD Cc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916585 GXPAJWAMPRNKAT-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)CC1 763921089 QQTXHIFAGQZRQK-UHFFFAOYSA-N 441.463 0.542 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 763996958 HIMPAYDCYZWKPE-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1S(N)(=O)=O 764131698 KIZNHKRGDSVBBL-UHFFFAOYSA-N 434.474 0.234 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764163779 MGXOIBGJEPNMAB-QGZVFWFLSA-N 431.470 0.363 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 764231837 QHSKXZYUGGQNNT-LLVKDONJSA-N 445.929 0.354 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 764325255 GTVOBIQYFHWJHG-UHFFFAOYSA-N 429.271 0.408 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 765484274 BTCADEDFXAKPGK-CQSZACIVSA-N 442.494 0.879 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C1CCOCC1 766757388 PUNOJOWQOFTXNU-UHFFFAOYSA-N 435.506 0.868 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O 767272132 AOFWNLVKRCXFAF-UHFFFAOYSA-N 430.461 0.483 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 767323755 YMDVXYVVMGJKFC-HOTGVXAUSA-N 440.522 0.845 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc1C 768035644 FBYHPPDKPCYUDB-UHFFFAOYSA-N 441.535 0.619 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)OCC(=O)NNC(=O)c3cccs3)nccc12 768615699 IKONBSIZXCWYOP-UHFFFAOYSA-N 434.455 0.562 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnc3sccn3c2=O)ccc1Cl 769254946 WMJOIGFEZHNPES-UHFFFAOYSA-N 427.851 0.132 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccc(Br)c(F)c2)c[nH]1 771681899 NYVXFAUPLLHNCS-UHFFFAOYSA-N 434.247 0.437 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(OC)c1O 777613699 WKWUYRUHBVVNBQ-UHFFFAOYSA-N 429.476 0.322 50 20 ICGD O=C(c1cnc(O)c(Br)c1)N1CCN(S(=O)(=O)CBr)CC1 777838092 QIPDTHDZYLOJNI-UHFFFAOYSA-N 443.117 0.990 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(O)c(C)c3)CC2)cc1 779530846 AZSOOMOQXJXYSA-UHFFFAOYSA-N 446.529 0.777 50 20 ICGD Cn1cc(-c2nc([C@@H]3COCCN3CC(=O)NNC(=O)c3cccc(Cl)c3)no2)cn1 780442097 CPGFTSSQLHAVII-HNNXBMFYSA-N 445.867 0.958 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1cc(F)c(F)cc1F 782897563 QRXLURLAJODSOL-UHFFFAOYSA-N 429.380 0.797 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1 787432709 VFFPFGFJQHUWOH-LLVKDONJSA-N 442.929 0.888 50 20 ICGD CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 789731198 DVSOCQSYRCJXPG-QWRGUYRKSA-N 442.563 0.815 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCOCC(F)F)CC2)cc1 790785187 XRJLXEAXEXQWTF-UHFFFAOYSA-N 448.492 0.121 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1C 799256950 BVYUPMGHXLMMMS-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccccc1 800623314 LSHQJIVWFWMGPO-KRWDZBQOSA-N 439.472 0.442 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802567540 XSZLVRXDFAVENS-MRVPVSSYSA-N 445.910 0.487 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1 807455365 DONQTFHZAADLSV-UHFFFAOYSA-N 429.389 0.888 50 20 ICGD Cc1c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1C 821877504 URJDQYSIOWLMBC-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2)s1 849193397 RNXCLIQIFDTJFS-GJZGRUSLSA-N 449.620 0.950 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 913446097 LFXNJRLUMPNNHC-UHFFFAOYSA-N 446.485 0.740 50 20 ICGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C 916144877 UJBUJKVBOZFRND-UHFFFAOYSA-N 427.421 0.485 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919689306 IWJIMOFIXBRHSD-UHFFFAOYSA-N 433.417 0.973 50 20 ICGD CCNC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920849886 WAKAWXLTHINIFR-LUYJPIOASA-N 438.488 0.982 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C1CCN(c2ncccn2)CC1 1327702782 UENXYFYEQMQQRC-MRXNPFEDSA-N 429.502 0.802 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3c(=O)oc4ccccc43)cc2)CC1 1338494380 NHWGKEZGHXMZSW-UHFFFAOYSA-N 445.501 0.674 50 20 ICGD Cc1cc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779031792 FVJFLLXVWQNHRQ-ATKOVBFVSA-N 440.460 0.138 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782967758 ULACXBNKHIYRLF-QAPCUYQASA-N 429.832 0.706 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783964196 MICPEFMQBJIZDP-UNQGMJICSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)[C@@H](O)CCl 1784092810 MOOMLIMEHBMHAY-APYUEPQZSA-N 427.841 0.493 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784442364 DGUCVIRGPWFSHS-VGWMRTNUSA-N 449.646 0.145 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc(C)c1O 1784997780 PJRXACSGLIIBHS-QFIPXVFZSA-N 432.521 0.826 50 20 ICGD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785076411 CEDMUUUVIYBZCL-AJNGGQMLSA-N 433.933 0.745 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498219 MGEHEMGIRONWQV-YRNRCURDSA-N 428.327 0.584 50 20 ICGD COc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1C 1791288738 RXCBRFKFGGGJHA-SZMVWBNQSA-N 447.536 0.365 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21)C(=O)O 1792166317 HGVMJAZKLXDMCX-PXJJSWNVSA-N 445.476 0.131 50 20 ICGD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1801040936 TUAOMLFSYXBBLX-GNTLTTKYSA-N 435.433 0.758 50 20 ICGD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802126689 MLRKJOWLHVLUIA-QRJUGERDSA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)[C@H]1c1cccnc1)[C@@H](O)CCl 1803142245 BTAZMXDHTSGATI-ZVZYQTTQSA-N 433.896 0.980 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)O1 1803648116 MJAAPFNJXYMABT-WUHRBBMRSA-N 429.246 0.886 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803819419 CSZPQYZFJLRDCW-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1805252741 MFCICMMJLDHPFW-DYESRHJHSA-N 439.520 0.873 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364495 ITDQNSHBQACCQU-UGKGYDQZSA-N 436.321 0.177 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810967830 MVEBRKOWFVHSEQ-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811245410 KICUGKTUWIHMSE-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1813330604 PIHOOYDQPGYCNW-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD COC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815308505 OQZNBKBUSFMUMA-WBMJQRKESA-N 429.481 0.997 50 20 ICGD O=C(CCc1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350047 FEDXMYUKDVTZPG-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(=O)n2C)n[nH]1 1816316786 MVHUMKVOFKHGPJ-OAHLLOKOSA-N 443.508 0.787 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n1 1817571026 QLXWTLLLCFVRJH-CQSZACIVSA-N 432.485 0.709 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CC2 1819791053 LXHIVZXIZOELLT-NHYWBVRUSA-N 444.517 0.937 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)O1 1819797154 NSRMYKIIDNQUEG-JRPNMDOOSA-N 444.517 0.935 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)no2)n[nH]1 1819873438 GAJSULSCBMYTGE-CYBMUJFWSA-N 440.420 0.722 50 20 ICGD O=C(O)CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822424997 MROREOYJLVSFKP-OAHLLOKOSA-N 446.294 0.213 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccccc1=O)CC2 1826085375 OSXMUAGXWWLJAB-CYBMUJFWSA-N 446.533 0.290 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054559 GZJYUZSAEXDIOE-SQUSKLHYSA-N 442.321 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C=CCN2)CC1 1827556636 PJKISRLOJSPNBZ-RBUKOAKNSA-N 426.521 0.446 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828783064 FTBROCHDDOWKOW-PLTNMMHCSA-N 448.394 0.758 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732219 WLRYTYKHBJYRBA-NQIIRXRSSA-N 448.907 0.608 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717107 IHVLMCRSNIPRAI-QGZVFWFLSA-N 440.928 0.878 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1836717249 PPRPNNQXJKVZKJ-YKTARERQSA-N 427.973 0.925 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1)C(C)C 1837224682 XHOGESAKTPWNJH-QIIPPGSGSA-N 449.342 0.814 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1838534560 PUFHTOMWZBCKDQ-OALUTQOASA-N 446.331 0.692 50 20 ICGD O=C(Cc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839059780 DWTGDYYYNSUSEY-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839147811 CXYJCKDAPNMVDN-KXBFYZLASA-N 426.901 0.753 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200892 RPDIQUQHFBWEKH-GDZNZVCISA-N 437.306 0.706 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493478 MJBGEMUIHVSUFO-VBKZILBWSA-N 436.896 0.887 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cc1 1840190831 PRCZSDUBNXRSRZ-GOSISDBHSA-N 430.288 0.659 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841925268 GNDJMFPLKGNWFZ-OCCSQVGLSA-N 430.933 0.847 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846005411 PFQWOCKCOJISII-INIZCTEOSA-N 444.536 0.061 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 24299140 TYCROANUTYIJBF-QMMMGPOBSA-N 429.202 0.053 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1cccc(OC(F)F)c1 728545019 SPFXREUGOZCNDP-UHFFFAOYSA-N 433.165 0.774 50 20 ICGD CCOC(=O)C=c1sc(=Cc2cnn(CCCl)c2)c(=O)n1CC(=O)N(CC)CC 728696425 RCILZBBFGQVRPM-UHFFFAOYSA-N 440.953 0.386 50 20 ICGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1cccnc1 728893432 MHLIXPCNGLFTOE-INIZCTEOSA-N 429.502 0.925 50 20 ICGD CS(=O)(=O)N1CCCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 728941870 DAVRFXVWODNUTB-UHFFFAOYSA-N 425.330 0.832 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732328364 XAYMKVVXIDEPPR-CQSZACIVSA-N 426.385 0.952 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474655 RZYAUOVAOPQIRV-CYBMUJFWSA-N 448.929 0.781 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 734313454 MXXOCQJLTUTBFG-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 735584750 YRXMBKUSZYNGTN-GUYCJALGSA-N 430.465 0.722 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C(=O)C1 741206607 AQXBHJDPSJTKQT-UHFFFAOYSA-N 429.477 0.937 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744351088 JTWTVXFOZORECA-WNPFRXICSA-N 431.445 0.162 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 744461320 YOBMUNJNSPBQDT-UHFFFAOYSA-N 444.400 0.646 50 20 ICGD CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)ccc21 744585207 CKNNTYYQSMKPBD-UHFFFAOYSA-N 442.453 0.498 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1C 745979121 ROIJARSOBUOCKB-UHFFFAOYSA-N 433.490 0.798 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)c1cnn(-c2ccccc2)c1 746259247 MJFNOEMHPGUUCM-QGZVFWFLSA-N 435.444 0.824 50 20 ICGD CCOc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748343576 NXBRIDGXQTWHEJ-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD Cc1nn(C)c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1[N+](=O)[O-] 748618210 AWJFKGQUMVKRME-UHFFFAOYSA-N 437.482 0.330 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1=O 753020176 OGNYEXVQUXOIST-MPBGBICISA-N 427.465 0.167 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n[nH]1 756031896 LXDBIFPLBVJULA-UHFFFAOYSA-N 426.430 0.345 50 20 ICGD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 762009120 YYHIDPZNLNNTEA-UHFFFAOYSA-N 447.473 0.915 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(F)c2)c1 763718336 JZVQYUWCEPVRJE-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763993231 MKIFQVIUEKZLHF-UHFFFAOYSA-N 447.517 0.908 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2C1 764003023 WSRHWOFCYFLNLO-ZFWWWQNUSA-N 436.534 0.567 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764200096 VHTQBICRNDJGRL-UHFFFAOYSA-N 433.509 0.271 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 764225957 DCKJZXFUOCGCNP-CYBMUJFWSA-N 440.522 0.669 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)c1C 764313815 OVGBFDKBBQARDW-UHFFFAOYSA-N 432.502 0.967 50 20 ICGD COCCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764426126 TUJAVUPNWXTSEU-LBPRGKRZSA-N 436.248 0.520 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C#N)CCCCC3)CC2)cc1 766635622 BDLMZJFJJBWVRP-UHFFFAOYSA-N 447.561 0.923 50 20 ICGD C=CCOCCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636149 KMYVJJUFWTXJBD-UHFFFAOYSA-N 438.550 0.432 50 20 ICGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 767088191 KWKPICLWFXABDR-UHFFFAOYSA-N 435.872 0.561 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCN3S(C)(=O)=O)n[nH]2)cc1OC 768277913 TXBVKNGMIFQXGU-CQSZACIVSA-N 437.478 0.279 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 768637119 DDPVFNGSTVTTCO-SNVBAGLBSA-N 433.533 0.970 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)NCC(F)(F)F 775668940 NNYHXUMCHCXXLF-UHFFFAOYSA-N 449.367 0.849 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2cc(Cl)nc(N)n2)cc1OC 779374956 JTIJZZPPXAIBTF-UHFFFAOYSA-N 430.874 0.541 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC[C@H]3CCO)nc2)CC1 779710768 KMMWTGKQEFYBBY-HOCLYGCPSA-N 426.543 0.195 50 20 ICGD COc1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)nc1 781522431 YFDYODDHVBCRCX-UHFFFAOYSA-N 433.490 0.700 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1 782537671 UCTUKGDKIMNXHU-UHFFFAOYSA-N 435.506 0.697 50 20 ICGD Cc1cc(Br)ncc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003763 OCHCWLCFENNLSH-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)[C@@H](C)O)cc1 791662429 HLNBMCOMOIXURR-UZLBHIALSA-N 449.529 0.866 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 793034056 CISZIHUNPVXICQ-UHFFFAOYSA-N 427.433 0.228 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 795168274 MBFPHAGYIUBBAY-UHFFFAOYSA-N 444.510 0.888 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)OCC(=O)N2 797428774 GIIGYRRDLXSIGD-UHFFFAOYSA-N 448.457 0.591 50 20 ICGD COCCOc1c(Cl)cc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1Cl 808105964 UHUQOGFESUBNKD-UHFFFAOYSA-N 430.266 0.684 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 814635638 HZJGVNIYUMIAPK-UKRRQHHQSA-N 448.505 0.646 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 815563669 KMPYXYGIAMMXHH-UHFFFAOYSA-N 430.373 0.928 50 20 ICGD CCN1CCC[C@H]1CNC(=S)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 884129643 LUZGPRQILKGUBA-HNNXBMFYSA-N 427.596 0.595 50 20 ICGD COCCN1C[C@H](C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)CC1=O 914456930 HNGQITFUIPSLSP-OAHLLOKOSA-N 432.506 0.363 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 916092802 HPMAZCQOMNCAFZ-UHFFFAOYSA-N 435.477 0.896 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 916516180 MYODBFKJDNXPNU-INIZCTEOSA-N 432.502 0.950 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2S1(=O)=O 917519531 NIWCQZSXNWKFRO-HNNXBMFYSA-N 431.426 0.452 50 20 ICGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885285 KTIICNYUEKPTHK-RHSMWYFYSA-N 449.533 0.369 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Br)cc1)S(=O)(=O)c1cccnc1 1248688090 GBCCPXATBHNICU-UHFFFAOYSA-N 427.280 0.926 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cncn1-c1ccccc1 1318313373 IUIXXYKPOTUNBH-AWEZNQCLSA-N 425.536 0.694 50 20 ICGD CC(=O)N1CCC(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1326746013 QOTYRNDUJXRXBV-UHFFFAOYSA-N 425.511 0.139 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891375 CUZQRBYFPOMPMI-IINYFYTJSA-N 445.232 0.953 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)[nH]n1 1779570673 CWPDXLMRHUEPSW-QFIPXVFZSA-N 440.309 0.144 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)o1 1779586066 MAQPBTUIMZHYOK-HXUWFJFHSA-N 428.449 0.047 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1780132747 DVKXNRSXODMSDZ-DYESRHJHSA-N 441.492 0.158 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780176424 WHCITOJQXMSWSD-QFIPXVFZSA-N 443.504 0.383 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1780713516 WBWQNENKVWDFNP-RUZGCFLTSA-N 437.368 0.329 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(OC)cn1)C2 1782171000 MQWXUGRJUVVSBN-ZXYWRSMDSA-N 426.901 0.867 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C1=COCCC1 1782249366 PSCUXGZVKZITKN-DENIHFKCSA-N 428.294 0.188 50 20 ICGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1782809971 IBAJHHQBWFEKAQ-NTLWEQJWSA-N 439.915 0.986 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783343063 LPEQZHQOSYHZQB-DVOMOZLQSA-N 439.372 0.671 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783349939 WKQTXYZERILEHX-SUMWQHHRSA-N 432.315 0.832 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783807371 RAHSGHAUOKEMTQ-IMSXRSKXSA-N 434.301 0.614 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096363 FJJGRJFKSMGQGS-SCNOPHJPSA-N 428.888 0.956 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]21 1787509054 YJMIJCWJOGGHHP-NGTHKXITSA-N 441.492 0.147 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccoc3)C[C@@H]21 1788611280 RGLMGGCRPPXFCR-SNRMKQJTSA-N 441.488 0.504 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889933 LHASAQHOSZZEMY-NUZBWSBOSA-N 441.282 0.552 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1791056839 FOJIDSUTBVGCBX-XWUBHJNHSA-N 439.310 0.557 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C=O)s3)C[C@@H]21 1791289058 GWFYWXXZTUPCPP-BPUTZDHNSA-N 436.534 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnc1C 1794517029 MMPUXYQLTKWTHU-MGRLTOJPSA-N 444.517 0.789 50 20 ICGD O=C(CS[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188635 AXGYUBAMSDUXGV-DMUMMCEESA-N 432.351 0.878 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1c[nH]c2nccc-2c1Cl 1796219971 UZEMOPLKRYNENN-FJHTZYQYSA-N 427.288 0.971 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cc(=O)nc2cccnn12 1798500194 HHXMJXSURUYKOY-WDAIWFPHSA-N 426.260 0.096 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800529530 QLTGKCRKKOPYQS-OKPIYLLQSA-N 444.438 0.597 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800639642 KZYMGYSCZNUYIT-VLEAKVRGSA-N 430.259 0.695 50 20 ICGD O=C(CCc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800796685 ORRKESFBYFGXQX-OPMZPASUSA-N 440.280 0.342 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012076 APAKRCIBDZCUCU-MFCZKXCZSA-N 449.577 0.525 50 20 ICGD O=C(NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1ccc[nH]1 1803142442 WTTXOEWGZKVKHB-AYBZRNKSSA-N 447.923 0.835 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1804622368 XUENROCPNZRHOZ-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)o1 1809974882 FPMNVZATGYOJOP-UHFFFAOYSA-N 440.309 0.579 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810826533 ONFVWPHKRLISJZ-DYESRHJHSA-N 449.272 0.480 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175782 VHRYEYYPNQVUOG-IERDGZPVSA-N 444.564 0.864 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)c1ccccc1 1815354790 DPDBWXDGMNGQGW-MRXNPFEDSA-N 449.297 0.932 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nc1)CC2)c1cccc(B(O)O)c1 1815360894 QIXZSSWOIRMMAA-CQSZACIVSA-N 438.274 0.463 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCC3)[nH]n1)c1ccc(B(O)O)cc1 1817471999 ATPOFIUTWWQAAZ-LJQANCHMSA-N 448.292 0.852 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479378 LWUYXUVMUITRCD-SFHVURJKSA-N 427.314 0.736 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)Br)CC2 1819472418 HDXIYTWYQRJQPP-UVPNAGLESA-N 449.327 0.903 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)[nH]n1 1822410240 CAJIPXCIHQKZAT-OAHLLOKOSA-N 446.512 0.383 50 20 ICGD O=C(Cc1ccc2ncnn2c1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1822492327 YMDSBSACEHYRGT-DGCLKSJQSA-N 434.909 0.940 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cncn1 1822763186 NTXILKIKDVZXIB-GUYCJALGSA-N 437.269 0.248 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)no1 1825178775 LSPOIDCFJUSORA-LJQANCHMSA-N 440.309 0.534 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080668 BREUFSCSZAABTL-CHWSQXEVSA-N 438.554 0.343 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830725773 LRYJDRMGELNSAH-XLIONFOSSA-N 425.913 0.379 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830727025 ZGXSGSIBKFISGO-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731774 OWAGFMIWATWTHR-DNVCBOLYSA-N 439.921 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC(=N)N)CC1 1831871005 KIMKMHZKZJZEOC-HNNXBMFYSA-N 426.587 0.606 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833523140 ATAKJPAWOLQWQN-OLZOCXBDSA-N 431.375 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833708838 HHBYBONNMHCHOG-UGSOOPFHSA-N 432.880 0.191 50 20 ICGD Cc1c(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cnn1C 1834280903 IPSJOAMUKZVBOI-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD CC1(C)CC(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834799092 NUGXHRUCTSLOMR-UHFFFAOYSA-N 441.381 0.988 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](F)Cl)CC4)CC3)cc21 1835079934 CSYGSAOGNQPUOU-MRXNPFEDSA-N 440.907 0.346 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837717297 BFKRQAJNTYXTEH-FQEVSTJZSA-N 438.601 0.971 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838038895 GEPRZYZONRDRKF-PXAZEXFGSA-N 436.843 0.602 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839144765 KFZGCMNOBGJEBT-DNVCBOLYSA-N 428.917 0.617 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839144767 KFZGCMNOBGJEBT-KXBFYZLASA-N 428.917 0.617 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839176432 OQPCLGRJPPTWJU-BEFAXECRSA-N 432.901 0.206 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840150499 MVLCYPZVYLEMCU-UGSOOPFHSA-N 446.863 0.106 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1)NC(=O)NCc1ccccc1 1843333456 SNHBSBJZZVOUHO-SFHVURJKSA-N 426.521 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1846386401 HYKFTDOAIBHBHX-VMPITWQZSA-N 432.477 0.393 50 20 ICGD O=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)c1ccc(Cl)cc1 1847545223 ZDTGYQWTRWTPPV-ROUUACIJSA-N 426.665 0.718 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847995081 XEDYCOLLMSDHCN-PMACEKPBSA-N 437.261 0.723 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2c1=O 17196381 RFOMXCWXJACGSM-UHFFFAOYSA-N 440.460 0.603 50 20 ICGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)nc21 109026914 JLVXXADVMACIRT-UHFFFAOYSA-N 428.493 0.636 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2CCOCC2(C)C)nc1 728399825 IBKOMKLNHBWEBY-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)c2ccc(Br)cc2Cl)C(=O)C1=O 728870174 VHKCGUMZTIRAQO-UHFFFAOYSA-N 431.674 0.554 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 728955095 WPSQIUXJRNAQDP-UHFFFAOYSA-N 432.462 0.524 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 730813899 PAIMSHNNXUPLDQ-UHFFFAOYSA-N 441.487 0.221 50 20 ICGD CN(CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC(F)(F)F 732703805 LFLNXHBURUTBNN-UHFFFAOYSA-N 425.433 0.375 50 20 ICGD CC(C)CCC(=O)NCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118244 OBMRRYJKJMYCSX-UHFFFAOYSA-N 426.543 0.013 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)OC(C)(C)C)CC1 735189500 BHVWRQZYWQQOAK-UHFFFAOYSA-N 427.527 0.862 50 20 ICGD COc1ccc(-c2n[nH]c(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 741418324 NYEPLZRSATVMET-UHFFFAOYSA-N 434.420 0.600 50 20 ICGD CN1C(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C(=O)C12CCCCC2 744511668 ZJURGKYAUHUDNC-UHFFFAOYSA-N 441.444 0.459 50 20 ICGD Cc1ccnc2nc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nn12 748619576 KXQOQDMHOUQCPE-UHFFFAOYSA-N 430.494 0.126 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1F 749144139 YFQCUSBCWLGIAJ-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 751283438 VTQXGACAVKPOJZ-UHFFFAOYSA-N 443.409 0.402 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 753296623 CVNARBMOMWMRMZ-HNNXBMFYSA-N 442.432 0.890 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21 763043784 TXMOFBLBCTZZTG-ZDUSSCGKSA-N 443.485 0.255 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763682665 SQXNDDNYIHGXQI-UHFFFAOYSA-N 443.460 0.482 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 763684883 PXGMALKBYNMJSU-INIZCTEOSA-N 446.847 0.406 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763867478 VLLLQWGHRUSFRD-LBPRGKRZSA-N 437.391 0.831 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2)cc1 764164519 RSNUBBUUQBUYND-JCMHNJIXSA-N 433.446 0.492 50 20 ICGD Cc1csc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)n1 764228659 ZODUSKKZKWBCDY-SNVBAGLBSA-N 425.492 0.142 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)ccc21 764294443 ZOILXCSDZQOXCL-UHFFFAOYSA-N 439.476 0.561 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(C)cc1 764661606 DSTFSCWDLPOGEU-AWEZNQCLSA-N 447.517 0.654 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C)CCOCC3)CC2)cc1 766636147 KMXKVWWKSPEQLA-UHFFFAOYSA-N 438.550 0.265 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 767744283 KOWVLGHIBBBEEA-OAHLLOKOSA-N 425.555 0.762 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)nccc12 768465687 PVGVCIKHDXJFLY-UHFFFAOYSA-N 428.426 0.728 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 772017828 XXGMTJBHGOWSDT-JTQLQIEISA-N 435.296 0.853 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1cccc(Br)c1 773030452 BXRJOZUKQLJAIK-UHFFFAOYSA-N 442.295 0.767 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 773082705 ZZBFOUONFGBDTC-NRFANRHFSA-N 436.428 0.195 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)co1 773417073 GDPIWDUQALQCNE-LLVKDONJSA-N 430.483 0.596 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)cc1 773716131 FVPJGFUXOZZFRY-UHFFFAOYSA-N 449.471 0.982 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 775337487 HVEBSAIAJFJQES-CYBMUJFWSA-N 449.489 0.957 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)cc(OC)c1OC 776885684 PXTDFOQIXLMDIC-CYBMUJFWSA-N 425.438 0.579 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 777648214 NWQJRHITFAJLHR-GFCCVEGCSA-N 435.886 0.953 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 778290873 RDOBYXXVPJCXIU-UHFFFAOYSA-N 445.505 0.629 50 20 ICGD CC1(C)OC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)O1 783286618 NHAVLFSVOYSGBW-HNNXBMFYSA-N 440.522 0.957 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1OCC(F)F 784003826 PEULSCJBGWIVFL-UHFFFAOYSA-N 426.401 0.908 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1 787541989 YXBMKRRHAOFUFZ-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)n2ncnc2N1C 791466303 RRWZRFFVERQXHR-LLVKDONJSA-N 429.393 0.476 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)CSc1ccccc1O 793748230 BVWGSENTJGTTKF-GOSISDBHSA-N 436.490 0.247 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=C1C(=O)OC[C@@H]1C)N(S(C)(=O)=O)CC2 794882596 PEPIGDLOPXVSAR-SMDDNHRTSA-N 439.490 0.618 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c(C)c1 797009605 VNFKYLLIXCNKMP-UHFFFAOYSA-N 444.444 0.537 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 800596468 MRRVTTUNMQEASD-UHFFFAOYSA-N 443.460 0.793 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 807381288 MQIQBTPUTMJRQS-MRXNPFEDSA-N 434.566 0.926 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902875 XBIJAQIVABYWDW-VIFPVBQESA-N 437.881 0.406 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc2c1COC2=O 808942771 GQJPZRHAWZMDNK-UHFFFAOYSA-N 426.385 0.369 50 20 ICGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884024 PTOFQHGVQWJREM-ZNMIVQPWSA-N 449.556 0.214 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3cc(C)nn3c2C)cc1 849163604 NJCGMOPXJXPXNW-UHFFFAOYSA-N 430.490 0.736 50 20 ICGD CCn1c(CCC(=O)NNC(=O)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 859367258 AVEXMXGYONXIKN-UHFFFAOYSA-N 449.533 0.567 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 913025838 GOVBHQBCSDXJAU-INIZCTEOSA-N 435.506 0.418 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc1C 914878623 MFEDUVOCFWTRRC-UHFFFAOYSA-N 434.474 0.892 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 916649845 LHQLFKKRZVZWBC-OAHLLOKOSA-N 446.508 0.968 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnn(C)c1)N(S(C)(=O)=O)CC2 917211976 QPGSYKRBVHUPPJ-INIZCTEOSA-N 435.506 0.837 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O 917723299 BOTPAVWCVIQUHQ-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD O=C(NC[C@@H]1CCCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918124265 MNMFMXKVTXVFBW-AWEZNQCLSA-N 426.495 0.078 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 918550828 MNUHZIXUQRESII-HZPDHXFCSA-N 437.518 0.276 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 919694367 YYSLNECXUKTQIY-ONGXEEELSA-N 434.301 0.928 50 20 ICGD Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)n1 919886974 YFMCXELMJFWXGR-LLVKDONJSA-N 426.886 0.669 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 1115940027 HXHIZOAJTYGKCN-UHFFFAOYSA-N 425.488 0.498 50 20 ICGD Cc1c(I)cccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1116570039 HJRXKUMKYAKADA-MRVPVSSYSA-N 440.263 0.690 50 20 ICGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1321920409 KXLOPCHIDFEPJL-UHFFFAOYSA-N 440.589 0.990 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)CCOc2ccccc2)CC1 1337589471 VOFHKDBPPRCZMS-INIZCTEOSA-N 437.518 0.276 50 20 ICGD C[C@H]1CCCN(C(=O)CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1347312434 GEBONJIUKRZMNM-AWEZNQCLSA-N 439.538 0.530 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1779034005 IANIDMAXHYBDQT-KKXDTOCCSA-N 425.848 0.053 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3sccc3Cl)C2)C1 1779784860 MQKIOFQYOMOAOY-IBGZPJMESA-N 434.710 0.839 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21)[C@@H](O)CCl 1784092243 LAUZSCPVBXRICR-TUUVXOQKSA-N 434.880 0.528 50 20 ICGD CC(C)c1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)co1 1785538580 TZJPNMREIIPQNO-IEZWGBDMSA-N 441.293 0.385 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982153 PGKRMFOBUIERDK-OQRYQMPQSA-N 440.305 0.432 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984228 RULDTNLXMAEJPS-NRDMVMEKSA-N 426.322 0.728 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 1788610401 YYQGDUGBUSVIGX-UVBJJODRSA-N 447.879 0.839 50 20 ICGD CC(=O)N[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789521946 PKAZVPPZQZEQKO-CYBMUJFWSA-N 438.488 0.957 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791057833 YASLDAANRKZQIZ-XWUBHJNHSA-N 444.286 0.554 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)c1cccnc1 1791294153 LLNHBFWDTOCSDO-IHRRRGAJSA-N 429.304 0.595 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792868464 ZZZVWIJPLBUUHL-CHWFTXMASA-N 430.259 0.552 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COc2ccccc2O1 1794099122 JQHZURZABIUKBA-RCJHGTSTSA-N 430.505 0.838 50 20 ICGD O=C(/C=C/c1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794173400 ADWOWJJHBMEFBF-IRCDVLGRSA-N 426.303 0.345 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2ncncc2c1 1796189095 VUALNKFRNDKYTE-ACDBMABISA-N 430.273 0.875 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c2c1CCC2 1797048908 SXFMRYXYVCMVRU-OHTBPHCPSA-N 425.327 0.895 50 20 ICGD CN1CCc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)ccc21 1797544879 CISBPFZTSLSRDW-WKCHPHFGSA-N 433.317 0.924 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1)C2 1797750914 VKCQSJMNEWEMHJ-CWPLJXCYSA-N 449.467 0.948 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751642 KZOKLKAXBQWYMM-YYAJDYIMSA-N 427.505 0.657 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Cn1cncn1 1798576129 RREIFUUIWHGDOX-BCCLYZLDSA-N 440.508 0.686 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)c1ccco1 1799346183 HHQODKSFWUVWGV-RDBQEKCUSA-N 432.246 0.290 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)C(C)(C)C 1800757742 UVJMKJGXRDMXKK-TVKJYDDYSA-N 432.359 0.910 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1OC)C2 1800973855 IAPJNSWLCXSVCR-DFGXFYAUSA-N 425.913 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2 1801011718 XQZFEHFBLPHDKQ-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1805290065 XCXSYKHRAPVNHR-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116560 WZVUXKAAYZFOOS-UWJYYQICSA-N 447.256 0.348 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807375255 NONJJEKKADRFKN-UWJYYQICSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@]2(C)CCCN2)[C@@H]1c1cccnc1 1808096635 WRLIZZWCCRCSOD-RBDMOPTHSA-N 430.553 0.603 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1813070992 MZGXZEXFZDWNJE-FOIQADDNSA-N 443.508 0.213 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H](O)CCl 1814876817 ZIPKCZRLKSCCLN-QWRGUYRKSA-N 445.954 0.862 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)c1ccco1)CC2)c1ccc(B(O)O)cc1 1815335550 DYNFBBTYJNTPHC-DYVFJYSZSA-N 441.274 0.375 50 20 ICGD CCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339832 QVHVPICUNWXXFL-CQSZACIVSA-N 439.306 0.579 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470280 NUPNQFOQCJQSAQ-ROUUACIJSA-N 425.298 0.490 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470430 QZMTXOALWVCHMF-FUHWJXTLSA-N 441.297 0.310 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474820 HDSSOQBKDPULIU-IYPOZPNPSA-N 439.281 0.435 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1818113040 ADFZXJKTGMGKGC-SOAGAIGUSA-N 442.480 0.672 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819543827 GGRJDICCHFULKZ-GOEBONIOSA-N 445.528 0.703 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCCN1 1822766969 YYOFSJZBRZYZRX-VBKZILBWSA-N 428.323 0.191 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)CCl)CC2)C(=O)C(=O)O 1824666705 BEOYDEKQHHMIOK-SECBINFHSA-N 430.914 0.863 50 20 ICGD Cc1nccn1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053436 OMBCABHUZGHSOA-NRFANRHFSA-N 438.337 0.805 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923332 DVEZBDOBUISHOO-UZLBHIALSA-N 441.532 0.957 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1830545536 KMODEQMBYNWOBV-VQIMIIECSA-N 446.386 0.960 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723945 AGEGFSYKYQSGHG-KPZWWZAWSA-N 430.864 0.096 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCc2ncc[nH]2)CC1 1832070438 QQPHZCZHZWVARM-HXUWFJFHSA-N 438.337 0.956 50 20 ICGD COCc1oncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310571 NJGGHJBFJVQCDV-MRXNPFEDSA-N 428.917 0.606 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834584581 NVRKMXYXMLVDLC-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834821410 ISMZWBSVPLCSHH-KRWDZBQOSA-N 444.330 0.714 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875961 UERMVOSGEDEMAV-GFCCVEGCSA-N 428.335 0.028 50 20 ICGD CC(C)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835790370 CHDTXWVGJNGBLU-QGZVFWFLSA-N 445.369 0.365 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837051812 KHNSBAKLAANEPJ-SCLBCKFNSA-N 442.925 0.720 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837374786 JSIMQXGGOJBJJO-YZVOILCLSA-N 432.949 0.558 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837711449 ISVMLWQKLUZKNW-KRWDZBQOSA-N 428.587 0.647 50 20 ICGD O=C([C@@H]1C[C@H](O)CN1)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1838620320 GKLCXPXIOYJRSL-CQDKDKBSSA-N 436.322 0.398 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1844692169 PAARFLUEAGJJOZ-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(Cl)c1OCC(N)=O 14290828 OBZAQNPZLNNHBW-OAHLLOKOSA-N 435.820 0.814 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726444897 QXQIZZJBFLZKQH-LLVKDONJSA-N 426.495 0.936 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cccc(OC(F)F)c1 728545059 VTNAPMNPTIZSJZ-UHFFFAOYSA-N 425.369 0.894 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CSCC(=O)NNC(=O)c1ccccc1OC 731491572 UOYPDCHLFUPIPP-UHFFFAOYSA-N 446.485 0.659 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CN(C)CCN1C 732238318 TZCGVFVTWFBRHH-OCCSQVGLSA-N 428.331 0.793 50 20 ICGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 733663233 WGRJFQLCAZAQTG-ZDUSSCGKSA-N 446.551 0.238 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC1CCOCC1 735245893 PYFIDLHKWMRIDR-UHFFFAOYSA-N 439.534 0.604 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 741268826 ZLUUHUUAKJXROU-OAHLLOKOSA-N 430.469 0.910 50 20 ICGD NC(=O)c1nccnc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 746095350 PAWGSDJNWKVXRH-UHFFFAOYSA-N 443.423 0.409 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2oc(C(C)C)nc2C#N)s1 746185198 QVQGUQILLGUKJJ-UHFFFAOYSA-N 440.507 0.789 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1 747691441 FCOKNPFBHVSPSZ-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD Cn1ccnc(NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1=O 747941382 BQAFWJAFBXJQRG-LBPRGKRZSA-N 436.450 0.233 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)s1 748445132 OUODCRJLVMDLNG-UHFFFAOYSA-N 431.540 0.231 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 752510040 QFEBZXXRGAGNHV-UHFFFAOYSA-N 429.451 0.212 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)ccc1F 752582688 CGWPJHOFDLZJPE-UHFFFAOYSA-N 444.466 0.046 50 20 ICGD C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758036361 QSIVZQDNMSFYGW-RYUDHWBXSA-N 427.483 0.530 50 20 ICGD CN1CCN(CCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@H](c2ccccc2)C1 758684464 LSWORCNWACCQLU-SFHVURJKSA-N 439.520 0.729 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 759112677 ZXMXPSJODRZBAH-UHFFFAOYSA-N 446.464 0.791 50 20 ICGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 760133841 XEVKDKZXBKWITA-DLBZAZTESA-N 440.522 0.609 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1nccc(N2CCOCC2)n1 762850166 DPXCMPNGHRBFGK-UHFFFAOYSA-N 449.537 0.583 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 763662151 VAARCTJZYKMTCV-UHFFFAOYSA-N 427.417 0.051 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763813286 JUTGBLCPXUZAKW-UHFFFAOYSA-N 446.427 0.712 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763848470 CBZLMYPTOJDDNE-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1C 763848506 INVVRMFECOAHHA-CYBMUJFWSA-N 434.474 0.504 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1 763860455 HGEIYNCZZKUIDZ-ZDUSSCGKSA-N 428.445 0.667 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccnc2-n2cncn2)cc1 763861871 SEUQXPDVDLZTNN-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)cccc1C(N)=O 763873674 XHWIJEDTEJYVJK-GFCCVEGCSA-N 442.428 0.550 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(CN2CCOC2=O)c1 764003424 CXLNQEMFLYTBOR-UHFFFAOYSA-N 440.412 0.810 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1Cl 764153073 IGNZBVJDNOXHNV-INIZCTEOSA-N 447.831 0.981 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CCC3CCCCC3)cnc2n(C)c1=O 764215562 YUWNTZOMNKWQSD-UHFFFAOYSA-N 430.465 0.079 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C1 764232668 SUXUYKSOLMCDAA-OLZOCXBDSA-N 439.538 0.070 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2scnc2C)cc1 764248156 ZRYFYDSWGFQELU-UHFFFAOYSA-N 439.519 0.882 50 20 ICGD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764424033 GDGOOGZCRODOCK-INIZCTEOSA-N 448.476 0.876 50 20 ICGD COC(=O)CCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 764450489 QQRHVWSJEGRBEN-UHFFFAOYSA-N 441.506 0.131 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)CC1 765601297 KWIYFDYFDSZCHA-UHFFFAOYSA-N 435.506 0.908 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1ccc2nncn2c1 766669775 SWNCILIGMBGPFE-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD COc1cccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1O 767893070 ZQYDIDJPRZOTCL-UHFFFAOYSA-N 428.449 0.081 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCn3ncnc3C2)cc1 771625088 JFHDCVJJFFOHQY-MHWRWJLKSA-N 446.471 0.975 50 20 ICGD Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccccc2O)c(C)s1 772623415 FMOQHQVSMQAFSZ-UHFFFAOYSA-N 442.519 0.758 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2nccnc2C(C)C)s1 772843009 CMJAKLVOJXGNST-UHFFFAOYSA-N 426.524 0.719 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 778616618 GMVWCERJWXISRE-UHFFFAOYSA-N 438.504 0.803 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 780818689 WCWOKOMPBPRHML-UHFFFAOYSA-N 425.445 0.872 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(OC)c1 782897263 MRXOUXPTAMMZSB-UHFFFAOYSA-N 449.489 0.705 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2cccc(Br)c2)n1 782968173 YYWBIQARDKKNQB-UHFFFAOYSA-N 449.265 0.308 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cncc(Cl)n3)cc2)CC1 783260307 YOIREEBTSVEFTL-UHFFFAOYSA-N 431.884 0.528 50 20 ICGD COc1ccc(NC(=O)C(=O)NN(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 783434651 TUYBASGWPVKRFK-UHFFFAOYSA-N 448.501 0.822 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccnc1OCc1ccccc1 784002191 AMUODYBYMBDGHO-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 784004700 JUUDIQNRMVOJFA-UHFFFAOYSA-N 430.421 0.589 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 784379463 MEIRMRGQKHUGNE-GASCZTMLSA-N 446.416 0.464 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 785061625 ZDZJLUZAVZCSIM-UHFFFAOYSA-N 435.444 0.583 50 20 ICGD O=C(COC(=O)CC1(N2CCOCC2)CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 786094771 AXEHEJBPVBQUQH-UHFFFAOYSA-N 434.449 0.934 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 801106255 RGXIIIUJAAEUIO-CYBMUJFWSA-N 429.389 0.887 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 815692683 YJFYGDURITWLAX-JTQLQIEISA-N 445.386 0.776 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815751510 CEGGCWOQIOQNTE-UHFFFAOYSA-N 449.533 0.959 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc(-c3ccco3)nc12 913081473 QNGPHIHCTQSFLL-INIZCTEOSA-N 448.395 0.689 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc2c(c1)OCCO2 914720836 VXWSXPDIQUTFCT-UHFFFAOYSA-N 437.430 0.147 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1OC 914974043 PSGDPZGBSNROQN-NSHDSACASA-N 447.366 0.419 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 916376351 KLGCNQSKGKLAPL-UHFFFAOYSA-N 437.453 0.706 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2C1 916636222 VLDVLFUPFSHTCH-WCQYABFASA-N 442.563 0.510 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 918548638 HSNHRUURZCSRTN-ZDUSSCGKSA-N 445.567 0.111 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c(F)c1 919954255 GRFHXMQLKWXOTP-UHFFFAOYSA-N 431.423 0.549 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cn1 1332386249 YUXMYYBEIXFLPG-UHFFFAOYSA-N 439.519 0.334 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781633724 VXXXVFYEHXLMIY-NRFANRHFSA-N 443.435 0.287 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997894 NHPLKVXXGHIQTB-OGHNNQOOSA-N 449.415 0.768 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1)C(=O)O 1781998401 SHMYOEHAHOZHTD-SFDCBXKLSA-N 434.331 0.346 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782108245 NKXUIHUUJFJCLE-JXXFODFXSA-N 429.945 0.767 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785810 UERCIRJGHUZQCH-LIRRHRJNSA-N 440.884 0.994 50 20 ICGD C[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CC1(F)F 1783142249 YQWYQLXNRCEQKY-LSTHTHJFSA-N 436.264 0.539 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1783350078 ZTYCKALYRASCBD-JKIFEVAISA-N 428.331 0.918 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783530398 XETGWNYHDPPBHB-HUBLWGQQSA-N 425.345 0.280 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1783534685 NGQONXYPQZNXMF-APPDUMDISA-N 438.282 0.662 50 20 ICGD Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)nc2s1 1784085590 LNUYIXKBYIQWKZ-MXAVVETBSA-N 441.941 0.221 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785677942 PGYQWVKYIPDECU-DEOSSOPVSA-N 434.301 0.225 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CNc2ccccc21 1786876329 WPAYUFHHFJUKNF-CJFIXGCPSA-N 449.316 0.169 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986575 MFIPJWXEUMCLAK-NMVXXISRSA-N 449.316 0.458 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=COCCC3)[C@H]2C1 1791328471 RHWGUUOSMKQQQW-SKFHZHBLSA-N 443.504 0.794 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccnc(OC)c1 1793902621 LDQUMLYZBFEJPR-RCJHGTSTSA-N 425.913 0.866 50 20 ICGD C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439537 JGYMIHMKUYLXAK-GLPAEGGISA-N 431.493 0.301 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1796773218 HPDJISCDMZJBOK-XFIYOXNOSA-N 445.944 0.860 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 1799221596 PWFZGOYXAQCHSX-XQLPTFJDSA-N 444.444 0.908 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800785301 VMSZSBFHGBXQEM-NPJQDHAYSA-N 445.944 0.575 50 20 ICGD CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009231 SWZDADMLIPBPEN-CCWDJLKJSA-N 433.509 0.057 50 20 ICGD Cc1ncc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1801488716 DDCNGYZQIOREBB-DFBIAFCQSA-N 441.318 0.048 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801586577 YEIIQAVNCFOJQZ-SNOXVSQISA-N 431.493 0.015 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802255807 PZNHGEPFIVCMGU-LWASTNQWSA-N 442.321 0.598 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1 1805476222 KXQDKGNFJQXRSG-FPOVZHCZSA-N 430.273 0.790 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523378 UPPSMYFBORCCRW-OAHLLOKOSA-N 433.896 0.534 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359394 ISYSTIVQHCWUQK-AZUAARDMSA-N 437.305 0.696 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364462 QKRXAGFGXAXRSZ-SIKLNZKXSA-N 438.337 0.469 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814854987 YYQIUXGBBHOYMN-USBNGQNGSA-N 445.549 0.741 50 20 ICGD CCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354690 ARSMSYSFDXUJSB-CQSZACIVSA-N 439.306 0.579 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 1815795137 JUTSGXLLFQBUDV-IINYFYTJSA-N 430.490 0.546 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1F 1817470906 LSDJWNBAEWFIKF-HNNXBMFYSA-N 440.244 0.880 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnc1 1817474608 VYFWZJNHHMKKAA-KSSFIOAISA-N 436.281 0.853 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CC(O)C1)CC2 1819792886 DGCDZXZRKAYREP-HSOILSAZSA-N 430.490 0.138 50 20 ICGD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)cn1 1819795977 WTYMBILHQIKZCL-NSHDSACASA-N 440.489 0.415 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826377818 XVFIENLFWSQZGK-IBGZPJMESA-N 430.310 0.553 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733739 SEIMCVUUHAWXJF-WIYYLYMNSA-N 435.908 0.767 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834616217 FKWLKQZFOZGKCC-KXBFYZLASA-N 427.885 0.876 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798177 ZIGOFWQYVJLHSK-FCHUYYIVSA-N 439.365 0.598 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1835755852 QDWCSNXZYYUSAM-DLBZAZTESA-N 449.907 0.587 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932145 PYDAVTCQNOQMNL-WZONZLPQSA-N 446.353 0.653 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cscn3)CC2)CC1 1837491644 XSIZOLQIKLAKJO-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683537 JEGGBYJKTDJTML-WMLDXEAASA-N 429.315 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838975735 OJWKVOFGSGCBKJ-YWZLYKJASA-N 442.896 0.725 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840031270 KVOLOAWOXWXBJL-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840151414 AQXQNESGCGAQAE-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1840152711 QGQOZWYRZPHHBZ-HNAYVOBHSA-N 427.885 0.419 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840153737 YUSXHGXRCIZWCN-DNVCBOLYSA-N 437.884 0.282 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015221 UPOJMUDHAKBNDO-WBVHZDCISA-N 428.294 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1Cc3ccccc3CN1C)C2 1846384183 NYSLTKAGUNTFAV-LJQANCHMSA-N 427.549 0.620 50 20 ICGD CC(=O)N1C[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)Oc2ccccc21 12804608 ANPHRBZILAHUCK-MRXNPFEDSA-N 431.474 0.555 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16232627 DIJXJLIDTAAKCB-UHFFFAOYSA-N 445.505 0.240 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OCC(N)=O)cc2)c1 28196096 UQJCFIYYUSWGKP-UHFFFAOYSA-N 448.501 0.656 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2OCC)c1 32199308 MREZCHHQIGMSPA-UHFFFAOYSA-N 431.470 0.837 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCOC1 727705559 VCXQETIVEMSAJY-MRXNPFEDSA-N 425.507 0.214 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372892 VHPABIURVNHNFE-RISCZKNCSA-N 447.966 0.774 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc(C#N)c1 728828070 IUDSCTRXRJBLCG-UHFFFAOYSA-N 444.469 0.663 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 732259445 DPJVCTZIHFXGGZ-HUUCEWRRSA-N 426.539 0.554 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 732304102 HWHLQBXSZHRLQM-HXUWFJFHSA-N 428.470 0.927 50 20 ICGD O=C(NCCN/C(O)=C1\N=CC=CC1=O)NNC(=O)c1ccc(Br)s1 732466119 LSILQFZCNHKALH-ACCUITESSA-N 428.268 0.981 50 20 ICGD NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccccc3)CC2)cc1 732878874 ZODWLSOMPWNURO-UHFFFAOYSA-N 438.531 0.878 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)COCc2ccccc2)c1 737926404 GQWHOGNQFPQJMV-UHFFFAOYSA-N 448.501 0.148 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 741207563 GSWJDBBKUDHHLB-OAHLLOKOSA-N 428.497 0.891 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 742037000 SNRBYJTXEGRDLL-DGCLKSJQSA-N 441.485 0.458 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 743588529 BGXNJCYBICJYOF-UHFFFAOYSA-N 441.496 0.826 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CSc2ccc(S(N)(=O)=O)cc2)c1 744891515 FKHGEUCXPGNELU-UHFFFAOYSA-N 437.499 0.739 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c2ccccc2c1=O 749715626 VHEVQLXBXBLGOG-UHFFFAOYSA-N 443.485 0.841 50 20 ICGD CN1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 750653584 WPQGVMUJLMKAIH-MRXNPFEDSA-N 445.501 0.340 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 750659647 JEWACBLWVKYGKP-ZDUSSCGKSA-N 425.511 0.280 50 20 ICGD CN1CCN(CC2(C)CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 755243499 XFZUHBOUCDXUMF-UHFFFAOYSA-N 432.525 0.705 50 20 ICGD COC(=O)COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 755793053 BAERKHWIMIOCRS-UHFFFAOYSA-N 425.401 0.952 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 756858297 NAHBBDGYUPYTES-NSHDSACASA-N 435.462 0.668 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(CC2(C)COC2)nn1 759764532 NFOANYLHXTVWRZ-UHFFFAOYSA-N 437.840 0.595 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763550518 BRNRWRXBSBEZQV-UHFFFAOYSA-N 448.457 0.967 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1NC(C)=O 763569742 BDPFZOLDGPUVTA-KRWDZBQOSA-N 428.401 0.580 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763892284 WSUTYCZSJQEYHG-UHFFFAOYSA-N 444.492 0.533 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n[nH]1 764098005 IRSOPJNYPLVACP-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2C1=O 764204350 MFYUCPCMPQUWEI-UHFFFAOYSA-N 447.448 0.303 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccccc1 764330375 VQHUSLDJGUZFME-INIZCTEOSA-N 425.445 0.181 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cccc21 764381911 BTGWMYBQRWQHLU-UHFFFAOYSA-N 426.414 0.983 50 20 ICGD C[C@H](C(=O)NNC(=O)COc1ccc(Br)cc1)S(=O)(=O)C1CCOCC1 764528640 QWBTZXXEARMIPQ-LLVKDONJSA-N 449.323 0.958 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc2c1=O 768901403 WKFDVOVOXFQUSK-OAQYLSRUSA-N 434.412 0.063 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(O)c1 769720719 VGNDDZVTPCNJOJ-NSHDSACASA-N 428.467 0.870 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 770356099 SGLAFCAXKYOOCI-UKRRQHHQSA-N 426.495 0.219 50 20 ICGD O=C(NCc1ccc(Br)cc1N1CCOCC1)NNC(=O)C(=O)NC1CC1 770416127 BECSJPFHGMHMLL-UHFFFAOYSA-N 440.298 0.395 50 20 ICGD Cc1cn2c(=O)c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc2s1 775897086 VTFPGYZXJWLUAX-AWEZNQCLSA-N 444.425 0.209 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ncn(C)n1 780702592 CMUKAMWZXDFILH-ZDUSSCGKSA-N 435.510 0.695 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 782121711 SYWCRCIWEPZZPY-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)C[C@@H](C)O1 783427792 QGAOSEKROBYCLU-QEEYODRMSA-N 438.550 0.432 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 784002903 MHWDTQDZSMGCPB-UHFFFAOYSA-N 449.467 0.598 50 20 ICGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004157 JLKSGHOIHQZLSY-UHFFFAOYSA-N 443.460 0.490 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794509091 YNFVWWZNDWFHSB-ZETCQYMHSA-N 431.323 0.419 50 20 ICGD CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 795527001 HPQIQMSTLBWTCS-LLVKDONJSA-N 448.295 0.548 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 796570170 FJQFJLOEPHVGRK-UHFFFAOYSA-N 429.470 0.029 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)nc21 798327600 RNWVQCZUSHHURU-UHFFFAOYSA-N 443.445 0.897 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c(OC)cc1Cl 803395179 CPGANLCPDGOVSE-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD O=C(CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)NNC(=O)C1CC1 805748314 MYVNNQBIHMOGFL-UHFFFAOYSA-N 431.518 0.489 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 806626395 SCBZIHICLWEOJF-UHFFFAOYSA-N 438.444 0.776 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1 812728035 FZYGCDCWAOITND-UHFFFAOYSA-N 448.473 0.637 50 20 ICGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl 814646933 YGRLTKMFQGGFAV-VIFPVBQESA-N 427.874 0.718 50 20 ICGD Cc1c(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nnn1-c1ccn(C)n1 815734537 LWDJQPYALSVRIU-UHFFFAOYSA-N 446.493 0.087 50 20 ICGD Nc1nc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)nc(N2CCOCC2)n1 816806239 WSKFMPJKRPNSID-UHFFFAOYSA-N 449.471 0.797 50 20 ICGD NC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 913129706 VAENGTHGUAHANB-UHFFFAOYSA-N 425.854 0.570 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914714688 AXYGZQURQHCDOE-LBPRGKRZSA-N 441.437 0.668 50 20 ICGD COc1ccnc(NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)n1 914762828 ODIQSPPGLBDGIF-CYBMUJFWSA-N 437.478 0.170 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H](CN1CCCC1=O)c1ccccc1 916463305 WCOHMQYAXYLMAI-GOSISDBHSA-N 434.460 0.970 50 20 ICGD CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 919889738 SGSMESJIXSTVOT-OLZOCXBDSA-N 441.901 0.462 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 920292283 ZZUVCVAKFLMVMZ-DAIOKFOQSA-N 436.534 0.420 50 20 ICGD C[C@H](OCC1CC1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920808324 YKWBATHYSSIVMU-HNNXBMFYSA-N 439.534 0.603 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cc1 920811653 KRTAWMDPKVUKAK-UHFFFAOYSA-N 437.456 0.940 50 20 ICGD C[S@](=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 927716741 FDOIUUMGZHRGAE-ZOKDDAQRSA-N 432.454 0.709 50 20 ICGD CN(C)N(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1324100558 HNCCRCPFZZDHFG-CYBMUJFWSA-N 428.536 0.073 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1779032698 RVDYDWRCJOXMEE-IBGZPJMESA-N 433.852 0.689 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1780702659 ZMTROPWXJMJYQH-WOSRLPQWSA-N 425.850 0.243 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781098803 NONCMSLBRZOKBA-MPGHIAIKSA-N 431.375 0.236 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782179865 NUXLXBJLJTWYDS-TUFGIGEDSA-N 434.917 0.370 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783246381 KOYWHNBYTSLPQI-ZQDYSYBYSA-N 426.322 0.636 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783375156 HIYGWGBUZLVVCN-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1783565549 MYZYKBKMAUSONF-UZLBHIALSA-N 449.301 0.911 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1783934917 LFYVHXMTZDSCLH-NRFANRHFSA-N 434.493 0.217 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1785916591 QSGOUOCHNVJEJP-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1786406052 OLWBNTWUMNOYLL-NHCYSSNCSA-N 429.271 0.266 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(C)o1 1786984629 SEYUIQSKNCKUSH-VDGAXYAQSA-N 426.278 0.483 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21 1788610211 PDRKAFVKGKKEJM-IXDGSTSKSA-N 441.463 0.731 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)N1CSCSC1 1788682709 MUBGAIJFBCULBI-QTVXIADOSA-N 438.015 0.609 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(F)(F)C1 1792602412 IAAPRROZXFDQGL-BWMNKHHJSA-N 437.447 0.755 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792716139 QWTYAUSSGZXSGE-PEZLKRJXSA-N 426.897 0.572 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 1794144225 ZCRFNBCDZPNDHE-QMIVOQANSA-N 442.944 0.893 50 20 ICGD C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(F)(F)F 1796443713 CVVOGEFTPGUIIB-VUNLWGEISA-N 441.410 0.829 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(N)=O 1800518583 HZPNEGUKNDRNDO-BTTYYORXSA-N 436.472 0.350 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)C1 1800754662 TWWUVLCTABXWOP-ZAQNNHEOSA-N 431.327 0.949 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800757132 IUHWUIQZNNDTOW-KQXIARHKSA-N 438.282 0.422 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1800978174 NRZHZUISUJADDY-USZNOCQGSA-N 438.834 0.896 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1801006541 DWWXZPAUNXINJI-VDWHBMEOSA-N 425.309 0.428 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)Br)CC1 1801962365 HMVQQFFEVLMHHC-HNKHHVNMSA-N 429.359 0.572 50 20 ICGD CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1C(=O)O 1802333077 LUPRPPVJXHFZJL-QDMKHBRRSA-N 448.524 0.787 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802973484 MRNZKUVAUSKOFC-OXQOHEQNSA-N 440.504 0.826 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1806343403 VVHGBZFFNWAFOH-VNHYZAJKSA-N 425.283 0.981 50 20 ICGD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807093016 HWCPYYQHWVWITG-GHTZIAJQSA-N 438.337 0.469 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1)C(=O)O 1807201606 RVASZUMATWMGFT-JJRVBVJISA-N 441.326 0.935 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]2c2cccnc2)CC1 1808314678 ZECVNUJUEIINBA-QRQLOZEOSA-N 439.919 0.786 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808682254 AMPJBSIHFXCQME-UZLBHIALSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813321495 LYEUCLAALVJMDI-UTKZUKDTSA-N 442.524 0.142 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCO2)[nH]n1)c1ccc(B(O)O)cc1 1817470207 LSOCDOWZEUXRHO-QZTJIDSGSA-N 426.282 0.965 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1825355914 ZZIDAYAZAXDJFO-SFHVURJKSA-N 425.298 0.042 50 20 ICGD CC[C@@H](NC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827037962 JDGHTXWJOVTHMF-RTBURBONSA-N 430.553 0.916 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829093074 DQODKRHICBCLKD-AEFFLSMTSA-N 435.569 0.670 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1830325411 XFZUNYICSWFYIQ-SIIHOXLZSA-N 448.358 0.389 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830374182 AHOOVQLEPDEBGG-UMVBOHGHSA-N 435.338 0.889 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccc[nH]1 1832880235 DDUQNABYTZKUEB-SFHVURJKSA-N 447.319 0.395 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cnn1C 1834422607 CEPGOQITTUTWMR-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301385 MBAFHTBAWPOPIE-GMBSWORKSA-N 441.322 0.960 50 20 ICGD CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1836005560 QJXIXIWQAOAFTC-SFHVURJKSA-N 437.972 0.933 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716958 ALIBHYZAHPQPLO-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718885 GKSNWCCNPBUINM-QGZVFWFLSA-N 440.928 0.878 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837171354 KUNDXKFNMQLGLN-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838883454 GFKATVJEMZXEKX-OXQOHEQNSA-N 426.897 0.755 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200491 LYWCZWGLKWNKBL-DVOMOZLQSA-N 448.293 0.061 50 20 ICGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839882561 MGJKVLYDQSALCK-GUYCJALGSA-N 434.331 0.000 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840031351 NARRUQUBKFPSOK-MEDUHNTESA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107626 UKIWGRIANMHDFL-KBXCAEBGSA-N 446.342 0.239 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842216984 YQCGWXHWJGQHEJ-WYMPLXKRSA-N 439.432 0.126 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263391 ZONAGZFDOPHIOU-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C 731477186 SXFCYTGALUITIW-PWDRBQJJSA-N 436.534 0.420 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2ccnn2)c1 732049260 IRHLMWLMBQEFSY-UHFFFAOYSA-N 444.473 0.939 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cn1 735511634 YRIQMJZHLYRPBX-INIZCTEOSA-N 430.465 0.238 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CC1 737063980 ARONPEOUJUDTHQ-UHFFFAOYSA-N 447.536 0.908 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 741884923 IWRLYQBFXSSWMH-UHFFFAOYSA-N 432.502 0.689 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 743576239 WFGYMZXNRMWGGB-HNNXBMFYSA-N 433.446 0.461 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccccc2)[nH]n1 746385614 GKZJKLCEKKPRDG-MRXNPFEDSA-N 426.477 0.018 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOc2ncccc2F)c1 747450137 NDMSJWJOLHTGDK-UHFFFAOYSA-N 425.442 0.494 50 20 ICGD CS(=O)(=O)c1cc(N)cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 747721758 PJUOXHLFCAZHIN-UHFFFAOYSA-N 425.850 0.944 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 748629142 ZZLGWFBBSGHECU-AWEZNQCLSA-N 441.916 0.371 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCC(=O)O 748690563 XYVUBVHPHRGWPB-UHFFFAOYSA-N 432.418 0.057 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 754416710 KTWGRUNSPLDQTR-UHFFFAOYSA-N 436.515 0.976 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OCC(=O)N(C)C)c1 756204096 UCEDFAPIXGODSI-UHFFFAOYSA-N 438.448 0.904 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 756351403 JSIYURKKQKVDNJ-UHFFFAOYSA-N 437.453 0.706 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 756386762 JGPVPVNBCYIUSY-GOSISDBHSA-N 441.440 0.564 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 756545869 AUUXBYQJFXHUHZ-CQSZACIVSA-N 439.476 0.337 50 20 ICGD Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 757643547 AGRRMUAXGDAZJY-UHFFFAOYSA-N 441.487 0.567 50 20 ICGD COC(=O)CCc1csc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 757724743 KAQJNORWMZFWGY-UHFFFAOYSA-N 430.446 0.962 50 20 ICGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccn1 758829354 YMDIJEQTDFJOMT-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD COC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nc1 759721388 ISBNRSRESJSWMV-UHFFFAOYSA-N 436.494 0.454 50 20 ICGD COC[C@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(N)=O 760083342 OJENSBOSVWJPMT-RQPMMQJISA-N 444.879 0.602 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 762847335 GAGTZYQIZXOWBI-LHSJRXKWSA-N 445.524 0.893 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1-n1cnnn1 763525702 BBELXKJPZQHRRH-UHFFFAOYSA-N 447.411 0.929 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 763648805 XCIBZDXUOJHPNG-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)ncn1 763696161 SOSICIBQABXTJL-UHFFFAOYSA-N 438.238 0.550 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 763734319 JOCWUGFPSUOVFM-UHFFFAOYSA-N 447.448 0.412 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 763862648 YXMHMBNNKIVOKC-CYBMUJFWSA-N 440.456 0.925 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1COc1ccccc1 763997332 JTSWOEGQMYBMCO-OAHLLOKOSA-N 431.470 0.786 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c(O)c1 764108340 GXKZWRCQLFZWGP-UHFFFAOYSA-N 439.472 0.488 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cn1 764138399 DBDQLJRAPHRVKZ-UHFFFAOYSA-N 431.449 0.519 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 764203433 HUFGBKRXCRANDB-UHFFFAOYSA-N 439.538 0.287 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 764204015 HDLRFIDLXGWRSE-UHFFFAOYSA-N 432.441 0.053 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 764231745 PTTWYGHJOVPYLX-LBPRGKRZSA-N 448.505 0.163 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764313846 NHLINJQTLZONTA-UHFFFAOYSA-N 444.419 0.447 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cc(F)ccc3s2)n(C)c1=O 765731908 STSVOTAVJBWINN-UHFFFAOYSA-N 430.421 0.249 50 20 ICGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733874 RYUNLDRHDPRQHY-KRWDZBQOSA-N 435.484 0.931 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765759912 YGWNKZSCUXCHFC-AWEZNQCLSA-N 430.958 0.286 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767456052 AXMYRPRABBJNBM-LBPRGKRZSA-N 441.437 0.574 50 20 ICGD Cc1csc2ncc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)n12 776463197 OJZFGPULPPLTLM-UHFFFAOYSA-N 431.386 0.591 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C[C@@H](C)O1 779371426 SFQZMJXLUPJNNH-SFUJAXRZSA-N 427.571 0.359 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)COCCNC(=O)c2ccccc2)cc1 784671683 SSBDBOSTHLRDGD-UHFFFAOYSA-N 434.474 0.689 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 786416645 HNFQVOCLKIRIGT-LLVKDONJSA-N 445.314 0.648 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 788165391 BQJCINXFHMJLTQ-UHFFFAOYSA-N 437.298 0.537 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cccc21 797369041 MQJOLOOEQVXOGR-UHFFFAOYSA-N 441.400 0.144 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307406 SHAUHKKESUEEFI-QGZVFWFLSA-N 436.476 0.678 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)CC1 803126129 ZHFLLQAOIHUCTQ-UHFFFAOYSA-N 436.288 0.977 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1F 810385001 UCVKHBUNHWZJJH-UHFFFAOYSA-N 435.339 0.922 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815569141 IVQLUJRJQJTEBT-ZCFIWIBFSA-N 446.791 0.262 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCN1CCN(c2ccccn2)CC1 817052465 CADGWQYULKQVSX-UHFFFAOYSA-N 432.550 0.987 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 825782266 VNYKQYMRKLJNJC-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD CCOC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)nc1 913554390 WYVULOPSTWOEAK-UHFFFAOYSA-N 446.533 0.535 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 914849067 OIFKEPLKBFSACL-HNNXBMFYSA-N 425.507 0.566 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 915486784 UZGKEHRVDRAIHS-AWEZNQCLSA-N 449.485 0.272 50 20 ICGD Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)C2 916318661 VLXIGHJTJSGKCP-CQSZACIVSA-N 431.522 0.888 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccn2)CC1 916390775 XIHPBFYHOFRTDP-GOSISDBHSA-N 426.477 0.504 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCc2ccc(-n3cncn3)nc2)nc1 916396018 UHEIXVNKKJFJMS-UHFFFAOYSA-N 445.509 0.914 50 20 ICGD CCc1ccccc1-n1cnnc1SCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889859 VQLUDRUBSPBUEW-CYBMUJFWSA-N 438.535 0.439 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3n[nH]cc3Br)cc2)CC1 1519716013 SDPZTHISUSBCCZ-UHFFFAOYSA-N 443.327 0.865 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778679805 BRJRHKWMSBSBJI-NRFANRHFSA-N 428.493 0.379 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1C 1779028401 KZPYTJDWHLLQBW-JOCHJYFZSA-N 438.488 0.454 50 20 ICGD C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371072 BDBKMXMZILLUER-DYESRHJHSA-N 447.561 0.732 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2cncn2)C1 1779503500 ZBDYVFZSHJQSOM-YYAJDYIMSA-N 427.933 0.682 50 20 ICGD CCc1noc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779638511 KQQVPYMKBCOOFX-OAQYLSRUSA-N 442.476 0.301 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1780098012 XWPHVRVCFGPUPT-IBGZPJMESA-N 445.388 0.660 50 20 ICGD CCC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098525 NWKKYAYXNZWXGU-FQEVSTJZSA-N 433.417 0.943 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782273527 GRHFOYVXXWTGBZ-HNSFDTNUSA-N 430.343 0.810 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782565887 OHYVTLFWWXHNFD-CKEIUWERSA-N 428.331 0.966 50 20 ICGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1OC 1784092965 OHKYWNXCBICELU-ABHRYQDASA-N 427.885 0.292 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3onc4ccccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786981721 ISRQAYYKORPVBX-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]3C2)nn1 1791254463 USMRPQHMEVXPBV-YXWQFLTLSA-N 426.901 0.722 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)o1 1791291282 RIHMYOCEKCXJMG-ZOBUZTSGSA-N 449.508 0.204 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2)c1ccc(B(O)O)cc1 1795735290 WFMNHQNWRGUILB-HBCWATKFSA-N 446.671 0.676 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1OC 1796188438 GLFURCDDXXVGTD-REPLKXPHSA-N 438.289 0.949 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(O)c(O)c(Cl)c1 1796189352 BOFZRBOCHREVCX-MUJYYYPQSA-N 444.680 0.997 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1800977113 IZDMWINYOHYPIA-VZAMPYOESA-N 427.841 0.757 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802682413 LVBOAMDPQYKDBU-HLLBOEOZSA-N 425.917 0.612 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnc[nH]2)[C@H]1c1cccnc1 1805579151 RPFCZPAPTMYZKA-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccn(C)n2)[C@H]1c1cccnc1 1805735117 ZTLHPDXYVFXISG-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1 1806300515 FPKBERGHUUQXHG-UHFFFAOYSA-N 431.537 0.603 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n[nH]1 1809974961 KPCPHNIACMNZAE-UHFFFAOYSA-N 438.293 0.451 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1 1810302078 FNWMOXSDWJPFHJ-XJKSGUPXSA-N 436.432 0.097 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(F)n1 1810754485 RXDXNBISKUHMCN-DYESRHJHSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812344889 DLFFLINGMJHMFQ-GJYPPUQNSA-N 433.896 0.598 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813067788 DLVKACKWRHXKFH-YLJYHZDGSA-N 431.537 0.887 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816752319 YSOVWDJFLCYFRT-SXSDINLZSA-N 440.265 0.515 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470324 OLKBSRBVVFVMOR-IXDGSTSKSA-N 428.298 0.802 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncnc2)[nH]n1 1819402197 UFHLPKRKIVYFAF-INIZCTEOSA-N 435.448 0.818 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)nc2cccnn12 1821261350 CSBJGGYACBEVHD-CABZTGNLSA-N 448.892 0.372 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826076827 FQIJNAFLTQMYJC-GPHJXTMHSA-N 433.914 0.925 50 20 ICGD CC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084073 ZBJCSICFBINKLG-LBPRGKRZSA-N 438.554 0.343 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827053536 SXDZJUARZHMWQR-LJQANCHMSA-N 442.321 0.553 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827698390 ZZIPTNDQUXBPGT-VQIMIIECSA-N 437.585 0.846 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1C 1830537661 MBCKKUAMQRIJAF-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD CCOc1ccsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720279 VSYCZDKHADTXKJ-FZKQIMNGSA-N 432.926 0.817 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831205856 VTTUADJHYYNIMV-KDOFPFPSSA-N 448.358 0.533 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831340141 BEBSCYVQCPUKEM-CVEARBPZSA-N 445.365 0.114 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833246514 IIXREIXLZUHMDQ-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833529538 UFDDZRNDDNMZDY-MRXNPFEDSA-N 425.574 0.214 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cccc1=O 1833873336 VJAMSONAWVPZLY-PBHICJAKSA-N 446.273 0.146 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)s1 1836084716 PXCQGTRCAONZMS-BZNIZROVSA-N 447.355 0.629 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836656174 YJFWEINSGCOMJO-MDKPJZGXSA-N 438.908 0.700 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714415 UREYSSJTOKIGJQ-CZUORRHYSA-N 438.974 0.265 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)ccc21 1837148913 BUXFIZHYWZZRQO-BEFAXECRSA-N 425.844 0.534 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837370635 RJTFYJZBEABZDY-CXAGYDPISA-N 446.266 0.987 50 20 ICGD C[C@]1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCCN1 1837920277 VFJBJRRRXGREGZ-HSZRJFAPSA-N 443.353 0.121 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839148978 PJHLTWLXSNSBSZ-NHYWBVRUSA-N 429.823 0.139 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149952 XDPZLSIQAKNWNY-DHJFXDNESA-N 448.347 0.538 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839152127 OMZFORYVCPEANE-RTBURBONSA-N 446.331 0.541 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198203 XAXXWJDQGSDWED-CZUORRHYSA-N 447.261 0.246 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840034472 MYJMQSIOFQPYOI-BZNIZROVSA-N 445.270 0.776 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc(F)c1F 1840702951 BIJHQXFRPCTTIV-KXBFYZLASA-N 432.851 0.943 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCC3)CCO2)C1 1840847543 SHXFYXVAUJYJIE-ZHNJOBQTSA-N 445.520 0.767 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)C[C@H]1CO2 1841352300 GXLBKDHHUVNSFE-MNVSYLFESA-N 443.928 0.568 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010339 FRHGXHLWTUNYAG-HNNXBMFYSA-N 445.325 0.344 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)C(=O)C1 1843367616 QVCZFOFLCFFJGE-HNNXBMFYSA-N 446.907 0.804 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C1CCC3(CC1)OCCO3)C2 1844264958 CMQSHDMKYZXJAH-UHFFFAOYSA-N 443.504 0.435 50 20 ICGD CC(C)OCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038209 FCHCQMKUUHDQAQ-UHFFFAOYSA-N 431.537 0.961 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 14770890 HIOSCUYDKAZYNN-HNNXBMFYSA-N 433.486 0.975 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 26075098 XHRFEMKTUYZNNX-UHFFFAOYSA-N 425.264 0.764 50 20 ICGD CCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 104560009 DSSWHTBQVVRPPT-SFHVURJKSA-N 430.413 0.995 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1 727098517 BQTNKUSDRJWHPR-OAHLLOKOSA-N 438.550 0.848 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 727364193 NYURQJOQRMUBPU-HNNXBMFYSA-N 442.563 0.465 50 20 ICGD O=C(COC(=O)c1ccc(Cn2cccn2)o1)NNC(=O)[C@H]1COc2ccccc2O1 728325425 OFKNQKWYROOWFP-QGZVFWFLSA-N 426.385 0.669 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1 728847827 QZJJCDZDGLCYFA-UHFFFAOYSA-N 444.517 0.595 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 731454047 LTPAFWCYQBYINU-UHFFFAOYSA-N 430.402 0.654 50 20 ICGD O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733123312 YSRCJCPUWQTXRO-UHFFFAOYSA-N 430.398 0.892 50 20 ICGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)N3CCOCC3)cc21 745834543 VBPBNZMVJVLJSK-UHFFFAOYSA-N 447.311 0.593 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)C[C@H](C)O1 747324776 OFZNTHICQSNIKR-GJZGRUSLSA-N 432.502 0.883 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 748610142 DBXUBHPMJYUHCJ-LXOGICJWSA-N 443.428 0.677 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2c1=O 749399039 DWPXDXFBLAANIP-UHFFFAOYSA-N 446.423 0.780 50 20 ICGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 756905437 XFGRCHDOXKPSMM-WMZOPIPTSA-N 439.534 0.745 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C[C@@H](C)O1 757408944 XLBQIAZFCKWBRL-TXEJJXNPSA-N 434.478 0.130 50 20 ICGD CN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)c1ccc(Br)s1 758835934 ZMJNEKASYZHILG-UHFFFAOYSA-N 440.279 0.764 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759533246 XDEKEPFDODXOJO-CYBMUJFWSA-N 431.515 0.015 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn2)CC1 763467428 VGPYBVIAKUTQBD-UHFFFAOYSA-N 449.556 0.969 50 20 ICGD O=C(NNC(=O)c1ccccc1Br)C(=O)Nc1ccc(-n2nccn2)nc1 763482056 DIAQUKQBZQOXQV-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1NS(C)(=O)=O 763536892 WZHDHKLHLOAMBO-UHFFFAOYSA-N 445.457 0.948 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1F 763804953 PMSUUNBXXSRJLN-UHFFFAOYSA-N 447.379 0.601 50 20 ICGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763825134 QHTHZCFHBCWDOI-OAHLLOKOSA-N 425.445 0.411 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763866604 QATMUPGKZFOBIF-LBPRGKRZSA-N 442.407 0.264 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 763866657 XKAYLBVQUILBPI-AWEZNQCLSA-N 445.451 0.919 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)n1 763890642 DLHIDOSQCVSDGC-UHFFFAOYSA-N 426.477 0.958 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764166067 FHSWTEHYSNCEMH-UHFFFAOYSA-N 439.428 0.293 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC(F)F)c3)cc2)c1=O 764260128 PLPWOSULAUMLQY-UHFFFAOYSA-N 446.370 0.572 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 764326281 FRNAWQLUYQYGMY-UHFFFAOYSA-N 427.145 0.692 50 20 ICGD CC(C)CN1N=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1=O 766631540 NGFGIULRTRQTNT-UHFFFAOYSA-N 449.533 0.867 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767239704 LWGHVDQZMRXIRC-INIZCTEOSA-N 447.513 0.904 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 772968950 IWPRRXFKCNGTQO-LLVKDONJSA-N 428.873 0.896 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 774009712 SIEIZAYAWKROLK-LLVKDONJSA-N 433.852 0.990 50 20 ICGD COC(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 778512201 MYLHSOWUVAIHAH-KRWDZBQOSA-N 428.397 0.546 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)[C@H](C)O)cc1 779544227 IYRCPUZZYKVJDU-SUMWQHHRSA-N 441.531 0.570 50 20 ICGD CCOc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OCC 783427261 QTLIFTQCNNEYID-KRWDZBQOSA-N 444.466 0.529 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 792569700 HLPFYNRWSCMUSW-UHFFFAOYSA-N 435.414 0.545 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNc3nccc(N4CCOCC4)n3)C2)c1 792649486 KFCXPQIRMITSOH-KRWDZBQOSA-N 428.449 0.967 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 794182689 MQCAULGDYRFJQM-UHFFFAOYSA-N 444.451 0.853 50 20 ICGD CCOC(=O)C=c1sc(=Cc2cccc(CCl)c2)c(=O)n1CC(=O)NCCOC 799890260 FLJUTHFZBMKACN-UHFFFAOYSA-N 438.933 0.584 50 20 ICGD N#Cc1ccnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 806273137 RHSZCRQIEAUKOV-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 806974791 UFAXGPXZRDENQP-UHFFFAOYSA-N 443.416 0.852 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c1O 806977308 DELHZPYRMAERSH-UHFFFAOYSA-N 445.407 0.859 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNc3nc4ccccn4n3)c3ccccc32)N1 807033346 MWNHZBQSCJSLNE-KBPBESRZSA-N 435.444 0.208 50 20 ICGD COc1ccccc1-c1cc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)n[nH]1 807976154 MUARJDPZNFOCSP-UHFFFAOYSA-N 425.449 0.313 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902112 ODOQRUCJWVNDQU-JTQLQIEISA-N 434.877 0.903 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 812980267 MYUATYVBAYDHCN-UHFFFAOYSA-N 436.465 0.939 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCCC#N)c(=O)n2Cc1ccccc1 813403592 FFQKGPWAASJBDM-UHFFFAOYSA-N 437.460 0.269 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)nn1C 815566595 YQPRQZRQESMBDS-QMMMGPOBSA-N 425.243 0.439 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 915185503 CHQLMHIFGUCXPS-SFHVURJKSA-N 447.469 0.309 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)COc2cccc(C)c2)cc1S(N)(=O)=O 915597402 PLRODTRTGZNGGP-UHFFFAOYSA-N 425.438 0.559 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 916048913 XMUURIMDSLJNLL-UHFFFAOYSA-N 445.563 0.693 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 916377962 HTZKAEUPZYARAP-KRWDZBQOSA-N 445.398 0.978 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(OC)cc2)CC1 916383352 DXPNQVLEDJVMRI-UHFFFAOYSA-N 428.511 0.609 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 919788478 OWEPFOWLODSPOY-UHFFFAOYSA-N 448.439 0.657 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n1 1116296687 YVFIJYVQAMRZIO-UHFFFAOYSA-N 444.923 0.673 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)C[C@@H](C)O1 1318501464 ATAHUXSKMARYJG-HDICACEKSA-N 438.569 0.833 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cccs3)CCO2)C1 1779031702 WNFYNWDMWQMQJG-HXUWFJFHSA-N 429.502 0.433 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1779375345 KZOVXLVCTQVKEC-FZKQIMNGSA-N 444.319 0.616 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334010 UHXWGZASHKJGRD-DYVFJYSZSA-N 428.258 0.920 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(F)c1 1781597632 IIPXPYIVRNPNDC-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1782736893 ACCMWLFMEWAYTO-NEVJAFOQSA-N 429.502 0.004 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784084433 QVUCNDQJTCAXOY-HPEDKQMDSA-N 432.304 0.937 50 20 ICGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785223418 PSSLABOLHRBFFV-HRAATJIYSA-N 447.875 0.159 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)CC1 1785374998 JQSLBIGJUWSEHL-UZLBHIALSA-N 445.944 0.939 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980186 SHHIGMBSOXVNKG-ZIBCJSCZSA-N 440.280 0.671 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1ON=C(c2ccccc2)O1 1788516016 GRCGQWQVYBOPAS-STQRPAJPSA-N 437.880 0.301 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@@H]21 1788607749 DZQRFCVPDFBECZ-DRACIFKTSA-N 427.505 0.325 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813274 JITHONDXNHEWEQ-GMOBBJLQSA-N 430.259 0.695 50 20 ICGD COc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789072978 CFPUDKCNTKFRBV-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD COc1c(Cl)ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789338875 GWFXYGBJLDHPDH-IMIFBBOLSA-N 432.304 0.937 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790548597 WXOKEVXQIHHFID-CAVMOMJPSA-N 448.951 0.986 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1 1792849410 RHBYTSZRJKGKJH-ZZGVNVQHSA-N 427.505 0.756 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1nc2c(=O)[nH]c3ccccc3n2n1 1793112208 JHADRDITOQYKPU-OXIQGZBJSA-N 444.879 0.422 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891879 MHCVTSHPHPOXMG-RIHCJFGGSA-N 428.493 0.449 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(OC)c1 1799558023 SOAHTZTYTSNWQM-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(Br)c(O)c1 1799583564 IVTZBCAZKPNMOX-JLUCKKNBSA-N 447.713 0.958 50 20 ICGD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(C#N)c1 1800032187 WDKTYIMLITYRAE-WKCHPHFGSA-N 447.300 0.741 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1800643462 SOCBUPFGNAGQFJ-ZWUHOBOKSA-N 427.299 0.006 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC 1800962490 ULADJSWMHSFASO-IAFLNBNSSA-N 428.913 0.585 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)C1 1802262543 LHLHZBDBVKOEDI-TXTZMMAHSA-N 436.553 0.977 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2 1802840205 XPRRTHSMEQQQCY-SLBVQIDZSA-N 440.342 0.880 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncc(F)c1 1805845357 LCWVFBIEZOQANY-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1806911076 FRTFMQWZZNMBRS-CMKODMSKSA-N 437.972 0.325 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1807369502 MMMJJSHFUIKWTD-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374678 JBAZTJYSTPYGGJ-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(C)C 1809971989 FQEWEMXVNRIRAX-HXUWFJFHSA-N 444.337 0.799 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)cn2[nH]cnc(=O)c12 1814873264 LPYARMRRGVAQMD-ZIAGYGMSSA-N 447.883 0.960 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C(=O)c1ccco1 1815754818 IEYQKPQJCFZVMR-INIZCTEOSA-N 436.233 0.871 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](F)Cl)sc3C2)CC1 1817123062 OONRYFNNXUYTCQ-IAQYHMDHSA-N 431.921 0.754 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617224 IKZCZPHBJDHKSC-WDCWCFNPSA-N 431.356 0.951 50 20 ICGD O=C(CNCP(=O)(O)O)N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826096029 JGECUCLYVWBUAW-LURJTMIESA-N 431.238 0.584 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CS(C)(=O)=O)CC1 1826629698 GOEUADCWLFRTNE-MRXNPFEDSA-N 430.571 0.024 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831658572 XMRVPVCPCWDDHO-ZOCIIQOWSA-N 434.917 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(=O)n2C)CC1 1831872405 UXLNEDMPOVRUDS-GOSISDBHSA-N 445.564 0.992 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831876347 JSLCCYDJHOSUKZ-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832056507 MRLSNVCBQPDGRI-VKJFTORMSA-N 432.359 0.568 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(Cl)n3)CC2)CC1)[C@H](O)CCl 1833311703 APHVSYZVZOPELU-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572469 KAHYGWWCKYLWLD-SCLBCKFNSA-N 430.864 0.870 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834132821 OLLBLIPGEDVTBX-KXBFYZLASA-N 427.885 0.414 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1CCC=CO1 1835720938 YJLJMVOFAWYCGG-NRFANRHFSA-N 441.337 0.244 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717265 QKTGNEQCDGMDPG-YOEHRIQHSA-N 431.961 0.890 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717292 SOJXIVSQZJVLPJ-CYBMUJFWSA-N 444.834 0.690 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709978 BZEWDKJPXDUCPL-IBGZPJMESA-N 429.590 0.209 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837711451 ISVMLWQKLUZKNW-QGZVFWFLSA-N 428.587 0.647 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199203 KFKVAPQDAJSYBC-XJKSGUPXSA-N 448.245 0.253 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1839779738 MOLYVLLSXXHEDR-KSSFIOAISA-N 436.958 0.285 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839963215 DVIABJQCCHGXSP-WMLDXEAASA-N 427.299 0.720 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Br)CC)CCO2 1839963366 IRQWELNXPDNDDL-MSEFBISNSA-N 447.326 0.736 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006190 SZCYGGDXYUWMFF-PHSYYZNHSA-N 428.913 0.804 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840033912 UPVZVBUSVVGDMN-KCLICXKESA-N 444.326 0.061 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840036108 FLXBJCAWUIRJQQ-SUMWQHHRSA-N 443.298 0.095 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c1OC 1840188762 AOKONSMUHDSZEZ-SFHVURJKSA-N 448.303 0.973 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189140 ZFECQKYIEGXRFG-SFHVURJKSA-N 447.319 0.799 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189804 MMFWOUPZWZZIBD-QGZVFWFLSA-N 433.292 0.539 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725741949 WGSZZYZIQHZVRY-UHFFFAOYSA-N 438.531 0.611 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 726615051 WYVYDJQKCXKXDY-UHFFFAOYSA-N 444.819 0.309 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 728733577 YEKCILPDEFKYGM-UHFFFAOYSA-N 441.469 0.609 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 729277217 VVELELYFAPWZGH-LBPRGKRZSA-N 444.469 0.182 50 20 ICGD O=C(NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)c1ccc(-n2cnnn2)cc1 743251937 ZRTPWAHLPQFKQJ-UHFFFAOYSA-N 435.809 0.374 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc3c2OCCO3)ccc1Cl 751263953 QKHOHIMTHJJITB-UHFFFAOYSA-N 447.878 0.382 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 751564210 UUWMKLCCSZUYJT-OLZOCXBDSA-N 443.909 0.149 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n([C@@H]2CCS(=O)(=O)C2)n1 755534013 NPXGDFALNGSXTP-IUODEOHRSA-N 435.462 0.544 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(C)c1Br 756154908 JFDZRILXRVJSNX-JTQLQIEISA-N 432.296 0.587 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c2ccccc2c1=O 756517732 ZJKCZJBBWCWLSE-UHFFFAOYSA-N 448.436 0.669 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C 756682815 PWYZLFNZKJLIEU-GFCCVEGCSA-N 446.551 0.659 50 20 ICGD COc1ccc(C(=O)NN=c2cc[nH]cc2Cl)cc1S(=O)(=O)N1CCOCC1 757420126 NIFINECUNSTVQC-UHFFFAOYSA-N 426.882 0.943 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)C2=O 757720162 GEUXNAOAJPUYAG-WUUQAYSMSA-N 437.541 0.380 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@]12CCCO2 759211551 LVUBAPQYSAZSAB-IQUTYRLHSA-N 439.538 0.959 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)C2)nn1 762555552 BIZKFKXUIUCLJM-SNVBAGLBSA-N 440.258 0.847 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1OC 763682996 YSODTVRFCGXGGN-UHFFFAOYSA-N 430.417 0.358 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 763809676 ZBNOPKIANQIEIT-UHFFFAOYSA-N 447.386 0.920 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763871115 CYMKEUCDGJUKDJ-LLVKDONJSA-N 429.408 0.570 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(F)cc1OC(F)F 763916246 FHOWGVSESHBPJR-UHFFFAOYSA-N 435.322 0.803 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 764233715 DFELIGVWYKKIEX-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)c2)c1 764285838 NJWXNIMHCMBGLZ-UHFFFAOYSA-N 445.435 0.925 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764349088 HENDRCXKMRDRCF-UHFFFAOYSA-N 426.838 0.353 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764404594 MMLDGUCGIFETEO-UHFFFAOYSA-N 446.485 0.785 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cn3)CC2)cc1 765729409 RDHLFSVZPUSPIQ-UHFFFAOYSA-N 442.501 0.029 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)nc21 770407864 HQGLJYIGZUFJIF-UHFFFAOYSA-N 433.517 0.322 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)nc21 770985081 XSJHWSLJJHNCQI-SFHVURJKSA-N 428.384 0.118 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 771993252 KMMUYEYVMRMLFL-SNVBAGLBSA-N 431.449 0.650 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(I)c(F)cc1F 772036131 KYODNYGFHRKJDS-LURJTMIESA-N 444.197 0.765 50 20 ICGD COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 772948536 UAYYGYUAGJCANR-NEPJUHHUSA-N 447.373 0.348 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H]1CCN(Cc2ccccc2)C1 779767300 FIJQNCPAYBELAM-MRXNPFEDSA-N 430.534 0.585 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 783999472 OTJSTEIAVWKXQP-UHFFFAOYSA-N 426.458 0.771 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 784004433 NBCJWJMZACCLKC-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)N1CCN(C)CC1)C2=O 788165633 FBVFFCGDESMLDT-UHFFFAOYSA-N 436.557 0.892 50 20 ICGD Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 793367874 BMPQNPVZTDPOIY-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1C(=O)O 795285730 XXDFTUUCCXMZLE-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799249205 QZYYBLGTYFNQFK-LLVKDONJSA-N 446.302 0.885 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)CC1 803371972 LIDUYCZNNQHGMM-UHFFFAOYSA-N 436.288 0.977 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 807368756 KWDHUZGTNXQUES-UHFFFAOYSA-N 427.523 0.467 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810007658 MZWFXSXCOBOTOK-UHFFFAOYSA-N 428.417 0.511 50 20 ICGD O=C(NNS(=O)(=O)CCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 812269351 RMSFUXVGDSFZQV-NSHDSACASA-N 425.326 0.377 50 20 ICGD CCc1nnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 812598547 HFIVOOAKESLQJP-UHFFFAOYSA-N 440.555 0.258 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 815691450 QIJFBBRHCURTAY-QMMMGPOBSA-N 428.783 0.881 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 856532084 STEXFTUCVXLIDF-GOSISDBHSA-N 439.516 0.988 50 20 ICGD CCOC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc1C 914877994 MTFIBSANHSXLHT-KRWDZBQOSA-N 443.412 0.711 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc3c(c2)OCCO3)cc1 915894035 ALUKAJKAVARSEK-UHFFFAOYSA-N 448.501 0.917 50 20 ICGD CCNC(=S)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125040 AQDXHIOITBQDJF-CYBMUJFWSA-N 430.552 0.468 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 917109067 XMMKGSCXFKFBHE-UHFFFAOYSA-N 426.454 0.775 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919958107 XYKLYNMKYCIVCA-UHFFFAOYSA-N 445.453 0.842 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 920428157 ZUCCEGVRWNSKID-YVLHZVERSA-N 434.395 0.556 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1115989952 JGPGJKFJCAWNEJ-UHFFFAOYSA-N 432.573 0.441 50 20 ICGD CN(C)c1c(C=NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c(=O)n1C 1117484112 ZPKBFCQBPFAKHH-UHFFFAOYSA-N 436.513 0.247 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCC2)CC1 1321043743 WCWFYNPKSKCKJW-UHFFFAOYSA-N 432.543 0.931 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852795 SYGGNOBYMAWNRU-FRQCXROJSA-N 445.402 0.531 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1 1780507261 IVSVOXUKDMOFIS-NRFANRHFSA-N 446.671 0.916 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783531864 DMDXWFCAQYZSOI-QLJPJBMISA-N 427.255 0.402 50 20 ICGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)cn1 1786242960 BHARATFTMYYUBH-JYYRZZBQSA-N 431.262 0.769 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H]2C1 1788127827 SNGNDOIXGXPHRP-UBZAWFQNSA-N 437.447 0.755 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(C)n1C 1789120661 BMEZDRAUIGQAIG-YYWHXJBOSA-N 439.321 0.229 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1790961457 KAQYXJFPVHZLSC-BQUFFADESA-N 443.298 0.655 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287323 LWXCLSDETQDEBM-PLGIXQIDSA-N 449.342 0.755 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1793012103 LEBZFUQIIOZTIR-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nnc(-c2ccccc2)o1 1796188702 KIJLXLOMAOMIGP-REPLKXPHSA-N 446.272 0.982 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1796440482 YCNLASAHTZHITN-IXOZXALOSA-N 443.460 0.037 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797551094 PTLZZYZUYDWGGV-HPAJIGNASA-N 436.306 0.917 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797893787 KXGYERLCGCYCMP-LXFSFDBISA-N 428.331 0.535 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)n1ccccc1=O 1797935530 JQNWCOOTXRKZTI-QIRZIZBZSA-N 430.274 0.689 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799154597 ZYXAVSSLLDIPLL-RPSTWBSGSA-N 427.929 0.231 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C(C)(C)C)c1)C2 1801009607 RPIJMDUECLOWOB-HGKCTWBKSA-N 434.541 0.214 50 20 ICGD CC[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1801799037 VHNUOMACKKPPDJ-WRWGMCAJSA-N 426.248 0.523 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)OC(C)(C)C 1804070327 CRIYBQMABUOBCK-MUJYYYPQSA-N 439.557 0.912 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376069 RVINDXKFDMSLEB-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(=O)n3C)C2)CC1 1807989973 WSIJFVLIFYECCX-UHFFFAOYSA-N 431.537 0.603 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1813069027 SDMFIEXTALFKSW-VGOFRKELSA-N 439.520 0.493 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813070411 INVTUEVSJLZDBM-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1813071367 OHXKOFOTLKBPFV-RDTXWAMCSA-N 435.554 0.087 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1813071620 VMRSUIZNJZNQIY-YWZLYKJASA-N 441.492 0.270 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)c1cccc(B(O)O)c1 1814182145 OGUTUYHUULINST-OAHLLOKOSA-N 429.307 0.475 50 20 ICGD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cnn1C 1815339431 FPPAUFMQJNZTSG-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD Cn1cc(F)cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817847853 CKCGVTMHGVMQNJ-AWEZNQCLSA-N 442.281 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[nH]n1)CC2 1819794051 WXLDTBXIQFZSNV-VIFPVBQESA-N 426.462 0.404 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1820169264 SHWAZXPVWYDGGT-ZDUSSCGKSA-N 444.630 0.193 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824184637 ARYXXJHJAAUYGE-STQMWFEESA-N 427.851 0.884 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)n1)CC2 1825998240 HCKLXCOBRSDWSM-SFYZADRCSA-N 427.870 0.824 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054855 NCKPDAXXODKLRD-SFHVURJKSA-N 440.309 0.792 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827251204 FOUNGGPBNOSZOE-HNNXBMFYSA-N 430.339 0.389 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncon2)CC1 1829501746 VPFQIAUEUGJDLF-INIZCTEOSA-N 427.465 0.615 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830543233 NPXGBBQCJVNRGY-PXAZEXFGSA-N 446.298 0.268 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830772533 DQNKZCJKPCHPHE-VBQJREDUSA-N 436.322 0.618 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1)[C@@H](O)CCl 1833310639 WXKGODRHOOFMIO-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)o1 1834797803 IFDOJLDPXWZZND-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1835984256 VQDSLECHLRKTBP-UHFFFAOYSA-N 448.568 0.795 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838664359 FFXNPOXEDWPHRH-CXAGYDPISA-N 429.315 0.962 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839146791 WMXLGDREFRGWPB-LIRRHRJNSA-N 425.869 0.898 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839152213 RCOUYSWDRVTAHD-GJZGRUSLSA-N 427.354 0.306 50 20 ICGD O=C(CN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199126 KBOXHZBQHDNOAQ-RDJZCZTQSA-N 436.322 0.619 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840032563 CHQODYNAQZLYAO-AHIWAGSCSA-N 434.331 0.093 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840151413 AQXQNESGCGAQAE-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1840465550 DPPGXNZKUUXTLP-ZBFHGGJFSA-N 433.278 0.110 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2 1841298777 VEKDFADPVZZRDG-AWEZNQCLSA-N 429.590 0.927 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2scnc2C(F)(F)F)C1 1842567734 MTJSFGSGOZJUBZ-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)[S@@](=O)c1ccccc1 1843014831 HHVQUOVBWGNMBL-AZYRPFHASA-N 440.330 0.380 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2occc2Br)C1 1843483838 HSVIKTMIOZBGHM-UHFFFAOYSA-N 433.067 0.853 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1845314445 PRDKTWWCEOQHDC-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@](=O)c1ccccc1 1845775690 JLIBKWKAIYCNJE-MKTHODDLSA-N 440.330 0.380 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 17330168 AHAFJBVZVLTDLM-UHFFFAOYSA-N 432.389 0.812 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728213722 HVQOHBLJMGFUCG-CQSZACIVSA-N 441.554 0.979 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 728382363 IPUMFXOTLNVVJW-ZDUSSCGKSA-N 433.486 0.811 50 20 ICGD O=C(NCCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 732235885 LBJYSJBPCWCHFR-UHFFFAOYSA-N 448.443 0.683 50 20 ICGD O=C(CNC(=O)N1CCc2ccccc2C1)NNC(=O)C1CCN(c2ncccn2)CC1 732287167 NXDVJSDWEFUFQZ-UHFFFAOYSA-N 437.504 0.608 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)nc2ccccc21 734674631 YYKPCFMWTKCQSQ-UHFFFAOYSA-N 434.453 0.433 50 20 ICGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734821007 DNYFCZMZGXBFDF-UHFFFAOYSA-N 428.534 0.173 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnn(C(C)C)c2)cc1 741645682 CFXVAPZWUIHMES-UHFFFAOYSA-N 429.524 0.403 50 20 ICGD O=C(CCNC(=O)NNC(=O)c1cccc(Br)c1)N[C@H]1CCS(=O)(=O)C1 743685214 AHHGBNPTHREVHN-LBPRGKRZSA-N 447.311 0.087 50 20 ICGD O=C1O[C@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)Cc2ccccc21 744619619 TZSRDTMWVLFBSE-KRWDZBQOSA-N 431.470 0.932 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744793312 NACUOOGTAFLFOG-MRXNPFEDSA-N 425.507 0.894 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCOC2CCOCC2)cc1 745845070 HSPJOLOSEXGIPE-UHFFFAOYSA-N 442.538 0.532 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095893 HCMKSPNIFONXIE-VXYZKVLMSA-N 439.472 0.297 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 746218905 NKSSXFOKJUVRIL-UHFFFAOYSA-N 435.510 0.169 50 20 ICGD Cc1ccc(S(=O)(=O)C2(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CCCC2)cc1 750818705 FOJKEOWRCCQMEX-CQSZACIVSA-N 428.532 0.664 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 755363068 YITRIOJXQUMATG-UHFFFAOYSA-N 442.885 0.561 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cc(C(N)=O)ccc2C)cc1 756262018 JSYKAYPVQDTTOK-UHFFFAOYSA-N 433.490 0.876 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 757594584 GOUZLYVTQBYPSQ-HXUWFJFHSA-N 433.486 0.949 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c2ccccc2c1=O 757708451 HCTKNDUNTBKNAL-UHFFFAOYSA-N 427.442 0.730 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757782188 ZOGRKQQMHBHMSB-LBPRGKRZSA-N 440.453 0.652 50 20 ICGD C#CCCCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 760102858 CTWVGERAXNELNA-UHFFFAOYSA-N 436.472 0.379 50 20 ICGD Cn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc2c1=O 760489981 KDQVMUWDYZPFSO-UHFFFAOYSA-N 428.308 0.979 50 20 ICGD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 762454852 NWCPXRCCUMUSJC-JTQLQIEISA-N 445.475 0.446 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763839000 XFDNPRGYLSHXJK-UHFFFAOYSA-N 429.408 0.516 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1S(N)(=O)=O 763861612 SWIHLUPYEWVNSK-UHFFFAOYSA-N 429.458 0.452 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O 763861971 XZMLRSRHFRHJDC-UHFFFAOYSA-N 443.485 0.892 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccccc1OC 764047069 BAVJZLMLDFBTCN-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c1 764097140 ALQJXISJNXIOSU-UHFFFAOYSA-N 443.201 0.731 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 764172929 ZVLQFADBGYDYTL-UHFFFAOYSA-N 428.445 0.400 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 764232134 RMCALZKHVNYODA-LLVKDONJSA-N 437.503 0.256 50 20 ICGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764259449 HTJKQUYOGUNEDD-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cc21 764367853 OEXLXPRUQOBIHE-UHFFFAOYSA-N 437.456 0.690 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)Cc2ccccc2C)c1 764412086 WESZOJQGMZLVGF-UHFFFAOYSA-N 434.456 0.917 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]1 765583871 SBAZKNOOMQQGAX-UHFFFAOYSA-N 427.433 0.858 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766640319 CWRAXMXYKMLKLZ-HNNXBMFYSA-N 433.509 0.505 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC(F)F 767244373 HDSMBHYPARMTHL-UHFFFAOYSA-N 443.432 0.881 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCCCc2ccc(O)cc2)n(C)c1=O 768290485 HXNWPCLGYRKMPR-UHFFFAOYSA-N 442.476 0.090 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccnn1-c1cccc(F)c1 770775209 XAYDMUOVEMNMAD-INIZCTEOSA-N 425.376 0.937 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 771826051 FVPNGHNXHHFXTI-UHFFFAOYSA-N 428.467 0.597 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 772001154 AYYCJZHCMAWWRV-CHWSQXEVSA-N 429.495 0.085 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1)NC1CCCC1 772452730 JZFVMVSUDDAJHR-UHFFFAOYSA-N 440.508 0.410 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)c2)cn1 773744767 VEDAJBSFUJHLSA-UHFFFAOYSA-N 441.414 0.662 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccnc1-n1cncn1 774009568 QQZMOARUSSTPAC-LLVKDONJSA-N 429.824 0.869 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 776078033 SGVMLAVYIKKYDY-KXBFYZLASA-N 425.507 0.749 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778593182 NOVRHQGWQCWMAJ-UHFFFAOYSA-N 443.526 0.728 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783264328 MVCZLGVTPAVFIV-UHFFFAOYSA-N 449.489 0.566 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1cncc(Cl)n1 783266089 NMWUSDYBQQNCLC-UHFFFAOYSA-N 434.840 0.835 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 784002884 WFDWOVSNJUALRE-UHFFFAOYSA-N 438.444 0.872 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)NNC(=O)Cc3cc[nH]n3)cn2)CC1 786187370 UQHJMIVMLMGEQS-UHFFFAOYSA-N 445.484 0.652 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 787548888 IAXSTNYOVFCJDF-OAHLLOKOSA-N 434.493 0.759 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 792030984 SFMHBYVAQARQJJ-UHFFFAOYSA-N 444.496 0.366 50 20 ICGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)C2)c1 792628325 GYUWTKUKRRXZKL-BIENJYKASA-N 434.493 0.844 50 20 ICGD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 797537296 HNSABKXNBKOHEV-UHFFFAOYSA-N 431.232 0.488 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2cc(OC)c(Cl)cc2OC)C1=O 802084424 VJQWWZSYWLMSBN-UHFFFAOYSA-N 439.812 0.487 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 810345914 VVJKIWKLDZKYHO-SECBINFHSA-N 432.296 0.135 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 810384167 GERZTFPGVBGHSC-CYBMUJFWSA-N 433.490 0.516 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810385466 TXSAZOOXRHRLBF-UHFFFAOYSA-N 428.401 0.581 50 20 ICGD COC[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCN(C(=O)OC(C)(C)C)C1 810573022 YEYKYBCFSVNWID-HXUWFJFHSA-N 435.481 0.232 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812983383 OXJTZWXHPURCIH-UHFFFAOYSA-N 448.505 0.643 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1=O 815607793 IQYUGPRUYNIOMK-UHFFFAOYSA-N 446.467 0.994 50 20 ICGD COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)n1 815779421 FNLYCGCRRIWJSK-CYBMUJFWSA-N 437.840 0.844 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccc(C#N)cc3)C2=O)cc1 864017172 WBUKSEAKQFPGGG-QFIPXVFZSA-N 435.440 0.860 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(O)nc1=O 915057530 FVENPCNBSUHQAN-UHFFFAOYSA-N 446.427 0.263 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cn1 915639128 JQDIGDVNVUUYLS-UHFFFAOYSA-N 434.503 0.212 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915686406 WEGNAABRUYHKPF-QMMMGPOBSA-N 425.341 0.732 50 20 ICGD O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885026 MHQONEKIKZFYNQ-ZDUSSCGKSA-N 425.463 0.328 50 20 ICGD Cc1cc(NC(=O)CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)no1 1778071515 QEQGWDOMHCESQO-IQUTYRLHSA-N 442.900 0.425 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1780119370 QUMLXLJXXNJFQU-QFBILLFUSA-N 440.884 0.704 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783321803 HMUKRZOCWSNXEC-GAJHUEQPSA-N 438.289 0.277 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1787508704 ITMGSFMDAHTUCX-SKIHNHESSA-N 439.476 0.204 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(N(C)C)c3)[C@H]2C1 1789535621 GNLCFSWIQRMENK-IHPCNDPISA-N 445.564 0.719 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21)[C@H](F)Br 1789925041 LWPCIRVEWMIQPD-VEABSNGSSA-N 447.261 0.231 50 20 ICGD O=C(Cn1ccncc1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791042428 RZRZRBAWMRESQL-UHFFFAOYSA-N 446.272 0.371 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1792874238 LILCDWACTQFUGH-GUIRCDHDSA-N 441.326 0.900 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)c(F)c1)C2)c1ccc(B(O)O)cc1 1795736271 UNYUCFQAHHPZJB-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncsc2[nH]1 1797982808 KTNTYXNFNZQDPC-DPIQGUFMSA-N 434.522 0.201 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1798474278 GAVMYFYYIBEKGB-ZUWCUPBKSA-N 437.262 0.810 50 20 ICGD COc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798818620 OOMGBTZWJKNBQJ-HBCWATKFSA-N 439.472 0.211 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CSCSC1)C2 1800976681 BYNOJQSEYUTMCH-RMEBNNNOSA-N 438.015 0.873 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1800981487 NPLJKWISNWLMGF-YEFSBHDESA-N 447.919 0.740 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2 1801012297 UELOCFBRFCQMCN-YZIUBNRHSA-N 428.533 0.679 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359890 MRWGRNJKZBRBDS-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)[C@@H](F)Cl 1808308878 IWQFXNCJFHGUCM-NILFDRSVSA-N 433.831 0.667 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970956 DZOVOQUPYRCXMK-QGZVFWFLSA-N 443.353 0.516 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293684 GFSKFAVHPAXVHB-QOKNQOGYSA-N 440.504 0.682 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814806351 FXJHJGQMFHMQPS-MNOVXSKESA-N 427.603 0.499 50 20 ICGD CC(C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814945518 AXQOYYYVDBOXOH-RDJZCZTQSA-N 429.481 0.731 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413937 IGSYFZDKESBVJY-OAHLLOKOSA-N 435.529 0.547 50 20 ICGD O=C([C@H](F)Br)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903182 FALPJUBTNCLQLK-DOMZBBRYSA-N 447.305 0.848 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1825716425 MANZGWVGMXNTKX-GOSISDBHSA-N 425.298 0.042 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049598 XBSVSZJJVHMRAJ-FPOVZHCZSA-N 440.305 0.926 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)no1 1827050395 QVOIHKAKDNKRQB-LJQANCHMSA-N 440.309 0.534 50 20 ICGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1829895023 YOTUCVJTRGXZBU-WMLDXEAASA-N 436.322 0.475 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1830370835 ZPCGXUOKQFZMTC-LJQANCHMSA-N 426.901 0.577 50 20 ICGD O=C(CSc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725445 INRRDTZSCYQFPB-YJBOKZPZSA-N 429.926 0.230 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1C 1830953897 ODNFPLMKQYYVHZ-RBUKOAKNSA-N 447.363 0.964 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCc2ncc[nH]2)CC1 1832070029 BOQVESGHXVKUON-FQEVSTJZSA-N 438.337 0.956 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cn1 1832272821 YDKZWDRMAUFNIQ-NRFANRHFSA-N 438.337 0.576 50 20 ICGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)s1 1833310186 BERRRWSMZVFYPL-OAHLLOKOSA-N 429.974 0.560 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833950361 HKZAALYQYQTJPP-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822591 XINRWLPKRQTRTA-INIZCTEOSA-N 447.355 0.889 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)CC)CC2)CC1 1835645029 NPGMRRYSSGWXLA-RDJZCZTQSA-N 432.949 0.640 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836034466 JKERUDKUAVHQJH-DOTOQJQBSA-N 448.264 0.910 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836690445 BKQXQODGHFJSKL-FQEVSTJZSA-N 446.353 0.386 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710242 QDMRSZBEUKKHMG-YLJYHZDGSA-N 438.601 0.827 50 20 ICGD O=C(Cc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198193 WSSZOVJZPIWNPG-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839387843 WWUYZADEDIRTCF-NJSLBKSFSA-N 449.932 0.303 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1839762227 CURXDEGTEPUMNP-SUMWQHHRSA-N 447.326 0.570 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839962870 UESBXZMWQCSOOA-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839963252 FUUQJBOJKDCSDW-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840031317 MEQYCWOYDGKBDV-KBXCAEBGSA-N 442.310 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840152122 XVLRJQVPXVLEDD-YWZLYKJASA-N 436.896 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844671469 WZEOZWHTYQNOEI-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848216747 JEDOIRJQYFUDNX-DJBIQUGXSA-N 439.310 0.978 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16098486 SXMZTIRRINMYHL-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 21039062 KTDYHBQVOQWMOX-UHFFFAOYSA-N 433.421 0.192 50 20 ICGD CC(=O)c1c[nH]c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 28581024 HULJAXCQVZTSQH-UHFFFAOYSA-N 448.501 0.632 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C 109630976 FZUXADSRISOBKM-JJBLJPBOSA-N 438.550 0.998 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 110210380 AMZXLDWJERYWJF-UHFFFAOYSA-N 438.469 0.802 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2c(C)nn(C)c2n1 728318158 FHSREPSXMPEWGW-INIZCTEOSA-N 439.428 0.729 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728510720 RGMTYVOQKYJCNY-QMMMGPOBSA-N 436.899 0.144 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C(=O)O 728854527 XHPSVQBWSKLIJY-UHFFFAOYSA-N 449.489 0.800 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCCCN1CCN(c2ncccn2)CC1 729614414 IAJHQGWZTPUBGF-UHFFFAOYSA-N 445.499 0.927 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730582726 FULLXPIEOFKWPT-UHFFFAOYSA-N 430.552 0.337 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 732054289 SAGQZNRZMJQIOP-ICSRJNTNSA-N 446.548 0.931 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(=O)n(C)c1=O 735028553 MHVZXGKDEZHYSE-UHFFFAOYSA-N 445.439 0.407 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=S)NCCc2cccs2)C(=O)C1 741302640 SPKVBWJFTQBODD-UHFFFAOYSA-N 441.579 0.865 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742478355 OLTBSYKBRVYDHM-MRAULBJFSA-N 437.452 0.917 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)c1 742772339 ZCWIJOWKZHHHCK-AWEZNQCLSA-N 439.310 0.391 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744466019 VCVBVQHNPWXTDX-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)[C@@H]1COCCO1 745801410 YSDIRHCSGXWJFA-KRWDZBQOSA-N 428.449 0.649 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748522141 MDMHZXMURGUVGS-UHFFFAOYSA-N 433.430 0.379 50 20 ICGD COCC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 756002098 FDZJXPXUABCPQX-UHFFFAOYSA-N 426.539 0.121 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 756545864 AUUXBYQJFXHUHZ-AWEZNQCLSA-N 439.476 0.337 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757798013 RKEQYAVKKFQLNW-KDOFPFPSSA-N 435.550 0.898 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 763009160 LJAHKRORTDCKBU-GFCCVEGCSA-N 443.485 0.324 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCSC1 763272023 BLMGMJFGHVMJFM-OAHLLOKOSA-N 426.564 0.669 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccn1 763465431 WALRHBSTNWZQPY-UHFFFAOYSA-N 449.489 0.567 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)nc2OC)c2ccccc2c1=O 763786476 OIYAPEVCTPDNAH-UHFFFAOYSA-N 440.416 0.228 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763806273 ANHJMIYYXWBKIK-UHFFFAOYSA-N 425.401 0.308 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763884763 FYGGDQYSXONSPR-UHFFFAOYSA-N 425.442 0.219 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(F)ccc1OC(F)F 763917177 QUKAXXCGPJIIFK-UHFFFAOYSA-N 435.322 0.803 50 20 ICGD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763920879 FTIOVOZSNUVDIP-UHFFFAOYSA-N 442.823 0.674 50 20 ICGD Cn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763950240 VRHMBIWCLXNNIH-UHFFFAOYSA-N 446.427 0.773 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2cccs2)c1 764002356 LIIKIUVHJYJXPW-CQSZACIVSA-N 431.495 0.669 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccc3ccccc23)cn1 764035024 DSWGRHWJWSPBTJ-UHFFFAOYSA-N 426.454 0.967 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc(S(C)(=O)=O)c1 764067886 BAYQOKCAJVGODL-UHFFFAOYSA-N 425.463 0.543 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1-n1nnnc1C1CC1 764176774 GMTLEWYJLIMUHX-UHFFFAOYSA-N 446.427 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 764430056 RKNDOCZEHVNWHL-CYBMUJFWSA-N 444.366 0.555 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)nc21 764778333 BVUYKSKLWXFHOK-UHFFFAOYSA-N 432.466 0.435 50 20 ICGD Cn1cc(C=NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(=O)n(C)c1=O 764831462 OWSLJPFRDJMSKO-UHFFFAOYSA-N 432.912 0.005 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccccc3CN3CCC(O)CC3)nc21 770409809 VOBGQGVHLRKOTQ-UHFFFAOYSA-N 426.481 0.852 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cccc2nsnc12 771605885 CZSCTMWFMDOHKH-UHFFFAOYSA-N 425.879 0.971 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 772097639 PJYMOVYDSOPANN-ZFWWWQNUSA-N 433.461 0.936 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F 773678393 XDKMATXLROTYSY-UHFFFAOYSA-N 439.425 0.965 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061385 JCYPXBCJOCCHHL-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C[C@@H](C)O1 779371414 SFQZMJXLUPJNNH-AZSHCRGASA-N 427.571 0.359 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 780831262 CFQVCVUUWHSDOM-UHFFFAOYSA-N 437.434 0.986 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O)cc1 780971598 OVXSXTNRCVLEGX-NRFANRHFSA-N 447.492 0.824 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786414159 KHZRBIZGHDXYDA-UHFFFAOYSA-N 435.485 0.276 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NNC(=O)CC3CC3)cn2)CC1 786417108 KUNYAXFFBPIXLQ-UHFFFAOYSA-N 447.496 0.420 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1N1CCNC1=O 787542266 IQSFPJCVRXQEGU-UHFFFAOYSA-N 427.417 0.395 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 788141504 AGRFHFDZBKXCNG-SECBINFHSA-N 431.906 0.437 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)ccc1C(N)=O 789731893 JOLZWCZXFOYMHV-UHFFFAOYSA-N 432.408 0.877 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 797370658 RRDNHMWMDNLXAY-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)Cn1ccc3ccccc31)OCC(=O)N2 797430317 ADUVMUKZRSAAMT-UHFFFAOYSA-N 430.442 0.991 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)ccc21 799257938 WWJATFUZAFPNNH-UHFFFAOYSA-N 437.456 0.581 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 799835036 MFOXZRYDYRKPCJ-UHFFFAOYSA-N 447.517 0.797 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc(OC(F)F)cc1 802049025 SNQUPCXHXMFIMX-CYBMUJFWSA-N 441.435 0.621 50 20 ICGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 802828188 WBYCIILXADCGKY-KSSFIOAISA-N 425.555 0.617 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 804952768 SHNXOWUALSKLIX-RRFJBIMHSA-N 447.521 0.215 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1=O 814732820 FNWXBNGFJPJMGZ-UHFFFAOYSA-N 432.444 0.681 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c1 816810196 CRYZDNHJDTYBPA-HNNXBMFYSA-N 448.526 0.966 50 20 ICGD O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CC[C@@H](B(O)O)C1 864232793 DHTXTJPJFUKABS-SNVBAGLBSA-N 437.110 0.703 50 20 ICGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155478 XBSIJDZAEUAJIE-ACCUITESSA-N 441.473 0.404 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CCCCN1S(C)(=O)=O 919246397 DTAWRHIWGWRPRU-ZDUSSCGKSA-N 447.897 0.467 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1115911932 CPEWGQZLUKWIEE-HNNXBMFYSA-N 426.454 0.776 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1777965522 AWEQQOWXLCXBFJ-OIPACUDHSA-N 430.958 0.127 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781230501 TUSMYTMYPVOPIK-HFBAOOFYSA-N 426.297 0.117 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333514 IBSZVSOZJMDVBP-GOEBONIOSA-N 431.262 0.635 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783529156 FHURFFGWIJJPHU-ABAIWWIYSA-N 430.259 0.405 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1783619316 DOXMOKGURSBKLQ-GLYSVQQSSA-N 433.509 0.525 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1783933340 IKWBTWSBRKAKDG-ACBHZAAOSA-N 446.470 0.922 50 20 ICGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(C(F)(F)F)n1 1784091238 LQEATOVPICODSR-UKJIMTQDSA-N 438.834 0.632 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784782326 KDSQDNIXWRUPEE-OAQYLSRUSA-N 446.460 0.525 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1786407323 QDKFIKUOXGCPJV-QEJZJMRPSA-N 441.326 0.880 50 20 ICGD CCO/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508174 MLPQOAFMRHIXPM-LDKNVQJTSA-N 431.493 0.650 50 20 ICGD O=C1CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)CN1 1788145394 OBCJSIDWZAEDLR-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cnccc4[nH]3)[C@H]2C1 1788421582 QNSSCUONVSRVRK-QOKNQOGYSA-N 442.520 0.529 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1789868070 LZSJQGKXGSZASW-RSLFNQERSA-N 441.319 0.954 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@@H](F)Br 1789921997 ANLDDTFOUGMMGL-QVSJOPQTSA-N 448.249 0.462 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@H](F)Br 1789923037 QHCGZUUXIJIITL-KBIXCLLPSA-N 434.222 0.602 50 20 ICGD O=C1CN(c2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](O)CCl)C4)n2)CCCN1 1794839824 ROLUXBUKRNNCFB-JYYAWHABSA-N 449.939 0.259 50 20 ICGD COc1ncc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185886 XKMRKKAVVICJPQ-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797911123 KYDAQPPWGXHKGT-JYYAWHABSA-N 440.928 0.130 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccoc3c1)C2 1801011139 HIFFVKJZSRNWPY-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD CC(C)(CCl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1802902267 KELZGPURMPRYKY-MJGOQNOKSA-N 440.972 0.639 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803073219 LZQZTZMLDDAJBS-MISYRCLQSA-N 439.321 0.488 50 20 ICGD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805800247 JCJBXQGQZOVIKK-XLIONFOSSA-N 434.261 0.691 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1808354209 DQWBRVNUTQWYCX-INDMIFKZSA-N 431.924 0.652 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1nc2ncccn2n1 1809226410 MBWGIOCWZSZQCE-SOUVJXGZSA-N 429.868 0.439 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973976 NHPIPVHSHQTGPM-JQIJEIRASA-N 427.310 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CSC(=N)N)sc2C1 1814730314 IMEWCDURSRMASP-SECBINFHSA-N 427.556 0.055 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815489386 PJBUHAYXNXXRSY-MSOLQXFVSA-N 425.298 0.490 50 20 ICGD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1815545283 LZQIPTGKOZZWQI-AWEZNQCLSA-N 439.306 0.025 50 20 ICGD Cn1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1817559720 JEPGWMOHTOKRAV-GOSISDBHSA-N 436.281 0.372 50 20 ICGD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)n1 1817608849 QTLISMLMDPSZHX-ZWNOBZJWSA-N 427.914 0.812 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)no1 1822697022 VAXOHPXKIRWKTQ-GOSISDBHSA-N 437.265 0.935 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822864137 ZXOIVNKFIMECEV-YNEJBJPTSA-N 436.365 0.884 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1825999392 QXJHCNWNMKLGPE-BDAKNGLRSA-N 440.846 0.034 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726552 ZSEMYAWMXBUPIR-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732820 BIQBQMZLNNAUIE-GHTZIAJQSA-N 448.907 0.542 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733396 LDZSZZUPHDNDAM-RXVVDRJESA-N 448.907 0.746 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1830738927 VMSAGFVQUAGGPM-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833191027 VSBIGABGZVRPTB-FXAWDEMLSA-N 425.913 0.724 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833450769 XAVQTCMXWLIRPI-WFASDCNBSA-N 440.969 0.420 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833678026 REHGLQYMOXPKCW-HNNXBMFYSA-N 427.933 0.127 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835628405 OYTMCLNWNQUQDD-DLBZAZTESA-N 435.308 0.872 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835823561 ULOZPNVVJICZCD-LVCYWYKZSA-N 439.940 0.439 50 20 ICGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836414112 WUNXHPYDPRYGSK-INIZCTEOSA-N 435.338 0.775 50 20 ICGD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836916605 OIFXCOWOLDDRAX-INIZCTEOSA-N 426.558 0.641 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920149 FBJUYPKWGRSDQL-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260558 SVBDUTNABXZTDO-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742192 WNBJHWYAPUSHAY-SJCJKPOMSA-N 425.283 0.740 50 20 ICGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1ccco1 1839198387 CZLGWMAOLGWFAV-BBRMVZONSA-N 433.230 0.609 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840151687 LEMAVARHBMDIGQ-OXQOHEQNSA-N 436.896 0.838 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784236 MYFIRYVXBBMUGM-OXJNMPFZSA-N 444.887 0.642 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841887314 HVENMRXBSQJTKP-OAQYLSRUSA-N 433.317 0.240 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842829962 KCIOKVRPHKYYJT-AWEZNQCLSA-N 442.944 0.944 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2NC1=O 1843011796 UMFREFGYGRPWFF-AWEZNQCLSA-N 449.272 0.217 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843857064 CGFXYLLWLLGPEW-HYARGMPZSA-N 430.465 0.166 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844263258 KSSLHOXGXIORPM-KBPBESRZSA-N 429.477 0.091 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)CC3)C1 1845705821 NSQAFQILWSHFTF-UHFFFAOYSA-N 427.505 0.761 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 9551165 XMNGVBGEMCNRDR-UHFFFAOYSA-N 444.469 0.428 50 20 ICGD CCc1cccc(C)c1NC(=S)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16259872 MPCGSRCDKWUJRU-UHFFFAOYSA-N 443.533 0.712 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 17406120 OYAFAHOXGYHRDB-HNNXBMFYSA-N 448.501 0.405 50 20 ICGD COc1cc(OC)c(N)c(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 726209196 XUXJDPKWXZNRAD-UHFFFAOYSA-N 433.417 0.921 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 726380233 ZHRJXAFWSMRDRK-UHFFFAOYSA-N 448.501 0.532 50 20 ICGD CC[C@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727227626 CLYNXFZYPGSQNN-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274817 DXSARNPCCGUEAH-SNVBAGLBSA-N 427.508 0.677 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1 731224008 WWMFKFSRQJIZHY-KRWDZBQOSA-N 433.553 0.864 50 20 ICGD O=C(NNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 733138673 HWDYSXWLJMMMOT-PCJMVEANSA-N 443.485 0.370 50 20 ICGD CO[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 745927907 NTBNYBCNQGVADM-INIZCTEOSA-N 428.511 0.323 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746098150 HGFHTQIDSLFCPL-VIZYAEIXSA-N 431.445 0.406 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)c2ccc[nH]2)c1OC 747654271 BUWXEIBSLBUAJO-UHFFFAOYSA-N 438.462 0.128 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nccn(C)c3=O)CC2)cc1 747941399 COJQBWAFFJCEAQ-UHFFFAOYSA-N 435.506 0.723 50 20 ICGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 749715775 WACABFIEULSMAT-UHFFFAOYSA-N 434.518 0.681 50 20 ICGD C[C@@H]1C(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc2N1C 750576732 PPLCKOTYNDJXAY-LLVKDONJSA-N 441.400 0.990 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)s1 751201149 GFWLUSZHIXCFLA-GFCCVEGCSA-N 440.503 0.380 50 20 ICGD CNC(=O)c1cccc(CCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 751883310 UABMUNSJTUZOIL-UHFFFAOYSA-N 428.401 0.891 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1=O 752022998 JPKIADIEVMARIE-YUNKPMOVSA-N 441.448 0.242 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)OCO2 753839944 FIGWQALLCXQCLJ-JTQLQIEISA-N 447.375 0.894 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1nnc(O)c2ccccc12 756099495 WQMUKMOIYYCLFZ-UOVKNHIHSA-N 436.428 0.087 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)n1nnnc1C(C)(C)C 757676483 ANQVLKZVOMMPRO-INIZCTEOSA-N 428.541 0.891 50 20 ICGD Cc1c(C(=O)NNC(=O)C(=O)Nc2ccccn2)nnn1-c1ccc(OC(F)F)cc1 758839124 BHHVACGJTSIEPD-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)n1 763264283 VAJWCSRDSLYRRG-AWEZNQCLSA-N 428.474 0.745 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnccc2OC)c1 763507779 DPMIMICQQZTBIN-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1C 763535189 PVOPCGQVRFZLDI-UHFFFAOYSA-N 429.458 0.784 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763679989 AYBGNMVQSWBHRN-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD O=C(COC(=O)c1cccc(Br)n1)NNC(=O)[C@@H]1COc2ccccc2O1 763769603 LKEVHLOGLNNZBJ-ZDUSSCGKSA-N 436.218 0.988 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1F 763872811 PAIUTLDQOWYGRJ-JTQLQIEISA-N 445.386 0.802 50 20 ICGD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227109 MDNKBURTVVTBHE-VIFPVBQESA-N 436.943 0.864 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 764276064 YDVFUWSUWUGCAF-UHFFFAOYSA-N 443.384 0.553 50 20 ICGD Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764426409 UOZRQQZGZXZUPD-IBGZPJMESA-N 438.440 0.947 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 764564444 SWIGJBDSTIBTGN-STQMWFEESA-N 434.449 0.979 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CSc2ccccc2O)c1 765249110 OKRIIYREQDQBFJ-UHFFFAOYSA-N 428.492 0.198 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 765433132 XBBMGZHPUQIMCW-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(C)(=O)=O)o3)CC2)cc1 765754604 MHSYIZRECYIUKG-UHFFFAOYSA-N 434.518 0.570 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 765975318 VSFNQRDBFZLKNC-JTQLQIEISA-N 437.444 0.752 50 20 ICGD CN(C)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 766312382 SAURWNFVRFRRIQ-SECBINFHSA-N 440.341 0.259 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CSc3cccc[n+]3[O-])CC2)cc1 766647277 CTJOYZOOXDTVSE-UHFFFAOYSA-N 429.546 0.686 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 767270145 PXUGYQYMGQSKHY-BHYGNILZSA-N 429.473 0.792 50 20 ICGD Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 773263912 GENPSVMLBHMKRZ-ZDUSSCGKSA-N 438.531 0.979 50 20 ICGD CC1C[C@H](C(=O)NNC(=O)Cc2ccncc2)[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 775867473 JPNPVGPMHYOFGD-ROUUACIJSA-N 438.488 0.219 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 777766945 DMAGMMQOJBFNLZ-UHFFFAOYSA-N 436.538 0.657 50 20 ICGD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 780917813 NRYWMUQQZWUVJZ-LBPRGKRZSA-N 435.462 0.696 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3cncc(Cl)n3)cc2)CC1 783259719 JNJYEFHCLHFUKP-UHFFFAOYSA-N 431.884 0.990 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)n1 785226478 HJJWYIWSUVUEQV-UHFFFAOYSA-N 434.522 0.992 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3NC(=O)O[C@H]3C)c2)cc1 788630577 LEVJWNVFBZPALM-MEDUHNTESA-N 448.457 0.754 50 20 ICGD CN(C)S(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C2 792894779 HPRTYTOQYRFMCY-UHFFFAOYSA-N 441.513 0.628 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 793031919 XAXPCXRUCTWPFP-LBPRGKRZSA-N 430.433 0.365 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)CCc1ccccc1 800755686 OXPKNUCHXDSBOJ-UHFFFAOYSA-N 430.486 0.925 50 20 ICGD C[C@@](O)(CCc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 801494566 YMELODSZTKGZIW-XMSQKQJNSA-N 428.441 0.901 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1S(N)(=O)=O 812431272 DJRAPAOZYTYMKB-UHFFFAOYSA-N 436.490 0.869 50 20 ICGD NS(=O)(=O)c1cc(C=NNC(=O)Cc2csc(N3CCOCC3)n2)ccc1Cl 814770357 AUIGEDCUKHSWBE-UHFFFAOYSA-N 443.938 0.973 50 20 ICGD N#Cc1ccsc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 815563638 JLLJRZSGSPVFHE-UHFFFAOYSA-N 447.498 0.804 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 914602461 PURRHCXYBVWZQF-UHFFFAOYSA-N 448.457 0.085 50 20 ICGD CCCCOCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915887937 FNLBXLCUUXVIMD-UHFFFAOYSA-N 442.538 0.858 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 916048838 RUOVGXKJXKROMK-OAHLLOKOSA-N 431.536 0.445 50 20 ICGD CS(=O)(=O)Nc1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916381195 WOFRESZSXRTRPZ-UHFFFAOYSA-N 430.450 0.178 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNC(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O 918279989 CDMCTRNALIWTTF-UHFFFAOYSA-N 429.383 0.886 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC 919877587 AGKKXMQTVPYZNW-YGRLFVJLSA-N 447.945 0.695 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778893095 VMDLFBJQXBXPFQ-HNNXBMFYSA-N 426.464 0.773 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1779037119 OTTNCWYQFUGFKF-MNFOOTCESA-N 429.502 0.004 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779545802 KNRDRCXTXZZPQC-JXXFODFXSA-N 425.602 0.878 50 20 ICGD COc1cccc(OC)c1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780542342 VLGBPRRSXWUFSB-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1780713200 MVTQJUDRGCSNHC-QIZIZJAASA-N 437.368 0.329 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ccccc1-n1nccn1 1781039403 MHFOUPIOKOBBSM-WAOWUJCRSA-N 447.923 0.995 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781232644 MWAQFIDFEZXOAK-CVEARBPZSA-N 425.382 0.537 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730695 OUHOATMZUZHMDT-DYESRHJHSA-N 436.940 0.467 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1783534510 KPQPSPJREKJWRW-INLINHOESA-N 447.355 0.402 50 20 ICGD N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786848633 XTYXEKRBYLFMMI-QFOLPQNPSA-N 425.324 0.673 50 20 ICGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788495553 RNXKDQJDZSKLIT-PNUVHYQVSA-N 432.290 0.491 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177634 VCXVFLBBYHFLPH-HAFSJTIUSA-N 449.932 0.063 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793364487 FPTJXDYMXDQLRX-OTMMVIPVSA-N 427.292 0.173 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)cn1 1796075924 WBXKJMQAZFSHQQ-AYRXBEOTSA-N 433.889 0.364 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)c1ccccc1)C2 1797748598 LIBOMSNGXIDPRX-WTLGNFPFSA-N 441.463 0.599 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC(=O)C(F)(F)F 1798341793 XBFMSLRRHQSCNQ-JGPRNRPPSA-N 443.382 0.042 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798525542 DSOKPRIQXKVQRX-JFILPPLUSA-N 426.311 0.620 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2)[C@H](F)Br 1799347205 IINWRGAZCQJHJK-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD C[C@@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799869999 XBOVBEKHBKLBDV-OQIJWPOYSA-N 444.536 0.105 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799931793 BGFOBHSOYNTNLC-TXTZMMAHSA-N 433.553 0.399 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1800760436 NVXXGBYPFIYPIZ-MAUMQABQSA-N 440.220 0.810 50 20 ICGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801018188 RJODDABPAFCVCO-AGGWBTHJSA-N 427.325 0.449 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)C1 1802408135 UJTVTGQJHYUCEQ-MTCCJSQRSA-N 445.944 0.596 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804346218 ITOLHJBRMGHZTQ-RKVPGOIHSA-N 447.568 0.537 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1805733289 QEDOULPBTGMQQJ-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807192930 ZNRVKMQDLHFTIN-JTDSTZFVSA-N 435.601 0.532 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cccn1 1807368760 YABZZUZWESZILA-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)C(Cl)Cl 1813076442 QRTXQXQDZOXMGA-YPMHNXCESA-N 439.236 0.616 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCCO1 1814504519 RWBKXZAOLSEBOS-ZWKOTPCHSA-N 426.282 0.965 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817474313 PZWHEFNEUJQFHN-GOSISDBHSA-N 436.281 0.601 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n[nH]1 1819798087 VALTUKILUICYCT-JTQLQIEISA-N 440.489 0.713 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822188840 OSXOIBVQRWWJTM-KOLCDFICSA-N 444.286 0.728 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826513220 LUFIQPUTRJRERB-CQSZACIVSA-N 439.306 0.405 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827309583 QLJQRFDKNPVIPJ-GOSISDBHSA-N 425.298 0.340 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1)c1ccc(B(O)O)cc1 1828185465 UQXFEJAWQNWEAN-DZGCQCFKSA-N 429.307 0.475 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829489933 NAHJJIIFXNIOQT-SJCJKPOMSA-N 431.829 0.512 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1830534578 BWZZZYCJKRVBLT-KBXCAEBGSA-N 442.310 0.421 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719528 FQQMIBZINULUOT-BEFAXECRSA-N 427.885 0.150 50 20 ICGD C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833705163 MCDPQWUVPJCJGP-UHFFFAOYSA-N 445.394 0.471 50 20 ICGD Cc1oncc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834242553 SOOZBWMOEDOWMG-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597202 WZLYBFRLHXMSJM-ROUUACIJSA-N 433.288 0.946 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1834822539 UGOIGGNNKSKGCV-INIZCTEOSA-N 449.733 0.778 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823151 LGPNZGGPCDMINF-KSSFIOAISA-N 448.358 0.533 50 20 ICGD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1835554600 PNCOJTOQYWSDMO-APWZRJJASA-N 440.338 0.408 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835623029 MBFDHQHYVHHIDL-MRXNPFEDSA-N 431.287 0.420 50 20 ICGD O=C(Cn1ccnn1)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1837982108 XYMICQJNOXBGLT-OAHLLOKOSA-N 432.294 0.967 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839198407 ZLGUKYRQYIIDGS-XJKSGUPXSA-N 449.277 0.189 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719265 NMGXSTWWSAKWBO-GUYCJALGSA-N 429.315 0.440 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1839761406 HBVXUFJZHVGKLH-IBGZPJMESA-N 442.585 0.638 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839965627 FTUIQSFVXFFRSO-MEDUHNTESA-N 432.271 0.624 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840030868 YYFCVDYVDNUSQS-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840152737 RRDXGHPTJUOHQV-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840153067 BZLDNGWUNMLWSH-OXQOHEQNSA-N 440.928 0.543 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2n[nH]c(C3CC3)c2F)C1 1842291426 QFLMXIRFYAXFGN-UHFFFAOYSA-N 427.440 0.556 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)ccc2c1OCCO2 1843296467 LKUUCUBHWQNIJU-UHFFFAOYSA-N 430.505 0.956 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843749628 HCNJHOUIDHBUEA-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)C(C)(C)C 1844263565 RGTQZIWGMZOPAN-INIZCTEOSA-N 430.509 0.053 50 20 ICGD CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 9889656 GJCFWVFRIPTVFQ-UHFFFAOYSA-N 430.486 0.941 50 20 ICGD Cc1ccc(CC(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)cc1 110297414 AYNKZLAAXHXMQE-UHFFFAOYSA-N 429.546 0.837 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 731861505 DNASNYUMHXDHQM-UHFFFAOYSA-N 448.483 0.945 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731985489 BXMFGRXGILQPPV-SNVBAGLBSA-N 435.418 0.431 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 733886016 COMCLNJAHNXLKE-CQSZACIVSA-N 445.501 0.214 50 20 ICGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 734241552 QCTRBCUVABIKCW-JHJVBQTASA-N 425.486 0.405 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3cnnc3)cc2)CC1 735117303 PUPLAXQXEZVLJN-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 736066828 VFZAJNXGHHEIMM-CJNGLKHVSA-N 428.493 0.915 50 20 ICGD COCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 737757117 TYJWPARFKVLAOW-UHFFFAOYSA-N 427.504 0.376 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)C[C@H](C)O1 740746103 JPCUKUCXXZWQKF-RYUDHWBXSA-N 431.478 0.908 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 742033141 IPPCBZQRHFWWTA-UHFFFAOYSA-N 443.485 0.359 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)c(OC)c1 746228213 MVEUSTILJWMEGQ-HNNXBMFYSA-N 429.433 0.655 50 20 ICGD COc1cc(C)c(Br)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 747599936 BMKAUQXABSTXPC-SECBINFHSA-N 441.325 0.510 50 20 ICGD COC(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 748618553 DUFGTGUNSOYTLG-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl 758050707 CJLRHJGOXZIERB-QMMMGPOBSA-N 432.911 0.370 50 20 ICGD C=C(C)COCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 762373217 OTZGTQJAPKECEA-UHFFFAOYSA-N 426.495 0.244 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cc21 763680381 GKOFKLCACMDQRK-UHFFFAOYSA-N 441.419 0.691 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 763680980 IPDMOSARNSOWDK-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 763682351 MKOUJXBWLKDVRD-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 763718130 HRCKDMJEQKNXMN-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 763772995 RYQJIBYGAFTAOJ-UHFFFAOYSA-N 439.432 0.777 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)cnn1C 763843067 NKTYUNWALNWBEB-UHFFFAOYSA-N 439.476 0.884 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)N=c3cc[nH]c(C(=O)N(C)C)c3)cc2C1 763944163 XFQOVJSSDVIUMI-NSHDSACASA-N 429.502 0.791 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 764085002 XAAFKUACTLXOIM-CJNGLKHVSA-N 432.477 0.986 50 20 ICGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 764284310 ZZWBDWVIJCZOIC-ZDUSSCGKSA-N 435.554 0.995 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764410456 HNJLYYVXGNDZBA-UHFFFAOYSA-N 447.810 0.931 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 764426404 ULFZSGREMFSFBM-WFASDCNBSA-N 427.841 0.399 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 768168521 UXJXHLLGNMJFGG-JSGCOSHPSA-N 438.388 0.244 50 20 ICGD COc1cc(O)c(C=NNC(=O)C(=O)NN=Cc2cc(OC)c(OC)cc2O)cc1OC 768358945 ZQUAHIOELMKYEP-UHFFFAOYSA-N 446.416 0.733 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 768710273 QLAYLDKRGNRSSG-NRFANRHFSA-N 430.461 0.882 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770455806 VJZHAZVUEDYFGU-HNNXBMFYSA-N 437.522 0.531 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 771889456 LCXKUQDHWGHGOW-UHFFFAOYSA-N 449.489 0.705 50 20 ICGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 778557895 VXNGNPBHMBXCGP-UHFFFAOYSA-N 434.409 0.601 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 784001675 AYDBWBCKUNRKMK-UHFFFAOYSA-N 427.461 0.781 50 20 ICGD Cc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003884 QWEFZYINFOTEJU-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 784005146 QWXUJRPFPSWGGF-CYBMUJFWSA-N 427.486 0.641 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)n1 784845962 IFURGLITVKUNLD-UHFFFAOYSA-N 429.433 0.410 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNc1nnc(-c2ccccn2)s1 788567285 GHXJRRVCYKLDRM-UHFFFAOYSA-N 448.476 0.921 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cccc(C)n1 797607557 FZQCKPCXEGTBLK-UHFFFAOYSA-N 449.489 0.886 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)c1 800624299 BPABWIVGPYTZGM-UHFFFAOYSA-N 449.826 0.355 50 20 ICGD CC(C)Cc1nnc(NC(=O)CN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 809998516 SUJHPLHDQQDSNY-UHFFFAOYSA-N 449.493 0.976 50 20 ICGD CN(C)c1nccc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 810427320 HCOJMYUXLMREGJ-UHFFFAOYSA-N 429.300 0.727 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 811831112 VDCFFNGVUAPHLK-UHFFFAOYSA-N 429.454 0.525 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 815751140 SHRKSXZYBIRYMF-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3nc[nH]n3)CC2)c1 816634598 NLXGCLYNBFUBFR-UHFFFAOYSA-N 435.510 0.178 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 863999372 RLNOSNMZDPWFOJ-UHFFFAOYSA-N 449.485 0.793 50 20 ICGD CN(C)CCC(=O)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 916124474 WNLJEYHTAHEDIS-UHFFFAOYSA-N 449.986 0.630 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 916263898 IFSROIQFJNXWQJ-UHFFFAOYSA-N 441.492 0.404 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 918137691 ALHNHLVRXFGHDL-UHFFFAOYSA-N 449.508 0.784 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2c1=O 918548631 HOMRYBPWUUIGKE-CYBMUJFWSA-N 435.506 0.239 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 919961224 XXFOTJGBGGRLAE-MRVPVSSYSA-N 446.732 0.782 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 921301052 LLQXXQVJVWLNBI-UHFFFAOYSA-N 426.495 0.757 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(CN2C(=O)CNC2=O)c1 1326379199 DNMFWYXACTXUJA-UHFFFAOYSA-N 437.460 0.206 50 20 ICGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)n1 1778241139 OKIXTSUCPHQRJJ-GPMSIDNRSA-N 428.917 0.257 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1781097075 VBMBEVSVIPWLBF-YJBOKZPZSA-N 431.375 0.237 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781542945 ALORXVSFJWQBIV-HXUWFJFHSA-N 449.464 0.117 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787493336 WSUJWVWWEJEHQQ-AJNGGQMLSA-N 442.900 0.545 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl)[C@H]1SC(=N)NC1=O 1792781904 GGOQITDUZZYCHP-UJPOAAIJSA-N 430.958 0.643 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)[C@@H](O)CCl 1792977344 SXEMMKWQXMUHDY-KPEUIFRASA-N 444.937 0.040 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1793432901 AFENSCGVJGANHZ-LKYACTAOSA-N 446.454 0.973 50 20 ICGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737498 ONEPDMNCNGASGE-MXNKGDRCSA-N 436.317 0.763 50 20 ICGD O=C(Cc1cnc2ccccn12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189686 OXYOQVRRTNDQJE-REPLKXPHSA-N 432.289 0.509 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ncn(-c2ccccc2)n1 1796190967 JKUDMEPQKQPVKE-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1C)C2 1796441268 QCIQJURZGRKLGE-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655890 GPIFCQVCNQTEBS-DTHBNOIPSA-N 445.232 0.855 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799756379 TYOLEKVDEMNTJU-YHYOWMERSA-N 429.832 0.845 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1800535796 XSGFCBBXCNNALQ-BQIWYJNTSA-N 446.454 0.986 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800759584 WWEHLHCXQGHLED-XHSYRHOGSA-N 427.255 0.161 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1800977112 IZDMWINYOHYPIA-NOXHYTERSA-N 427.841 0.757 50 20 ICGD COc1cc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012099 COGCGCSMAIDAPL-VPTLXERWSA-N 432.521 0.580 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1CCOC1 1801577055 FPZFCNYFDSRXOS-NPZQQZSLSA-N 445.520 0.527 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1cccnc1 1805436032 VZWKROKBSQOWRQ-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807074653 XBDVJOGITMJXGA-CEDBRAGKSA-N 438.337 0.454 50 20 ICGD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807366827 HMQUPJIMVWTLDI-SIKLNZKXSA-N 447.304 0.057 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@@H]2c2cccnc2)=NN1 1810223428 NSMZXKUDYOUZHK-GDLCADMTSA-N 426.246 0.654 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810297353 BRSCJEIZRPUATE-HNAYVOBHSA-N 440.504 0.561 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1c1cccnc1 1810305607 NAKRYEBOWPLHQS-SNRMKQJTSA-N 438.488 0.579 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1810540314 IQDYHPFCBJPJPQ-LPHOPBHVSA-N 432.601 0.779 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cncn2)n[nH]1 1817612716 YOMIEKOEYUZWBG-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561062 BOWQKCNCITWHMR-BDAKNGLRSA-N 427.918 0.642 50 20 ICGD Cc1ncncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819864752 HRTYUCOISZOBFV-GOSISDBHSA-N 434.265 0.808 50 20 ICGD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n(C)n1 1826080692 UMSRSYZIADZUAW-LLVKDONJSA-N 449.537 0.484 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827049167 ORHQWBYNNBXJPH-QUCCMNQESA-N 441.337 0.126 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827309644 SSASXRAVWRWKJR-GOSISDBHSA-N 425.298 0.340 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537039 ANFDNPMCRZNBOV-GTNSWQLSSA-N 445.314 0.666 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)c(=O)nc1O 1832771903 JHLPUNZTDWDDBF-HZPDHXFCSA-N 440.928 0.477 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnc1C 1833301382 VHQWPDLAFFTMCM-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1)[C@@H](O)CCl 1833306440 QWUGYNDCJXGTHL-KRWDZBQOSA-N 433.018 0.207 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410293 GKABENGKLHBMTR-PXAZEXFGSA-N 445.314 0.369 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826375 NAUDLFYEWZTBOK-BBRMVZONSA-N 439.372 0.342 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c[nH]1 1835222831 UCWKMMPFLWJDSM-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836413754 ONMOPSITUHFENL-NHYWBVRUSA-N 435.338 0.760 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717518 DJQQTKGYEZWGBG-IRXDYDNUSA-N 444.985 0.611 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)co1 1837422018 MZKYNRLEEOQJCK-BEFAXECRSA-N 444.988 0.495 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1837702909 PSVGVOJBTJXQKK-GLJUWKHASA-N 446.342 0.307 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838637669 XGVXYJMPKUXPBH-OAHLLOKOSA-N 431.917 0.545 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cn1 1839155180 MJTVQIMVJTWVPC-ZWKOTPCHSA-N 433.336 0.655 50 20 ICGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199984 BHNHILHKFPOJEY-CZUORRHYSA-N 434.237 0.981 50 20 ICGD O=C(c1cccc2ccncc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839507048 ZYRFOEPLXBBIIE-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839963639 QUVPQUZWWUVEHJ-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840089276 MKRULWCJMZDXSA-SNUQEOBHSA-N 437.896 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1840184799 CDMKCSFASPJCHP-NRFANRHFSA-N 436.484 0.269 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cn(C)c2ccccc12 10125562 RFKAFGDUWWVCCA-UHFFFAOYSA-N 438.488 0.800 50 20 ICGD Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 21127497 KMXGIJWKERPADG-UHFFFAOYSA-N 434.522 0.937 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 725878501 XXYQFKGTBASONU-UHFFFAOYSA-N 447.513 0.766 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnn(-c4ccccc4)n3)cc2)CC1 728214045 VUYXJSSURDUARZ-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COc1ccc(Br)c(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 728508074 CAUCZXMRBDJWNV-UHFFFAOYSA-N 431.268 0.518 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(C#N)c3)cc2S1(=O)=O 728827550 RYQRJVCYDWMEEZ-UHFFFAOYSA-N 428.426 0.424 50 20 ICGD CC(C)CCn1nc(C(=O)NNC(=S)NCCS(C)(=O)=O)c2ccccc2c1=O 729157732 HNSKVNIUSPXMJB-UHFFFAOYSA-N 439.563 0.596 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)Cn1ccc2ccccc21 729450492 XWCATJPAGSXDIV-UHFFFAOYSA-N 431.452 0.861 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c(OC)c1 729969145 NQYMLDKCLZNIIB-UHFFFAOYSA-N 425.401 0.924 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)n1 730323191 FPZQFAGSKMKCBO-NSHDSACASA-N 428.536 0.632 50 20 ICGD C[C@]1(NNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCS(=O)(=O)C1 733651488 JWYXCKKCCYXMBN-IBGZPJMESA-N 429.587 0.092 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 733755348 WTBFXTVKQNZMGI-CRAIPNDOSA-N 449.423 0.751 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C 734257389 VBROCEQPQRVPKF-UHFFFAOYSA-N 432.444 0.858 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2O)C(=O)C1 741282929 CVZBKQXVEWBUOI-UHFFFAOYSA-N 426.857 0.886 50 20 ICGD CCO[C@H](C)c1noc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 743576639 HVUZFZKORXJXFJ-CYBMUJFWSA-N 449.468 0.049 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325861 IVVUOKJYCSUQRN-UHFFFAOYSA-N 437.478 0.168 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 753842163 ZBOUMNVALQPXCI-ZDUSSCGKSA-N 433.490 0.516 50 20 ICGD CCc1cccc(CC)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755401025 NHEOZSVGBQLTLV-UHFFFAOYSA-N 427.465 0.411 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc2=O)cn1 760824472 NKUGSFLEEHNCKI-UHFFFAOYSA-N 428.836 0.302 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSCC(F)(F)F)CC1 762254904 QOAIFZRHLOWIQN-UHFFFAOYSA-N 427.474 0.756 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NN=c1sc2ccccc2n1C 762970722 CTGIUYZZTRWHFJ-NSHDSACASA-N 433.515 0.638 50 20 ICGD CN(NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 763281110 HFHRDVGQSCXMAR-UHFFFAOYSA-N 431.449 0.820 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1C(F)F 763531395 NNDPLUBBQRLGHN-UHFFFAOYSA-N 449.462 0.656 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763569720 ANZCPVSABXPYTP-KRWDZBQOSA-N 442.428 0.323 50 20 ICGD CN(C)c1nc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2o1 763574390 AIKKFZWBBYZDAC-INIZCTEOSA-N 425.401 0.820 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 763663391 HZMHSGCWBRPUER-UHFFFAOYSA-N 439.421 0.403 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763681146 KYQZRYBESHXDQN-UHFFFAOYSA-N 431.424 0.491 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(OC)ccc2OC)c2ccccc2c1=O 763785097 DNEPEGYCJFUSBV-UHFFFAOYSA-N 439.428 0.833 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763863885 DYPHJJGFLSHJJR-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763920777 DFTRGPYZZAWIBT-UHFFFAOYSA-N 443.445 0.609 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)cc1Cl 763999309 VGRVKBVDFMXJBL-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 764234793 ZVORARBMBPDLLU-ZETCQYMHSA-N 446.354 0.364 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 764274701 AXYCSYIMYGMOAG-UHFFFAOYSA-N 430.392 0.823 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1OCC(N)=O 764309547 PXAMXMDEIVDHLX-UHFFFAOYSA-N 428.445 0.623 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 764386603 BVXVCAABBSEJON-UHFFFAOYSA-N 443.395 0.526 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764404572 LLSDMZXNHGHQEL-UHFFFAOYSA-N 430.486 0.901 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 765407831 BXWIQADBFIAYSR-RYUDHWBXSA-N 428.467 0.200 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 766649056 MMDHSEQONYTHFO-UHFFFAOYSA-N 437.500 0.905 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c(C)c1 767852192 DSHSXWOHUSMYRG-UHFFFAOYSA-N 439.520 0.782 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 767852564 HNPJHISWYAQRSB-UHFFFAOYSA-N 425.493 0.473 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768244181 YZHKHIVOHFGEKT-UHFFFAOYSA-N 437.416 0.410 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276823 MXPCWEQQSPUNCH-TZMCWYRMSA-N 449.464 0.012 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cn1 770212687 QUICCYOWRAOOAH-UHFFFAOYSA-N 443.279 0.592 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 772220990 JFZDJONUXOLWCS-NEPJUHHUSA-N 436.556 0.247 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782552789 JUTKRUGHJITSSA-VIFPVBQESA-N 429.398 0.144 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNc2ccccc2S(N)(=O)=O)cc1 788231858 NMHCAVWEMUASFY-UHFFFAOYSA-N 442.519 0.544 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789818616 MOYYPJDXFLTRLA-WMZOPIPTSA-N 445.497 0.890 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1 790993679 IXHMGUATCIFJKY-UHFFFAOYSA-N 447.379 0.647 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 807370204 WRTNXIXBAQKSER-FQEVSTJZSA-N 432.477 0.922 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 807371162 FCVAGVVQUUAWQS-LBPRGKRZSA-N 426.495 0.440 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)N2CCC(C)CC2)c1 808068349 VECBUAZPFNEVNV-UHFFFAOYSA-N 432.568 0.928 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 815568475 JERHFRBUQWEMJB-SFHVURJKSA-N 433.472 0.528 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c2ccccc21 914750737 BFMXAWHARMKGIC-UHFFFAOYSA-N 432.458 0.867 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 915594806 YXRPJBCQLAOWPQ-SNVBAGLBSA-N 443.428 0.778 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N(C)C 916577584 OFNRCZFSUKNWHC-ZDUSSCGKSA-N 425.511 0.282 50 20 ICGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 917941444 RHVMPJCENZBXAS-JGVFFNPUSA-N 438.325 0.211 50 20 ICGD C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 919911883 VMPBEOHWOTYJQK-HNNXBMFYSA-N 448.549 0.981 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1n[nH]c2c1CCCC2 1318382668 UEBUOHMZRCDZFO-CQSZACIVSA-N 425.445 0.874 50 20 ICGD Cc1nn(C)cc1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1318576031 DMJGHTIGAFQNPJ-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)c1cnc(O)nc1O 1778006367 HWZLQLWDNVSPOF-SJKOYZFVSA-N 443.298 0.800 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778250796 UGHLNVXNFPVGQX-AVRDEDQJSA-N 430.505 0.193 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028564 MUQGPYGERQHXAY-FQEVSTJZSA-N 445.501 0.513 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccnc(Cl)c3)CCO2)C1 1779030828 IVZMEVZWNISQPU-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780772048 YSCXQTJTZIZYAA-PVXIVEMSSA-N 434.310 0.031 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)no1 1781330952 IYFNNDLOAQWGAT-GOEBONIOSA-N 447.261 0.832 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](F)Br)C4)C3)(C1)C2 1781333688 IRXVIKQTQZYLCM-QANALZHHSA-N 433.274 0.850 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)[C@@H](O)CCl 1784085148 CLQYNRCWDYSCFC-YFUQURRKSA-N 441.956 0.357 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C[C@@H]21)[C@H](O)CCl 1784085393 IRCZDJNEBGJEPR-OWLYRPNTSA-N 449.935 0.985 50 20 ICGD Cc1c[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787600036 QIRCUZLXPIJSIB-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788720421 OWNOYSGFFLQVEO-QRJUGERDSA-N 442.358 0.925 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](O)CCl)CCC3)cc2)CC1 1789212400 APYAMJXHKBVTDH-SFHVURJKSA-N 436.940 0.884 50 20 ICGD Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)cccc1=O 1789922216 IFQZPVXXSPDURS-UHXUCMFUSA-N 430.274 0.669 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1cccc1 1791511490 JECRFLKGUDGNRX-UHMOLFJZSA-N 425.294 0.022 50 20 ICGD CC(C)(C)OC(=O)N1CC=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975542 UPSKEIHAIOWNTH-FZKCQIBNSA-N 443.928 0.353 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnc1)C2 1796439436 DGAMPCPEYVLSBL-OBJZOTCMSA-N 441.492 0.168 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CNc2ccccc2O1)c1cccc(B(O)O)c1 1798364934 BNDHWVOWDGIBQW-IYWMVGAKSA-N 449.316 0.881 50 20 ICGD NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347999 WZZVJWZKMCIAEJ-INTNWOOBSA-N 429.246 0.074 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c([N+](=O)[O-])c1 1799401850 JWKZTPHTRIJSPD-VLWCASSMSA-N 441.868 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncnc2)[C@@H]1c1cccnc1 1805790608 AYPRNFHBVWDNLF-UZLBHIALSA-N 425.493 0.564 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1806766429 MRJBUWODKKCKAL-XJKSGUPXSA-N 432.340 0.917 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n(C)n1 1807369475 LACVVFCVTOKTKB-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD CN(CC(=O)N1CCC2(CCCN(C(=O)CN)C2)CC1)NC(=O)NCc1ccccc1 1809670185 FFIWPADZRBCRTP-UHFFFAOYSA-N 430.553 0.523 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980232 OZCDHAWMNAXDET-GOSISDBHSA-N 434.367 0.325 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873247 TYQPWVCFVXKGGI-KBMXLJTQSA-N 426.949 0.637 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(F)n1)CC2)c1cccc(B(O)O)c1 1815361061 VDKWEINBORBMGZ-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD COc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)cn1 1816611953 GTWHPXMHZFGLGZ-HNNXBMFYSA-N 444.496 0.887 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470321 OLKBSRBVVFVMOR-BOFPYLFWSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)c1ccc(B(O)O)cc1 1817470824 IEORVSIUEMZEIZ-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472542 WMRYEBZCMMLTKL-GUYCJALGSA-N 439.281 0.086 50 20 ICGD O=C(CCc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1824480108 IZTDCXORYBDJRG-PWSUYJOCSA-N 425.898 0.783 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)c1ccc(B(O)O)cc1 1828185467 UQXFEJAWQNWEAN-UKRRQHHQSA-N 429.307 0.475 50 20 ICGD O=C(c1scnc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724949 KFWURLHVMMMLHW-UGSOOPFHSA-N 429.926 0.690 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1830738894 WMYAKKHMJBHMDV-FRQCXROJSA-N 447.315 0.430 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(O)nn2)CC1 1831871381 CBJYJVGRYZMBIB-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831892762 BUPIFVIOMMHNAS-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD CC1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833306186 LWGAMRGGRYXILB-IBGZPJMESA-N 429.005 0.890 50 20 ICGD O=C(CCc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836053194 WVRIWJVUXVNJSI-WBVHZDCISA-N 445.289 0.556 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837640251 IQDAGXNNQCMROS-DNVCBOLYSA-N 427.933 0.636 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839147172 IJIISHVWNCZQEP-JXFKEZNVSA-N 435.912 0.746 50 20 ICGD C/C=C(/C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839824876 ZMFILKKSCYPSRY-KVICPXEZSA-N 431.493 0.543 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840030074 ZNLDGNGRPWKXHU-BZNIZROVSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840151729 MQXZMZZWFUODRF-KSSFIOAISA-N 444.941 0.279 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1840153034 BFURCVJAHRTGSQ-DNVCBOLYSA-N 428.917 0.788 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840153750 ZCAGZGQDDPOXMN-KPZWWZAWSA-N 433.839 0.684 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840185765 XAGKMOYRRYZYOQ-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)cc1 1841368594 BCRWQZDYIRGESG-GOEBONIOSA-N 443.953 0.465 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2c1 1843011407 ABWPOJONIHUGEH-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847832930 PBCMKYYLYZWCCU-WBKMXMRLSA-N 445.564 0.941 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847849687 LULQSHGMVARLFQ-CYDGBPFRSA-N 430.889 0.429 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)CNC(=O)c1cccs1 725740092 RGUBFOKWMWSGAY-ZIBATOQPSA-N 425.536 0.351 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc3ccccc3cc2O)cn1C 725879525 JECZBURXJXPHIH-UHFFFAOYSA-N 431.474 0.717 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O 726654036 JTBHJQCZTNXGIM-NSHDSACASA-N 436.852 0.897 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)s1 730077006 GTKMDXXSSGMSRY-UHFFFAOYSA-N 430.533 0.522 50 20 ICGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 730577197 PAMNQAFCWFWWJN-AWEZNQCLSA-N 445.519 0.105 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 733125417 GVYFSWSHONILFQ-CABCVRRESA-N 440.504 0.027 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1cnn(-c2ccccc2)c1 733339075 OFEJQHQNLQLLGT-UHFFFAOYSA-N 449.519 0.819 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 737065231 OJXGSIYVDOJSTP-OAHLLOKOSA-N 449.508 0.264 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C#N)cc2F)cc1 739666985 IBUVSIGMTNHUPP-UHFFFAOYSA-N 440.478 0.636 50 20 ICGD COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1S(=O)(=O)N1CCOCC1 740746810 ONLQVLRMVNYRSY-UHFFFAOYSA-N 433.450 0.139 50 20 ICGD Cc1cccc(-n2c(NNC(=O)c3cn(CC(N)=O)nn3)nc3ccccc3c2=O)c1C 742673383 RLIKIHNBXSXHNU-UHFFFAOYSA-N 432.444 0.836 50 20 ICGD CS(=O)(=O)NCCNC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 743530087 DRRNCTNQXIMGNX-UHFFFAOYSA-N 428.696 0.987 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)NC3CCCC3)cc2)CC1 744059421 FKBHCESLHGJGHA-UHFFFAOYSA-N 437.522 0.426 50 20 ICGD COc1nc2sccn2c1C=NNC(=O)C(=O)NN=Cc1c(OC)nc2sccn12 744565230 VBCVWLBRJHFDEQ-UHFFFAOYSA-N 446.474 0.723 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745445094 VHUWLSOUZHRCNO-LRZXTXFSSA-N 449.847 0.195 50 20 ICGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1 746111001 VTKGGRBDXIVJKI-IBGZPJMESA-N 435.488 0.870 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 748609988 HIISQBVVMLARPX-UHFFFAOYSA-N 445.425 0.971 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(C(=O)OC)c2)c1 751296954 AGMIEDDZZLTIGV-UHFFFAOYSA-N 434.474 0.974 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCCCO1 755064629 XXJVSVMDSKABQN-QGZVFWFLSA-N 439.534 0.747 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n[nH]1 755421549 GBDYTPYWVFWZPN-STQMWFEESA-N 436.494 0.983 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 761798800 HQVMUKCDJFHGOO-OAHLLOKOSA-N 429.502 1.000 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)n1 763881779 PVSMNDKRBTWZHZ-HOTGVXAUSA-N 428.493 0.900 50 20 ICGD CCN(Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O)C(C)=O 764275062 ILSXBLCZOGNBLT-UHFFFAOYSA-N 428.445 0.926 50 20 ICGD COCCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764426124 TUJAVUPNWXTSEU-GFCCVEGCSA-N 436.248 0.520 50 20 ICGD O=C(CSC[C@@H]1CCCCO1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733016 LJZCBJWBRRAXOJ-SFHVURJKSA-N 434.562 0.894 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 766264894 SEFBNHXBEIRAEI-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1CC(C)C 766755317 NLJCEDNXHLNQAC-UHFFFAOYSA-N 449.533 0.943 50 20 ICGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNc1nc(O)c2cnn(C)c2n1 768407097 MBKDSWYBOVIGAN-LBPRGKRZSA-N 436.473 0.178 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nccn3c(Br)cnc23)c1 769686106 UGIYTXCMZLJGCF-UHFFFAOYSA-N 438.263 0.970 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 771019969 HXXIEAFZFVKOTQ-UHFFFAOYSA-N 433.450 0.083 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772196870 SMHRSFUENQJJII-LBPRGKRZSA-N 430.848 0.918 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)n1 773726070 GYWMAIQPIXPWLX-UHFFFAOYSA-N 440.869 0.760 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@H](C)O)cc1 779540649 BYIDJSLJZHEHLG-HZMBPMFUSA-N 433.412 0.975 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)ccc1F 783263873 MIIHMFGKUWQALZ-UHFFFAOYSA-N 425.442 0.998 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 784002824 USQOACHCPRCIAN-OAHLLOKOSA-N 430.417 0.353 50 20 ICGD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784005060 YLQJXLSARZWQAS-UHFFFAOYSA-N 442.457 0.703 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c2ccccc2O1 784844053 FJLZISUCMZIJDK-MRXNPFEDSA-N 433.442 0.500 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 785024392 YLPAMFPPILEDNX-UHFFFAOYSA-N 431.405 0.641 50 20 ICGD Cn1cc([C@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C(C)(C)C)cn1 795174775 MPWMHZXTUHHIBM-BBRMVZONSA-N 427.465 0.289 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 802571111 KCGBNGBWNNYTTR-UHFFFAOYSA-N 440.384 0.329 50 20 ICGD O=C(NNC(=O)c1nnc2ccccc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 809957743 WKCWIMTZDMDBMT-UHFFFAOYSA-N 442.457 0.121 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)c1 810385568 UPCOHVJXXSWDFK-UHFFFAOYSA-N 425.488 0.714 50 20 ICGD Cn1cnnc1COCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 814724647 VGNDNJYHCVGIHC-UHFFFAOYSA-N 447.455 0.551 50 20 ICGD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 816886730 FWXSYLXDNSSFLI-LLVKDONJSA-N 425.405 0.556 50 20 ICGD O=C(COC(=O)COc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1ccc([N+](=O)[O-])cc1 825355281 ZVGDLNXQFAFBRK-UHFFFAOYSA-N 442.384 0.863 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC 913415667 JAHJKLSYYAQSED-UHFFFAOYSA-N 435.458 0.646 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)=NN1c1ccccc1 913471307 XOODWJOVBKWIAU-INIZCTEOSA-N 433.428 0.459 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 913534427 ACIAEVYACSGBLD-UHFFFAOYSA-N 443.485 0.444 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 914829967 KMAHKFALBCBBIN-OAHLLOKOSA-N 436.534 0.879 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 915045066 UTGUGLKXFLRFGJ-UHFFFAOYSA-N 442.475 0.066 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c2ccccc2c1=O 916258437 XGDJLSVYOJGCSY-SFHVURJKSA-N 443.552 0.632 50 20 ICGD CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 916483185 DDBKBHALORUKEP-UHFFFAOYSA-N 447.517 0.783 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(Cl)nc1 917251141 SEIKLQAHBSKKDA-UHFFFAOYSA-N 427.870 0.169 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 917717843 OEBLMAYZSLCBLK-UHFFFAOYSA-N 440.430 0.828 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cc(Br)cn2)c1 917909552 YLZHXWSJKYGGBE-UHFFFAOYSA-N 444.311 0.747 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)[C@H]2C1 1117533358 ZLASMXWLPNDNPJ-KKUMJFAQSA-N 436.538 0.571 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779275607 VVUAACOLWATFRD-FIXISWKDSA-N 430.807 0.206 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)C(C)(C)CCl)CCO4)C3)CC2)CC1 1781105898 JJUKQOPWAQATED-FQEVSTJZSA-N 426.989 0.861 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331351 OXUXVVIEGFKBJC-ZQIUZPCESA-N 429.290 0.472 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2n1 1783933729 GAWYSYLNNSSWIC-JOCHJYFZSA-N 443.504 0.953 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1783968488 VMADPQBNGXGJDD-QAETUUGQSA-N 446.386 0.719 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368833 BPHPQUZABBZAPI-QKLQHJQFSA-N 439.944 0.694 50 20 ICGD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC=CCC1 1784754431 ABHRHAZGLYYDSR-FCHUYYIVSA-N 427.505 0.875 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1786406971 KSZQEZDRMNCWDH-AVGNSLFASA-N 437.298 0.503 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNc4ccccc43)[C@H]2C1 1786879700 URTGLFJXJUMARZ-CAIZAGQASA-N 443.548 0.548 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788765107 HNALHRNGNFHXLL-BPUTZDHNSA-N 439.545 0.623 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292533 WXSFWKCKXIWTCG-QRFRQXIXSA-N 446.548 0.970 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)cn1 1794749040 AWVVMQFKQGHYPH-XFMPKHEZSA-N 429.926 0.991 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(F)(F)F 1795399771 WGXDBLTXVTWCOB-QHBPRCKVSA-N 429.399 0.231 50 20 ICGD COc1cc(OC)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1 1799641419 UUVYKRJTMNUBBL-REPLKXPHSA-N 438.289 0.949 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 1800576263 NXWFFMHBUCDTMG-FYXPVKHUSA-N 441.532 0.715 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c3c1CCC3)C2 1800758324 WSGGOICHSHXKIG-MCYUEQNJSA-N 425.327 0.895 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1800761599 BXSNBDCGIXDRDW-OHTBPHCPSA-N 425.327 0.895 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)CNC3=O)C2 1802337592 PPKDWRRDZFJSBH-BJWYYQGGSA-N 427.505 0.555 50 20 ICGD CC(C)(CCl)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1802898376 WADDIEOBOZJRPD-RHSMWYFYSA-N 435.912 0.904 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccnc1)[C@H](O)CCl 1803142244 BTAZMXDHTSGATI-YXJHDRRASA-N 433.896 0.980 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1803706905 HTVIZMJOGIETSA-REPLKXPHSA-N 435.289 0.890 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804182288 AYWLTHFDWYEERU-PBHICJAKSA-N 435.912 0.904 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccn2)[C@@H]1c1cccnc1 1805436036 VZWKROKBSQOWRQ-UZLBHIALSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnnc1 1805486537 NHFRLLVAHJYSFF-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1c(C(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)cn2[nH]cnc(=O)c12 1805523489 WJQVPJRSRCQHCF-HNNXBMFYSA-N 435.912 0.776 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807469212 QXQDFESAKDIWDB-UWJYYQICSA-N 449.276 0.015 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811084064 XYFCRBVEWANKPE-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813074371 QCZDIOHCZLGKJK-XMSQKQJNSA-N 441.536 0.437 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H](O)c1ccco1 1814458199 PGXNGNORNSSTCS-VQIMIIECSA-N 438.249 0.722 50 20 ICGD N[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)c1ccccn1 1817471690 WQCKCWULBUUPJN-QUCCMNQESA-N 448.292 0.490 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819449446 XNOGJRZAWRYVMY-WPKBUWHJSA-N 429.905 0.306 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@]3(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826261945 QDTONVRKYLHPHY-FMTVUPSXSA-N 437.689 0.973 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826326861 KEYZXQKGKCRRFF-CTDFXDFQSA-N 442.321 0.719 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054942 NDVLTYWLUNNUQV-WOJBJXKFSA-N 448.394 0.714 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122285 LBCRQWXHUVADHZ-UONOGXRCSA-N 443.386 0.868 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833145429 CJKHATWFVCJLLT-INIZCTEOSA-N 431.965 0.083 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833766834 WXUKFASGAAZPSD-LSDHHAIUSA-N 427.933 0.174 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n[nH]1 1833824330 JNEMVBAFXGODAM-LJQANCHMSA-N 438.557 0.534 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834656785 RYVZBKPNWCIYPT-NSHDSACASA-N 434.404 0.968 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819451 SBWHYNKRIOLQKK-KRWDZBQOSA-N 447.305 0.966 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835035023 IDCAXYAMFQIGEL-RXVVDRJESA-N 440.924 0.948 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193870 NYIMVTQYCZAPJC-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836440541 FVCWXWOFHNKEDO-JXFKEZNVSA-N 436.896 0.838 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837713220 PTNLKJUWDQRULR-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838095178 NBXCMPOXFIIRMJ-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cc1O 1839151542 VTLMYPSCHPJSBC-IRXDYDNUSA-N 435.308 0.432 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199315 NCGMVOPLWNYEGT-WBVHZDCISA-N 445.289 0.556 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839666863 JMELHONIIYSXES-ZUEVXXBESA-N 442.875 0.191 50 20 ICGD C/C=C(/C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839824875 ZMFILKKSCYPSRY-FROVVNCDSA-N 431.493 0.543 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1839963092 ZRKOFEKXXRLPMK-YJBOKZPZSA-N 448.358 0.485 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840031580 VEGRETIMVJFLJX-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840152139 YIAPLNOKOOUXPT-FXAWDEMLSA-N 431.961 0.573 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1840152676 PMPUYOOECMTSLN-UWJYYQICSA-N 448.907 0.954 50 20 ICGD CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840564479 ZVOGABZYHMZCDC-YJBOKZPZSA-N 434.375 0.814 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842156479 YKUPITYLIHHWQI-DHRITJCHSA-N 437.460 0.132 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H](N)c2cccc(Cl)c2)C1 1842939562 CUBWTKTXBUIYAK-QGZVFWFLSA-N 442.907 0.856 50 20 ICGD O=C(c1csc2c1CCCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013732 GEQBRPUZKMZYCM-UHFFFAOYSA-N 426.303 0.884 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1[nH]nc3ncccc13)C2 1843415801 OMBVWJAAGJUXIC-ZMOGYAJESA-N 434.460 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1ccc3ncnn3c1)C2 1843416408 GHYREOBOWOYYKS-CVKSISIWSA-N 448.487 0.609 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844333615 SWGQKUWRASGQFQ-STQMWFEESA-N 438.326 0.972 50 20 ICGD COc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1 1847401968 DLKCKNFYZIVEHE-OALUTQOASA-N 439.472 0.588 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2C1 24310197 NGDMYBGSUDUMAE-NSHDSACASA-N 444.517 0.471 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2ccc(OC)nc2)c1 729692789 QXQBTHOWBJJFTP-UHFFFAOYSA-N 439.519 0.646 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)COc2ccccc2O)cc1 730896275 QAECTJGHVWUEPA-UHFFFAOYSA-N 430.417 0.456 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)Cc2ccccc2F)CC1 731362671 ITDURSZBAAVPET-UHFFFAOYSA-N 428.468 0.996 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734672623 DDKUUPIRKPRLRN-SNVBAGLBSA-N 428.417 0.910 50 20 ICGD COC(C)(C)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745867445 UNHIRJXXNNONNR-AWEZNQCLSA-N 428.559 0.847 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747728295 YWTNZMNNQVLCBN-UHFFFAOYSA-N 449.471 0.314 50 20 ICGD CS(=O)(=O)c1ccc(NNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 748131454 NEXQUMFLWPYTRF-MRXNPFEDSA-N 444.469 0.464 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 750660833 WSALFRRYJWYJFC-CQSZACIVSA-N 439.538 0.345 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206941 OMWUZJFAPJMJKA-MPBGBICISA-N 433.465 0.294 50 20 ICGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 751208464 DLJUQGCMMNJKDM-IBGZPJMESA-N 429.458 0.093 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)c1 753947958 ITPULWHKWBQSKZ-GOEBONIOSA-N 442.538 0.855 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 756631098 ZJFNDHFMXRUUJC-UHFFFAOYSA-N 440.503 0.606 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 758047248 KDFNLYYUYRHDKZ-QMMMGPOBSA-N 437.375 0.729 50 20 ICGD CN(CC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)C1=NS(=O)(=O)c2ccccc21 763163776 GEECSXKNFAFUKU-UHFFFAOYSA-N 444.498 0.980 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763569808 BZTSHWDJRBQKFY-SFHVURJKSA-N 440.412 0.509 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1C(=O)OC 763624184 SWBWLMLWXPWQHX-UHFFFAOYSA-N 443.412 0.733 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 763645242 SMRMXMHKVOCLEY-GOSISDBHSA-N 441.440 0.797 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763860247 CFVKCTWHMYQTAH-UHFFFAOYSA-N 448.439 0.548 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1 763865066 IBNLLQYUSJILOC-UHFFFAOYSA-N 440.460 0.991 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(Br)c1 763998582 QACWWKZWTVQXNY-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764187400 FNUFAFAGPKTGSA-UHFFFAOYSA-N 432.477 0.834 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 764326090 ZRNJHZSDFMDFQF-UHFFFAOYSA-N 425.829 0.701 50 20 ICGD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851822 VNDDWVPUEPUKMY-UHFFFAOYSA-N 442.313 0.724 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)nc21 770979800 KQEAYZYCCQXQNN-CHWSQXEVSA-N 431.453 0.494 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)CNC(=O)OC(C)(C)C)c1 777917756 CUEXNAVIXCBCLM-UHFFFAOYSA-N 431.540 0.779 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)nc1 782148400 RBFVIFYVFWAWDA-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(C(F)(F)F)c1 783428832 XWXYPTSBXINJNZ-OAHLLOKOSA-N 436.412 0.800 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n(-c2ccccc2F)n1 784003280 CZQJTCHOHWKCBP-UHFFFAOYSA-N 444.448 0.897 50 20 ICGD CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004747 SEQQAPNAQYOTKF-UHFFFAOYSA-N 431.474 0.859 50 20 ICGD COC(=O)COc1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] 788699160 UZKXACHGXUXRMC-UHFFFAOYSA-N 439.388 0.950 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)ccc1C(N)=O 789734511 JNRAOLYUJCWZSG-UHFFFAOYSA-N 428.445 0.997 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)CN1CCCC1=O 789856357 FQYFHVPDNCDTNJ-UHFFFAOYSA-N 428.536 0.235 50 20 ICGD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 797537150 ALSMJHGVIKFYSE-OAHLLOKOSA-N 438.289 0.917 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 800595632 CZBPDJMXQCXAHC-UHFFFAOYSA-N 447.473 0.032 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNc3cncc(Cl)n3)c3ccccc32)N1 806998258 UCHHQHJYGBQBGJ-NWDGAFQWSA-N 430.852 0.609 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)c1cnn(-c2ccccc2)c1 810398173 IJEUKOWBBIKCLS-UHFFFAOYSA-N 435.412 0.890 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)c1 814698673 NVMMNIGERVJJFO-AWEZNQCLSA-N 445.563 0.693 50 20 ICGD CN(C)NC(=O)Nc1cccc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 819552425 VLGLFWKNSOCRHW-SFHVURJKSA-N 432.525 0.937 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 836520089 MADBWMDIILDEHW-ZFWWWQNUSA-N 428.486 0.376 50 20 ICGD O=C(NCCc1ccccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915885193 WDWWKMCLBPRUHP-UHFFFAOYSA-N 433.490 0.289 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 916391980 PBFJPIBCZAKEMQ-UHFFFAOYSA-N 439.472 0.476 50 20 ICGD CCN1CCc2nc3ccccc3c(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2C1 919888561 FWUVCVOVIODJOR-ZDUSSCGKSA-N 431.518 0.744 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCCCn3cccc3)C2)C1 1779196901 QXGYJXRVUMIAQC-QFIPXVFZSA-N 433.553 0.861 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2cncn2)C1 1779503498 ZBDYVFZSHJQSOM-YKTARERQSA-N 427.933 0.682 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1C)C2 1782003725 VEPJUDLJGWTQPB-UYAYXHRUSA-N 430.343 0.905 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c(O)n1 1782212261 NSUXKNPCPGCWEM-VGOFRKELSA-N 447.536 0.596 50 20 ICGD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1783142065 STRGOZOWEKEOHK-ZXSWEOGUSA-N 432.427 0.838 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1783884493 STRQYZGJGRKHII-KUDFPVQQSA-N 437.924 0.889 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1783937276 RFJGGPDJXQKPLS-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092772 VUGKXMBUEATTQY-TUUVXOQKSA-N 438.887 0.975 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1787507123 YNAYMUISZBDQQA-DPHSEWFKSA-N 445.505 0.265 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 1788610842 XTQOQGSBFCMJRP-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1792336622 VXYWTZLOYRGOBG-AJNGGQMLSA-N 445.944 0.623 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1792867459 BUAAJLMKFXVLKK-RKOFLFEYSA-N 439.354 0.572 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C)C2 1796439478 GZPZBLDXMFWRQY-SNOXVSQISA-N 441.492 0.066 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc1C 1797749596 GMEPRNDXPSMWNU-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2 1797750757 SCTMJSHHOUOTRD-IVWMJMPLSA-N 449.471 0.030 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2 1797751529 CVFNJONATFDMHI-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)cn1)C2 1798439212 OXGHBSBTRUCVTJ-MUJYYYPQSA-N 426.452 0.714 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1798487476 BGHVMMSPPNEFPS-FAXLKDOZSA-N 435.868 0.243 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1799273557 AMIHENHCWJDFCI-XBCDXLOZSA-N 432.304 0.127 50 20 ICGD O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804191308 XHNRSXXRAGKDDR-RISCZKNCSA-N 428.276 0.443 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806105725 BCVAFQFJNMRDQM-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807369416 JADMWGTWPHPYET-XLIONFOSSA-N 434.261 0.691 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967378 FLQUGAOOGRDUPU-FQEVSTJZSA-N 427.354 0.696 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810793867 OCSVGKWXOBOTAM-APHBMKBZSA-N 433.852 0.489 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812403479 APAARPOXFPFCSP-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD CN1CCC(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813068058 IBTSOMOQEXBOKC-DENIHFKCSA-N 444.580 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@]2(C)CCCN2)[C@@H]1c1cccnc1 1813074373 YCXLOJAUIXRVDQ-UCNVEGJOSA-N 430.553 0.603 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)O 1815080970 WRUPXRPLVRQSGI-ZYHUDNBSSA-N 428.587 0.969 50 20 ICGD Cc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815340967 RHOAONRHNCQHCB-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC=CO3)sc2C1)c1ccc(B(O)O)cc1 1819729963 CNNLYIXGOCQMFC-GDBMZVCRSA-N 427.291 0.741 50 20 ICGD CC(C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793448 NPMQYAAZZXYJJN-ZUZCIYMTSA-N 432.506 0.384 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)on1 1819795952 WGBGKSQANPMABU-JTQLQIEISA-N 441.473 0.978 50 20 ICGD CN1CCN(C2(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@H](O)CCl)[nH]n3)CC2)CC1 1820794100 RKZKNXUMBFNRKT-JKSUJKDBSA-N 438.960 0.782 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@H](F)Br 1820930452 FYKUHWSPOKIHJD-RNCFNFMXSA-N 445.249 0.644 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)Br)CC1 1826935026 MQOSKLWXPZAVNC-NFAWXSAZSA-N 435.338 0.889 50 20 ICGD Cn1c(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc2ccccc21 1830429142 WFPSMHQQPKQPHH-KNQAVFIVSA-N 449.935 0.777 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830538324 BWZMLQIZNZDMMM-IYOUNJFTSA-N 448.358 0.341 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1830543309 PQSQWIUWICRSRV-DEYYWGMASA-N 446.342 0.095 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)CCO2 1830718895 SLRGQXFKRMYTJX-ZKNHNOBHSA-N 446.928 0.286 50 20 ICGD COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724634 ADOBWNLAAYBBCF-UZLBHIALSA-N 441.912 0.079 50 20 ICGD Cn1ccc2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c21 1830728254 REYKVIIMHRXMJD-DYESRHJHSA-N 435.908 0.848 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731051 HGNBWRKWPIUYOI-SUMWQHHRSA-N 428.898 0.294 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1831457227 FNJVBQVVACVUCE-IBGZPJMESA-N 442.321 0.553 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833097417 QOMJOURTVIMXOY-ZWKOTPCHSA-N 430.977 0.727 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833468714 VYMDJDXFTJYLBU-LJQANCHMSA-N 427.885 0.421 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1833815647 QHTGOJBKRPCTIZ-BBRMVZONSA-N 431.262 0.546 50 20 ICGD CCOc1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1833949861 LCGHDCHJRPDXKC-KRWDZBQOSA-N 439.944 0.660 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834298498 JYGUXZLXJDNBIJ-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc2cn[nH]c2cn1 1835639259 KZBPZBTVYYNERY-GOSISDBHSA-N 434.928 0.743 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835800957 DZSPAJDQPSSZNK-INIZCTEOSA-N 447.355 0.889 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839116805 PBSJLXUIQONHNE-OXJNMPFZSA-N 429.945 0.061 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839967405 LJIQNQWZUGKLPB-JSEZXORMSA-N 431.327 0.509 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840030553 PDZHHOIBWSCEAQ-RKVPGOIHSA-N 432.359 0.711 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840032681 HFGISZAEDCLDOR-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840033772 PROBTZDNVNHHFB-SJCJKPOMSA-N 431.283 0.625 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840153296 JRAXHUDROBJWTQ-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840154512 XXOUPKBKVJKEDQ-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1840407367 JQKPFZACRMKZRM-DAYGRLMNSA-N 443.342 0.992 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n(-c2ccccc2)n1 1843011257 KNPBVIPOVINGEL-UHFFFAOYSA-N 444.300 0.991 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014830 HAFOPGOEXHFPIQ-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2C[C@@H]3C[C@H]3C2)C1 1844189169 MXLLXKNKJDAFML-ODVVRYSGSA-N 426.521 0.664 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncccc2C(F)(F)F)C1 1844530458 VDGCXCTVLYALOH-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1 1846362241 TXCCRRCTEBGIHZ-KGLIPLIRSA-N 433.933 0.983 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 14106937 XIUWRPYZPKGVQS-UHFFFAOYSA-N 437.566 0.018 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)CCOc3ccccc32)c1 21869481 ZWKMZUZGYZHRTB-UHFFFAOYSA-N 446.485 0.514 50 20 ICGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 108496943 PNNDVXTVURLNKN-IBGZPJMESA-N 437.460 0.643 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)cc1 725960434 UBJMSXFJGVJGON-MSOLQXFVSA-N 443.431 0.714 50 20 ICGD CN(C)N(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCS(=O)(=O)C1 728177616 FYJNUESEYNFDAR-CYBMUJFWSA-N 426.451 0.775 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 729693439 YZLFNOYYGYPBRK-UHFFFAOYSA-N 434.503 0.914 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 732264192 CYLZZQPOBMEHGM-UHFFFAOYSA-N 428.474 0.409 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474794 WPFDPIOXOANNEG-CJNGLKHVSA-N 446.501 0.412 50 20 ICGD COc1ccc([C@H]2[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CCC(=O)N2C)cc1 734321384 HEIRAPYKVKPUAL-BEFAXECRSA-N 428.445 0.775 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 742037221 UHZIQNRPCYHKDK-LBPRGKRZSA-N 432.506 0.575 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)C(=O)NC(C)C)cc1 744446489 AEVLMZQXKKDJJQ-INIZCTEOSA-N 438.506 0.104 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1 746033956 QIEKHRLECXRZJW-ZDUSSCGKSA-N 429.520 0.427 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNc2nc(C)cc(OC)n2)CC1 746758052 KEKOWEXPYKDNAR-UHFFFAOYSA-N 437.501 0.937 50 20 ICGD COc1cc(C)nc(NNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 746765379 QFOWXRJYBNHMJT-OAHLLOKOSA-N 443.512 0.715 50 20 ICGD O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 748343654 LLIFWDHCWVLKAU-FQEVSTJZSA-N 440.504 0.764 50 20 ICGD O=C(NCc1cccc(F)n1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749237860 BLPGJSCNWCJUCP-UHFFFAOYSA-N 437.453 0.386 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)cc1 749277280 BBHUAVKCKMHIPF-UHFFFAOYSA-N 437.416 0.238 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 755261518 XSDVURQXOCTSSR-DSIZOQBWSA-N 442.472 0.845 50 20 ICGD NC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 757739022 YLKJFZGDBOGCIY-UHFFFAOYSA-N 432.462 0.432 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1 758746728 YGLKAIIPUMVNAJ-CYBMUJFWSA-N 430.502 0.985 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)Nc1ccccn1 758828319 RSHBLGOFYJNTNL-NSHDSACASA-N 446.261 0.983 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1C 759687908 CZGMQOHRMRKUPI-UHFFFAOYSA-N 433.486 0.838 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760280110 QYLJIJMKABCBRC-KRWDZBQOSA-N 439.403 0.996 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2c(C)nc(O)c(C#N)c2C)n1 762293037 JOPUHWBUBIKSEH-UHFFFAOYSA-N 431.474 0.907 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCN3C(=O)CNC(C)=O)n[nH]2)cc1 763165394 QHKAQCDSSUIKTL-SFHVURJKSA-N 426.477 0.527 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763571974 JYXUXQDDTXEARC-OAHLLOKOSA-N 432.820 0.626 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1 763628650 DNOONPUZCFURMC-UHFFFAOYSA-N 439.428 0.903 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1NC(C)=O 763673741 JMHNIXOOUIWXGM-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764040312 FBWQTPHZMJGXSE-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1-n1cnnn1 764249889 GEVNJMWRZAGHSO-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 765405657 RJSWDUGTEVMVJS-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD O=C(CSc1cccc[n+]1[O-])NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766641553 HFPWJDKYSZVHFC-UHFFFAOYSA-N 429.502 0.018 50 20 ICGD C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 768122123 NSYQUAHSNPTAHU-ZIAGYGMSSA-N 440.522 0.608 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 771940896 RJZULCJOBFTEIV-ZSEKCTLFSA-N 430.461 0.505 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778709635 JLWGMRZCTAFWIC-UHFFFAOYSA-N 434.449 0.688 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1 782146043 UWTQKUGWTKDPTI-GFCCVEGCSA-N 437.478 0.485 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783264419 PBMJHVOOMLLELE-UHFFFAOYSA-N 448.505 0.486 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)c1 784969888 BGVPYVWPZQMLCJ-UHFFFAOYSA-N 438.448 0.905 50 20 ICGD O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCCCCl)cc2)C1 788047082 MSPLHFLXCXXXFT-ZDUSSCGKSA-N 444.984 0.913 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789817768 JDYDOKCPMWIOOS-IRXDYDNUSA-N 446.485 0.253 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 794599201 WIEPPHSOVNHECT-UHFFFAOYSA-N 425.394 0.760 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)CC1 796380331 CDDUWGSWCLUPLQ-UHFFFAOYSA-N 449.327 0.395 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc1 796992144 NVLLJZIHAHRMQT-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1 796992429 RFLNMDZPYIENNL-UHFFFAOYSA-N 428.401 0.248 50 20 ICGD COCCN1CN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1=O 800984706 YWUIXTMYRRUCAA-LLVKDONJSA-N 429.271 0.705 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 811305874 WLDNSVMGLFQMLL-UHFFFAOYSA-N 448.501 0.628 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCCN1C(=O)OC(C)(C)C 814877760 YTNWMIKUUFRYKK-CYBMUJFWSA-N 447.496 0.325 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNc2cccc(OC)c2)cc1 825805374 CIDPEZMACFSGFR-ZDUSSCGKSA-N 436.490 0.630 50 20 ICGD CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(C)=O 884742299 RHXIWJRRHSJWDM-MEBBXXQBSA-N 432.930 0.902 50 20 ICGD COc1ccnc(NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 914762982 JAESBRWWWRLVPT-UHFFFAOYSA-N 437.478 0.201 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916144890 VHKOIUMYHMEIGN-KRWDZBQOSA-N 436.411 0.341 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H](C)CN2CCOCC2)c2ccccc2c1=O 916470837 TZVBHPAVMJPGIH-HNNXBMFYSA-N 430.509 0.861 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 916830426 XSIKJEDBFZWKRN-UHFFFAOYSA-N 429.389 0.428 50 20 ICGD CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 917226931 UTTGQKYDBOJTQH-AQTBWJFISA-N 428.489 0.768 50 20 ICGD Cc1sc2ncnc(SCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1C 919886458 TXWKCUDGENNFND-JTQLQIEISA-N 429.549 0.918 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1I 919886859 VWRDMEGLTBHCTP-VIFPVBQESA-N 437.259 0.731 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 920825907 MNENJRGPBMSPGJ-UHFFFAOYSA-N 427.438 0.447 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2c1=O 1115884388 WNUUMBHNKUJROZ-OAHLLOKOSA-N 448.483 0.710 50 20 ICGD O=C(COC(=O)[C@H]1COc2ccc(F)cc2C1)NNC(=O)[C@H]1COc2ccccc2O1 1320296052 DVRBWOOHDFXOFY-FZKQIMNGSA-N 430.388 0.907 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1779031476 AMHTXPFUAOTBHX-QHCPKHFHSA-N 448.483 0.924 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782154705 BKIIRQUMTSNQTB-IXBXCVQTSA-N 442.940 0.855 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnccn1)C2 1782214637 XNCGQVQWEPRCNU-XMSQKQJNSA-N 446.552 0.296 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782273532 GRHFOYVXXWTGBZ-UHQDVWGKSA-N 430.343 0.810 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782534817 JKLUNCJBEHWFGA-QCBUCWTNSA-N 425.913 0.963 50 20 ICGD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782860897 DWKNKIPNURWSAL-OMKLEDIQSA-N 432.427 0.838 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccccc3O)C2)C1 1783238444 CRDFMNZJGZQASC-JOCHJYFZSA-N 439.472 0.077 50 20 ICGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1F 1783702012 BKXHBRHQSSTEIM-VDGAXYAQSA-N 440.280 0.721 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950506 PPASZTPPFAIAAT-QGZVFWFLSA-N 427.325 0.690 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]21)[C@@H](O)CCl 1784093207 RYEDPNRQTCLPDP-WNHJNPCNSA-N 449.935 0.612 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249477 AIHKKYXEZSAKAW-JKQORVJESA-N 440.928 0.368 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1785546666 IUQVBJWSISVAFR-CQSZACIVSA-N 426.347 0.480 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786979456 KWXKFLDEEUHJRK-SZFLOTBDSA-N 449.316 0.169 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21)c1cccc(B(O)O)c1 1786982252 UXOYHDSKLZAZHW-FZCLSBEQSA-N 436.264 0.395 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788771082 KTZDXVYTDFMZEI-CHUNWDLHSA-N 448.358 0.148 50 20 ICGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789536217 GMHQIECDWNJAFW-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1OC 1789542090 RFGYIALTTYAOOQ-XSWJXKHESA-N 426.897 0.897 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1790961709 OUPUSPXOPOQHEP-QAETUUGQSA-N 445.402 0.387 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(Cl)Cl 1791296539 WYKKVKORMSUVOR-GVXVVHGQSA-N 447.275 0.540 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771214 DAVHSPAIORUNJN-FQUUOJAGSA-N 439.372 0.574 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782939 JUMWEZJJPNFBMT-LXTVHRRPSA-N 447.960 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12 1793066651 YIWHOKBERBEUHS-BJWYYQGGSA-N 426.521 0.888 50 20 ICGD O=C(Cc1ccccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795227458 JCTQFKIBHPPBBF-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(B(O)O)c1 1800349290 OPCNJSIKPWHHIR-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD COc1ccc([C@@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1 1802329203 NLEZPIKBRJQKIR-KYFSNAEOSA-N 432.521 0.740 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2(F)CCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374316 JRKLEOAPQCIZKB-HKUYNNGSSA-N 425.269 0.973 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1812865662 RPRCTSLIBCSTTH-AHLTXXRQSA-N 425.283 0.979 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1813030032 CXKCOXAZSHIQJL-BJLQDIEVSA-N 437.972 0.589 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1813030602 JXYJLRKATYLLCA-WCVJEAGWSA-N 425.917 0.788 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1813638001 DOKWSJPJJQQRFX-UWJYYQICSA-N 431.537 0.766 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C2(F)CCC2)[C@H]1c1cccnc1 1813681629 DNMTWCWEZDSKKV-IEBWSBKVSA-N 425.269 0.973 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)COC)[nH]n1 1815168041 MHAPMFBPAOCICC-DYEKYZERSA-N 449.961 0.983 50 20 ICGD O=C(CCc1cn[nH]c1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337060 KUWAXUUMEASAAT-OAHLLOKOSA-N 439.306 0.405 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815343806 PZDMFOGNEFPQBR-GDBMZVCRSA-N 442.350 0.391 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)c1ccc(B(O)O)cc1 1817470676 GEDBFUNOIYDDDD-GOSISDBHSA-N 434.265 0.428 50 20 ICGD COC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795257 LLLKDFMDJHHCIL-SNVBAGLBSA-N 446.489 0.321 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1819852251 VLVMUKQFSXMTDA-DRZSPHRISA-N 447.897 0.150 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820856557 FVPUCUZAPGSUTG-BXKDBHETSA-N 433.860 0.859 50 20 ICGD N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004823 WEFYEZASEJHNRR-WRWORJQWSA-N 433.307 0.586 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cnccn1)CC2 1826083880 UFOJYVPPUGCKNM-LBPRGKRZSA-N 431.522 0.461 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cccn1 1826092276 XEOXFZWPXROLAQ-CHWSQXEVSA-N 433.538 0.886 50 20 ICGD N=C(N)SCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051423 YIRCHQZPHXMTII-SFHVURJKSA-N 446.382 0.616 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3)sc2C1)c1ccc(B(O)O)cc1 1827284389 JXTLNGLOIPQBBE-ZFWWWQNUSA-N 431.348 0.944 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830545147 GPCBOTSEUAAYPI-PBHICJAKSA-N 444.330 0.156 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738573 QCODYKPKIGVZRL-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1831654368 SWLBWSIXUJQEDV-KSSFIOAISA-N 434.990 0.334 50 20 ICGD C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(F)(F)F 1832160178 BUPFNAUVMMOHGE-CVEARBPZSA-N 442.507 0.608 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(=O)oc3)CC2)CC1 1834341016 UIRHKBITFBTXBX-UHFFFAOYSA-N 447.536 0.198 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834819113 HMGLJLMDMCURBF-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628668 FGQGFSQLGWZEGR-YVEFUNNKSA-N 445.314 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837289801 XEPLYAZXKKPXLS-SAGLZJIZSA-N 429.945 0.037 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837949106 JAYWVOOSIYWFNV-MRXNPFEDSA-N 433.248 0.049 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)CC)CCO3)cn1 1839143132 MDJRBVMYKLXDPP-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149867 URNPPVVOPAANBL-JLSDUUJJSA-N 438.352 0.594 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)s1 1839198801 BQKCYRHNVNZESD-IINYFYTJSA-N 437.291 0.486 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1O 1839473140 IIYSWUOEFCWZMH-LPHOPBHVSA-N 443.859 0.955 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031133 GJPKJIBCWYVXON-APPDUMDISA-N 447.305 0.721 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840153478 PQGAOVYLZCNECR-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2NC1=O 1843014470 MVRLPIAJAQMAKA-CQSZACIVSA-N 449.272 0.217 50 20 ICGD COC(=O)CCCCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846428084 KDJFLPOUVUJDNT-UHFFFAOYSA-N 431.493 0.626 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 21198990 JYOSQFDZKGHYKL-UHFFFAOYSA-N 435.462 0.986 50 20 ICGD C[C@H]1CN(Cc2cccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)c2)CCO1 726241973 QPJXJZAKXQRLTI-HNNXBMFYSA-N 429.477 0.761 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 726282215 KXTMOOPTTONDEI-NRFANRHFSA-N 425.445 0.959 50 20 ICGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 727853589 NKNOASHQVUYKFP-FQEVSTJZSA-N 447.495 0.701 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 728957280 QOCFRECXCMGQFD-UHFFFAOYSA-N 435.481 0.901 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1 731891114 JOCXMNCFHUQBEQ-OAHLLOKOSA-N 438.467 0.773 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 743635631 DJVLTJRUUJRILA-BEFAXECRSA-N 440.456 0.837 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 748128926 GMLYOFZYKGDPGI-UHFFFAOYSA-N 444.469 0.761 50 20 ICGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 754801920 IYBMWTBUKKDPCW-UHFFFAOYSA-N 447.455 0.689 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 754820655 LOBZFXWSOAALPQ-CQSZACIVSA-N 435.437 0.872 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 756066310 MGIGYYWEOIZFIT-VIFPVBQESA-N 432.384 0.874 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNc1ncccn1 760106175 DEMYEBNICQYLBW-NSHDSACASA-N 446.411 0.551 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCCCOC)cc1F 762472984 VRCFGDMUQKWUKB-UHFFFAOYSA-N 426.492 0.506 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cn1 763629879 QWALXGGPWHYCPP-UHFFFAOYSA-N 441.448 0.537 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c(C(=O)N(C)C)cc1OC 763931309 FLYQKRIEQPTFKG-UHFFFAOYSA-N 446.435 0.873 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 763932441 PNFIJJOJBWKIPG-UHFFFAOYSA-N 446.847 0.571 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 764202978 GQVCKALMVDNAJO-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764344271 WLOSUBDDMVOJFE-QGZVFWFLSA-N 439.472 0.662 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 764344959 MMEZBIYNUKPPGC-QGZVFWFLSA-N 438.444 0.157 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cccc1C(=O)N1CCSCC1 764353441 GTTOVVBKWVYGIK-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 765404111 AMVJGDBUMXRHTE-UHFFFAOYSA-N 442.494 0.976 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(CS(C)(=O)=O)o3)CC2)cc1 765748825 RAUUJGQUHRFOED-UHFFFAOYSA-N 448.545 0.711 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766661694 YKIAYKUNNCEVDV-UHFFFAOYSA-N 444.985 0.676 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(O)c2)c1 769620416 CINAOQJBDAPHPY-UHFFFAOYSA-N 444.444 0.947 50 20 ICGD C[C@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 770967678 RSKCXHZMOSXHBL-WECGXBHGSA-N 443.464 0.281 50 20 ICGD CCOc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c([N+](=O)[O-])cc1OCC 783999367 NEKRICKINXVCMF-UHFFFAOYSA-N 437.409 0.101 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1=O 785659412 ZWDLKAYAWJSEKT-QZTJIDSGSA-N 430.505 0.632 50 20 ICGD COC(=O)c1cccc(Cl)c1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 790054232 WPACYCWYHAWNPA-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc2c(c1)OCCO2 794411241 DOSSRUUJWIOBHZ-UHFFFAOYSA-N 444.469 0.738 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 796992960 YEUGFJZGBHHPND-KRWDZBQOSA-N 441.444 0.778 50 20 ICGD Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806467860 MUDOUCKBSWIJHM-NTZNESFSSA-N 436.498 0.320 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806568980 GMVBTSZMJDMSAO-BXKDBHETSA-N 444.407 0.746 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 806972524 CTICMEURQUPFFN-UHFFFAOYSA-N 439.520 0.518 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 806975105 NRWQUPXLHXSSNV-UHFFFAOYSA-N 437.456 0.873 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)cc1 813033190 IXCQFPCMTZTGCO-UHFFFAOYSA-N 429.462 0.804 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1 813033369 PXYYAJGBHLGCNK-UHFFFAOYSA-N 443.485 0.871 50 20 ICGD CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NNC(=O)C(=O)N1CCCC1 815164429 WWWZKCWDEJJDAT-OAQYLSRUSA-N 427.461 0.145 50 20 ICGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693245 QBAPPGLZHIIRGY-ZDUSSCGKSA-N 428.449 0.537 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CC(C)C)c1OC 849208728 OXCWIXLXIMTGNH-UHFFFAOYSA-N 429.495 0.532 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1 913429573 JJFZSWBEMUCCEV-UHFFFAOYSA-N 428.417 0.511 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccn2)CC1 914574374 JFYSXGRWUDWZSX-UHFFFAOYSA-N 431.880 0.963 50 20 ICGD COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 916096587 XDVVULNAGZISOZ-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)N[C@H]1CCS(=O)(=O)C1 919887238 YJEZYAFFCBFFJO-OLZOCXBDSA-N 441.485 0.587 50 20 ICGD COCCCNC(=O)NNC(=O)CNC(=O)c1ccccc1I 920889002 GUSKBLYADBRODL-UHFFFAOYSA-N 434.234 0.388 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 920934947 QTMPAXFLMZCYKP-UHFFFAOYSA-N 445.457 0.608 50 20 ICGD NC(=O)[C@@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(Cl)cc1 1356377734 DLYVYEULTKFQMM-ZDUSSCGKSA-N 438.897 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1780999220 TYQBYDOPCCJREA-ITSXBRTRSA-N 444.536 0.292 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781223736 CWVVRZBJPVTQOQ-ROUUACIJSA-N 429.304 0.860 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781839898 QCGNODFZLMNVSB-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782018995 LKLAIAPOPFNNAF-XLIONFOSSA-N 433.896 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1782175913 RYNLNKDQDOIMBE-MBOZVWFJSA-N 430.977 0.002 50 20 ICGD O=C([C@@H](F)Cl)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809968 IBAJHHQBWFEKAQ-LXGFNABISA-N 439.915 0.986 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784207546 YDXSWPKVMZEJDY-MHECFPHRSA-N 436.317 0.689 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1785729008 XGFRUMALEUMSOI-IQUTYRLHSA-N 449.907 0.987 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccs3)[C@H]2C1 1785906943 QMKKVZJLLPKVMS-RCBQFDQVSA-N 429.502 0.654 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC3CCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984472 JSXZSFUMYLBIIQ-JBACZVJFSA-N 428.338 0.930 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788147427 FTYZOYLZAYRQSQ-WNHJNPCNSA-N 449.935 0.612 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792981402 XNCRJMHTNBSJSI-JLUCKKNBSA-N 432.304 0.937 50 20 ICGD COc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n1 1796188251 HAHRMDGJIYBUIA-ACDBMABISA-N 437.305 0.655 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362655 AOSOPWXRGYRINK-KHMAMNHCSA-N 449.907 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)C)C2 1796440251 JMXREAKVLWRKFN-ZPHZMXASSA-N 432.525 0.098 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(C)c1)C2 1796440539 OVNXLRUDNCIZIH-KXJDEQQPSA-N 426.477 0.660 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1C)C2 1796441260 PBJINOVYTFSYMH-SNOXVSQISA-N 441.492 0.066 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799152230 VJBUURFFBBQCMM-GHHWKCCRSA-N 437.613 0.829 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n(C)n1 1805646015 PUTFIXOWBUUBSE-UWJYYQICSA-N 441.536 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359038 DGRPSJCMHSYUCR-SESVDKBCSA-N 437.305 0.650 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccns2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360572 CICGEVYVUBKFTI-QFBILLFUSA-N 436.302 0.851 50 20 ICGD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369321 GDEFYJWSIHBOSM-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807768953 QJMIKONGPWBJGW-UWJYYQICSA-N 447.304 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1808256106 YWMSUWAKHYIMOI-IIBYNOLFSA-N 427.509 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1)[C@@H](F)Br 1808675864 HNKQLKKNRMRJSS-YYFQZIEXSA-N 429.290 0.501 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1C[C@H]2C[C@@H]2C1 1809978762 OYSPXOURXOCZLF-MISYRCLQSA-N 439.365 0.551 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978819 UPQCSBNMXFTSEG-PMERELPUSA-N 434.367 0.370 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)Br)[C@@H]1c1cccnc1)C(=O)O 1812863129 DBMMPQNOOGKOEY-MEWXFMAXSA-N 441.326 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1 1813073893 POGFYKQHTOMJLP-HRAATJIYSA-N 440.504 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1813276715 QAMWZBLKOWVJLZ-HTAPYJJXSA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1 1814159070 NVBKVNUHVQBBJO-DBXWQHBBSA-N 431.537 0.887 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(=O)cco1 1816650031 FTCLYBIEQWXFDG-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD O=C(CCn1ccnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822810026 RSNZPYMNCOGAJH-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822864134 ZXOIVNKFIMECEV-OMQMVUIESA-N 436.365 0.884 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC=O)sc2C1 1822892759 ZNRYQINARXUPNP-CRBXYRESSA-N 445.505 0.324 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824398379 SFFVOHJZRYXHAN-OXJNMPFZSA-N 443.353 0.514 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1ccc(B(O)O)cc1 1826099356 XNNLLWGYCZNJPZ-SNVBAGLBSA-N 428.106 0.852 50 20 ICGD O=C(CN(CCO)CCO)N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826103694 XQDKWVXVGWXLES-VIFPVBQESA-N 425.338 0.145 50 20 ICGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](F)Cl)CC3)c(=O)nc1O 1827992099 LXLNRFMSLTUZLR-PRHODGIISA-N 429.861 0.860 50 20 ICGD CNC(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923716 VTUAWTZHZQWUOJ-KRWDZBQOSA-N 430.509 0.055 50 20 ICGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1829890449 FLPTZROYHYTYBZ-FQEVSTJZSA-N 427.618 0.636 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1830532996 CVHBVOGYVKARRU-RKVPGOIHSA-N 443.342 0.932 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)[nH]1 1830534556 BODUOQUVOZJEEU-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544378 WWBJKNMVJBWNFS-DYVFJYSZSA-N 434.331 0.000 50 20 ICGD Cc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830723069 KYPUPJAQTRFEFC-FXAWDEMLSA-N 426.897 0.430 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733836 UYTUUMDZPITRMC-OXQOHEQNSA-N 429.945 0.061 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831646645 MPGHTVNWMGHLQS-SJCJKPOMSA-N 429.861 0.795 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833387445 OTYAZDOHZIZTLM-ZDUSSCGKSA-N 445.358 0.794 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834822116 AHMBKSAKBVTAGH-KRWDZBQOSA-N 429.315 0.827 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839017490 OZRPMBPQJBJUEI-FXAWDEMLSA-N 426.897 0.755 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153140 BUNSQRXZTZGFCA-XWIAVFTESA-N 436.336 0.370 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274279 CHEQXTOAYBHYEB-LBXVMSDZSA-N 428.602 0.845 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1846361418 SIDKPTUYHZQCKY-HNNXBMFYSA-N 449.939 0.479 50 20 ICGD CC[C@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 729231428 VWZMVVTWEMNTOV-YOEHRIQHSA-N 434.474 0.956 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 731873854 AERXPCMEBDJCIR-XHDPSFHLSA-N 430.373 0.780 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 732261935 HCAQPCJHBFNOBU-RYUDHWBXSA-N 432.930 0.508 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)COCc1ccccc1 737634674 LSIXPOCCWIWTGN-UHFFFAOYSA-N 434.470 0.986 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OC 739668860 VHTYYRBZLVXNFU-UHFFFAOYSA-N 427.460 0.283 50 20 ICGD Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744545300 JMOAAOARGVSEJF-ZDLGFXPLSA-N 449.402 0.995 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2)C[C@@H](C)O1 745992618 FRQIXBPJARUVCE-OKILXGFUSA-N 426.495 0.171 50 20 ICGD CCN1CCO[C@H](C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 746095523 SNVGIUSCKXGICR-IBGZPJMESA-N 435.484 0.927 50 20 ICGD CC(=NNC(=O)Cc1cn2ccccc2n1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 747636407 JTOJUAQVADYPNV-UHFFFAOYSA-N 429.458 0.780 50 20 ICGD CCOC(=O)c1sc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)nc1C 750277406 VWSRDXACEJBKKS-UHFFFAOYSA-N 425.492 0.950 50 20 ICGD CCOCCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755955238 ASWQRYDPHDGGDJ-AWEZNQCLSA-N 426.495 0.430 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 756398436 GAMGZFXBEUNFCQ-MRXNPFEDSA-N 449.533 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)cc1OC 756529437 QEJURTLFCRXZAR-INIZCTEOSA-N 430.461 0.839 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 763775900 XWHAOCVTPUCDNL-UHFFFAOYSA-N 449.427 0.864 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 763830784 AGFGJNWDPUKCQY-BETUJISGSA-N 426.495 0.226 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)c1 763895086 KXTPZZRXSKHAPZ-UHFFFAOYSA-N 440.478 0.741 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)CC1 764032828 BPSKVSAOVFGPJB-UHFFFAOYSA-N 443.529 0.854 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)o1 764138375 CREWMPUVFLVYCP-UHFFFAOYSA-N 440.464 0.805 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 764202550 DZHMDEZRFSKGPW-UHFFFAOYSA-N 435.437 0.408 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNc1nccnc1OC 764596637 NJZPDLYZORYBRA-UHFFFAOYSA-N 438.466 0.663 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)c(Cl)c1O 764819771 VOPZKNWNEXWYCM-UHFFFAOYSA-N 439.259 0.987 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)C1 768273246 ASPOFZROCPMEEF-CYBMUJFWSA-N 435.506 0.908 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)Nc2ccccn2)cc1OC 768584058 HYHXEEMXGWTOCO-UHFFFAOYSA-N 439.519 0.785 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1 769236193 CKZGWMFZOAEUFM-RDTXWAMCSA-N 442.563 0.936 50 20 ICGD COc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc(OC)c1OCC(N)=O 771566816 AUMIMYARVFFBSI-UHFFFAOYSA-N 448.863 0.988 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 771604084 GCRHYMGAGZTTSY-UHFFFAOYSA-N 447.803 0.942 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 771904014 NMAXSDJXTPKZGJ-GFCCVEGCSA-N 426.433 0.943 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(N3CCOCC3)cn2)c1 772416306 XXITVUQJQCIHNJ-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777753324 WJNHKPRXZZSKDQ-ZDUSSCGKSA-N 434.815 0.949 50 20 ICGD CN(NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C(N)=O 778418051 HNHATKCRAKFAGJ-UHFFFAOYSA-N 431.518 0.848 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 778433775 ROMUKCUXKKZWRG-NRFANRHFSA-N 445.476 0.658 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 779675422 CBTKHLYYTMZNGI-UHFFFAOYSA-N 446.895 0.495 50 20 ICGD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 782968091 XMRCACKAIDADII-UHFFFAOYSA-N 427.255 0.601 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003015 ZLERJAYPODQJRE-GFCCVEGCSA-N 430.417 0.147 50 20 ICGD Cc1cc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2cc(C)ns2)N2CCOCC2)sn1 785457850 SQJJPBWQELNWOS-INIZCTEOSA-N 449.562 0.908 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c2ccccc2c1=O 786689283 MWYLNXJWPKNIBV-UHFFFAOYSA-N 449.471 0.383 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)c1 787540574 APEOHYBFGBADQB-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C(=O)N1c1cnn(C)c1 793062781 MYFPZVQZBSPCSD-CZUORRHYSA-N 443.464 0.171 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC(C)C[C@@H]2C(=O)NNC(=O)c2cccc(C)n2)n1 794086667 VGVZWHYHPASVKO-HOTGVXAUSA-N 438.488 0.978 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1C(=O)OC[C@H]1C)c(=O)n2Cc1ccccc1 794880005 PAVVCYLXKKSHAW-CYBMUJFWSA-N 438.444 0.093 50 20 ICGD C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068617 APVXTVJOTFOKBH-KPPDAEKUSA-N 426.524 0.507 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 803195592 LSAJWDQPSKTZID-UHFFFAOYSA-N 449.917 0.686 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 807379817 FEWIBIDMHHGQHG-SFHVURJKSA-N 440.863 0.234 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033900 QMYZCJICVPDPTI-UHFFFAOYSA-N 449.489 0.652 50 20 ICGD CC1(C)CC(=O)c2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)ccc2O1 815692181 LIVOIEWBPXXSJQ-NSHDSACASA-N 426.433 0.370 50 20 ICGD C[C@@H](Cc1ccco1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916511261 OCTUWESROHHWQQ-AWEZNQCLSA-N 436.490 0.876 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916726869 YGELXGMXAQJPRL-UHFFFAOYSA-N 434.474 0.564 50 20 ICGD CCN(CCCNC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12)S(C)(=O)=O 918119284 RLTDFIZASBSRNK-UHFFFAOYSA-N 438.510 0.032 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 920292287 ZZUVCVAKFLMVMZ-WAFWZSCLSA-N 436.534 0.420 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 920930562 PDOIZGLUDLRNFG-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 1317765573 SRMLVJSMINFHMS-INIZCTEOSA-N 430.486 0.848 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 1319965199 DQYDWUGVKCHMME-UHFFFAOYSA-N 439.515 0.709 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1326379238 FFWVNDGAFDKSCD-UHFFFAOYSA-N 439.519 0.106 50 20 ICGD O=C(NCc1nnnn1-c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 1328381119 LZQCZHOLECACKE-UHFFFAOYSA-N 429.466 0.100 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2c1 1777740176 RSXXLDMSJNPLOA-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840828 ZHGCPVBIVANBKC-GSNRHRRFSA-N 428.327 0.825 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1782179753 MLRSAEWFEGDNTI-HWWQOWPSSA-N 443.850 0.433 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1783877140 GIZBRHWNAUVCTC-VLIAUNLRSA-N 435.864 0.519 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784084003 JWLXNRXUQXGKRB-HILJTLORSA-N 426.897 0.308 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1785682442 PGJMDRUKQQTLJS-ACJLOTCBSA-N 449.907 0.375 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788616231 IEKUVCPBAJEVQF-VOAKCMCISA-N 435.388 0.234 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 1791293259 QGPKEBCFHVEGFE-BZSNNMDCSA-N 434.541 0.016 50 20 ICGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1792653963 OPOKNRGWDYYNHL-HBCWATKFSA-N 441.463 0.650 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1792867983 MLHSTFTXNWGFRH-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccoc1 1793924933 DLHXPWSDIKGCSO-SGLKITHBSA-N 425.445 0.195 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1799264346 KHEDYLPTEBTUFS-YLLRLKMBSA-N 438.912 0.600 50 20 ICGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](Cl)COC)ccn1 1800978445 FZXWHPRDAYZVLC-JYYAWHABSA-N 439.896 0.715 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801987347 YCOXMRQDUBNFPG-CRWXNKLISA-N 427.885 0.845 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340834 OAAZNJMSHZIFDR-CZUORRHYSA-N 432.340 0.917 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1806911069 FRTFMQWZZNMBRS-BJLQDIEVSA-N 437.972 0.325 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807359757 DJVHGINHZLLUKE-RXVVDRJESA-N 443.272 0.595 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361541 IRAWGAFXQQPAFK-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807363334 ZHWLAQOPFPFHTC-AZUAARDMSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369570 OUCFAAISDKHSTD-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncon2)[C@H]1c1cccnc1 1811176959 ANPNPWMMHACHFA-CZUORRHYSA-N 436.432 0.097 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813535321 XCAPPAOXWDEDCV-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354577 JMGBRMWPEGOYBT-PZSREKOKSA-N 430.339 0.422 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)o1 1817470944 AJOSTJVFODMLIM-INIZCTEOSA-N 438.253 0.330 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCO2)n[nH]1 1817657919 CPADFNBCUDZSIN-JKSUJKDBSA-N 427.465 0.893 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1820160652 VNWDMXHVWGUFIZ-JTQLQIEISA-N 439.570 0.458 50 20 ICGD O=C(CN1C(=O)CNC1=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823003273 YEACVKYZFDMCDU-KBUNVGBDSA-N 448.274 0.297 50 20 ICGD CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823079727 ONHLLFUEUNMLBG-IUODEOHRSA-N 444.322 0.850 50 20 ICGD Cn1ccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826086964 XMALRHYECODYHL-SFHVURJKSA-N 439.520 0.966 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)C1=COCCC1 1826174923 DMVFZIUONKGQPK-OAHLLOKOSA-N 427.291 0.743 50 20 ICGD O=C(Cc1cncnc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049962 ALVGYXFGTHRDTG-NRFANRHFSA-N 436.321 0.632 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829816987 OGIZWXFRUKMKKE-HXUWFJFHSA-N 441.293 0.394 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829819451 KXPRZWRFZBLJCZ-RDJZCZTQSA-N 431.283 0.554 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830199810 NCIKMTYRXZPAGH-KUHUBIRLSA-N 427.885 0.876 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830538802 QMHBJSCOBOPALF-SUMWQHHRSA-N 429.315 0.440 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722337 AJPYZVJMVKAYSC-APWZRJJASA-N 429.876 0.294 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020126 NSCUCCQSCSXERQ-IAGOWNOFSA-N 438.308 0.131 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1831657690 QCSUTEMFTWXRGO-HDMKZQKVSA-N 436.958 0.428 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831727967 XFJYWCWXJURGDN-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cn1 1832271993 JQTHXOUJZCZBBK-NRFANRHFSA-N 438.337 0.576 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832611276 WEYKUZFSXPQESM-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712424 CYUIFDDHLPRGHN-QFBILLFUSA-N 443.953 0.884 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945389 VQMPUCFZRLTAIM-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1832987493 QFPOMVFFLZAKDK-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400732 LASABUKJKCXKAB-SJCJKPOMSA-N 445.314 0.227 50 20 ICGD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834706329 VEBXLQMRONJQIB-HNNXBMFYSA-N 447.353 0.088 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839199600 QTDYGYMDJHKXDU-NVXWUHKLSA-N 447.305 0.500 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1839963610 QFOXEGXLLDDWQQ-YOEHRIQHSA-N 429.315 0.513 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839963839 XVBGSCAVSSZVRW-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458843 CGSJWAPYOVHINN-VQIMIIECSA-N 426.901 0.119 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015220 UPOJMUDHAKBNDO-RDJZCZTQSA-N 428.294 0.163 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1 1844377953 NZCXNGPBUNZCJP-AWEZNQCLSA-N 429.590 0.927 50 20 ICGD Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(-n2nccn2)c1 1844760179 YQOWOLQXTSGXED-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 10414519 DIPRJLZNPCJCLM-SANMLTNESA-N 429.907 0.941 50 20 ICGD Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 18995444 WICZEGPWUOCEOM-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(CC)c2)c1 727349329 AYPVTLFLJYHDCW-UHFFFAOYSA-N 429.524 0.557 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O 730205785 QOFHEIIKEKTKOB-UHFFFAOYSA-N 429.458 0.309 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 732575620 FYDKQZKBAMQXTQ-SCLBCKFNSA-N 425.445 0.535 50 20 ICGD C[C@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 738309628 OMMMETJNPRYXAU-CALCHBBNSA-N 432.525 0.846 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 740852662 HINKZHWVWAILKF-UHFFFAOYSA-N 428.511 0.448 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742477296 FVIXZRALZWLUMG-BRXAQIOASA-N 445.472 0.553 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2cnn(CC(=O)OC)c2)cc1OC 743250781 JJMGFQWKOGCLSW-UHFFFAOYSA-N 426.451 0.477 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 743254679 SCMXYQALPDUTBF-SSDOTTSWSA-N 430.277 0.268 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(Br)ccc2O)C1 743731887 BRIRLNNMVDFFEG-SNVBAGLBSA-N 434.312 0.977 50 20 ICGD CN(C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 744395146 UEXZYQYARSICAF-UHFFFAOYSA-N 440.548 0.728 50 20 ICGD COC(=O)c1c(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)[nH]c(C(C)=O)c1C 744519904 DQJUTOWHLYMDOY-UHFFFAOYSA-N 440.412 0.731 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 747382771 AGONSTVMGYQUGR-UHFFFAOYSA-N 442.472 0.873 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 747909820 ZBVVASAVHYRWAP-UHFFFAOYSA-N 440.444 0.880 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)N1CCCC1 748247755 VXGLSOZILNIUGU-UHFFFAOYSA-N 444.460 0.135 50 20 ICGD Cc1nnc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cn12 749715951 XGOCBIMQIMWPOB-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 750212888 JZKUQYSUMRQPNM-UHFFFAOYSA-N 445.906 0.993 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 751211579 TVYBTKUWVXTTMM-UHFFFAOYSA-N 444.922 0.843 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 752313802 RWQCUCILTWOMIY-UHFFFAOYSA-N 448.237 0.268 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1ncccn1 753786881 UHOLZQDVGZJHIW-LBPRGKRZSA-N 446.411 0.551 50 20 ICGD CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 754369173 VARLFTVHVLCFEQ-UHFFFAOYSA-N 425.401 0.584 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2c(F)cccc2F)CC1 755808730 FELNHTLADXOEBV-UHFFFAOYSA-N 425.461 0.982 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1F 756818677 PCUWMPNIRCKYLU-IINYFYTJSA-N 426.401 0.075 50 20 ICGD C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)CNC(=O)c1cccs1 756931765 NHFYOHPDPRTVBE-GFCCVEGCSA-N 428.478 0.091 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)c2ccccn2)c1 757774911 CMLRFWHDCRRSPD-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)C(=O)Nc1ccccn1 758833052 DJTBXMDLAXMSMC-NRFANRHFSA-N 436.428 0.167 50 20 ICGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1 759197371 VJFIKFDTHKJMFL-UHFFFAOYSA-N 435.868 0.945 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cccc2c1OCO2 763532320 UWFXAHBLLJDTIN-UHFFFAOYSA-N 439.472 0.714 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1OCC(=O)NC1CC1 763576152 GXZBFLWHQVZUAQ-UHFFFAOYSA-N 444.444 0.962 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 763680533 FOHFLPUCMURFSJ-UHFFFAOYSA-N 446.423 0.328 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1C 763733961 JTGAAGAJSBYAJA-UHFFFAOYSA-N 428.493 0.685 50 20 ICGD CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001806 FEGDTZACAYFINI-LLVKDONJSA-N 447.897 0.276 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764165453 ZABAZCDHTCZVRH-SFHVURJKSA-N 438.440 0.249 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 764297644 GSJNUUCEFSLYFL-UHFFFAOYSA-N 440.382 0.973 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764365839 DTIHQLVTXYRENY-UHFFFAOYSA-N 440.456 0.462 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cn2)C[C@H](C)O1 764367432 WQDXSNGHHPALPE-HOTGVXAUSA-N 441.488 0.998 50 20 ICGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 764527377 QLNSXINWNWJWGB-HNNXBMFYSA-N 431.470 0.879 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765392707 JVNOWHHWSPJPQP-UHFFFAOYSA-N 430.483 0.830 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCN3CCC[C@@H]13)c(=O)n2Cc1ccccc1 765565221 WJCKFOLCNZQCFO-SFHVURJKSA-N 449.515 0.768 50 20 ICGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 767087714 GUNYGEOFWGIEQB-UHFFFAOYSA-N 435.872 0.561 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 767371794 BZAZXZKVWBVHEA-JOCHJYFZSA-N 438.440 0.597 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 768688432 SPMACJWDGZWPFQ-UHFFFAOYSA-N 445.457 0.609 50 20 ICGD CN(C)C(=O)CCN1CCC(NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770394848 DTZQDOXPPUWUDQ-UHFFFAOYSA-N 447.544 0.856 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cn1 770463919 MSDZQYINYOENHX-UHFFFAOYSA-N 426.838 0.261 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 772069117 BJJULIFZZYTRRG-JVPBZIDWSA-N 445.516 0.876 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NOCCC(F)(F)F)nc2)CC1 779697720 WSZCODBKIIHOHI-UHFFFAOYSA-N 426.421 0.528 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCS(=O)(=O)C1 783424533 FHJNSWNCPNPLQD-AWEZNQCLSA-N 427.376 0.903 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783847855 VJSLUECQEBGPKA-GOEBONIOSA-N 426.495 0.454 50 20 ICGD Cc1ccccc1-c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n(C)n1 784004236 URYIMFSRTRTWEH-UHFFFAOYSA-N 440.485 0.973 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F 789584034 BQIDOMSELNARRF-UHFFFAOYSA-N 427.177 0.995 50 20 ICGD CN(NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 790298204 YZQMQJJRFRKVND-ZDUSSCGKSA-N 433.531 0.334 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cn1ccc2ccccc21 793440738 WENKUAPIFVBIEF-HXUWFJFHSA-N 427.461 0.404 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1cccc(F)n1 804763349 IQTWMTUTDDZBGW-UHFFFAOYSA-N 435.481 0.977 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNc3ccc(-n4ccnc4)nn3)cn2)C[C@H](C)O1 806327012 YJSHRYUJXANTBC-KBPBESRZSA-N 440.468 0.643 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 806973689 IXSNLZCIMUKRFL-UHFFFAOYSA-N 427.461 0.529 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 807070271 LDDDXRMJIRNGJR-GJZGRUSLSA-N 437.456 0.187 50 20 ICGD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)NNC(=O)c1ccc(Cl)cc1 809004249 NSDUFNYMWUBDAZ-UHFFFAOYSA-N 430.804 0.760 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CCN(C(=O)OC(C)(C)C)C1 809981343 HPADXFKDVRLJDR-ZOCZFRKYSA-N 442.557 0.907 50 20 ICGD Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 813009086 GMVWMZYZHKGFFB-UHFFFAOYSA-N 429.462 0.760 50 20 ICGD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814637326 VJMDLFDYUVHUBB-BBRMVZONSA-N 442.480 0.994 50 20 ICGD Nc1nc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)nc(N2CCOCC2)n1 816829146 CKOCTCIPOUCKMQ-UHFFFAOYSA-N 439.432 0.537 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc(-c3ccco3)nc12 913081377 MMAJSBPPPJZUFW-UHFFFAOYSA-N 434.368 0.892 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCCC1 916110850 WAJKVUKCAKPSMR-UHFFFAOYSA-N 446.551 0.533 50 20 ICGD COc1ncccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916398691 FXQYIHCGGQHGKZ-UHFFFAOYSA-N 449.489 0.255 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)c1 919958680 XRYBHOKVGVUAQB-UHFFFAOYSA-N 438.414 0.597 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)c1ccc(-n2cnnn2)cc1 1318446733 ZARDCRQCMXURTL-MRXNPFEDSA-N 428.478 0.599 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN([C@H]2CCC[C@H]2O)CC1 1319425252 PRTGIHFNVZXYMU-JKSUJKDBSA-N 438.554 0.302 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778094392 HVRYDXYYEBVNRB-UBOQJIBCSA-N 433.509 0.669 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)CC1 1778115573 MTNGGKHBUAIVRS-XJKSGUPXSA-N 425.910 0.022 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1779036601 BJVZDGROFRELJF-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779605868 LCHYZHKKPRZLPR-XTQGRXLLSA-N 429.861 0.699 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779866148 YHRFRINSKODACH-KPZWWZAWSA-N 443.888 0.645 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780816849 DYJXANTXCVNMPU-CKEIUWERSA-N 428.331 0.823 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781319101 OZKMPLGHGBEOJV-ZZKIFARHSA-N 435.427 0.711 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1783934280 CEVLUYGQHIZFNZ-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C[C@@H]21)[C@H](O)CCl 1784091882 FJAIWPPOWQXZKY-STQRPAJPSA-N 437.880 0.301 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ocnc3C)[C@H]2C1 1786148624 CEDMWHUAVHZZTE-RPIBGLMYSA-N 442.476 0.710 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765212 KBXBVFSMCHHEGD-UGUYLWEFSA-N 434.631 0.498 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2 1798471347 WSZLOIMJRHTGHK-LXTVHRRPSA-N 433.299 0.904 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800642051 TYMDQCMXCIFLMQ-NEBZKDRISA-N 439.310 0.783 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800756097 FZHDMEIRNCSMDR-OHTBPHCPSA-N 428.283 0.382 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(C)n1 1801232441 SHCUVJQLQVGIDJ-BBIADKPPSA-N 445.564 0.594 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779768 MOKGEPMGZCPHAJ-GHTZIAJQSA-N 446.272 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncnc2)[C@H]1c1cccnc1 1805790606 AYPRNFHBVWDNLF-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1806346232 CQZADFGLWSUMCV-KUHUBIRLSA-N 449.305 0.797 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359450 IUTAUZVYHWRKSO-RXVVDRJESA-N 425.294 0.508 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364108 PCIMVMUSBVMXKE-CEDBRAGKSA-N 438.337 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1810301641 BCLMMDQYGXOBCB-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1813071928 ZOMZPKVZUQQMBM-DYESRHJHSA-N 439.520 0.873 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cccn1 1813421411 CAITXIMLKUGARF-PBEJRMEISA-N 447.304 0.539 50 20 ICGD CCS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815177177 VLBALWNZUYWMBL-AWEZNQCLSA-N 442.542 0.210 50 20 ICGD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1815545284 LZQIPTGKOZZWQI-CQSZACIVSA-N 439.306 0.025 50 20 ICGD CC(C)(O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817060590 PLZSREIDTICGON-OAHLLOKOSA-N 429.481 0.875 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470391 QHKVHTKMHJVVAC-QGZVFWFLSA-N 441.297 0.310 50 20 ICGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](F)Br)CC3)CC1 1818803119 ZJBAGUAPKRKTFF-HZMBPMFUSA-N 448.362 0.993 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818915034 DGLIUZMZZOEBEM-GDBMZVCRSA-N 426.949 0.903 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](O)CCl)CC3)cc21 1824181268 ZMRAACHCRHABMH-WBVHZDCISA-N 437.928 0.460 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317776 PYHHBRAZXZYIFT-HXUWFJFHSA-N 436.321 0.632 50 20 ICGD O=C(c1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056594 ZWAOUQAOPIDSRS-IBGZPJMESA-N 438.293 0.409 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cccn2)CC1 1828926319 FVHZUXXDKXYXFV-IBGZPJMESA-N 439.520 0.815 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733835 UYTUUMDZPITRMC-OXJNMPFZSA-N 429.945 0.061 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738778 SJODFSKTTPSXCI-XLIONFOSSA-N 426.897 0.381 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830968044 FNYIOXLZTMQZRQ-GUYCJALGSA-N 427.299 0.259 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830988543 SGHYMFKNUAQUFE-LAUBAEHRSA-N 440.924 0.684 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831807946 BGGJAAREEDRNKT-SFHVURJKSA-N 443.342 0.892 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994455 HRWGQOGHBHDMJQ-AUUYWEPGSA-N 434.917 0.428 50 20 ICGD C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)C1 1833049836 WPDMLYMTCXZSPU-UHFFFAOYSA-N 440.548 0.837 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833573839 OWGDDZVVUJDLAM-FZKQIMNGSA-N 446.863 0.106 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)N1C[C@H]2C[C@H]2C1 1834822970 BFHLCJUDICFMRM-OAFZBRQQSA-N 444.370 0.568 50 20 ICGD CC(C)n1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1835201746 HFRUPWVHDHBAOE-MRXNPFEDSA-N 426.949 0.644 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)n1ccccc1=O 1835822339 YYRURTGYQMMMCQ-MAUKXSAKSA-N 438.956 0.581 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836414530 PPACSUITPXIHLO-AWEZNQCLSA-N 437.310 0.605 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836824588 ONVYXSUIIWYBJM-UHFFFAOYSA-N 439.516 0.711 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccn(C)n3)CC2)CC1 1837490634 CZVWKVLCFVIXJD-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839144794 KUKHJAZDPCUFPQ-RSLFNQERSA-N 446.957 0.263 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839144911 OEBMMWHCBXKOEL-KXBFYZLASA-N 428.917 0.617 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839624041 OPXCPIQIIRXQNA-DYVFJYSZSA-N 429.811 0.473 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839645734 QSCWJSKAGXQRAV-HNTXVCKUSA-N 446.342 0.514 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839962425 DRDVMNHHQWKYCX-CRAIPNDOSA-N 441.326 0.649 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840154683 COLJUWBHWPLAKO-BEFAXECRSA-N 430.860 0.855 50 20 ICGD Cc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840705949 GDCZSLNRVVHKLB-VQIMIIECSA-N 432.851 0.943 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cc(Cl)ccc1O 11838080 FSJJBWYXEZYDIC-UHFFFAOYSA-N 435.868 0.668 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14843808 GIDRWJLYVXEOAL-UHFFFAOYSA-N 426.404 0.424 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726382021 LFXBMTYZXMWRKE-GFCCVEGCSA-N 437.449 0.749 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3nc(-c4cccnc4)no3)cnc21 728075142 SCIOJOWVCRTCPL-UHFFFAOYSA-N 446.225 0.481 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C1 728211469 UQGRWGIGJMSEJW-CYBMUJFWSA-N 430.552 0.632 50 20 ICGD Cc1cc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c2ccccc2n1 728502284 GIDWLFFYISJAEL-UHFFFAOYSA-N 440.441 0.514 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 731544209 TVDJFRUPXATSRX-UHFFFAOYSA-N 435.525 0.737 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 731849289 YYFTVNPTWPARHZ-HNNXBMFYSA-N 426.539 0.584 50 20 ICGD Cc1cnc2c(S(=O)(=O)N3CCN(CC(=O)NNC(=O)C4CC4)CC3)cccc2c1 733194462 SXWSKAXXRZHYJG-UHFFFAOYSA-N 431.518 0.407 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNc1cnccn1 734244625 QXCHJPOFDVVVPK-UHFFFAOYSA-N 432.462 0.702 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118285 QDEMNUDYZCZXBL-UHFFFAOYSA-N 447.583 0.066 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 735420431 QTCRVHJRURCARH-AWEZNQCLSA-N 434.474 0.331 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)nc2c1c(=O)n(C)c(=O)n2C 737779590 IXIZNANWIBUUNI-UHFFFAOYSA-N 434.412 0.670 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744710605 PUZNRGTVOGYHEO-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744966301 CRUSTFLGPLVHIX-UHFFFAOYSA-N 436.428 0.709 50 20 ICGD CNC(=O)c1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 755509068 FHOPREUXUOGLFD-UHFFFAOYSA-N 433.490 0.828 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 755862549 SAVGSASCNMAXIM-UHFFFAOYSA-N 440.460 0.908 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1 760967544 AVQYTAGHHBOARY-WMLDXEAASA-N 431.493 0.933 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNc2nccc(N3CCOCC3)n2)CC1 762864710 DTFLSDJOZVXTAE-UHFFFAOYSA-N 426.543 0.598 50 20 ICGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763719186 WABOUTUVHRLUEA-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763825416 WRGWKARNUMYALS-OAHLLOKOSA-N 425.445 0.329 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763841113 NRFZXIZVOFHVGV-UHFFFAOYSA-N 437.449 0.578 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 764001951 HMTYOZOBTNGMTD-QMMMGPOBSA-N 441.359 0.287 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br 764397430 JQECJOPFIKKXIK-SECBINFHSA-N 448.270 0.604 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 764428228 DBAYFMODJKIJOZ-UHFFFAOYSA-N 427.385 0.017 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1cc(Br)c[nH]1 764608237 NXVJVGUYWMZFDD-VIFPVBQESA-N 440.279 0.777 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(-c3ccccc3)ccc2O)n(C)c1=O 764818227 SUCJYMKADNCSHM-UHFFFAOYSA-N 432.440 0.957 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CSc2ccccc2O)cc1 765248915 XLQDMEZHOUFQFJ-UHFFFAOYSA-N 439.515 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC[C@H]3CCCO3)CC2)cc1 766636118 JTCHLNNVTGLVQV-QGZVFWFLSA-N 438.550 0.408 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccc2c(c1)OCCO2 770428640 YVLWZSDCESUWEC-UHFFFAOYSA-N 441.412 0.866 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 777922254 DUNWIIGCRYRFBC-GFCCVEGCSA-N 440.503 0.478 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)C1CCN(c2ncccn2)CC1 779510522 AOALYKOGJBGVQE-CVEARBPZSA-N 442.501 0.545 50 20 ICGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 779845073 ORBIIKYRCVOMQQ-UHFFFAOYSA-N 438.256 0.291 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)CC1 782117077 JLHKEKLQOXIPAL-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cccc(OC)n1 784847095 YVNXEIGWYRBXSU-UHFFFAOYSA-N 437.478 0.821 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)cc1 784970746 MMWFZGDFIPTCHP-UHFFFAOYSA-N 435.510 0.655 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1F 786522834 NEGWLTGSGOEDPR-UHFFFAOYSA-N 427.841 0.960 50 20 ICGD C[C@@]1(NNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCS(=O)(=O)C1 786967326 VMPNVJVTAKDYAI-MAUKXSAKSA-N 430.477 0.837 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)CC1 790803485 JVOSYJDPPFJYHQ-LJQANCHMSA-N 444.517 0.654 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 792374409 ARUJZXVAFWCNIQ-UHFFFAOYSA-N 426.477 0.534 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 800353198 QWAZLBWMUVJMCJ-CWTRNNRKSA-N 437.474 0.462 50 20 ICGD Cc1cc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 804028090 KMTRVOFFSVUVQF-UHFFFAOYSA-N 437.478 0.789 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1cccc(F)n1 807390555 FVIXFDVYHLSVIY-UHFFFAOYSA-N 437.453 0.632 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2=O 916524181 NTQFYJMDFSNQFV-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)c2cnn(C(C)(C)C)c2)cc1 916736286 GNSBPVDFAVYLLC-UHFFFAOYSA-N 435.506 0.597 50 20 ICGD CCOC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 917361793 UYTJISJFSDUUDE-UHFFFAOYSA-N 441.247 0.932 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(C)=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 920381077 NWYFEJZAQHPWSK-OAHLLOKOSA-N 430.552 0.927 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCC[C@H]3N(C)C)nc2)CC1 1318464994 NQCDVQLBPSYRIN-DLBZAZTESA-N 439.586 0.517 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777827859 VOQWFTBTCSMFDV-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777995508 JRMRGYNGBYBBCU-IIBYNOLFSA-N 448.907 0.700 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779068309 IJVBELAZSYJPPU-DNVCBOLYSA-N 432.901 0.576 50 20 ICGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Cl)C3)c(=O)nc1O 1783113210 HVFRKHSYQUVFDO-RVZJWNSFSA-N 430.864 0.306 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783349446 LXOCXBOTIVTSJW-CXAGYDPISA-N 441.282 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1783873955 ALTHUPYQSVQECK-QKKBWIMNSA-N 448.907 0.631 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1784663761 BTYXSLNFLXFASR-OAQYLSRUSA-N 427.461 0.273 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785250633 QAFLOOUMBMAQPF-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1785533380 UBRVQHPOCIDBAT-MWTRTKDXSA-N 437.500 0.932 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981980 JJFIIFUKDKVVAW-VJBMBRPKSA-N 448.328 0.375 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793367627 OAUNDFHOYOEYOQ-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD COc1ccc(OCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796189729 SFEDYRHFHFDAIB-REPLKXPHSA-N 438.289 0.706 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655894 GPIFCQVCNQTEBS-WYFGTUCQSA-N 445.232 0.855 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccn1 1798051238 SUNXJYQXNPWHPM-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cc(Cl)ccn1)c1ccc(B(O)O)cc1 1798584892 SHBSNYHZNIULST-BCDXTJNWSA-N 443.696 0.746 50 20 ICGD Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1799560236 SQYIHGGLJOXVJC-HBCWATKFSA-N 441.463 0.650 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1800334127 AJKUGBLVZJNBFU-UPIKPMQBSA-N 446.454 0.184 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ccnn1 1803022185 DDGBQRMZXLRZPL-YDOXXCSQSA-N 426.481 0.440 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1805832805 MLTGTFIXYKQLFZ-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807665440 QEWFRBMLMYQUOC-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD Cn1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1=O 1809977883 LJHKEHWITNMDMZ-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1C[C@H]2C[C@H]2C1 1809978764 OYSPXOURXOCZLF-YSIASYRMSA-N 439.365 0.551 50 20 ICGD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304491 DPEGMDYOAONMJX-QMWVSLDXSA-N 438.488 0.950 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815104047 XWIYMXRMYYRICB-DYVFJYSZSA-N 441.297 0.310 50 20 ICGD COCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815350001 CKQRVGRAPKDKLB-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474232 BBTNIIIUAXCBEN-SOVGHPHASA-N 427.314 0.769 50 20 ICGD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1817588045 LMMUIXLRERGWCC-ZWNOBZJWSA-N 427.914 0.812 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc2n(n1)CCC2 1819166634 HEXHVYDYJHFSPO-LJQANCHMSA-N 448.292 0.852 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc[nH]n2)[nH]n1 1819403985 RAMCUZJGTVLXLP-MRXNPFEDSA-N 437.464 0.680 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](Cl)COC)CC1 1828762890 FINJZDYVYHXPJG-OWCLPIDISA-N 433.933 0.924 50 20 ICGD Cn1c(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2ccccc21 1830720032 QVWWVVILPBIODA-DENIHFKCSA-N 449.935 0.777 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830728317 RQCCQEUBVGNUQU-FOIQADDNSA-N 440.928 0.444 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730984 GQNWDLMSTHYITR-BEFAXECRSA-N 440.859 0.372 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735411 HLLYQQZIIKPGPC-VQIMIIECSA-N 432.851 0.563 50 20 ICGD O=C(CCCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738818 UUQABYSTAZPYJU-XLIONFOSSA-N 425.913 0.460 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1C 1830953902 ODNFPLMKQYYVHZ-RTBURBONSA-N 447.363 0.964 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165965 TXXWOUIBTYSDBH-JSGCOSHPSA-N 446.342 0.933 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832819494 CDTGECRPTPQFBH-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1N 1835867904 OLJBBCKHSBOQRN-KXBFYZLASA-N 429.876 0.386 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cnco3)CC2)CC1 1836979613 ZPIOLACJYDBFQE-UHFFFAOYSA-N 442.476 0.599 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123502 RVJNJECMRJKRGX-ZTFGCOKTSA-N 432.359 0.758 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839148977 PJHLTWLXSNSBSZ-IAQYHMDHSA-N 429.823 0.139 50 20 ICGD O=C(CN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199125 KBOXHZBQHDNOAQ-NVXWUHKLSA-N 436.322 0.619 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839410285 VMMWXYXYRPZOBZ-ACJLOTCBSA-N 434.823 0.340 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840033771 PROBTZDNVNHHFB-PXAZEXFGSA-N 431.283 0.625 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840034448 LVPKMVDGNWKWKU-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840154886 JBLQQSQMKWLEAL-XOBRGWDASA-N 436.896 0.887 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189066 UGSRYLCMIPKFMF-MRXNPFEDSA-N 446.316 0.960 50 20 ICGD CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1Cl 1843010716 VHNQOKQTARJCRQ-UHFFFAOYSA-N 430.701 0.447 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1c(C)nn(C)c1C)C2 1843417178 FVYCUUOYVYZZQW-BUVRLJJBSA-N 439.520 0.917 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265217 GSXDXRIGOCDVAN-HUUCEWRRSA-N 443.504 0.482 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1846385256 JBAWZRBNOMBWSB-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1S(=O)(=O)N(C)C 14842197 VIFSZSCRNHWXCD-UHFFFAOYSA-N 431.474 0.976 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 726165131 ZEVALQHAHSKABU-KBPBESRZSA-N 428.511 0.129 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 728018120 GMFGARNINOHEMN-BLMSOEDDSA-N 429.502 0.952 50 20 ICGD CC[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(S(N)(=O)=O)c1 729228441 CIDDWTXYXUKKBM-ZDUSSCGKSA-N 439.519 0.607 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 729741679 GGOBNWNGKCJARG-SNVBAGLBSA-N 428.357 0.932 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 732259899 ZQVWPYAYGUOLAA-ZDUSSCGKSA-N 426.901 0.904 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC[S@](C)=O)cc1 735049269 MUWYXLKHUFEBSP-WCRBMVSXSA-N 429.502 0.836 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 736152955 NHKKVTFFTRSCSD-MSTPFNHUSA-N 443.548 0.708 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 741409003 FGSIARKPDBTVMO-UHFFFAOYSA-N 443.489 0.866 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 744385584 XDQAJTWNFCWCQY-UHFFFAOYSA-N 427.483 0.095 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 744424660 SZDFNLPIZHZERC-UHFFFAOYSA-N 449.489 0.575 50 20 ICGD COc1cc(C(=O)NNC(=O)c2sc(S(N)(=O)=O)cc2C)cc(OC)c1OC 746308612 XTUWIQPGIISTRL-UHFFFAOYSA-N 429.476 0.805 50 20 ICGD CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 747629435 HSEAJLCIMYXKJQ-UHFFFAOYSA-N 432.550 0.831 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)NNC(=O)c1ccccc1 749288971 NBDNFWSGUCCASQ-AWEZNQCLSA-N 437.499 0.906 50 20 ICGD N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 750047025 LHAZLLNTVANFEI-LWQNFSTJSA-N 433.490 0.380 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 753334576 IOQWXAZHDWHDLO-UHFFFAOYSA-N 425.467 0.832 50 20 ICGD O=C(NCCCCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758698962 AQJYEAUGDLGUNA-UHFFFAOYSA-N 439.520 0.953 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 763531424 NTYKPSCNXRLJLS-UHFFFAOYSA-N 435.488 0.861 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1-n1nnnc1C 763809262 MEZQVVXJXGKKKW-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 763837239 BMRQEMKYZQSOMG-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1C 763883272 ZITDLABHZJZUJL-UHFFFAOYSA-N 436.494 0.356 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 763933519 ZMSGEPIOBGBJNF-UHFFFAOYSA-N 440.428 0.544 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)cc2)C(=O)N1 763973949 IICOROPHMIFLOS-NSHDSACASA-N 444.831 0.651 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1 764160986 MJDIGGBAYSSXIA-UHFFFAOYSA-N 448.501 0.928 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1NS(C)(=O)=O 764167584 LASNKKNDJJPRRF-MRXNPFEDSA-N 448.457 0.156 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 764177274 MLVMZYWCAOCOHF-UHFFFAOYSA-N 448.439 0.856 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2cccnc2)c2ccccc2O1 764263355 DUDDGMOPWKDAHX-QGZVFWFLSA-N 425.445 0.092 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1 764314673 YARTVJLRAKXBJP-UHFFFAOYSA-N 440.456 0.653 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 764552302 LQYDHEKNLJLYHL-CHWSQXEVSA-N 434.449 0.979 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C(Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1=O 764815748 DQKYFDQNYOUXCY-UHFFFAOYSA-N 439.432 0.467 50 20 ICGD O=C(CCCn1ccccc1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643647 REPCURNBMLYOID-UHFFFAOYSA-N 425.489 0.234 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCn1cc([N+](=O)[O-])cn1 768535128 DXWWUBICYWDUHJ-UHFFFAOYSA-N 427.215 0.963 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cn1 771263266 DACRDWVKRIPVGH-QGZVFWFLSA-N 449.265 0.411 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772161293 HMUQTXWRKVCZJJ-STQMWFEESA-N 438.506 0.629 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)=NN(c2ccccc2)C1=O 772888527 KGITWJJVDIRIJK-GFCCVEGCSA-N 442.863 0.442 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 773618500 GRUIXEFCFHVZHT-UHFFFAOYSA-N 438.309 0.714 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 774003585 XZBICBSHEJDJEF-NSHDSACASA-N 436.856 0.178 50 20 ICGD Cn1nc(C(=O)NNC(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)c2ccccc2c1=O 778533002 XQOUFWQXVVQAMP-HJWRWDBZSA-N 431.412 0.766 50 20 ICGD O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)C1CCN(c2ncccn2)CC1 778704284 KJGQCFOPIBYITN-PLNGDYQASA-N 434.460 0.912 50 20 ICGD O=C(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)NNC(=O)[C@H]1COc2ccccc2O1 778897884 CATBPCFJLJVPPB-OAHLLOKOSA-N 445.340 0.468 50 20 ICGD COc1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 780236978 RWARKICHVUGHQQ-UHFFFAOYSA-N 431.518 0.855 50 20 ICGD O=C(NNc1cccc(F)c1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 783040301 IZZMDKOQLASKSB-UHFFFAOYSA-N 429.452 0.970 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 784001944 GRCRHSFPIWKIDD-MELADBBJSA-N 428.449 0.662 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNc2ccc(F)cc2Br)n1 784802270 DSWWVFWCWVXAAC-UHFFFAOYSA-N 448.274 0.911 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)c1 785061636 ZQCUXLNLIANFTN-UHFFFAOYSA-N 439.428 0.523 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1 785226793 VMCKCBGARZVMLU-UHFFFAOYSA-N 449.537 0.963 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1C 787541630 BCHOFZIALBNBEV-UHFFFAOYSA-N 425.445 0.862 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 788139228 KYBZPWLEWABBGH-UHFFFAOYSA-N 440.503 0.034 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 789334945 OTCVMHZMPPAWAY-CVEARBPZSA-N 428.511 0.140 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1C(N)=O 789732739 ULSRHVWGIVGZIE-QGZVFWFLSA-N 442.428 0.499 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 792017647 LSPLKKLQMSWARH-KRWDZBQOSA-N 425.470 0.952 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C2 792924122 WRHZHZAGMDLMFI-UHFFFAOYSA-N 427.486 0.286 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1C(N)=O 797009111 ODTSQVOLGSATIH-UHFFFAOYSA-N 428.445 0.997 50 20 ICGD CCn1nc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C1CC1 797369027 MMQTYNTUFFWVHT-UHFFFAOYSA-N 428.449 0.793 50 20 ICGD Cc1cc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-] 797701530 SWQLQDBAKGQPDR-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3ccc4c(=O)[nH]ccc4c3)CC2=O)c1 803435450 ABJVHYDDVTUCEA-CYBMUJFWSA-N 441.469 0.672 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1 806797766 ZMKRRGSSSWDIDQ-UHFFFAOYSA-N 445.501 0.967 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNc2ccccc2C(N)=O)c1 809544980 DTRXDIIWYGFHRY-UHFFFAOYSA-N 447.517 0.689 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Cl 915789092 ILCKDLZETALKEJ-UHFFFAOYSA-N 436.833 0.045 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1nnc(O)c2ccccc12 916516805 LIJHBZMUCYHZQQ-UHFFFAOYSA-N 444.473 0.399 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1OC 919690219 MRRGCRDGTKQUCW-UHFFFAOYSA-N 449.489 0.188 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N[C@@H]1CCS(=O)(=O)C1 919888345 MIRXKTVNFLMYDI-MNOVXSKESA-N 449.316 0.864 50 20 ICGD Cc1cc(-c2noc(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)ccc1F 919889060 VENMVRRPNDJGJZ-LBPRGKRZSA-N 425.442 0.634 50 20 ICGD O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 920420268 VOWJUBVIOVJGFJ-IBGZPJMESA-N 440.456 0.829 50 20 ICGD O=C(COC(=O)c1cccc(N2CCNC2=O)c1)NNC(=O)[C@@H]1COc2ccccc2O1 1326231706 RIUWZQVCGROZBK-KRWDZBQOSA-N 440.412 0.360 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778007473 KQGCQRCCIKUTTH-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1779297205 WAJHAYRFLXOLDP-FQEVSTJZSA-N 449.584 0.312 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783246733 IGJYBWQPVBDBBJ-QGWOYLBSSA-N 441.532 0.955 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1783974465 OMAVRPAXLLCJTE-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784181207 UIBBEYTYVPTKRI-YZUZCNPQSA-N 434.301 0.614 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1785729009 XGFRUMALEUMSOI-KSMMKXTCSA-N 449.907 0.987 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1ON=C(c2ccccc2)O1 1788516017 GRCGQWQVYBOPAS-UHMUHUCWSA-N 437.880 0.301 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NN1 1790545646 QDYBHVPGLKHSKX-JAQSECSASA-N 434.924 0.332 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792512863 AWUIPABEPAVBBC-IXOZXALOSA-N 443.460 0.037 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1792867656 DVYVFXHQQZZCJI-RVMXOQNASA-N 437.298 0.359 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccco1 1794142883 MPHHFIGHVSSMAG-GFYLOJAKSA-N 425.445 0.195 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794385795 PNGHBHYTXYFGTJ-AIUMHDJVSA-N 438.912 0.885 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1 1794553778 CIKWRSWXAQLQDU-RDTXCKDWSA-N 439.476 0.122 50 20 ICGD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n1 1794880253 LLKUPZOGXHFBAX-SNOXVSQISA-N 441.492 0.240 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)no1 1796418969 YGTKZEZOEOUIAC-HBCWATKFSA-N 438.557 0.753 50 20 ICGD O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797655395 RWDDLVPIZJWOML-MBLNEYKQSA-N 435.168 0.372 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc(Cl)cn1)C2 1798440842 YUOKIEZAEXWWKZ-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(C)s1 1801009366 AHJBQABTBKTCOF-YVWYUNDQSA-N 437.566 0.265 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2)C(Cl)Cl 1801016577 NGUAUGYCTWHLDJ-BZBKMWRSSA-N 431.301 0.763 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)C1 1801670946 BRPLAKSRVODWFR-QMIVOQANSA-N 442.944 0.893 50 20 ICGD N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807113827 VNMYRCFPKSPVAP-PBHICJAKSA-N 437.342 0.712 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807116604 WHIHRYDBLKLZJK-VQIMIIECSA-N 432.601 0.779 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363930 GHUGOSNHDRMUKP-IEBWSBKVSA-N 425.294 0.506 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808453204 OZSRLHYDIOZLSL-YLJYHZDGSA-N 446.552 0.233 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1 1810297892 FVDRTNIRIYSPKI-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1810420229 HVWQXGPUFAHWBS-AVRDEDQJSA-N 447.304 0.355 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1811472155 XFIZZOLTBUWOJH-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070254 FKRRJAPNAYWNOG-HNAYVOBHSA-N 443.508 0.653 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336003 WMNZZPNIOMLQJY-DOMZBBRYSA-N 427.291 0.087 50 20 ICGD CCc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339971 YDPGSWNUXJHBMN-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCC(O)CC1)CC2)c1cccc(B(O)O)c1 1815361661 MWOWMRUEHARWRB-DSSZZKGTSA-N 443.334 0.600 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(=O)oc1 1816643179 SECOUYCMIOUJJE-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1822000819 LYZDYZTVAWKXMC-AWEZNQCLSA-N 434.497 0.728 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)no1 1824186325 RFGOWMNINHKIDH-IRXDYDNUSA-N 440.928 0.932 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)COC1 1824916900 NZSKWRNACXXFMS-NSHDSACASA-N 444.517 0.794 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1830236244 QONIMTDJBFIUQZ-NEWSRXKRSA-N 429.005 0.842 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831657527 PIAWQZLAYWWAJX-DYVFJYSZSA-N 431.946 0.761 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832416311 XQKXZSMCCDMNSX-RXVVDRJESA-N 445.988 0.817 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnc(Cl)nc1 1833013107 IXIUHYSNMFLMJZ-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827626 HCYPLSOUSGCSPL-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD CCc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1F 1834039224 UMACXJWWIFPHLP-HNNXBMFYSA-N 429.924 0.896 50 20 ICGD O=C(CC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834660073 HYEJMHCLZCSXMC-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)NCc1ccco1 1837637315 HUWBILPRHATHDO-HECAZONMSA-N 443.859 0.443 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1837711595 LNXKSJMGXGPXFV-MRXNPFEDSA-N 438.500 0.404 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838760455 SIRPAOMBFFEHNE-KUHUBIRLSA-N 443.932 0.357 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839152356 WWUYLUYMFBEBPN-ROUUACIJSA-N 436.336 0.302 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839199604 QTDYGYMDJHKXDU-WBVHZDCISA-N 447.305 0.500 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635494 VZODWCIJPOPELA-UWVAXJGDSA-N 438.887 0.743 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839965195 QGEVIGFWOJIPSU-QAPCUYQASA-N 443.342 0.891 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006191 SZCYGGDXYUWMFF-XHNVJUCFSA-N 428.913 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007166 QNUJYLHGFLHEPX-PHSYYZNHSA-N 444.912 0.040 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1840152196 ASLMCEBQRVJCNG-IERDGZPVSA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840153046 BIFOZVBFVJGDTP-MGPUTAFESA-N 436.896 0.887 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233683 NOWXLFAQJLGZPH-SUNYJGFJSA-N 446.342 0.143 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn(Cc3ccccc3)c2)C1 1844485812 XWUIJXWWHJUXQG-UHFFFAOYSA-N 444.300 0.742 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)[C@@H]2C1 1847563296 IDWOCVAZPBXOFU-OHQCYIMMSA-N 427.929 0.901 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847755163 NQWYHRFABGZZBK-QYZOEREBSA-N 436.273 0.412 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 23370342 JBVUALAFDGSQDE-IRXDYDNUSA-N 433.528 0.709 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccccc2O)c1 28667875 VMEFSBVQHCPTBL-UHFFFAOYSA-N 448.501 0.554 50 20 ICGD C[C@]1(NNC(=O)NCCCNC(=O)c2cccc(Br)c2)CCS(=O)(=O)C1 726261565 YPSZBJRPQGTUAK-INIZCTEOSA-N 447.355 0.950 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)CC1 728214418 OSLIXJYNQFJYSE-UHFFFAOYSA-N 445.501 0.711 50 20 ICGD C[C@H](NC(=O)CCC(=O)NNC(=O)c1cnn[nH]1)C(=O)c1ccc(Br)cc1 732074718 RMDLCRIOTRAWBJ-VIFPVBQESA-N 437.254 0.496 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(c2ccccc2F)C1=O 732819741 BHQWPJHKUHZTSB-CYBMUJFWSA-N 448.480 0.868 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 744404906 FUNVFJGLCKFLDQ-UHFFFAOYSA-N 436.428 0.685 50 20 ICGD Cc1c(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748081460 ZXQWYQRDKOCNOL-UHFFFAOYSA-N 441.517 0.638 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 762621747 DXDBHQHTQYCZJW-CQSZACIVSA-N 431.409 0.071 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 763445460 HYLWONVNAPXKIT-UHFFFAOYSA-N 427.373 0.947 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCCC[C@H]1N1CCOCC1 763607240 CSHUFRWATBDHHP-ZWKOTPCHSA-N 431.541 0.667 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 763804869 VUHQPEVVMDWKAO-UHFFFAOYSA-N 430.299 0.519 50 20 ICGD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916979 MXVMOCPIRXWYQK-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1 763945358 WYWMWWYRWHEHMG-UHFFFAOYSA-N 440.416 0.398 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)c(Cl)c1 764001966 HZLJZVHICGNKJH-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764133582 WGIOIZGRQHUFAX-UHFFFAOYSA-N 439.428 0.076 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764405783 NGZKYCVLNFFNLJ-UHFFFAOYSA-N 426.477 0.579 50 20 ICGD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764432007 HYWDRWOCTWRUFH-ZDUSSCGKSA-N 435.355 0.232 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 764434579 QRWMKEBNIWWTSV-INIZCTEOSA-N 430.486 0.812 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1-n1nnnc1C1CC1 766269734 DSRYVPXSUXWCOL-UHFFFAOYSA-N 425.409 0.429 50 20 ICGD Cc1nn2cc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cnc2c1Cl 766320601 IFFBSDWSIHMPJO-UHFFFAOYSA-N 428.883 0.492 50 20 ICGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660579 NIKRAZLQRBFHMS-UHFFFAOYSA-N 449.899 0.800 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 766844919 HAMFQXVHYPLBSH-UHFFFAOYSA-N 445.545 0.155 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 767272254 FRSJTYIEGFBJLY-UHFFFAOYSA-N 442.384 0.744 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)c1ccc(Br)cc1 771449552 SREGGKYSIZKIAB-UHFFFAOYSA-N 429.271 0.851 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 772147162 VQEURLZQLOGRFQ-ZDUSSCGKSA-N 428.486 0.191 50 20 ICGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1 777940094 WFQRXMROKFSLGA-UHFFFAOYSA-N 425.467 0.715 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)cc1Br 778715408 WUKFOTINJXOXCJ-SNVBAGLBSA-N 432.271 0.985 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 779868363 ZGIIZRSRVNWEIZ-UHFFFAOYSA-N 442.501 0.872 50 20 ICGD COC(=O)CCSCc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783428085 SWQGTHHCBQJKMY-GOSISDBHSA-N 443.547 0.619 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 785061568 XVSMPXVWWBYNFM-UHFFFAOYSA-N 434.456 0.899 50 20 ICGD O=C(Cn1c(S)nnc1-c1cccs1)NNC(=O)c1ccc(-n2cnnn2)cc1 789059427 RPOXWRVKHLFLDZ-UHFFFAOYSA-N 427.475 0.732 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1C 792855027 MTPLUBYQFLFTLF-INIZCTEOSA-N 431.580 0.854 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc2c1=O 794063012 FTVNMPYXWWLHCV-UHFFFAOYSA-N 439.428 0.809 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 795178315 YLSWYHNNMDXTJT-HXUWFJFHSA-N 445.501 0.847 50 20 ICGD Cc1ccc2c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)csc2c1 795180278 UWCNNJGYXXEOHJ-UHFFFAOYSA-N 426.458 0.418 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368503 BTMCODNELGTNIX-UHFFFAOYSA-N 441.444 0.449 50 20 ICGD C=CCNC(=S)NNC(=O)c1cc(I)ccc1-n1cnnn1 798305474 QMBADTDBRBSKCH-UHFFFAOYSA-N 429.247 0.562 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 799520284 RVVSWTSKNARPOB-UHFFFAOYSA-N 440.503 0.160 50 20 ICGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 799715793 UNTWQYMCKWZNQF-MUUNZHRXSA-N 442.563 0.716 50 20 ICGD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 801139394 FCMTVSNYTBSDTG-JOYOIKCWSA-N 436.943 0.673 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)NC1=O 802067496 UKISKHBOKJHBDW-IBGZPJMESA-N 445.457 0.611 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1F 810384721 GEOSIQINXKHRRP-UHFFFAOYSA-N 438.463 0.996 50 20 ICGD CC(=NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811632592 VMKJAVYTUMRJFO-UHFFFAOYSA-N 443.485 0.686 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3C(=O)NC(=O)NC3=O)c2)c(C)c1 814212917 PHYMVVPDSPBLKX-UHFFFAOYSA-N 443.441 0.556 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1-n1cncn1 815751487 BFTKHCRMBLSYAP-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c([N+](=O)[O-])cc1OC(F)F 816872448 JVDULJSOXVRTFN-MRVPVSSYSA-N 426.336 0.820 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1C[C@H]1C)N(S(C)(=O)=O)CC2 913161582 OOJDKXYVKBVEPL-ZLDLUXBVSA-N 425.507 0.756 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 913588168 SVAUUDOOQSXBIP-UHFFFAOYSA-N 429.458 0.700 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 915141519 UIIRDSKXIOBDDQ-JKSUJKDBSA-N 429.564 0.580 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cc(Br)cn2)cc1)N[C@H]1CCS(=O)(=O)C1 919886010 OXGKRVYJBZAFBX-LBPRGKRZSA-N 442.295 0.766 50 20 ICGD COc1ccc(Br)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919960743 FZNKDUBQDCAWIL-SECBINFHSA-N 442.313 0.137 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 920006870 YRCSSBNZVPBXLN-HNNXBMFYSA-N 432.864 0.713 50 20 ICGD CO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098115 CFCJKPWXPWIMHS-XCLFUZPHSA-N 435.433 0.999 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1781230597 VZCBZNVQDKICEG-DLBZAZTESA-N 431.276 0.855 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331370 JEBGRCIDQHYOKG-BBRMVZONSA-N 426.246 0.863 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783349127 HZWQKVVMLOWZNH-HSMVNMDESA-N 436.303 0.054 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783811844 YYXDOZBSQNTFMQ-SELNLUPBSA-N 428.533 0.993 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2ccccn12 1783935337 SSTGQUOUNUILEN-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)c3ncccc13)CCO2 1783936078 QSBFEBPJHTZQQM-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)cn3)C[C@@H]21)[C@@H](O)CCl 1784086139 GNDVJZOQHROBPX-LVGORTOPSA-N 433.839 0.876 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785496365 ISQWVCYZDQMIHN-OCCKZLSWSA-N 431.493 0.377 50 20 ICGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)cn1 1786240928 WYWICFLJKOBVLV-OBJOEFQTSA-N 427.299 0.864 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790565958 ZMLVZFWTVPUPLO-DHMWGJHJSA-N 441.326 0.878 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1793839584 HPDJISCDMZJBOK-JKJDWNRSSA-N 445.944 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)on1 1794843258 KTQFYYOHHXYSSJ-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)[C@H]1SC(=N)NC1=O 1795112347 ALJYVZXFBBWXBF-VKISENBKSA-N 447.355 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(F)c1 1795298609 VBBPTPZPXLQTMA-USGNIVHTSA-N 438.475 0.470 50 20 ICGD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736781 GLBIISYPUHLCAU-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799487042 XSULSWMOKSSONQ-OQMKEHIESA-N 427.841 0.757 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H](O)Cc1ccccc1 1800632874 LNIXFWBWHLISJT-DFGXFYAUSA-N 425.323 0.965 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1800762707 ZFSAPHFSMIXNQK-FMPTWSOUSA-N 425.323 0.963 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369755 UPPDPNMSZKVZQA-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nccs2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369769 UQZLLIWFOHOYGH-WMZOPIPTSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374223 FRPIFWTXDKBDHS-CGTJXYLNSA-N 429.232 0.736 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812909170 VJRUTMQLKIKFBB-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067894 HHUGADLRLMPFDR-BLIXFSHQSA-N 429.521 0.499 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070017 CHGMEFBFSDHKAQ-KXBFYZLASA-N 428.497 0.201 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cccc(O)n1 1816458289 YECVPIYMPIXCDR-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]n1)CC2 1817279789 FKCWUHKJKYVVPE-QQUKTLKZSA-N 441.477 0.621 50 20 ICGD CCc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n[nH]1 1817702940 KIQKHVHNUBUWRM-SFHVURJKSA-N 436.281 0.995 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561064 BOWQKCNCITWHMR-DTWKUNHWSA-N 427.918 0.642 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1819852279 VLVMUKQFSXMTDA-RTXFEEFZSA-N 447.897 0.150 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821636081 XHNIJCVKSWQZCY-BYIUCRAPSA-N 433.513 0.815 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)c1ccccn1)CC2 1826085432 TVQANWNDCHGADT-XIKOKIGWSA-N 445.549 0.523 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1829859200 BYRNEFCCZSNMMA-BMGDILEWSA-N 438.352 0.594 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732509 ZFQATQCXKUUHMU-RDTXWAMCSA-N 448.303 0.170 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1831108515 QSEYQRNLDYCNMI-QFBILLFUSA-N 446.386 0.958 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831643952 MDZUMDXBLOTLAH-BFUOFWGJSA-N 440.884 0.652 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1831830885 JQVCTSCNWPXVTR-ABSDTBQOSA-N 431.961 0.511 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831869820 NFNXHNARPINEQM-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236899 UWRVYNXYYMUKGB-WBMJQRKESA-N 430.303 0.059 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536289 QIKQVMPPTYICBG-XHDPSFHLSA-N 433.328 0.782 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834322641 ZXAWEJAOOPZDFB-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834543219 ITRVFGNTNYBJBH-IFXJQAMLSA-N 428.938 0.907 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834689348 HSOUIHWVQMKRRZ-HRAATJIYSA-N 438.617 0.304 50 20 ICGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Br)CC2)CC1)C(=O)O 1834739444 APFYKOZFQXQLLU-DOMZBBRYSA-N 447.374 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836141035 MSMKQAHVMQCEMT-GFCCVEGCSA-N 440.342 0.739 50 20 ICGD O=C(CSc1nc[nH]n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720585 XODNIPOQMXXKSB-CQSZACIVSA-N 431.946 0.495 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837023014 ZFKBUOUEDWUWKR-XLIONFOSSA-N 434.880 0.300 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837401278 XMJISPDRPCVFIK-AHIWAGSCSA-N 437.306 0.706 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837711328 DMPYUKQZCCITED-SFHVURJKSA-N 426.546 0.228 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838723653 ISCRESYRDZAGIC-FZKQIMNGSA-N 448.303 0.413 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827000 LLBZNBCBWPVGIH-SFHVURJKSA-N 440.529 0.844 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198912 FQONNOOKOAXJCG-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199518 PGKGQKYMKIEGMP-RDJZCZTQSA-N 437.306 0.950 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1839966196 XHFFIAFZMJZVHU-YOEHRIQHSA-N 429.315 0.962 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840031578 VEGRETIMVJFLJX-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1840153403 NLLBTQWEUFFRCE-SGTLLEGYSA-N 442.925 0.948 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnc3ncccn13)C2 1843416075 WHGDCEZLDSASHD-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCOC2)C1)NC(=O)NCc1ccccc1 1847035633 ZULOMBQBPREVSO-LJQANCHMSA-N 443.548 0.963 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(=O)[nH]n3)c2)cc1 45574398 WNCGFLATWWXYTL-UHFFFAOYSA-N 443.441 0.654 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 45593136 XDGHVCBYQMFFDE-UHFFFAOYSA-N 445.457 0.835 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1C 728376803 KEWCUIFLDDZUKV-ZDUSSCGKSA-N 437.547 0.948 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCCCN1CCN(c2ncccn2)CC1 729221137 JBHYAFOYFFTKHJ-UHFFFAOYSA-N 445.499 0.927 50 20 ICGD CCc1cc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2)ncn1 732915205 YNDQKHPUGRVZAB-AWEZNQCLSA-N 431.522 0.830 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 733755350 WTBFXTVKQNZMGI-QAPCUYQASA-N 449.423 0.751 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 734420139 WHMRICIMOHPERD-UHFFFAOYSA-N 427.446 0.195 50 20 ICGD CCc1sc(C(=O)NNC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1C 735979743 FTDJTYZNTDMVQC-UHFFFAOYSA-N 438.897 0.481 50 20 ICGD CN(C)c1nccc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 740112471 KEPPMDVSELFBLA-ZDUSSCGKSA-N 446.489 0.623 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 740783620 PPHSDWOQLBTDGI-UHFFFAOYSA-N 439.446 0.038 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc2c(c1)OCCO2 741747452 PKOVHPVXLVDQLX-AWEZNQCLSA-N 427.417 0.409 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 749222451 YCQUCZITEZQCRJ-UHFFFAOYSA-N 436.472 0.616 50 20 ICGD N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 750047089 LHAZLLNTVANFEI-LYLJRQEESA-N 433.490 0.380 50 20 ICGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 753361229 ZTWJOPZNHVTJOA-QWVSSGJLSA-N 430.552 0.572 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755086177 NOVFPDGUEZVYGW-RPLLJCPNSA-N 428.445 0.212 50 20 ICGD Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756081937 ROCHGJOQJOQTFR-YPMHNXCESA-N 443.323 0.864 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c1 756643243 YJVVVUJKTKGPQC-UHFFFAOYSA-N 438.463 0.715 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)cc1 757720092 JCUWVJCPTZEBPU-ZDUSSCGKSA-N 437.526 0.308 50 20 ICGD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758045536 OYWKWOHXEIJVNC-GFCCVEGCSA-N 443.485 0.393 50 20 ICGD CCC(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535401 OCFFERAIZMJVPJ-LLVKDONJSA-N 430.390 0.461 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758818916 BMRBXCFZTNNCJD-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 759293434 XLPATKRIRFXGMD-UHFFFAOYSA-N 445.501 0.828 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763551455 OFTGOVYOZLNMNJ-UHFFFAOYSA-N 426.385 0.712 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccnn2CC2CC2)cc1 763738064 SUAWLVIJBSRHQX-UHFFFAOYSA-N 448.505 0.008 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 763957457 DPBBRKKJLDISRH-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 764199520 UUXAOSYVGBGLFG-UHFFFAOYSA-N 427.527 0.525 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 764398384 GPVPJTPNPOUESK-HNNXBMFYSA-N 435.525 0.354 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 764426403 ULFZSGREMFSFBM-SWLSCSKDSA-N 427.841 0.399 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 764431188 ACZREHKZQOZBLR-CQSZACIVSA-N 430.383 0.807 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2CCCO[C@@H](C)C2)nc1 764581715 GAUSLBOMFCCNHM-HNNXBMFYSA-N 428.559 0.895 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 765665606 KPVQDXYVBKNKPD-SNUQEOBHSA-N 432.543 0.978 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3ccc(Cl)cc3n2)n(C)c1=O 765728509 SIJQJWVQESEMDR-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD CC(=O)N1CCc2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)ccc21 765737653 HRCYNZPRZHXISL-UHFFFAOYSA-N 449.511 0.815 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766324524 PHINLPXTUDQNEX-INIZCTEOSA-N 440.368 0.849 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCc2n[nH]cc2C1 767116612 XOVXEBPKOFPBKI-HNNXBMFYSA-N 432.506 0.696 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 770990509 PNDVQNODSBPXTI-ZDUSSCGKSA-N 449.574 0.680 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773495387 AZNYJXLARLRLQL-LURJTMIESA-N 430.792 0.382 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c1 779467042 BVJRANNEARNAHV-NSHDSACASA-N 440.482 0.039 50 20 ICGD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782894565 PBNQQPXKGGTGGH-UHFFFAOYSA-N 426.389 0.819 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264944 UJVBTSYYUGMAEJ-UHFFFAOYSA-N 449.489 0.945 50 20 ICGD CN(C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1)C1CCCCC1 784002743 MBPYXBRTYLJZIP-UHFFFAOYSA-N 443.504 0.800 50 20 ICGD CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005401 YZKZALSUYRKULC-UHFFFAOYSA-N 445.501 0.792 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccccc2S(N)(=O)=O)cc1 788223580 KNUJVDVLDBBTBK-UHFFFAOYSA-N 440.503 0.348 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789736010 YNVIADSRABETDH-XWLWVQCSSA-N 429.524 0.070 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3n[nH]cc3c2)CC1 795108512 IOUOLAKXVSAIFY-UHFFFAOYSA-N 429.506 0.580 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1C 798309328 FEDIEUMTPJGXEC-UHFFFAOYSA-N 435.440 0.661 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)NNC(=O)Cc3cc[nH]n3)cc21 800592236 NYAXWSXTSKFBSW-UHFFFAOYSA-N 426.481 0.986 50 20 ICGD Cc1nc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)nn1-c1n[nH]c(C(F)(F)F)n1 802101212 JNJVQJHHXJYHSR-UHFFFAOYSA-N 439.314 0.908 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 807371971 XKWMTTRSENCZNC-UHFFFAOYSA-N 427.479 0.790 50 20 ICGD CN(C)NC(=O)Nc1cccc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 807949571 JEIUVMMLQUYEAF-LJQANCHMSA-N 432.481 0.839 50 20 ICGD CN(CCn1cc(Br)cn1)C(=O)NNC(=O)CNC(=O)c1cccs1 808258028 TUFLBLFJHIHRRW-UHFFFAOYSA-N 429.300 0.810 50 20 ICGD Cc1nnc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 812485829 ZXVNCVQBUZZWMW-UHFFFAOYSA-N 438.535 0.818 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2-n2ccnn2)cc1 813033610 BKEUIENZWYZPFB-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CC(C)(C)OC(=O)N1CC2(CN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 814662971 MHRKIVTWPBKYON-UHFFFAOYSA-N 449.464 0.678 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 815752354 OPHLQWKSLYKLGH-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 915188158 WKRKLAXUHJRXGN-CVEARBPZSA-N 441.454 0.803 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(C)(C)C)CC2)cc1 917181488 LZXQAYLYRBMXLV-UHFFFAOYSA-N 438.550 0.802 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)NCc1ccco1 917903678 FVFBEPMKOZXGFO-UHFFFAOYSA-N 428.493 0.439 50 20 ICGD O=C(NC[C@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 918109149 WRBAMOZONYCJAG-KRWDZBQOSA-N 448.501 0.525 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 918229967 ZAUPOIUIJKJARZ-UHFFFAOYSA-N 429.458 0.351 50 20 ICGD O=C(NNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 919889589 PGNLJVUTXCVGMI-INIZCTEOSA-N 428.474 0.611 50 20 ICGD O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)N[C@H]1CCS(=O)(=O)C1 919890110 ZWVJFVNPEXHWGK-NSHDSACASA-N 428.467 0.992 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1CN1C(=O)CNC1=O 920934110 CBJKPKPNJVCWAB-UHFFFAOYSA-N 425.401 0.976 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777859684 CQEOOYHNYLAYIN-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncccc2F)C1 1779895014 LLDYDJOQHBFKMY-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2CCC3)C1 1781285659 DKKJDENIFWLZEY-XMSQKQJNSA-N 446.552 0.330 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)n1ccccc1=O 1781330882 AKMBLIIOBFUPRL-MRRJBJDNSA-N 430.274 0.930 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1783498721 JCRDSICIBKIKQB-KKUMJFAQSA-N 434.400 0.800 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1783872776 HCEMZVICHYYFMV-XLIONFOSSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1783936135 DLZSBLBZYXYNHX-YKSBVNFPSA-N 442.560 0.994 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783965801 SGVPGZGVCYMEFV-QPSCCSFWSA-N 432.359 0.769 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H]2C1 1784185890 UCRJPQXGZUQDCN-WMDQAJGNSA-N 433.509 0.117 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H](F)c1ccccc1 1784902808 VTQVLUVOLYDQAG-VMXMFDLUSA-N 440.280 0.671 50 20 ICGD COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n1 1785226918 TUEDXPHBRXOJLN-LLLHUVSDSA-N 425.913 0.602 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1786407608 AIZKPOCVEOMZSM-IHRRRGAJSA-N 427.299 0.620 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)cn3)[C@H]2C1 1788864722 PORVLTJNMJAWAR-QRTARXTBSA-N 437.928 0.701 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1791055420 VNEKSKMRNSQDTQ-UHXUPSOCSA-N 429.315 0.358 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1 1792233714 XIVODZZZDVXGAA-XEHJXZTKSA-N 436.317 0.763 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371769 URYWSQGGTBJWRG-NWBUJAPZSA-N 425.345 0.040 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C)n1 1794682203 YDJBIADSWSGFCS-LLJCUJCISA-N 438.488 0.727 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)C1 1795113241 PYRZSWRSUPWWHO-AQDIXCGQSA-N 431.327 0.950 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nc2nccn12 1796193143 OKEGIDLHGUIRLX-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(F)ccc2n1)c1ccc(B(O)O)cc1 1798090178 GRLCPLOSTILOGV-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1800168064 SWNHMVNLVKADOV-XLWJZTARSA-N 433.933 0.500 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180785 OKGSXXVWBVFPJR-DMVWFOPNSA-N 441.326 0.878 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1800639044 GKTRSTGGFPLFHK-NWJSVONSSA-N 427.299 0.989 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1800978778 JTKCBAKNZKJIHA-OXIQGZBJSA-N 440.909 0.213 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012690 GFGNIFQYAHWVBG-LAVAIGHBSA-N 431.537 0.223 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802654748 ORSGXIKTYLLOAU-RXVVDRJESA-N 425.294 0.506 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803580502 GYSYDLYRLUMQKI-SLBVQIDZSA-N 431.942 0.368 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnc(F)c1 1803840002 IWLXCINQNAIQHX-GHTZIAJQSA-N 448.263 0.929 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806776418 JCUDSIKXSHYLFD-PXNSSMCTSA-N 425.294 0.242 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366384 YXCPIMQHPDSGNI-HKUYNNGSSA-N 431.261 0.185 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1808661545 MKLHKLRJUKFOAZ-AYRXBEOTSA-N 444.305 0.371 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 1809971576 ZQWHPOKWGOMUSJ-UHFFFAOYSA-N 441.253 0.156 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc4ncccn4n3)CC2)C1 1809978815 UJJHDSZMGZKJDJ-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1810297125 AMPINBFDZJWEIJ-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1c1cccnc1 1813069520 YVJMBKXJLTYNJF-LQWHRVPQSA-N 430.553 0.555 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814893385 SJVPJDGSMZBDTH-OALUTQOASA-N 439.325 0.880 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)on1 1815713083 YLTYGEHMCVZWCE-SFHVURJKSA-N 437.265 0.935 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819261935 IMOQFOUHFWWHBM-AUMHUTNHSA-N 446.338 0.554 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820872274 AMQNHGJLYWQEII-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1 1822413219 OQMQTMMCSGAJNN-CQSZACIVSA-N 430.469 0.584 50 20 ICGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830366261 MXALGAQVHXEZAZ-GOSISDBHSA-N 434.990 0.192 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725483 ORGPSXDIWXPWJU-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCS(C)(=O)=O)CC1 1831876916 MGKZUCNFUNQCJA-KRWDZBQOSA-N 444.598 0.414 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312794 DWSLSBQFMKPAQO-KBXCAEBGSA-N 425.961 0.924 50 20 ICGD CCc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1F 1834039225 UMACXJWWIFPHLP-OAHLLOKOSA-N 429.924 0.896 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834818853 DTSJDBURMAOSDI-INIZCTEOSA-N 431.287 0.162 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1834823010 DKGUHQUQXVPCRY-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccno3)CC2)CC1 1835737199 VWZWXAMCZDRTKG-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD CC(C)(C)n1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1 1836173350 LZKGAPBFEGECFZ-QGZVFWFLSA-N 440.976 0.818 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1Cl 1836232240 LHTJNZFLECOQBG-XIKOKIGWSA-N 449.335 0.949 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)C1 1839063990 LGVVLQRZBOKYCS-QAPCUYQASA-N 432.359 0.570 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cn1 1839150879 AIEFVYJBVHEFLB-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1F 1839198036 QXRQAZJNSHMOFI-DOMZBBRYSA-N 437.241 0.618 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839642996 AVMYMFBNDGRRDX-RLFYNMQTSA-N 434.375 0.957 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839963027 XTXYMQYNACAIKG-GUYCJALGSA-N 429.315 0.962 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847455564 GNXRSEKEEDTHLZ-YESZJQIVSA-N 435.908 0.569 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 15524779 ACYODRSQRRGKJS-UHFFFAOYSA-N 448.457 0.999 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195853 RYLGBTUTQROUGF-JTQLQIEISA-N 433.421 0.190 50 20 ICGD N#Cc1ccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 726983663 UWVAENOAPDOPFC-UHFFFAOYSA-N 434.500 0.648 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3c[nH]c4ccccc34)cnc21 727099258 ZGKAEMZUNVRGIG-UHFFFAOYSA-N 444.249 0.835 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)c1cccc(OC(F)F)c1 728596025 DRZLJZNHNQHTLE-UHFFFAOYSA-N 427.389 0.755 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CNC(=O)OCC(F)(F)F)c2ccccc2c1=O 729258448 WPQMZMKLXJRFPF-UHFFFAOYSA-N 429.355 0.856 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 729617770 GWKXFZQHJGFBRN-VQTJNVASSA-N 430.553 0.392 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O 733124971 AOMPLFKNCDCUJM-UHFFFAOYSA-N 447.411 0.116 50 20 ICGD CCS(=O)(=O)CC(C)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 733745518 NVOJZFAJWCDAFH-UHFFFAOYSA-N 445.563 0.567 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cn(C)c(=O)n(C)c3=O)cc12 734990632 OQYNVVXKJYXEFU-UHFFFAOYSA-N 438.469 0.868 50 20 ICGD Cc1nnc2ccc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cn12 735117142 BWIPCHGSQKGJAM-UHFFFAOYSA-N 430.494 0.126 50 20 ICGD O=C(NCCCN1C(=O)COc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 743640456 LBWXWXAQNTWRAS-GOSISDBHSA-N 426.429 0.973 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 744059566 UJUKTCZCLLFVBR-HNNXBMFYSA-N 440.522 0.501 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 744525988 GBGPQGNRSGFUDO-UHFFFAOYSA-N 442.453 0.716 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 745996101 MSQKMRCAGZFCKT-UHFFFAOYSA-N 436.534 0.649 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)N1CCCC1 746186749 ZZWZVQFJXSXVJI-AWEZNQCLSA-N 431.449 0.224 50 20 ICGD COc1cc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1OCC(N)=O 746758562 MBVRLYHPDRHLHO-UHFFFAOYSA-N 426.433 0.280 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)Cc1cn2ccccc2n1 746768979 HVFKNOASPDSIEW-QGZVFWFLSA-N 436.520 0.813 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1 746993291 RBXDYSLUEFGVID-UHFFFAOYSA-N 437.412 0.758 50 20 ICGD CN(C)CC(C)(C)CNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 749843214 ASIHEHLESGFXIB-UHFFFAOYSA-N 442.564 0.735 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cc1C 751268080 UFHJEFIMIQNXQM-UHFFFAOYSA-N 439.421 0.854 50 20 ICGD CS[C@@H](C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 752688560 JMEIECRWUZZGKH-AWEZNQCLSA-N 444.579 0.722 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763425406 JJKJCAPKSHGKFE-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 763568232 HDDRWZYZMPEGTM-UHFFFAOYSA-N 438.412 0.805 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(C)o1 763576540 OCOYQKAUAUFLOS-UHFFFAOYSA-N 438.437 0.876 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c2ccccc2O1 763623764 GVMFMJKRGIXRJN-HNNXBMFYSA-N 437.412 0.371 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763673228 BHHCGWARNLZUCM-UHFFFAOYSA-N 434.405 0.266 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(C)C)c2C)c2ccccc2c1=O 763786456 ODFVSZFAAIXNFW-UHFFFAOYSA-N 439.476 0.977 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 764298127 OELQYMUYKDEZLH-UHFFFAOYSA-N 448.505 0.683 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 764368739 YBVMSLUTRFWIIR-UHFFFAOYSA-N 443.460 0.283 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 764421743 RKTDADCTNTZIPZ-VXGBXAGGSA-N 436.465 0.185 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cn1cnc2ccccc21 764535101 ZDAMQXISIYTJCP-ZDUSSCGKSA-N 426.458 0.422 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n[nH]2)c1 765576145 NOVDQDOWDHVXKQ-PSBWJHGTSA-N 437.456 0.617 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 767260769 UEOLLIIMZWUGKM-UHFFFAOYSA-N 445.497 0.983 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 771852518 YBKIINRNUQVROC-IHRRRGAJSA-N 441.506 0.587 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 772095950 HFRIONASRHJGSM-GDBMZVCRSA-N 425.507 0.718 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 772830674 LARCJTMLOKVRKY-UHFFFAOYSA-N 434.478 0.390 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCn1c(C)cc(O)cc1=O 782283318 KKAVOKBQLVEAML-UHFFFAOYSA-N 437.836 0.919 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCS(=O)(=O)C1 783427388 SHUURSVWURXXHA-IBGZPJMESA-N 428.474 0.557 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CCS(=O)(=O)C1 783428939 ZPWVNVUWZYDFOT-NRFANRHFSA-N 444.513 0.753 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(F)cc2Br)cn1 784803724 RLCHUWBGZJJZGK-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cn1 784834367 YPIJEXOPTKACTM-UHFFFAOYSA-N 438.510 0.688 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1ccc(-n2ccnc2)nn1 788177206 CSWFUVGCIDLNOB-UHFFFAOYSA-N 430.494 0.932 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21 792855843 UUPPTOKEYJGFBY-GFCCVEGCSA-N 435.506 0.500 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 796185745 HEEDOXRILPVSAP-UHFFFAOYSA-N 444.469 0.355 50 20 ICGD O=C(NNC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 807134907 ICNKKRVGXYICDN-UHFFFAOYSA-N 434.460 0.911 50 20 ICGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2 809983547 MUCWQGIXWQABJE-MRXNPFEDSA-N 431.518 1.000 50 20 ICGD CCCCN(C)C[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812505958 HNSSTNZPNRSNPY-MRXNPFEDSA-N 441.602 0.764 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(Br)c1 815692647 XKSORKLKYXQBOT-SECBINFHSA-N 437.254 0.398 50 20 ICGD Cn1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 839384069 SQWGWHXCQPLYLZ-UHFFFAOYSA-N 433.490 0.023 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C 861674026 JDVAECGPDBSECH-UHFFFAOYSA-N 430.442 0.477 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1O 917374992 NLHTYAGTQQQXML-UHFFFAOYSA-N 435.458 0.497 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)cc1 917688920 QJOWJADXMCTDGF-KRWDZBQOSA-N 438.550 0.800 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 917728659 CQYDCMYPBCLWPL-UHFFFAOYSA-N 435.458 0.803 50 20 ICGD Cc1noc(C)c1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920279191 KWVRIPVKEHIMKA-UHFFFAOYSA-N 437.478 0.457 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1320073073 YFBCUOKEAUBYKK-KBXCAEBGSA-N 425.511 0.825 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1325392490 VIXLBEDWOFCQDD-UHFFFAOYSA-N 425.488 0.002 50 20 ICGD O=C(c1cnn2cccnc12)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778445699 IIRJCRUQJFDUDJ-WBMJQRKESA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1 1779032175 DZFFRPMUFJAKRR-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD O=C(c1ncccc1Br)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779650009 XSGRNVUJVTZVRE-MLGOLLRUSA-N 432.702 0.887 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325966 TVLGWWJREXVAFI-TZMCWYRMSA-N 427.292 0.413 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1O 1782126772 IDHUFETZILVBIH-VQIMIIECSA-N 425.869 0.394 50 20 ICGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CC3)C2)C1)NC(=O)NCc1ccccc1 1782909908 BKFRFMXNSBJUJB-OAQYLSRUSA-N 447.511 0.665 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1783936316 FTZACOCKXLRTLL-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1F 1783936989 BYQKUTGUUDYUKN-NRFANRHFSA-N 436.484 0.651 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4nc[nH]c34)[C@H]2C1 1787298145 ZYRJKQSWDSHXPU-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610627 MZRFZHMFOROAEB-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD C[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1791746807 XONKLHNYFLXANO-BWOMAWGNSA-N 428.338 0.786 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(OC)cc1 1792727365 KHCDSYIXMXTIOB-CSHUHZATSA-N 426.897 0.917 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792783236 OTSXNZHOUBFLBV-AYDFFVQHSA-N 437.928 0.450 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)c(=O)[nH]c1C 1794310292 YPPUUGSYYPXIEO-DABQJJPHSA-N 427.299 0.375 50 20 ICGD Cc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc2n1 1795738863 JOYXFQBFROYDKA-VPTLXERWSA-N 449.272 0.333 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891877 MHCVTSHPHPOXMG-MMHXOUGLSA-N 428.493 0.449 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ncccn3n1)C2 1796892494 IFLJZRPTKJJGHT-SSJPOKSSSA-N 449.475 0.510 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1804498380 YOQYRUAAQRKBNE-IERDGZPVSA-N 443.508 0.395 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364642 JOQWXMGQHWLWSB-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD COc1nccnc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807577705 LWPRSEJGQXJTKN-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1807851034 AKTDKVCILLQKQO-BVBHFADKSA-N 437.972 0.323 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809974225 SNXMEZDRFVJFAR-UHFFFAOYSA-N 442.321 0.555 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977994 QWRLSWQOOZZDIS-UHFFFAOYSA-N 438.337 0.875 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)[nH]1 1810294338 JLSLYHZGSVDACE-BEFAXECRSA-N 448.487 0.745 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811486118 MAKLDWMSJJTYDC-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)c2ccccn2)n[nH]1 1817336363 UQEOBQSKOZFSNS-JXFKEZNVSA-N 442.524 0.870 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnn3c2CCC3)[nH]n1)c1ccc(B(O)O)cc1 1817472416 IWVCKFXNCHMKAD-IBGZPJMESA-N 448.292 0.852 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474540 BMQZYRAIKWKUJT-SFHVURJKSA-N 427.314 0.736 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1826622339 IVRWASMWFVVGGA-GOSISDBHSA-N 426.558 0.642 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719431 DEBOJSUULBZSSA-YLJYHZDGSA-N 444.887 0.651 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722329 AJLKWLBWUMPSDQ-JXFKEZNVSA-N 437.880 0.426 50 20 ICGD CSc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1O 1830730622 BCVSNSBKWOYYBK-LIRRHRJNSA-N 444.937 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccco1)CCO2 1833052954 XOGRBFIVVWHBKV-NRFANRHFSA-N 436.509 0.042 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cn1 1833436938 RSRWNFFPSUIAQY-KRWDZBQOSA-N 433.292 0.749 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cn1 1833806502 CFTXXCRPERCVSL-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835482209 HMCIUJJRGZDJHZ-IBGZPJMESA-N 428.021 0.823 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717080 HBAQTCZPRREJLB-BBRMVZONSA-N 432.949 0.292 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)C1=O 1837137849 IWSVYZKYOPFOGM-DNVCBOLYSA-N 439.827 0.426 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837708441 HFSIHAIYKOTTEQ-HCZHMGAMSA-N 439.585 0.153 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1837717988 VBHKNVIFRLUSMK-LJQANCHMSA-N 438.557 0.163 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837833516 APSUDKFKBNDVGJ-INIZCTEOSA-N 447.717 0.985 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1838785038 DKHKAQAWPHZJBZ-OXQOHEQNSA-N 448.944 0.855 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1839966331 AZEYEAXAPGBMNX-JDFRZJQESA-N 434.331 0.141 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033951 VOYQWGAEAAUVGR-HBUWYVDXSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840153343 LCEGPYZPIDZUJA-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C(Cl)Cl)CCO4)C3)(C1)C2 1840189739 JPUMUCRHOSJWNK-ABHNRTSZSA-N 435.304 0.590 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc3ccccc3n2)C1 1843620939 FTLBUNYJDXLPDC-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 726076245 USRRUTVWRRFDNX-UHFFFAOYSA-N 442.485 0.858 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 726077050 NJWMWFVJDJBFNT-IBGZPJMESA-N 437.522 0.336 50 20 ICGD CN1CCN(C[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)CC1 727843814 VPFJKDJGBUAXLY-FQEVSTJZSA-N 449.519 0.595 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c1 728525643 FOCJHTVZCWXUKW-CQSZACIVSA-N 441.282 0.346 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2nnn(-c3ccccc3)c2C)n1 728731578 CTJMQDQDVVIZME-UHFFFAOYSA-N 428.474 0.816 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCN2CCOC)nc1 732462487 DQDFYQXOHFEQRY-OAHLLOKOSA-N 428.559 0.849 50 20 ICGD CN(C)C(=O)NNC(=O)CC[C@@H](Cc1ccc(Cl)cc1)C(=O)NNC(=O)N(C)C 733141585 RPKOWMGDLYWTBL-ZDUSSCGKSA-N 426.905 0.884 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)c2ccccc2c1=O 733848967 VRZDIOLIIRELOE-UHFFFAOYSA-N 428.449 0.290 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(-c3ccccc3)n2)CC1 735117161 CDGMJTGGDRUARW-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 742480669 MLPSYYKCKRUKII-OHDICMOHSA-N 445.472 0.798 50 20 ICGD CCO[C@@H](C)c1noc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 743576640 HVUZFZKORXJXFJ-ZDUSSCGKSA-N 449.468 0.049 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 744586345 KWXJYFHBBHATKU-UHFFFAOYSA-N 431.470 0.935 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)c1 744909523 BGLKSFRIDQLTPD-QZTJIDSGSA-N 443.431 0.714 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746103529 OKZINWPAQYDSCK-KNCYVLRWSA-N 425.239 0.089 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C(=O)O)cs2)cc1 747845679 HDDSKGXFUFQRGU-UHFFFAOYSA-N 447.516 0.385 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C 753020221 PMQQLRVWOCDYRO-RBZFPXEDSA-N 430.465 0.293 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 755535750 RARLSWYOFGUIQE-CYBMUJFWSA-N 437.478 0.791 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 756964760 ICXTYRJOGSRCKI-SLAYPKMVSA-N 435.506 0.372 50 20 ICGD CN1CCCC(=NNC(=O)C[C@@H](C(=O)NN=C2CCCN(C)CC2)N2CCOCC2)CC1 758117761 NLKIDWDZYFAJEL-FQEVSTJZSA-N 449.600 0.253 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3c(c2)COC3)CC1 758171664 XTRUTASXZNRUNP-UHFFFAOYSA-N 431.518 0.734 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(F)cc1F 758514106 ZWHKAGGDFLEPCE-UHFFFAOYSA-N 440.266 0.521 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2NC1=O 763570624 HGGPPXMZKMVLKZ-HWPZZCPQSA-N 426.385 0.332 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c1 763754469 RRKAPQACQMHSPF-UHFFFAOYSA-N 434.456 0.808 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002070 IOLKUSMKGSGYAG-SECBINFHSA-N 448.295 0.368 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CC(F)(F)F)c(OC)c1 764111862 GTLPXWPZILQTFZ-UHFFFAOYSA-N 429.355 0.987 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)NC(C)(C)C 764285345 ATNIQLPKGCYJBR-UHFFFAOYSA-N 436.494 0.124 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 764399918 AODDRCMJSMDXCH-UHFFFAOYSA-N 430.421 0.990 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1[N+](=O)[O-] 764431269 APLHPURYWFFUEE-NSHDSACASA-N 431.199 0.167 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)c1ccc2c(c1)OCCO2 764932743 SBPUFXRXTGXFHE-UHFFFAOYSA-N 429.454 0.916 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 765372939 DGXCITSGTKTTNA-UHFFFAOYSA-N 438.487 0.821 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1OC 768582736 VMTNZVNWOZSUNE-UHFFFAOYSA-N 436.490 0.509 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 773992266 HIATUSLIAZKQDQ-UHFFFAOYSA-N 432.506 0.883 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1ccc(S(N)(=O)=O)cc1C 775202900 QCQRUEFRTJFXID-UHFFFAOYSA-N 436.490 0.951 50 20 ICGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)n1 778711963 YUOVUBYFKZLLMR-SECBINFHSA-N 440.254 0.958 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cc(I)ccc1N1CCOCC1 779379604 NDDUEQBMRASRDQ-UHFFFAOYSA-N 432.262 0.450 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 780708496 GZSNEBUHMMBARM-UHFFFAOYSA-N 430.483 0.031 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782885943 MKVPZJPTPRLJDX-UHFFFAOYSA-N 438.488 0.842 50 20 ICGD C[C@@]1(NNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCS(=O)(=O)C1 783425551 IMQSNSIZTJQTSU-OAHLLOKOSA-N 434.287 0.675 50 20 ICGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 787438411 AFZHKNUGSAIJOH-OAQYLSRUSA-N 429.565 0.955 50 20 ICGD Cc1nnc(COCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)s1 796837628 PJVUZMMFVPTBNT-UHFFFAOYSA-N 427.508 0.527 50 20 ICGD Cc1ncc2n1CC[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C2 810414445 UEGKXYYMWNDBBU-OAHLLOKOSA-N 433.538 0.228 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(C(=O)OC)c1 815564854 VLTHVSMINCSUKX-QGZVFWFLSA-N 443.412 0.546 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccccc2)cc1 823328056 ZDEDWGGWGZZYOS-UHFFFAOYSA-N 434.474 0.401 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(Cl)c3)c2)CCN1 906306922 XWBDEGNEPJHLLY-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912919592 PNVLQGNNTKCXBN-IAGOWNOFSA-N 440.566 0.619 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 914532683 OHLGVQVZOIDGPR-LJQANCHMSA-N 445.541 0.923 50 20 ICGD O=C(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 914677243 SLYWCKPCKUTVBL-QWRGUYRKSA-N 432.311 0.356 50 20 ICGD O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 917318638 WHKWQJDBZXSRNB-IRXDYDNUSA-N 441.396 0.307 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)ccc2c1=O 917387476 TWAZRUJRMIPFMT-UHFFFAOYSA-N 434.412 0.444 50 20 ICGD O=C(NC[C@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 918108813 QLXLVNUKVLFZCB-HNNXBMFYSA-N 426.495 0.221 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 919692489 NBZGITWJANUIDG-UHFFFAOYSA-N 429.433 0.058 50 20 ICGD C[C@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1320341606 SISZIURQGGPZCS-CQSZACIVSA-N 426.543 0.452 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 1324157308 KSWDHHMIHNXTTB-QGZVFWFLSA-N 435.458 0.351 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)NCC(F)(F)F)c1 1344523397 ICSZMKHCICRSIO-UHFFFAOYSA-N 433.206 0.864 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032168 DSVDMSYFSMKRHR-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1782179736 MHRIZUOMUZKZRQ-BASYENTBSA-N 436.958 0.331 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210745 GDDXNSBQICOARY-IIBYNOLFSA-N 435.525 0.792 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCSC1 1783201775 YSXHRGYERQVRNV-SFGWALBWSA-N 446.378 0.637 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933441 JNBFNEAIYWFIEX-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccc3n1)CCO2 1783934941 NQEYOLLAIZSJSH-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1783936650 YJYINLZFKSAEMF-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1783939445 FXLGDNPCQKRUKO-WOJBJXKFSA-N 428.480 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ccn3)C[C@@H]21)[C@H](O)CCl 1784090774 MSYOLRPXRAYTNU-WQCNXYOZSA-N 436.940 0.875 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784814749 DQCPALXDIFDXHH-QXKUPLGCSA-N 445.944 0.575 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506980 MOBHBHYJNYFKKV-BJDJZHNGSA-N 429.319 0.083 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925671 GZVPYXHLPAJQSL-ZPFDUUQYSA-N 439.351 0.141 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792244128 KNVQDLSDMVTLMM-XNJHUCFUSA-N 437.924 0.384 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792867044 TXWBDRSSFYICCT-ZPLBFSLTSA-N 428.327 0.465 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793545568 XWJHZNJFYYBYAB-XPCVCDNBSA-N 426.311 0.620 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794365887 ZFGHDPMNABDDGV-NJBDSQKTSA-N 441.282 0.409 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccs1 1794896197 ZZPCPGCSIRKTBY-NECFCHHASA-N 430.490 0.480 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1cccc1)C2 1797754270 PFWBICWDPLUSLV-CWPLJXCYSA-N 440.504 0.170 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1798524304 AJMGJSDMEAEFKJ-NKGKWGDASA-N 449.407 0.661 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800079020 WQYLEAUUUMTZCU-UCSBCBTLSA-N 427.292 0.906 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801017379 SNNSRXPNZDKOHQ-WJZNIJOASA-N 426.297 0.223 50 20 ICGD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802557344 PAIHPBWJYVQZOG-SIKLNZKXSA-N 436.321 0.177 50 20 ICGD CC1(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)COC1 1802669545 SNCZQQKTVGYANR-CRAIPNDOSA-N 438.488 0.436 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)C1 1805383623 UCEVMEICMAUKGU-UONOGXRCSA-N 431.375 0.841 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374246 GEZVIQCKUBPULC-UWJYYQICSA-N 433.277 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccn2)n[nH]1 1816361507 AFWPEZFRBXRVQB-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccncc1O 1819672222 DZKCNDVIVABVMZ-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822846457 ZGQGCVMJWUAZPF-SFYZADRCSA-N 436.885 0.512 50 20 ICGD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827335449 KTPSJRXPFLECFJ-CQSZACIVSA-N 429.307 0.354 50 20 ICGD N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828803225 LCCCWODRMGBTBO-UTKZUKDTSA-N 448.907 0.952 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829092126 YLGVUYXFLRVJCW-OXQOHEQNSA-N 441.337 0.290 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720095 SSRWFIMLDONDMF-GUYCJALGSA-N 434.276 0.110 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)CC1 1831942092 ROEMAUPDDDMJJK-ZWKOTPCHSA-N 435.569 0.505 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210467 RZQWPCXYHMQZSS-MEDUHNTESA-N 447.717 0.983 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c(=O)[nH]c1C 1833390922 JVPBUNZURXREFO-QGZVFWFLSA-N 433.292 0.260 50 20 ICGD CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834572091 XCJPUMOLUXPWIF-CQSZACIVSA-N 442.351 0.293 50 20 ICGD O=C(CC(F)(F)F)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834596198 SCDVXIGEKIDUPC-UHFFFAOYSA-N 441.259 0.504 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835734360 CQBMWUMWBAPHBL-UHFFFAOYSA-N 438.532 0.284 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837051813 KHNSBAKLAANEPJ-UGSOOPFHSA-N 442.925 0.720 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(C)C 1837215797 HSEFJOSPJFSYJY-SJLPKXTDSA-N 449.342 0.816 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3)C2)C1 1837459594 LHUNLMRKTLAMLB-JOCHJYFZSA-N 439.472 0.069 50 20 ICGD O=C(Cn1cncn1)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1837965341 MXCUUCPCQYUDBX-OAHLLOKOSA-N 432.294 0.967 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839145247 ALTGHLVHPJQYGW-VCBZYWHSSA-N 425.917 0.751 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1840155998 HAWMIFRRAFCRNG-SIXWZSSISA-N 428.917 0.463 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1840648633 VWUPJHMZSWKEFN-GOSISDBHSA-N 430.288 0.659 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014268 RZACWDOADNEXFW-UHFFFAOYSA-N 428.323 0.148 50 20 ICGD COc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1843929415 SFFRRPWVHBPRAD-UHFFFAOYSA-N 440.280 0.964 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 1845447320 KUAWVPFOZXVHJJ-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1845744248 DCXGTNJCUPIASJ-SFHVURJKSA-N 426.521 0.329 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1846683405 MZQJIOBXADOPMR-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 9931076 OSFGNADOBATFCR-GFCCVEGCSA-N 439.519 0.588 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785675 JWLHYQNSALFZRS-AWEZNQCLSA-N 443.547 0.365 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 28876205 UVTNZEYBWYJQCY-DJJJIMSYSA-N 439.424 0.798 50 20 ICGD Cn1cc(-c2nc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cs2)cn1 108248896 IRBQFTYUAUBSJR-OAHLLOKOSA-N 443.441 0.688 50 20 ICGD COc1cc(F)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(F)c1 726765136 WTOIIRXBQGVIMZ-UHFFFAOYSA-N 449.457 0.847 50 20 ICGD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728385092 KDYVJSFODHZKEE-OAHLLOKOSA-N 440.481 0.890 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728890202 ZZFXDRKYIXIBQM-LBPRGKRZSA-N 438.535 0.269 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CCC2)c1 729296031 RNCMYLFTYBKXMK-UHFFFAOYSA-N 436.534 0.927 50 20 ICGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)COc1ccc(Br)cc1 730129669 ASUSSJIFMKZJJF-CYBMUJFWSA-N 428.331 0.794 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)ccc1OC(C)C 730827608 LPDDBRGYGPNLOA-UHFFFAOYSA-N 449.508 0.507 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732264336 SUNJNZGYPVKCIV-KKUMJFAQSA-N 442.538 0.009 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1F 734809288 KOAWFBVWNZXVRU-UHFFFAOYSA-N 433.417 0.900 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 734824968 PBNSFXILMYUWSS-UHFFFAOYSA-N 438.441 0.486 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 741074092 VQIOSSDNJFYKGR-CHWSQXEVSA-N 430.527 0.541 50 20 ICGD O=C(NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1csc(N2CCOCC2)n1 741207442 MTSHPCKQBSWSIQ-QGZVFWFLSA-N 431.518 0.642 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)Cc3ccccc3F)CC2)cn1 741275142 CCSTWBNSPKWTTI-UHFFFAOYSA-N 438.485 0.285 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 742037447 XKXYEXJNGRXLBI-DGCLKSJQSA-N 441.485 0.458 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2=S=C3CCCCCC3=C2)cc1 742483326 QPYFPURTGQRZJD-UHFFFAOYSA-N 435.527 0.689 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1 746095159 ZZSOVSRULMMEBK-MJGOQNOKSA-N 438.440 0.856 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)c1 748240842 ZCULGUHKUJDTPO-UHFFFAOYSA-N 432.477 0.326 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 748636805 NDGKOBSNJLXMME-CMPLNLGQSA-N 428.467 0.022 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1 751199198 SKVHHUAVSJNGOO-UHFFFAOYSA-N 425.239 0.555 50 20 ICGD CC(C)C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 751211281 POEJFPQOARDCLS-ZNMIVQPWSA-N 446.529 0.991 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2c1=O 753475340 RYSICOUJNKNZHM-MRXNPFEDSA-N 438.396 0.078 50 20 ICGD CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1 754538159 CNXBQMXBWQPETM-ATVHPVEESA-N 428.489 0.901 50 20 ICGD COc1cc(CN2CC[C@@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2)cc(OC)c1 756101527 MDISHZLNQCCIPO-DNVCBOLYSA-N 426.539 0.659 50 20 ICGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 756827770 XWXWWFZLDHMJBT-UHFFFAOYSA-N 430.421 0.987 50 20 ICGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757796901 NTLLIXMFQHAXQN-KBXCAEBGSA-N 435.550 0.898 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc1 759738436 LYVFNWPSRSWVIT-UHFFFAOYSA-N 438.437 0.785 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)c(OC)c1 761282158 LSGSENLAJDHEGO-UHFFFAOYSA-N 436.512 0.082 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc(C(=O)O)c1F 763279546 CXVABAILBSTZJX-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763738041 SDUXEZZFOGUYKH-UHFFFAOYSA-N 448.501 0.800 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cc3c(s1)CCC3)CC2 763783033 JZJXBSYQBBOHHE-UHFFFAOYSA-N 448.526 0.495 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnc1Br 763916197 CDIKTAFKWIGYAD-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccccc1Cn1cncn1 763996234 XSLHAAADKQXVBH-UHFFFAOYSA-N 432.238 0.817 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 764203579 AKXCBULJNWZOHJ-UHFFFAOYSA-N 442.192 0.433 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 764343743 RNIRRXLLCPUNMG-ASSNKEHSSA-N 444.492 0.096 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ncccc2C)c2ccccc2O1 764385586 CQSMFHGMBGUIHA-MRXNPFEDSA-N 425.445 0.471 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC(NC(=O)OC(C)(C)C)CC2)n(C)c1=O 764811917 DHRGPAMWBWHIGQ-UHFFFAOYSA-N 447.496 0.373 50 20 ICGD Cc1cccc(OCCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765722443 WPOSRFDDMPWNNW-UHFFFAOYSA-N 442.476 0.139 50 20 ICGD C[S@](=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765735058 HFRCDXMQEGRCBX-PMERELPUSA-N 428.514 0.643 50 20 ICGD N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 769063035 JKDWBSSZUAMORN-LLVKDONJSA-N 434.865 0.750 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)Cn2nc(C)cc2C)C1=O 771229177 CLARWKDBYWLANF-HXUWFJFHSA-N 428.449 0.123 50 20 ICGD COCc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 774621173 SFZIEOYFKBLPJE-UHFFFAOYSA-N 446.529 0.601 50 20 ICGD CN(NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776200898 CMZWCOHQRZFPGT-IBGZPJMESA-N 440.501 0.391 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 776537334 BPGLLQWSFYOEBP-LBPRGKRZSA-N 427.504 0.909 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 782830272 GORBFAXUBJDQHV-UHFFFAOYSA-N 428.470 0.981 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] 782894134 MHBJZBWBEGMVLN-UHFFFAOYSA-N 426.389 0.819 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 783426904 KTAARGRZONVACO-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1F 783427410 SQTMFHGNEUOBDY-KRWDZBQOSA-N 439.473 0.197 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 783999475 OXYDZEOJXPQHEH-UHFFFAOYSA-N 442.501 0.414 50 20 ICGD Cn1ccnc1Sc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002385 OGIPQGKQKNSNAQ-UHFFFAOYSA-N 442.457 0.680 50 20 ICGD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005078 YZHIUTKEUCLQBI-UHFFFAOYSA-N 438.849 0.704 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CN(C(=O)OC(C)(C)C)C1 784585963 CWCGWYVQZMHKAE-UHFFFAOYSA-N 425.511 0.916 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 785639321 CSFYKHFQMJTIHF-ROUUACIJSA-N 441.488 0.195 50 20 ICGD O=C(COC(=O)CC1CCC2(CC1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 788168362 FZKPKJNMNFYNBX-KRWDZBQOSA-N 434.445 0.840 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cccc(Cn2cncn2)c1 789809930 HGDUAEJIRGLJMP-OALUTQOASA-N 434.456 0.985 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 792813423 MZKBIKYNNCOJOW-IBGZPJMESA-N 434.449 0.080 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)CCN2CCN(Cc3ccccc3)CC2)n1 796277105 CTBKZBZVOLOEKC-UHFFFAOYSA-N 444.605 0.891 50 20 ICGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 800334135 GGZPLFJBSWLGBM-KRWDZBQOSA-N 438.960 0.688 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1OC 800725835 HHSRDVLTBYOWKV-GFCCVEGCSA-N 448.501 0.563 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnc2[nH]c(O)nc2c1 809725153 JYYOHUUSTSGJJR-UHFFFAOYSA-N 443.895 0.896 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(Cl)c1OCC(F)F 815693085 LFNSTIWIQAKPIR-VIFPVBQESA-N 442.810 0.924 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 818027536 YQMAKWXVBKWOOE-BOPFTXTBSA-N 448.418 0.827 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@@H]2c2cccc(C)c2)cc1OC 848950208 BRMOBYWASDVZRX-FQEVSTJZSA-N 426.473 0.946 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 915410454 VPRCFSJUFUUODI-UHFFFAOYSA-N 428.854 0.536 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 915789144 QRORHKMWTNAMJI-UHFFFAOYSA-N 440.865 0.187 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc1 916986704 HYOHHBPHJUERLP-UHFFFAOYSA-N 439.476 0.646 50 20 ICGD COCCCNC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 920862406 BVQFEAHBXJMJDP-ZDUSSCGKSA-N 448.929 0.778 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1116487593 HETMEOBWGOGOAP-AUUYWEPGSA-N 441.506 0.531 50 20 ICGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)n1cccn1 1318668012 OOLFQABPVFOKRH-CQSZACIVSA-N 436.513 0.697 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)ccnc3O)CC2)cc1 1320180132 HTYUBBOEVCUMNP-UHFFFAOYSA-N 447.517 0.172 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1OC 1322207145 HKIOGISTSIVNRI-ZDUSSCGKSA-N 440.474 0.223 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@@H]2CCC[C@H]2O)CC1 1322669243 JGOJYJCGJCECPC-QZTJIDSGSA-N 431.541 0.401 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777859686 CQEOOYHNYLAYIN-XMMPIXPASA-N 445.284 0.672 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)C(C)C)C2 1778091806 RGYSNHIZEKJVBC-UKJYDOHUSA-N 447.536 0.651 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780159116 VUHIGYXHFDSQPP-KXBFYZLASA-N 428.844 0.814 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1782175087 DDAAQXQOSZJRQF-SPYBWZPUSA-N 440.884 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nc1)C2 1782212036 DBRQOSRDKZDYRZ-IIBYNOLFSA-N 433.509 0.288 50 20 ICGD CC[S@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214177 HAMXGTIJYQOMIH-YRJQNMBXSA-N 444.598 0.032 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1783935137 ODHSJWJDWGZQAA-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCCc3cccnc3)CCO2)C1 1783937996 QTQVCMFGUVPPTG-QFIPXVFZSA-N 431.537 0.607 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1cnnn1 1788149270 GUHGDEKWYRWERZ-CQSZACIVSA-N 434.265 0.362 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)nn1C 1789401810 PZESSDLKEFCTRG-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3cccc3)[C@H]2C1 1791667018 OWMIXXMIUQUFQS-FHWLQOOXSA-N 433.553 0.621 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792784723 PYIFAZBEQYWPAG-CRWXNKLISA-N 433.933 0.684 50 20 ICGD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983407 KUHXSPMUOITPQM-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nc1 1794090551 QGABHPHJUHKMLW-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCBr)c(=O)nc1O 1795495766 URDCPAHDZKJITR-CLLJXQQHSA-N 427.299 0.681 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2)c1ccc(B(O)O)cc1 1795736887 PHJNAXFHRQRAFK-HVYFLLBWSA-N 434.301 0.373 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1796587636 IUOTXHBIHQNZPV-XPCVCDNBSA-N 429.315 0.516 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800164654 JWWFKLPBIRXNBF-GLPAEGGISA-N 432.525 0.050 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1800763150 QGVGKZWSFXJPSI-BLXSCJOCSA-N 425.327 0.888 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1F 1801014564 ZIUHBSUJOBDTBV-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1801038319 ODOXDPKEKPJEPO-RMEBNNNOSA-N 433.933 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082397 IRNAKMCGRZMQPT-VHDJAEIMSA-N 440.880 0.660 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803681817 WARREFHPFZDVTQ-GMBSWORKSA-N 440.504 0.682 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnsn2)[C@@H]1c1cccnc1 1804998727 UJUTWFBWIGJHRH-KSSFIOAISA-N 431.522 0.626 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805526072 MQJXDNAECPCURL-OAHLLOKOSA-N 440.884 0.587 50 20 ICGD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCCN1 1807365073 IPFLWDBJSQVKRO-JXHRLWIKSA-N 436.321 0.223 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366221 XSSDNMBEFYBFGA-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C[C@@](O)(C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(F)(F)F 1809969362 SFSRYFCRWPKLJS-GOSISDBHSA-N 442.243 0.525 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810308677 MMBWDEHBPCMQLW-UZLBHIALSA-N 440.504 0.826 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812310822 IMPWCZGJTYKEGU-OZOXKJRCSA-N 438.337 0.421 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343602 CTSZIJPRBFZBFJ-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815774274 ZSUVRKZDZNPSNC-ZMLRMANQSA-N 426.861 0.254 50 20 ICGD Cn1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)cn1 1816452741 YXUZLUJWOATCQR-INIZCTEOSA-N 437.464 0.761 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)c1cccc(B(O)O)c1 1817474084 LQOJKYBGWFUMKY-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819449066 KGNAKONUZSIFGC-BNLOLNQZSA-N 444.330 0.836 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](Cl)COC)CC2 1819473086 PESGAZPQKOYJTM-ATEUNZGCSA-N 434.902 0.373 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819586024 RRAXGGXGXWPCIV-ZFWWWQNUSA-N 433.513 0.466 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccnn3)sc2C1 1820402629 LOSJJINZGHHMNQ-JTQLQIEISA-N 438.473 0.471 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822434451 WRGIZQWGQZGHBH-SJORKVTESA-N 446.338 0.509 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)no1 1825178293 BGFHDXVWMHWHFH-LJQANCHMSA-N 440.309 0.534 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1ncc[nH]1)CC2 1826091938 FUVFWZIUGFLYFB-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD Cc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830724670 ALXPABFZMKVXFG-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)co1 1830731725 OSQNPQYKWDSXKL-BEFAXECRSA-N 444.988 0.495 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831444028 HILOKKDVJREPKT-GOSISDBHSA-N 448.614 0.201 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831643956 MDZUMDXBLOTLAH-ORAYPTAESA-N 440.884 0.652 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681061 NLKFHCYOCPOIAF-QFBILLFUSA-N 427.885 0.171 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832830773 JNMITNUGGCQPLX-DNVCBOLYSA-N 429.876 0.209 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3c(O)cc(O)cc3O)CC2)CC1)[C@@H](O)CCl 1833313978 XQOCDCAYNDVEOV-KRWDZBQOSA-N 441.912 0.588 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834798497 CAUQUYDWHVDHPM-SFHVURJKSA-N 435.280 0.207 50 20 ICGD CCO/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801465 LZUDDJHIIUTNER-XNTDXEJSSA-N 429.326 0.102 50 20 ICGD Cc1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835228511 ZZYXKUKRHOCMQJ-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c2c1CCC2 1835394709 PLLDXFGPQJNWAX-SFHVURJKSA-N 437.972 0.694 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835514057 YWOZJSJCHMSULQ-HUUCEWRRSA-N 427.354 0.306 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1835598721 SYFGSRFYQVHMQE-FSZRXZPDSA-N 434.375 0.990 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)[C@H](F)Cl)CC4)CC3)cc21 1837580047 SFTZLKMKYXZMGT-INIZCTEOSA-N 441.891 0.773 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1ccccc1=O 1837691056 GVBOBPLGEOEWAU-SCLBCKFNSA-N 432.304 0.669 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cn[nH]c3)CC2)CC1 1837919421 PYSBLBFSHGUJOA-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD Cc1cnoc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838517605 HUKOMUDSIXTWJG-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840152527 KZLMCGKNFDNUFN-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840154644 BGNJBODUTSXIQP-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190052 AQDCBMTWHQFEDD-QGZVFWFLSA-N 425.309 0.836 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840723049 LPIAFYRZZRIANW-XLIONFOSSA-N 439.896 0.315 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C1)CC2 1843015003 XSPHARFHPVGGHS-LJQANCHMSA-N 448.328 0.997 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844263261 KSSLHOXGXIORPM-ZIAGYGMSSA-N 429.477 0.091 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845219032 QUHKRDFDTXLKQR-LBPRGKRZSA-N 445.314 0.785 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)cc1 24781934 VJDQKMSJGXQJRA-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD NC(=O)[C@@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 727462802 YOKUVSPNSMKGGY-KRWDZBQOSA-N 436.465 0.308 50 20 ICGD CN(C)CC(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 728203586 YBTZQBHWVLGBOL-UHFFFAOYSA-N 438.532 0.889 50 20 ICGD COC(=O)C1CCC(NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 730131301 SDJZQJFDAJLHRF-UHFFFAOYSA-N 425.511 0.964 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 730203838 XYXVHXVQVOEEQT-QMMMGPOBSA-N 444.409 0.236 50 20 ICGD CCCCc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730595442 LEITXBBMDQYQNP-UHFFFAOYSA-N 436.563 0.932 50 20 ICGD C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnc2n1CCC2 730934455 IQIXUNJNQNWYMG-INIZCTEOSA-N 426.525 0.828 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737823607 UBSXUULMZTVMAU-MRXNPFEDSA-N 434.430 0.366 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)cc1OC 741144227 LJXWMBJLONBVKV-UHFFFAOYSA-N 440.478 0.422 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)cs1 744394932 NEGHPXDJEVIPBF-UHFFFAOYSA-N 448.530 0.091 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 746185185 INUJDYVGPHGBAA-HNNXBMFYSA-N 446.416 0.947 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746702411 VPFZMAUZBOFJFS-UHFFFAOYSA-N 443.485 0.595 50 20 ICGD Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 752598073 SIYLUZZCFVPHNR-HNNXBMFYSA-N 441.400 0.528 50 20 ICGD COC(=O)c1coc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 753949944 WBXLYSHKYPPXCN-UHFFFAOYSA-N 445.475 0.005 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 755514363 KMOIFRHKLFPHPA-UHFFFAOYSA-N 433.446 0.734 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1-n1cnnn1 756743245 QXHAAYUQLPBCLY-UHFFFAOYSA-N 431.434 0.541 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCCCC1 763466241 IMVUYFMFQIPNOB-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572867 UVJOPOWOINTJJB-INIZCTEOSA-N 428.401 0.469 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1 763812157 QGKSSUQKRMSHGC-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)c1 763818189 CIXCTEGERRCQAM-AWEZNQCLSA-N 427.486 0.734 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 763821955 TWBOTQXTOOBCON-UHFFFAOYSA-N 446.485 0.601 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917512 VMXHONMZKKGPRL-UHFFFAOYSA-N 447.415 0.262 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 764423593 BYLSQOUCEYNDCD-KRWDZBQOSA-N 426.429 0.118 50 20 ICGD CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812594 NCZGLAHKNVNXDI-UHFFFAOYSA-N 439.520 0.694 50 20 ICGD CCCOc1ccc2c(c1)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCO2 764815912 IQCWQKBGOALBQJ-UHFFFAOYSA-N 440.460 0.526 50 20 ICGD O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NNC(=O)[C@@H]1COc2ccccc2O1 765460903 SRXILEKZDZUYTA-ZDUSSCGKSA-N 426.389 0.370 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 765748713 FVSKDYGORYNXTL-UHFFFAOYSA-N 442.476 0.030 50 20 ICGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 766273884 AOGSIXNECNAJON-CVEARBPZSA-N 437.522 0.330 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2=O 768565953 NFMNAPLKYSYPIF-BTYIYWSLSA-N 430.461 0.865 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1OCC 771022349 YSUKSCXHOODUSY-UHFFFAOYSA-N 429.437 0.739 50 20 ICGD Cc1cc(-c2ncccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 782701790 CCBJJJVGTJBUSH-SNVBAGLBSA-N 425.492 0.142 50 20 ICGD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005172 SFFRBNNIENNMRM-UHFFFAOYSA-N 437.865 0.876 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784523106 GAYISKKYKQVGCL-HUUCEWRRSA-N 437.518 0.983 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C(N)=O 789729843 JWXHGWBUXKKEPW-UHFFFAOYSA-N 428.401 0.701 50 20 ICGD O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)NNC(=O)[C@H]1COc2ccccc2O1 792782379 FRLUDVLZKQEZCH-GCJKJVERSA-N 426.425 0.437 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC 796998166 AWUPIJYZWPUERY-UHFFFAOYSA-N 439.222 0.972 50 20 ICGD O=C(COCc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 805158449 QGVPEZCXRLMGEW-UHFFFAOYSA-N 434.474 0.080 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806978093 LXCFXAQAWKDFLF-ZETCQYMHSA-N 442.828 0.008 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2=O)c(OC)c1 807578167 YOUSKPWZGJPYCX-HNAYVOBHSA-N 440.522 0.186 50 20 ICGD CN(C)NC(=O)Nc1cccc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 807949569 JEIUVMMLQUYEAF-IBGZPJMESA-N 432.481 0.839 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C#N)n1C 809301744 YXZSYGYRXAELRC-NSIKDUERSA-N 427.442 0.941 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)c2)nn1 812979932 HQRYAMNIRNTKJC-UHFFFAOYSA-N 436.428 0.773 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 815565337 LBLWGZARGFUYLJ-UHFFFAOYSA-N 445.457 0.630 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)sc2c1CCC2 815692028 HTOMOPPHJKLFGA-JTQLQIEISA-N 446.489 0.354 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 815692615 WBSCKMPOGFLUOS-VIFPVBQESA-N 444.345 0.707 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)cc(Br)c1F 815693462 YCBVQTLUSSSBSH-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)C(C)C)c1 915905478 SHBJNXKMQCNTQM-UHFFFAOYSA-N 427.527 0.433 50 20 ICGD COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 920091146 WZLZFVQBMDGQEF-UONOGXRCSA-N 440.928 0.973 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc2c1CCC2 1318660226 JYGFRUZPORUNAF-UHFFFAOYSA-N 427.280 0.988 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1778354457 KVZKFHUPKKIWKX-RTBURBONSA-N 449.379 0.217 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)c1ccccc1)CCO2 1779029333 VXKGTWLKKNWGSW-PGRDOPGGSA-N 441.463 0.839 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1779029567 UKDCBKZEHKKPTB-IBGZPJMESA-N 433.465 0.643 50 20 ICGD O=C(CC[C@@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782769497 CCQOQVRXCMJXIJ-HCLVMJGWSA-N 444.337 0.311 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCSCC1 1783292304 OIPAZXHUCXBKRW-DENIHFKCSA-N 446.378 0.637 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCCO3)[C@H]2C1 1783609862 YMXRSPBRZPOPPV-IAKWRSPOSA-N 445.520 0.669 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937247 QUYVLUQWTFNZRP-GUYCJALGSA-N 433.347 0.363 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)c21 1784091366 PVDNUFTXZBOJBI-KSYCFECVSA-N 436.896 0.472 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784095870 MZIDJJJFDXUFQJ-FJIDUMEYSA-N 438.908 0.595 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984279 XUBAGHUTEQKYRM-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(F)c1 1786984736 CXDZMVLKRSABJP-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787499167 WCZXBEROHWTMGE-LHEWDLALSA-N 446.957 0.022 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1789871755 JBXOCXKRKXGFKL-CGEFAEBTSA-N 441.377 0.780 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)n(C)n1 1789922344 KSFWQUNWJOEJOY-WRZDFSGXSA-N 433.278 0.713 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790960656 PKNXJYHANQNXQR-QTVXIADOSA-N 430.343 0.830 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nc1 1791288049 PZVKYUICRKTTDX-IHPCNDPISA-N 445.564 0.675 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1792867165 ZHVSSBDATPKIME-AYDFFVQHSA-N 434.400 0.656 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871327 VBZWHYKDDFUSJW-IPVBOJNNSA-N 432.359 0.912 50 20 ICGD Cc1nn2cc(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)nc2s1 1793905572 ZMCJSKLECBNQRL-RBVVOMGSSA-N 447.565 0.653 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1794142640 WAIMGHORUQTBGI-KARBZBNUSA-N 444.960 0.480 50 20 ICGD Cc1ccc(C)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795741416 WGYAESAMXJSGEC-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1CSCSC1 1796188789 QWIOXDJXCGAMPY-RUGDWHBFSA-N 449.407 0.661 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796442059 PNFBXXKFYBMLGN-DHZFVDMESA-N 445.520 0.283 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2cc[nH]c2c1 1796815789 YACJPJXHZJWOEY-RMFSNUHRSA-N 433.273 0.365 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccsc1)C2 1797750469 GXFIABYMRGQGOA-CCWDJLKJSA-N 443.529 0.583 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc[nH]c3C1)C2 1798443484 ARZALQQYFBQJSL-XQLPTFJDSA-N 437.504 0.465 50 20 ICGD Cc1cc(C)n(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798443720 YWZYEFYMSFFSRP-BJWYYQGGSA-N 439.520 0.841 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494848 XIXGORRAKNTGEJ-VAQHHSBGSA-N 444.492 0.466 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c21 1799118403 YKFCXWQHICPBAG-BJWYYQGGSA-N 448.288 0.524 50 20 ICGD C[C@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1800090604 SCYMWGCWICUPOP-RMEBNNNOSA-N 430.933 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(OC)cc1)C2 1800973573 IKWRZBXIADNBMQ-CSHUHZATSA-N 426.897 0.917 50 20 ICGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803353370 XNXQVHVDZLKNMW-RHSMWYFYSA-N 442.476 0.019 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)nn1C 1805590040 NCCAMHMGTLDAOD-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805822004 LUEBOZZSMSHCLV-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1806192133 RQMATEBEJVNHNP-UHFFFAOYSA-N 437.585 0.753 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807364834 UGGOLZPGQQHKKR-RXVVDRJESA-N 432.289 0.733 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369154 BTXBTJRVYPICIQ-GHTZIAJQSA-N 439.321 0.896 50 20 ICGD CC(C)N(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361362 APAIKIPLOIMHND-HNNXBMFYSA-N 430.339 0.389 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815768879 FVQXATLGTMXXOA-QWHCGFSZSA-N 436.545 0.851 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)on1 1817474067 LAMLRKHEUAUGEC-GOSISDBHSA-N 437.265 0.935 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCOC1)CC2 1819800876 BWCQMQPRDKQPBP-VXGBXAGGSA-N 444.517 0.794 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(O)no1 1819872320 FZPYOJRWDUILDM-CQSZACIVSA-N 425.210 0.403 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824939041 IAAAHZMZQJMOLD-NRUUGDAUSA-N 435.955 0.886 50 20 ICGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1cccc(Cl)c1 1830723317 NFEVMFXNIXUGQW-JTDSTZFVSA-N 446.331 0.396 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725614 KXVCJUQYFKEYHN-HNAYVOBHSA-N 429.876 0.209 50 20 ICGD O=C(c1ccc2ncccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727827 HAQFJBYYFHTRBU-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830731857 QZWCFRFMYREARE-SYNHAJSKSA-N 425.913 0.543 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831657529 PIAWQZLAYWWAJX-GUYCJALGSA-N 431.946 0.761 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1834823490 XBRZDHICWJPHGS-QGZVFWFLSA-N 428.283 0.175 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835379295 NYVZGDAOKXDWCW-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736760 GRMJUTDDEMWQAS-UHFFFAOYSA-N 427.509 0.174 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718298 UTZHYHAKLHGIQO-CYBMUJFWSA-N 426.844 0.695 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837711526 LAEKJLAZRLOJNM-GOSISDBHSA-N 444.992 0.844 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nc1 1839200204 DIPWRFBTSGHSCK-WMLDXEAASA-N 446.273 0.851 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839200801 QHJGFJJWANSHGP-PBHICJAKSA-N 448.289 0.922 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669937 FINJJFXBXPLFDC-SCLBCKFNSA-N 428.873 0.035 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840151412 AOEZDNNZFDANOG-ZWOKBUDYSA-N 426.897 0.430 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201929 QRIDVLXOCZCYAM-WBMJQRKESA-N 443.850 0.529 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1 1840401745 BUDCBWSRYHPTPV-CRAIPNDOSA-N 443.342 0.994 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1844264524 BUYNROGMOQEQDF-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847855159 AUHHUVUZUXYSFS-SZMVWBNQSA-N 444.536 0.046 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=S)NC(C)(C)C)c2)CC1 14895080 XTNGHAWXCHBKJK-UHFFFAOYSA-N 441.579 0.447 50 20 ICGD CCn1nc(C(=O)NNC(=O)CS(=O)(=O)NC2CCC(C)CC2)c2ccccc2c1=O 116704092 WFFFTRAXBUOZKQ-UHFFFAOYSA-N 449.533 0.676 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C(=O)OC)s1 726520106 XZSQOKYFSXCHAP-UHFFFAOYSA-N 442.427 0.673 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727364545 XOFBAJIMWFUATP-CQSZACIVSA-N 428.536 0.400 50 20 ICGD O=C(COC(=O)C[C@H]1C(=O)Nc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 728338627 LHGNJOOOZWSBMN-DYVFJYSZSA-N 425.397 0.643 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 728931705 FYDWBTBYLGSHLL-HNNXBMFYSA-N 439.944 0.260 50 20 ICGD CCOc1cccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1OC(F)F 730571758 SVFAHIWDXCSVCG-UHFFFAOYSA-N 443.432 0.722 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 731500929 UYADJPXDIWEJAD-UHFFFAOYSA-N 439.519 0.821 50 20 ICGD O=C(COC(=O)CN1C(=O)CCc2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 732374432 OGKOZUKCZRRCTM-UHFFFAOYSA-N 426.385 0.878 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC 735874717 UBUVNXSFOOTLAD-CQSZACIVSA-N 444.448 0.954 50 20 ICGD O=C(COC(=O)CCc1nc(-c2ccoc2)no1)NNC(=O)[C@H]1COc2ccccc2O1 740286925 ZUQVLIKYIWDXAR-OAHLLOKOSA-N 442.384 0.793 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1N1CCNC1=O 742045559 BIQMPZATQNFWDG-UHFFFAOYSA-N 432.458 0.703 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742472783 RBJIMBKSCNNMGB-UDVXPWBQSA-N 447.444 0.026 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 746124003 XCIRLABNZXMTOZ-ZDUSSCGKSA-N 438.466 0.692 50 20 ICGD COc1cc(C)nc(NNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 746765378 QFOWXRJYBNHMJT-HNNXBMFYSA-N 443.512 0.715 50 20 ICGD Cc1c(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cccc1[N+](=O)[O-] 748670391 ICIGMVIRBBGCAY-UHFFFAOYSA-N 433.446 0.781 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 748688863 BZXFDSUSJRZSOA-UHFFFAOYSA-N 445.548 0.333 50 20 ICGD CC(C)NC(=O)C(=O)NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 750934390 VLAAHHAPJUEGQS-UHFFFAOYSA-N 435.238 0.724 50 20 ICGD COc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 751618043 OFYORILVSZTUGA-LBPRGKRZSA-N 442.563 0.624 50 20 ICGD Cc1ccc(C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 751621558 XUWWZHCMHLXNNL-ZDUSSCGKSA-N 426.564 0.923 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752156091 RVNRDOTUUNSTGC-UHFFFAOYSA-N 449.898 0.033 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 752993380 ZJPRVFGPKUWHQN-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc([S@](C)=O)cc2)c1 753052174 UCDVRUQVECKZSD-NDEPHWFRSA-N 438.531 0.819 50 20 ICGD COC(=O)c1cc(Cl)ccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 753776913 ALSYVFVAHFTEQF-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cn1ccc3ccccc31)OCO2 753840129 HCDOOWDPBRVREM-UHFFFAOYSA-N 438.396 0.943 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1ccncc1 755440626 FPUDURNMXVHFDW-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD O=C(COC(=O)CNC(=O)c1cccc(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 757691411 UNBJMNHZWJTCLX-MRXNPFEDSA-N 431.376 0.086 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 763528663 CUHPVPAYPPDJKM-UHFFFAOYSA-N 426.429 0.793 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 763551898 UDGSAXKZVUUVCY-UHFFFAOYSA-N 445.819 0.998 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC 763572358 QTJBTFZMBHHBHY-SFHVURJKSA-N 445.428 0.646 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572658 NITDLNBMTWQFNW-QGZVFWFLSA-N 433.392 0.777 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCO3)c1 763718895 RAHKZSHCIRTWOA-UHFFFAOYSA-N 434.430 0.065 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763864911 MEPLPYGSHLWYDB-SECBINFHSA-N 442.400 0.166 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763866283 VIJZNJZKWBBGQK-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 763918629 HSTGKTMIWXWZIW-UHFFFAOYSA-N 433.392 0.958 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(Br)c1 763998578 QACWWKZWTVQXNY-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C(=O)N(C)C 764004683 QKHLNOKBYVZROY-UHFFFAOYSA-N 426.429 0.868 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)cc1C(=O)OC 764092762 MNLZEVINMPUSQR-UHFFFAOYSA-N 434.792 0.708 50 20 ICGD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)CN(C)C 764203895 LNTXKLBHEYNSLD-QGZVFWFLSA-N 427.509 0.286 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F 764228076 USLBZBRHINJLIJ-SSDOTTSWSA-N 442.441 0.207 50 20 ICGD N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)cc1 764427445 ZXQZPDVUNBVMRO-LJQANCHMSA-N 438.440 0.833 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)CNC(=O)c1cccnc1 765473299 WKZUOQIVOYAFNM-OAHLLOKOSA-N 431.493 0.996 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(-c3ccccc3)n2)n(C)c1=O 765725959 WXIKKLNLWFAWIZ-UHFFFAOYSA-N 439.457 0.018 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)nc21 770979069 CJNXOCGBYBMQOI-CQSZACIVSA-N 445.505 0.754 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)cc1 774324868 ANLOYZMQUPBRJP-ZDUSSCGKSA-N 436.490 0.561 50 20 ICGD O=C(NNc1ncccn1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 775470474 LATBZVKMSVVSTO-LBPRGKRZSA-N 426.480 0.091 50 20 ICGD Cc1sc2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c(=O)n2c1C 775952828 ZBTRGXDTVXENDP-UHFFFAOYSA-N 425.426 0.863 50 20 ICGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 777905568 MKSSJDQEHNSYFX-CQSZACIVSA-N 430.552 0.682 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 782118664 YLMQGJFPOBMQOZ-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)NCC(F)(F)F 798313509 IQZIQBWMQHSKJD-LLVKDONJSA-N 428.458 0.979 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(OC)c(OC)c1 799519870 XZBHWOYQEQMMLJ-UHFFFAOYSA-N 429.476 0.235 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(=O)cc1C 806284854 RCJDFZJWEDFDLU-UHFFFAOYSA-N 436.490 0.128 50 20 ICGD CCOC(=O)C(C)(C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 806871916 BYYBOPURJXBXII-UHFFFAOYSA-N 427.527 0.440 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)ccc1F 806975211 QRMVTLXUIARMPO-UHFFFAOYSA-N 447.448 0.544 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)c2cnccn2)c1 806976776 LXYZJFYTJBRDPM-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNc3nccnc3Cl)c3ccccc32)N1 807009795 RZZYJWCDEKMXSM-NEPJUHHUSA-N 430.852 0.609 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 807023606 BHTGDTYFXGRNFN-QGZVFWFLSA-N 434.474 0.406 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]nc2-c2ccccn2)CC1 810414568 XCBOPXBPFFNQSZ-UHFFFAOYSA-N 442.505 0.560 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)nc3)c2)nn1 812979609 YFKQSCKACWSCCX-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(C)c1S(=O)(=O)NC1CC1 814646415 HYCVPYBEJAKTKC-CYBMUJFWSA-N 447.521 0.751 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnc(N(C)C)nc3)CC2)cc1 814877778 ZMNXPRUYGBMJOG-UHFFFAOYSA-N 445.549 0.308 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccnc2-c2cnn(C)c2)c1 816810232 DYEOBVALYMTPLW-UHFFFAOYSA-N 428.474 0.807 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 825549149 KZBUKNYKPAZQHP-UHFFFAOYSA-N 426.520 0.722 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)s1 849194028 SIAXCISQNIZCFL-OLZOCXBDSA-N 449.576 0.039 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c2ccccc2c1=O 879508652 QPUXIGFBFTYIFI-UHFFFAOYSA-N 447.411 0.154 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 912920133 VSZDGOWIVWQMBV-IYBDPMFKSA-N 448.545 0.765 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 912952919 HMJTYHRWICAUEL-UHFFFAOYSA-N 446.445 0.861 50 20 ICGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)Cn1nc(C)cc1C 919809925 KFMSGUBTFSJZOS-GFCCVEGCSA-N 438.466 0.700 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1csc(N2CCOCC2)n1 920287769 KGQYUKASZJHHTH-KRWDZBQOSA-N 443.529 0.974 50 20 ICGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 921022871 QENWSVNQGMZRSH-HOCLYGCPSA-N 425.507 0.816 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCO[C@]2(CCSC2)C1 1324058889 CZLIOSDVUQENHD-YVEFUNNKSA-N 427.552 0.978 50 20 ICGD Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Br)C3)n1 1779241487 PJUQZTWRFRCIDH-CKUKBARFSA-N 447.309 0.524 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780956574 ZIFJEEQEDGZYLD-UTKZUKDTSA-N 436.940 0.728 50 20 ICGD CO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967933 DUYKOVFNHUVKPK-VGSWGCGISA-N 447.536 0.197 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582834 OBNIWFGNEFQQBY-OAQYLSRUSA-N 448.206 0.541 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782140412 KKWQYSZKLOCBGO-VQPPSCEASA-N 430.310 0.109 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782678586 CAARFQKSBXLIQC-ZBEGNZNMSA-N 429.271 0.174 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]3C2)n1 1783965345 JFZDXLVZWJFCTG-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1783970153 RVUZIARJVDLKMF-UHXUPSOCSA-N 427.299 0.807 50 20 ICGD O=C(CCc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784736299 BVKDWCNWVITTPA-QHCPKHFHSA-N 440.280 0.582 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 1787508064 BLTYANKBDWSBJZ-WZAKMNGYSA-N 445.520 0.527 50 20 ICGD CO[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccccc1 1791289069 HSHJWPDBYLBFPS-ZVVDCOBXSA-N 446.548 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3[nH]ccc3s1)C2)c1ccc(B(O)O)cc1 1795734668 YFKWRINRQHMQKS-HBCWATKFSA-N 439.302 0.426 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740500 CETXTTQJGPGNSD-JWVYWZTKSA-N 438.289 0.037 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1796187927 MGRWRNDXXJAVKM-FCGDIQPGSA-N 429.326 0.169 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189891 BIVZANIYPDZVMU-USYVTKNRSA-N 440.305 0.374 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1C1CC1)C2 1796439548 KGQBTXVRMAJWRR-ISAPEBSYSA-N 427.505 0.756 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2[nH]ccc2s1 1797109366 NMIPXXJPVCXTLB-HBCWATKFSA-N 439.302 0.426 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440454 SNWUXBQHNPJTJS-QDMKHBRRSA-N 441.492 0.094 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccc(F)c12 1800125683 RCMBNLCGRRBVSL-HBCWATKFSA-N 446.483 0.050 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800636930 DYFGIJNIDUEYDX-RDDKANTKSA-N 425.323 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 1800980974 IXKIWOWIJZZLRL-UXXRCYHCSA-N 433.933 0.743 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1803017284 FNWGSWJHPYJKBQ-OSAQELSMSA-N 426.315 0.787 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@H]1c1cccnc1)[C@@H](O)CCl 1803139033 JDUYFTCXDQCIOZ-BPUTZDHNSA-N 444.879 0.749 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805532957 NUQVDRZJCLAQIP-RXVVDRJESA-N 448.288 1.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CCc3cnc[nH]3)C2)CC1 1806942581 NMGDKWQKKQEJLV-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD O=C(c1cnnc(Cl)c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975278 ZFQWOPCUNCMQBM-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3[nH]nc4ccncc34)C2)CC1 1810659538 SYQPDKSZPDELBQ-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1813070896 LYDQLXNVWDFWTO-HTAPYJJXSA-N 441.536 0.816 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815104049 XWIYMXRMYYRICB-SUMWQHHRSA-N 441.297 0.310 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CC(=O)C1)CC2 1819801465 MRLIWPZAWQIEDH-SNVBAGLBSA-N 428.474 0.347 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822371341 TXZFVPNIWFIPIX-UKRRQHHQSA-N 449.899 0.968 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)c1ccc(B(O)O)cc1 1826351723 QPKOGISBJGPSJI-SIWZUTFBSA-N 443.334 0.600 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830359846 WOKOFBNDRATUKF-FQEVSTJZSA-N 428.961 0.990 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725529 JGYSDSXUIWIMIL-DYESRHJHSA-N 440.924 0.738 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831829267 YJQRWQJDZJBDLH-ZNMIVQPWSA-N 428.917 0.458 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871293 REATWNXCLAXTIP-KRWDZBQOSA-N 444.598 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSCC(=O)O)CC1 1831874374 HUZRFVRMODDWLR-MRXNPFEDSA-N 442.582 0.797 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994978 RBJQLTFITVPHOP-UGSOOPFHSA-N 449.342 0.958 50 20 ICGD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834077817 BSOQXAVRPSGQJA-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440368 NKIKTXSVDQBWPX-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2cn[nH]c2cn1 1835639261 KZBPZBTVYYNERY-SFHVURJKSA-N 434.928 0.743 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055525 PEKXTKCQTOYTOB-KDOFPFPSSA-N 443.342 0.450 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cc1 1836720545 WMCMLFNYGVAXEB-SFHVURJKSA-N 437.924 0.997 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837715924 RSQKJDILVJXPLM-HXUWFJFHSA-N 436.585 0.751 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837965716 DNXGRSNLLGGNDH-QGZVFWFLSA-N 431.283 0.627 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839197720 GOSWBMHKMZPZOJ-BBRMVZONSA-N 433.278 0.489 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199037 HORJSOJGFHTJDQ-GXFFZTMASA-N 447.204 0.243 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1O 1839473139 IIYSWUOEFCWZMH-APWZRJJASA-N 443.859 0.955 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839964230 KLZKOIHYPUWYEV-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840152530 KZLMCGKNFDNUFN-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840153179 GWUDTNPWEDZCNZ-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840248437 HHPIMAOZJNGRNL-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840437535 RGFWATVINSASNK-GOSISDBHSA-N 433.336 0.840 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCc2cnc3[nH]ccc3c2)C1 1846254464 MNTITNHSSVPASA-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cn3cncn3)cc2)cc1OC 14148174 QORRLPPVECTROT-UHFFFAOYSA-N 439.428 0.962 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 727800104 MIXDRIGSGZMEQB-UHFFFAOYSA-N 437.172 0.832 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 728177526 AUEOGEXJFYSEGG-GDBMZVCRSA-N 447.554 0.719 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cnc21 728503055 YTJUWYIJTKTXIE-UHFFFAOYSA-N 431.474 0.955 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(F)ccc2Br)cn1 728549435 LNTOZTFNNGDYDP-UHFFFAOYSA-N 434.247 0.061 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CCc3ccccc3O)cc2S1(=O)=O 730034079 QSOKRWDRZOWODG-UHFFFAOYSA-N 447.469 0.577 50 20 ICGD O=C(CCCCCNC(=O)NC1CCCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 734428339 OUCLKSZZOPKLME-OAHLLOKOSA-N 431.559 0.696 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1S(=O)(=O)N1CCCCC1 743250898 IWDGWMXCSBLNEO-UHFFFAOYSA-N 439.519 0.583 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)NC(C)C)CC2=O)cc1 745147457 ZUZUNUXWYJUNIR-CQSZACIVSA-N 439.538 0.809 50 20 ICGD Cc1ccc(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 746034424 XPZAIECDTWQHBL-UHFFFAOYSA-N 431.470 0.660 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)nn1-c1n[nH]c(C(F)(F)F)n1 747201380 AZJLGLCCXAPLEE-UHFFFAOYSA-N 438.326 0.559 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc[nH]c1C)c(=O)n2Cc1ccccc1 749887912 MOEIWLRFTMIQPY-UHFFFAOYSA-N 449.471 0.526 50 20 ICGD Cc1cc(CC(=O)NN=C2C(=O)N(CC(=O)N(C)C)c3ccc(Br)cc32)n[nH]1 750931931 DYEKRIPBHIJIIT-UHFFFAOYSA-N 447.293 0.978 50 20 ICGD O=C(CO)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 753439250 WWEFZQQNSCRCTJ-QMMMGPOBSA-N 426.314 0.194 50 20 ICGD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758059054 ZSNLPFYSQBWFAL-FRRDWIJNSA-N 441.510 0.776 50 20 ICGD Cc1csc2ncc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c(=O)n12 758513203 PWLNAPZYEILUCY-UHFFFAOYSA-N 435.325 0.504 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)Nc1ccccn1 758829108 BMFIGEUFLBULQE-OAHLLOKOSA-N 425.445 0.485 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)cn3)n[nH]2)c1 763176436 JDYZFSVQDOBEHT-UHFFFAOYSA-N 431.478 0.167 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763467913 JHHMPJHFLVTBDF-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD Cn1ccnc1-c1csc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 763569982 CTLIJYZMYNNPLK-ZDUSSCGKSA-N 428.430 0.470 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cccc1-n1cnnn1 763852573 YNKKQEIENZSQRC-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(Cc2ccccc2)n1 763922674 YNSLBELJUYHPBD-UHFFFAOYSA-N 445.443 0.615 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C(=O)OC(C)(C)C 764003056 XEOVLQPXHCKVDB-LBPRGKRZSA-N 439.490 0.471 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC 764401924 ZMSPPOZLWJZKPL-SNVBAGLBSA-N 432.271 0.904 50 20 ICGD COC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)n1 765749751 SOYVQUVLPPUPJU-UHFFFAOYSA-N 425.489 0.755 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3nnc4ccccc4c3=O)CC2)cc1 765756461 XKSJVRIHQGFCBG-UHFFFAOYSA-N 449.515 0.065 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)nn(C)c3C)CC2)cc1 766635785 DZVWSMUMCQCHIF-UHFFFAOYSA-N 448.549 0.113 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896571 AEKINVRWHGYSBF-HNNXBMFYSA-N 444.941 0.698 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772898263 OQFKNFONSXPVMX-UHFFFAOYSA-N 428.832 0.790 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F 779837924 ZJKNGSGWCPVYSX-UHFFFAOYSA-N 427.813 0.931 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 782053509 OMQMOTRPYUHZEI-GOSISDBHSA-N 433.534 0.646 50 20 ICGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1nn(CCCC)c(=O)c2ccccc12 783307978 DFJZKTVPYUDZJZ-UHFFFAOYSA-N 435.506 0.741 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003633 JUVRCDSYFZBYHD-UHFFFAOYSA-N 445.457 0.161 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccnc1N1CCCCC1 784005133 QFQWBPSGZXRDNG-UHFFFAOYSA-N 430.490 0.649 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c(OC)c1 789734071 AFGFOGRISVTXOU-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 790063627 PKJPVNIEKWXBIX-UHFFFAOYSA-N 446.526 0.629 50 20 ICGD CSSCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 793078731 QOAPYOMUEYZHJE-UHFFFAOYSA-N 439.607 0.963 50 20 ICGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2C1 797369311 SGMSUAQHWAKAOR-GOSISDBHSA-N 440.456 0.813 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)NCCc1cccs1)OCC(=O)N2 797430015 JYDLYAQTLHEBIN-UHFFFAOYSA-N 426.476 0.823 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 798304519 YCSQXANPBLQART-AWEZNQCLSA-N 427.508 0.819 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 802032158 OMWOJKVJWCPRRE-HNNXBMFYSA-N 434.434 0.418 50 20 ICGD Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2=O 804917239 HHLWHLOSLXJTJQ-UHFFFAOYSA-N 436.377 0.648 50 20 ICGD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 805406567 URZGJEJDZGCSKS-OAHLLOKOSA-N 441.510 0.057 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[S@](=O)C[C@H]1c1cnn(C)c1 805751977 UOMLPFYXSMUWPO-WNNBVUDTSA-N 439.925 0.649 50 20 ICGD COc1cc(C(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)ccc1OC(C)C 807546387 LGNXVOPXDZBZLV-UHFFFAOYSA-N 433.465 0.947 50 20 ICGD Cn1nc(SCC(=O)NN=CC2(CNC(=O)OC(C)(C)C)CCC2)c(=O)n(C)c1=O 814784705 HUSBIHBVAPQOPI-UHFFFAOYSA-N 440.526 0.368 50 20 ICGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815692173 LFICUMZXDPKZQA-SECBINFHSA-N 437.254 0.398 50 20 ICGD NS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)C1 816806196 VNSKBXUJGZGTRL-INIZCTEOSA-N 432.502 0.795 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)cc1OC 844261154 DTNQXEMHISKCNP-LBPRGKRZSA-N 437.478 0.733 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 913055313 PWDGYDCBZHHKLM-QGZVFWFLSA-N 435.458 0.212 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 913455261 WJAKCIBCBKQRFZ-UHFFFAOYSA-N 430.442 0.266 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccccc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 914532169 CGOYRDUQDLLJQI-QGZVFWFLSA-N 431.514 0.999 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnn(C)c1)c(=O)n2Cc1ccccc1 917211874 MORPUBMRDFWQPJ-UHFFFAOYSA-N 434.460 0.312 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 918223832 NWYPUZMYTZTRIZ-UHFFFAOYSA-N 425.445 0.935 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C 919885775 RCCILIRSLPOZQL-AWEZNQCLSA-N 446.551 0.157 50 20 ICGD O=C(O)COc1ccc(Br)cc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920384506 MEXUQEAGOIBMJK-LLVKDONJSA-N 434.268 0.733 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]c(Br)c1 1116293048 VPEXHPGWNWFVTH-UHFFFAOYSA-N 434.294 0.996 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)c2ccccc2c1=O 1319740348 LTHOPCUEOWBJBB-LBPRGKRZSA-N 436.490 0.160 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1778960992 IHAUUUCHKZXRBM-XNJGSVPQSA-N 433.347 0.697 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 1780714458 KGEWSLROBKCJLO-NRFANRHFSA-N 428.681 0.777 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782209436 PHLYMOHZJAZTAF-VGOFRKELSA-N 447.536 0.591 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783536618 LWOAWSJOWTVHSM-BDJLRTHQSA-N 429.271 0.174 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1783792614 LOOHCSIDUDGMSR-XMMPIXPASA-N 448.328 0.932 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1783940173 VEABXKZBANTTQO-JOCHJYFZSA-N 443.504 0.140 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784617292 CVOLMDZAZNLZQC-IECFSIQFSA-N 446.928 0.868 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc(C)c1O 1784994180 WPXXTAFXDDLCFT-HSZRJFAPSA-N 438.289 0.446 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785249789 MFMXZVLHBBEALV-OBJOEFQTSA-N 431.320 0.918 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)s1 1785971004 CRGYOOSHAHLLKJ-BPUTZDHNSA-N 448.737 0.988 50 20 ICGD Cc1cc(C)nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984556 SNBGXVBTMTWORL-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3C)C[C@@H]21 1787509196 ZDODMINORMXTFY-SKIHNHESSA-N 441.492 0.445 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21 1791293007 FAZMKLRCERHURR-LNLFQRSKSA-N 432.521 0.287 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792241977 NVBVMFAPYGYTNC-RVMXOQNASA-N 449.982 0.080 50 20 ICGD Cc1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc2[nH]1 1795740564 HWYOSMUQMPZDIS-HATOLVCRSA-N 447.300 0.673 50 20 ICGD Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1799505012 NZQNTFCOPLNINR-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2o1 1799908154 UWABTFANEZJPEC-HBCWATKFSA-N 429.477 0.404 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(B(O)O)cc1 1800349066 FVHGFCIBCKVUED-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1804853502 GOMSEVPRYFOTLE-HJWRWDBZSA-N 439.321 0.070 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810967547 KHJFTLLKTRQIPR-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1813030580 DOMIHSUVJCIFMB-BFYDXBDKSA-N 441.985 0.825 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813073557 JCNPZMYZZROUAY-VGOFRKELSA-N 442.520 1.000 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075263 ZRHZOSYNMHYBSA-MMOPVJDHSA-N 432.569 0.801 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1820162253 GFCUIPVVFUFKHH-MNOVXSKESA-N 427.603 0.499 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826513219 LUFIQPUTRJRERB-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829536893 YETXCABZHROCPS-BEFAXECRSA-N 427.885 0.150 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730573 BNKPTACBJNLVKT-YXJHDRRASA-N 436.958 0.302 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731328 KQBYLNCJALSXFT-JXFKEZNVSA-N 434.880 0.300 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1831401984 KWFSYKKNEJOREV-VKJFTORMSA-N 431.327 0.655 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833276679 YOTDGFBCFLKTNO-BBRMVZONSA-N 432.246 0.081 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834422714 ZRFHNXLOYZMQEW-CYBMUJFWSA-N 431.375 0.855 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609452 RDFKBGMJCPRBCP-KSSFIOAISA-N 443.294 0.883 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1834822445 NPDZLXCHTYJOIN-GOSISDBHSA-N 426.311 0.866 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836239160 AAWBNBXZONTCMD-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708560 LJUDNOLUPDKTMG-APWZRJJASA-N 429.590 0.209 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711699 NTTPXCGHEKUBHV-SFHVURJKSA-N 442.614 0.955 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837717935 RVKMXMIXEQRUIE-NRFANRHFSA-N 449.580 0.707 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198586 JNNQAOSBSQUCDM-WMLDXEAASA-N 447.305 0.797 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1839895841 YFHNWPBJMOGDPK-SUMWQHHRSA-N 447.326 0.427 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839963915 AEZXTZQHQBBLPB-WMLDXEAASA-N 429.315 0.582 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030718 UTKGDPMAPGKVQT-KDOFPFPSSA-N 448.358 0.533 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC=CCC1)CCO2 1840558243 SHYXCNLOZQVOIG-FGZHOGPDSA-N 436.553 0.562 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CN1Cc1cccs1 1841977509 AXUIYOHKARRGNJ-HIFRSBDPSA-N 425.938 0.900 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305452 MDLQGRKMPJXMNF-HNNXBMFYSA-N 449.939 0.479 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010553 BHKNTEXRPJWPDN-UHFFFAOYSA-N 449.272 0.182 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)C2 1843416221 MNKRUEPXRXBJAB-QBTQTZHHSA-N 426.521 0.664 50 20 ICGD CC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2ccc(B(O)O)cc2)NC(=O)OC(C)(C)C)C1 1843428711 LYTCZKWSAXANMT-SFHVURJKSA-N 445.325 0.026 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846175331 SGGONVBQYOTWPJ-RYUDHWBXSA-N 434.331 0.859 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848100142 RGYJNKAZVGXECJ-RFGFWPKPSA-N 445.948 0.767 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N(C)C 10790499 CYJCRQRQYNXGLQ-UHFFFAOYSA-N 435.458 0.564 50 20 ICGD Cc1cc(C)n2nc(NC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)nc2n1 725852750 FDBRIYFDCIUULY-UHFFFAOYSA-N 431.482 0.809 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCNC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 732257187 FIHBHBUFUBDJHL-UHFFFAOYSA-N 448.483 0.853 50 20 ICGD O=C(COC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732325155 XSWIVBBUASIUMW-WDEREUQCSA-N 432.311 0.356 50 20 ICGD COc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1S(=O)(=O)N(C)C 733263507 GSTHJCOHMNBWAN-UHFFFAOYSA-N 431.474 0.949 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745874915 IOIKOHVYSDATME-CQSZACIVSA-N 439.419 0.736 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746598009 CKHBRBKKCQHVQO-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)N1CCCC1 748247108 ULWYRCFCRHVIPG-UHFFFAOYSA-N 442.497 0.821 50 20 ICGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 749331042 COAHJKOMJQTRBI-UHFFFAOYSA-N 441.469 0.667 50 20 ICGD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)CNC(=O)c1ccco1 751203956 AWDFJQHLQSTSQZ-UHFFFAOYSA-N 443.485 0.897 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 751206468 HKHQXQVKBHLYGN-CYBMUJFWSA-N 440.412 0.246 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 751206553 OAMWYYYSKXSHPQ-UHFFFAOYSA-N 448.482 0.246 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NNC(=O)CO 753444487 MJHAKJIZSWECCM-SNVBAGLBSA-N 430.335 0.533 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 755362457 UJTLRDIYFXWNQV-UHFFFAOYSA-N 442.885 0.479 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 758046890 USOLBGYESVCKGR-GFCCVEGCSA-N 435.462 0.906 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 763785543 HOPXLSCNIRSGJD-UHFFFAOYSA-N 437.412 0.587 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 763919436 SSMXLQQUJUFGJC-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(COCc2ccccc2)cc1 763999354 VZDRCPSAAVYRLO-KRWDZBQOSA-N 445.497 0.924 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)C3CCCC3)cc2)CC1 764066157 INDPTNXBNUVSOJ-UHFFFAOYSA-N 429.521 0.669 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)ccc21 764280698 RLLYUYDAFPBUNG-UHFFFAOYSA-N 426.429 0.856 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cc1 765756419 WJHBIGGQSJEDPJ-QGZVFWFLSA-N 427.505 0.672 50 20 ICGD CC(C)(C)OC(=O)NCc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccn1 766155785 YAWMLCOYCHMQAB-UHFFFAOYSA-N 428.449 0.692 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)cc1 766647376 DYRZBJLDNYMZEI-SFHVURJKSA-N 439.520 0.036 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 772035455 GJUOAOALZOWSGD-LLVKDONJSA-N 437.474 0.732 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1cc[nH]n1 772122478 KYFWXAGMAPLSEB-UHFFFAOYSA-N 439.432 0.853 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 772197014 UGKHNVQYRWKKDO-UHFFFAOYSA-N 430.914 0.165 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1)NC1CCCC1 772891865 OLTKYBRTJUBIPU-UHFFFAOYSA-N 446.895 0.673 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)ccc1OC(C)C 774327506 QKHWTRUGWRYKJV-UHFFFAOYSA-N 436.490 0.804 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2C[C@@H](OCc3ccccc3)C2(C)C)n(C)c1=O 776777212 RNHHGLOAVVIZCY-MRXNPFEDSA-N 438.488 0.921 50 20 ICGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)COc2ccc(Br)cc2)C1 777737985 KCDKNIRZYQIPCA-UHFFFAOYSA-N 435.300 0.050 50 20 ICGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc1F 778440680 AQJHCGTVOUUKCI-UHFFFAOYSA-N 432.474 0.798 50 20 ICGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 779380092 LGTDICIYSORDFX-AWEZNQCLSA-N 440.570 0.402 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cn3c(n2)CCCC3)c2ccccc2c1=O 779828893 ADNIMMNHXLHJGP-UHFFFAOYSA-N 430.490 0.963 50 20 ICGD COCc1noc(CN2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)n1 780946107 FBZVSKHJXVUBFB-UHFFFAOYSA-N 442.274 0.479 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1ccc(OC)cn1 782148065 BNHLQAWYWQVHEP-UHFFFAOYSA-N 429.433 0.795 50 20 ICGD C[C@H]1CN(S(=O)(=O)CBr)[C@H](C)CN1S(=O)(=O)CBr 782474285 OEBPYSHZXRPOKM-OCAPTIKFSA-N 428.168 0.745 50 20 ICGD COCCc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)n(C)n1 783409905 ZKPIGFRHMCBZAR-UHFFFAOYSA-N 449.411 0.984 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783428858 YEYQWLWVOYAXQT-LJQANCHMSA-N 425.507 0.707 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 785721084 ULVSRJWUOLVEGF-QZTJIDSGSA-N 429.473 0.740 50 20 ICGD COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)n2)c1C 789731881 JEIKKIIDBLCSJQ-UHFFFAOYSA-N 441.448 0.956 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1F 806974020 PWFPKHGVUMPKNS-UHFFFAOYSA-N 437.453 0.200 50 20 ICGD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 808086936 KINAICJQKXFSCG-UHFFFAOYSA-N 444.853 0.640 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 825614960 DDZXINLTDSHOFP-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C 827931985 JDLBMLBRSQGHFI-QNGOZBTKSA-N 443.548 0.661 50 20 ICGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 915422115 NJIVZSBFRGUBAG-UHFFFAOYSA-N 429.458 0.970 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)CN1CCCS1(=O)=O 916033361 UXLJSFPBQFPLHW-UHFFFAOYSA-N 433.486 0.827 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 916517209 YXEWCARNORKXCI-UHFFFAOYSA-N 431.474 0.387 50 20 ICGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)c1cccc(Cl)c1 919555961 ZVKBRAWTOYIQLW-UHFFFAOYSA-N 431.898 0.850 50 20 ICGD O=C(NNC(=O)c1ccc(Br)cc1-n1cncn1)N[C@H]1CCS(=O)(=O)C1 1116389236 UCMQGYUZQXVFCK-JTQLQIEISA-N 443.283 0.161 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 1317718428 NUUWXKKQIGCODC-LLVKDONJSA-N 443.938 0.924 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778693894 FPEMSDUVTFCXEX-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783531863 DMDXWFCAQYZSOI-QFYYESIMSA-N 427.255 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1783936328 UPWJRCDCTWGGLL-LJQANCHMSA-N 434.522 0.441 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712492 QSEYSEWZFGQJQJ-SIFCLUCFSA-N 445.944 0.985 50 20 ICGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1785652521 ZAVHRZBPARDTMP-VOAKCMCISA-N 427.299 0.862 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786261757 TVQNATZVPDLQKY-ZQIUZPCESA-N 449.584 0.071 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21 1787508214 QMGTWJSMFFKWPX-FUPWHNRLSA-N 429.477 0.404 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789870709 SKWQTZSLQZPJSK-MRHIQRDNSA-N 439.409 0.686 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543632 IBGLTGPHNOAPMC-FUJDEKNSSA-N 439.944 0.454 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2)[C@@H](O)CCl 1792975274 MSXHLVPHISGQPN-VAECKANCSA-N 446.729 0.576 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793109859 HFYQNUKOVWPUKI-AICCOOGYSA-N 433.933 0.764 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732986 UQLXEHAKLCHUHA-OPMZPASUSA-N 439.321 0.147 50 20 ICGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795741289 SBBHWTUVSLYVHN-LOODEUFTSA-N 436.317 0.763 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)o1 1797754007 JAWMPNNITSDOFW-HBCWATKFSA-N 427.461 0.032 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797786806 JGDKEENBCAMOLY-QEOTZNIISA-N 432.901 0.478 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccnn3c1)C2 1798442975 KVBLEEFXCJSNDI-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805270499 KVNVHWJYSHLMPA-QRWLVFNGSA-N 441.492 0.270 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cnn2c1OCCC2 1812116271 QPIPVJHOMMRCBP-BHYGNILZSA-N 433.896 0.980 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071692 UCTMWUCUCUIVTE-JHOJWFKBSA-N 432.569 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1813301080 CUQQEFQBQBYFLL-WSUGHFNESA-N 439.520 0.897 50 20 ICGD C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815211429 HYLXGIXMTSZTJX-RDTXWAMCSA-N 426.282 0.987 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477407 YHGXSBMBPICAHX-KSSFIOAISA-N 427.314 0.736 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@@H](F)Cl 1818036736 ZXSPSPNNZPSWOR-SWLSCSKDSA-N 435.909 0.667 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052029 MVOMUJKWRZOLEY-QJWGWKRISA-N 448.394 0.758 50 20 ICGD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060350 YMYMQTHYRROQOP-JSXRDJHFSA-N 426.322 0.492 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830537770 OBVQNDUNKHSHMS-XHDPSFHLSA-N 437.360 0.100 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)o1 1830538726 OANJZOPKRCDXKX-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831518279 SYBRWHWACLJKMD-QCQGSNGOSA-N 425.295 0.540 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)N1 1834589662 LELWFONKAIZYMK-HIFRSBDPSA-N 433.322 0.527 50 20 ICGD O=C(CC(F)(F)F)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834596018 MNPDDBKOTCOKOH-UHFFFAOYSA-N 441.259 0.504 50 20 ICGD C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799218 QOYSHIWTXFRZMH-UHFFFAOYSA-N 449.307 0.763 50 20 ICGD COCCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835177795 LXSBSUCJKQLJMD-SFHVURJKSA-N 441.960 0.314 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738185 WPTDCLTZQWLNBK-CCEZHUSRSA-N 444.536 0.421 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1835832726 RBXYMTUYZCBUJR-WBMJQRKESA-N 447.349 0.939 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717990 OCMBVNUGWVXBFK-HNNXBMFYSA-N 427.885 0.705 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838099812 PLXWRFRFKCDMSZ-BZNIZROVSA-N 432.271 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840150291 IRZCRRVNQOEODC-UZLBHIALSA-N 440.928 0.471 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186879 WURMJIMAZQJGDM-MRXNPFEDSA-N 437.255 0.656 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1841427070 CKQRAWPRCBKMFG-KGLIPLIRSA-N 431.917 0.425 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2NC1=O 1843011797 UMFREFGYGRPWFF-CQSZACIVSA-N 449.272 0.217 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnn3ncccc13)C2 1843415979 KRWVNRPSIPYIGS-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845231779 HLMNWVAYNMBODE-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)c1OC 1845425139 ASARHFHWBNTRAM-UHFFFAOYSA-N 440.261 0.220 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCNC(=O)OC(C)(C)C)C1 1846960166 NTUKBSZCIIYIOP-UHFFFAOYSA-N 425.530 0.478 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 725739394 FGGLFTHNGRYURV-UHFFFAOYSA-N 436.924 0.319 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1C 726281208 GGBCTDFXWFSVMR-ZDUSSCGKSA-N 436.465 0.895 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727268401 KIFFEDLLOPUXAF-UHFFFAOYSA-N 441.579 0.495 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CN3)cc1OC 727525170 TZPGHHJJFBAUAB-UHFFFAOYSA-N 428.401 0.686 50 20 ICGD O=C(COC(=O)c1cccc(N2CCOC2=O)c1)NNC(=O)[C@@H]1COc2ccccc2O1 728329514 YQOJRHOQSSXYCB-KRWDZBQOSA-N 441.396 0.787 50 20 ICGD C[C@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NC(=O)C1CCCCC1 728343329 MTXOJXULNKUWLM-KDOFPFPSSA-N 447.488 0.992 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 729231401 VLTJMRAFSJEPOG-UHFFFAOYSA-N 448.461 0.280 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)nc1 732589937 HJKSLUVHYJAQAZ-NSHDSACASA-N 438.432 0.558 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNc2nc(-c3cccnc3)no2)cc1 733361227 VLMAIWYPGPOOAX-UHFFFAOYSA-N 445.461 0.902 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 740852795 HDWUGDSLUPYPEE-ZDUSSCGKSA-N 442.513 0.679 50 20 ICGD COc1ccc(C(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 742472469 OGCMNGZPSZPKEL-GFCCVEGCSA-N 446.485 0.982 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 743578194 VEKKFFKDUJMNSE-BZUAXINKSA-N 425.445 0.497 50 20 ICGD C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 748342422 HGSYFDBKUQGWPN-QFIPXVFZSA-N 437.456 0.377 50 20 ICGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 750713378 FAUBPBBFKLDSRU-HNNXBMFYSA-N 432.506 0.395 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751201384 JBOWPAOQOAMBFP-JTQLQIEISA-N 433.352 0.257 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 756279500 FZRGBMWQQUIFFK-JTQLQIEISA-N 435.959 0.984 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cccc21 758298037 COSVDEJACXKNLK-UHFFFAOYSA-N 442.461 0.451 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)nc21 759351888 QBKBPPKZIMYWNL-HNNXBMFYSA-N 426.481 0.986 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2NC1=O 763570648 HGGPPXMZKMVLKZ-QLJPJBMISA-N 426.385 0.332 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 763681203 SXFBZFPTZXTHEV-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)n1 763880209 CRIVSNPYRCTGTH-IAGOWNOFSA-N 442.520 0.895 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 764004284 ORBZOGQRLRWWHZ-KRWDZBQOSA-N 441.396 0.186 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764203204 OUNQDEGKBVFDEX-UHFFFAOYSA-N 444.485 0.369 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 764278594 RYSUFKBELQXPON-UHFFFAOYSA-N 434.474 0.327 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cn1 764362378 FHEZOXBLOGVNIP-UHFFFAOYSA-N 441.492 0.634 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(C)(C)Oc3cc(F)ccc32)n(C)c1=O 764820356 ZOXHUWFWBXMBOR-UHFFFAOYSA-N 428.424 0.654 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2ccnc2)nc1 766644925 XQSYMRSJOVEWHZ-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CCc1nnc(O)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1CC 766649929 KZSRZAJFATYYBS-UHFFFAOYSA-N 440.504 0.526 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NNC(=O)C(C)(C)O)c1 768260385 WAEIOMGEGOLYFE-UHFFFAOYSA-N 430.527 0.307 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNc2ccc(Br)c(F)c2)cc1C 770815439 ISXKSSMDNDPEMQ-UHFFFAOYSA-N 427.234 0.921 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2ncncc2Cl)c1 781833894 PARHEXRRUUCRJK-UHFFFAOYSA-N 440.913 0.974 50 20 ICGD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783427926 QVZVBEGTUXRGQE-JLTOFOAXSA-N 436.534 0.838 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc21 785060844 OYQDATGOPKSNLV-UHFFFAOYSA-N 447.455 0.364 50 20 ICGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 787126217 LZOHLSWHJFHZMU-HZPDHXFCSA-N 435.956 0.897 50 20 ICGD CSCCONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 793428534 KVDCWASJXGUDPI-UHFFFAOYSA-N 446.551 0.265 50 20 ICGD COCc1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 794860797 YJHGAOANGMVTBT-UHFFFAOYSA-N 436.490 0.925 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 800055119 GUPDHHSYTSQTDU-TZMCWYRMSA-N 436.494 0.240 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1F 806975910 UGVGVLCFQAGBFC-UHFFFAOYSA-N 442.856 0.716 50 20 ICGD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 810385961 GWSWVKYKDKJBKN-UHFFFAOYSA-N 434.338 0.784 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3COc4ccccc43)nc2)CC1 812442721 CRUYVDUPOPFMLN-HNNXBMFYSA-N 446.533 0.820 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)C1=O 812987714 OFVVVJRENHUZQO-JEOXALJRSA-N 449.489 0.499 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 815752289 MELSNXZKEZUORP-UHFFFAOYSA-N 449.489 0.273 50 20 ICGD Cn1c(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc2ccccc21 816577108 XGFARFKZFGRXIX-UHFFFAOYSA-N 428.474 0.451 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCc2nncn2C1 816880980 WTLWPYYTVKNNOP-GHMZBOCLSA-N 433.450 0.262 50 20 ICGD COc1cccc(/C=C(\C(=O)OCC(=O)NNC(=O)c2ccccc2)n2nnnc2C)c1 818160450 VJWFFFDXNXSGAA-LDADJPATSA-N 436.428 0.993 50 20 ICGD CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(C)=O 884742300 RHXIWJRRHSJWDM-ZUZCIYMTSA-N 432.930 0.902 50 20 ICGD COc1cc(C(=O)NNC(=O)CNc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 912725616 LOFRPYIWJWVHPB-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(-c3cnn(C)c3)n2)c1 916094420 JIWRBWBBRXERFF-UHFFFAOYSA-N 434.503 0.869 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCOCC1 916254193 MGVSZRQIZPBYPM-OAHLLOKOSA-N 426.543 0.281 50 20 ICGD COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 916527846 BONGXPOMKOBMDP-LJQANCHMSA-N 442.424 0.971 50 20 ICGD C[C@H](Sc1ncccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 1322301956 CICOMVLAOYWYAM-QWHCGFSZSA-N 440.547 0.380 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778094393 HVRYDXYYEBVNRB-XPOIKGTDSA-N 433.509 0.669 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779604308 HCRCEXLXJZNEJU-OAQYLSRUSA-N 441.492 0.220 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(OC)n(C)n2)C1 1780245518 KWPUWLWFEUGPMH-ZXYWRSMDSA-N 428.917 0.810 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330217 UFGMAUFUJZCHJU-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1781900487 RGWWZJVDDPNPOA-HNSFDTNUSA-N 448.358 0.737 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783321267 BXJVHAKZNYDJPN-GAJHUEQPSA-N 438.289 0.277 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1783937786 XPKFBFBNVFFHOR-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785569831 VSHOTGDOOPMSTL-KUHUBIRLSA-N 433.933 0.721 50 20 ICGD CC(C)c1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)co1 1786980120 LJRBOPWNVCWAGS-IEZWGBDMSA-N 441.293 0.385 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980920 DXGPHWOLBFBBGM-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1787508119 HALPSQDFYSUIIR-UKZVOZDVSA-N 431.493 0.279 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccncc3)C[C@@H]21 1791288721 PPDWWTPMKMOWED-UFYCRDLUSA-N 445.564 0.757 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)C1 1792972725 KYGICYVGCXNUJP-YOVYLDAJSA-N 435.290 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C(F)F)c1 1794274439 RAEZRLTUCKXSCQ-ZSBFGKGUSA-N 439.463 0.595 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cn2cc(F)ccc2n1 1796189012 MPRCAMKGTKFQMW-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc2c(c1)CCNCC2 1796193146 OMWDFKSMCYUXRK-WKCHPHFGSA-N 448.332 0.015 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796906319 INMHXSGTYDPJQI-WGYQYOJISA-N 430.509 0.625 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1800970302 BGGZEVSSBAVQFQ-ZGUDAKFJSA-N 449.935 0.702 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3s1)C2 1801011127 FRVFMVOZMVIFTL-CCWDJLKJSA-N 445.545 0.873 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803148555 SREKGHDPJMEVBQ-YHUYYLMFSA-N 429.926 0.264 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805554005 DECTUXRBYCHNMI-FQEVSTJZSA-N 427.354 0.696 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360310 KCUHHDVEFJHXKW-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccncc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372114 ALRCBGIUAPBHMZ-OFNKIYASSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(F)n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373836 CYYLHGHWNWIVKJ-DYESRHJHSA-N 448.263 0.929 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1cncn1 1809972803 QUGROUGILNTYGV-MRXNPFEDSA-N 425.298 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1813071788 XIGUZXDADXUUAF-LPHOPBHVSA-N 425.493 0.564 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073689 NVOOROOZEIKBFG-KUDFPVQQSA-N 444.536 0.151 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470989 BELALKICPNYRGR-SXSDINLZSA-N 440.265 0.515 50 20 ICGD N[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)c1ccccn1 1817471691 WQCKCWULBUUPJN-UYAOXDASSA-N 448.292 0.490 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1ccc(B(O)O)cc1 1817474576 FDGHFKDPTFNUKO-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817475921 VCUKONPAVYTOCP-IBGZPJMESA-N 448.292 0.818 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819886513 KHXYEBGNTNTAET-PXAZEXFGSA-N 442.614 0.557 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)no1 1826642170 TYOHOBWNMWZNSU-LBPRGKRZSA-N 434.522 0.967 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826866006 CSDHKRFKTYEXME-GOSISDBHSA-N 440.309 0.792 50 20 ICGD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)C(=O)O 1830545120 DXBVPYHMYZLKEU-ZVDLLJIASA-N 433.299 0.505 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1F 1830736880 BWBIPBQLJBHKKP-KXBFYZLASA-N 430.860 0.504 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830988544 SGHYMFKNUAQUFE-UTKZUKDTSA-N 440.924 0.684 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831184833 GWORDOPDJWPSJT-DNVCBOLYSA-N 429.590 0.209 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1833091369 FYUNEZDYJVAWQF-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)s1 1833310185 BERRRWSMZVFYPL-HNNXBMFYSA-N 429.974 0.560 50 20 ICGD CC(=O)N1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)CC1 1835512436 HYTVMBJKSFBSPF-IBGZPJMESA-N 445.967 0.257 50 20 ICGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1835920217 QFXNKGZLCYNUFK-OAHLLOKOSA-N 427.864 0.894 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1836717246 PPRPNNQXJKVZKJ-JEWRLFTDSA-N 427.973 0.925 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837321502 OGYBFPWRBJUNMX-MQPRCNAWSA-N 449.891 0.078 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1839961989 POZZWDCXWVULLK-IIDMSEBBSA-N 448.358 0.531 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840030155 CAXPLBFOJAKICM-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840030793 WWCYKBDBETTWRO-BPNCWPANSA-N 447.248 0.540 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1840151567 GEXJBNXMTRWKIJ-RIFZZMRRSA-N 440.928 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1840151825 OJBYFXBJSRDQEA-QDYDYXSASA-N 437.924 0.992 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842797490 NMEJJBJAGMYTMT-OAHLLOKOSA-N 430.417 0.616 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012143 IYSIYWBDEUJPQD-UHFFFAOYSA-N 439.233 0.419 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843012578 CIZQJKFGNFNXMJ-UHFFFAOYSA-N 443.309 0.052 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCCCC2=O)C1 1846291077 XVWJGCUQQXKPGR-HZHRSRAPSA-N 428.493 0.336 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)N(C)C(=O)OC(C)(C)C 1846385534 QXGOPHDRCMPHIF-OAHLLOKOSA-N 439.557 0.818 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)N2CCCC2)c(=O)n(C)c1=O 16881645 SJENSUGGKAQTJS-RVDMUPIBSA-N 437.456 0.457 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 725881572 YNQXISUKHZBZQH-UHFFFAOYSA-N 446.529 0.799 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1C 726281431 RIVKJQIQBMVDMI-UHFFFAOYSA-N 443.485 0.470 50 20 ICGD CN(C)N(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCS(=O)(=O)C1 728805421 WSIMBGGJZPFUPF-SNVBAGLBSA-N 439.353 0.959 50 20 ICGD COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728856281 LYXSGOYIJFYRHZ-UHFFFAOYSA-N 433.490 0.798 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728957414 UNCIZHJYBNKDOI-UHFFFAOYSA-N 433.490 0.380 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734240628 VPEKLRQWBOLOLR-UHFFFAOYSA-N 439.494 0.067 50 20 ICGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O 734242106 SYGINMILKROXRN-LLVKDONJSA-N 426.474 0.095 50 20 ICGD CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)NNC(=O)c2cnn(C)c2)CC1 735512751 MUESGIPTXWKRRI-UHFFFAOYSA-N 449.556 0.641 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 735513125 NBHOMMNRBJGRFO-UHFFFAOYSA-N 431.518 0.949 50 20 ICGD Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 742033436 OHXLWTWEEKFMJC-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742469844 JARDEHVDORSECL-PBGAUENZSA-N 429.473 0.807 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 743256746 PIVQBCBSQGCUAZ-UHFFFAOYSA-N 448.567 0.699 50 20 ICGD CCn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)ccc2c1=O 744810720 BAFUGZGLFWHIJJ-UHFFFAOYSA-N 435.396 0.612 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 744885974 NFLCDWWNAVDUNI-AWEZNQCLSA-N 433.490 0.808 50 20 ICGD CC(C)C(=O)NNC(=O)C[C@]1(C(=O)NNC(=O)C(C)C)CCN(C(=O)OC(C)(C)C)C1 746095995 LQOFWSKIRIFUMW-HXUWFJFHSA-N 441.529 0.611 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cc1F 751269802 FOWCKSHBELIEGO-UHFFFAOYSA-N 436.377 0.962 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C)c1Br 756154758 HRAIKUTWTRENFA-VIFPVBQESA-N 435.300 0.090 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ncc(C(C)(C)C)s2)n(C)c1=O 756795975 MYZOAKNUIOLXBH-UHFFFAOYSA-N 434.482 0.041 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2nccc(N3CCOCC3)n2)c1 762862647 XEIDORCFFWZKIC-UHFFFAOYSA-N 440.913 0.974 50 20 ICGD CCN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)=O 763572390 RBZXKIAGALUZSC-LJQANCHMSA-N 440.456 0.981 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763719077 UTZIAMIWKZXYEB-UHFFFAOYSA-N 448.457 0.123 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccccc2C)n1 763917499 VICPXHNMPACAKP-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763943266 BKKXPYFSPVTZTA-UHFFFAOYSA-N 429.414 0.826 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 764003884 JWIXGXUGLSQJMB-UHFFFAOYSA-N 448.457 0.067 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 764152710 TXPVXGRTHQIYLJ-ZWKOTPCHSA-N 438.440 0.894 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765119476 XIBOPKYMBLICHM-CALCHBBNSA-N 437.566 0.288 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 766849343 RTCMIYLALPYUJR-IBGZPJMESA-N 429.565 0.704 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 770365035 UCVQHKKCEOVQKQ-UHFFFAOYSA-N 448.457 0.156 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CN(C)CCO1 770433640 BOLDAHCBXPWRGF-WMLDXEAASA-N 439.538 0.134 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1 772099314 GQDMCZOWSBLZSR-LBPRGKRZSA-N 426.495 0.899 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 772995189 NPNFHBYONBDCKK-OUCADQQQSA-N 443.909 0.290 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1csc(N2CCOCC2)n1 779488821 KANMYAQYIFZXMA-KBPBESRZSA-N 449.514 0.445 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)c2)CC1 782120997 NYVYCTSLGPTKSA-UHFFFAOYSA-N 443.529 0.741 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1ncncc1Cl 782166842 XVDIWTMLAVDXTN-UHFFFAOYSA-N 440.869 0.661 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS(=O)(=O)C1 783428846 YBGFEPCDZVDRDT-KRWDZBQOSA-N 436.881 0.534 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785073942 NOHWKGPHEDIZDG-UHFFFAOYSA-N 447.455 0.916 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 786681154 SMAODCZHMOXAFG-BOPFTXTBSA-N 433.486 0.727 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)N2CCc3cc(F)ccc32)cc1 802566117 ACSGMRXKYWLPSQ-UHFFFAOYSA-N 448.476 0.491 50 20 ICGD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)cn1 802567551 YHYWUDYPPWMWPP-GFCCVEGCSA-N 449.489 0.089 50 20 ICGD Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 812980240 QDEPXMOCXXKBDK-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 815692496 SEFXAJRYPYWSNL-HNNXBMFYSA-N 448.487 0.826 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1nnc(O)c2ccccc12 913584128 OZVQPYZDOMKZBS-UHFFFAOYSA-N 435.849 0.728 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 914554944 BZIKIVSJVYUDRY-UHFFFAOYSA-N 443.493 0.573 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 916259940 KKXRPIXZEHXJKN-UHFFFAOYSA-N 429.455 0.118 50 20 ICGD COCCN(C)CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916582127 LRGKAQABCWSQHH-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)c2ccccc2C)cc1C 920838404 PTVQVBKSTBTSKT-SFHVURJKSA-N 446.529 0.985 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1780372349 LMMWMLKIEKZGJH-OAQYLSRUSA-N 442.476 0.554 50 20 ICGD CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780777445 SGXAITWKEDJOSM-UXIGCNINSA-N 443.335 0.626 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1780939664 HXWFTNZZOIRJQA-KRWDZBQOSA-N 447.344 0.525 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1783844107 BJVVEJKWGKYXFH-XXBNENTESA-N 444.532 0.583 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1784520466 RJKIUACTRLTKMH-DEEHTKSCSA-N 443.393 0.883 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4occc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979697 ALUWFQTYGMGFDO-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1C(F)(F)F 1787643281 ZTDIXWREUQDAMO-YFKTTZPYSA-N 438.834 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243221 WRNMQLVMOJFQAR-NDMCHQMPSA-N 433.288 0.944 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3noc4c3CCCC4)C[C@@H]21 1791289156 MAVFIMICURIPQP-ZVZYQTTQSA-N 447.536 0.520 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)C(C)(C)C 1793196676 JSMONVQVFRVFMT-TVKJYDDYSA-N 432.359 0.910 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1 1799058478 WYVMDZVCNYBDAK-NGYDUSEUSA-N 439.476 0.871 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1799275065 JRMBLDKWLQBOHC-AWRDBPELSA-N 435.377 0.839 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1800640450 YSQUMAUKGKVWKB-CRWXNKLISA-N 441.326 0.763 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800760937 BGQNVBJEFKKHHQ-NAODYHOCSA-N 433.892 0.086 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1801006540 DWWXZPAUNXINJI-RRHXEBKHSA-N 425.309 0.428 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802343390 BOWGWBOKAYKNFI-OQIJWPOYSA-N 443.548 0.816 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363085 APHJTFHCXCIFFD-LKUPVBHCSA-N 437.305 0.672 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808304037 PFDRMCDGAYYIOX-HEHGZKQESA-N 435.868 0.856 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070120 FTNKBFHYCCMKDT-LAUBAEHRSA-N 441.536 0.991 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)o1 1813071050 MIJKSIBIWIURLO-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)O 1815080969 WRUPXRPLVRQSGI-PWSUYJOCSA-N 428.587 0.969 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1CCOCC1 1817010179 UCYSJSUBPZTIRE-SFHVURJKSA-N 426.282 0.822 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822189085 NXUSQOWQDSPFPB-NORZTCDRSA-N 444.330 0.836 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825928361 KYRXCUKLTBBLFN-IAQYHMDHSA-N 429.307 0.664 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1829627844 JFQQHGANXUYEMF-RXVVDRJESA-N 435.908 0.547 50 20 ICGD C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)C1 1829668176 IJVYDQDMUZGILQ-OLCUMFGGSA-N 443.504 0.543 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1829765233 NPHUGFDFDVRNGU-JXCVUKRWSA-N 444.326 0.086 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830275758 ZTTXHNNXJSDDHF-APWZRJJASA-N 447.315 0.775 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830375976 HZNAKKJDEUHRPF-IUODEOHRSA-N 447.305 0.848 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869670 LTPKDLLSWLHYTK-IBHIWXBSSA-N 447.580 0.838 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1832296909 FUOBTZOCLMOJTM-CXAGYDPISA-N 434.331 0.095 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833307843 AHOGEIIAWPFEPS-YJBOKZPZSA-N 425.961 0.691 50 20 ICGD CCCNC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833425158 WJDVGAGCCMBCDB-QGZVFWFLSA-N 430.977 0.464 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833686378 FVVLJRZKTWEFPP-ORAYPTAESA-N 444.891 0.750 50 20 ICGD Cc1cc(C)n(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1833835841 ASYZOEGABSTMFI-GOSISDBHSA-N 425.961 0.671 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834616213 FKWLKQZFOZGKCC-BEFAXECRSA-N 427.885 0.876 50 20 ICGD COCCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1836718429 XKECVXWTRDTKOM-GOSISDBHSA-N 442.944 0.741 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837770295 YXFGVQLCOHTYJB-PXAZEXFGSA-N 437.802 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839619 NZCCVSVYWYYFIH-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839176433 OQPCLGRJPPTWJU-DNVCBOLYSA-N 432.901 0.206 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cccc1=O 1839198326 YAKYEXZCYBKLFS-WMLDXEAASA-N 446.273 0.146 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839643000 AVMYMFBNDGRRDX-VKJFTORMSA-N 434.375 0.957 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839962681 OIVYHJWUDZAAKJ-PXAZEXFGSA-N 443.298 0.426 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841299727 GUJWMURZLFPNPO-NEPJUHHUSA-N 434.331 0.859 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)cc1 1841348183 NNKYMPOZBLOFBD-GOEBONIOSA-N 443.953 0.465 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccc1[N+](=O)[O-] 1843012945 ZPBMXXQFHHCUBS-UHFFFAOYSA-N 439.233 0.414 50 20 ICGD COc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccs2)cc(OC)c1OC 26954857 ZKHQGYNMNGEAJY-UHFFFAOYSA-N 443.503 0.904 50 20 ICGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)Cc1nc2ccccc2n1C 726278726 XRUJKHUUYJXAOG-QGZVFWFLSA-N 429.525 0.389 50 20 ICGD O=C(COC(=O)c1csc(-c2cnccn2)n1)NNC(=O)[C@H]1COc2ccccc2O1 728383266 LDKQLLBFKCCRFB-OAHLLOKOSA-N 441.425 0.744 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2cccc(C#N)c2)c1 729230487 YNODINBNJKTKSQ-UHFFFAOYSA-N 430.446 0.049 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 729273909 AGJDMOAUGRVLLR-SNVBAGLBSA-N 446.532 0.248 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(C)c1OC(F)F 730571786 TYXOAOHMFSLTDS-UHFFFAOYSA-N 427.433 0.940 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 732259849 YQZNOGWYGRWVPP-CQSZACIVSA-N 425.488 0.229 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 734120269 PLJQASUWKJFSMV-OAHLLOKOSA-N 435.506 0.289 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1ccccn1)N1CCOCC1)c1ccccn1 741767564 ZGNCXKWHPFJDMZ-FQEVSTJZSA-N 437.504 0.948 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 741831445 QKBPIWGCVMDVOD-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD CN1CCN(Cc2cccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2)CC1 746219699 UZEPACZBDZJMJI-UHFFFAOYSA-N 437.548 0.902 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)c1 748835214 VPANHMHKLMTFPY-UHFFFAOYSA-N 428.421 0.012 50 20 ICGD CCC(CC)[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCOCC1 750510254 LZXVIYPLUXIDJY-QUCCMNQESA-N 449.504 0.654 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n(C)c1=O 754080220 RZQJQFACIFJTRR-INIZCTEOSA-N 442.476 0.138 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1nnnc1C(C)(C)C 757696623 RQSNSGDYGHKANU-CYBMUJFWSA-N 449.537 0.777 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206675 UHMXTQVDFDQXJA-UHFFFAOYSA-N 441.325 0.462 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2c1=O 763785138 GOPOVIQWDUBNOA-UHFFFAOYSA-N 431.355 0.935 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 764001943 HGDLLZXVVRVYPN-UHFFFAOYSA-N 440.258 0.052 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)c1O 764131241 IXFAVBITXHKOCE-UHFFFAOYSA-N 428.445 0.633 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 764213020 SEPPBEZQGOMGIL-KRWDZBQOSA-N 427.509 0.286 50 20 ICGD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 764231085 MHDHKSLBAOFCCI-CYBMUJFWSA-N 442.538 0.724 50 20 ICGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cc2N1 764388393 RQDKWUTUZWDZSX-UHFFFAOYSA-N 438.375 0.946 50 20 ICGD CC[C@@H](C)Oc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 764816519 JZMIQIATMUAZPY-CYBMUJFWSA-N 442.476 0.770 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)(N2CCOCC2)C1 767895534 GATNWPVOLSGEOQ-UHFFFAOYSA-N 430.509 0.477 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)nc21 770395382 PZBGNUWHEQOQIM-HNNXBMFYSA-N 426.481 0.639 50 20 ICGD Cc1sc2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c(=O)n2c1C 775952971 GALSQWJALLHQKT-UHFFFAOYSA-N 425.426 0.863 50 20 ICGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)CC1 776270919 GLFSIQMTBYJRLU-UHFFFAOYSA-N 442.457 0.490 50 20 ICGD COc1c(F)cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1[N+](=O)[O-] 777621668 ROEZDYKNBSUHSX-UHFFFAOYSA-N 432.411 0.544 50 20 ICGD O=C(CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)NNC(=O)c1ccc(F)cc1 782052423 CLWFYZDHRYAYPA-QGZVFWFLSA-N 426.514 0.913 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 782398874 ODUHVGGOKHOMJU-UHFFFAOYSA-N 441.325 0.446 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782831729 FTEWEWJXVMDHBC-UHFFFAOYSA-N 448.457 0.241 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783425146 BHDFAPHMPIWYAX-LJQANCHMSA-N 440.522 0.070 50 20 ICGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783833318 WKFDQWDHFNYNSI-IRXDYDNUSA-N 438.506 0.886 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccnc1OCC(F)F 784003970 BCCMUEVDWDBVFK-UHFFFAOYSA-N 427.389 0.303 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC(C)C 786033041 HNZWHGKOFSQEIH-UHFFFAOYSA-N 443.464 0.382 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786667005 UEWIEUBNCOWUNZ-BOPFTXTBSA-N 428.470 0.794 50 20 ICGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 789585008 VESTYYJUJZDYMC-MRVPVSSYSA-N 436.259 0.417 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc(Cl)c1Cl 793451320 RBWMCSKSHYAGJB-ZETCQYMHSA-N 434.261 0.855 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369054 MXAQYQVYMARWIY-UHFFFAOYSA-N 442.403 0.850 50 20 ICGD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NNC(=O)CNC(=O)c1cccs1 799912517 WRDOCFRTQPMWJL-NSHDSACASA-N 439.519 0.559 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 802111364 HJDBEUZRWQHSBA-WDEREUQCSA-N 444.897 0.537 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1cc(Cl)ccc1O)C(F)(F)F 806567592 HYAFQWAMHCBJSR-JTQLQIEISA-N 432.808 0.812 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1OC 813821098 OORNGAGQFONSNT-NSHDSACASA-N 437.482 0.464 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(N)(=O)=O 915594245 YDXPEPAMRHVJRD-UHFFFAOYSA-N 434.449 0.977 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN2C(=O)CCC2=O)c1 915615873 DDRCZGZUJCEDPL-UHFFFAOYSA-N 438.506 0.407 50 20 ICGD O=C1CCc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc2N1 1318494306 NXLYAKJDGABWNL-UHFFFAOYSA-N 430.490 0.587 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778028023 HAHFGEQSYLPXPC-AZGFTEDZSA-N 437.896 0.878 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778509906 XCAVUTURDRVHKU-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD CC(C)n1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779032415 JIEOWYFTOIEDLK-OAQYLSRUSA-N 441.492 0.220 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)Cl)C2 1779374990 JOXMMYSNADIBHT-CXAGYDPISA-N 445.854 0.644 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781218343 FJKPNYPWCFNRER-FZKQIMNGSA-N 426.857 0.604 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1C[C@H]2C[C@@H]2C1 1782214836 NHTMDJWJORQIIL-RRFSAMJTSA-N 449.596 0.214 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1783872762 HABGWSXBWJCKHH-SCLBCKFNSA-N 429.926 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1783877112 VGONLTURGAMUBE-AUUYWEPGSA-N 433.933 0.937 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1783879992 DAGFRWMLNRZRTM-CMIKEYLWSA-N 439.896 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1 1789521163 OQLZSMSGSOGPBX-UHFFFAOYSA-N 447.455 0.830 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(C(F)(F)F)n1)C2)[C@@H](O)CCl 1792980442 IVHUGDRRJPRDLA-OEIWMXHLSA-N 427.832 0.965 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H](F)c1ccccc1 1793717953 YLYKVCIYUZKXRY-HNJRGHQBSA-N 426.253 0.280 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)s1 1794221013 HBERINFCEGHMTP-CULMDFNYSA-N 433.465 0.403 50 20 ICGD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c[nH]1 1794304327 NMJIIHIUYZKHNQ-XEMDLRDOSA-N 439.321 0.509 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796998946 JXHWASSPXYIOLY-UMPJEAMMSA-N 448.907 0.391 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc31)C2 1797754232 ODZYSQDOSHYSLA-MNDZRTMASA-N 449.511 0.618 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1804211286 JWVOLMIOPQPMHX-BASYENTBSA-N 430.509 0.242 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1804353133 BJDOHIYVQKIHRU-OQIJWPOYSA-N 443.548 0.816 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1805920673 ZXDXYGSPAZKHGO-UTKZUKDTSA-N 441.536 0.991 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2nccs2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365837 WMMMACDTHDMMFI-SJLPKXTDSA-N 436.302 0.851 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1813071673 RZCWRIGJGIPVKF-WMZHIEFXSA-N 444.580 0.946 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cncn1 1822763179 NKYKSACTYLNFBK-CXAGYDPISA-N 437.269 0.248 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n(C)n1 1826080505 OQLVZADMGCUNNT-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050958 HVLZBPGMZFVZNH-IBGZPJMESA-N 430.310 0.553 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1830533002 CVHBVOGYVKARRU-VKJFTORMSA-N 443.342 0.932 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1830534053 WAKJURLWWFNAHI-FRQCXROJSA-N 446.386 0.958 50 20 ICGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1ccco1 1833310194 BPJNXHNQBZQAKK-MRXNPFEDSA-N 440.928 0.181 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800117 QZZASWLBOHGVJO-VGSWGCGISA-N 441.381 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1)[C@H](F)Br 1836412790 UZMHFPGXFTYUJE-HNNXBMFYSA-N 431.310 0.540 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1 1837651735 GOBPWKQEHBIXHC-HNNXBMFYSA-N 447.374 0.363 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837715611 AGMNVTWAQIHEKC-PDOICOKGSA-N 426.586 0.862 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794637 YAFFFZRIBMKBHV-HNNXBMFYSA-N 446.258 0.173 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376867 LGLQLCGDJKHLMR-DYVFJYSZSA-N 443.298 0.426 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839145938 RNIJGZOABGCFSU-FTRWYGJKSA-N 425.913 0.883 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839155601 YWMQLXYIEJCJHE-ROUUACIJSA-N 447.319 0.548 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199565 YBCCYDCJYVJUER-AXAPSJFSSA-N 438.294 0.048 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840154133 MKQVNVQAWKVPDL-JXFKEZNVSA-N 442.896 0.725 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1840154520 YDZHCWLBYDANSE-KXBFYZLASA-N 429.876 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840154640 BCJZEXAOXIPXDG-MGPUTAFESA-N 436.896 0.658 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Cn2cccn2)C1 1842119860 DRLAROFRAZBFNJ-DSDXLYQOSA-N 425.493 0.857 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1844707152 JZWHKCZHGXUVIV-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CC(C)C)CC2)cc1 10161204 CKSGDGHRJWYDIW-UHFFFAOYSA-N 438.550 0.802 50 20 ICGD O=C(COC(=O)c1cncc(Br)c1)NNC(=O)[C@H]1COc2ccccc2O1 104534534 AAEYARWBNFERIK-CQSZACIVSA-N 436.218 0.988 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728332640 LMWLCAOXGMHKBJ-RHSMWYFYSA-N 447.488 0.802 50 20 ICGD Cc1cccc([C@@H](CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)NC(N)=O)c1 728723716 SPJLQYWNHBLCNV-CQSZACIVSA-N 433.490 0.793 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728848050 UFDGTQRPVCWKBY-UHFFFAOYSA-N 446.533 0.246 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCC(N)=O 730552791 MMIVMRHYOQRSMX-ILXRZTDVSA-N 436.509 0.763 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)CCOCC(F)(F)F)c2ccccc2c1=O 731902711 LVTMXTMFHGRUKW-UHFFFAOYSA-N 436.412 0.950 50 20 ICGD CCN(C(=O)NNC(=O)c1csc(N2CCOCC2)n1)[C@@H](C)CS(=O)(=O)CC 733336075 JHDITIUHKTTZND-LBPRGKRZSA-N 433.556 0.479 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNc2ccc(C#N)cc2)CC1 735118365 TWTOVIVJMWSRMM-UHFFFAOYSA-N 429.506 0.445 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 735647597 VFGBXMGDGKCGAE-INIZCTEOSA-N 442.505 0.520 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCc2ccccc2C1 740987236 OXWLEZWAOGACQO-FOIQADDNSA-N 439.468 0.964 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 745849690 CBAZUQRSEVRDEM-INIZCTEOSA-N 428.511 0.323 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748448017 VWTXEBAALRJUFB-CQSZACIVSA-N 439.538 0.731 50 20 ICGD O=C(NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)N[C@H]1CCS(=O)(=O)C1 748716777 AVBBZEMQAZYMAD-NSHDSACASA-N 438.897 0.929 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)co1 756289430 TZGLMBZXHIWGJP-UHFFFAOYSA-N 429.838 0.801 50 20 ICGD Cn1nc(Br)cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 757978356 CUKDWCGYNDNGGZ-UHFFFAOYSA-N 449.309 0.402 50 20 ICGD Cc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cnn1C1CCOCC1 758522442 IARDABKSKRHNBH-UHFFFAOYSA-N 435.344 0.983 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 759763386 JCKPQYRDMRRKRH-UHFFFAOYSA-N 449.445 0.331 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1 760976313 UFELUFMVTSUOCZ-RHSMWYFYSA-N 431.493 0.933 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F 763110277 YDWBBKMLVXKAGI-UHFFFAOYSA-N 437.449 0.930 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)c1 763379634 ZWGGXNMEQIKEFO-OAHLLOKOSA-N 428.580 0.915 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C)nn2C2CCOCC2)cc1 763661566 OGWDKTJCUMWXGI-UHFFFAOYSA-N 431.449 0.717 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 763759226 WSHJAYJSSNFMHA-OAHLLOKOSA-N 437.456 0.358 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)NC1CC1 764265619 BVUGDGKEFOIYEY-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD CC(=O)Nc1ccccc1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 769464877 NGQYBDGEPPMWBH-SFHVURJKSA-N 427.413 0.718 50 20 ICGD CCOC(=O)c1n[nH]c(C2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)n1 770038473 NZQKYQBJQDJWAZ-UHFFFAOYSA-N 435.510 0.316 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 770247251 NWDWTMPLDBMPJB-CYBMUJFWSA-N 447.564 0.606 50 20 ICGD C[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1cccc(S(=O)(=O)N(C)C)c1 770373096 SKIJVHKOQFHLFT-SNVBAGLBSA-N 434.482 0.707 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772182841 LYQYTYUWCMGINF-UHFFFAOYSA-N 432.864 0.471 50 20 ICGD COc1cc(C=O)ccc1OCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 775984761 VMJHORKIUTVLMW-SFHVURJKSA-N 444.396 0.417 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778437109 VHXOYOUDEITCQS-UHFFFAOYSA-N 428.511 0.644 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)CNC(=O)c1ccco1 778688548 KPTAJAFKTHFCTR-UHFFFAOYSA-N 438.387 0.416 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNc3cc(Cl)nc(N)n3)CC2)cn1C 779374579 PMWIKTFHAQFKDN-UHFFFAOYSA-N 428.906 0.298 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)nc21 780936838 DRGFEIYDZRDWQN-LJQANCHMSA-N 427.421 0.598 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)n(-c2cccc(Cl)c2)n1 783423748 AGUKAUOLXFTATH-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2ccccc12 783427222 NFAIWPPJWTWXRT-HXUWFJFHSA-N 449.485 0.528 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(Br)c1OC 785951347 TWMZZQFYUDBUGX-VIFPVBQESA-N 436.284 0.597 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=O)N3CCN(C)CC3)CC2=O)cc(OC)c1OC 788168838 FNTJCBJOMHCPET-CYBMUJFWSA-N 435.481 0.054 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(-c2ccoc2)n1 789266649 GEABTJUPQVHWNN-MRXNPFEDSA-N 426.385 0.824 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1c(=O)nc(O)c2ccccc21 795663793 WLUJQOXYGPFPSI-UHFFFAOYSA-N 425.401 0.176 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 799260337 NRBWLTKAWRBQSF-KRWDZBQOSA-N 426.429 0.710 50 20 ICGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 799856690 JXXCMGGUQROTTA-SPYBWZPUSA-N 439.534 0.601 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1 803437722 RKGVFJPQKDNLLM-UHFFFAOYSA-N 445.501 0.864 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 807380253 SEPFBICFFAEGQR-UHFFFAOYSA-N 438.282 0.423 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(Cl)nc2C)cc1 808069212 QRXLWJQDMXPCRS-UHFFFAOYSA-N 446.938 0.982 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)n1 810384128 DJBQDSIAHRLOOH-UHFFFAOYSA-N 425.792 0.898 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 810813033 HDLDEKHEJAWVQP-UHFFFAOYSA-N 432.474 0.556 50 20 ICGD O=C(NNC(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 913462964 KVOCPUAZPGEEFX-UHFFFAOYSA-N 434.460 0.865 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)o1 914750696 XDKGBBTYMBUUSI-UHFFFAOYSA-N 447.429 0.024 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 915775728 NNICVDIRNWRJLZ-UHFFFAOYSA-N 440.485 0.596 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCOC[C@@H]1CCCO1 916209988 XLWXLTLMPFGUMS-AWEZNQCLSA-N 427.527 0.818 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC(C)(C)N2CCN(C)CC2)nc1 916258918 OHHSCHXKWAEZOG-UHFFFAOYSA-N 441.602 0.764 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cc(Br)cn2)cc1)N[C@@H]1CCS(=O)(=O)C1 919886009 OXGKRVYJBZAFBX-GFCCVEGCSA-N 442.295 0.766 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919887303 ZMQPGQAWVWRRLU-HZPDHXFCSA-N 438.506 0.695 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1OC 1322207144 HKIOGISTSIVNRI-CYBMUJFWSA-N 440.474 0.223 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064639 PZUOHOKEBKVOHS-NRFANRHFSA-N 439.302 0.667 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778784296 YPJDTSPGRMTJSM-QMTMVMCOSA-N 431.917 0.596 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780774580 DUQNLLTYBNRNPN-ALYFQZSWSA-N 434.306 0.882 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783973278 XGMKNAJROLVUBE-XUXIUFHCSA-N 449.415 0.481 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)[S@@](=O)c1ccccc1 1784094284 MSFZWBPQFCYFIU-QRMUEIMASA-N 442.965 0.762 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1785107563 MJJZUTHFGFLUBB-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(C)n1 1786980884 CMQDJGRNGMKWFG-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786981977 JGNAEZGTCONZEV-BVSLBCMMSA-N 447.300 0.074 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984825 NSZNBDYEMRPJPM-FNHZYXHNSA-N 444.243 0.552 50 20 ICGD Cc1cc(C)n2ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)c2n1 1787906947 MNLRCHGSXBRRAD-LLLHUVSDSA-N 435.912 0.539 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145147 HNZIFCYEMCHQDE-QXMHVHEDSA-N 447.300 0.973 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]4C3)(C1)C2 1789925876 WUZRVIVTNYCZPE-XCQUIMOCSA-N 447.301 1.000 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)n[nH]1 1791056819 DBPPTJIAOZORRX-ZFVXVEAMSA-N 427.299 0.989 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792987448 QKSYYVSAAAZIPQ-FVCCEPFGSA-N 438.326 0.968 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)C1 1793116464 OTJVVWVBWMERJU-UPYQZRRNSA-N 445.944 0.596 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccccc1 1795283538 OPYJLPQKFIJLSH-NECVAMPVSA-N 435.484 0.602 50 20 ICGD CO[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccccc1 1795376802 ZBRZNGWUHXRJPZ-JWWGGVBKSA-N 432.521 0.337 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2nccc-2c1 1796197295 QXDITWHQHJDSKY-JLVBRIDZSA-N 449.471 0.030 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)cc(C(N)=O)cc1C 1797736442 HPGQPIPECWVPBZ-DFGXFYAUSA-N 437.924 0.859 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(N)=O)C2)NC(=O)NCc1ccccc1 1799869146 IFYMGUAFRUBNNT-BCDXTJNWSA-N 444.536 0.236 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnc1 1803308418 OINBAGGQAGZCOE-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803565663 YDXVWJNWRJQEBQ-LKUPVBHCSA-N 437.305 0.672 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1813030716 FYZGMUKLXMTZHU-JKIFEVAISA-N 435.916 0.674 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350155 GUGBLBNVTACVOX-DOMZBBRYSA-N 429.307 0.640 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n1 1815957777 QQFTYGSGPSSAEX-INIZCTEOSA-N 430.513 0.980 50 20 ICGD O=C(O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055495 ZLRPOFDLFFSRHZ-SFHVURJKSA-N 448.350 0.418 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829828394 HCXWHFFABDZMSA-XEZPLFJOSA-N 435.246 0.460 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732778 AORBBNSJUKOSJT-MAUKXSAKSA-N 449.287 0.421 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)o1 1833903471 ZYVMVLBFZCZIAA-LJQANCHMSA-N 440.573 0.662 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819545 VIRWVZOIYFDUGO-YJBOKZPZSA-N 443.342 0.761 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)CC1 1835080871 ZUZFILADTJMOET-IBGZPJMESA-N 445.967 0.257 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)N1 1836412313 DHGDQEWGPRTXJM-HIFRSBDPSA-N 433.322 0.527 50 20 ICGD O=C1NC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)O1 1836413502 HAOJDDQJDTXICI-QWHCGFSZSA-N 435.294 0.357 50 20 ICGD CN(CC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)CCl)CC2)CC1)C(=O)C(=O)O 1836624888 ZVRGHDQHPVNSLO-UHFFFAOYSA-N 445.944 0.793 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837328307 WMEJHRXEANJTEF-YJBOKZPZSA-N 446.957 0.007 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839151892 HTETWNSKSXIGSY-DLBZAZTESA-N 449.291 0.194 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203557 OSZLLGIMDVBBJG-RDJZCZTQSA-N 447.305 0.810 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839965537 BLTKQRYVJSGYQH-CRAIPNDOSA-N 442.310 0.564 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049195 PBEQKPQMMNRKNK-BSXFFOKHSA-N 431.327 0.795 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1840152620 NKRMWHFNIDHWLW-RDTXWAMCSA-N 429.905 0.183 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC=CCC1 1840553827 DNUHKPHMJYRPEG-PKTZIBPZSA-N 442.321 0.183 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840886237 XMEVUCXKCDGRMC-KUHUBIRLSA-N 434.917 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)cc2)C1 1841221780 MMCNPGWVKKOSQT-UHFFFAOYSA-N 425.445 0.287 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3c(Cl)cccn23)C1 1843209190 JICUNBWLIAXIJG-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=C2\C(=O)Nc3ccccc32)C1 1844209213 RUMPVGPZIOUVGQ-YBEGLDIGSA-N 446.467 0.538 50 20 ICGD COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847476853 TZRUJPJHGDCQLT-OALUTQOASA-N 431.537 0.961 50 20 ICGD CCc1c(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cnc2ncnn12 107538227 SSGGGDXAIDAOEI-UHFFFAOYSA-N 428.405 0.322 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 727146599 WNZINIJALHGYRD-ZIAGYGMSSA-N 426.495 0.770 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1cccc(OC(F)F)c1 728594451 NWCMQIFIMBWOMI-UHFFFAOYSA-N 432.347 0.553 50 20 ICGD O=C(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)c1cccs1 729946978 QAIUJJXNVLYPGL-UHFFFAOYSA-N 434.386 0.386 50 20 ICGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 731467296 QCAMHUYKKGABMZ-ZDUSSCGKSA-N 446.551 0.238 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(C)(=O)=O)o2)cc1OC 733586909 YHXIMIGAQYNPIU-UHFFFAOYSA-N 426.403 0.318 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cnccn3)CC2)cc1 734245614 WMQQZRAUKWIZOQ-UHFFFAOYSA-N 432.506 0.541 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(NC3CC3)nc2)CC1 735117521 VOQKJUZAOLGRBS-UHFFFAOYSA-N 431.522 0.744 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cnn(C)c1 735470765 HUZABBINNDWWHD-HNNXBMFYSA-N 425.536 0.590 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 741284877 VDYCIAAELSVHCS-UHFFFAOYSA-N 435.481 0.334 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1nc(Br)cn2ccnc12 750243658 KOHUKHIZANGZII-GAJNKVMBSA-N 435.238 0.097 50 20 ICGD O=C(NNS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 751260455 LNBMEGVQHGOGTM-UHFFFAOYSA-N 442.475 0.121 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3nc(O)n(C)c3c2)cc1OC 751867556 PEEYFRXTCWRLJV-UHFFFAOYSA-N 428.401 0.914 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 754203538 KYCSYBMNJLUWCJ-UHFFFAOYSA-N 434.522 0.878 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2n1 755847784 XEWAZBDNSGGGFF-UHFFFAOYSA-N 433.428 0.955 50 20 ICGD C[C@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756003777 WMRBPKOIRMIJLS-LLVKDONJSA-N 432.868 0.113 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@@H](C)O1 756840240 UVTFJUCRUCVDRO-ZIAGYGMSSA-N 448.455 0.890 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNc1cnccn1 760517546 OFULFRIKTDDTPR-NSHDSACASA-N 446.411 0.551 50 20 ICGD CCCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 762522010 CNUNJNIQQSVZRZ-HNNXBMFYSA-N 427.523 0.754 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 763439792 STNUNHGCRGACOY-UHFFFAOYSA-N 426.451 0.185 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc4ccccc4cc3O)cc2)c1=O 763523596 WJSHTARHWDDRFA-UHFFFAOYSA-N 446.423 0.830 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccnc12 763781838 ZSLPMAHZZQLDDY-UHFFFAOYSA-N 431.430 0.384 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cn1 763895723 QMJIVHUIEQGWGH-UHFFFAOYSA-N 436.469 0.379 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 763995311 GQKVACYQDSUAKQ-ZDUSSCGKSA-N 435.506 0.643 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccn(CCN2CCOCC2)n1 764065182 UTZNKORSMVLXDT-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc2)CC1 764198911 LKTJVCXQGDQSTK-UHFFFAOYSA-N 446.552 0.419 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764319978 VQVXOXZJWROYCR-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccccc2OCc2cccnc2)n(C)c1=O 764818767 VDSCKJVHFGZJSV-UHFFFAOYSA-N 447.455 0.558 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(C(C)(C)C)cc2)n(C)c1=O 765730509 LPAGFVNFQFZEST-UHFFFAOYSA-N 426.477 0.121 50 20 ICGD Cc1cccc(F)c1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 770815231 LPJGCFVMEHPVFA-UHFFFAOYSA-N 449.464 0.336 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2cnc(C)s2)cc1 772622548 KQQBWYQCRCFXCU-UHFFFAOYSA-N 425.536 0.954 50 20 ICGD CCOc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OCC 783427262 QTLIFTQCNNEYID-QGZVFWFLSA-N 444.466 0.529 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785068577 XLFKLUAZVHJFMW-UHFFFAOYSA-N 439.428 0.605 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 787541226 ONKBGNFCEUHFCL-UHFFFAOYSA-N 428.493 0.932 50 20 ICGD CC(C)(C)OC(=O)NCc1cc(NC(=O)C(=O)NNC(=O)CO)cc(C(F)(F)F)c1 787549347 MDDLSFLCOFFPBW-UHFFFAOYSA-N 434.371 0.808 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cnn(Cc2ccccn2)c1 789812821 NZCROJLVDQLUEG-OALUTQOASA-N 434.456 0.985 50 20 ICGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 789871324 GZRIDNHUEHKCIK-KRWDZBQOSA-N 428.474 0.642 50 20 ICGD NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNc1nc(-c2ccncc2)no1 791342808 DNNPRPZBSNIMDK-CYBMUJFWSA-N 429.824 0.902 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794074879 DBCIQPSNXIMQHO-UHFFFAOYSA-N 448.501 0.981 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 795168040 FWPKFNWBTLPKGD-UHFFFAOYSA-N 438.487 0.225 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 798272884 LDGLFUGBAIEDLK-UHFFFAOYSA-N 436.446 0.716 50 20 ICGD NC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 799519281 FVUQTUQALIYVNS-UHFFFAOYSA-N 442.247 0.900 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 799859478 HYVAYQANIZHAFI-JOYOIKCWSA-N 435.300 0.320 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)Nc1ccc2c(c1)OCO2 802097294 IXMVIKXHWSXCID-UHFFFAOYSA-N 429.345 0.902 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(C)cc1Br 806979773 DNTZFHGIRVRCGH-LBPRGKRZSA-N 444.238 0.045 50 20 ICGD Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 913229299 WRDOGPYYWPBDCO-XLXASQRYSA-N 431.514 0.777 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c2ccccc2c1=O 914846744 XOUVLTITSMZKFO-UHFFFAOYSA-N 433.446 0.335 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@H]1CCCO1 915879523 JWLDPXAGDNYCBR-MRXNPFEDSA-N 440.522 0.150 50 20 ICGD COC[C@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915888148 PTBAKTNQCHYVOB-AWEZNQCLSA-N 428.511 0.005 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1778637402 HMJOOJMCZZVXCC-NRFANRHFSA-N 446.483 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778693891 FPEMSDUVTFCXEX-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028051 ADHASNSUQLNFNT-QFIPXVFZSA-N 438.488 0.400 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 1780263365 AGUACDMKKHXUFR-RXULLKCLSA-N 427.465 0.296 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1781858174 GISKBVNUFAJUFD-ZBEGNZNMSA-N 426.297 0.463 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1781900471 RBCRASDUTVEIRA-PMUMKWKESA-N 444.374 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccncc1)C2 1782212333 TWZNYGFWMLMNIA-XMSQKQJNSA-N 431.537 0.511 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787044943 JUQPZHUXZMKPNG-SDADXPQNSA-N 427.343 0.973 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 1787775905 XDOVHMPDKUHHNF-QAETUUGQSA-N 438.912 0.887 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791154147 OHXMYXALTLYXPL-QTVXIADOSA-N 433.933 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21 1791289252 QHFZJJOIICNYGX-RYLXDESZSA-N 432.521 0.073 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3Cl)C[C@@H]21 1791291100 LICSLRBKZFNCMH-QRTARXTBSA-N 437.928 0.701 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1792872178 PQEDNNBEOADCKN-JRATXPSKSA-N 441.326 0.735 50 20 ICGD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1OC 1792980481 QDORENKIIDQURR-HRJSJKBJSA-N 426.897 0.815 50 20 ICGD CC(C)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796187896 KDEPNKFQFFFUAB-WKCHPHFGSA-N 427.354 0.739 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1797183598 IYZNXHHDZPBINK-HIRMHNASSA-N 435.908 0.222 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797303168 MUMVAEIDOKZZAS-SFNKJDCFSA-N 428.961 0.148 50 20 ICGD N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1cccnc1 1799346308 PADDGZNDANJMMC-AKIOZOGOSA-N 429.290 0.752 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2)[C@H](F)Br 1799350265 WITGHNWTEINKNF-DJBIQUGXSA-N 431.262 0.559 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1OC)C2 1800639417 VFWKVTSFLGHDSS-RNJOBUHISA-N 427.299 0.862 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1802099879 YCECSIWDRAQLFH-DFYYWFRZSA-N 437.500 0.692 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cncnc2)[C@@H]1c1cccnc1 1805790995 OBHRHMHRNNRVST-BEFAXECRSA-N 446.471 0.504 50 20 ICGD Cn1ncc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1Cl 1809978042 PYALKRHTRHNTNS-UHFFFAOYSA-N 444.728 0.912 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)no1 1810976356 BRSFTOPRKVKPKK-KXBFYZLASA-N 436.233 0.088 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1 1813071198 PSUNCVLRJHZZAT-UTKZUKDTSA-N 427.509 0.357 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2 1814808088 OPRDNLUJPGIDSY-OKTBNZSVSA-N 436.307 0.338 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)cc21 1814871930 DPUATQRKHRNNOW-DZGCQCFKSA-N 449.899 0.645 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCO1)CC2)c1cccc(B(O)O)c1 1815347596 GBNMUAKDYNMCIL-GDBMZVCRSA-N 429.307 0.618 50 20 ICGD CCn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1816555282 NILRDGFJGCJTKC-SFHVURJKSA-N 436.281 0.926 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnn1 1821720388 PBTAUVHATHRDEO-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725800 MBHVPSCCCJELQA-UGKGYDQZSA-N 447.919 0.833 50 20 ICGD Cn1ncc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830731851 QVRLJXCQCIXDEQ-XLIONFOSSA-N 436.896 0.243 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830732993 CTBGEDFUWLVPKQ-APWZRJJASA-N 430.860 0.504 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733988 XVCNZNXCPNKVLT-KBXCAEBGSA-N 445.831 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831648801 LIHNHZWWPLKMLF-OCCSQVGLSA-N 443.342 0.941 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832830775 JNMITNUGGCQPLX-KXBFYZLASA-N 429.876 0.209 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)[C@H](O)N1CCOCC1 1835763476 CHGCJSCFPDGIRA-SFHVURJKSA-N 437.368 0.012 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837126647 HTXUXLCBPBGVNN-KSSFIOAISA-N 427.910 0.899 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837710207 NWBBSKRZPKNLHQ-FQEVSTJZSA-N 443.617 0.601 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837715918 RLCQJUMDCBBERI-HXUWFJFHSA-N 441.601 0.307 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838357607 FMKZXXPVGLOJRW-AWEZNQCLSA-N 440.324 0.853 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806122 XPICPZNWFFWDRR-BDJLRTHQSA-N 432.271 0.020 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)CC)C3)C2)nn1 1838831651 XXRRASSAFBJPLM-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630865 WMYZGYBORBUPAB-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1840150513 NBXBNNQRPOCEBI-MGPUTAFESA-N 442.944 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840185638 RBTFHYRCTGFXJX-QFIPXVFZSA-N 443.504 0.001 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840463135 RYJSDKOPMNVSEA-YLJYHZDGSA-N 427.929 0.979 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ccc3nc(Br)nn3c2)C1 1843127295 CIYIIZHCCQXHIV-LLVKDONJSA-N 442.701 0.909 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2)NC(=O)NCc1ccccc1 1845038316 PFXRTWPSRQKXFQ-INIZCTEOSA-N 437.928 0.136 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 11671861 QYFWIOZFSGPQJK-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14842861 NSJMUFDMNLYWIL-UHFFFAOYSA-N 438.440 0.293 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 21199939 BVJNYJJOLQSCRH-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)NC(=O)c2cccs2)cc1 26772748 UCCVHLIUAHOBJB-ZDUSSCGKSA-N 438.531 0.643 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 727350919 XPIFKTPTFICIIY-UHFFFAOYSA-N 449.514 0.522 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 727761493 JMDSMLWEIXRPQL-UHFFFAOYSA-N 434.474 0.581 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 727764619 DDISKAJJJDJHDU-UHFFFAOYSA-N 434.507 0.533 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 728312109 BYSIGXVGZONTBP-UHFFFAOYSA-N 445.295 0.465 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730812233 LXCLRUVGIYJGPY-UHFFFAOYSA-N 438.414 0.354 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)COc2ccccc2O)c1 730822047 QQYWQUSMPRMBKW-UHFFFAOYSA-N 436.490 0.988 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cn1 735702998 DVCCSKNMUZAKLY-UHFFFAOYSA-N 442.501 0.747 50 20 ICGD C[C@@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 738309629 OMMMETJNPRYXAU-IAGOWNOFSA-N 432.525 0.846 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 740852028 HRZUJFRHEXFLDH-UHFFFAOYSA-N 440.522 0.082 50 20 ICGD CC(C)OCCCn1c(NNC(=O)C(C)(C)NS(C)(=O)=O)nc2ccccc2c1=O 742075543 BIYZSIGBQZDHBW-UHFFFAOYSA-N 439.538 0.983 50 20 ICGD O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745421867 UELLRVRHCAJVBG-UHFFFAOYSA-N 443.416 0.917 50 20 ICGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 745864239 MUNKRFMUXAIOQI-OAHLLOKOSA-N 442.538 0.857 50 20 ICGD CN1CCN(Cc2cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c2)CC1 746269675 FYDHXMOSAYVCDM-UHFFFAOYSA-N 434.541 0.903 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751206499 IIFYHXNNKLTODZ-UHFFFAOYSA-N 436.490 0.810 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 755414439 UZRZEIOQANJUFM-UHFFFAOYSA-N 449.489 0.507 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2Br)c1 757805404 JREOFFQETWXUND-UHFFFAOYSA-N 442.295 0.983 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)cc1Br 758030715 SUZVORNRFMDFIW-ZCFIWIBFSA-N 443.117 0.910 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 758045518 OUEUWPHQTHRBMO-BFHYXJOUSA-N 434.559 0.935 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 758047307 LFUOAQGMIJQYBT-WMLDXEAASA-N 432.502 0.633 50 20 ICGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc21 760224006 SZLSYODNIZMSAH-NRFANRHFSA-N 444.513 0.701 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 761195805 OQBFLYQXIHAKDM-CYBMUJFWSA-N 446.485 0.889 50 20 ICGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763511413 CWCBCXMIMBPRRU-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1=O 763532778 VSZHQSINNKQOEL-HXPMCKFVSA-N 440.501 0.342 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 763601132 OXBWSECPNDBJHH-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)c1=O 763785760 QWKGOTJTEJMKGW-UHFFFAOYSA-N 426.458 0.521 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763870697 BLDJRDGLVNDIJH-CYBMUJFWSA-N 443.435 0.315 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 763918725 HFCYLAQITDCCLY-UHFFFAOYSA-N 448.476 0.389 50 20 ICGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 764432655 IMYSJVFUJCALFN-UHFFFAOYSA-N 449.370 0.895 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n[nH]1 765582613 DQULLBLBSJWWGO-UHFFFAOYSA-N 449.489 0.351 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766661484 CXTGZRUNWLAMGC-UHFFFAOYSA-N 432.506 0.452 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 767235497 HZJDJDSKCRFMJA-UHFFFAOYSA-N 444.469 0.078 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767890847 QSJJVZKYYZWVMK-UHFFFAOYSA-N 426.477 0.304 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2c(C)cnn2Cc2ccccc2F)n1 769264030 APFQHFWZXUDSGW-UHFFFAOYSA-N 427.440 0.978 50 20 ICGD CC[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1OCC(=O)NC 770352242 VSCZGEPLFWVTQK-CYBMUJFWSA-N 428.453 0.971 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2F)c2ccccc2c1=O 770465400 BABCAMKWEBKTKU-UHFFFAOYSA-N 447.448 0.668 50 20 ICGD COc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1S(=O)(=O)NC(C)(C)C 770974534 UYMZCOZHKMGBDS-UHFFFAOYSA-N 449.493 0.911 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 771941002 POYFXYQBUAMQEJ-NSHDSACASA-N 435.449 0.758 50 20 ICGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 771950952 VXEQPTGURKHOQZ-UHFFFAOYSA-N 444.286 0.523 50 20 ICGD Cc1sc2ncc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c(=O)n2c1C 775713044 GAZQXHAUVKKSJI-UHFFFAOYSA-N 427.490 0.840 50 20 ICGD CN(C)c1nccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 776070639 YLSLOCBRJADVJK-UHFFFAOYSA-N 447.521 0.471 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(O)(CN2CCOCC2)CC1 779603675 JKMIRUHIHXPZMV-UHFFFAOYSA-N 440.928 0.269 50 20 ICGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780155115 TVGQZFKFRGCZMH-OWCLPIDISA-N 438.550 0.730 50 20 ICGD O=C(NNc1ccccc1F)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 782706182 REWMVQWCBHZCMJ-SFHVURJKSA-N 428.420 0.922 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c(C)cc1C 788334541 XBCYYLSOAFPCSU-UHFFFAOYSA-N 427.417 0.843 50 20 ICGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 789585072 WQIYCEKBXGMTAW-GFCCVEGCSA-N 435.234 0.942 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 792856512 ZTXMYFGWMGSWLH-OAHLLOKOSA-N 433.552 0.708 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 794064561 ZWSIAEKMTVRLQY-UHFFFAOYSA-N 439.428 0.426 50 20 ICGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794597427 SVHOQLMYIBCVAX-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795168716 CEYSTAHQYCXJQG-UHFFFAOYSA-N 442.519 0.876 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NO1 798954622 YMTKFNMZYAIQKF-AWEZNQCLSA-N 447.496 0.510 50 20 ICGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 800830831 KDPAVEIBZCFLOV-CQSZACIVSA-N 441.531 0.764 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)n1 803469348 JWSWELGSLHJZDP-FQEVSTJZSA-N 446.485 0.092 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(-n4ccnc4)nn3)cc2)CC1 807428672 ICBZEWSORSMTFO-UHFFFAOYSA-N 435.492 0.886 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 810346546 RVJJIYBBAQXJNT-UHFFFAOYSA-N 444.441 0.976 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)n1 810386597 IXBCQXRWMLAQMM-UHFFFAOYSA-N 425.792 0.898 50 20 ICGD O=C(CNS(=O)(=O)c1cccs1)NNc1nc(Br)cn2ccnc12 810484935 PQKYWLWYXNZIHL-UHFFFAOYSA-N 431.297 0.975 50 20 ICGD Cc1c(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)nnn1-c1ccn(C)n1 814364668 KOINQEYPFKZFOF-UHFFFAOYSA-N 435.448 0.675 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)Cn3cnc4ccccc43)C2=O)cc1 920438265 SJWFXQGYNBGERL-QFIPXVFZSA-N 434.456 0.959 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)NCCc2cccs2)cc1S(N)(=O)=O 920859773 ADFOCTKQLCNIQK-UHFFFAOYSA-N 430.483 0.659 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Cl)s1 1319097387 HPPSIRFHYNLYRE-UHFFFAOYSA-N 444.922 0.777 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041643 JGYACBGRIXSZKD-BLLLJJGKSA-N 435.388 0.474 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780648402 WRMMREMGRSFLRL-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)c1 1780866703 HBTKXLJNTKVZJV-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD Cc1noc(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209564 ZVPRUCCBZKBNDM-XMSQKQJNSA-N 449.552 0.721 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782279163 AOUYLVVGYPULPC-BLLLJJGKSA-N 431.262 0.800 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)C[C@@H]21)[C@@H](O)CCl 1784086154 VNMHUSTWHFUXND-SPCJURDBSA-N 438.908 0.796 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C[C@@H]21)[C@H](O)CCl 1784091157 KKKQHZABHUIMGZ-ZZCKCESHSA-N 433.896 0.665 50 20 ICGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785223421 PSSLABOLHRBFFV-IIBYNOLFSA-N 447.875 0.159 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(O)c1 1786982105 MHGQJULQWICHAO-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792872062 KYEMIKSDSNMBOC-FMSGJZPZSA-N 435.388 0.091 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796106750 MOYUXNVGVHFOCK-UMPJEAMMSA-N 436.896 0.423 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn(-c2cccnc2)c1 1796190893 YTMCAXNBYQCXRN-ACDBMABISA-N 445.288 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1796444207 FCOYGFNYKCHYEJ-ODRBZYGGSA-N 444.536 0.196 50 20 ICGD CCN1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798442685 NBEAIQZQMMNPFO-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2)[C@H](F)Br 1799346089 BAXXVCLIIBBXSM-PKCZLINISA-N 426.246 0.852 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H](F)Br 1799349959 OSYPSPXVVPZDDY-OCVGTWLNSA-N 431.302 0.965 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1799455846 VCPRFSSXKHAWBF-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C 1801010682 PZGRODKSOVYODR-BBIADKPPSA-N 430.549 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)OC(C)(C)C 1801958104 KFWRYUSPZPZUES-FQLMCAECSA-N 433.933 0.745 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805522705 CJTSAKWRNGCKST-HNNXBMFYSA-N 435.974 0.243 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2csc(N)n2)[C@@H]1c1cccnc1 1807241301 QWLKZEZWSRTLFU-KDOFPFPSSA-N 445.549 0.813 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1813074048 OFCGWKDBXACVQK-HRAATJIYSA-N 440.504 0.875 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc2n(n1)CCNC2=O 1816622363 FMQOSSQKRSGQFE-JSGCOSHPSA-N 435.872 0.255 50 20 ICGD Cc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817470962 NXKJDCVAEDSFHB-GOSISDBHSA-N 434.265 0.808 50 20 ICGD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819543826 GGRJDICCHFULKZ-GDBMZVCRSA-N 445.528 0.703 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccncc1O 1819672223 DZKCNDVIVABVMZ-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD O=C(CCc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822821994 RAJNDEMFWNDSHB-IBGZPJMESA-N 448.292 0.818 50 20 ICGD O=C1OCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824332232 BMEQBPDRSWUPIE-IBGZPJMESA-N 443.309 0.052 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)sc2C1)c1cccc(B(O)O)c1 1824651881 ZBYPXWYPUXOPSC-GFOFROLCSA-N 441.343 0.924 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830370165 JTAXSKNOTFZSIP-LJQANCHMSA-N 432.949 0.081 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831816298 UFTCRYWXURYFRB-SGTLLEGYSA-N 443.342 0.890 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015076 KMDHNXZNPRLTIS-HXUWFJFHSA-N 441.912 0.023 50 20 ICGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CCC1=O 1832380868 UYKIQJSLQLUNJY-ROUUACIJSA-N 449.335 0.287 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833094545 MDAQBVRABVWGQT-PBHICJAKSA-N 429.315 0.431 50 20 ICGD CC(C)n1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1C(=O)O 1833606404 HOKWVUVWCLXQCG-KDOFPFPSSA-N 446.863 0.767 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376676 CQFJHBSINKXSBK-HXUWFJFHSA-N 427.618 0.780 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1835832723 RBXYMTUYZCBUJR-BLLLJJGKSA-N 447.349 0.939 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837497 KFCQXFHECJTRPL-KRWDZBQOSA-N 441.649 0.856 50 20 ICGD N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1837790763 GQZVDROZUGRCAB-UHFFFAOYSA-N 425.294 0.282 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C(F)F)n1 1838710249 RNYBYPYIWZLQOD-CXAGYDPISA-N 436.843 0.256 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838983134 JTSUWSAWRGYRQB-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839199733 SNSSUYSKPBBMPQ-GOEBONIOSA-N 433.278 0.110 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839630871 WXCWTUZRMLWGFH-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839962815 RJFNZZNWXYAPIN-KSSFIOAISA-N 441.326 0.649 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840031049 DXSZYBBPTCIGGB-CXAGYDPISA-N 427.299 0.259 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034030 YEMWHVQJWFYLNF-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840036760 QYTKUFZJEMYOJV-ACJLOTCBSA-N 442.310 0.570 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840152414 HQIRDFRBZLJKSO-UGSOOPFHSA-N 444.941 0.739 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840677445 KZMPWMYQYZILPK-UZLBHIALSA-N 426.897 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784238 MYFIRYVXBBMUGM-OXQOHEQNSA-N 444.887 0.642 50 20 ICGD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)[C@@H](Br)Cc2ccccc2)C1 1845941326 SUSSZNRYETWMSW-HNNXBMFYSA-N 433.310 0.883 50 20 ICGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846389060 YTKHDIGWTJHRJN-UHFFFAOYSA-N 427.325 0.690 50 20 ICGD CCn1c(=O)n(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2ccccc21 10766750 UNLRMWSXHCMTEY-UHFFFAOYSA-N 444.517 0.886 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccccc2OC)n(C)c1 16232953 ADDMNQSDHNHLRO-UHFFFAOYSA-N 438.506 0.904 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 728203770 NLBKUUHROUIUIA-DZGCQCFKSA-N 431.942 0.990 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cccc4ncccc34)cnc21 730203506 BIATUALPLIRKNG-UHFFFAOYSA-N 426.414 0.206 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)Cn3cnc4ccccc43)C2=O)cc1 733775180 ZWGSLIPQWMQYTD-KRWDZBQOSA-N 445.439 0.961 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2c(C)c(C)sc2=O)cc1 734417446 RJSYKFAIXCJUJZ-UHFFFAOYSA-N 440.547 0.693 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(OCC(N)=O)c2)CC1 734825445 FTBJHRBINOIGAW-UHFFFAOYSA-N 435.481 0.894 50 20 ICGD Cc1ccoc1C(=O)NCCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 738475195 KHPAHUKDPXXQRV-UHFFFAOYSA-N 429.481 0.745 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 740812728 YEFODSAAXGFPFI-UHFFFAOYSA-N 448.567 0.598 50 20 ICGD CC(C)CCn1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nn1 740926487 ASEVEHWHCDWTME-UHFFFAOYSA-N 436.542 0.412 50 20 ICGD O=C(NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccc(-n2cnnn2)cc1 742481253 TXOBWDMARFWTND-GOSISDBHSA-N 425.424 0.636 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(S(N)(=O)=O)c1C 743830844 LAKCAZHGZMQCKO-UHFFFAOYSA-N 440.503 0.821 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1OC 745919671 VKMFQHMSCJKOME-SWLSCSKDSA-N 430.465 0.965 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F 746743647 IMIYVTVNVZSSPW-QGZVFWFLSA-N 439.398 0.781 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 750664329 ZSZILUDSFQYWTJ-UHFFFAOYSA-N 439.494 0.265 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 751208317 BUGNMKUJPPUMDB-UHFFFAOYSA-N 426.476 0.121 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1C 753020227 PMQQLRVWOCDYRO-RNODOKPDSA-N 430.465 0.293 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 755423732 PXIZOCRQEVOGOC-TXEJJXNPSA-N 436.494 0.983 50 20 ICGD C/C(=C\c1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756003390 PGWVFMQPQDTSTD-DHZHZOJOSA-N 430.852 0.338 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccccc2CN2CCNC2=O)c2ccccc2c1=O 757926770 OEDBDXOLBXLVMB-UHFFFAOYSA-N 435.444 0.925 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1Cl 759088452 DTUJHAOCWYQRKO-QMMMGPOBSA-N 425.872 0.026 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)C[C@H](O)CO)cc1 760015383 TXDRROGJXIXHMR-KAKTVLCNSA-N 427.461 0.153 50 20 ICGD COCCOc1ccccc1N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 761186167 UZXOGKWOMHDXKE-UHFFFAOYSA-N 447.561 0.989 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 763550717 KGMJNGPFYFBRHJ-UHFFFAOYSA-N 430.417 0.960 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)ccc1Cl 763663359 RZQNMRBUHNQPTR-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c2ccccc2O1 763665848 PHYZDMYPOGBJCV-SFHVURJKSA-N 441.440 0.797 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763683140 UDERSVIFGHHTNP-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 763704676 HKWSUBMZESKUDA-GOSISDBHSA-N 446.485 0.897 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 764268171 YOUIVKUJXSHMKE-UHFFFAOYSA-N 442.476 0.886 50 20 ICGD C[C@H](c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1)N1CCOCC1 764277026 GGLCFUCQSNDDDM-OAHLLOKOSA-N 442.472 0.950 50 20 ICGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)n1 764279736 DPCVWYUZEULMDF-UHFFFAOYSA-N 440.254 0.787 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1ccco1 765381122 FPHUMNYOSKVQNS-UHFFFAOYSA-N 427.461 0.286 50 20 ICGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 766280982 XBJZNBDGWJMDPW-HZPDHXFCSA-N 437.522 0.330 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2[nH]c3ccccc3c2Cl)n(C)c1=O 766643864 LHNVGTFQYWQJNJ-UHFFFAOYSA-N 429.824 0.030 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 767849683 IWMZEYRCYJHUEA-UHFFFAOYSA-N 438.325 0.957 50 20 ICGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 767852325 WWHIDRKCQNKPLS-UHFFFAOYSA-N 446.276 0.722 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1C 770118540 WQIIZMKCRGJOAC-CQSZACIVSA-N 433.552 0.887 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)c1 770401177 KGABQEFAFXPZBB-AWEZNQCLSA-N 442.436 0.518 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2)c1 770402174 PCFLFKRXMRVACA-LLVKDONJSA-N 428.453 0.991 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 773496793 OJHVGGIBBXLYRX-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc1Br 778713504 KQCGQSJASBOFEW-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 780520253 HMHZYFSYOUTYTO-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CCS(=O)(=O)C1 783428736 WTEZWGQDLVXJTA-FQEVSTJZSA-N 434.518 0.512 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n(Cc2ccccc2)n1 784003161 AVZDIAHUKWVWAF-UHFFFAOYSA-N 440.485 0.817 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2Br)CC1 787888493 AFCXXGOSBIQXPH-UHFFFAOYSA-N 449.309 0.929 50 20 ICGD CN(C)N(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 792853220 CNKKUNXOYBLKMA-RHSMWYFYSA-N 449.533 0.029 50 20 ICGD O=C(COC(=O)c1cc2nccnc2cc1F)NNC(=O)[C@@H]1COc2ccccc2O1 795872327 LOAPCYZYNVYBBX-KRWDZBQOSA-N 426.360 0.913 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800625312 NJLHVRSGANRZOH-LLVKDONJSA-N 425.747 0.782 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 803873117 UEOYVFOVTFSIHY-DOMZBBRYSA-N 437.449 0.678 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 806973833 LLOLQHATBWFITJ-UHFFFAOYSA-N 432.408 0.367 50 20 ICGD Cn1c(CC(=O)NNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)nc2ccccc21 807541715 SNSOUHQNISBTPL-AWEZNQCLSA-N 428.415 0.709 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 813575989 IMHGZNCIUNZCRC-UHFFFAOYSA-N 445.501 0.592 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 814835373 PIWYGOQCOOAIRM-ZDUSSCGKSA-N 449.514 0.661 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1I 814842146 TYBRNUCUWVTCKY-UHFFFAOYSA-N 428.186 0.871 50 20 ICGD COc1ccc(-c2cc(C(=O)NN=Cc3nccn3S(=O)(=O)N(C)C)n[nH]2)cc1OC 814878257 UUALAJKVJBJBST-UHFFFAOYSA-N 447.477 0.709 50 20 ICGD O=C(NCCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 916514843 PRADLNZGSHZMRV-HXUWFJFHSA-N 425.489 0.979 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C(=O)N(C)C 916577485 DLIZWFUXGBYOGI-AWEZNQCLSA-N 436.476 0.809 50 20 ICGD Cc1cc(N2C[C@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)ccc1Br 916758806 NGGWMWPOSCXZBY-GFCCVEGCSA-N 437.294 0.880 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1 917109101 ZVVDXOULUSVKKX-UHFFFAOYSA-N 442.453 0.123 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccsc3)CC2)cc1OC 917166938 IHDUEYDMJZVTLY-UHFFFAOYSA-N 432.502 0.984 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2)cc1 919687303 PRPIFAOIHFSZNY-IRXDYDNUSA-N 443.591 0.888 50 20 ICGD O=C(NNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919889866 VQWPORUGOCJHGF-SJORKVTESA-N 430.486 0.675 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2c1=O 920285258 MOXOCGOYBQBGFO-UHFFFAOYSA-N 448.439 0.649 50 20 ICGD CC(=O)Nc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)ccn1 1778400193 KVUFRYCYOIOKGK-RZQQEMMASA-N 438.912 0.767 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778971518 PNCBPJCLUCBENE-ZHEFCJAMSA-N 445.520 0.523 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1779030452 QQNIVZVEFOXPSW-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779077995 KLFQWDCQWQVCJH-TZIWHRDSSA-N 448.350 0.070 50 20 ICGD N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CC1 1779373429 QUUSPUOMXHRDDJ-IIBYNOLFSA-N 426.477 0.116 50 20 ICGD O=C(c1ncccc1Br)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779650007 XSGRNVUJVTZVRE-BLLLJJGKSA-N 432.702 0.887 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872942 IBPCTBPWBDHZGM-DIFFPNOSSA-N 440.298 0.050 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997538 ARYXVZWRXYHHLG-MJXUCMMTSA-N 448.358 0.435 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210302 NWSVVTYGLLFHBR-VXIWKAIFSA-N 426.558 0.280 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2)n1cnnn1 1782605972 FIVAXXBTESCVHI-OQMKEHIESA-N 429.319 0.531 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933614 RWKPRGFUSMQFGE-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786873848 BDYZANAFWVRBOV-VRUQUDLLSA-N 425.327 0.845 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21)[C@H](F)Br 1789922055 BEYLTIHVCRJSPB-QCQGSNGOSA-N 430.274 0.519 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(O)c1 1791925974 AKUCBDUTSWBEQM-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871326 VBZWHYKDDFUSJW-AQDIXCGQSA-N 432.359 0.912 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794427680 TXNHNBIIJWNLTD-FAXLKDOZSA-N 429.926 0.706 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CC(c2ccccc2)=NO1 1796189975 OTIWHIVHMMWUJS-XAPVIXHLSA-N 447.300 0.811 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CNC2=O)c1ccc(B(O)O)cc1 1798219280 ULQCLIXDNZMIOS-REPLKXPHSA-N 433.273 0.175 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)cccc1F 1798797715 IIIFPBCCDSVWHF-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1F 1798871225 YSOWXRVSRIYHGQ-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]cnc1-c1cccnc1)c1ccc(B(O)O)cc1 1799183168 FAQUFBUHGZYGQR-REPLKXPHSA-N 445.288 0.717 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1800642156 YVITWLHRGATDCT-NWJSVONSSA-N 427.299 0.862 50 20 ICGD COc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012674 FIYJXXGMMAXBHR-MZQSNBHTSA-N 444.532 0.671 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801300773 OLMDVDAKZAAJES-NOHGZBONSA-N 432.344 0.660 50 20 ICGD CC[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1801801324 DTKWHJYEWHANRV-YYIAUSFCSA-N 443.386 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccnc2)[C@H]1c1cccnc1 1805883488 OAOOTPKRTPLXJE-LAUBAEHRSA-N 427.509 0.357 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369740 UBUSTCPCUWFSMB-RXVVDRJESA-N 445.288 0.493 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374842 JYHMZEQTUBWOEI-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809715157 KPJZSTQIIBMNBZ-CRAIPNDOSA-N 430.553 0.903 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1c1cccnc1 1810302986 ODGAMMOSJLUUDY-KSSFIOAISA-N 434.460 0.437 50 20 ICGD Cc1noc(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355506 UREGUENSMBLQGJ-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815580837 BZXPVZKHWUMPNS-GOSISDBHSA-N 441.297 0.264 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)s1 1817474254 BOYUIBMHPWWAQN-AWEZNQCLSA-N 440.294 0.748 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477376 WMSFSUUBVYBPGT-SFHVURJKSA-N 436.281 0.601 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819532918 VEFHAFHSZLQDCX-MEJMFZKBSA-N 448.549 0.263 50 20 ICGD Cc1n[nH]c(C)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820310657 SDTVJMMWIWQVDO-CQSZACIVSA-N 439.306 0.702 50 20 ICGD Cc1cn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)c(=O)nc1O 1824187416 HZYNUZAGNPEDJT-CVEARBPZSA-N 440.928 0.477 50 20 ICGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](F)Cl)C2)C1 1828523388 NWIULEVRPYWKOT-KUHUBIRLSA-N 443.859 0.284 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364410 IZZBPGUPHKOBDR-KXBFYZLASA-N 427.933 0.636 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719294 BPDSLCXPEPAWIJ-YLJYHZDGSA-N 446.878 0.954 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2ccccc21 1830727943 LFRGEOQZBQGBCQ-NQIIRXRSSA-N 435.908 0.848 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735809 NLKBAOGSVRAGCT-AUUYWEPGSA-N 440.859 0.143 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488949 ZUAFFDRJQXEIDH-IBGZPJMESA-N 443.661 0.744 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831643340 AXJWUONWVSPTOU-KUHUBIRLSA-N 428.917 0.906 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831830579 UFBGRWYMYXRLQS-LSDHHAIUSA-N 439.877 0.585 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066440 FWKQAIKHZJDZTI-VKJFTORMSA-N 432.359 0.711 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834647251 APUDZLJZRCMIIL-ZHNJOBQTSA-N 445.520 0.767 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826669 SWDCEKYTOAVSFT-QAPCUYQASA-N 448.358 0.533 50 20 ICGD O=C(CCCCn1cccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837617394 JDJLMCLJMOPQOV-PXNSSMCTSA-N 427.929 0.715 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838544944 BQJCOQPAPRUQOZ-UHFFFAOYSA-N 434.541 0.703 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)c1 1838904682 AJLKRBLMPPHOGE-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839146786 WLDLDCUTPIAGHN-VLIAUNLRSA-N 449.895 0.177 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839962872 UESBXZMWQCSOOA-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030238 GJUAOMROADNQGR-DYVFJYSZSA-N 434.331 0.095 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030613 QDMUNOFQICIJKK-ACJLOTCBSA-N 448.358 0.389 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840032478 ZOCGOTJYWVCOST-YVEFUNNKSA-N 429.267 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840151663 JYOVQHKNSXSOES-QFBILLFUSA-N 429.876 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840153942 GGZUWAVVDFTNCN-LAUBAEHRSA-N 443.972 0.715 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840190990 ZBJCHCSQGCBZGM-KZULUSFZSA-N 431.320 0.775 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841348206 OQQGQPPVFMPZFF-MRXNPFEDSA-N 435.908 0.570 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013840 UNAOZQZIGASYPI-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 14870839 ZMDUKYHKDJVCSU-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD COc1ccc(OC)c2c1CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C[C@H]2O 115320189 VMKQNJQAAPAQPD-OAHLLOKOSA-N 430.417 0.922 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 726281614 APCSJZHRAYIEJF-OAQYLSRUSA-N 441.444 0.659 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 731500450 FHFZTJNQAXUSQQ-UHFFFAOYSA-N 437.478 0.661 50 20 ICGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731956348 WIZICNMZPLJTJY-UHFFFAOYSA-N 435.462 0.353 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1=O 734239266 KRXKXFDQQSKRCX-UHFFFAOYSA-N 448.480 0.038 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1 734239550 FKBUVMKXNZBEPC-UHFFFAOYSA-N 449.574 0.683 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC[C@@H]1c1ccc(C)o1 736460595 ZMRFJUQBWANEMS-MJBXVCDLSA-N 427.479 0.832 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 740852126 LURGPNIKGZQSAN-UHFFFAOYSA-N 444.579 0.917 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[S@](=O)C(C)(C)C)cc1 741415457 LVVLEMRYRQFXAQ-MHZLTWQESA-N 432.568 0.493 50 20 ICGD O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1c(N2CCOCC2)nc2ccccn12 741805655 SUCOQWKSDBNVPU-UHFFFAOYSA-N 431.460 0.975 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(C)o2)cc1 752523101 OAHCCCGMTUBIOE-UHFFFAOYSA-N 436.490 0.810 50 20 ICGD O=C(Cc1c[nH]c2cccc(Br)c12)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 753959016 RAHDOGSQNDLZNR-SNVBAGLBSA-N 429.296 0.990 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1OC 753965835 IFIQMASLZIOBJW-UHFFFAOYSA-N 440.522 0.995 50 20 ICGD CC(C)C(=O)NCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757665661 XKXFUWLETAYVQZ-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 757747361 IMKWGCQOAJMMOJ-SECBINFHSA-N 434.400 0.982 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 757871152 DXVBQHAHUVYZPU-BBRMVZONSA-N 449.489 0.852 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNc3nccc(N4CCOCC4)n3)CC2=O)cc1 762867227 UVGBVQYCVREQIK-INIZCTEOSA-N 426.477 0.814 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 763773104 VCFQBBDWGZJPCD-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921068 HDQHOCNXGOXWJL-UHFFFAOYSA-N 443.395 0.226 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc(Br)c1=O 763974711 WHAMFXFKDFTNQS-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)cn3C)cc2C1=O 764004297 CHGRDSCPZIVDHG-UHFFFAOYSA-N 448.233 0.413 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1)C(=O)C(F)(F)F 764264033 OBYWSOLEUOFCSQ-UHFFFAOYSA-N 437.378 0.931 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764331022 MBVFNESCDAHESW-UHFFFAOYSA-N 435.396 0.884 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764350043 ZBTLXGGISHIKQS-UHFFFAOYSA-N 433.852 0.945 50 20 ICGD COc1nccnc1NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764623729 PNHNYWNXBQAKGF-UHFFFAOYSA-N 426.430 0.794 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(F)n3)CC2)cc1 764753017 QGGFMHJOPGIHKC-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1 765588901 RPMOUYIXYCEQOD-UHFFFAOYSA-N 439.494 0.076 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)c2ccccc2c1=O 765641884 PLANGRHZDRVCKQ-UHFFFAOYSA-N 428.493 0.786 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2ccc(C(F)(F)F)cn2)n1 768242529 RWAWAGDIYVEQFH-LLVKDONJSA-N 442.354 0.096 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 769741900 MTBCLSJTMWGWIX-UHFFFAOYSA-N 426.476 0.941 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)nc21 770338687 AEJMJSRCMYWJNH-UHFFFAOYSA-N 429.460 0.656 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(O)nc(C3CC3)c2)CC1 771734876 JNWLYZDSQRZMJB-UHFFFAOYSA-N 432.506 0.753 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1S(=O)(=O)N(C)C 773087957 OBEWPMZVRROPIG-UHFFFAOYSA-N 435.462 0.374 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)nc1C 778428953 FXUAFWQRYKVWKV-UHFFFAOYSA-N 436.469 0.484 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 784002035 JSFQRFKKRWCXED-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 784004714 PXJTWSXFQPVBQI-UHFFFAOYSA-N 427.417 0.095 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 792798328 RQNLJOXUEIEHML-FQEVSTJZSA-N 432.477 0.445 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2cccc(C)n2)c1 793219869 HRVOMYPJWWSDTI-LBPRGKRZSA-N 434.478 0.269 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)nc1 797652476 HEEMTTXVZBBUTG-UHFFFAOYSA-N 444.514 0.790 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)cc1 802026280 CVBPPYVKDWYNRX-UHFFFAOYSA-N 433.490 0.766 50 20 ICGD O=C(NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)NNC(=O)c1ccc(-n2cnnn2)cc1 802334089 SZIDYFDOODLUQJ-QGZVFWFLSA-N 448.443 0.734 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812978328 LGYFFKHIVMEZTM-UHFFFAOYSA-N 425.445 0.487 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 815593260 HCQKQLWKMNBCLZ-UHFFFAOYSA-N 449.265 0.343 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc21 815751570 FGJPDVGVRQULLD-UHFFFAOYSA-N 447.473 0.374 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779055 PSXFEKATPWSCPV-OAHLLOKOSA-N 426.495 0.276 50 20 ICGD CN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2C1=O 825169602 DITJIRSOSKNWHH-MRXNPFEDSA-N 439.380 0.057 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 914431972 OMKSQFYOPDRIJY-UHFFFAOYSA-N 428.474 0.459 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)s1 914964401 LTNPERXCSKBKCV-UHFFFAOYSA-N 431.879 0.596 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCC(C)C)N(S(C)(=O)=O)CC2 915884012 OLAKDNSRCLVOHP-HNNXBMFYSA-N 442.538 0.939 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(C)=O)c1 915893756 ASYJBXGFCGUPPM-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD C[C@]1(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCS(=O)(=O)C1 916240700 UHBAJHJVLAFKBQ-SFHVURJKSA-N 444.579 0.742 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ccc(C)cc3O)n[nH]c2n1 918339755 VFBCTHVECMGCDC-UHFFFAOYSA-N 445.509 0.372 50 20 ICGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1 1324027572 WBZQWDLPGGFHFB-IAOVAPTHSA-N 426.477 0.525 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C)C2 1778090990 BBRHIVGUKOYGQV-YMYKSDKLSA-N 432.525 0.196 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264526 WVTFUVOJTDDHEU-YJBOKZPZSA-N 431.375 0.237 50 20 ICGD Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371019 GUUVRZLDVGLYSX-DYESRHJHSA-N 442.476 0.423 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)[nH]n1 1779570641 AZLSMTPKDYIMSJ-QFIPXVFZSA-N 440.309 0.144 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792604 VVJLSESMOWNSMS-QFIPXVFZSA-N 427.505 0.569 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783535852 DAOJBPHTHLTXKT-MAUKXSAKSA-N 443.386 0.380 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)n1 1783946408 NXSQABSQNVOBDE-GOSISDBHSA-N 431.320 0.920 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21)[C@@H](O)CCl 1784095005 ZLTDAENLLHDWIS-QAETUUGQSA-N 430.929 0.499 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784548737 VYLZDABEJBTPRB-IIBYNOLFSA-N 433.509 0.052 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784918250 JTCLNXOSUUKSRR-NAKRPEOUSA-N 448.797 0.575 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1785070013 UMMKIWPWPJVZBV-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789858006 PXFLPCVNMDSZSI-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2)c1ccc(B(O)O)cc1 1795736889 PHJNAXFHRQRAFK-ITEKTMBMSA-N 434.301 0.373 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc2c(Cl)cccn12 1796061198 COXSZVFAFLEVFZ-BAESOJJISA-N 427.288 0.791 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCO2 1797303812 VVGQTUCCCLUISJ-QDMKHBRRSA-N 437.456 0.979 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443100 RXVWXDIXSAENGW-WCXIOVBPSA-N 430.553 0.915 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1 1798443573 JOIYUCXGTSIQRM-JONQDZQNSA-N 425.493 0.703 50 20 ICGD COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1 1799284464 UCFXFDFHCAEEEC-ACDBMABISA-N 433.273 0.812 50 20 ICGD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1799292975 IJWCGMVVVKLBKY-GDFINVHYSA-N 432.427 0.596 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccnc1Cl)C2 1801009486 LQAIWRGLRQUEGE-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1F)C2 1801009623 UACATSGNCYVCJC-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n(C)n1 1805646012 PUTFIXOWBUUBSE-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367593 TUWZOJZCGTUSPV-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]3c3cccnc3)cc21 1808310943 LJFWBPUMQSDANI-KCXAZCMYSA-N 434.859 0.876 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968715 BIUOUUGHSNXAMS-SFHVURJKSA-N 438.337 0.744 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070007 CHGMEFBFSDHKAQ-BEFAXECRSA-N 428.497 0.201 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073657 NBKNLGJXFCAKIQ-UWJYYQICSA-N 439.520 0.873 50 20 ICGD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1815648399 XBFRWXFHMCBJKL-MWLCHTKSSA-N 426.882 0.678 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816671947 WWOHQVHHRTXULW-RRAGMBSWSA-N 426.821 0.029 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474798 GEPKKANEBVUWTF-RDTXWAMCSA-N 427.314 0.736 50 20 ICGD Cn1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1817559722 JEPGWMOHTOKRAV-SFHVURJKSA-N 436.281 0.372 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1820160136 FXDLHNGQJZZHRO-KOLCDFICSA-N 439.570 0.505 50 20 ICGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)O 1820162987 XBWVJHMKDOWCON-ZYHUDNBSSA-N 428.587 0.969 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820846379 JYXHCFWHHCSMCF-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826856938 VVMMKCFSPYTLEO-HXUWFJFHSA-N 429.370 0.988 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)CCC)C2)C1 1829762768 QXYIWYSXYHXKOX-WBJHSIEHSA-N 427.929 0.709 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1830539893 KFNQJEYHOHSQNB-FZKQIMNGSA-N 445.310 0.873 50 20 ICGD Cn1c(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2ccccc21 1830720033 QVWWVVILPBIODA-KNQAVFIVSA-N 449.935 0.777 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835167136 CZKHSMYBXMVDDS-MGPUTAFESA-N 440.880 0.014 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1835755854 QDWCSNXZYYUSAM-IRXDYDNUSA-N 449.907 0.587 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835781006 IXCMEIGIMGPRBV-MOENXHEYSA-N 437.924 0.992 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196171 JTTOWKZFGQMHAP-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1837702911 PSVGVOJBTJXQKK-LBTNJELSSA-N 446.342 0.307 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1837715923 RSQKJDILVJXPLM-FQEVSTJZSA-N 436.585 0.751 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838579179 DLUCINOLBAOZFI-FXAWDEMLSA-N 437.880 0.237 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839715529 HUMYBXNYFHRLLT-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1840788478 LZPFQQMWPNSOSA-OXQOHEQNSA-N 441.887 0.993 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354806 XMUWPINAFHSXLM-SJORKVTESA-N 425.888 0.676 50 20 ICGD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1)C(=O)O 1841924558 ZQPJVAMQPQDDPG-STQMWFEESA-N 446.932 0.385 50 20 ICGD O=C([C@H](O)c1ccccc1Cl)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015102 IYAVSAXPQDSBQW-GOSISDBHSA-N 428.681 0.570 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038218 FTFZBSPYKJKDMV-GOSISDBHSA-N 441.532 0.574 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2c(C)n[nH]c2C)C1 1845268054 IWKGBTPIJYNYBA-MFKUBSTISA-N 425.493 0.906 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1)NC(=O)NCc1ccccc1 1846147667 JXBWHAZAYBGXMI-SFHVURJKSA-N 429.521 0.715 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)cc1 9890029 MQXDMQDWFORPJD-UHFFFAOYSA-N 446.485 0.926 50 20 ICGD CCOCC(C)=NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 726417323 DRQMDZHEHXRAHO-UHFFFAOYSA-N 426.477 0.957 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)n1 728728507 UZWCGWNEOVMDEM-UHFFFAOYSA-N 431.478 0.739 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(F)c(F)cc2F)c1 729835700 ASTKNYBXNSSZST-UHFFFAOYSA-N 437.421 0.978 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccccc2F)cc1 731329553 ZFQGHZTVVUZSCJ-UHFFFAOYSA-N 436.465 0.795 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1c[nH]nc1C 731852278 QWBZMLDIQPINBP-OAHLLOKOSA-N 425.536 0.888 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732246013 FTCXEQCPXDUFTP-MRXNPFEDSA-N 437.522 0.460 50 20 ICGD COC(=O)c1cc(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1[N+](=O)[O-] 732652926 WNYQQGULROXIMN-SNVBAGLBSA-N 439.402 0.452 50 20 ICGD O=C(NNC(=O)Nc1ccc(OC(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 743512850 YZWBJMJLLOPISM-UHFFFAOYSA-N 447.362 0.944 50 20 ICGD Cn1c(CCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)nc2ccccc2c1=O 744523573 SAUTZTOBZQNTBN-UHFFFAOYSA-N 433.424 0.742 50 20 ICGD C[C@]1(NNC(=O)NCc2ccccc2OCCN2CCOCC2)CCS(=O)(=O)C1 744868906 IUDGYEXZASIRNO-IBGZPJMESA-N 426.539 0.279 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CSc2ccc(C)cc2)c1 746097074 LXASMTIEEOHXAY-UHFFFAOYSA-N 426.520 0.801 50 20 ICGD CN1CCN(Cc2ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc2)CC1 746270006 PLGLGHRAGMPABL-UHFFFAOYSA-N 434.541 0.903 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 746592155 VKDIPDDJGRWRIU-SSDOTTSWSA-N 431.370 0.358 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccn2C)CC1 747598748 IQDOANDZEJTTOW-UHFFFAOYSA-N 448.501 0.674 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 748716713 STLODWXVFZDCSM-JTQLQIEISA-N 429.842 0.857 50 20 ICGD O=C(NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)N[C@@H]1CCS(=O)(=O)C1 748716775 AVBBZEMQAZYMAD-LLVKDONJSA-N 438.897 0.929 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc2c(cc1Br)OCCO2 755447377 WVGHHKNQABTRDV-ZETCQYMHSA-N 437.272 0.311 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)o1 755846795 NNHDEEPRNATPCX-UHFFFAOYSA-N 443.464 0.534 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756100890 WVYPHNXFLAOBPV-HLNSEHPISA-N 430.436 0.731 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1ccc(C(N)=O)nn1 757391340 FBJHETLACYPYKW-CQSZACIVSA-N 438.535 0.427 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C[C@H](C)O1 757407425 JIHKEOZIMQGQJG-RYUDHWBXSA-N 434.478 0.130 50 20 ICGD COc1cc2c(cc1C=NNC(=O)C(=O)NN=Cc1cc3c(cc1OC)OCO3)OCO2 758868449 FVSMGTBAEDLJAU-UHFFFAOYSA-N 442.384 0.762 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1C 760508621 DUNGBKRAFPPPKA-UHFFFAOYSA-N 429.476 0.229 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1S(N)(=O)=O 763534487 GUWIBRDKWRMLLC-UHFFFAOYSA-N 429.458 0.777 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763550949 JPVIKTRVJCXONT-UHFFFAOYSA-N 448.457 0.502 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1 763575989 DBDRVKCYZBDMBD-UHFFFAOYSA-N 430.417 0.128 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 763680614 HFTRSJJDUJSACV-UHFFFAOYSA-N 435.458 0.654 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 763711231 FISRZMHESJZUPZ-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 763886315 SPXDPXMACRMWKE-UHFFFAOYSA-N 436.534 0.944 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)cc1OCC(N)=O 763895451 FAHTXNIVXCBOAR-UHFFFAOYSA-N 446.485 0.746 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(C)c1 764165399 YJUOMARQIALXSA-KRWDZBQOSA-N 427.413 0.636 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 764225961 DCKJZXFUOCGCNP-ZDUSSCGKSA-N 440.522 0.669 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1S(C)(=O)=O 764350680 HOVIVYHZZADGEB-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccc(OC)cc2)cc1 764375134 VTGWWMZYHHWJCW-UHFFFAOYSA-N 436.490 0.903 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 764423474 AJTCEWRXESHVDV-CQSZACIVSA-N 431.405 0.027 50 20 ICGD O=C(Nc1ccccc1)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435834 XGGROYRGUOMRCD-MRXNPFEDSA-N 427.417 0.832 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=S)NCCS(C)(=O)=O)n[nH]2)cc1OC 764499523 BHXBYZXEGVNQDU-UHFFFAOYSA-N 427.508 0.247 50 20 ICGD C[C@@H]1CC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CN(Cc2ccccc2)C1 767388373 RHCCVVQSVKPFSO-OAHLLOKOSA-N 437.504 0.448 50 20 ICGD CSCCNC(=S)NNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 769768097 XKFOLTHZYBOTHO-UHFFFAOYSA-N 429.593 0.706 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 771608544 VDWJYDDDTPAGHG-UHFFFAOYSA-N 427.866 0.983 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 771957448 IKALUBHZIKTPKD-GTJPDFRWSA-N 428.445 0.617 50 20 ICGD COC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 776913004 BBEDTUURSCUPFO-LBPRGKRZSA-N 426.495 0.901 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 778437176 XEXSVCMAPOGJCU-UHFFFAOYSA-N 440.522 0.203 50 20 ICGD COc1ccc(NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)nc1 781533645 KNIPQBJUGKJVIA-OAHLLOKOSA-N 436.490 0.775 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1C(F)(F)F 782120212 HNMNBLVLQMQJAU-UHFFFAOYSA-N 437.338 0.730 50 20 ICGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003709 MJYPUTFIADQBLK-YFHOEESVSA-N 444.469 0.840 50 20 ICGD N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 785341399 CXQSYVSCPJSRNE-HKBKRHGFSA-N 441.506 0.394 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 788231796 LIUQBOSUUYORQN-CYBMUJFWSA-N 444.469 0.866 50 20 ICGD CCOC(=O)CCCS(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788915906 MMPZHCCBDAJBMW-UHFFFAOYSA-N 436.531 0.769 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 792083973 KDWRNFSMMITHJY-CYBMUJFWSA-N 427.483 0.489 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 795160875 JFKARYOSPWDOLL-UHFFFAOYSA-N 449.514 0.889 50 20 ICGD CC(C)(O)[C@@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 795764166 OGNMSKMDOZPGSJ-HKUYNNGSSA-N 444.440 0.736 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 802066059 ODDPVNDVSZQPRH-CYBMUJFWSA-N 431.474 0.687 50 20 ICGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 806293837 CSNDVZCIHIUYAU-WFASDCNBSA-N 437.449 0.820 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 807371949 VLPLIGJFMWLULE-MJBXVCDLSA-N 429.539 0.830 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C 811701047 RHSRHXKJHNGNTP-LLVKDONJSA-N 427.932 0.339 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nnn1-c1ccn(C)n1 814361914 JNHYRAJZSCXESG-UHFFFAOYSA-N 437.508 0.283 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 818788017 KOTSBHPIAVFOCN-UHFFFAOYSA-N 447.878 0.397 50 20 ICGD CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 914789090 GKMOUCBZJOQATA-UHFFFAOYSA-N 443.595 0.636 50 20 ICGD NC(=O)N[C@@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 928975566 VHFYBYVPNPYBOD-WMLDXEAASA-N 442.428 0.317 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1ccc(CC(N)=O)cc1 1343599320 OUPOVTQLIGASSF-UHFFFAOYSA-N 432.506 0.460 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1)[C@@H]1SC(=N)NC1=O 1778025461 AJYPPXWPSVWCLK-NTJNJQCLSA-N 434.921 0.837 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779076505 NBJHAONKPLORGZ-MLGOLLRUSA-N 425.265 0.115 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176809 KQRRWMKRMGXRDT-BXTJHSDWSA-N 437.928 0.832 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1780700126 MJDXCFNRMVVWAB-BXTJHSDWSA-N 425.913 0.833 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780770404 MCXRGDFBAJWVLU-OSAQELSMSA-N 443.335 0.626 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783349450 LXOCXBOTIVTSJW-GUYCJALGSA-N 441.282 0.792 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1783534448 UXTLOGZDNOBNOV-YVEFUNNKSA-N 425.283 0.633 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783929845 PSCAKXDEXLJLHH-CFVMTHIKSA-N 425.251 0.123 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1783970316 VTFGTPOEHCTAFL-ABHRYQDASA-N 442.310 0.710 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784582018 HXAXXYJJDIZXCN-ZHRRBRCNSA-N 426.278 0.282 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787445606 KPQUZERXBMYZAJ-HTVCTNPSSA-N 437.896 0.386 50 20 ICGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789536397 QPERVSMEIPTELT-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD Cc1nnc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)s1 1796190770 JVQUORGKOOVRKI-BJWYYQGGSA-N 428.323 0.411 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cccn2)nc1 1798900863 BTILSZCPMYYDBA-BCDXTJNWSA-N 439.520 0.892 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035384 DAYVJSCMZDJIAW-DTHBNOIPSA-N 444.248 0.428 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1802041481 PVAXIBYNRWLNBV-PEZLKRJXSA-N 443.878 0.997 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1803014451 DYOMBTAVOAQTQI-FFSVYQOJSA-N 436.310 0.994 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804349162 QRKZXIMNDZIRNK-KQLYMOGASA-N 449.316 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cscn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362113 DTGKDHPQCPSDEY-QFBILLFUSA-N 436.302 0.851 50 20 ICGD O=C(Cc1ccncc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807494579 ONYQMYZCASWZIZ-NFBKMPQASA-N 444.300 0.719 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1808417720 OENRRLMJPOHXNK-PSOMGPDVSA-N 449.475 0.653 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969331 QHTFTZMMQJPXJU-UHFFFAOYSA-N 443.353 0.374 50 20 ICGD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811245408 KICUGKTUWIHMSE-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070284 ICBZCCFXOGCKFF-YLJYHZDGSA-N 446.552 0.233 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071902 VXXFPOCIDKLKRQ-PGRDOPGGSA-N 432.569 0.849 50 20 ICGD Cc1ocnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344381 WNEWUDYEDMYPQZ-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(Cc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354938 IOGOGXVHLOMHQJ-CQSZACIVSA-N 437.290 0.081 50 20 ICGD O=C(Cc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815970508 STUQQKFEYREHAM-GOSISDBHSA-N 434.265 0.428 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1 1822417067 XNNHFQLEBKKTLK-MRXNPFEDSA-N 447.540 0.787 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822986832 DUTZUVVLYPXDKD-ZFILKEQLSA-N 448.505 0.198 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829867864 ZWRPKRJEIMKREA-DAYGRLMNSA-N 448.358 0.531 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)C)CCO2)C1 1830013591 BQORMVAHHGEYOM-UYSKRRQASA-N 449.508 0.002 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353920 MOKPPEGRRNQDSS-KBXCAEBGSA-N 438.974 0.389 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)N1CCN(C)CC1 1830364032 XWTNKYDDVDIDCT-LAUBAEHRSA-N 445.004 0.344 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)C1 1830718452 OZVWHFCCFMCUHN-JCGVRSQUSA-N 437.320 0.836 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830724001 BQMZOUCCTMZOHG-KDOFPFPSSA-N 432.304 0.713 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735680 LONWZZWGOZRMIJ-DYESRHJHSA-N 438.908 0.220 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1C 1830953879 ODNFPLMKQYYVHZ-MOPGFXCFSA-N 447.363 0.964 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831467322 YINYDVOGUMXYJN-FZKQIMNGSA-N 448.358 0.389 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831877293 ZSGMXLXGDXSDGU-BBRMVZONSA-N 433.278 0.489 50 20 ICGD O=C(CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCCC1 1832426498 VOSMRYJWAVYYAK-GOSISDBHSA-N 436.336 0.649 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945226 RLNTZCOENLTPFX-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1CCCCO1 1833111866 WNEXYTBGKYVKQX-NRFANRHFSA-N 443.353 0.121 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833178120 ARMCLDDRIRELHH-HNAYVOBHSA-N 446.331 0.988 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(N2CCC(NC(=O)C34CC(F)(C3)C4)CC2)CC1 1833515391 BJGHKYWHWQLWPL-UHFFFAOYSA-N 443.328 0.444 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cocn3)CC2)CC1 1835737181 SQBIXFMHFZQVCU-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836116999 HJDNJYTZHJMXDQ-VQIMIIECSA-N 432.851 0.563 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3ccncc3)CC2)CC1 1836348316 XKOMWVVOJKKTRC-UHFFFAOYSA-N 444.580 0.569 50 20 ICGD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836915692 IQHKJLYGUXLDDX-OAHLLOKOSA-N 447.536 0.580 50 20 ICGD O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)C(Cl)Cl)CC3)CC2)C(=O)N1 1837077586 HUYQTHLPMKVPPR-UHFFFAOYSA-N 435.308 0.341 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837679591 PNKBPWDZTZIGOL-ZRGWGRIASA-N 433.933 0.001 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837713336 XMWWJNHINVTZBZ-IBGZPJMESA-N 439.589 0.781 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839152143 OXYCRUOJFYMQGN-ZWKOTPCHSA-N 433.336 0.655 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199741 STGLAISYBHMAFS-NVXWUHKLSA-N 448.264 0.910 50 20 ICGD C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839744184 SUQYLMGMYOHXTR-MYXQPPCBSA-N 435.427 0.709 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839962814 RJFNZZNWXYAPIN-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cc(O)n1 1840032910 NFWLGUVDCQJJLN-UGSOOPFHSA-N 442.310 0.949 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)nn1 1840153991 HLETVJMEWBCQCF-KUHUBIRLSA-N 442.900 0.199 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184049 PBRYOIPXJNIINK-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)cnc2c1 1846385027 LSHMBRZABPMERW-UHFFFAOYSA-N 440.504 0.193 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccnn1 1848099716 SMWLLMSJVSGOJH-IHRRRGAJSA-N 426.905 0.612 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 9931088 JQTRAFLTQQHXMD-GFCCVEGCSA-N 434.440 0.899 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCN2C(=O)COc3ccccc32)c2ccccc2c1=O 17190252 WYKNTGQWPMYSGT-UHFFFAOYSA-N 435.440 0.993 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc12 24291828 YJIHQKSPGNFUBS-UHFFFAOYSA-N 428.474 0.459 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 728503110 IRZAWMSFNFWLOI-ZCFIWIBFSA-N 433.252 0.472 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 729518987 BRSBSBCCRCAVFN-UHFFFAOYSA-N 431.474 0.698 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cn1 729692174 NCCYDMRZSIQARV-IBGZPJMESA-N 428.474 0.875 50 20 ICGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)COc3ccccc3O)cc2)[nH]1 730781840 ASUREMSNQKBJSD-UHFFFAOYSA-N 440.412 0.427 50 20 ICGD O=C(NCC[S@@](=O)Cc1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 735089314 OSPXUCLKOLSAAM-GDLZYMKVSA-N 437.547 0.873 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1c1ccc(C)o1 736460594 ZMRFJUQBWANEMS-MCIONIFRSA-N 427.479 0.832 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cnc2c1 744619997 CREULLJGUPTQPV-UHFFFAOYSA-N 443.485 0.781 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1F 749144812 YWURGWBOVUZVKE-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CCc2ccccc2)c1 749960267 RZMDGEMAZJLJLX-UHFFFAOYSA-N 432.502 0.447 50 20 ICGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Cl 751205129 XJRSQVUTDWKRHO-UHFFFAOYSA-N 444.853 0.306 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 755918178 AWFXMQVEQRMDLM-UHFFFAOYSA-N 449.489 0.772 50 20 ICGD COC(=O)CCSCc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756393651 PBFFLXYCYUTNKT-NSHDSACASA-N 432.524 0.573 50 20 ICGD CN1CCN([C@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)c2cccs2)CC1 758675599 PRANMWFZXLKEQX-CQSZACIVSA-N 431.522 0.401 50 20 ICGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)C(=O)Nc3ccccn3)cc2)CC1 758684990 JBDVEEAOAYFPHJ-UHFFFAOYSA-N 425.493 0.298 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 761195806 OQBFLYQXIHAKDM-ZDUSSCGKSA-N 446.485 0.889 50 20 ICGD COC(=O)c1c(C(=O)OC)c(-c2cccc(NC(=O)C(=O)NNC(C)=O)c2)n2c1CCC2 763515474 NDWHDKXMLJIHQD-UHFFFAOYSA-N 442.428 0.780 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 763569776 BOGBDZQFCFICPH-YJBOKZPZSA-N 427.413 0.780 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 763665803 OKWQAZZHRSUBPB-UHFFFAOYSA-N 438.444 0.353 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 763819974 CETPWBQKPIVLMV-UHFFFAOYSA-N 439.428 0.212 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)C1CCCC1 764077584 RBNUMKCSMXUAEC-UHFFFAOYSA-N 436.534 0.944 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 764231005 LKAVOWCRXTWVCZ-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)(F)F 764231265 NPXFBYQLBCDQKD-ZETCQYMHSA-N 428.414 0.322 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 764259815 OHRDITWNDNYXQM-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764360280 ZZWBIBCEUCJOAV-UHFFFAOYSA-N 449.367 0.122 50 20 ICGD CNc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] 765590495 LMLGCHVQWZSQLT-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1CCS(=O)(=O)CC1 765758591 NNIUGMHCRBPCRJ-UHFFFAOYSA-N 442.969 0.430 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 767260869 OJPLBCIJPQOTRD-UHFFFAOYSA-N 445.497 0.983 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 772972068 RRPWIJLYKQSJAI-JTQLQIEISA-N 433.852 0.458 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)c2ccccc2C1)C1CCN(c2ncccn2)CC1 773272228 JEDKDUVVCDITIL-UHFFFAOYSA-N 444.517 0.723 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cc3ccccc3OC)ccc21 778712933 MHNGRQGUVSSZJZ-UHFFFAOYSA-N 440.456 0.559 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1F 780159317 NFYIBRQXDQRQEY-WBMJQRKESA-N 425.413 0.550 50 20 ICGD O=S(=O)(CBr)N[C@H]1CC[C@H](NS(=O)(=O)CBr)CC1 782472496 JVPBRANZGZBLGU-ZKCHVHJHSA-N 428.168 0.841 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Br 783428022 VXDCMCWCCDEEOF-HNNXBMFYSA-N 434.312 0.984 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNc1nnc(-c2ccccn2)s1 788562478 LGGYPNITDLWLKM-OAHLLOKOSA-N 431.522 0.757 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 790390867 HDXFVERNCXSIPR-UHFFFAOYSA-N 446.551 0.451 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc2c1OCCO2 797368918 ITOJKCKKWRZFFY-UHFFFAOYSA-N 428.401 0.470 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c2ccccc2c1=O 798831057 ZKFQKSMFJDVXQF-NSHDSACASA-N 444.448 0.364 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1O 799257593 NAZFWQNZBMRHNT-KRWDZBQOSA-N 426.429 0.710 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802067830 NUKQHWFNDIVOSS-UHFFFAOYSA-N 446.532 0.868 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccc2c(=O)[nH]ccc2c1 803433540 SNFGTTGLNMYSFX-UHFFFAOYSA-N 431.474 0.644 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sn1 806972766 KOBKEEQSYCMMCQ-UHFFFAOYSA-N 437.503 0.636 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NNC(=O)C(=O)Nc2ccccn2)s1 807565469 MHPMHBYILWEUKS-VHSXEESVSA-N 434.482 0.428 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 815691048 DEKCWRVKSYQPKN-ZDUSSCGKSA-N 442.867 0.525 50 20 ICGD C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919691956 GNSHRCBBGDJSGM-ZIAGYGMSSA-N 425.507 0.661 50 20 ICGD COCCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 920862562 UIOOFQRVPWYYNG-UHFFFAOYSA-N 440.522 0.657 50 20 ICGD COc1cc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1[N+](=O)[O-] 921021291 GFYLIZRLRGZKKS-UHFFFAOYSA-N 437.434 0.737 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(Br)nnn1C 1117668322 AXLGJFZLDRLORM-UHFFFAOYSA-N 430.288 0.254 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)n1ccccc1=O 1779519371 NNFNPOALMAHUNF-ZFCANOHDSA-N 425.913 0.523 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1780127712 FMYSJWKMJQBAAL-LIRRHRJNSA-N 430.860 0.886 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1781051417 UFXDZZVVPJKYME-LZDVPDMXSA-N 437.896 0.878 50 20 ICGD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782114970 VSFRUINFVXSWFR-DYESRHJHSA-N 446.891 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1782214469 RGTYKQNNCATITG-RAKLQZGLSA-N 432.924 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1783933650 BVWJTBONYURUDG-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986480 FARSWCURAZYNSM-QRFRQXIXSA-N 440.280 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CCCC4)[C@H]2C1 1787316409 XTWIVIPQSJTPJD-ZVZYQTTQSA-N 446.552 0.255 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787397550 WRXRYSBONLLPLL-GCPZOVCVSA-N 445.383 0.776 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787443792 TYBYSDPQJWGTMZ-HPCHECBXSA-N 437.896 0.386 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1789590551 TZGIZNIEGWEJTR-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(CO)CC1 1794112208 UJFDRJMAADFOMY-BOXKHOIUSA-N 429.521 0.736 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740631 DYOMAONHUWJSPM-KJLVNVKXSA-N 447.300 0.510 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ncccn1 1796276634 WDHLTRQBOLIPOJ-BTTYYORXSA-N 441.517 0.519 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nc2ncccn2n1 1796958839 RPZWCPADVKRKJR-VLEAKVRGSA-N 427.234 0.018 50 20 ICGD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C3)C1 1801553267 MPWGLRSTCBQULC-FZKCQIBNSA-N 444.960 0.270 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802255804 PZNHGEPFIVCMGU-HNULKUCHSA-N 442.321 0.598 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805814501 VFBXBNLSPQIDBF-XLIONFOSSA-N 433.277 0.128 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806853685 XHHPZGYCXCAQAG-RYUDHWBXSA-N 429.315 0.599 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360519 KSTZWLKOIVUGOF-LAUBAEHRSA-N 449.272 0.480 50 20 ICGD Cn1cccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361012 DMLXGGNFBPTKLM-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810318228 IDHQUOIKHDIFHC-SCNOPHJPSA-N 432.912 0.978 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1810321235 PFGFOVFFSVAOHI-UHFFFAOYSA-N 426.481 0.270 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1813070628 KFRUQLDFSJAQIW-UWJYYQICSA-N 439.520 0.873 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666704 DUHUXIXYRFAFBS-PWSUYJOCSA-N 426.861 0.207 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)N1C[C@@H]2C[C@H]2C1 1819580423 RTBHWKOPDKQEBH-CBBWQLFWSA-N 448.593 0.768 50 20 ICGD O=C(CCBr)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819880140 JVFHPEDZXITFFH-MEBBXXQBSA-N 447.355 0.491 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnn1 1821721718 WEDHSIBWHAEBID-CXAGYDPISA-N 437.269 0.248 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)cn1)CC2 1826080363 FORWRSSXDUDGHJ-NSHDSACASA-N 432.506 0.843 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924682 XRVDACOYTDVPQU-KDOFPFPSSA-N 430.509 0.053 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)N1CCN(C)CC1 1830364034 XWTNKYDDVDIDCT-UTKZUKDTSA-N 445.004 0.344 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534520 AWSQPYJTKIITCV-DAYGRLMNSA-N 431.327 0.512 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1832206404 PCTVNYDNZACSIN-UZLBHIALSA-N 439.325 0.452 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424791 MYEAWKKUZSWLSD-OXQOHEQNSA-N 429.945 0.863 50 20 ICGD COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834080712 IBPXYYUSKZWWBP-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD O=C(c1cccc(O)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834193694 XYUYCBJOEKCFKJ-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)C)CCO2)C1 1834796553 XTBCJAZDWZNWQQ-BQNPTPDXSA-N 433.509 0.623 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1834822540 UGOIGGNNKSKGCV-MRXNPFEDSA-N 449.733 0.778 50 20 ICGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cs1 1835797381 NECSHGBJULJNEU-YGRLFVJLSA-N 437.291 0.486 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869858 YENVCENESDHJLJ-AWEZNQCLSA-N 442.904 0.757 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836921846 AXEJPIGBBNCVDI-IBGZPJMESA-N 448.004 0.679 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC3CCC3)C2)C1 1837456600 OSRYUMVZQPEFLX-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1837921028 TXZIZMADXXTKBL-QGZVFWFLSA-N 430.310 0.015 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)c21 1838437435 AOHJPRPFOLYQFN-DNVCBOLYSA-N 440.859 0.883 50 20 ICGD C/C(=C/C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)C(=O)O 1838788910 DJWNCAZFMCPBHA-PFONDFGASA-N 438.525 0.389 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839153593 LOJSFSRTFMWJTI-SJORKVTESA-N 433.292 0.489 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839200402 HJGDXHDAKOMDQW-BLLLJJGKSA-N 448.293 0.620 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1841497382 FFKQYSOUKLGIOA-MRXNPFEDSA-N 430.509 0.053 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1844692424 WFYPOKWQOHDFJX-UHFFFAOYSA-N 435.462 0.964 50 20 ICGD COc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc(F)c1F 1845432411 CORLRYYTSCWYLN-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)ccc12 1847559309 HSLDPJZWKRZTBV-DZKIICNBSA-N 434.880 0.926 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 10158957 HOQBHQSORJTEAN-UHFFFAOYSA-N 429.458 0.903 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)C2=O 13082351 KPEVIVKBOATAPB-LRTDBIEQSA-N 440.460 0.840 50 20 ICGD CCn1c(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)nc2ccccc2c1=O 726374367 CHVRAYIYVLZKJW-UHFFFAOYSA-N 443.485 0.868 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cnc21 727749054 HEPDNOVODNIQQD-UHFFFAOYSA-N 433.490 0.560 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 728176894 OIWFZXYGDLPVIC-NSHDSACASA-N 443.469 0.476 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730077410 XEGMWYKGTSRGBW-UHFFFAOYSA-N 428.492 0.741 50 20 ICGD CN(C)c1ncc(Br)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 733250687 DUWRQKGVTOVRDI-UHFFFAOYSA-N 431.254 0.961 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)c2ccccc2c1=O 735647091 GGRWODCOLHTIQE-GOSISDBHSA-N 446.471 0.956 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 740851534 JTCYISPAEFAXGG-UHFFFAOYSA-N 448.339 0.816 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cccnc1)N1CCOCC1)c1cccnc1 741765697 BVOIBCXUTNYGQZ-FQEVSTJZSA-N 437.504 0.948 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCS1 743282355 LAVUBYNMEDVKLI-MRXNPFEDSA-N 427.548 0.683 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O 743294834 AYHQREHTVRONCN-VIFPVBQESA-N 429.886 0.524 50 20 ICGD O=C(CN1CCCS1(=O)=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 747943351 UCDTVRWNUGJCCN-UHFFFAOYSA-N 431.521 0.423 50 20 ICGD CN(C)[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCSC1 748648499 YDFJNTPKKLPMQX-QGZVFWFLSA-N 429.568 0.318 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCCN(Cc2ccccn2)C1=O 753298274 LEIBPLZSQUMZID-HNNXBMFYSA-N 428.405 0.831 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)c1 753334574 IKVUMZGRWHDECM-UHFFFAOYSA-N 440.522 0.941 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 758025405 KZYLNFJNQGQVNA-ZDUSSCGKSA-N 439.515 0.359 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)C1CC1 763557059 ANIVWJILBRLYKL-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763571856 PEFIWAKFDIWHEV-QGZVFWFLSA-N 437.412 0.812 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 763978872 BXQLDNYHCCLRNI-KRWDZBQOSA-N 425.445 0.582 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 764433032 LBPQPNFWXVHMIG-BJLXPSRBSA-N 431.470 0.496 50 20 ICGD O=C(NNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1)C1CCN(c2ncccn2)CC1 765245333 SJBXAWRKFBGUNJ-UHFFFAOYSA-N 441.467 0.922 50 20 ICGD COC(=O)NCCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663096 JEEHDXHGTNFDCL-UHFFFAOYSA-N 425.917 0.741 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 767273551 ZQOPJHSLTFZDCD-UHFFFAOYSA-N 445.497 0.864 50 20 ICGD O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 768292528 YWGLCANCCQJSAD-UHFFFAOYSA-N 441.463 0.161 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770344132 PKBLISFPCNDAHD-UHFFFAOYSA-N 448.509 0.926 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)CC1 770775252 YWQKQUZKYPXUND-UHFFFAOYSA-N 439.472 0.957 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCCO1 772007511 PUEAHPRTAFPRFV-QGZVFWFLSA-N 425.507 0.357 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 774009103 NMNAHCUIZIDENS-NSHDSACASA-N 429.824 0.869 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1S(N)(=O)=O 775221082 FEUUIOJNDADOIA-UHFFFAOYSA-N 430.490 0.602 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1=O 785651509 UZJLPPKFFABPRQ-ROUUACIJSA-N 430.505 0.632 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1nc2ncc(Br)cn2n1 795152955 XYWJTDYVSBTRMB-UHFFFAOYSA-N 440.283 0.894 50 20 ICGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)COc1ccc(Br)cc1 799674539 LQOGQSSGFWLEFZ-UHFFFAOYSA-N 434.293 0.998 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c2C1 803838259 KEEYNRLRULOYDQ-CYBMUJFWSA-N 447.879 0.853 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cn(CCOC)c(C)cc2=O)c2ccccc2c1=O 806273301 UWESTUHRQZYNRJ-UHFFFAOYSA-N 425.445 0.608 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(C)o1 806973256 HEMQDGCABXKHMZ-LSDHHAIUSA-N 440.456 0.693 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 806976748 LIWLCNWZWNBOCM-VHSXEESVSA-N 437.396 0.537 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(C)(=O)=O)cc2)cc1OC 810680778 BKGQYUDBUDNFHR-UHFFFAOYSA-N 443.503 0.529 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810793431 XSFGUFMNEJLOLV-UHFFFAOYSA-N 434.499 0.785 50 20 ICGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 813429191 BZSBRTXIRWGWBL-SFTDATJTSA-N 438.528 0.894 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2C1 815692018 HOSAMSQFFKEIFU-GDBMZVCRSA-N 439.520 0.987 50 20 ICGD CCOc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 815815093 LDKXQVLZRQDDBS-GJZGRUSLSA-N 444.492 0.999 50 20 ICGD CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2CC[C@H](B(O)O)C2)cc1 864234890 XXKFUADPONFJRO-IRXDYDNUSA-N 438.355 0.593 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)ccc1=O 913430504 JJGZZMAVRCWGQR-UHFFFAOYSA-N 441.469 0.334 50 20 ICGD O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NNC(=O)c1cccc(Cl)c1 917370152 FSPORKAUIOACMI-UHFFFAOYSA-N 438.849 0.142 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc(C(N)=O)c3ccccc32)c1 917388380 ZQHLXZYPQHULFH-UHFFFAOYSA-N 443.485 0.452 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2cncn2-c2ccccc2)cc1 1325621253 FFQLBDZMSYEDJD-UHFFFAOYSA-N 430.515 0.829 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 1328686514 IIIGBDCROVIIRP-CQSZACIVSA-N 447.558 0.388 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc2c1 1777738909 AWSCZGQXPHTNRQ-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1778121377 LUSGLBVQYFRBRP-KUHUBIRLSA-N 431.917 0.283 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778746032 KFNFBIHNHWPVEY-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1779035704 LRJPZYSMPCMDAJ-RTWAWAEBSA-N 449.458 0.874 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373114 BRHOAMIMAKGYNT-XMSQKQJNSA-N 446.552 0.201 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779870040 FLKKXKWEOCPXFO-LJQANCHMSA-N 445.388 0.660 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783536072 DJRTZJDQSNBRCG-QFYYESIMSA-N 427.255 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1783935907 ZLIWQAQMFGJNNS-QFIPXVFZSA-N 435.569 0.208 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788532698 PIHBBAJMHIRSPH-RCWTZXSCSA-N 445.232 0.855 50 20 ICGD C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795510476 FXJBPAMMRSNCND-RMEBNNNOSA-N 432.949 0.303 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccc(O)cc1 1795739759 KAOPLUKQOYEWNU-WMIGDMCZSA-N 438.289 0.079 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)Cl)C2 1796446405 USACJIVCGJYNLQ-DJWYJNAASA-N 431.827 0.542 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1 1797477319 KPJNEKJODQRWAD-SSJPOKSSSA-N 449.475 0.510 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801533135 PGALOMPOOPMNMN-GFQSEFKGSA-N 425.345 0.184 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803139793 VYJYRRHSCYKAHG-YDZRNGNQSA-N 431.924 0.652 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cscn1 1805742604 TXBNNLHZXJRBQU-APWZRJJASA-N 436.302 0.851 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1806887621 ITRNZVQVCQIVDV-XXBNENTESA-N 444.580 0.946 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807048218 QBJXJWVNYZUWOA-DZASIIFFSA-N 444.363 0.917 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCC=CO2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360270 JQHCDXSOFAXXDG-JBACZVJFSA-N 435.289 0.774 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1 1807374905 PBNRKBYSVPKEPZ-AZUAARDMSA-N 432.289 0.775 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980765 RTLBYKAXFMUHNG-UHFFFAOYSA-N 449.316 0.624 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1810096368 UJKPDVKGECPQHF-LALPHHSUSA-N 433.292 0.956 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360050 KMAKFFQLMSAXAG-DOMZBBRYSA-N 430.339 0.389 50 20 ICGD Cn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cc1O 1816122295 FLUMFRNWAXFTDN-INIZCTEOSA-N 438.253 0.148 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)[nH]n1 1819402988 QWDGEKDMAXAHAX-MRXNPFEDSA-N 437.464 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)cn1)CC2 1826080362 FORWRSSXDUDGHJ-LLVKDONJSA-N 432.506 0.843 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353725 KAIDEALCMVXIOB-GOSISDBHSA-N 436.958 0.614 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1830726977 YQYHWOWLIOZIMF-BOSFTKNMSA-N 440.846 0.775 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738583 QCWQNVXTOXDXKO-WRWLIDTKSA-N 425.913 0.316 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830774782 DLTBVRUWAXPEJX-RVKKMQEKSA-N 432.359 0.711 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831645766 GFXBHHOOBLUASB-LIRRHRJNSA-N 427.885 0.970 50 20 ICGD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1834315470 YNKAVYFROCDOEG-INIZCTEOSA-N 425.917 0.270 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cnn1C 1834420385 DLXUNMVMENQHPC-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834734400 VQCZFDDBHSUKRE-IRXDYDNUSA-N 429.993 0.558 50 20 ICGD O=C(CCc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836053192 WVRIWJVUXVNJSI-NVXWUHKLSA-N 445.289 0.556 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n[nH]1 1837583301 LUILQGLFRSVHKZ-FZKQIMNGSA-N 443.342 0.748 50 20 ICGD O=C(c1cncc2cnccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838460916 QPRQXSQDGZQWPE-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839201091 VWZGMTZEINBPPS-YOEHRIQHSA-N 447.305 0.743 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202756 OVUYSLFYQCLAQH-CDDNYBJESA-N 431.262 0.570 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839203847 YQYOQGUPHORMIU-GDBMZVCRSA-N 434.262 0.672 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839590990 WXFRTWYUHCQKIJ-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839962408 DBWZFHJITDHGNB-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840034109 AKIFIXWIYQEFFC-KSSFIOAISA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840154987 MBKKLPRVRZICBI-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1sc(N)nc1C)C2 1843415877 XFVNCQGQDPZCQR-FSJBWODESA-N 429.506 0.985 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845219849 MIONPCSCSXUEOY-GFCCVEGCSA-N 431.218 0.650 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1846361875 SLNOQIZVZXWKAT-ZIAGYGMSSA-N 432.949 0.686 50 20 ICGD Cn1cc(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 726850782 DCAURRYIOXOEGF-UHFFFAOYSA-N 434.522 0.781 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)c2cccc(Br)c2)C(=O)NC1=S 742216379 ZBHYOBFZZWQNPX-FLIBITNWSA-N 427.280 0.457 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 745980878 HHGSUBPBNJBWOY-UHFFFAOYSA-N 440.529 0.643 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995958 FRROKCFMTAUQNN-SBNBMVPLSA-N 442.563 0.771 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc(Cl)cc1F 747432176 WZFUVUOJGNHCHT-UHFFFAOYSA-N 442.812 0.496 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 748951455 OHECLKZHFBTUSB-UHFFFAOYSA-N 444.444 0.862 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(-c3ncccn3)s2)cc1 749561393 QAUPLAGRDDCWLQ-UHFFFAOYSA-N 446.514 0.990 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)c(OC)c1 751209969 WBRXSKDUHOBGMH-GFCCVEGCSA-N 446.485 0.696 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2c(C)nc(C)nc2O)cc1 752873983 BFZSNMXGXJZREZ-UHFFFAOYSA-N 435.506 0.508 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CSCCS2)cc1 756053371 MXLHKNMBKQQIGC-ZDUSSCGKSA-N 432.593 0.795 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 758036358 QSIVZQDNMSFYGW-NEPJUHHUSA-N 427.483 0.530 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNc1nccc(N2CCOCC2)n1 762861836 QSJUJCZEYAUJIP-UHFFFAOYSA-N 426.481 0.581 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1OCC(=O)NC1CC1 763424690 DBSLWIVQWDBMJK-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1-n1cnnn1 763615263 ZIVDRGFPLDXXEW-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763714481 WQNWUBDMIZMICB-UHFFFAOYSA-N 437.449 0.957 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2c(F)cc(F)cc2F)c1 763719457 YGYWOPGNCQMJSB-UHFFFAOYSA-N 444.391 0.754 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 764296629 CXQIXWBTINZHGY-UHFFFAOYSA-N 436.494 0.503 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 764395088 ZPVQWOIHFYFTJC-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1OCc1cccnc1 764433765 NSECZZCYHZUIAX-QGZVFWFLSA-N 430.417 0.171 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc(Br)c1F 764661568 DMIAXMQDANHDAN-UHFFFAOYSA-N 442.201 0.427 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 776900967 DVCOVXDITOBHOE-CYBMUJFWSA-N 437.815 0.938 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 777588367 QGDLGDCERXABSZ-UHFFFAOYSA-N 428.448 0.516 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1 784846574 TXDRUHJNXUYWRS-LBPRGKRZSA-N 429.433 0.853 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 791045850 YTWGXOPBNPPADN-CYBMUJFWSA-N 426.495 0.803 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1 792651674 KJPXWLPYZNIWPE-QGZVFWFLSA-N 441.366 0.433 50 20 ICGD CN(C)N(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 792853230 CNKKUNXOYBLKMA-YOEHRIQHSA-N 449.533 0.029 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CC2)c2ccccc2c1=O 793265087 FQZKFXQMQQOGFC-UHFFFAOYSA-N 435.506 0.718 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795162426 YRPJTFWGBAJYQR-UHFFFAOYSA-N 440.547 0.921 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cc2ccncc2)(S(C)(=O)=O)CC1 796908213 SOMBLZOWCJCJTR-UHFFFAOYSA-N 440.522 0.586 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3cccc(C)n3)nc2)n1 797246674 MVRBJUWWIDMRSQ-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1 800930584 BPMSXWKTSVKXTI-UHFFFAOYSA-N 427.298 0.404 50 20 ICGD C[C@H](CNC(=O)C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)S(N)(=O)=O 807299000 MOLNQTCBQNFZTM-SECBINFHSA-N 446.411 0.399 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1 807300279 HSKYEKNKELQJBJ-LLVKDONJSA-N 425.442 0.616 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 807370605 OKCMVLXOJUOEHV-RTGRKSDTSA-N 446.504 0.726 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 807370909 XSOBPAKXEWZEGU-UHFFFAOYSA-N 430.421 0.638 50 20 ICGD O=C(NNC(=O)c1cc2n(n1)CCO2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 809983562 NMUOPOMQTHUMRJ-UHFFFAOYSA-N 441.469 0.829 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 815779532 JLRILQMHCKHKHD-LLVKDONJSA-N 428.417 0.655 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2coc(Sc3ncccn3)n2)c1 816810285 GNTKNMXWXVWJNE-UHFFFAOYSA-N 448.486 0.941 50 20 ICGD CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)cc1[N+](=O)[O-] 864232297 ZKFXVVXUPLPCEP-GFCCVEGCSA-N 445.328 0.697 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913429521 DLQCSHZEHBMRLC-UHFFFAOYSA-N 431.474 0.383 50 20 ICGD CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916351262 CQNKMKMDFYHDMW-UHFFFAOYSA-N 443.445 0.179 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1CCCS1(=O)=O 918205098 GMURNRIYZHVPCQ-NSHDSACASA-N 434.312 0.789 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 919886570 SKCMZZVWIZFUHW-INIZCTEOSA-N 438.506 0.553 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)Cn3cnc4ccccc43)C2=O)cc1 920438264 SJWFXQGYNBGERL-JOCHJYFZSA-N 434.456 0.959 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2N(C)C)cc1 1116039340 BPVLVCLXPLCPTL-SJORKVTESA-N 425.555 0.819 50 20 ICGD Cn1nnc(Br)c1C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1330087663 QLVHKKGGEOYZEY-UHFFFAOYSA-N 431.291 0.986 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1 1337253328 IHZKMLGZGYKVJQ-UHFFFAOYSA-N 448.320 0.981 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CCl)C2 1779552896 FCJGHDXTPSZWMJ-JXXFODFXSA-N 431.961 0.916 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780028078 KRTWLIANLNQKGD-WBMJQRKESA-N 430.230 0.944 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1781011399 JHQRLXMNEWOHQH-HSZRJFAPSA-N 441.532 0.913 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1783571200 BOOLAQDZLKUGPI-QEEYODRMSA-N 445.944 0.816 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1783884491 STRQYZGJGRKHII-HZUJVAHNSA-N 437.924 0.889 50 20 ICGD COc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n1 1784086162 VRQHBBQDLXNEFJ-HJWJTTGWSA-N 425.913 0.602 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784104297 PWPRVJBVYLUAEW-QPPBQGQZSA-N 434.301 0.540 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786745164 FYHHBGUZKZNUAY-QAETUUGQSA-N 446.386 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787454338 XFCIBYVUNDJZIW-OMZCGLGVSA-N 435.952 0.934 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791056430 YPBGCDAPGXVAQC-BJDJZHNGSA-N 429.319 0.083 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298172 FJBNWUCUQGRBLX-KKUMJFAQSA-N 441.352 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298314 PJCRXXLFZTXNFI-XDTLVQLUSA-N 430.292 0.082 50 20 ICGD O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791602487 KCYPVTYKWOBFDM-ASHKBJFXSA-N 431.262 0.526 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1792872971 HUQMABIAYGKLRC-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2)c1ccc(B(O)O)cc1 1795735016 IWUVXIMERMRSTI-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2)c1ccc(B(O)O)cc1 1795736722 GWOXEWCPUHPVRC-GMQQQROESA-N 434.301 0.300 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cccn2)nc1)c1ccc(B(O)O)cc1 1798900048 QSTUMJMAFIGCJA-ACDBMABISA-N 445.288 0.513 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800158282 HNWVTVNGHZPVAD-BYNIDDHOSA-N 442.289 0.924 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803140155 YKERKXJNPQZXHI-RRFJBIMHSA-N 429.868 0.439 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1803696094 WTKQNYFUMLMFLH-WSTZPKSXSA-N 440.972 0.782 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1 1803972498 FKMCCJPOVCNTKL-WKCHPHFGSA-N 449.316 0.634 50 20 ICGD CCOC(=O)/C=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806298203 DIGPGSLYFWLFGA-WIMRZNKCSA-N 445.520 0.580 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361359 WVCDAGBEPUHAJA-IEBWSBKVSA-N 425.294 0.506 50 20 ICGD O=C(CCBr)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1809067170 NBBSSCHSZSFRIX-QGZVFWFLSA-N 432.359 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813321492 LYEUCLAALVJMDI-DYESRHJHSA-N 442.524 0.142 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819363516 GPBPCWLNOZJJSR-MSOLQXFVSA-N 440.309 0.969 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)Br)CC2 1819472417 HDXIYTWYQRJQPP-OTPXZMOZSA-N 449.327 0.903 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1822859392 CDKBGGXXRAGALZ-VNNFXVPXSA-N 448.332 0.890 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)s1 1826994173 ZPVDJYILYMJXLR-KRWDZBQOSA-N 442.350 0.952 50 20 ICGD O=C(c1csnn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050026 FBDYYALJFIYJOV-SFHVURJKSA-N 428.323 0.765 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1830539535 IDKYKQQLLBXPQH-CXAGYDPISA-N 427.299 0.578 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1830546912 XKDVCVIPDXZHSG-KSSFIOAISA-N 433.343 0.779 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1F 1830738904 WSRJRMALMZLSSZ-LIRRHRJNSA-N 432.851 0.943 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831439121 XEFAPBAYNLAATM-KSSFIOAISA-N 436.958 0.757 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114950 UPJLXMBHUMCECQ-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)CN1 1833121723 KOVKMPSJHPYUDH-LRDDRELGSA-N 447.349 0.775 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1833335389 OOYJKXDVPJSIQT-QAPCUYQASA-N 428.848 0.644 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826766 VJCMSPLVQHNDRA-DOMZBBRYSA-N 427.723 0.482 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835139621 RMXQXMVCLRPTRP-APWZRJJASA-N 432.851 0.563 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609540 ROHWARVLWHGODO-KSSFIOAISA-N 434.375 0.862 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124809 RXJKXRNMUJCPGN-QRWLVFNGSA-N 441.912 0.873 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1837287289 RASSPTZXPANBAR-WIRSXHRWSA-N 439.629 0.635 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839202450 GCQKWFUCAKIRMQ-GODIYZJISA-N 435.290 0.701 50 20 ICGD COc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)c1 1839406826 PDCWSFQSKNSKOP-UWJYYQICSA-N 440.924 0.982 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839964229 KLZKOIHYPUWYEV-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1 1840031795 CGKFSWUDDDAKTK-WMLDXEAASA-N 429.315 0.431 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1840930147 XNEYKGXMYTXAKJ-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD Cc1nnc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)s1 1844263735 OKCMEHJRQGVFBJ-UHFFFAOYSA-N 429.506 0.295 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265218 GSXDXRIGOCDVAN-LSDHHAIUSA-N 443.504 0.482 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845577944 IJRIFAKLWANTFA-UHFFFAOYSA-N 443.464 0.661 50 20 ICGD COc1cccnc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848176119 JFOGMUOOVFKGHV-ROUUACIJSA-N 438.488 0.537 50 20 ICGD CCCn1nc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 14282635 WPUAYZJCKALPRB-UHFFFAOYSA-N 435.506 0.239 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018009 CLSNKBUTXMJDEY-VQEQIULKSA-N 439.563 0.999 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 730569116 OBBZTUVFPGFCRK-UHFFFAOYSA-N 426.296 0.874 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 734222299 RTNNNVBOEFFDLG-ZIAGYGMSSA-N 438.554 0.879 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=S)NCCCN2CCOCC2)CC1 734766164 SPWPSVZFVXRBBN-UHFFFAOYSA-N 444.602 0.787 50 20 ICGD COc1ccc(CC(=O)NNc2cc(C)nc(C)n2)cc1S(=O)(=O)N1CCOCC1 736718482 JVZUUUGOYLVKDX-UHFFFAOYSA-N 435.506 0.809 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)CC1 737065058 NARUEFUDKMZAIN-INIZCTEOSA-N 433.509 0.482 50 20 ICGD Cc1cncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 742486843 BBQJRBZMOJLGFH-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 748624209 LIZITBVBYXHAGH-OAHLLOKOSA-N 442.538 0.469 50 20 ICGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 749715515 KHDWQROSKSAZQT-UHFFFAOYSA-N 445.545 0.448 50 20 ICGD CC(C)Cn1c(N)c(C(=O)COC(=O)/C(C#N)=C/c2ccc(O)cc2)c(=O)n(C)c1=O 750667306 XNUYCDHCDGRLIV-RIYZIHGNSA-N 426.429 0.824 50 20 ICGD COc1cc(NC(=O)CN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 752333111 SPWYJDILIPJVSQ-UHFFFAOYSA-N 445.432 0.944 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc21 756096129 OSGHVUJENXMCJI-MBZVMHRFSA-N 436.472 0.253 50 20 ICGD CN(C)c1ccc(Cl)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756640483 MUWDTWXHTVGLRZ-UHFFFAOYSA-N 448.871 0.006 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 757726467 WKRKWVJVBOFLCM-NSHDSACASA-N 443.888 0.362 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757796910 NTLLIXMFQHAXQN-KDOFPFPSSA-N 435.550 0.898 50 20 ICGD CN(C[C@H](O)CO)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 760016060 WRVSZEULNJLASU-QHIITQONSA-N 431.880 0.797 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CC)cc1S(=O)(=O)N1CCCCC1 763440875 ODKQRZXWNZIXOU-UHFFFAOYSA-N 426.495 0.756 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccnn1CC1CC1 763530853 JGYJUNQFBFVRFT-UHFFFAOYSA-N 439.520 0.591 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)c1=O 763685349 TZVGSKNBPFNEQK-UHFFFAOYSA-N 444.835 0.389 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 763732058 CTYBWUNIYVOJOU-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 763872682 PIURWYGZMCPYJA-LBPRGKRZSA-N 444.448 0.307 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)n1 763892933 NRWJLMXUKHCYLO-UHFFFAOYSA-N 446.361 0.960 50 20 ICGD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 763999296 VEVOQQOACWOCNF-LLVKDONJSA-N 435.506 0.391 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764115121 NWHBAKPZMXRCKU-UHFFFAOYSA-N 429.813 0.988 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 764125547 YSODAKNCLOAIEL-SFHVURJKSA-N 441.440 0.742 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764319914 TWFCRNRIWUYIHE-UHFFFAOYSA-N 426.404 0.803 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1nc(NCc2ccco2)ncc1Cl 764342690 HLLXVBHTXUULIS-UHFFFAOYSA-N 429.824 0.921 50 20 ICGD CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC 764400235 OVWXUKCEAHCVNP-SNVBAGLBSA-N 435.886 0.271 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc2c1=O 764747019 NRRNOHFLVQIMID-UHFFFAOYSA-N 429.400 0.852 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(F)(F)c2cccc(Cl)c2)n(C)c1=O 766636552 OPYJLPXQBXYIIV-UHFFFAOYSA-N 440.794 0.027 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 766991161 ZNONGOBXCPMMMW-CYBMUJFWSA-N 434.540 0.205 50 20 ICGD O=C(NNC(=O)C1=S=C2CCCC2=C1)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768236317 AOXOAZJKEHAZLE-UHFFFAOYSA-N 437.485 0.828 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)co1 773411592 OKCWDWCBPLWLNA-LBPRGKRZSA-N 444.510 0.938 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccc(C#N)cc3)c2)CC1 773692292 CKFZSBZQVZSOJY-UHFFFAOYSA-N 442.501 0.576 50 20 ICGD O=C(NNc1cnccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 775281651 UHBCVBKQDLTDPE-UHFFFAOYSA-N 448.505 0.091 50 20 ICGD Cn1nc(C(=O)NNC(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)c2ccccc2c1=O 778532983 XQOUFWQXVVQAMP-CMDGGOBGSA-N 431.412 0.766 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)ccc1Br 779847082 SRYOEVCHPRQEOZ-UHFFFAOYSA-N 445.089 0.877 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999287 LVWKTOKMDQOIQI-UHFFFAOYSA-N 427.255 0.556 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2c(I)cnn2C)cc1 796602772 ACFREHWFWWDWKR-UHFFFAOYSA-N 442.213 0.951 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(O)cnc2c(Br)cccc12 809973152 UOCAOVSFJLNGLG-MRVPVSSYSA-N 428.264 0.899 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cncc(C#N)c3)CC2)cc1 811690190 WWWUJUCVQAEBQT-UHFFFAOYSA-N 428.518 0.389 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 812728322 JWSRLLSQQXWFFG-UHFFFAOYSA-N 431.474 0.717 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033375 QKRAZUYUVJZFMS-UHFFFAOYSA-N 447.517 0.649 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3)cn2)CC1 815558051 OGZAFERWKFFUEQ-UHFFFAOYSA-N 426.433 0.370 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751737 MOKLSJSZQSNNAA-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 861779143 NOTVQHRCLUBIAP-LBPRGKRZSA-N 441.444 0.259 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 913638321 HJOXVJURFDROAQ-UHFFFAOYSA-N 427.509 0.707 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cc[nH]n1)N(S(C)(=O)=O)CC2 916159018 DPOMEYYMZGSVGB-AWEZNQCLSA-N 437.478 0.137 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1cccnc1 918550713 YJNUPOHRCUEHHF-AWEZNQCLSA-N 430.442 0.480 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)NNC(=O)[C@@H]1COc2ccccc2O1 928978134 VCNFEFJTGDMABN-DYVFJYSZSA-N 443.387 0.782 50 20 ICGD O=C(COC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1cccs1 1320931034 QCQBHTZUADMGRC-UHFFFAOYSA-N 426.472 0.061 50 20 ICGD O=C1Cc2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)ccc2N1 1778920319 SQZWUXNBWNDUEQ-CSODHUTKSA-N 435.908 0.908 50 20 ICGD Cc1ncsc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030947 KYHBATPYKNLECQ-IBGZPJMESA-N 430.490 0.207 50 20 ICGD O=C(CS[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779077992 KLFQWDCQWQVCJH-FPOVZHCZSA-N 448.350 0.070 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1779735426 CDECBAKTTSIXES-XMSQKQJNSA-N 441.293 0.413 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 1780279675 FKCLOKBSJYRDNT-PGLVWIQMSA-N 427.465 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@H]3C=CS[C@H]32)C1 1781537904 SPIQUMLYVLLHIR-BUDWNCPASA-N 436.578 0.748 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092491 LYGMEESUQRSGOH-LLLHUVSDSA-N 437.924 0.595 50 20 ICGD C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785076556 SNLHZMWJKWRRGB-YXMSTPNBSA-N 446.976 0.693 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C3)C4)C[C@@H]21 1787508047 AAFUSZNKTKOCSA-DXWATMBWSA-N 427.505 0.900 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1789641346 LKWMEOHJFPKGMG-OAHLLOKOSA-N 435.289 0.805 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791753465 QVFPAXMIZCFVLM-WAWDGXNYSA-N 431.493 0.137 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794584056 WHJODQTUORXKMR-NFFDBFGFSA-N 426.311 0.620 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1796440480 YCNLASAHTZHITN-BOWLITCRSA-N 443.460 0.037 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797611701 UKTFXAPEJZJNAL-ZPQALQNUSA-N 428.327 0.442 50 20 ICGD CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798286044 KNUFRZIWTNUVJX-HFMZHSJMSA-N 435.550 0.917 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800644384 RNVKEXYOAMLIEN-OAVKVSGMSA-N 435.315 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1Cc2ccccc2C1 1802198697 XRGBSQQBEGYCRF-HATOLVCRSA-N 428.533 0.364 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnc1 1803308413 OILMADWIBQGJML-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363879 BZYJDCOUUNPQHM-SSXICUSMSA-N 449.316 0.649 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1 1814051631 XIFNLRRDWHBMRF-QUCCMNQESA-N 432.289 0.775 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnc1 1815335777 QTJKHTVZSWAHOW-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(O)n1)CC2)c1cccc(B(O)O)c1 1815355465 SHIMSKDFXWOHTD-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD O=C(CN1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817134009 RHXFSHNSUJBOJK-IBGZPJMESA-N 439.325 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)N(C)C)[nH]n1 1818111848 LBDZEVJMVASSSI-GIEPYWIESA-N 442.480 0.624 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818122119 WJTBQBGMBFWXID-FZKQIMNGSA-N 441.297 0.262 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(O)nc1O)CC2 1825998225 GYAKFDYOWPDEGQ-VXNVDRBHSA-N 427.870 0.824 50 20 ICGD O=C(c1cc(=O)cco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050621 AMZLHJZKTXATLV-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN)CC1)NC(=O)NCc1ccccc1 1830166212 UPAIYZQSBTUVTK-HXUWFJFHSA-N 444.580 0.911 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720031 QVGKEUSDSBRQEX-YTVQGQIRSA-N 443.840 0.257 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732129 RRFMBITYBPCCEC-MGPUTAFESA-N 449.895 0.141 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830798164 CZSRWBWZCUKPAV-YWZLYKJASA-N 448.944 0.555 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831877372 PVBATQGWNNQIAP-SJCJKPOMSA-N 429.315 0.582 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762264 MRVCFVSFGQKLOY-HNNXBMFYSA-N 441.960 0.421 50 20 ICGD O=C(CC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834660072 HYEJMHCLZCSXMC-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826259 HXABTTRWFMZWKX-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834826420 PNWSONZTPFYHDB-QAPCUYQASA-N 443.342 0.994 50 20 ICGD O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834875010 FUZDANXFZABRKY-UHFFFAOYSA-N 428.335 0.030 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1835125421 QOHRUNBJFZRFDK-KDOFPFPSSA-N 430.977 0.679 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1)n1cnnn1 1836414343 FXJMCPQNLLOXTH-FZMZJTMJSA-N 446.325 0.496 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836887658 QULGPNCLBDVWBO-IERDGZPVSA-N 446.353 0.386 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1838518578 XAFAJOLKWQYUJT-PBHICJAKSA-N 448.289 0.922 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199296 MEUSLHXUGIEWLR-ABAIWWIYSA-N 435.250 0.326 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200463 LHRLPZLVTCNFLP-ZFWWWQNUSA-N 441.370 0.985 50 20 ICGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1839809358 ZDFOCWQLSDZGBL-HXUWFJFHSA-N 431.401 0.223 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840031217 IXPFYNQMZXSJMU-CXAGYDPISA-N 427.299 0.259 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840155596 BEUITZNOVRFRSW-BXWFABGCSA-N 433.933 0.001 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1840185411 PUVUZHSDSCJYJD-JOCHJYFZSA-N 436.553 0.396 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013227 WIUREMKGAPUUHV-QGZVFWFLSA-N 443.309 0.193 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844304291 MBWBRVDJFPVQRB-UHFFFAOYSA-N 432.245 0.547 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 14317544 NEAGXSDXTQVPRX-UHFFFAOYSA-N 445.476 0.083 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1nnc2ccccc2c1=O 15191643 SVDANSBMJSTHFQ-UHFFFAOYSA-N 435.488 0.151 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 16786090 ZBFKEUUVJPARAP-CYBMUJFWSA-N 431.536 0.221 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)c3ccco3)cc(C(C)C)nc21 725740917 LCGUTMAXLKABEO-UHFFFAOYSA-N 442.432 0.424 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725873665 PJIZJKXEGPHXBU-UHFFFAOYSA-N 431.522 0.155 50 20 ICGD O=C(COc1ccccc1OCC(F)(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 727673562 QWDRSCNGLPAUCP-JTQLQIEISA-N 425.385 0.524 50 20 ICGD O=C(COC(=O)CNc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 728333781 AICWHDPCEXUOJA-INIZCTEOSA-N 430.373 0.537 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 728529993 XDOQJXWCWMAPBE-UHFFFAOYSA-N 434.312 0.890 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728889280 BRMFOFPRVMNAKB-UHFFFAOYSA-N 444.517 0.619 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 729626946 HCQBSPOROOJUEI-IAGOWNOFSA-N 432.521 0.944 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730333453 ZAZOLXCOUZCAAT-LBPRGKRZSA-N 428.536 0.776 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732259776 KATGISSFHLGRCE-HZPDHXFCSA-N 440.566 0.881 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 732265034 YDFASFXHDUUGFH-IYBDPMFKSA-N 440.566 0.976 50 20 ICGD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 734221166 LNODPJLPLJRKPZ-HUUCEWRRSA-N 439.538 0.528 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)n1nnc(-c2ccccc2)n1 742478315 MVGYMRWZNDSHHX-LBPRGKRZSA-N 428.478 0.655 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 745484240 UUDHPNXAZSLEOZ-BBHZHJQOSA-N 449.485 0.086 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)OC(C)(C)C)cc1 745836653 UJOHIHOUZUCIGN-UHFFFAOYSA-N 428.511 0.678 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 746766176 WSXWXBXIEWZADG-UHFFFAOYSA-N 444.464 0.472 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCCC2)c1 749839132 ZPISUNDCXDAPNE-UHFFFAOYSA-N 445.563 0.836 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 750279527 GHMDLDRZYUHNBS-NILFDRSVSA-N 446.416 0.463 50 20 ICGD O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)CNC(=O)c1ccco1 751204895 RPPSCWQECICOJE-UHFFFAOYSA-N 449.427 0.624 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1I)N[C@H]1CCS(=O)(=O)C1 751363918 YCTUEYKMJZVIOE-QMMMGPOBSA-N 441.222 0.561 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)oc1C 754154165 KZDLUQMPCNIAIP-UHFFFAOYSA-N 445.837 0.515 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 759358663 YGXZPZBOBPJXKQ-UHFFFAOYSA-N 432.502 0.930 50 20 ICGD C[C@H](C[C@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760196570 YWTMVJQAXYYGSR-HUUCEWRRSA-N 426.543 0.459 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc21 763472558 YFNQHOIBRHKWTL-UHFFFAOYSA-N 426.389 0.991 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763681215 NOUOOXLLPMVOJT-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 763784387 WMTQNTFTEMHWKT-UHFFFAOYSA-N 436.515 0.686 50 20 ICGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763808678 ONIBWGBSNIVALG-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1 763831294 IDIVRBVPOUQWDW-UHFFFAOYSA-N 440.456 0.480 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763837986 KKTKNULNWOSRBG-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275601 ORVSIEATKNAHFD-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1C(=O)OC 764281389 WBDJYEUTNXZESF-UHFFFAOYSA-N 443.412 0.684 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1 765398696 MFRPLANXNNQSRM-HMAPJEAMSA-N 439.494 0.994 50 20 ICGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765732670 JPALKUDNKUXZQK-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD CC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 765756137 LPZOPSCNRPHKRK-UHFFFAOYSA-N 435.956 0.864 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)nc1 766660578 NIHRWYKISITPFM-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n(-c2ncccn2)n1 768238023 PIFKKJCSOXLRRK-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 770248361 VRDLRTQQSSKOST-UHFFFAOYSA-N 425.561 0.776 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)c3cccc(OC)c3O)c2)CC1 770772055 SUZVFGSCSUSDBG-UHFFFAOYSA-N 441.488 0.942 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cccc2c1OCCO2 771609215 WUCXHPFRHAFTRA-UHFFFAOYSA-N 425.850 0.737 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 776536928 MCQJNNXJGHTREQ-UHFFFAOYSA-N 445.544 0.929 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)nn1 783949695 MRLSOUTUNHKBHX-UHFFFAOYSA-N 436.494 0.904 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998814 HMIVLWCZTXSLNU-UHFFFAOYSA-N 427.255 0.556 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005335 WDHZIPVDBPJTCD-UHFFFAOYSA-N 445.501 0.650 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C(C#N)=C/C3CC3)CC2)cc1 786679734 CLNRIWBPBPQPRW-FOWTUZBSSA-N 433.486 0.931 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1COCCN1C1CCCC1 792776403 HKWOMFPTRLBPIK-OAQYLSRUSA-N 429.565 0.990 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCc1ccc2c(c1)CCS2(=O)=O 792995858 BFQPFMFLCIHVIS-UHFFFAOYSA-N 446.485 0.773 50 20 ICGD CC(=NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 793133697 CGWKPURWJLUQOQ-CQSZACIVSA-N 434.478 0.134 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc1C 793784839 ZWMQOARGEQCXDN-GOSISDBHSA-N 434.453 0.020 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794791519 UAHZFLCVUPRNNZ-NSHDSACASA-N 435.437 0.595 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)c1 796992971 YPBNFAQUGFRXEB-UHFFFAOYSA-N 439.428 0.156 50 20 ICGD CCn1ncc2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c(C)nc21 799423192 QWUKXXZRJOANBL-UHFFFAOYSA-N 449.515 0.979 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806972725 IZJGOFFWZHEBRQ-UHFFFAOYSA-N 443.391 0.874 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 806992277 DPBXVUIOAAUNRM-UHFFFAOYSA-N 437.382 0.963 50 20 ICGD CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NNC(=O)Cc1cccnc1 808088437 HKNKNHBFNAFOJY-UHFFFAOYSA-N 427.527 0.821 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(N)(=O)=O 812426887 MDZDLDSMMDDCAS-UHFFFAOYSA-N 432.462 0.063 50 20 ICGD COC(=O)Cc1sccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 815454632 ZLPYMKIQRRLJCW-AWEZNQCLSA-N 434.426 0.608 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)nn1C 815568891 XZQWTXWUKPZGAC-LJQANCHMSA-N 447.499 0.837 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 815778134 DGGLPFPHQWUXHN-IAGOWNOFSA-N 426.477 0.595 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCCCCS(N)(=O)=O 816827886 IWCIQNIQLNOVQW-UHFFFAOYSA-N 433.556 0.288 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 816828787 OSIOZAJTURLKDQ-NRFANRHFSA-N 443.529 0.897 50 20 ICGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884021 PTOFQHGVQWJREM-ILXRZTDVSA-N 449.556 0.214 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CC1CC1 819132108 ZLZSHDQMONBZAW-ONOODXEBSA-N 443.547 0.328 50 20 ICGD CN(CC(=O)NNC(=S)NCCc1cccs1)C1=NS(=O)(=O)c2ccccc21 838840371 XRGOPPBIDBVCCT-UHFFFAOYSA-N 437.572 0.867 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc(OC)c1OC 879362931 KKEULYJRCDEVNG-UHFFFAOYSA-N 429.389 0.135 50 20 ICGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1csc(N2CCOCC2)n1 912852041 DVYRDCULKXKKGY-UHFFFAOYSA-N 448.461 0.469 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cnccn1)N(S(C)(=O)=O)CC2 913161314 IVHVLJDVCKFQEN-HNNXBMFYSA-N 449.489 0.204 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2c1=O 915923087 WGWNCZXMQQIKAS-HNNXBMFYSA-N 430.509 0.717 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1cc(Br)c[nH]1 916517182 WOMYXWJGEDCFFB-UHFFFAOYSA-N 444.311 0.841 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2c1=O 916553340 DATQISIYVRYGKW-UHFFFAOYSA-N 448.439 0.460 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 918117274 BRLKDTHCAGLWPA-KRWDZBQOSA-N 427.509 0.732 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 919822826 MJUKSOJNWJGWAA-UHFFFAOYSA-N 430.486 0.904 50 20 ICGD Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CC[C@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1329216219 VBSXTTIFYXFIRE-CABCVRRESA-N 446.338 0.620 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)c1cnc(O)nc1O 1778009313 NTZYFJMWLWDCRT-GLKRBJQHSA-N 447.261 0.706 50 20 ICGD Cc1ccoc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778147011 JYNNKEAMEMIUPT-XMSQKQJNSA-N 426.278 0.709 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778893097 VMDLFBJQXBXPFQ-OAHLLOKOSA-N 426.464 0.773 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3F)C2)C1 1780478843 UVONQRUDMRSHHL-NRFANRHFSA-N 427.436 0.582 50 20 ICGD O=C(CCCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784918812 LXFKMYKQGFQARE-XIRDDKMYSA-N 442.243 0.692 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785650379 XJRNUROAODDAAJ-RUZDIDTESA-N 448.328 0.615 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CNC(=O)N(C)C)cc2)CCC1 1785931516 QMGFDANPLYQIRW-UHFFFAOYSA-N 432.525 0.765 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925104 NMYWQZFVEBMAKD-DSJPLQJWSA-N 439.278 0.272 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1790588979 CVWBDVNEUGXLDX-AVGNSLFASA-N 443.298 0.326 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C(C)(C)C)c3)C[C@@H]21 1791288538 BKOSEONUPDNIKI-SZMVWBNQSA-N 448.568 0.604 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1793099581 AMFGAOSTPMZXKK-SIZVQLJJSA-N 428.294 0.208 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2)[C@@H](F)Cl 1796366060 JEOULKPSCIPCKU-ZMJPVWNMSA-N 439.831 0.416 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800642047 SWPXNLYNYLYTJV-RKQHYHRCSA-N 433.347 0.457 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800730575 LLQJOORRDDXZBH-FTUNRGFVSA-N 447.444 0.902 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801763124 XDFHZIZHPYHILU-KJLVNVKXSA-N 447.300 0.510 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H](O)c1ccco1 1802519777 NEFZSHKBTJVOBM-DZFGPLHGSA-N 449.272 0.408 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803678481 KUWURNUISXRPIE-QSFXBCCZSA-N 425.294 0.364 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804320277 AFEHFTKSWXJJFO-YLJYHZDGSA-N 447.256 0.557 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nccn2C)[C@@H]1c1cccnc1 1805898582 UQBVWSYXOWTZDB-LPHOPBHVSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362272 JXINCYOQDPRIEZ-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978750 MYXABMAPHJOBGD-MFKUBSTISA-N 437.305 0.923 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1812864255 ODGRMYYXYVKLAY-BJJXKVORSA-N 437.342 0.711 50 20 ICGD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071360 RVYNCRRQEPACBM-YJBOKZPZSA-N 445.549 0.934 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815254801 ZYILHQUGGSIERD-SOVGHPHASA-N 428.298 0.802 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCOC1)CC2 1819801649 OWCPIFWTJOWVDC-GHMZBOCLSA-N 430.490 0.404 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc[nH]2)CC1 1828925499 NFDQNKQMTMCCSX-SFHVURJKSA-N 425.493 0.955 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1829859218 BYRNEFCCZSNMMA-QGTPRVQTSA-N 438.352 0.594 50 20 ICGD O=C(c1ccoc1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727721 CLKOWRADNMIACA-WBMJQRKESA-N 440.802 0.968 50 20 ICGD O=C(CCc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737161 DGVDJTORIHXGJX-YLJYHZDGSA-N 428.888 0.814 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1832006035 YQKYIFFKLJDHSN-ZKNHNOBHSA-N 446.928 0.022 50 20 ICGD CC(C)c1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833280777 HDJYXKPVDLBROY-RDTXWAMCSA-N 431.942 0.936 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410305 GKABENGKLHBMTR-YVEFUNNKSA-N 445.314 0.369 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833763461 HHZKPQBUOZESDF-GOSISDBHSA-N 442.310 0.945 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834795643 OAQLNYVNIPSNBV-OAHLLOKOSA-N 439.879 0.137 50 20 ICGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)s1 1834853298 WVBQCXNLSIYCEU-OAHLLOKOSA-N 429.974 0.560 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840035699 AUNMUDBZLBIQEC-SCLBCKFNSA-N 449.342 0.816 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840150319 IKXVWGUTJLPJND-JXFKEZNVSA-N 445.944 0.099 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840490324 YETRMFPTUVSJJQ-RDTXWAMCSA-N 443.342 0.994 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)[C@@H](O)C1 1841023905 GBOVCBQSKIYBIP-KKUMJFAQSA-N 445.944 0.407 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)C1 1842475506 SKMCPSBMDGDNGX-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)CCBr)C1 1842637947 ZQAWXUYLDYSPPA-LBPRGKRZSA-N 434.331 0.860 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909655 ZVQLOTQBKIUIQS-UHFFFAOYSA-N 444.448 0.177 50 20 ICGD Cc1c(F)ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1N 1844263853 BSKBWTRBQCVWST-UHFFFAOYSA-N 426.452 0.846 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(OC)c1C 1846869964 HIXKISAJYKXJSB-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)cc1 1847559510 RUASLHYLYWWISX-QSPRXWTASA-N 443.953 0.463 50 20 ICGD O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1cccs1 8632766 FVWGIMPXAVNAKX-UHFFFAOYSA-N 432.370 0.257 50 20 ICGD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931112 XYEUMVMLTJUGST-OAHLLOKOSA-N 431.470 0.791 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)C1=CN2CCS(=O)(=O)N=C2C=C1 15762495 SCKDPZPDKYXDDK-UHFFFAOYSA-N 431.293 0.769 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 25433748 WWVUETHLLARMFG-HXUWFJFHSA-N 428.376 0.783 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc(OC)c1OC 26956284 SOGLHNSKNNIAQS-UHFFFAOYSA-N 429.437 0.353 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2C1 43742346 RDKGFDLBRATOIE-JTQLQIEISA-N 427.486 0.893 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730812556 UEQIZFICIRYHEO-UHFFFAOYSA-N 429.476 0.031 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)n1 731118466 RFLJEEHUWAWPBG-IBGZPJMESA-N 441.536 0.728 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 731958184 MVKCGFPXHUGUGA-GOSISDBHSA-N 434.493 0.178 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(C(=O)N(C)C)c2)CC1 735116777 FGODODCHAGHYCE-UHFFFAOYSA-N 446.533 0.476 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116788 FTLKBLOAJMQTJD-ZDUSSCGKSA-N 442.542 0.374 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 743631251 PDRQUXIMSOTLRM-UHFFFAOYSA-N 439.419 0.166 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1ccncc1 747429638 WMYAVGOIWBAGSB-UHFFFAOYSA-N 441.307 0.903 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(Br)cn2ccnc12 750243980 SATBJSBOHRMCAH-PNZRWIHMSA-N 449.265 0.487 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N1CCN(C)CC1 750664718 IXERUTPCFBMEGP-QGZVFWFLSA-N 448.531 0.785 50 20 ICGD CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1(C)C 753558272 QQDHTCFKHXQRLT-HOTGVXAUSA-N 440.522 0.465 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(=O)(=O)N(C)C 753579638 LLHZMHMSEYKOEB-UHFFFAOYSA-N 429.476 0.317 50 20 ICGD COC(=O)c1coc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 753950088 MNESDRLFRWFWHJ-UHFFFAOYSA-N 446.482 0.958 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753981505 MIVKOKLNNSTTKG-HNNXBMFYSA-N 429.520 0.199 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)co1 756291266 FFGWXKTVLQKRMX-UHFFFAOYSA-N 429.838 0.801 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1C 756581440 CPTGQXMMVRFEGH-UHFFFAOYSA-N 434.478 0.581 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Sc2ccccc2Cl)nn1 758034510 GKLKFZXBUIVWOF-VIFPVBQESA-N 429.911 0.980 50 20 ICGD O=C(COC(=O)c1ccc(OCC(F)F)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 761514405 YFXBRSJDJUJKBK-AWEZNQCLSA-N 437.355 0.870 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1C[C@H](C)N(C)C1)c(=O)n2Cc1ccccc1 761804657 DVNXNSMUBFCBAA-HNNXBMFYSA-N 437.504 0.624 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1 762042309 BQHLJAXCIMLYER-UHFFFAOYSA-N 440.503 0.263 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763429817 ANHIPGUUCMLTOK-UHFFFAOYSA-N 433.490 0.403 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2I)n[nH]1 764105920 CTMQQHILVAIYEP-UHFFFAOYSA-N 431.165 0.862 50 20 ICGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1OC 764108140 CVZLEBQBVCBCLB-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)cc1 764127995 WYHMTOSFLWYPKV-UHFFFAOYSA-N 427.461 0.646 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)cc1 764319283 CDDDWUSJKJYHGK-UHFFFAOYSA-N 441.535 0.970 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)CSc1ccccc1O 765248823 JLBQERWMUIDEEK-UHFFFAOYSA-N 444.517 0.551 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)CSc2ccccc2O)cc1[N+](=O)[O-] 765402983 LSPYQSKHLLMCKV-UHFFFAOYSA-N 434.430 0.979 50 20 ICGD CN(CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 766653964 SFQAYKFFHUFCKQ-UHFFFAOYSA-N 433.509 0.459 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767274330 AIQVKUQTSACJCY-UHFFFAOYSA-N 443.481 0.453 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 770549218 NKJNDXIXWYVATJ-UHFFFAOYSA-N 427.483 0.996 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)nc21 770979801 KQEAYZYCCQXQNN-OLZOCXBDSA-N 431.453 0.494 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2OCCC3=O)nc1 783264991 VRTKOKVFAAWNFC-UHFFFAOYSA-N 447.473 0.815 50 20 ICGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)N1CCOCC1 784004002 GJURSLDPGYCTPS-AWEZNQCLSA-N 443.460 0.189 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C)n1 794089876 MAGSPCLXPVRPAQ-INIZCTEOSA-N 448.501 0.393 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2C1=O 794596000 BCVLZLKVGZCYES-UHFFFAOYSA-N 446.441 0.148 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NNC(=O)c1cccs1 795845965 HWZTWXODNVWCJC-INIZCTEOSA-N 447.391 0.684 50 20 ICGD COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NNC(=O)N1CCN(C)CC1)CC2 807378672 IWNRVLWRSXNFCU-UHFFFAOYSA-N 433.509 0.357 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 812726946 AFGIFIHUJZFERD-UHFFFAOYSA-N 434.522 0.949 50 20 ICGD Cc1nc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1 814252802 JWDDVNHINAVNSA-UHFFFAOYSA-N 436.490 0.706 50 20 ICGD CCOC(=O)c1nc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)sc1C(C)=O 815564618 OHPKUEBOXJAUSD-UHFFFAOYSA-N 448.457 0.996 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2-n2cnnn2)c1 912643125 YTXKHMNCAMLWMX-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 912852233 UPRACGLFBZPZER-UHFFFAOYSA-N 439.519 0.028 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 915893753 APKBFEARNDJTJC-SFHVURJKSA-N 446.529 0.935 50 20 ICGD C[C@@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 916234422 DXTRGBYKTSJZFZ-ZIAGYGMSSA-N 426.539 0.922 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCC[C@H](C)C2)cc1 916452479 MLAMNNJJQLZATM-INIZCTEOSA-N 425.555 0.678 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nncn2-c2ccccc2)c1 916580706 QVQONGUDELFTBV-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)c2ccccc2O)CC1 916640045 VVAZDPLYBRZROF-UHFFFAOYSA-N 435.481 0.854 50 20 ICGD CC(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)s1 921301738 DJJKGYZPPWCAEU-UHFFFAOYSA-N 430.895 0.760 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1318620687 ISZSNFHJDIOIJO-UHFFFAOYSA-N 425.486 0.455 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1320355482 UHLMEMWNKPQVSR-UHFFFAOYSA-N 428.492 0.501 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 1328653713 NMYGQZYYONWJPB-UHFFFAOYSA-N 439.513 0.892 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(OC)cc2)cc1 1337499631 KJRYIBJHGJCROQ-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778903216 UXYULPZSOVNCNI-XATUQGEJSA-N 428.338 0.930 50 20 ICGD C=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779034648 READIJVQKWYPIN-KRWDZBQOSA-N 427.383 0.247 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cccn(C(F)F)c1=O 1779581708 AMQKMDQTNJJLLF-PJIJBLCYSA-N 447.866 0.971 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330215 UFGMAUFUJZCHJU-LRDDRELGSA-N 426.246 0.863 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1 1781685142 FDPAKGMYZNTNLP-NRFANRHFSA-N 446.671 0.916 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782208875 NTDPFLVPVICEGD-TUFGIGEDSA-N 434.917 0.370 50 20 ICGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1783143744 BWLAADBRGDDAHL-FQEVSTJZSA-N 448.432 0.100 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093551 YMNLXIUFXFWDFB-SQXXHLCCSA-N 433.892 0.602 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1784446593 VHONSMXVYPWMHA-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)CC1 1787447411 VVAIPVXGQPIDQF-ZQDZILKHSA-N 439.937 0.172 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@H](F)Br 1789923192 XEXDEFXQJBSJQG-AEHQLWAISA-N 432.246 0.777 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791281137 VFBITLZLHYWEKF-REZKGXPESA-N 449.342 0.613 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1791290837 PFQWZHVJBKXHKB-WZTLGTBRSA-N 437.368 0.575 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1792870229 ADKDHFNUDHMTNZ-QKGCVVFFSA-N 428.331 0.535 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2)[C@H](O)CCl 1792974794 CHTYOBOZVYBAHJ-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1792989467 IZJHRPZWCFFWII-WISYIIOYSA-N 426.248 0.380 50 20 ICGD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793959109 DSVBTBKYPJGTQX-XOIINTDNSA-N 439.310 0.186 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307113 GFQUGZVSLQZIAY-HZZBMVKVSA-N 445.383 0.776 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799354957 GQACBYZNOSEDOI-XVIXHAIJSA-N 437.896 0.386 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc2nn[nH]c2c1 1800143757 BDVNGCJSZPTTJT-DJBIQUGXSA-N 426.246 0.852 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801787357 KHQIAXVFRQRCRB-UPHUGPLXSA-N 445.520 0.221 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807048221 QBJXJWVNYZUWOA-PWDMQXDWSA-N 444.363 0.917 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cn3cccn3)C2)CC1 1810170441 FJQSSVSSPIPCHG-UHFFFAOYSA-N 425.493 0.427 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813033896 WNAXMHVKVWNSAM-GJYPPUQNSA-N 439.944 0.714 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1813074491 TWGQZPDYAQLGRJ-HTAPYJJXSA-N 441.536 0.735 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1815896019 YVTPXKFVLGDODE-CQSZACIVSA-N 439.306 0.648 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)O1 1817476299 OWHDJIORPWPASD-FSPWUOQZSA-N 426.282 0.963 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1824459391 PVHJJDXBXYYJPS-KBMXLJTQSA-N 437.990 0.534 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1cncc(O)c1 1825719639 AIBIQTALONHEIN-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826856660 RTFIGVSRVLYTRB-HXUWFJFHSA-N 429.370 0.988 50 20 ICGD Cn1cncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925687 PEKWGIICWMGKJZ-SFHVURJKSA-N 439.520 0.966 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830233657 CREICYZKTOQXFE-FXAWDEMLSA-N 442.896 0.130 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1830329015 NELWXVXTKKVUDX-RDTXWAMCSA-N 430.509 0.053 50 20 ICGD O=C(c1cncc2cnccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731214 HXDCDDCFJYFKFY-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945387 VQMPUCFZRLTAIM-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092523 PVXUPHJVYZBDFV-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833771790 ILAHIJKLAXZHFT-SFHVURJKSA-N 439.919 0.917 50 20 ICGD CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834715512 LYQGQPKOPIQQHC-QGZVFWFLSA-N 427.977 0.440 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1834826105 BFNHWMDLZHPORB-SFHVURJKSA-N 442.310 0.571 50 20 ICGD COCCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1835184871 LDGNMGVMJORNLU-GOSISDBHSA-N 441.960 0.314 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836140336 SUKHFHIHABZHLJ-UHFFFAOYSA-N 435.601 0.807 50 20 ICGD O=C(c1cnn2ncccc12)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717601 GMHCZWKFEPIBTD-GOSISDBHSA-N 435.912 0.941 50 20 ICGD CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718896 HWLJBUIUQBVLLZ-HNNXBMFYSA-N 434.990 0.069 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717335 CDVUQCAXPBGTJU-YJBOKZPZSA-N 434.631 0.408 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839146371 YCIQJIFSCRXCAD-NHYWBVRUSA-N 430.807 0.566 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839963914 AEZXTZQHQBBLPB-RHSMWYFYSA-N 429.315 0.582 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840149993 CSFCJNWECBUTTH-LIRRHRJNSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840150680 OZXCYITWICZRNM-FXAWDEMLSA-N 440.928 0.471 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840189556 YHYFBJNFIOXCFH-LPMFXHHGSA-N 448.347 0.648 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316129 FMNWGJMBZKFREY-FRQCXROJSA-N 447.315 0.430 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(Cl)nc3n[nH]cc23)C1 1843204821 ANQSKAYRPSZHBQ-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)C1 1843341510 KVOPCDSRGSPPTR-IBGZPJMESA-N 434.500 0.217 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)n1 1843586675 BVBRKHFVWSTYKN-UHFFFAOYSA-N 434.453 0.188 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccno1)C2)NC(=O)NCc1ccccc1 1845038608 YELOOUCLBGLEBP-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 15716242 RYYREPRATIHCFQ-UHFFFAOYSA-N 433.417 0.660 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1SCC(N)=O 24396720 KRLYHRWDRKKVOB-UHFFFAOYSA-N 435.531 0.940 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 104747838 AGIUWEVVOVKZEA-UHFFFAOYSA-N 432.502 0.889 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 725740466 WEIBONKHKYYKCX-UHFFFAOYSA-N 430.895 0.964 50 20 ICGD C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 725908510 FCEGZZMKIAHDDQ-UHFFFAOYSA-N 427.552 0.068 50 20 ICGD N#Cc1cnn(-c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)c1N 727241226 LKLXNISBHKZJBR-UHFFFAOYSA-N 438.473 0.694 50 20 ICGD CN1CCN([C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2)CC1 727764694 HNCIHGICPOGWKZ-SFHVURJKSA-N 444.561 0.729 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc(I)c1O 728436838 SZZGLQAERPRQNO-ZETCQYMHSA-N 441.247 0.393 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728890089 VQNGDZVEUTUKAB-UHFFFAOYSA-N 446.533 0.761 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2c(C)nc3c(c(O)nn3C)c2C)n1 729753111 CNBJGRJLCURBEL-UHFFFAOYSA-N 446.489 0.531 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)CN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCC(N)=O 730552793 MMIVMRHYOQRSMX-RBSFLKMASA-N 436.509 0.763 50 20 ICGD Cc1c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nnn1-c1cccc2c1CCN(C)C2 731458702 OTGONHZNBKNPCR-INIZCTEOSA-N 432.550 0.670 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1OC 731685924 LPXZTBPPBVKSGB-UHFFFAOYSA-N 442.538 0.547 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 732307693 KNZGXFAGGOVDQZ-JSGCOSHPSA-N 446.323 0.599 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1=O 733126021 NSYYYKRCYIIBOZ-KBPBESRZSA-N 426.477 0.429 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)N(CC)CC)CC2)cc1C 736308573 PREVGIDKZKZFIK-UHFFFAOYSA-N 445.611 0.584 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1 742036440 KOMWCIJKDAVLOV-LLVKDONJSA-N 427.458 0.069 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 745996469 ZFWUXQRVPVDAKE-UHFFFAOYSA-N 432.449 0.439 50 20 ICGD CC(C)c1nnc(CCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)o1 746892167 OMIBWOYMAUREPJ-UHFFFAOYSA-N 437.526 0.600 50 20 ICGD CSc1nc(-c2ccco2)nc(C)c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747365624 OGHMAVCJQFCVLK-SNVBAGLBSA-N 425.492 0.898 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 748790610 ABOMHYLLZBRIOU-GFCCVEGCSA-N 435.955 0.840 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 749874076 KCCMQDAKABNDAW-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O 751210422 FDJAMBGUVLVNLR-MRXNPFEDSA-N 428.470 0.946 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751271299 MVBXMECRHKIEGY-VIFPVBQESA-N 448.910 0.576 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)cc1 755863260 AHMOGHNUMJFFGP-UHFFFAOYSA-N 439.428 0.622 50 20 ICGD O=C(NNc1ccc(-n2cccn2)nn1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756148644 DCZBJNVMSLHKNB-UHFFFAOYSA-N 434.404 0.602 50 20 ICGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 756827794 YJKIMMCJESHIDE-UHFFFAOYSA-N 433.490 0.717 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Br)nn2C)cc1 757764734 HNMVNAHKBDKEJT-UHFFFAOYSA-N 444.311 0.573 50 20 ICGD O=C(CCc1ccco1)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758029429 KVERRNREYOYSRL-UHFFFAOYSA-N 442.432 0.946 50 20 ICGD N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 758512173 IUXVQQRWZPBNBI-UHFFFAOYSA-N 429.296 0.114 50 20 ICGD O=C(COc1ccc(I)cc1)NNC(=O)C(=O)Nc1ccccn1 758839629 LFODGGNIXOMDIP-UHFFFAOYSA-N 440.197 0.851 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)n1 763892886 MNYRXZHGAGUJBX-INIZCTEOSA-N 428.493 0.679 50 20 ICGD CC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 763950239 VPYVOGWYDBQZOB-UHFFFAOYSA-N 436.428 0.960 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c1 764136325 OOWRSGDMWMZSTD-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)c1C 764253312 PKOJPMHIDUCCHV-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)ccc1N1C(=O)CCC1=O 764363373 NUEUZIPFRFYIAL-UHFFFAOYSA-N 438.440 0.951 50 20 ICGD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cn1 764430613 WYCYORIIVUSYBH-MRXNPFEDSA-N 430.417 0.692 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(C2CCCCC2)C1=O 765632777 HDHZLNJEBHTDCK-AWEZNQCLSA-N 436.538 0.857 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)n(C)c1=O 765730736 NNXZRSDRTSICSF-IRXDYDNUSA-N 446.467 0.538 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1c(=O)cnc2ccccc21 765733004 LIAJVJZMNJEAMH-UHFFFAOYSA-N 448.483 0.002 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@H]1CCS(=O)(=O)C1 766556223 PNGNECJCZUGJTG-UWVGGRQHSA-N 432.861 0.350 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cnc2sccn2c1=O 767775427 GDQOPJXXKUYCBN-UHFFFAOYSA-N 426.502 0.729 50 20 ICGD C[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@H]1CN(Cc2ccccc2)CCO1 770397858 QODBMZCQUXNMCW-CZUORRHYSA-N 426.481 0.985 50 20 ICGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 770447154 XXNRSRORRMRRNN-SFHVURJKSA-N 439.582 0.310 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 771443051 HHEPZLRQIRSGBO-BEFAXECRSA-N 440.522 0.284 50 20 ICGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1OC 771758124 LWTSFYSZLKXWAK-UHFFFAOYSA-N 440.430 0.585 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 771849608 HLPOSPYBPJVBMN-NSHDSACASA-N 434.478 0.649 50 20 ICGD COc1cc(C(=O)CCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc(OC)c1OC 776979840 YIKOEXLRKRISOZ-UHFFFAOYSA-N 430.417 0.856 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 778708328 YJANOZDZXSAXBG-UHFFFAOYSA-N 445.363 0.784 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@@H](C)O)cc1 779497754 CKTNPWLYBHXPLN-IAQYHMDHSA-N 426.882 0.532 50 20 ICGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1(C)C 780155247 YZVPXWYCVLSEJZ-DLBZAZTESA-N 437.518 0.720 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(C)c1 782889284 YIIPMABISYUARL-UHFFFAOYSA-N 436.472 0.960 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 782896153 BSINJIUQPYUDGM-UHFFFAOYSA-N 448.505 0.809 50 20 ICGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 783286613 NFHPEIYYLJWPDT-CQSZACIVSA-N 426.495 0.567 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cc(C)nc(C)n3)cc2)CC1 783326650 YZJHCNRGASGAOD-UHFFFAOYSA-N 439.520 0.882 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)[C@H]2CCCO[C@@H]2C1(C)C 783592435 DIPBOHGOMXYWFQ-RXSFTSLZSA-N 438.525 0.855 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1 791626575 WRANTIZIPSZBBL-FQEVSTJZSA-N 441.536 0.567 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 792539142 PMGFGCWPDWIXIU-UHFFFAOYSA-N 431.430 0.950 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 798309071 GNNUHANCNZOMGN-UHFFFAOYSA-N 448.520 0.727 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)c1 800694563 GCCAWTQHNRWLQC-UHFFFAOYSA-N 430.914 0.752 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 801105920 LOMDPXSTEQAGOL-GOSISDBHSA-N 440.378 0.713 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)N1C(=O)c2ccccc2C1=O 803436854 AMTCOUQPGPRMOL-KRWDZBQOSA-N 433.424 0.902 50 20 ICGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 803963010 XNFNBPKECXUYNL-ACJLOTCBSA-N 428.397 0.797 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 808937164 CFJAUQWKYPOOSP-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(C3CCOCC3)nn2)c2ccccc2c1=O 809953077 FWELQKLADOMJRP-UHFFFAOYSA-N 425.449 0.824 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccccc2O)cc1 810356135 OKMMISNOMHNDHU-UHFFFAOYSA-N 434.474 0.409 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CCCC1 811678633 XSNXQKYUPQOQJA-UHFFFAOYSA-N 446.551 0.586 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 815778457 RWKILYLBROEGTA-QGZVFWFLSA-N 431.470 0.925 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 916278088 GAHGKZVPGGQZFT-UHFFFAOYSA-N 444.473 0.566 50 20 ICGD COc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)ccc1OCC(=O)N(C)C 916641581 UVPGZYGCAXFHNS-GOSISDBHSA-N 428.511 0.043 50 20 ICGD O=C(NNC(=O)c1cc2c(cc1O)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 916736400 OITBIHDFWRMSPL-UHFFFAOYSA-N 433.442 0.980 50 20 ICGD CS(=O)(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 918778962 UXNUKTBTRDTNSO-QMMMGPOBSA-N 425.330 0.879 50 20 ICGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c1 919889791 UJAGJYOBWYUAFT-RYUDHWBXSA-N 426.520 0.279 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 920424290 PUPYRGYNPDRHOL-HNNXBMFYSA-N 429.408 0.481 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029025 QMIWDEUBXORXIW-LJQANCHMSA-N 430.490 0.207 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780806716 DSLFUHCDIJUJHE-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1781900568 NDKNZGUMJZQTLR-JJRVBVJISA-N 428.331 0.966 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC)nn1)C2 1782173695 MNOYOUIKMAPRFH-ZXYWRSMDSA-N 426.901 0.867 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782736892 ACCMWLFMEWAYTO-MNFOOTCESA-N 429.502 0.004 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1783880385 DRLMUIWVQDRXPL-MDKPJZGXSA-N 434.924 0.836 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784803086 QOZRTRJOLSPEQR-PGRDOPGGSA-N 444.536 0.001 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980856 ANJOUYZCLZKGPM-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788258839 ZAORWHGGYQIIGO-MJVIPROJSA-N 444.319 0.414 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnccc1Cl 1788798471 GNEVHAVAZPYYIM-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(F)c1 1789512289 OAHKKCAVUIWIGB-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)cc2N1 1790501929 CUZRJVUJBIMACW-ONIAQPFYSA-N 435.908 0.764 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(Br)n1)C2)[C@@H](O)CCl 1792978064 BIRNRZGIKSOFOP-OEIWMXHLSA-N 438.731 0.709 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(Cl)cccc3n1)C2)[C@H](O)CCl 1792978388 SUOPKLNASOZJMY-DDFXLWFNSA-N 427.288 0.791 50 20 ICGD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793958982 UFHPSAKZCWBFSU-AYRXBEOTSA-N 443.273 0.092 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794404830 DPMPIYIVEBOGAK-IARIHHJXSA-N 443.953 0.847 50 20 ICGD CSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735205 PFDWUNGGULQECC-JLVBRIDZSA-N 441.318 0.000 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796032321 GTQDSIPMGWDQRC-UJLMUCCTSA-N 428.399 0.893 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccncc2)[nH]n1)c1ccc(B(O)O)cc1 1798825112 RVUQIMCWDWHPMS-REPLKXPHSA-N 445.288 0.717 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804186655 IXIOUPGYVMMVQF-BEFAXECRSA-N 447.568 0.491 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1813032062 ULHTUJTWPJALJE-WWGRRREGSA-N 435.868 0.856 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnc1 1813068653 PKJPYJIIWBBEJS-PLMTUMEDSA-N 441.536 0.918 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815235060 DIGBGIBRAQBUEN-KRWDZBQOSA-N 441.297 0.310 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n(C)n1 1815339990 ZFBNPPZAYJDFOQ-CQSZACIVSA-N 439.306 0.404 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1818107271 IIXONLLPLUUSOP-KBPBESRZSA-N 447.945 0.427 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404242 FRFHSMNWMMOZPE-AWEZNQCLSA-N 444.452 0.070 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801147 ZKMXTFCRCZVDIP-NWDGAFQWSA-N 445.549 0.708 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826127458 XNNOBYIMGYMNCD-UKRRQHHQSA-N 449.363 0.163 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2)n1cnnn1 1826986520 FGAUWPGHUKPAMR-MATHAZKKSA-N 432.279 0.993 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830332410 JVAGRSMMSWIOAS-WWGRRREGSA-N 438.294 0.048 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830546639 UVNFUFWNWUHLJS-WMLDXEAASA-N 444.330 0.156 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830719859 MSCCWOGQVNNVBS-WIYYLYMNSA-N 435.908 0.547 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1831650210 FPONVVDUYXPMAJ-YZVOILCLSA-N 432.949 0.558 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831882816 LEARDESTYGKALN-GOSISDBHSA-N 448.350 0.418 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(C)C 1833310351 RHLPHEXLHDMBPA-MSOLQXFVSA-N 431.961 0.745 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833422636 FJQQMBPNGBUQOX-RHSMWYFYSA-N 430.977 0.727 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1833533650 INCVYCKOTGXDFF-GHTZIAJQSA-N 445.004 0.616 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833893850 OHXVLLCXPMGLID-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1836397397 ZMAYXWKNNCBXBH-HNNXBMFYSA-N 425.965 0.909 50 20 ICGD O=C(O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)ncn1 1836715274 OIQRJTMFPLHTQL-MRXNPFEDSA-N 440.884 0.387 50 20 ICGD O=C(c1cnc2ncccn12)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717099 HWNMEZFHJUFUFY-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD CC(C)(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456711 MQSDZTNQIIGROA-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1837639263 DIGROKOBNGLTBE-TXPKVOOTSA-N 427.933 0.778 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837646803 CFAOLLRQOZWWCR-ZTFGCOKTSA-N 448.351 0.607 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1839966193 XHFFIAFZMJZVHU-PBHICJAKSA-N 429.315 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1840151106 VOFVPVGKBUBKAP-TWOQFEAHSA-N 447.960 0.247 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840153145 FXJIOIHBQGMMFS-BLINCGSOSA-N 427.885 0.409 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840153220 HUXVXJCAHVWAFP-UGSOOPFHSA-N 442.925 0.720 50 20 ICGD Cn1ncc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C(F)(F)F 1842161605 KJJQQILOCQMFFF-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1844265121 VZQHUAYQSQIGLE-UHFFFAOYSA-N 440.416 0.430 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)cc2NC1=O 1844730880 QWUIMYNPCKPFFG-CQSZACIVSA-N 443.504 0.596 50 20 ICGD COc1cc(F)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1845379811 KMIVINITRRRPIY-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1847063599 CEBFPFAXGHCZAE-UHFFFAOYSA-N 429.521 0.301 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165164 CEDMAIWQAPKCHB-RQPWHRJUSA-N 442.436 0.127 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 11341819 VAXBUDPTQPPIBB-MRXNPFEDSA-N 431.357 0.748 50 20 ICGD CSCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726278895 MTZFPMYGQMBLPL-UHFFFAOYSA-N 430.552 0.334 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCc2ccccc2)cc1 728510431 YMAWKNLRWNPFDS-CYBMUJFWSA-N 427.504 0.513 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(F)ccc2Br)C1=O 728610685 KOXZPPZPKCQDQT-UHFFFAOYSA-N 427.186 0.326 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)NCC(N)=O 731473611 TUSBRPXMOBCJAH-SDQBBNPISA-N 445.277 0.696 50 20 ICGD O=Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 731631295 WUBBBTKHAQGQGQ-UHFFFAOYSA-N 428.405 0.640 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 733255823 BRSMMONEBKGUHC-QGZVFWFLSA-N 435.440 0.593 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cnn(C)c1 735472708 AESLQMKDFJZXKI-HGPCXVNDSA-N 437.547 0.893 50 20 ICGD C[C@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 735867503 DBQBKFPXMPJNKZ-CALCHBBNSA-N 432.525 0.846 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 736152957 NHKKVTFFTRSCSD-NNVROAHOSA-N 443.548 0.708 50 20 ICGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 742471202 GKFBGRSRVYYSQW-ZDUSSCGKSA-N 440.485 0.701 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)o1 742583504 RRAKGUHPUFMEDS-UHFFFAOYSA-N 436.490 0.455 50 20 ICGD CCc1nncn1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 745911037 CXBRGRXXXOVTDI-UHFFFAOYSA-N 437.526 0.515 50 20 ICGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 746093218 NKTISVUTKAGTAS-IBGZPJMESA-N 446.529 0.647 50 20 ICGD N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 750046659 GIVKYPDOUGDBNL-UNNAMRCLSA-N 433.490 0.380 50 20 ICGD CC[C@H](NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)C(=O)N1CCOCC1 753055819 FRXUNNSPECUJRT-AWEZNQCLSA-N 428.515 0.032 50 20 ICGD CN1C(=O)C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 755094267 UBVDIJHKEWHSHJ-UKRRQHHQSA-N 425.848 0.704 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCc1ccncc1 755666479 NOURFMKLOVWDSH-LBPRGKRZSA-N 437.478 0.760 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 758047942 ZPYURRGMKHQBSP-FZMZJTMJSA-N 447.355 0.671 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 760172622 MVEYYMUKTXHSOD-FZKQIMNGSA-N 447.854 0.971 50 20 ICGD O=C(CSCC(F)(F)F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 761191641 HSEFUCDZUJZDQV-UHFFFAOYSA-N 441.453 0.764 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncc(F)cn1 762081099 UQZWVYBGTCVABM-CYBMUJFWSA-N 429.861 0.946 50 20 ICGD CCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 763437435 BNWXWOHUDVRKAY-UHFFFAOYSA-N 425.511 0.423 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 763462229 KUCXOTFIYRTSSR-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763508397 IDOAOOGFIJKNQX-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572100 PUDOBDMOCPZWDJ-SCLBCKFNSA-N 441.440 0.964 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(F)cc1OCC1CC1 763916733 JZUSYWIWGJMAPZ-UHFFFAOYSA-N 439.407 0.990 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1=O 763936368 HNMXXXAHAJFHIP-UHFFFAOYSA-N 434.836 0.393 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1C)CC2 763958236 SNYBVGKHTVKXHC-UHFFFAOYSA-N 430.486 0.644 50 20 ICGD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2o1 764003079 XSQGDFDVTWKXGD-NSHDSACASA-N 436.490 0.937 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccccc1CN1CCNC1=O 764126026 FCZIXULAQUPKKH-UHFFFAOYSA-N 431.836 0.971 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764344267 WKEKMXKHGDITDQ-UHFFFAOYSA-N 441.473 0.215 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 764387831 NMZHHYADIRZWQV-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 764426669 VRJVUGNOCMOFCP-AWEZNQCLSA-N 446.382 0.043 50 20 ICGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 765733111 NLJCUWJXZGSYEQ-WMZOPIPTSA-N 438.550 0.406 50 20 ICGD CCCCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636186 MEKFSULTERUPCE-UHFFFAOYSA-N 426.539 0.265 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1cn2ccccc2n1 767644881 UJPHGTCWRQQJAY-UHFFFAOYSA-N 429.502 0.673 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC(F)F 767714932 MXEGSEQHCBQLKE-GFCCVEGCSA-N 426.332 0.166 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768242546 SGKIKBKDHAPPSN-UHFFFAOYSA-N 448.439 0.823 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc([N+](=O)[O-])c3O)cc2)CC1 769016906 NLSPKJXHFWXYNX-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)nc21 770985091 YGQQMAKJDHPUPD-UHFFFAOYSA-N 446.221 0.571 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 773481604 URSPBVSAFGYJCZ-UHFFFAOYSA-N 448.505 0.505 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 782967169 SAMJJJNLRBVOTQ-UHFFFAOYSA-N 437.172 0.832 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 784000336 YGKASPAHBVNHMZ-UHFFFAOYSA-N 445.863 0.258 50 20 ICGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)CC2)C[C@@H](C)O1 786925525 DHMNXVLUHNXADM-VZSJXSDZSA-N 434.518 0.797 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cn1 789810647 PTMULBNYXBYUBT-ROUUACIJSA-N 445.439 0.798 50 20 ICGD CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(O)nn1 790143975 DTYIKIJBTCGLAO-UHFFFAOYSA-N 433.490 0.676 50 20 ICGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 793387993 KOFIVRXXOKWZIN-UHFFFAOYSA-N 439.446 0.342 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2=O 794060849 PQZGXXJEZUSHCB-QKKBWIMNSA-N 445.476 0.561 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 801111916 UEGODVSQEABFDW-UHFFFAOYSA-N 430.895 0.774 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1ccc(Cl)cc1 802021750 AFCUPOZVSFKTNS-JTQLQIEISA-N 439.881 0.959 50 20 ICGD COCc1csc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 806972791 LUKQTSFFWQCYGD-UHFFFAOYSA-N 446.533 0.588 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 815568474 JERHFRBUQWEMJB-GOSISDBHSA-N 433.472 0.528 50 20 ICGD Cn1nncc1NNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 816769365 DUQPGGZPUOIBOM-CQSZACIVSA-N 442.505 0.994 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC2COCCOC2)cc1 816921199 PCTFQHRVMGGJDY-YBEGLDIGSA-N 439.472 0.873 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2C1 914831312 IEMABHJBOXVMCC-BNOWGMLFSA-N 439.559 0.670 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)N2CCCCC2)cc1 916437341 HGTXQHMSUPFHOS-UHFFFAOYSA-N 439.538 0.349 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1116475705 CVWDLVHGUOJNDP-FZKQIMNGSA-N 427.479 0.141 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cn(C)nc2C(F)F)CC1 1319490271 MFLUTMSJKKESDC-UHFFFAOYSA-N 429.453 0.446 50 20 ICGD CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NNC(=O)c1cccs1 1319870634 NXMVHXHSCMMKBW-ZDUSSCGKSA-N 440.522 0.994 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777918629 ZSAPLOQYDMRGNI-JOCHJYFZSA-N 430.505 0.533 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778307250 HHBNZQCKRWRQPG-KRWDZBQOSA-N 426.200 0.152 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)c1 1780177719 FKYBIVVOYXWOOG-DENIHFKCSA-N 436.277 0.007 50 20 ICGD O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332844 FPXVAMISZMUKIW-MJVIPROJSA-N 427.292 0.084 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781661260 SOIBWADLHCMWEH-ATNYBXOESA-N 436.958 0.331 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1782175024 AQXBSZZNCHYSPM-XTQGRXLLSA-N 429.861 0.699 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936678 KUJMRKQGASUCJB-QFIPXVFZSA-N 432.521 0.441 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783964194 MICPEFMQBJIZDP-MXAVVETBSA-N 432.359 0.912 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983371 ZUBWUYYQVRQBJT-ZANVPECISA-N 430.221 0.278 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785562140 QXDVJVUYDPDUSR-HZUJVAHNSA-N 437.924 0.889 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)n1 1787636657 AQIBQVZJEZCJMK-JURCDPSOSA-N 447.305 0.813 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788142325 OLHITLNJMYZMIS-HNNXBMFYSA-N 435.289 0.805 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1789860437 UJOWFETYRZJDOA-MEDZGJRSSA-N 444.941 0.449 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1790961692 ORWYPSVQFZRODM-XQLPTFJDSA-N 430.343 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCSC3)[C@H]2C1 1792200848 ZMDYTOBUBSHLSM-QAETUUGQSA-N 426.583 0.482 50 20 ICGD Cc1scc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1C 1794956996 NDGSVUBEPRMGFT-ZSBFGKGUSA-N 443.529 0.880 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)F)c1)C2)c1cccc(B(O)O)c1 1795737243 JERAXZXHPFPJNL-JLVBRIDZSA-N 445.231 0.216 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c[nH]nc12 1796175233 JGCAXJCMRWKTQJ-ZSBFGKGUSA-N 449.471 0.078 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)s1)C2 1796441867 BKDBUMASSZVBON-QHWVMAKGSA-N 444.517 0.789 50 20 ICGD Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(Cl)Cl)C4)ccc21 1796983093 SJWSNQBZYGQZML-JJLQDPRZSA-N 441.315 0.884 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)c2ccn(C)c12 1799121534 GYJUAEVNTZHHJI-QDMKHBRRSA-N 442.520 0.904 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)cc1 1799298227 UQIMAFYTOFJMGW-WMIGDMCZSA-N 438.289 0.079 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2)[C@H](F)Br 1799347170 HNLSPVRDLPBLAA-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1803008454 KIAKBMYOBISVSF-KYOSRNDESA-N 425.331 0.601 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnccn1 1805428504 QJSBXHGKHSQYRO-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCCC2(CCN(C(=O)[C@@H](F)Br)CC2)C1 1806590509 QALVAKOWLZDDPD-CYBMUJFWSA-N 433.278 0.460 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366596 ZXTKNJRDPFWYOP-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCC=CO2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376732 XOYRFTPFRROKOL-TYPHKJRUSA-N 435.289 0.774 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3ncc(Cl)cn3)C2)CC1 1807896931 ZWLQHWGTRYCNEE-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1810307713 GOAKBCSWHJXECQ-LIRRHRJNSA-N 436.472 0.379 50 20 ICGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812387566 OVBQQCMXWKREBB-HOCLYGCPSA-N 438.912 0.895 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814927369 ALNJWRIPNUICIT-RKDXNWHRSA-N 429.344 0.678 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816675130 HNEIIWBRAQBZJB-RXMQYKEDSA-N 443.276 0.299 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886516 KHXYEBGNTNTAET-YVEFUNNKSA-N 442.614 0.557 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)nc2cccnn12 1820143662 AOOXMXUKKKLHCG-OCCSQVGLSA-N 445.867 0.718 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1822861157 WXRJYMHDAZDXHG-VPTHRUTESA-N 448.332 0.843 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc[nH]n2)CC1 1824670997 IGOAFEBWWSIHCV-GOSISDBHSA-N 425.493 0.955 50 20 ICGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537190 CQEYRKCGQKEHSK-PBHICJAKSA-N 437.331 0.137 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 1830726852 UOZSMYOXWMLEAO-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1834087202 FSWZZYUIWGIKHW-CXAGYDPISA-N 427.299 0.638 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834301039 STQXMAKXZLICJG-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834417941 ZRBIHTBLVQDJSZ-CXAGYDPISA-N 429.315 0.756 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCBr)CCO3)cn1 1834822570 WBANOUCBLGVNAX-SFHVURJKSA-N 443.342 0.594 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835680603 MXILDUBOOIPUTD-DYVFJYSZSA-N 449.321 0.415 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837807448 WSFJBORZBGNPST-CJNGLKHVSA-N 433.278 0.787 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1 1837920433 YCGAFVZNGOPOFJ-SFHVURJKSA-N 436.264 0.634 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1839762242 DFVGXZRPWPKLGJ-KBXCAEBGSA-N 432.901 0.040 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1842186064 RHWTUOJPQHXEJP-UHFFFAOYSA-N 445.520 0.837 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010360 IDKSHQMKLANYJL-UHFFFAOYSA-N 430.310 0.695 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(O)c1OC 1843014577 AZVNNFZBKFJTCK-UHFFFAOYSA-N 440.261 0.220 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843974785 PTARRMXYEUFYNH-HNNXBMFYSA-N 429.359 0.527 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(C)C 1844162720 NABLCWADWMKNIE-DMGPTTAYSA-N 431.493 0.912 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1 24332457 YBBLQNLCJDJGLX-MRXNPFEDSA-N 433.486 0.690 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2-n2cnnn2)cc1OC 104515799 IGTOXMUKIISLBH-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 725741595 SBKZWAPYYZAQCY-CQSZACIVSA-N 438.444 0.586 50 20 ICGD CCN1CCN(Cc2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 725871512 MFTUIMAYSPDRMJ-UHFFFAOYSA-N 442.520 0.678 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 726710479 BJTDTULEDOUNPS-UHFFFAOYSA-N 440.508 0.226 50 20 ICGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216324 WEQMSPSVVNHUMB-WBVHZDCISA-N 426.539 0.650 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)n(C)c2)C1 730161452 GCQLBPAQAWHHFV-GJZGRUSLSA-N 446.595 0.552 50 20 ICGD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 733732028 RWFQZLMIAPFJMX-ZDUSSCGKSA-N 425.488 0.407 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 734672731 FQIOMKNZAPUEHG-UHFFFAOYSA-N 426.426 0.391 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 734983677 XTGJEOVFOKMQPH-CYBMUJFWSA-N 430.552 0.777 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCOC1 739472698 XHLHIXKQCJKLMV-INIZCTEOSA-N 425.507 0.214 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)C(F)(F)Oc3ccccc3)cnc21 741654187 LYWDUBSHISGVPN-UHFFFAOYSA-N 441.372 0.015 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc(OC)c1OC 743505455 BMTASJJGKMQGCC-CYBMUJFWSA-N 446.464 0.504 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c2ccccc2c1=O 749388839 FBMKPMGYPXWKCP-UHFFFAOYSA-N 443.485 0.670 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 750328401 SOPREBVSQGECKZ-UHFFFAOYSA-N 435.462 0.836 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNc2cc(Cl)nc(N)n2)cc1 753452204 OQYZPKAJBCAMCY-UJZCVKTISA-N 429.868 0.959 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-n3nccn3)nc2)c1 755947285 FVFTXSUKGALFKP-UHFFFAOYSA-N 430.450 0.379 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 756587272 ZMBXKBXWIDDJPU-CYBMUJFWSA-N 444.510 0.684 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c2ccccc2c1=O 756748042 VAANBQDCZMTBGJ-UHFFFAOYSA-N 449.431 0.867 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 756840574 XRCKDXSXOODZSI-CHWSQXEVSA-N 445.436 0.894 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cn1 756843306 CIRSTXHRDMTPSU-UHFFFAOYSA-N 440.464 0.811 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 758050224 AAJWCAGULBRLPH-SCZZXKLOSA-N 437.305 0.431 50 20 ICGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 760133844 XEVKDKZXBKWITA-SJORKVTESA-N 440.522 0.609 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 763679774 CSGNLAVIDDPVDT-UHFFFAOYSA-N 429.408 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)C)cc1 763737973 RIGOIQGKOIXCTO-UHFFFAOYSA-N 447.517 0.468 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1C 763850584 OTKNVXLRKKNGAT-AWEZNQCLSA-N 442.476 0.332 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 764136089 NPJXGIGBHKHBBR-UHFFFAOYSA-N 425.405 0.008 50 20 ICGD Cc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764345783 VOPZLHIPFJXAAB-UHFFFAOYSA-N 439.501 0.905 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2cc(Cl)ccc2n1C 764818011 MZUDGYUGHIBWRK-UHFFFAOYSA-N 442.867 0.514 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n[nH]2)c1 765577808 XDOANKHVUAPNMG-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD O=C(NNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1 768847579 HYGSVLUFUDFWMV-UHFFFAOYSA-N 441.491 0.695 50 20 ICGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196033 XHMIJKFAQPXADY-UHFFFAOYSA-N 444.922 0.534 50 20 ICGD CC(C)(O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776259760 RRBRECBOCRBHOE-UHFFFAOYSA-N 442.538 0.132 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 778436705 NULARFNECVRCDH-NSHDSACASA-N 439.494 0.176 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778711097 UYSGBZRIBBLWIR-SNVBAGLBSA-N 446.913 0.685 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 784003840 PKDRHKYTGJSNGW-UHFFFAOYSA-N 445.379 0.600 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)c1 796987074 YOADGNQBOBYXPK-UHFFFAOYSA-N 447.473 0.735 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 797369002 LNWRXYJBJXVTAB-INIZCTEOSA-N 444.448 0.074 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)c1 797371480 VHXNJNGLZPYLPI-UHFFFAOYSA-N 433.490 0.868 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 802719982 AIDNABZOEFPBCN-UHFFFAOYSA-N 438.487 0.678 50 20 ICGD N#Cc1ccncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 805156254 NVFUVBBVDXHAOI-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806977238 AOFOBSUJAVUHIP-QGZVFWFLSA-N 441.419 0.835 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(C(F)(F)F)nn2)cc1 810728598 UVQBUJYLWBCLOS-UHFFFAOYSA-N 432.384 0.875 50 20 ICGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(OC)c1 815778452 RSESHKWDYDJGAX-CQSZACIVSA-N 447.448 0.222 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)cc1 916112628 XRDBTRRFSLELNS-UHFFFAOYSA-N 449.606 0.939 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 919886296 RCZXTPZKROKLRI-NVXWUHKLSA-N 436.534 0.673 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777772955 NFWSFLCWNRDKSN-DHSLWRBWSA-N 442.480 0.066 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380585 KBLGZBLRPDFOOJ-VLIAUNLRSA-N 437.928 0.868 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1F 1781672002 CKICLFJFUNVHBS-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782345024 JRCGUNPUERDPGA-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783537094 KITJLVBZSRKZOX-RKVPGOIHSA-N 431.375 0.236 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1783934800 MJLXCCPZRPVGQJ-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784734360 YPYDNBMIYSBDHU-JURCDPSOSA-N 426.311 0.762 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981531 ONRMSEJREDQROO-UHXUPSOCSA-N 429.315 0.358 50 20 ICGD Nc1ccccc1/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979965 UVNUACYSDGQYCB-LDLMYSLFSA-N 449.316 0.255 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@@H]21)c1cccc(B(O)O)c1 1786985290 ZMDBBZDDFLDIKY-XTMJBTMZSA-N 440.349 0.786 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)CCl)C[C@@H]32)CC1 1788244606 CAVUQVYBZJYJHN-BZSNNMDCSA-N 442.988 0.395 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccc(F)c1[N+](=O)[O-] 1790133499 SSFAGYFVLFFHGN-LVGORTOPSA-N 429.832 0.927 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4cnccc34)C[C@@H]21 1791291525 WLIWHMBTLHSWDD-FNHZYXHNSA-N 442.520 0.529 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792987449 QKSYYVSAAAZIPQ-RVMXOQNASA-N 438.326 0.968 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1793446374 AHRYWDAFWJEABD-DGADGQDISA-N 447.960 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)c1ccccc1 1793721122 YLGLVTNTOIUQKF-WTLGNFPFSA-N 441.463 0.599 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2 1795735237 JPGJJPRHJGVXNM-BJWYYQGGSA-N 430.505 0.969 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)C(=O)O 1796793884 OYFIXWCTGOLXII-JGPRNRPPSA-N 425.392 0.047 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)C2 1796889520 APWREUSPZAGQIE-NGYDUSEUSA-N 431.497 0.030 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799073115 VVPKNGGFIFUEKB-XCCSTKFXSA-N 430.889 0.016 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281344 JEPKKWVITYDMDZ-UMPJEAMMSA-N 440.884 0.754 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802256911 ZTKGYSHATRFDEY-CVYSASLGSA-N 442.321 0.598 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCn1ccnc1 1802875229 RWFBOWKYXFWGMM-MUJYYYPQSA-N 425.493 0.614 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805718551 SJGJKOSQOCFBHM-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365258 MKLIQDLTVNFESB-WMQCIHAUSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366717 GNFBOPMTTWYGMG-HMRDUNCJSA-N 445.288 0.518 50 20 ICGD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811074017 MLSZTWMNCJXXCB-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1813458637 UYYYPFHBHULHDQ-KNQAVFIVSA-N 447.304 0.057 50 20 ICGD Cc1onc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1C 1815350585 YQCHLHLBRYHXKL-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCOC2)[nH]n1)c1ccc(B(O)O)cc1 1817475781 UMTVUIOCOAXTCM-MAUKXSAKSA-N 426.282 0.822 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923734 WBECXHQUXIHSAU-RBUKOAKNSA-N 431.537 0.935 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705340 FGUULUDLNLYZMU-IBGZPJMESA-N 434.002 0.757 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n[nH]c21 1830728201 QFOHMJYSSOIKIJ-TVZGQMOCSA-N 426.901 0.129 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831653902 GOLDHWNZHUKBII-JXFKEZNVSA-N 425.913 0.863 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833546357 SRIKBTLBUCFUSP-SFHVURJKSA-N 445.004 0.974 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833573841 OWGDDZVVUJDLAM-UGSOOPFHSA-N 446.863 0.106 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1833826565 OWLZIHSUUJDLSY-PIGZYNQJSA-N 443.298 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(F)cn3)CC2)CC1 1834299624 JTWFIJBYIXPMJQ-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC3CCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800411 GFVMFYZTKWNTMA-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1[nH]nc2ncccc12 1835020217 PVXJJJILPWWFCH-MRXNPFEDSA-N 434.928 0.743 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835167137 CZKHSMYBXMVDDS-QRWLVFNGSA-N 440.880 0.014 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1836397384 YUWNYPAUZMTIMT-ZWKOTPCHSA-N 430.977 0.727 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836834339 LBOIMHNFNATRHC-HRAATJIYSA-N 448.907 0.954 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836919186 DWPHSXZOPUMHTK-INIZCTEOSA-N 442.944 0.944 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(C)C 1837215799 HSEFJOSPJFSYJY-WMZOPIPTSA-N 449.342 0.816 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318851 CPRQFXFFYIGCKP-ABAIWWIYSA-N 430.807 0.566 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202076 UIMGPGXZDGPRFT-SWLSCSKDSA-N 449.233 0.683 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)c1 1839203219 DHEHFTBUCOYZKO-CKEIUWERSA-N 447.305 0.899 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839963804 WSAHWGSMFCPBEU-YOEHRIQHSA-N 427.299 0.720 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840033622 LOQXDIAZJPBXDQ-UGSOOPFHSA-N 441.326 0.683 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840151924 RPAJIHPLGKUFEK-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378828 IHJNDIHUFCLPDT-CXAGYDPISA-N 431.946 0.761 50 20 ICGD O=C(CCc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840458210 RRYISVVYOCWGIW-DOTOQJQBSA-N 445.289 0.556 50 20 ICGD Cc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840666285 MTFNMIWLZJETJO-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010403 MENAFFXPVSMORM-NHCUHLMSSA-N 434.301 0.996 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844304255 HZEXYFCFRXDYTL-UHFFFAOYSA-N 432.245 0.547 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846348299 LHHZQFJIZOAJFL-WBVHZDCISA-N 428.294 0.163 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C 10258792 XMXUZMJXJSTRIK-UHFFFAOYSA-N 444.517 0.897 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2n[nH]c(C)c2C(=O)OC)cc1 732046493 XGJNSRSBFPIAHF-LLVKDONJSA-N 426.451 0.680 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCN(S(N)(=O)=O)CC2)N(C)c2ccccc21 732067293 AEAHBTOFYJWEHN-UHFFFAOYSA-N 432.506 0.005 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 732084253 UOGBWHLPZISVDO-FQEVSTJZSA-N 446.467 0.993 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)c(F)cc3F)cc2)CCN1 734552089 MWIBYCPKGHFYFB-UHFFFAOYSA-N 428.392 0.981 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1C 736796639 NRMKJCRTMVQBEI-ZDUSSCGKSA-N 435.506 0.839 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)COCc2ccccc2)C1 737923767 ZCOMGZLAXUKJQG-KRWDZBQOSA-N 449.533 0.791 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2)C[C@H](C)O1 740746813 OXURNBWOKSFVIU-RYUDHWBXSA-N 431.478 0.908 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 740852648 GZYYGEDETKPJKZ-HNNXBMFYSA-N 440.522 0.210 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c3cccs3)cc12 742062701 QMQVUEGBPXFGCO-SNVBAGLBSA-N 448.530 0.700 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 743830454 FNAHANWCLTXSOU-UHFFFAOYSA-N 440.503 0.807 50 20 ICGD CC(C)NC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 745145302 BPYRLDNJXJGYIV-HMVFGEFZSA-N 446.551 0.119 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)c2ccccc2C1=O 746285468 QTGHLKVRXPJVHU-QGZVFWFLSA-N 438.440 0.281 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)c2ccc(Br)cc2C1=O 748240275 DSGDZGKGRRATJH-SECBINFHSA-N 437.250 0.203 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 750279529 GHMDLDRZYUHNBS-TUKIKUTGSA-N 446.416 0.463 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751643164 ZERMWYICLPHENU-SNVBAGLBSA-N 435.824 0.429 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 756066658 OAIARTVDXAGEFC-UHFFFAOYSA-N 427.465 0.800 50 20 ICGD CCOC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 756936048 LQKFJPUBBZMORI-UHFFFAOYSA-N 436.284 0.861 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 759691724 XZBPXHISXVIWAD-UHFFFAOYSA-N 433.486 0.838 50 20 ICGD COCc1nc(C)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 760154872 ZMPWWQLHVNHPOJ-UHFFFAOYSA-N 440.551 0.686 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760277787 ROQDIBPGULGXTM-UHFFFAOYSA-N 449.406 0.446 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 763661322 MUNNRDGGOUMJMX-UHFFFAOYSA-N 440.456 0.983 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 764048650 RSBKBUCNAUZPLT-UHFFFAOYSA-N 441.444 0.564 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 764184660 BTFJQDUGYLZTMQ-UHFFFAOYSA-N 441.492 0.399 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cc2C1=O 764379661 GYSYCUFEMFUGJM-UHFFFAOYSA-N 432.339 0.670 50 20 ICGD CN(C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1)c1ccccc1 764433412 NFAOFIOUHCVBBR-GOSISDBHSA-N 440.456 0.393 50 20 ICGD CC(C)(C)OC(=O)NCCN(CC(=O)NNC(=O)N1CCOCC1)C(=O)OC(C)(C)C 765422079 SDSGHBIBDSLREO-UHFFFAOYSA-N 445.517 0.821 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)n[nH]1 765586398 SMMXTVMLHJVKSP-GFCCVEGCSA-N 441.897 0.904 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 770481699 XKTSOCLPQKLVKF-NSHDSACASA-N 444.839 0.758 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CNc2ccccc2)C1=O 771540631 VJFPBWXHKXFSNP-OAQYLSRUSA-N 425.445 0.722 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCO1 773132661 SBPOBYOLODVCEH-OAHLLOKOSA-N 446.468 0.242 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 773511367 KGSFMYVDGGGXNA-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 775461878 UMYLSLZWRQUIGB-ZFWWWQNUSA-N 442.542 0.374 50 20 ICGD Cc1cccnc1C=NNC(=O)C[C@H](C(=O)NN=Cc1ncccc1C)N1CCOCC1 781592458 FLSRWEIDEWHCMH-HXUWFJFHSA-N 437.504 0.785 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCN(c2ncccn2)CC1 781645294 FMSGATMHNAMSHB-KRWDZBQOSA-N 439.432 0.942 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782886520 OWPVJOWWBYRLLI-UHFFFAOYSA-N 439.428 0.454 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 783407652 FDFIIWYKVGTYQP-UHFFFAOYSA-N 432.384 0.918 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccc(Br)nc2)c2ccccc2O1 784806464 HLUAONIPNMRUBS-ZDUSSCGKSA-N 434.250 0.827 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 785022913 BASNUQXWANVMBA-AWEZNQCLSA-N 430.373 0.868 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1CN1CCOCC1 785023918 QBSSIDKLAAWIGJ-UHFFFAOYSA-N 443.416 0.532 50 20 ICGD CC1=C(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@@H](C)n2ncnc2N1C 788266812 IFKREXCDMRRTND-GFCCVEGCSA-N 432.510 0.626 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 791129565 NFDNSVTUKIFKNG-HXUWFJFHSA-N 437.497 0.329 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 795169280 LFZGILACRUZDSA-UHFFFAOYSA-N 431.474 0.746 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2C2CCC2)cc1 807462358 WSTBDISEEXLIBA-UHFFFAOYSA-N 448.505 0.751 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 811304849 AXMMQAKJYJZOSC-UHFFFAOYSA-N 428.470 0.615 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)nc1 812965007 XZGYEWHCRIPKIC-UHFFFAOYSA-N 428.496 0.389 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(OC[C@H]2CCCO2)c1 815691335 MTAULOWOULQIMA-HUUCEWRRSA-N 442.476 0.493 50 20 ICGD Cc1c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nnn1-c1cccc([N+](=O)[O-])c1 818782612 PLNLNBXSGUUCDM-UHFFFAOYSA-N 448.399 0.806 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1OC 894128829 XUIXOSADPMMPRR-UHFFFAOYSA-N 427.417 0.906 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 906467672 YJSCLUYFCNGGJJ-UHFFFAOYSA-N 437.297 0.309 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)nc1 916258180 MRHRYQPGEQCQQU-KRWDZBQOSA-N 441.602 0.666 50 20 ICGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918084351 AKRVNUWIPBHUSB-AWEZNQCLSA-N 439.538 0.720 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC3CCCCC3)nc2)CC1 918136365 YZKRJKQOSAPAQL-UHFFFAOYSA-N 440.570 0.993 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 1339204056 FJJDFOKHLKSYMM-UHFFFAOYSA-N 429.481 0.999 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3cnn4C)C2)C1 1778031244 BMDUVRCZRQPASL-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1779029003 QGOFIKYJMYBXIL-QVKFZJNVSA-N 431.493 0.088 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779033775 DSAYZEGEOGHPCY-OAQYLSRUSA-N 427.461 0.273 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1779037367 XZCLROCPQUPBEJ-LJQANCHMSA-N 449.414 0.514 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Br)CC)CCO2 1782646456 UKKUVBZYBMVDHJ-LRDDRELGSA-N 435.388 0.474 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1783884314 RHLAMTBIPDRUIF-JXFKEZNVSA-N 445.944 0.939 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783964009 GVOHJVWDKOOVSB-UMTODZBQSA-N 442.354 0.856 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789954722 BSBXLRQXSKXCJH-USJZOSNVSA-N 446.508 0.079 50 20 ICGD Cc1ccc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1792250731 RGAHIYMDUVMCIZ-XSLAGTTESA-N 437.924 0.304 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792870916 MLKZLNCXQUNGSI-GUDRVLHUSA-N 430.259 0.552 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975061 IPPMJLFKNYPXNP-NIFZNCRKSA-N 433.933 0.337 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)[S@@](=O)c1ccccc1 1792984327 XDMRMTPUEAWBLS-DLMKRWDNSA-N 428.938 0.372 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792988795 BYZAWNCMNWCGHU-UXXRCYHCSA-N 433.933 0.337 50 20 ICGD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1793381749 DSAKUKZDVXKAHH-KRXQYRFLSA-N 444.536 0.488 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc(C(F)(F)F)cn1 1796189177 HCRCEIWNTMBBOJ-QDMKHBRRSA-N 448.210 0.741 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191487 QKEMSFDRZWGXPC-IYXXYTSJSA-N 429.282 0.147 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1800108148 OFTVRAHHAQPSNV-QDMKHBRRSA-N 429.477 0.446 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCBr)C4)(C1)C2 1800702698 OCELPEYXXOKPIA-RJWOZWHCSA-N 429.311 0.704 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1800976922 LYBPDYCFVDSPCX-XMUUXPIISA-N 433.892 0.866 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1800978630 XTKRRMGNBOKWGQ-NWJSVONSSA-N 442.856 0.455 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359988 NYFUFZYPWINFSW-HOJAQTOUSA-N 425.294 0.098 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361883 ILEUGSSFZOVQLU-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807371253 RRQNBOPGUWMILY-UWJYYQICSA-N 449.276 0.015 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800638 QRPVWWQFYFEYCG-BBBLOLIVSA-N 446.371 0.679 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348408 MKKXNDBHHSPKCZ-XHDPSFHLSA-N 429.307 0.664 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)NC=O)CC2 1817281838 QZARKCQDQKKSLU-NMOQZMMYSA-N 445.505 0.324 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826937307 CXXJIVQYTFADLX-NWANDNLSSA-N 431.375 0.982 50 20 ICGD O=C(CC[C@H]1CCOC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827317129 ACZLYXCITFSGRN-BBRMVZONSA-N 443.334 0.865 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830398007 SJIWRXRADAEPSH-PMACEKPBSA-N 441.337 0.221 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830722864 HUOLOEUQVBGEAY-FXAWDEMLSA-N 442.944 0.288 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)c1 1830733996 XVFJXQGCMKVXPG-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831654496 UCSOTTLILFXGKS-OXJNMPFZSA-N 440.928 0.979 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833276090 GBWYOZKGIFFHPK-ZWKOTPCHSA-N 432.304 0.626 50 20 ICGD Cn1cc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1834818381 WGYNTTLQYUPPFN-GOSISDBHSA-N 425.961 0.524 50 20 ICGD O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)=NN1 1835702343 VJUWJMYRZXOQSI-CQSZACIVSA-N 432.294 0.124 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)o1 1836025061 FSDQCAYNIONMTE-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838434287 QARSTEKZCMCYEF-ZWKOTPCHSA-N 447.960 0.390 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838674600 NLEXBZZNIBNKQF-KXBFYZLASA-N 427.885 0.419 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838765297 HTFPELWVWYEMOV-AWEZNQCLSA-N 433.347 0.827 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839202459 GEAYQZLRRCFXGH-WBOJAVRRSA-N 437.306 0.684 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839648041 PRTTXIMHUQUPJC-MWHIQHKOSA-N 436.278 0.173 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839963133 AUFAULGEXQBXAM-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031134 GJPKJIBCWYVXON-DIFFPNOSSA-N 447.305 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840150880 SJPUCLUESKNZKQ-YJYMSZOUSA-N 444.891 0.750 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1840151328 YNWZYBLELNOKGY-LPHOPBHVSA-N 429.901 0.544 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840153487 PRLMZNHDOLEGPD-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1840156338 QWDZWGKKSAMHDS-BXWFABGCSA-N 428.917 0.463 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193364 FCINDJRLRCYMPN-IAQYHMDHSA-N 439.328 0.044 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C2(C)COC2)C1)NC(=O)NCc1ccccc1 1841131614 YTEGUSJUUNXIDI-UHFFFAOYSA-N 429.521 0.573 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Br)C3)c1 1842189464 ITDHEIVAZAOELG-GFCCVEGCSA-N 434.287 0.993 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1N(C)C 1843014436 JBLUZUHGYWZWDX-UHFFFAOYSA-N 437.305 0.572 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014654 LBVYFHYCOXRWKO-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2N1 1843014863 JXOOHBWOGUSPQK-UHFFFAOYSA-N 433.273 0.382 50 20 ICGD Cn1nncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848095959 ZIYUPSVYVWEASE-AVGNSLFASA-N 426.905 0.763 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)c2ccccc2c1=O 14044413 PDEKOBKPOQKMPK-UHFFFAOYSA-N 429.383 0.886 50 20 ICGD COCCn1nc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)ccc1=O 24312740 CBDJFNDZFRXJER-LLVKDONJSA-N 439.266 0.881 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 26070534 HGONSDNNITXIJM-LBPRGKRZSA-N 431.474 0.555 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3nc(-c4cccnc4)no3)cc2S1(=O)=O 728079162 NJFMBXLCOGAPBX-UHFFFAOYSA-N 444.429 0.679 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nc1 729620579 ZADMPOZIXQQUSN-HUUCEWRRSA-N 426.543 0.601 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 734685785 HMPPUGCDJNWZNZ-QZTJIDSGSA-N 449.552 0.590 50 20 ICGD C/C=C\C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 737787175 IDBYIWYKVONKCB-YWEYNIOJSA-N 438.488 0.788 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc(OC)c1OC 743505488 CRNMKFUWLKVMKX-ZDUSSCGKSA-N 446.464 0.586 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc(OC)c1OC 743506106 KZIMMPFRSINWBP-FZMZJTMJSA-N 446.464 0.584 50 20 ICGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)no1 744551460 UZAMRVHXJWUDRJ-GFCCVEGCSA-N 445.457 0.919 50 20 ICGD O=C1CC[C@]2(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)SCCN12 744620649 JICIFDOASBZSDC-QGZVFWFLSA-N 426.520 0.216 50 20 ICGD O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745790005 SVSCSPLKPWPJDN-UHFFFAOYSA-N 443.464 0.852 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)o1 751209915 YCSWNAVBIYLSHV-UHFFFAOYSA-N 428.492 0.609 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756330750 ORZADVAOWAFSJL-GFCCVEGCSA-N 443.551 0.274 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2c[nH]c3ncccc23)CC1 757388669 OLEFLAZJEAVKDV-UHFFFAOYSA-N 429.506 0.580 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1nnnc1C(C)(C)C 757696665 RQSNSGDYGHKANU-ZDUSSCGKSA-N 449.537 0.777 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 757708243 FXSFPELIRKFALL-UHFFFAOYSA-N 442.524 0.916 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 760440332 VUMMWAXVCMRQNQ-UHFFFAOYSA-N 448.524 0.573 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 763465051 REYMDMXDVBSXOC-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763528602 BYDLRCRDGRHUJX-UHFFFAOYSA-N 432.458 0.575 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 763531864 SOMOINMYKFXSCO-UHFFFAOYSA-N 439.472 0.714 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 763639245 JXZOQPJCEQRSOU-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763673230 BHKPSPIHBXKCMG-UHFFFAOYSA-N 439.428 0.190 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763682331 MDFTVSPEXJXIML-UHFFFAOYSA-N 438.437 0.752 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 763771547 IMLXVHUKJQMYGL-KRWDZBQOSA-N 442.428 0.005 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n1 763890889 HWJAULGOSFORSO-UHFFFAOYSA-N 441.448 0.264 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2C1 764003015 WSRHWOFCYFLNLO-DZGCQCFKSA-N 436.534 0.567 50 20 ICGD O=C(NNC(=O)c1cccc2ccccc12)C(=O)Nc1cnn(CCN2CCOCC2)c1 764049113 SZTNSBNJASLBTN-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 764085005 XAAFKUACTLXOIM-CZUORRHYSA-N 432.477 0.986 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764336167 ZWBHONBLAZCDED-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 764398898 YHUVPNKSSRVPIG-CQSZACIVSA-N 433.490 0.949 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)CO)c2)c1C(F)(F)F 764428863 LVKLLHIDNPQRNA-UHFFFAOYSA-N 443.338 0.146 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC 764480822 WFPRGKFUEVBHAJ-AEFFLSMTSA-N 433.553 0.423 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)N1C(=O)CCC1=O 766664298 PAUBKBOFOAXMEZ-AWEZNQCLSA-N 435.912 0.143 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n[nH]2)c1 768265562 YRZFPFMIIPWQQF-UHFFFAOYSA-N 440.485 0.952 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4c(c3)NC(=O)CO4)n[nH]2)cc1OC 770892701 PJBWVAOOLSXADA-UHFFFAOYSA-N 438.400 0.895 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)C2)cc1 770988936 CXZLSSUKWBZPEC-ZDUSSCGKSA-N 445.505 0.921 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 778433483 MMTSUWXQYSFKEX-UONOGXRCSA-N 440.497 0.641 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)n2)cc1 778710011 LPECRRHWPCCQGB-UHFFFAOYSA-N 439.428 0.811 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Br 782470830 SQGKBQQSFWCBTJ-UHFFFAOYSA-N 444.647 0.466 50 20 ICGD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782897985 UVAXQONCZITMQB-UHFFFAOYSA-N 446.533 0.749 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl 784000540 ZRQYSCLQAHDHPT-UHFFFAOYSA-N 437.884 0.530 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 784832999 BGCWFRDFTCLNSY-UHFFFAOYSA-N 435.506 0.852 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1 790592404 WXLCERWXVRDTBV-UHFFFAOYSA-N 439.425 0.857 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)c1 793036158 LPLVIJBAOAGMKX-UHFFFAOYSA-N 440.485 0.368 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 794083307 HCOWXXAXSGYLIJ-UHFFFAOYSA-N 434.474 0.681 50 20 ICGD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857313 SVZDBOUZBFUXPR-LBPRGKRZSA-N 444.477 0.357 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](O)c1cccc(Br)c1 801748782 KVMBQHDESRVXJP-GFCCVEGCSA-N 425.239 0.836 50 20 ICGD C[C@H](Oc1ccc(C=O)cc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 803963012 XNFNBPKECXUYNL-SCLBCKFNSA-N 428.397 0.797 50 20 ICGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)N1CCN(C)CC1 807380909 VKQULFAJINLGQM-LLVKDONJSA-N 428.471 0.028 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)c2)CCN1 812978660 AKDZDIZZUNZRLU-UHFFFAOYSA-N 427.436 0.086 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)c2)nn1 812979141 AXQAORVEWZLZFU-UHFFFAOYSA-N 447.411 0.935 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(F)(F)F 813367663 HRDRATPAKOHHAN-LLVKDONJSA-N 429.359 0.879 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 815569415 SISLSXWUTZQKOS-UHFFFAOYSA-N 446.467 0.870 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 815692684 YJFYGDURITWLAX-SNVBAGLBSA-N 445.386 0.776 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 815752294 MKTRZCVDGIHAEX-UHFFFAOYSA-N 431.474 0.903 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O 914837358 DVTMHIZTFLOUJD-UHFFFAOYSA-N 432.444 0.786 50 20 ICGD CS(=O)(=O)CCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 915131848 WZKKIVDMCFCQME-UHFFFAOYSA-N 428.470 0.641 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)nc1 1318672952 PSWTUJCATVZJKB-AWEZNQCLSA-N 436.542 0.751 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1C 1780783674 WQTUSMHDFXNBKE-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782208403 GJVKWKROTSJPPJ-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783345105 XPXDZNYXRXKTGW-SJKOYZFVSA-N 428.283 0.703 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783536621 LWOAWSJOWTVHSM-ZBEGNZNMSA-N 429.271 0.174 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccccc3)[C@H]2C1 1786668825 AYZHNYUJLDFYRF-NTLWEQJWSA-N 432.521 0.073 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)[C@H](F)Br 1789920852 ASQGGPGMPWMOQL-ABHRYQDASA-N 438.363 0.705 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791058160 RUMZLFVMMZBGGP-UGUYLWEFSA-N 432.359 0.472 50 20 ICGD Cc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccn1 1791288022 OOMFPUOIAYGDIE-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1793880157 RYZUFUXOGVDIJU-XGUBFFRZSA-N 441.916 0.745 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2 1796440094 DFUHFCIHYNLEFR-NAMOIKSGSA-N 445.520 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccn1)C2 1796445446 AIINFMNDIYNPRY-OBJZOTCMSA-N 441.492 0.168 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)C(C)(C)C 1797953918 SJXHDLDZIYCMHU-CYGHRXIMSA-N 427.618 0.978 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440310 LCTXMTWUBHMFKP-YIYPIFLZSA-N 443.533 0.894 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)c1F 1798987123 WVQYPLGNKPNSHU-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD COc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799635989 BTMKQPSIEOBZID-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)c(=O)[nH]c1C 1800757563 GKUUKGMOOCUMPE-WRSRJMLGSA-N 427.299 0.373 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2 1801014161 IWSJTWNHHZBNOH-ZZXMYQEDSA-N 428.480 0.695 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)c1ccccn1 1801218500 ZBXNKUBRASYCPT-CWPLJXCYSA-N 431.537 0.322 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccc1 1801253592 VEIWSAFJQSKSJE-HRHRNMPXSA-N 440.504 0.773 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1F 1801709633 QZKHRQHSMABVRU-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369898 YNVFHUTUBAFQRS-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807712806 RTTOQBNUKQDLJG-WOYTXXSLSA-N 439.354 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@H]1c1cccnc1 1811230198 AMTRYDCGPUIXFG-DNVCBOLYSA-N 441.492 0.270 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1813070277 GDLFMDNXMATMMT-HRAATJIYSA-N 441.488 0.727 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814586303 LNAUAJHGACTNAE-KBPBESRZSA-N 444.001 0.946 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817996017 DDDAXLHCIZHFFA-TZMCWYRMSA-N 436.517 0.222 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1822367679 BHJPTMPTNDEZGZ-FZMZJTMJSA-N 449.899 0.909 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)Br)CC1 1826821232 VMQDNXIVGVBEFH-KCQAQPDRSA-N 435.338 0.889 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827575810 OUDWYGDRCZUCBS-LJQANCHMSA-N 439.520 0.884 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1830537880 RMMBMNXDTJUPAJ-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830539529 IBHZJMOXMZMTCG-MEDUHNTESA-N 432.271 0.481 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830726483 YTJLIPWDLOOUMU-GHTZIAJQSA-N 440.924 0.684 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)(F)F)CCO2 1831687930 XRBGFASEKJRMGQ-HXUWFJFHSA-N 448.511 0.497 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833511403 PUUSJMUIIILFGD-WFASDCNBSA-N 445.358 0.697 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819668 YASKBUVMWFGMOB-GOSISDBHSA-N 442.310 0.945 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835139622 RMXQXMVCLRPTRP-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835781009 IXCMEIGIMGPRBV-WSRXNHEDSA-N 437.924 0.992 50 20 ICGD Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)sc2nccnc12 1835877819 LBIZCNVPEIUOSU-GUYCJALGSA-N 443.888 0.878 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837602494 QAHGNWUQAHXGOI-DVOMOZLQSA-N 425.295 0.947 50 20 ICGD C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395363 HMCRDKDXOTXCAG-UHFFFAOYSA-N 427.505 0.711 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839148005 JORBEODYLXMBED-FZKQIMNGSA-N 428.873 0.035 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n[nH]1 1839151562 WEFXPXDZYLFTID-ROUUACIJSA-N 447.319 0.919 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839151904 IBTYSAVLNYMWRC-MSOLQXFVSA-N 448.303 0.799 50 20 ICGD CCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198308 XUDWMACAIOFLKW-CZUORRHYSA-N 434.262 0.998 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201114 RSDBYCSCCCXHMR-PVXIVEMSSA-N 438.294 0.000 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203543 OGDWUWMFMPYPAA-CYJXPKQYSA-N 443.273 0.637 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839961736 GSCIAJIOLQMSDO-DYVFJYSZSA-N 448.314 0.069 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840149106 DSXUTXISLCOAKD-SJCJKPOMSA-N 431.829 0.512 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1840152998 APQSMGZSPXDJDF-IERDGZPVSA-N 448.907 0.954 50 20 ICGD O=C(c1cnc2ncccn12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188566 PQVQFIPLKIFGQT-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD Cc1cc2nc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)[nH]c2cc1C 1844216444 RMPCERXQRLPSBH-UHFFFAOYSA-N 432.289 0.990 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264143 KRAGBGJNGBGECV-UHFFFAOYSA-N 437.456 0.800 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSc1ccncc1 1848132420 LEIVLSCCNCRXDB-IRXDYDNUSA-N 426.502 0.688 50 20 ICGD Cc1ccc(-n2nc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c3c2CCC3)c(F)c1 730534076 KGVRZWVVGWJQMH-LBPRGKRZSA-N 435.481 0.940 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 732195735 RWHXKROKIMDQQA-GFCCVEGCSA-N 436.456 0.958 50 20 ICGD CCN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)OC(C)(C)C 734587601 DDAYLVYYCVOVBE-HNNXBMFYSA-N 437.449 0.774 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 746098566 KHVYHNVHYXLWKC-JDJRSUBASA-N 445.472 0.794 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 746516308 HZYNEMGONFKAQJ-UHFFFAOYSA-N 430.442 0.969 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)c1 747954886 NEXDMKZRKOBDPR-OAHLLOKOSA-N 445.432 0.163 50 20 ICGD CCC(CC)[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCOCC1 750510252 LZXVIYPLUXIDJY-AZUAARDMSA-N 449.504 0.654 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 756359655 PVCCFLXDXMFTBI-UHFFFAOYSA-N 435.510 0.511 50 20 ICGD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758029019 HWSPTJVOLXAMRZ-LIRRHRJNSA-N 448.545 0.608 50 20 ICGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nn1 762974903 XYYQDNBWETXJLN-AWEZNQCLSA-N 447.459 0.494 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C(=O)N(C)C 763574522 CHLWLNVXSPPCCC-KRWDZBQOSA-N 426.429 0.623 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763713886 QQMRROFDRWHIDJ-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 763823573 CSZKQTDMCBPDND-IBGZPJMESA-N 446.467 0.395 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 763884168 BSDDVLKYWQZABI-UHFFFAOYSA-N 444.561 0.877 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764239716 QMJGMAYODJFSBK-UHFFFAOYSA-N 429.458 0.336 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cccc1C(N)=O 764382983 UASHKSUYNHFXQP-UHFFFAOYSA-N 428.430 0.645 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(I)c1 764399841 MAPUWDWVKOZVKN-VIFPVBQESA-N 435.218 0.429 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 764426402 ULFZSGREMFSFBM-IUODEOHRSA-N 427.841 0.399 50 20 ICGD COc1nccnc1NNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 764650547 JZVFYXHRBKLUAY-UHFFFAOYSA-N 428.497 0.844 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncc(C)c3)CC2)cc1 766635635 BHZGUUPGLNHHRC-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 767450850 XKOUWIQCLLHGFT-OAHLLOKOSA-N 432.433 0.498 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c([N+](=O)[O-])n1 772569638 UYKUBBULABROMV-UHFFFAOYSA-N 445.483 0.036 50 20 ICGD C[C@@H](CSCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 773070807 SNWHPBUZVGUKFC-ZDUSSCGKSA-N 444.517 0.151 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(Br)cn1 773523065 DGJZOAOANVYULC-UHFFFAOYSA-N 438.194 0.917 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 773556095 VVMSHUNBRGHTGS-NSHDSACASA-N 441.309 0.851 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cccc(C#N)c3)c2)CC1 773683723 ZKAZAVGMKJKEKJ-UHFFFAOYSA-N 442.501 0.576 50 20 ICGD COc1ccnc(NNC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)n1 775600599 JBZPERPVNVSHSC-UHFFFAOYSA-N 428.497 0.844 50 20 ICGD COC(=O)c1ccc([C@@H](NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F)cc1 776024013 YOYHMWKJYBDCBR-GZMMTYOYSA-N 440.400 0.345 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(C)C)cc1 778441095 JCAPKBHQQXNEOM-INIZCTEOSA-N 442.538 0.970 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Br 779137452 XSNLWMBAEVPLNI-ZDUSSCGKSA-N 428.243 0.928 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1 780171378 MNSPCBYUVMPPHE-OAHLLOKOSA-N 440.522 0.772 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)cc2)CC1 782833315 GDFHNRJGXSENLP-UHFFFAOYSA-N 439.472 0.570 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 784855274 VHPNJMSITZMLSF-UHFFFAOYSA-N 439.472 0.943 50 20 ICGD CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 789731200 DVSOCQSYRCJXPG-WDEREUQCSA-N 442.563 0.815 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 790730388 OJIFMGNQTPOWPF-HNNXBMFYSA-N 432.506 0.480 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792395911 WGVAERSDBQXPFW-GFCCVEGCSA-N 431.478 0.888 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc2cccnc12 793291175 NMZMYADWIYNYLZ-HXUWFJFHSA-N 425.445 0.611 50 20 ICGD NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 807606063 ZVEZVARAWMKTED-UHFFFAOYSA-N 430.446 0.370 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(C2CC2)n1 812980659 YXFOYUSNBMVJCK-UHFFFAOYSA-N 439.520 0.596 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1OC 816827698 BMEZLDBRJZYSNC-UHFFFAOYSA-N 431.453 0.163 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 817054046 QYLWDNCDGKSSTH-UHFFFAOYSA-N 431.474 0.852 50 20 ICGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 818786765 WYZVLTZRMCRGBZ-UHFFFAOYSA-N 448.461 0.501 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)Cn3nc(C)cc3C)cc(C3CC3)nc21 914343783 LTHNIPJHRIUKTM-UHFFFAOYSA-N 425.449 0.669 50 20 ICGD Cn1cc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 916595233 VDYXQSAWSLBWNS-UHFFFAOYSA-N 434.522 0.781 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(Cl)nc3)C2=O)cc1 917248804 FNUMUXJWDNPVGH-LJQANCHMSA-N 431.836 0.972 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)Cc2ccccc2OC)c1 919822699 AYTOWMZQQGCVLK-UHFFFAOYSA-N 435.502 0.932 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 920858822 GCWXUKIRPKTGTR-SNVBAGLBSA-N 449.327 0.870 50 20 ICGD CN(C)C1CCN(CCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1116389769 AVIOIZFMVOTLBJ-UHFFFAOYSA-N 426.543 0.452 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1321470567 MOPFRNPUQVIJCS-KRWDZBQOSA-N 427.383 0.681 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778493245 DRGYBDQEHOLPCJ-NRFANRHFSA-N 428.493 0.379 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778941074 LXLOJKFXLIPOBY-NPZXAABXSA-N 443.410 0.578 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc[nH]1)C2 1782212002 NKVCKMRXRVBKBP-XMSQKQJNSA-N 433.553 0.834 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783530105 RZICUPOKWIMKCA-PELKAZGASA-N 449.195 0.955 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1783877638 MMBOARYJRFRXTI-YWZLYKJASA-N 440.928 0.371 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092913 NXYAFWCUBBEGLE-NXOAAHMSSA-N 437.924 0.821 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784106050 MAJZHOBDZSRJRG-YADARESESA-N 449.511 0.859 50 20 ICGD COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n1 1785226917 TUEDXPHBRXOJLN-HJWJTTGWSA-N 425.913 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978598 BTGRATAKHOCXRO-NYVOZVTQSA-N 448.328 0.692 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788717695 DUTRTKKKFKRLOV-DHMWGJHJSA-N 439.310 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNc2ccccc21 1795624684 HCPZNPJIBFUQIO-ICDONNSOSA-N 429.521 0.158 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1F)C2)c1cccc(B(O)O)c1 1795740936 QTQVYPCHPRLDCS-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795775209 ACIKWLAUYPLHCO-UMPJEAMMSA-N 426.311 0.611 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)c1 1799860859 KYOULIQIPXRQKR-ANGCBRKESA-N 436.864 0.967 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1800756520 NQRTUMMIJGFAFU-FMSGJZPZSA-N 429.340 0.942 50 20 ICGD Cc1ccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)c2c1 1801011674 XZUPEYSUMGXHLX-VPTLXERWSA-N 442.520 0.219 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)[nH]1 1803819847 NFRKSOQHDMMCRG-UZLBHIALSA-N 427.509 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccns1 1805217398 FYAUWKUMXOQIEQ-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)C1 1805381925 DCLKBNVAHCPBEF-KBPBESRZSA-N 431.375 0.841 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806688191 PLQSYYRXXHDOIZ-ZDUSSCGKSA-N 443.342 0.800 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369669 RKKNIRGJVAMFCE-TZIWHRDSSA-N 430.273 0.790 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972166 COUMDGPTVCXPFL-SFHVURJKSA-N 438.337 0.744 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074105 PHOFPKWRMDKGIO-GJYPPUQNSA-N 439.944 0.714 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(Cl)Cl 1813077196 ZZAOTAQEBPSCRE-HOCLYGCPSA-N 436.104 0.885 50 20 ICGD CCn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1816555178 IKDFFOOTNIJBTD-GOSISDBHSA-N 436.281 0.926 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnsn2)[nH]n1 1819401883 DKQWZNCFJYUFRZ-AWEZNQCLSA-N 441.477 0.879 50 20 ICGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821971585 QCONJFVUYGNMSB-MEDUHNTESA-N 442.480 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822369822 RNCRGOBMIPBHLQ-ZWNOBZJWSA-N 448.871 0.700 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1822371962 VSJKDJCOBUNXQZ-TZMCWYRMSA-N 437.884 0.971 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542863 YLBSCVRLIJRMMI-WDEREUQCSA-N 425.898 0.566 50 20 ICGD O=C(c1cc(O)ncn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050317 MKAAFOVBKXVLRG-LJQANCHMSA-N 438.293 0.409 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925987 WCJZJDIGYAFBED-SFHVURJKSA-N 445.520 0.872 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829657818 CEUSCTZDBKKEJP-BEFAXECRSA-N 446.495 0.251 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830250700 GFOJUHLGKRZKHB-PXNSSMCTSA-N 444.887 0.651 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353923 MOKPPEGRRNQDSS-RDTXWAMCSA-N 438.974 0.389 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831340142 BEBSCYVQCPUKEM-HOTGVXAUSA-N 445.365 0.114 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425072 BNLFZZMRVXWHFR-UZLBHIALSA-N 445.944 0.099 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833097414 QOMJOURTVIMXOY-MSOLQXFVSA-N 430.977 0.727 50 20 ICGD CCOC(CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)OCC 1833313127 WWWGDQQPZQZRGU-QGZVFWFLSA-N 433.977 0.947 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833864448 GTOPSFUVMBDYEE-MLGOLLRUSA-N 449.277 0.189 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834824218 XRTJQBRCFQVNPL-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834825194 STVILBKPWJHYMA-KRWDZBQOSA-N 447.326 0.571 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299672 QTRPEESKBLKRSO-RVKKMQEKSA-N 445.285 0.867 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858983 LIGQLCUFIPPJBC-BZNIZROVSA-N 431.287 0.359 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838434824 YAJQUNDJDLTTPN-HNNXBMFYSA-N 438.352 0.940 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1838528892 FMRPZYBNLUGXIO-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1)n1cnnn1 1838648350 RLZRGPQSQWILJQ-RISCZKNCSA-N 447.309 0.923 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798567 BWSANAJQRCBFEO-MRXNPFEDSA-N 432.271 0.022 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839152141 OXYCRUOJFYMQGN-QZTJIDSGSA-N 433.336 0.655 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839964556 VMIWCRVNOZENGY-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840149640 WHKLPAAQBZLRNP-IFXJQAMLSA-N 427.885 0.876 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1840155633 FWMMQIFNQIWROP-PXNSSMCTSA-N 442.944 0.290 50 20 ICGD O=C(c1csc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011757 PTYOZQCTWIGGIJ-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012700 GQBZNCIVIHFNSS-UHFFFAOYSA-N 426.253 0.792 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1844691847 HLHQAXNSIYJETM-GFCCVEGCSA-N 432.433 0.849 50 20 ICGD C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1=O 16231283 SVZITKAHRLIBJI-CYBMUJFWSA-N 435.440 0.899 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 16232098 HAPMUWRBYLDLSW-UHFFFAOYSA-N 429.506 0.458 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2=O)cc1 726523666 YYRXVNBGIQQEGI-INIZCTEOSA-N 435.444 0.481 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 729297561 QFAULWVIHQTSSE-UHFFFAOYSA-N 449.485 0.556 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cccnn3)CC2)cc1 736701798 HGDZSQOWEGBTGH-UHFFFAOYSA-N 432.506 0.541 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2)CCN1 740132482 IFLXUYVHNCONNE-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 742032054 XVNQNQDEFDEXDD-UHFFFAOYSA-N 434.430 0.532 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1N1CCNC1=O 742075200 AXPPMXKWHPMQNC-UHFFFAOYSA-N 436.469 0.694 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 744457898 BXPQOKUNJZPCLP-UHFFFAOYSA-N 427.417 0.117 50 20 ICGD O=C(COC[C@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 746386231 PRERWXWARGYJRI-MRXNPFEDSA-N 425.507 0.818 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1nc(Br)cn2ccnc12 750249298 DDYQFAXTHZAUER-VDUILEQBSA-N 431.250 0.742 50 20 ICGD Cc1nnc2n1C[C@H](C(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)CC2 750787829 KJMIKCJUNLRXEF-OAHLLOKOSA-N 433.538 0.228 50 20 ICGD COCC(=O)N(C)CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 758069697 VYHKENWJNMQFHX-UHFFFAOYSA-N 437.456 0.311 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNc3nc(O)c4ccccc4n3)CC2)cn1C 758298191 BTODIZZDODPOOS-UHFFFAOYSA-N 445.505 0.921 50 20 ICGD COc1cc2c(cc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)OCO2 759352295 PQGINBBQUKPWOF-UHFFFAOYSA-N 427.822 0.800 50 20 ICGD O=C(COc1cn(-c2ccccc2)nc1C(=O)NNc1ncccn1)NNc1ncccn1 762948095 QCFUCRWPZVTXON-UHFFFAOYSA-N 446.431 0.731 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763442936 GHYGDOQVOBTVBK-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763575086 PTSCUXNEDRVGHF-MRXNPFEDSA-N 447.469 0.795 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763842716 JQNKNRJYQPJHBA-UHFFFAOYSA-N 445.451 0.881 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764189059 UYGNQDCDLHFSET-UHFFFAOYSA-N 438.506 0.374 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccccc1 764309561 QIPMDPOVTOAWBG-HNNXBMFYSA-N 436.468 0.956 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)cc2)c1=O 764349489 LIZDXOKFYQNNMA-UHFFFAOYSA-N 430.808 0.330 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)Cc1cscn1 764434822 RVQPLSZJHWAPLU-INIZCTEOSA-N 433.490 0.276 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 765119134 QQMHUSFOKGLBNM-UHFFFAOYSA-N 447.473 0.362 50 20 ICGD CC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 765757373 DLVWJXNFFWVRKN-UHFFFAOYSA-N 435.956 0.864 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 767098484 KLWSFGHBXZXNFZ-GFCCVEGCSA-N 432.930 0.601 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 767823264 SWWBZJKZCBPOMM-RTBURBONSA-N 445.564 0.762 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)nc21 770989516 IPWFCWMLDWZFLX-UHFFFAOYSA-N 448.461 0.537 50 20 ICGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772188282 JZUHHSAXQOPSLH-UHFFFAOYSA-N 447.835 0.832 50 20 ICGD COc1cc(Br)c(S(=O)(=O)NNC(=O)N2CCOCC2)cc1C(=O)O 772856357 MQKGTPAYMNWUQU-UHFFFAOYSA-N 438.256 0.391 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 775704166 UMMBHYJRLRXZKD-MRXNPFEDSA-N 427.417 0.921 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 776866965 JTZNMXWEBNDNRK-UHFFFAOYSA-N 447.399 0.443 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)n2)cc1 778707113 MISLAOWPSIVCOU-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 779845652 GZSSOEUWGNAJGE-UHFFFAOYSA-N 437.434 0.008 50 20 ICGD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782965697 JDNBRKUTVQIDCQ-UHFFFAOYSA-N 436.428 0.805 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)COCCNC(=O)c1ccccc1 784588670 SXQLVJZEBGQTHY-UHFFFAOYSA-N 447.517 0.496 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNC(=O)c3ccc(F)cc3Br)c2)CCN1 786796676 LADMAOAYAAUEHG-UHFFFAOYSA-N 436.241 0.994 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 791129564 NFDNSVTUKIFKNG-FQEVSTJZSA-N 437.497 0.329 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNc1nccc(N2CCOCC2)n1 792651170 ZHDOJMWCYVMLRB-QGZVFWFLSA-N 442.398 0.388 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1cncnc1 794212400 RXIWYIKCROCERZ-UHFFFAOYSA-N 447.517 0.210 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 794489166 XMUITAJSHPKSAC-UONOGXRCSA-N 430.527 0.286 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 795169817 YXIJQFUFASCWML-UHFFFAOYSA-N 449.445 0.714 50 20 ICGD N#CCC1(CNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 797563794 CIMBDQHPBDKZBU-UHFFFAOYSA-N 449.533 0.664 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C4CC4)no3)CC2)cc1 799422014 AVLVVNPRFKSNPF-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 808046328 ZCKSZJJKVKLQIO-UHFFFAOYSA-N 433.421 0.999 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc21 813033102 FHDMJUCSGCYFKO-UHFFFAOYSA-N 433.490 0.847 50 20 ICGD CNC(=O)c1ccc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 916392270 TZBIRFUXHNXRGL-UHFFFAOYSA-N 447.517 0.506 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)s1 1116742359 OWNDSKBVSRSGQL-UHFFFAOYSA-N 445.548 0.589 50 20 ICGD CN(Cc1ncnn1CC(F)F)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1344020285 VDEJPIUWKAQZRN-UHFFFAOYSA-N 430.441 0.323 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029115 RBDOTXRWJSZVGE-JOCHJYFZSA-N 438.488 0.075 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1779296845 HSVLKVWYXOGZGL-LJQANCHMSA-N 438.557 0.394 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371350 RJSPKKJCEIBPHJ-YBOAYWMSSA-N 445.520 0.404 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781102232 BZIDSFYTSIKSIE-FRQCXROJSA-N 445.402 0.626 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783354068 MWECMTNXYJFEKI-SWLSCSKDSA-N 425.345 0.425 50 20 ICGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1783521148 QPFJDHDTISRFFP-DCAQKATOSA-N 432.344 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1783877803 QGQLFTOVJFTKDH-BEVDRBHNSA-N 437.880 0.805 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccc(O)cc1 1783935659 WKQPRZGHLCYPOD-OPAMFIHVSA-N 432.521 0.699 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784453590 CACABRVRRWSTKN-MRBYEJRBSA-N 429.308 0.091 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786866522 XWMKGDNVAOSZAL-NEPXVJNWSA-N 446.552 0.235 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787449031 ARYWQHYWOZHUDG-IICXDKKESA-N 426.876 0.714 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 1787508745 KLFNVBHFFKAELL-GLYSVQQSSA-N 433.509 0.261 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)cc1 1789581924 VYDLDNSGZAUMKY-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790551536 NRSBWBDQKCUWAF-AKGDVTCISA-N 446.552 0.440 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791055141 KSUDMKXZXOUFEH-CYDGBPFRSA-N 437.356 0.656 50 20 ICGD CCOC(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)OCC 1791424440 PFALMPMWQBWGLR-ULQDDVLXSA-N 442.557 0.128 50 20 ICGD O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791602489 KCYPVTYKWOBFDM-JUFZMCDQSA-N 431.262 0.526 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792868534 DIRLTCNQIOIVCN-OHTBPHCPSA-N 444.286 0.412 50 20 ICGD Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1794230336 KKHGLCDKSXSFLT-BJUDCHGJSA-N 442.426 0.904 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188966 GULOTGFDNWGMKH-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD COc1cccc(OC)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191781 WNTSSRQVDOLIEJ-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796367245 CCEHNQRADZWOAY-BUONHZGMSA-N 437.896 0.386 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1796446349 TXJWUZPIWVYDPJ-ZQKRRBMOSA-N 439.476 0.147 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1ccccc1=O 1798439862 LINFYMMLQMQUBX-LVQVYYBASA-N 438.488 0.360 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519783 NEFZSHKBTJVOBM-WMQCIHAUSA-N 449.272 0.408 50 20 ICGD Cc1nccn1CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802883483 FXZQSTWULHKNIM-BJWYYQGGSA-N 439.520 0.922 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367874 OFLCGLJMLVLVMS-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1810423256 YRJQTESKTGMFER-GCJKJVERSA-N 447.304 0.355 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812403478 APAARPOXFPFCSP-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1813070625 KFRUQLDFSJAQIW-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813598170 IMVOHMBBMWPJPO-KNQAVFIVSA-N 438.337 0.421 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 1814526185 YEOXXMWLIVUNRU-HIFRSBDPSA-N 433.513 0.301 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360053 KMAKFFQLMSAXAG-WFASDCNBSA-N 430.339 0.389 50 20 ICGD CC[C@H](NC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817460288 ACHIBFPFPNLYJC-HOCLYGCPSA-N 428.497 0.712 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)on1 1817470891 KZZKOINYVNDXMG-SFHVURJKSA-N 437.265 0.935 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1)c1cccc(B(O)O)c1 1817476403 FGCSAOIINQYCDL-KRWDZBQOSA-N 439.237 0.190 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)c1cccc(B(O)O)c1 1817477057 XUERLXFSUAWNSS-INIZCTEOSA-N 436.237 0.205 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnoc1)CC2 1819797030 LIUCZLYBMKODHA-SNVBAGLBSA-N 427.446 0.669 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822369816 RNCRGOBMIPBHLQ-GXFFZTMASA-N 448.871 0.700 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824789016 QCJGFQSQSFNXLA-RTWAWAEBSA-N 427.354 0.694 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cncn1 1826091719 ABDVKIQDFQVCRK-NWDGAFQWSA-N 434.526 0.281 50 20 ICGD Cn1cncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925684 PEKWGIICWMGKJZ-GOSISDBHSA-N 439.520 0.966 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829618112 RZGKORMOKMIURI-WBVHZDCISA-N 447.923 0.923 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1830537774 ODYAGUWENYPDGS-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830562377 UTKQQLSBKCCBSC-ZHRRBRCNSA-N 443.504 0.111 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833178118 ARMCLDDRIRELHH-BEFAXECRSA-N 446.331 0.988 50 20 ICGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)n1 1834089052 HMHJFPYUWBNWIV-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1834819334 NJPXIDZQQPMCEH-INIZCTEOSA-N 447.717 0.985 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823643 ARNLVFANPLLDHY-GOSISDBHSA-N 442.310 0.240 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835402387 DCFNLXUBOJVJAN-XLIONFOSSA-N 430.977 0.098 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1835833456 GPQBFJGPYRISBX-UHFFFAOYSA-N 433.647 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837224321 MNVYCCJUBXLRAO-FRQCXROJSA-N 434.917 0.284 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838993853 SWVYSCUXDOTWIA-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839961982 PHLRAVVVDNEJFM-ZOWXZIJZSA-N 427.723 0.216 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842825646 CSVHPNJSKZJYFJ-UHFFFAOYSA-N 446.460 0.669 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012002 SOYVMEJRJDYXFN-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cn1cnc3ccccc31)C2 1844265358 UTBMKBFWOPNXNI-UHFFFAOYSA-N 433.472 0.552 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cn(C)cn1)C2)NC(=O)NCc1ccccc1 1845038605 YAJOIWDTOQQJDG-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)CNC(C)(C)C)C2)NC(=O)NCc1ccccc1 1845038765 QXZHVCYAFJEFAV-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1nnc(-c3ccccc3)o1)C2 1846385181 ZPHXDSFOVLRLBD-UHFFFAOYSA-N 426.477 0.927 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 17833204 WVNIWJVRRDBNMJ-UHFFFAOYSA-N 435.414 0.757 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 725908813 VKDRSGWLLLGZMC-ZDUSSCGKSA-N 432.955 0.554 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845112 GVARUUWOMRBHTP-SPLOXXLWSA-N 443.508 0.341 50 20 ICGD Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274816 DXSARNPCCGUEAH-JTQLQIEISA-N 427.508 0.677 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)nc1 729620578 ZADMPOZIXQQUSN-GJZGRUSLSA-N 426.543 0.601 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 731362452 DLEDVOCDIDZRPZ-UHFFFAOYSA-N 436.516 0.962 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3c[nH]nc3C)CC2)c1 732086466 FUFMXPDYRGYDQV-UHFFFAOYSA-N 433.490 0.783 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 733359886 UGVIRMLNMUIEHA-UHFFFAOYSA-N 434.518 0.839 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNc2cc(C)ncn2)c1OC 734255438 GLPHRGBQVQHZQO-UHFFFAOYSA-N 437.478 0.580 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1Cc2ccccc2O1 735094664 GXMKNDQOELNDQT-HNNXBMFYSA-N 449.445 0.207 50 20 ICGD O=C1COc2cc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)ccc2N1 744619174 JNGLPBFBGNIWGD-UHFFFAOYSA-N 432.458 0.795 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 746092583 YGEOZTFPBVVEEP-UHFFFAOYSA-N 426.451 0.031 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)C(N)=O 746184381 HEYNWKSICWUJST-PMACEKPBSA-N 437.500 0.141 50 20 ICGD CN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 746949761 OUJUGMWGAKYGLN-INIZCTEOSA-N 429.564 0.580 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1OC 747719316 MYIWAVXMJCKSEA-UHFFFAOYSA-N 427.417 0.033 50 20 ICGD CS(=O)(=O)NCCC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747786049 ILTWDFZYFCDERL-LJQANCHMSA-N 430.530 0.700 50 20 ICGD C[C@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 751520898 KWXVBYZJBITWHM-LZWOXQAQSA-N 436.582 0.964 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)sc1S(N)(=O)=O 754170070 RMUCYVMFIYHYIT-UHFFFAOYSA-N 427.460 0.331 50 20 ICGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754415850 GLHTYQNMQAJTTK-GOSISDBHSA-N 436.472 0.796 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(OC)c1 757180649 VEDVNACDLLDICE-LLVKDONJSA-N 439.494 0.642 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757762063 DCLLJSBGBUDGTM-CYBMUJFWSA-N 435.462 0.555 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758018347 UEULLZFXKWHWRC-UHFFFAOYSA-N 430.343 0.672 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 758752767 NLKMEJLPVVHIPR-ZFWWWQNUSA-N 441.452 0.365 50 20 ICGD COC(=O)c1coc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 758815334 QTRIFDXHONNHMQ-UHFFFAOYSA-N 437.430 0.162 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1 759721345 HQLXIASENVIJPT-UHFFFAOYSA-N 447.517 0.626 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440156 RTXYSPSBDCPSGG-BUXKBTBVSA-N 425.486 0.549 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=C1CCN(C)C1=O)N(S(C)(=O)=O)CC2 761767935 XEXQMYHDXGIYHM-OAHLLOKOSA-N 438.506 0.287 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763465737 CZYIKXHTJZOQFC-UHFFFAOYSA-N 435.418 0.245 50 20 ICGD O=C(NNC(=O)c1ccccc1Br)C(=O)Nc1cc(-n2cnnn2)ccc1F 763483104 MZNSLCRPFZDEIH-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c2ccccc2O1 763849574 KIAUTVZQAALQAF-SJKOYZFVSA-N 444.419 0.281 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C(=O)OC(C)(C)C 764003052 XEOVLQPXHCKVDB-GFCCVEGCSA-N 439.490 0.471 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)c2)CC1 764276230 ZYJHQCBUBODZLW-UHFFFAOYSA-N 441.488 0.305 50 20 ICGD Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764429857 ORGUPKJWYZQERJ-INIZCTEOSA-N 425.401 0.555 50 20 ICGD COC(=O)c1cncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 767163687 POTUNMAWUWDXDY-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc3c(c1)OCCO3)NC(=O)CC2 768240636 ZKGCEUIDFNZAFR-UHFFFAOYSA-N 440.412 0.751 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(O)ccc2Br)c(=O)n(C)c1=O 769796361 GKEFJWZAICWAFH-UHFFFAOYSA-N 428.268 0.190 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 772631183 RTQSCLQOKYWFDQ-UHFFFAOYSA-N 426.484 0.043 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(I)cn1 773541347 IOPWGFXXGCGPEC-UHFFFAOYSA-N 428.186 0.998 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 778438397 VRWBIQOSAKZYKZ-UHFFFAOYSA-N 440.522 0.732 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1Br 778713666 PHLVTXLHWQQERD-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 779353053 RBDSDZPNAZKLKW-AWEZNQCLSA-N 428.449 0.749 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)cc1Br 780011337 GYNPMTMSSHHJOX-UHFFFAOYSA-N 425.243 0.555 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)nc1 782146119 YFRYNHJUUWWIFS-UHFFFAOYSA-N 428.449 0.443 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NN=c2cc[nH]cc2)c1 783378582 IIXGTCWOVZNJLM-QGZVFWFLSA-N 425.445 0.753 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Cl 783423952 BSCRHVUGKNPKGC-MRXNPFEDSA-N 433.870 0.028 50 20 ICGD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)ccc21 784000293 XXVLGJQWNQUFLK-UHFFFAOYSA-N 445.476 0.693 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 784003791 ARRUFIBILCBTET-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1ccc2ccccc2c1=O 790559420 RMIWVULAPGHJPG-UHFFFAOYSA-N 447.495 0.607 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 807004069 FYMHISKCLXVTML-UHFFFAOYSA-N 448.407 0.492 50 20 ICGD CCCN(CC)C[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812672921 OZGHEVQDJGQJCR-MRXNPFEDSA-N 441.602 0.764 50 20 ICGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)C(=O)NN=C1C[C@@H]3CC[C@H](C1)N3CCOC)C2 814692073 HFABEQRETDXVBG-LWYYNNOASA-N 448.568 0.477 50 20 ICGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](B(O)O)C3)c2)CC1 864231177 JRTUHDCOSLHJSK-CYBMUJFWSA-N 429.735 0.355 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 912975151 GUXLGUUYIUKFSM-INIZCTEOSA-N 433.446 0.994 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 912975152 GUXLGUUYIUKFSM-MRXNPFEDSA-N 433.446 0.994 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 915026062 RAAAOCIGKWAIBK-UHFFFAOYSA-N 448.501 0.818 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)c2ccccc2c1=O 916252752 NHPUXVIUOLAMOY-UHFFFAOYSA-N 444.492 0.390 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccncc1 918547540 PTCARJPKBDCRHV-AWEZNQCLSA-N 430.442 0.480 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1319048228 VNQYCQVSMXNRMV-AWEZNQCLSA-N 449.533 0.965 50 20 ICGD CC1=C(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCO1 1777719724 MTPBFALLBFPWBM-DENIHFKCSA-N 428.294 0.188 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778584584 BFPZTZLNDBNGQW-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1)C(=O)O 1780771226 HKMUYEUFHPWILE-NGOBNIPXSA-N 438.294 0.254 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1)C(=O)O 1781998395 SHMYOEHAHOZHTD-APNQJHFZSA-N 434.331 0.346 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782215213 YTHVIZISABKWST-CBGDNZLLSA-N 426.558 0.687 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934775 LZLPQNFBNAIUSX-LIRRHRJNSA-N 438.554 0.146 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694695 DTBHIBMXSNQZAB-RPIBGLMYSA-N 426.477 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138109 IPQLBDLQWQRFOP-RFGFWPKPSA-N 432.315 0.592 50 20 ICGD CO/C=C(\C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1788499431 VMORLGCEJHFMKM-GHCQRAGLSA-N 431.493 0.650 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)cc1F 1789645776 KBDXOAWJZLJWSD-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ccc1[N+](=O)[O-] 1792048345 RJURVFDNUVLTGN-LBEHMCEESA-N 441.868 0.796 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1ccc(F)cc1 1792979077 SYTUYXDSUXMRDX-QJESEZNXSA-N 441.887 0.192 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794365886 ZFGHDPMNABDDGV-DYNIEEOBSA-N 441.282 0.409 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794588856 SCGKKZJNGHIGSY-ZWUHOBOKSA-N 426.311 0.762 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)c(=O)[nH]c1C 1795111626 YYRHDGJCHRQKEX-DABQJJPHSA-N 427.299 0.375 50 20 ICGD N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc(Cl)c1 1796186998 FSHIGZJDIKFQIC-IYWMVGAKSA-N 441.724 0.972 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796361689 NEWALTTURGMOSK-BAESOJJISA-N 433.889 0.364 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1796441691 QSTCRQOGYPWFSA-RUUUSXTRSA-N 438.488 0.348 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C)n1C 1798391797 LJMNPWQSMGGYNG-CCWDJLKJSA-N 440.504 0.157 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801969864 PXJRWLSPHGVSLX-FQLMCAECSA-N 426.901 0.254 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805527200 UWOJICSFOZNZAH-KGLIPLIRSA-N 433.933 0.660 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807366060 XLRRXEKWHGNDJL-GCJKJVERSA-N 447.304 0.057 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810547755 HYMGXIJCQLERQG-HRAATJIYSA-N 444.564 0.864 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070253 FKRRJAPNAYWNOG-DNVCBOLYSA-N 443.508 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1813070899 LYDQLXNVWDFWTO-JTSKRJEESA-N 441.536 0.816 50 20 ICGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)C(Cl)Cl)[C@H]2c2cccnc2)C(=O)N1 1813075329 BLAAMYDSOFVOGZ-BXUZGUMPSA-N 428.276 0.443 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)cn1)CC2)c1ccc(B(O)O)cc1 1815339987 ZBQXQGUMUMOFEJ-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)c1ccc(B(O)O)cc1 1817470822 IEORVSIUEMZEIZ-INIZCTEOSA-N 436.237 0.205 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n1 1817571024 QLXWTLLLCFVRJH-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1823833515 BMJXPYFBZHHBNQ-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824562349 SZEXMBKEKTZFGW-VHSXEESVSA-N 441.897 0.884 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1ccc(B(O)O)cc1 1826099355 XNNLLWGYCZNJPZ-JTQLQIEISA-N 428.106 0.852 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053229 ZMZKEQSQSRELIE-SFHVURJKSA-N 425.298 0.340 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827056558 YEMVANXAFIABPI-GOSISDBHSA-N 425.298 0.042 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830199811 NCIKMTYRXZPAGH-LIRRHRJNSA-N 427.885 0.876 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353736 KAIDEALCMVXIOB-SFHVURJKSA-N 436.958 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1831873137 BETAKZUATXQVBS-QGZVFWFLSA-N 432.525 0.376 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833061930 HGEAUULFRQPTMP-VQIMIIECSA-N 429.901 0.280 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833134080 XFXGMKFDWCDGQE-YLJYHZDGSA-N 425.913 0.643 50 20 ICGD COCCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833241825 VZCPQRDJBMOEIS-UHFFFAOYSA-N 446.552 0.297 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826772 VJCMSPLVQHNDRA-WFASDCNBSA-N 427.723 0.482 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Br)CC2)CC1 1835058324 MXJJQFYNIKMQMT-DOMZBBRYSA-N 446.390 0.788 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1N 1835867901 OLJBBCKHSBOQRN-BEFAXECRSA-N 429.876 0.386 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cc1O 1839151543 VTLMYPSCHPJSBC-SJORKVTESA-N 435.308 0.432 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155443 UDEXXYAFNYMGRR-APHBMKBZSA-N 431.744 0.933 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961080 VBQRBRJTOYRNLA-DNVCBOLYSA-N 431.316 0.850 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1 1840033604 KZLDNGALWZJDNV-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107629 UKIWGRIANMHDFL-RDTXWAMCSA-N 446.342 0.239 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840150628 OQRVRVLXGNDDHP-KXBFYZLASA-N 427.885 0.876 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592540 QTBQLLAYYXEBJY-KDOFPFPSSA-N 433.343 0.779 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841386129 BBMPGQILHOLCFH-LEWJYISDSA-N 434.301 0.479 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011390 YCSUPKUGTSYLBD-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD Cn1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccc1C(F)(F)F 1843013874 YGZSOFRUJYCPGL-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014453 KUCXHDXBSXSQHZ-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843670607 BWWQYYQTUCGDRS-UHFFFAOYSA-N 449.471 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3cnccc3n2)C1 1843681118 MQGBHTFSDARRIT-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 12882781 VLIXJXBOVLPAAC-UHFFFAOYSA-N 444.922 0.599 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 731491070 JKAPZYUCRUBKIX-UHFFFAOYSA-N 446.529 0.917 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 733128696 LWPKWMRQCKQBGJ-PCJMVEANSA-N 428.470 0.435 50 20 ICGD C=CCN1C(=O)c2ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc2C1=O 734240643 QOSAPBRYLUSXPO-UHFFFAOYSA-N 431.449 0.937 50 20 ICGD C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117932 JNIJEEZMSPSLMR-AWEZNQCLSA-N 438.554 0.156 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(C)o1 736549587 IQGAPOMWSQSHSA-IHRRRGAJSA-N 442.494 0.768 50 20 ICGD Cc1cc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)nc(C)n1 736716911 VSZCOIYOWVYWEL-HNNXBMFYSA-N 441.535 0.318 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1 737756000 LPPONCLBJFBSHJ-UHFFFAOYSA-N 427.504 0.463 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744457050 MBYUKOAKFLWBCT-WDZFZDKYSA-N 442.453 0.947 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 745413825 QPRAFHUYWRUSFS-IBGZPJMESA-N 441.440 0.762 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCN(C)CC1 745431021 BFVGNALTGCXYSB-KRWDZBQOSA-N 440.570 0.698 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1Cl 747148175 OSUYGQDIQALJFO-UHFFFAOYSA-N 435.853 0.762 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 747612836 XERRXEPZEWZDOB-UHFFFAOYSA-N 446.235 0.480 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)nn1)OCC 748545255 PNAPELWRLQMOSA-UHFFFAOYSA-N 443.464 0.482 50 20 ICGD C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749618212 BVHXBPAMXBUZIR-OAHLLOKOSA-N 447.517 0.678 50 20 ICGD COc1ccc(CC(=O)NNC(=O)CC2CCCC2)cc1S(=O)(=O)N1CCOCC1 749951646 LTNBEJQETINQJO-UHFFFAOYSA-N 439.534 0.986 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 751291049 RCBXZEISJOAROR-HOCLYGCPSA-N 438.550 0.983 50 20 ICGD CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 753122286 XPFFIOWNYTXRIC-CAMPQQCRSA-N 438.535 0.241 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)ncn3C)CC1 753795816 ZQDUZIGAYZBEHL-UHFFFAOYSA-N 429.506 0.661 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 756016815 AUIHAZWJTWRZEW-ZDUSSCGKSA-N 449.489 0.795 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 757726053 GVOIMFOPFQNUFK-AWEZNQCLSA-N 427.527 0.642 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccs1)C2=O 757836461 GCYXYNCLJPYAON-VXGBXAGGSA-N 436.490 0.799 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763727978 HLXWVPZKCDBHQC-UHFFFAOYSA-N 444.513 0.937 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763867305 ZNZBLUQVBYVKRC-JSGCOSHPSA-N 428.420 0.983 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1 764003262 DHIDVTGZOVQLLU-UHFFFAOYSA-N 443.412 0.718 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc1 764202861 LMAVTKBZIMZRHJ-ZDUSSCGKSA-N 428.511 0.522 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 764227728 QYCNOABYRRUNOL-LLVKDONJSA-N 438.437 0.642 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1S(N)(=O)=O 764345238 DCZAYCDDQYQHAJ-UHFFFAOYSA-N 440.865 0.655 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(I)c1 764398958 IWRPFUPYUTYNNO-SNVBAGLBSA-N 449.245 0.737 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764525677 XCOCSSZYZKUNFX-CQSZACIVSA-N 446.485 0.850 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766642209 OKDFNBQNECTULY-LJQANCHMSA-N 447.605 0.962 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772893390 WLAYDYYHPDWIBF-KRWDZBQOSA-N 441.879 0.883 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CSCC(=O)N2CCOCC2)C1 773411513 NCTVLUZTEQIEOB-AWEZNQCLSA-N 444.554 0.373 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)n(C)c1 778688445 CAFISBPETFJKNC-UHFFFAOYSA-N 441.897 0.006 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778715653 ZPVCVSZYBVYGTQ-UHFFFAOYSA-N 446.410 0.766 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782838033 XMQXAHFHSAUSHN-UHFFFAOYSA-N 436.446 0.051 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)nc2ccccc21 782894656 RTCLQBJWIIRNLZ-UHFFFAOYSA-N 438.469 0.946 50 20 ICGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782896378 HEINYEZCJFHXPJ-UHFFFAOYSA-N 434.478 0.482 50 20 ICGD CSc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1)OCCO2 784005015 WNFZYRVHLZEKMI-UHFFFAOYSA-N 434.430 0.289 50 20 ICGD COc1c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cccc1C(N)=O 784835189 GWZZGQMFTQXERE-UHFFFAOYSA-N 442.400 0.872 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccc(C(F)(F)F)nn2)c2ccccc2O1 784888618 ZZHCTQXCLMFHGZ-NSHDSACASA-N 425.323 0.906 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc1 787541442 SAOZBYRZGOTKOW-UHFFFAOYSA-N 435.506 0.588 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 793416756 PKBGPENDTGTMTQ-GOSISDBHSA-N 440.403 0.665 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)cc1 801108378 MNVQQIWUXWQIIF-UHFFFAOYSA-N 444.469 0.948 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 801110803 HMWDXQCBTPLSLL-INIZCTEOSA-N 449.508 0.746 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F 806978106 MWLMNYASMWFKHC-SSDOTTSWSA-N 442.828 0.008 50 20 ICGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C1CC1 807003864 ASWKUTJZBKJRBO-UHFFFAOYSA-N 432.506 0.994 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCCC2)c1 807537381 JOVAEDZFQXTBQL-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD Cn1ncc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 807569827 SSRJRJQIBJWRFF-UHFFFAOYSA-N 432.448 0.661 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 811683535 XKGBCGJSHWPAEL-JTQLQIEISA-N 439.475 0.137 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691892 DTHQEMSMXSJMGY-JTQLQIEISA-N 448.505 0.772 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 817054342 FNFGCKSVVVBRRU-UHFFFAOYSA-N 442.519 0.650 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)CC1CC1 819126632 RTMCTBPTCCAXGG-UHFFFAOYSA-N 440.497 0.386 50 20 ICGD CC(C)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 899880171 YOSBZKKVOJGRQY-KRWDZBQOSA-N 433.461 0.412 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912920116 VARQBKFEYDUKCM-HUUCEWRRSA-N 426.539 0.634 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)OC(C)(C)C)c2)CC1 913176177 FCJXFPIGMIUSNC-UHFFFAOYSA-N 426.495 0.709 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCS(=O)(=O)C2CCCC2)cc1 915685807 HWSIMMQGZADLCO-UHFFFAOYSA-N 445.563 0.510 50 20 ICGD COc1ccc(OC)c([C@H](O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 916473402 ORMLQFWJICBEQE-MRXNPFEDSA-N 427.421 0.357 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 916830163 AYAFKSXMOYFYNT-UHFFFAOYSA-N 444.444 0.537 50 20 ICGD O=C(CCn1cc(Br)cn1)NNC(=O)c1csc(N2CCOCC2)n1 917918134 LAJIQCBQPHFFOQ-UHFFFAOYSA-N 429.300 0.790 50 20 ICGD O=C(NCCOC1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918084705 FHIHUGHEGSENET-UHFFFAOYSA-N 440.522 0.611 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 920338406 VHOKZKRVFHYIGB-UHFFFAOYSA-N 435.462 0.790 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778712801 AWDJGNDQYSXTNG-VBKZILBWSA-N 435.864 0.519 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781214524 ZFLIECVCVVBNJI-MAUKXSAKSA-N 429.926 0.946 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782519154 AHGYSPAHQRXXGZ-QMTMVMCOSA-N 426.901 0.623 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783531861 DMDXWFCAQYZSOI-HWPZZCPQSA-N 427.255 0.402 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1783884317 RHLAMTBIPDRUIF-OXJNMPFZSA-N 445.944 0.939 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934486 HCIHARGXSDBMMO-VGSWGCGISA-N 431.537 0.690 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937741 XGJVFWOPBOJSLF-DYESRHJHSA-N 425.574 0.167 50 20 ICGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c(=O)nc1O 1785354771 WSEQVXAKNOURNM-QZTJIDSGSA-N 447.319 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4occc34)[C@H]2C1 1787183469 FCOBHMYVBLMFOU-ZVZYQTTQSA-N 443.504 0.794 50 20 ICGD O=C(CCn1cncn1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149227 FGDNVSYAIYJHPP-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287960 IEIAJCXEUVHCPK-JYJNAYRXSA-N 428.599 0.728 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192415 IZVCTWQOQWRREP-HUJKARHJSA-N 449.316 0.437 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796892099 HCRDEENEZMUYGZ-WGYQYOJISA-N 430.509 0.625 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1sccc1Cl 1798283387 PNRUAMFBFBADLK-YWVIFJGQSA-N 434.710 0.598 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1800979603 QVPAQNZTFDRHEL-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br 1801967277 NISIJXQGAFAMJH-OTJKUPJXSA-N 440.342 0.879 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2CCOCC2)[C@@H]1c1cccnc1 1806701710 HXIOKLDYULTBQX-NQIIRXRSSA-N 431.537 0.887 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806784135 ZPYWFOHCLPAIOA-DNVCBOLYSA-N 440.504 0.561 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366654 VFMVKJRZGPJILC-IHPCNDPISA-N 425.294 0.098 50 20 ICGD CN1CCC(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809968416 WNWNEFBXTLIABY-UHFFFAOYSA-N 427.354 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1813072594 FXAGSVKNKCSFRQ-HRAATJIYSA-N 443.504 0.860 50 20 ICGD Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)cs1 1815123614 LMEUTXZGUBWDBT-LLVKDONJSA-N 443.319 0.401 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(=O)oc1)CC2)c1cccc(B(O)O)c1 1815355134 OCOIYVMMCPIKBT-AWEZNQCLSA-N 439.258 0.316 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)no1)CC2)c1cccc(B(O)O)c1 1815360853 PHLDAHSIZXAFJB-NSHDSACASA-N 428.235 0.056 50 20 ICGD CC1=C(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCO1 1815879006 CNUIRZWBEKYDJD-AWEZNQCLSA-N 427.291 0.743 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cncn1 1817474888 IEMAKUVPWUNWQE-CXAGYDPISA-N 437.269 0.248 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817478704 AFEBEOLFANOAPG-LKGOPFMKSA-N 434.265 0.832 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1824185566 YKHOSPZGYWWBHM-UHOSZYNNSA-N 429.005 0.842 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)c1ccco1)CC2 1826083693 PRMVXGPNZJWDJH-NSHDSACASA-N 433.490 0.904 50 20 ICGD COC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826089687 LQZIDPFMUXKJRI-NSHDSACASA-N 437.522 0.381 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3=COCC3)sc2C1 1827238012 DWOYZENLOVFUED-NSHDSACASA-N 428.474 0.672 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1830738268 NHBDVILUQKEOFZ-HGHGUNKESA-N 438.908 0.436 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831453004 YCCXKFTXIHJHTJ-KDOFPFPSSA-N 438.974 0.389 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1832291455 ZTZIXWCLZIVOJM-DOTOQJQBSA-N 434.545 0.227 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1832931232 MURBQOJNQMQEIF-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676168 UFFGGYPYPWUHCA-INIZCTEOSA-N 441.960 0.517 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1833817113 KUPRGSITMMMSQX-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798639 SXECACOHFBIUSN-VGOFRKELSA-N 441.381 0.988 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819467 OKUPATPCPRSELJ-GUYCJALGSA-N 434.331 0.143 50 20 ICGD O=C(CCC1CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933923 GYDFKGAMBLTUAU-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837854066 GQWDRXDBDXQBMY-IIBYNOLFSA-N 439.601 0.731 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431664 YSUUHHREFNLWDM-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662526 RTNLYJLREQGDOD-KXBFYZLASA-N 426.901 0.107 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839966305 AJLAUDOZGSUFEQ-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840151772 NGTZAMREAZHGFO-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccn1 1840504543 OFIXGACPKWTGBI-HTAPYJJXSA-N 447.536 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(C)n3ccnc3n1)C2 1843416594 DHDXSUXWRMCYTF-CVKSISIWSA-N 448.487 0.989 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843482701 JEOWKAMRCATQNW-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1843817545 PNZWREJTKBXMKC-LSDHHAIUSA-N 445.944 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@@H]2CNc3ccccc3O2)C1 1844221654 OMWUIAVGQKUGAR-MRXNPFEDSA-N 429.521 0.826 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1846070895 KMAOZBKMDUPVQK-STQMWFEESA-N 438.326 0.972 50 20 ICGD COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 726615415 NGMWCCUQSPXLLV-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)nnn1-c1ccc2c(c1)OCCO2 731457911 QZMMOSSZOMJOMF-UHFFFAOYSA-N 442.457 0.599 50 20 ICGD CN(C)N(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 733371057 SIHPZXQQKUBJSN-QGZVFWFLSA-N 443.591 0.896 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 743828064 XZEBYFRTKSXFQW-UHFFFAOYSA-N 436.472 0.977 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)c2ccccc2c1=O 750662350 CZAAIXMPHNECPJ-MRXNPFEDSA-N 428.537 0.984 50 20 ICGD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 750669877 GHLKPQFWENHEAU-TXUMCGTDSA-N 444.579 0.961 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCN(S(=O)(=O)C2CC2)CC1 753965748 HAWJZSJOGLMZCT-UHFFFAOYSA-N 448.505 0.479 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 754180015 KAKPHBXRQPCLMK-UHFFFAOYSA-N 437.503 0.777 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 754332928 ADNMIIGMQOCLLK-UHFFFAOYSA-N 442.567 0.770 50 20 ICGD CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1 754538193 CNXBQMXBWQPETM-SFQUDFHCSA-N 428.489 0.901 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 756816971 URXRPFZVWISCMF-ZDUSSCGKSA-N 448.439 0.605 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3 758027884 APMFWCFCYPRMFM-VIFPVBQESA-N 441.535 0.293 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1cccc(Br)c1 758040186 OKXLVZZHMPCRDL-VIFPVBQESA-N 444.311 0.642 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1cc(Br)ccc1O)N1CCCS1(=O)=O 758296679 FIXSJGIDHSIBRS-CYBMUJFWSA-N 434.312 0.976 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 762621742 DXDBHQHTQYCZJW-AWEZNQCLSA-N 431.409 0.071 50 20 ICGD CN(CC(=O)NNc1nccc(N2CCOCC2)n1)S(=O)(=O)c1ccc(Cl)cc1 762854514 BQRSPTSBUNDBRU-UHFFFAOYSA-N 440.913 0.730 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)s1 762862073 RVISVIYMYLFEAV-UHFFFAOYSA-N 426.524 0.223 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 763734707 NCPHAAYAIRROCL-UHFFFAOYSA-N 437.435 0.945 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c2ccccc2O1 763808626 DKJDBQFPSUQMEZ-KRWDZBQOSA-N 427.413 0.488 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763865400 PNAGZFZIVRPYPK-LLVKDONJSA-N 429.408 0.570 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 763945059 TVSYKCFPTKOPCM-UHFFFAOYSA-N 448.439 0.887 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)c1=O 764066843 KTUMLUUSPFHDRY-UHFFFAOYSA-N 436.424 0.964 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1 764144109 UIDMCTYWVAWWLU-MRXNPFEDSA-N 430.461 0.740 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)ccc21 764380097 ONVWROULFONTMQ-UHFFFAOYSA-N 433.371 0.635 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 764399751 LPKIBIBKXJBOEK-AWEZNQCLSA-N 434.493 0.887 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CC[C@@H](C)C2 764426399 ULFHCYVPPQAEGN-PWSUYJOCSA-N 439.490 0.551 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1C 764526382 YAOKTEXQAKOUPW-UHFFFAOYSA-N 440.504 0.749 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnn2cccnc12 766661186 SNRXTLCHRSQBNK-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)n[nH]1 768276821 MBMUFDNINQJCBS-UHFFFAOYSA-N 435.448 0.726 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2F)cc1OC 768363513 MHOLIDVZZVKMRZ-UHFFFAOYSA-N 441.437 0.348 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 771226380 HVRVBTIGEHQPIS-OAQYLSRUSA-N 444.419 0.828 50 20 ICGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 771610076 QKUPLVWGWYBELZ-UHFFFAOYSA-N 446.485 0.368 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 778710232 QCDBXBJFCNWMNQ-SECBINFHSA-N 448.295 0.368 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1Br 778713577 LNKIMUMKEJGDDQ-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1 784004756 SPYQPXCGDGLTHX-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNc2nccn(C)c2=O)c2ccccc2O1 785090378 QSLXHFISMQUHAJ-INIZCTEOSA-N 442.476 0.322 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 785339525 SHCJZKFSAIEUSP-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 790544621 HUCGEQPULYNRCN-OKILXGFUSA-N 432.440 0.924 50 20 ICGD N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 792238821 YIVOYBZPVJPQNM-OAQYLSRUSA-N 444.495 0.846 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793024837 FZRUNNTXAMVNEN-MRVPVSSYSA-N 433.215 0.495 50 20 ICGD O=C(CCn1cnc2ccccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 793075559 XQKSGXIAVFOGNO-UHFFFAOYSA-N 428.474 0.541 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CC1 794756564 DRWYKJAZQYNPGR-UHFFFAOYSA-N 426.539 0.821 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1C 796991864 KCFXGDLNLLJHQI-UHFFFAOYSA-N 445.476 0.961 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(OC(F)F)c1 799529027 ARZOMXNVAJQFPP-UHFFFAOYSA-N 435.430 0.819 50 20 ICGD COCCOc1cncc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 801176326 UZXOXTOWLQBBNO-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 806542197 MQRUVQNGCYNGAH-UHFFFAOYSA-N 438.441 0.896 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 807371946 VLPLIGJFMWLULE-HZSPNIEDSA-N 429.539 0.830 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1OC(F)(F)F 815691877 DKMQPHJDCVVXBX-VIFPVBQESA-N 437.338 0.397 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)cc1 817784160 NHJQMEXWVVYCAL-UHFFFAOYSA-N 442.501 0.717 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 915639776 SMVDCDBUFMHODV-UHFFFAOYSA-N 440.453 0.292 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)C(=O)NC2CC2)cc1 915901297 DCKKXAGPWKNXLA-LBPRGKRZSA-N 425.511 0.387 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884459 JCIASSBYSPBTFH-ZBUUCQELSA-N 441.554 0.162 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1O 919958134 BOZZLSYQPLUOIP-UHFFFAOYSA-N 429.476 0.274 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778741509 ALRBGYWIUHCERE-CZUORRHYSA-N 426.246 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1783879995 DAGFRWMLNRZRTM-QQKZVCBYSA-N 439.896 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1783934557 JCASOVVHYOMJOA-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784290732 WNUYPQRFBSMHCW-JTSKRJEESA-N 431.537 0.463 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786818931 AIAIWXMIGOFPTQ-JUORBAGFSA-N 446.552 0.474 50 20 ICGD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1789620998 MONQKWJHXDHEDC-BVSLBCMMSA-N 436.317 0.836 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3N)C[C@@H]21 1791289416 YNVWERKMKMUFGW-PTDRCKJRSA-N 443.548 0.635 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C1CC1 1792975576 VWRBUBVWVAVCGV-IARIHHJXSA-N 445.944 0.575 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(C)c1 1794810744 LSEXNCGDXYVZLK-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccs1 1795737141 WZLXSWGOMWUGEZ-AMVTXUCVSA-N 428.319 0.435 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795775203 ACIKWLAUYPLHCO-LOUJCGABSA-N 426.311 0.611 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189544 AJBSFTJZLJAWMX-RUGDWHBFSA-N 445.325 0.531 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1797957371 KHLJPZJLTQYGFD-HBCWATKFSA-N 445.552 0.144 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1804195085 SQVGIYZEJHTMTK-XIRDDKMYSA-N 446.932 0.352 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(F)(F)Cl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366756 GVLXXRSMYJCSOA-ZBFHGGJFSA-N 437.639 0.913 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807367325 YWHJTBWSBZSNAK-ZAAXVRCTSA-N 425.294 0.364 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)nn1C 1807369281 DTOBPKBXJYCUSK-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cscn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369742 UKDRSMKMDBVMLG-APWZRJJASA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374117 IQLXARCLHFMLQJ-SXLOBPIMSA-N 439.346 0.977 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@@H]1c1cccnc1 1810299499 RDGRFCFKFUBKGB-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1 1813070192 DVZKXDBRTXGJIN-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813075024 WWZBOFGURLNHQX-UTKZUKDTSA-N 442.524 0.142 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335627 IGYXZYZFEFIIGO-BBRMVZONSA-N 431.323 0.456 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncccc1F)CC2)c1ccc(B(O)O)cc1 1815344072 GIYNFAUKOFEFLK-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@]1(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348314 KLPBTJQCGRTSCN-SEDUGSJDSA-N 437.689 0.973 50 20 ICGD COCCn1nccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1817588042 LMMUIXLRERGWCC-GWCFXTLKSA-N 427.914 0.812 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822185204 YURNRAVAQWPBCT-SCVCMEIPSA-N 429.319 0.778 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826076825 FQIJNAFLTQMYJC-FJHFEUQMSA-N 433.914 0.925 50 20 ICGD Cc1noc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826085120 FMHLRXDTJPTSKS-NSHDSACASA-N 435.510 0.362 50 20 ICGD Cc1nccn1CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089632 IKYAOAHYLLFEOB-CYBMUJFWSA-N 433.538 0.633 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830533427 NJGGKUWPEQMRHM-HBUWYVDXSA-N 448.358 0.389 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736868 XCQMVIZPXBYVDH-KXBFYZLASA-N 440.859 0.143 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830737754 ISNTUKKUNWKRAC-FQELHTAISA-N 435.908 0.983 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)CC1 1831874596 KUQWQWPAEGCOAY-QGZVFWFLSA-N 436.553 0.932 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833201984 XMMZNSFAVXSGKJ-JKIFEVAISA-N 447.305 0.666 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)[C@H](O)CCl 1833313611 MMGIYWBEUAGGSE-OLZOCXBDSA-N 428.730 0.848 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)[C@@H](O)CCl 1833313618 MMGIYWBEUAGGSE-STQMWFEESA-N 428.730 0.848 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883589 QAPWQWWIBHEEGM-LRDDRELGSA-N 430.303 0.059 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1835738159 KGZWZGLMKAYGRL-IBGZPJMESA-N 444.536 0.049 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835807721 NMCYYHGEAWLSNN-MGPLVRAMSA-N 447.355 0.887 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835972530 YSSZXHZRRUSLKF-INIZCTEOSA-N 449.733 0.778 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1836227273 DUXPZOJTIXVFRP-YVEFUNNKSA-N 435.308 0.295 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200652 OCKZLRRIHOXAOQ-CZUORRHYSA-N 432.246 0.081 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202622 LPLDMDPCCPRTDY-RHSMWYFYSA-N 445.289 0.590 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839646436 XJAMGTQTGBZAOI-VEMDQMBVSA-N 432.315 0.268 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1839964355 PAHRPWCCCBTHDV-MLGOLLRUSA-N 430.303 0.357 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033274 ZPFPYUAYSRCPRX-YVEFUNNKSA-N 446.298 0.674 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840155945 KPVWVFMDERICDE-XUJVJEKNSA-N 427.723 0.480 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380088 SCBZXHYSXNHSCS-HNNXBMFYSA-N 448.343 0.138 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348496 UUKKYKTXWJEFAF-UONOGXRCSA-N 429.901 0.368 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846154039 VDXVVEFQILLRKI-MWTRTKDXSA-N 439.516 0.473 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)CC2=O)c1 1847214498 TUEIFAXJGKCPIH-XFKAJCMBSA-N 435.908 0.850 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 14222511 ZBHRROWOJISTDI-UHFFFAOYSA-N 435.506 0.410 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 23157499 AQWAGRRNMKMLJO-JTSKRJEESA-N 436.424 0.367 50 20 ICGD O=C(NNC(=O)c1cnn(-c2cccc(Br)c2)c1)N[C@H]1CCS(=O)(=O)C1 730213598 ULAHZNYXSXWPMU-LBPRGKRZSA-N 442.295 0.766 50 20 ICGD O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)C(=O)N1CCCC1 730672765 LKFOHMXSJAOKBC-UHFFFAOYSA-N 436.944 0.805 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 732302020 RSTMFDVAZOYSGU-UHFFFAOYSA-N 445.544 0.929 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1 734240316 NZAALYGZDPDASF-UHFFFAOYSA-N 426.518 0.769 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 734485605 OJJPGTBFCDQQIZ-HNNXBMFYSA-N 438.550 0.430 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nc1 741092760 IYZGUIHPIYREAO-CHWSQXEVSA-N 433.556 0.750 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[S@@](=O)C(C)(C)C)nc2)CC1 741413173 PHJCYELYVXMVGF-MUUNZHRXSA-N 446.599 0.191 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[N+](=O)[O-] 742470326 CZCLPAJBNBKROV-UHFFFAOYSA-N 435.462 0.743 50 20 ICGD O=C(CN1CCN(S(=O)(=O)Cc2ccon2)CC1)NNC(=O)c1cccc(Cl)c1 744413538 AENNMQLIIHOTJE-UHFFFAOYSA-N 441.897 0.237 50 20 ICGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 747848026 OARXIKOTEVGSLI-UHFFFAOYSA-N 446.957 0.473 50 20 ICGD O=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 748129801 ISFOHMAKVDTOEE-UHFFFAOYSA-N 447.425 0.906 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1Cc2ccccc2O1 748332033 ZHNZAQHGMGSDSX-MRXNPFEDSA-N 449.445 0.207 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)COCC(=O)NCc1cccnc1 748594067 OPWLTZUKAUMPFH-UHFFFAOYSA-N 449.533 0.935 50 20 ICGD Cc1c(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] 748666540 ZHQJCOHQKGQVQV-UHFFFAOYSA-N 433.446 0.781 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)cc1 749589625 HOULMGAVBHERKJ-HZPDHXFCSA-N 425.555 0.819 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c1 750645276 ZUSKZHWBXJQKOA-OAHLLOKOSA-N 439.538 0.670 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 755705921 DJFXXGDMHNNWKG-QMMMGPOBSA-N 425.389 0.069 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(O)c1 755844372 DETSAFLQUOQUCS-UHFFFAOYSA-N 432.864 0.938 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C 755847889 YYPKJZPTKIOLLG-ZDUSSCGKSA-N 440.460 0.869 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 756656083 SWGICCGDSSVMDN-UHFFFAOYSA-N 430.465 0.536 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccccn1 758834681 QAFNXIJIHKRGBZ-CQSZACIVSA-N 431.474 0.268 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cccn1C 763995020 CVUDXGIGMZKPAJ-UHFFFAOYSA-N 429.433 0.048 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)c1 764063588 UCOOUJWOHNEPGY-UHFFFAOYSA-N 441.263 0.496 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764141982 JFXACYZHSWSSTR-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)c1C 764149696 YQJKQGLQGVZXKE-UHFFFAOYSA-N 441.469 0.899 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2cccnc2)c2ccccc2O1 764263353 DUDDGMOPWKDAHX-KRWDZBQOSA-N 425.445 0.092 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764267120 OGMYXFPNGXKXDB-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 764275110 JDGRGNHXRSVRDW-UHFFFAOYSA-N 447.411 0.686 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)cc2)CCN1 764288111 DXAZISHVBZJDQJ-UHFFFAOYSA-N 425.445 0.047 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765388461 DHLAQILBJDRPKU-UHFFFAOYSA-N 427.410 0.993 50 20 ICGD CCSCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730468 KKMMAPNEQBZAIA-UHFFFAOYSA-N 430.490 0.148 50 20 ICGD C[S@](=O)Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765731823 CGLNAOPBMZXRAQ-HKBQPEDESA-N 442.541 0.784 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnn1C1CCOCC1 767005804 WKRKVTPFGRIURN-SFHVURJKSA-N 444.444 0.687 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc21 770966700 ODRUNROSBNRVCP-UHFFFAOYSA-N 444.477 0.469 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 771996103 SCUHMOBVBKAGSN-CYBMUJFWSA-N 441.506 0.373 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 772147161 VQEURLZQLOGRFQ-CYBMUJFWSA-N 428.486 0.191 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)c2)NC(=O)NC1=O 772884869 QLYNFUDPKKMZPM-FQEVSTJZSA-N 443.847 0.472 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 775286857 CZDROOURTAUPPF-UHFFFAOYSA-N 427.866 0.983 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 775332681 BFCORUBBDWYHFE-CQSZACIVSA-N 429.502 0.920 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 779373698 WZFQJVHHHVKXPD-UHFFFAOYSA-N 440.913 0.809 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 782966752 PEALETKKFMCWLG-UHFFFAOYSA-N 425.232 0.544 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)sc2ccccc21 783352436 SNAAUUWTDYPVHZ-UHFFFAOYSA-N 438.469 0.862 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 784916005 LWOGRYZTGFUOGZ-OKILXGFUSA-N 439.538 0.984 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 784916193 VEZHMGWDNMNKOI-UHFFFAOYSA-N 429.499 0.403 50 20 ICGD C[S@](=O)c1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 797940847 UPUQHHRMGWYKLF-HKBQPEDESA-N 442.541 0.572 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cc(C)n(C)n1 799882822 FQHJGBPFQGCKGN-UHFFFAOYSA-N 432.550 0.884 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)o1 810386785 REHDRIDFFFBVJK-UHFFFAOYSA-N 429.433 0.852 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 815571040 SEHBXTWGDXKXSM-VIFPVBQESA-N 429.271 0.859 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)nnn1CCOc1ccc(F)cc1 815582677 MOMMXUZLMKLMDQ-UHFFFAOYSA-N 442.407 0.910 50 20 ICGD Cc1c(NC(=O)C(=O)NNc2nc3ccccn3n2)nnn1CCOc1ccc(F)cc1 815619043 AQBPCZOWYCPUCN-UHFFFAOYSA-N 439.411 0.929 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 864018273 YEXKSDSSHCARJO-BBWFWOEESA-N 444.513 0.991 50 20 ICGD CC(C)n1ncc2cc(/C=C/C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(=O)[nH]c21 894389937 WVRQHHYWRVJNOL-VMPITWQZSA-N 433.432 0.756 50 20 ICGD NS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1 913206259 MPXHQIGNZWYIRX-UHFFFAOYSA-N 432.502 0.795 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 913441267 UHVBUGFYPRZVPF-LLVKDONJSA-N 439.519 0.178 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 920309343 VALWQYCCRJEXHA-UHFFFAOYSA-N 426.451 0.809 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1[C@H]1CCS(=O)(=O)C1 1317732360 WUDPHDWZFVKIRS-NSHDSACASA-N 427.483 0.410 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@H]1CCOC1 1319048350 YIGDJTINVOVMOC-MRXNPFEDSA-N 440.522 0.007 50 20 ICGD COc1cc(Cl)c(Br)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1320889855 MIQJPBYYHALSJL-LURJTMIESA-N 428.692 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778493248 DRGYBDQEHOLPCJ-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779181812 QBKCJGZBSNGOCZ-GTNSWQLSSA-N 430.292 0.229 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1c(O)cc(O)cc1O 1781026628 DCIMITYFMLWSJN-SPYBWZPUSA-N 428.869 0.531 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1781259141 SGYSBYWJLSHJKW-MWTRTKDXSA-N 438.289 0.319 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781483432 WHJUXVWDCOAQLM-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1)C2 1782214197 LWEXMQQTQAJOAA-RZQQEMMASA-N 426.583 0.769 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1783871379 QORUQROLAXHLDK-DYESRHJHSA-N 437.924 0.842 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]2C1 1786787537 XGJQQMDKNWVOGF-YWKPPDPDSA-N 448.476 0.708 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984660 WBWOKDFAWDSUQH-VDGAXYAQSA-N 442.346 0.654 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286281 KZRWTLKNNPVDSW-NUTGUDPMSA-N 439.336 0.818 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870718 JCFHWWFAFBWEOO-VJTDZRGJSA-N 433.347 0.315 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(B(O)O)cc1 1793271429 SSJQAXULPANRQF-NGCGUOSQSA-N 439.233 0.833 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1793314035 ZLLRJBRCRJUHPK-CQUYNDQOSA-N 444.381 0.140 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 1793609605 XOAZMAZRXXEOFO-NWHWRWDZSA-N 430.929 0.809 50 20 ICGD O=C(/C=C/c1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794174006 NLKZMKMZUDPQNZ-PIHZNMFFSA-N 426.303 0.345 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)C(C)(C)C 1795113195 NGBKUPAKEJEUPR-XRGAULLZSA-N 432.359 0.912 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796288290 TZCOTMDRMZYFMX-YWVIFJGQSA-N 433.541 0.490 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)nn1C 1798755911 PZAJJMGGGHPLBP-MCYUEQNJSA-N 429.315 0.663 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1800759715 DFNYHFYDKRUXME-KNJYOJCESA-N 442.354 0.760 50 20 ICGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1803004429 GPRPPFFRSNKNRN-HQXJNDRVSA-N 440.504 0.992 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804349159 QRKZXIMNDZIRNK-HUJKARHJSA-N 449.316 0.437 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1807047604 JQCCOINOZUEVSQ-NZBPQXDJSA-N 444.305 0.371 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)C1 1809967018 PFXOMRWZCJFAIL-UHFFFAOYSA-N 441.253 0.156 50 20 ICGD COc1cnc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cn1 1809976795 QCMRUSHCCLIRET-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD CNCCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302202 IDNKRQSRLNVHHM-JXFKEZNVSA-N 439.520 0.399 50 20 ICGD Cc1nnsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475370 OZAHYIBVHZRRDW-HNNXBMFYSA-N 440.294 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCOC1)CC2 1819801654 OWCPIFWTJOWVDC-QWRGUYRKSA-N 430.490 0.404 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824702061 DVLUOGHWDXMQMX-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826539180 XPJUJWJXHSVWRX-ROUUACIJSA-N 442.520 0.197 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054880 NXKWWFDXPQTGAY-QGZVFWFLSA-N 432.355 0.226 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060657 WHLJCSATOVKYRS-PMACEKPBSA-N 448.394 0.714 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 1828926091 YITJHFJSXNSKQQ-QFBILLFUSA-N 429.521 0.955 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830728322 RQCCQEUBVGNUQU-QRWLVFNGSA-N 440.928 0.444 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732494 ZEBZZBWNOKJSNA-MLGOLLRUSA-N 439.818 0.703 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1)[C@H](O)CCl 1833310797 SUJLXITVVIAAAE-CYBMUJFWSA-N 425.860 0.268 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cn1 1833893860 OQEPPFSNTZJLIO-YLJYHZDGSA-N 425.913 0.968 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836055208 AVBSELKVSCODLM-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836398856 YWRXSZDSBMOCIF-QGZVFWFLSA-N 432.356 0.481 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836413936 RJZUSMQGZWFMSQ-NHYWBVRUSA-N 435.338 0.773 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1837903989 HSVWOJHPPBXXKP-UHFFFAOYSA-N 436.513 0.101 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838767318 BOKAUAGPVZGDFA-ZDUSSCGKSA-N 446.213 0.697 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202757 OVUYSLFYQCLAQH-NJXZNGPYSA-N 431.262 0.570 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351167 UEDOALHNHVLIRL-OAQYLSRUSA-N 449.580 0.707 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372917 KYZBZRCADQWGIX-YJYMSZOUSA-N 428.869 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840150454 LETWDCUZGJBDDS-OXJNMPFZSA-N 441.912 0.343 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840150598 NWTOQBPGTNMRHH-UZLBHIALSA-N 440.928 0.471 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1840155156 RBLOXBCEJPIABL-LAUBAEHRSA-N 448.907 0.954 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183568 MMNNYDRUYYBMLN-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C3CCCC3)C2)C1 1840185664 USWMWUGWADILTK-GLJAUCNMSA-N 436.553 0.562 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccc1 1840186699 CULZDPWWOBAUMX-WZONZLPQSA-N 446.548 0.620 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845061468 XLGIDDPHIIRNQM-UHFFFAOYSA-N 446.508 0.415 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 15639433 FHPPPLVEQZOKAS-AWEZNQCLSA-N 429.520 0.057 50 20 ICGD O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@@H]1COc2ccccc2O1 104527628 LBQLDEGMLSOEQE-LBPRGKRZSA-N 428.323 0.433 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H](c1cccs1)N1CCOCC1 725873599 OYFIAORNJXGHOR-CYBMUJFWSA-N 437.547 0.943 50 20 ICGD O=C(COC(=O)Cc1ccc(-n2cccn2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728328452 KJKATPAWRYJHID-IBGZPJMESA-N 436.424 0.945 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)COc1ccc(Br)cc1 728456493 PTVXPGSRBYYYSO-AWEZNQCLSA-N 441.282 0.102 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 728851843 YGQCWUPHOCVLKP-UHFFFAOYSA-N 426.545 0.884 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cc1 729511768 SCNUSOGFUURDHC-UHFFFAOYSA-N 435.462 0.876 50 20 ICGD Cc1nc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 733087750 BMTNLJFYHBLFNO-UHFFFAOYSA-N 438.531 0.866 50 20 ICGD CC(=O)Nc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735116669 BJUCTBZSWSMTAL-UHFFFAOYSA-N 432.506 0.733 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 735118856 YYRCOMPVTLNIOS-HNNXBMFYSA-N 438.554 0.109 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(Br)cn2ccnc12 750243981 SATBJSBOHRMCAH-RQSQLSILSA-N 449.265 0.487 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cccc(OC)c1O)OCO2 753842130 XZLDLKMJSIQOCQ-UHFFFAOYSA-N 431.357 0.316 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 756016812 AUIHAZWJTWRZEW-CYBMUJFWSA-N 449.489 0.795 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)c2N)c1 757709307 PYPFVMSCDKWTAN-UHFFFAOYSA-N 444.473 0.887 50 20 ICGD Cc1cc2c(N3CCC[C@H]3C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ncnc2s1 758043816 KYAOOIHPRGFQEY-JQWIXIFHSA-N 426.524 0.054 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1[N+](=O)[O-] 758834619 SBLBWDYFRNWNMD-OAHLLOKOSA-N 440.416 0.689 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)Cc2cccnc2)cc1C 760260611 OFWMVBXMXYYPOE-KRWDZBQOSA-N 447.517 0.001 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)c3c(C)nc4ccccn34)C2)nn1 762555749 KIENNLHDRDWGMO-ZDUSSCGKSA-N 426.437 0.712 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 763659081 IPVJYYRYZHUTSW-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(Cl)c1)CC2 763749822 FPAFYQLFUMXWPP-UHFFFAOYSA-N 436.877 0.598 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1 763796969 SYGIGYLFQIVQRA-UHFFFAOYSA-N 445.501 0.883 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c([N+](=O)[O-])cc1OC(F)F 763818382 KIZWXNLHRRKLDD-UHFFFAOYSA-N 439.331 0.791 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C(=O)Nc2ccn(C)n2)c2ccccc2c1=O 763822178 YNWADFGOKKUKDN-UHFFFAOYSA-N 425.449 0.720 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1C 763850178 OISYMGNWFZTRFA-CYBMUJFWSA-N 434.474 0.655 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002381 LPEHLVLDZKTBNT-VIFPVBQESA-N 448.295 0.368 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)c1 764061809 NMRDLFHIQLTBLE-UHFFFAOYSA-N 433.424 0.455 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764117268 OSHSGCWSFPGXPV-UHFFFAOYSA-N 448.819 0.348 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 764202870 LOMYMQHQRZDUQL-UHFFFAOYSA-N 427.527 0.525 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 764232119 RFGCETLSIVGAHQ-CQSZACIVSA-N 428.470 0.110 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@@H](CC)c2ccccc2)c1=O 764328244 NIMKGVNQWHJFMV-HNNXBMFYSA-N 428.445 0.691 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765314116 TXSASVLPCPPZEK-LBPRGKRZSA-N 446.501 0.945 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)n[nH]1 765600012 JKJWAPWCXWHORI-UHFFFAOYSA-N 433.421 0.947 50 20 ICGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739327 UBEMZYWAFPNJNM-UHFFFAOYSA-N 438.488 0.414 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCOC(C)C)CC2)cc1 766635691 CRLVEQLMJDKQSP-UHFFFAOYSA-N 426.539 0.264 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 772047032 YUPVZUQZOWJXDJ-JLFXFPADSA-N 430.461 0.279 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772884354 JGQNXMLCBSYVLJ-NSHDSACASA-N 442.863 0.798 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 772972069 RRPWIJLYKQSJAI-SNVBAGLBSA-N 433.852 0.458 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 774010061 VGHWANZGNBQMKR-LLVKDONJSA-N 436.856 0.178 50 20 ICGD C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CS2 777832140 KCTSDTUPPYUDGU-ZWNOBZJWSA-N 426.358 0.267 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CC(=O)NCC(F)(F)F)CC2)cc1 779675505 FSDRHDIHVCJVNT-UHFFFAOYSA-N 429.443 0.329 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc4nn[nH]c4cc3F)CC2)cc1 781955662 PMVMSTSXKXLPKQ-UHFFFAOYSA-N 425.468 0.984 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2ccnn2)cc1 784212995 JBASGEQQRKUNHP-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 784842778 YMHHETSNJKEOKS-UHFFFAOYSA-N 435.462 0.193 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1ccnc(F)c1 784849117 OFFWOPBOLRDCCX-UHFFFAOYSA-N 430.440 0.699 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1 785230669 CJFVRHBLPQJRCH-UHFFFAOYSA-N 426.481 0.341 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)cc(Br)c1F 787554869 ILSSTJIVGWGSMX-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 788166159 JBKHMWHIBHMKEJ-UHFFFAOYSA-N 445.492 0.354 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)ccc2N1 788496795 ZHNSBDIWMIMJAG-LIRRHRJNSA-N 444.469 0.850 50 20 ICGD O=C(COC(=O)C1CCC(NC(=O)C2CC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 795962652 LCZDJIFMLFUAJM-UHFFFAOYSA-N 432.433 0.984 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 805879133 CNAJVBZLMHBSQS-UWVGGRQHSA-N 443.530 0.919 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1C 810526229 ADURAFIRMZNUJR-UHFFFAOYSA-N 433.490 0.380 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)COc2ccc(F)cc2)cc1S(N)(=O)=O 812429388 YYXSPFLCUCXTHN-UHFFFAOYSA-N 426.426 0.391 50 20 ICGD COc1ccc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O 812431900 SRNJBMKQFQBXNZ-UHFFFAOYSA-N 428.492 0.572 50 20 ICGD COC(=O)CCC[C@@H]1CCCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 814784431 DHYSAAOTPOFPPP-LBPRGKRZSA-N 425.511 0.577 50 20 ICGD O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)N[C@H]1CCS(=O)(=O)C1 915880305 FOXCTUMNPLFGRW-ZDUSSCGKSA-N 433.490 0.254 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nncn1C 916580613 LFEASEDTXJIHMG-ZDUSSCGKSA-N 435.510 0.695 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1O 919755579 FEQBPDJRIAENGN-AWEZNQCLSA-N 449.485 0.933 50 20 ICGD C[C@@H](Sc1ncccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 1322301955 CICOMVLAOYWYAM-OLZOCXBDSA-N 440.547 0.380 50 20 ICGD C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)NC(=O)NCc2ccccc2)C1 1780559649 YXEMYEBAEPESDQ-AUSIDOKSSA-N 441.532 0.480 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781094870 JJMWGUREOXJYBA-MNEFBYGVSA-N 435.396 0.689 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1783879806 BBGPYPBTCWOOSR-DICRZQGBSA-N 427.929 0.471 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1783933711 VXLPUXXCCAELBU-HXUWFJFHSA-N 435.550 0.377 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(F)(F)F)c[nH]1)CCO2 1783934172 BINAHMRCEOAIBI-SFHVURJKSA-N 445.442 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1783935305 SVFOYRDSGJKYTP-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1F 1785049722 ZKPORFNNJVGTFM-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926306 RFMLSIPXGZQNCB-CXOVXGEYSA-N 436.322 0.961 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4C=CS[C@H]43)[C@H]2C1 1790627556 MKJJBFDPVJMRSP-LMPZSCFUSA-N 443.529 0.154 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1792868004 QAHANQIKQULOEU-IGNRKKQASA-N 425.327 0.702 50 20 ICGD C[C@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1794142350 HWOZULASXVBSAQ-RMEBNNNOSA-N 430.933 0.891 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cccnc13)C2)c1cccc(B(O)O)c1 1795739262 XUTXKPRIHXBXGF-RMFSNUHRSA-N 445.284 0.432 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796187913 LLLDQYIKDBFLDD-JAQSECSASA-N 428.294 0.208 50 20 ICGD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(C(F)F)n1 1796189125 YWDOXAPUMVFWRX-QDMKHBRRSA-N 432.236 0.603 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796353749 QLNSZYQYHVENLK-XHSYRHOGSA-N 429.271 0.122 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)no1 1797827577 SRIGOKQFWGUXDI-ZSBFGKGUSA-N 438.557 0.154 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800157214 KZEILBLJCVZZDD-GFQSEFKGSA-N 440.335 0.046 50 20 ICGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)Oc1ccccc1 1801012627 CRXIRKSSHNGHEE-PRHHBONVSA-N 446.548 0.807 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802247391 URFRKXOIEJREKT-USYVTKNRSA-N 440.305 0.374 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806589875 GCBRLPHEABYHNU-ZDUSSCGKSA-N 443.342 0.943 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807364063 RWHUFVQUAXZJQH-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366332 YIQOLPAQSWWHRP-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1808777301 DFUUCGIAPKUZKM-XGHQBKJUSA-N 444.536 0.081 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3[nH]nc4ccncc34)CC2)C1 1809978162 OHOLKGBAZBEBKF-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(=O)n2O)n[nH]1 1816149273 SHFUCINCHQSGPZ-AWEZNQCLSA-N 445.480 0.488 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479427 MQWYIJHZRITIQO-GDBMZVCRSA-N 434.689 0.649 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)n[nH]1 1819994218 BWSNAVHHFGFQGU-LBPRGKRZSA-N 433.538 0.702 50 20 ICGD N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820932928 VKPDFBKGJKYAIB-MFKMUULPSA-N 430.282 0.932 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCCCC2=O)n[nH]1 1822303337 CNFISVLLHVRNIM-MRXNPFEDSA-N 447.540 0.787 50 20 ICGD CN1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)C1 1823000896 UVKLFAJYZKHHLL-INIZCTEOSA-N 426.481 0.276 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1825994113 HWSWYIMZEHUUSG-QWRGUYRKSA-N 440.909 0.624 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(CO)on1)CC2 1826088159 BJZQMWWMWCYVOV-JTQLQIEISA-N 436.494 0.222 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826866011 CSDHKRFKTYEXME-SFHVURJKSA-N 440.309 0.792 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050299 MABJRJAKOYNHDX-OAQYLSRUSA-N 443.353 0.468 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)no1 1827050394 QVOIHKAKDNKRQB-IBGZPJMESA-N 440.309 0.534 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358570 PKJURGHTQBTZAA-LJQANCHMSA-N 428.917 0.764 50 20 ICGD O=C(CCOc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725798 RVOGKBGJQIROLC-YLJYHZDGSA-N 426.897 0.512 50 20 ICGD O=C(c1cc2[nH]ccc2s1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731807 PUZAISASQFEFEP-ACJLOTCBSA-N 427.910 0.899 50 20 ICGD COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738591 QGXZXKBRVWMSQD-KXBFYZLASA-N 434.917 0.166 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738673 RUBVJZUVTAEEGQ-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833199202 LEGAHZATVDVEMW-YLJYHZDGSA-N 438.601 0.827 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306454 RWIBHDOHXXWBFK-KRWDZBQOSA-N 430.977 0.320 50 20 ICGD O=C(COCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835365277 PUVOMCFDHFQSGE-FXAWDEMLSA-N 426.897 0.259 50 20 ICGD O=C1Cc2cc(C(=O)NC3CCN(C4CCN(C(=O)[C@H](O)CCl)CC4)CC3)ccc2N1 1835514879 ROMSTAIAZFQMHK-LJQANCHMSA-N 448.951 0.966 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835977178 XEUPWUQWGMRUBE-BLLLJJGKSA-N 449.733 0.776 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@H](F)Br 1836413359 DAAIOXTWWHMPMO-STQMWFEESA-N 428.730 0.848 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710213 OGGCRQXUAGKTJX-BEFAXECRSA-N 429.590 0.209 50 20 ICGD CCOCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922048 FOGGCCXUVYOIGX-UHFFFAOYSA-N 432.326 0.405 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1838218879 UYAZPRRNZZRVED-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839102985 ABIDZEIYNLNULV-ABSDTBQOSA-N 430.977 0.096 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840032656 GLCIUICDILPKGV-DYVFJYSZSA-N 444.330 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840152494 JTWJWIVOACFGGW-YWZLYKJASA-N 436.896 0.658 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1844692379 QETVAPFKAWIHIF-HNNXBMFYSA-N 430.417 0.616 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1847006100 XWPASTFIRCLINF-PTZPRWATSA-N 430.509 0.629 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c(C)n2n1 27317251 NSYCETMPWRODMQ-UHFFFAOYSA-N 438.473 0.703 50 20 ICGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)C(F)(F)F 105569659 RMEYDIPYRNSIDB-QGZVFWFLSA-N 438.366 0.913 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)C3CCCCC3)cc2)CC1 728214416 ORLJAFZHEITPHL-UHFFFAOYSA-N 437.566 0.762 50 20 ICGD C=C(C)CN1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 730066038 CDDBAOCAMOSPJU-UHFFFAOYSA-N 437.566 0.986 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 732196285 CHACHUCHMIPEBR-HNNXBMFYSA-N 433.534 0.795 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cnn(-c2ccccc2)c1 733108881 PUTYSVDGLWTDAZ-LJQANCHMSA-N 440.504 0.347 50 20 ICGD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744402343 NIZVKRHLGPYJQH-FXAWDEMLSA-N 440.548 0.632 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)cc1 744403423 OIUBDHNNSWGELP-UHFFFAOYSA-N 439.582 0.084 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC=C(C#N)C#N)c(=O)n2Cc1ccccc1 747821834 LRKGXDZKHPPOMM-UHFFFAOYSA-N 446.471 0.616 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 751209071 JZBNRFWDHWZEQT-UHFFFAOYSA-N 425.426 0.782 50 20 ICGD COC(=O)C1(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CCCC1 751998799 BMPIUYFOQBGJLA-UHFFFAOYSA-N 425.511 0.966 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC[C@H]3CCCN3S(C)(=O)=O)nc21 753698810 XXBMLRKBZUKNOP-SNVBAGLBSA-N 426.503 0.337 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)N=c2nc[nH]n2C)c1 757759903 AVIILFSQFRNEIU-UHFFFAOYSA-N 445.461 0.513 50 20 ICGD Cc1c(I)cccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758053015 KPBSOQJVEQTPDG-MRVPVSSYSA-N 425.248 0.298 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)C(=O)Nc3ccccn3)cc12 758841306 WXOCOUMGDXPGHW-SNVBAGLBSA-N 429.462 0.243 50 20 ICGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 760394053 OKXVLMBQVQOCKN-UHFFFAOYSA-N 438.428 0.608 50 20 ICGD Cc1ccncc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763513180 ZCOGIASGOLGZKU-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718860 PDSBUJCWIYHPQN-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764278201 MHAUNNZDCLQKNQ-UHFFFAOYSA-N 448.501 0.799 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 765882090 RADGLJCOXIAVLI-ZDUSSCGKSA-N 436.494 0.663 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccc(Cl)cc1 766651136 MMRYSRUUOSYMBY-UHFFFAOYSA-N 443.891 0.884 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 767276140 LMXYJNACCQDEQB-UHFFFAOYSA-N 439.877 0.843 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNc3ccc(Cl)nn3)cn2)CC1 770027359 OIJURLUSJJAJGH-UHFFFAOYSA-N 426.890 0.755 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 772995191 NPNFHBYONBDCKK-SGMGOOAPSA-N 443.909 0.290 50 20 ICGD O=C(CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)NCC(F)(F)F 779676123 RGXIZSMXXJJEKR-UHFFFAOYSA-N 449.861 0.674 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 785717883 NUHXPQRKBFXBMS-RBUKOAKNSA-N 443.500 0.669 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCc3ccccc3C(N)=O)CC2)cc1 792239051 ZIUGMANZMOIORQ-UHFFFAOYSA-N 437.544 0.992 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 792799283 YPDMAFXCBBHIMT-KUHUBIRLSA-N 435.502 0.421 50 20 ICGD CN(C)N(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H]1CCS(=O)(=O)C1 792853216 CNKKUNXOYBLKMA-PBHICJAKSA-N 449.533 0.029 50 20 ICGD O=C(Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1)c1ccncc1 793451332 RFWZHOYDZHTZIJ-AWEZNQCLSA-N 441.473 0.498 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2c(C)cccc2=O)cc1C 795771418 PAAAMPQPZYTEOA-HXUWFJFHSA-N 435.502 0.844 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 796569057 USXNBHDMLPBDNW-UHFFFAOYSA-N 445.925 0.543 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C(N)=O 796999158 PCZJDJMWDQROSO-UHFFFAOYSA-N 442.428 0.744 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(C2CC2)no1 799294969 TXSCPSDURNGHNV-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD Cc1nnc(COCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 802828173 VLSNVMWYIKUFKJ-UHFFFAOYSA-N 440.551 0.443 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806743616 HDLKHQCGDNAWCA-UHFFFAOYSA-N 438.379 0.921 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)(C(F)(F)F)C1 808044273 RLKLSYOBEPPSAH-BMIGLBTASA-N 443.444 0.758 50 20 ICGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Br)cc3)cn2n1 810384237 BAVSPWAVMIXPDV-UHFFFAOYSA-N 447.249 0.965 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(C2CCOCC2)nn1 811305322 OXPNCSCOXZXLDD-UHFFFAOYSA-N 437.840 0.910 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 812731404 KSGQOQGGANFZTO-UHFFFAOYSA-N 429.524 0.283 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813034145 ZBOAPAYGOSTRAK-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)OCC)ccc21 815570913 OXVCRPTYKAOPJI-UHFFFAOYSA-N 428.348 0.404 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccncc1 912768630 HPZAJBDFOSJWOY-UHFFFAOYSA-N 434.474 0.763 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 912980404 AOZYFFXPOJZLOA-UHFFFAOYSA-N 437.386 0.776 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccc(Br)cc2)c1 916041296 FIUZKRUQJJCEGL-JTQLQIEISA-N 427.280 0.831 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(N3CCOC3=O)c2)c1 916094487 KTJLUDMQSOXQFL-UHFFFAOYSA-N 432.458 0.968 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c2ccccc2c1=O 916123132 JLSZXVHOIJPJPI-UHFFFAOYSA-N 426.477 0.622 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)S(C)(=O)=O 916147787 COKWOXNBGIPJGP-ZDUSSCGKSA-N 428.474 0.583 50 20 ICGD COc1ccc(N2CCN(CCCNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 916196479 IFVWNZKLQOITLZ-FQEVSTJZSA-N 439.582 0.588 50 20 ICGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916270852 QHVOFSQHAVOXEG-UHFFFAOYSA-N 425.511 0.330 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[nH]c2c1C(=O)CCC2 916529447 ZAIZUPSOSSYVRJ-INIZCTEOSA-N 427.413 0.986 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2ccc(S(C)(=O)=O)cc2)nc1 916567757 IHSHOJTXITWLIJ-UHFFFAOYSA-N 441.535 0.998 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1C 916645132 FCWGRRYFLJTAMH-UHFFFAOYSA-N 447.517 0.692 50 20 ICGD Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918550649 KDMBIZSJVTVZOL-CYBMUJFWSA-N 432.458 0.423 50 20 ICGD O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317924345 UOMMLDWIQXLMLS-SNVBAGLBSA-N 442.544 0.510 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332176 VHICSKFIJXQMQH-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782719138 VIFIXAGSQDLZNU-LJQANCHMSA-N 434.204 0.195 50 20 ICGD N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCC1 1783124701 CBVINYJOUWFYEA-XMSQKQJNSA-N 425.294 0.188 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1783498393 QNLQKGJXJUBWLE-ABHRYQDASA-N 438.363 0.705 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783545811 LRYRHEZAKOHKTN-FRMGNDQPSA-N 447.919 0.980 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1784056593 AJSNIBLUDAWQKD-HSZRJFAPSA-N 440.280 0.500 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc(Cl)n1 1784091179 KWDNLTRZQICWEM-PYJNHQTQSA-N 432.304 0.937 50 20 ICGD CC(C)n1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1C(=O)O 1785715287 MCIYHIJBXKHLSU-RKLWJJNISA-N 442.900 0.355 50 20 ICGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1786531834 NGDNXRFKXPPUFU-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cs1 1786979374 BCZMDFKVLVBNBQ-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1788892534 GGHDVNDGBYQCNM-ZVZYQTTQSA-N 433.509 0.057 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21)[C@@H](F)Br 1789922511 OCOIDTWJLMNXBQ-JYYRZZBQSA-N 432.246 0.369 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1CC1 1792638098 UTOHIJPZUXIYFK-YXPYIKCWSA-N 445.944 0.575 50 20 ICGD COC(=O)C12CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)(CC1)CC2 1792981052 DFWRFSQMXXCELA-FWBCYNTJSA-N 442.940 0.689 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793779887 QJKLQKZOAPQAMK-MBZOWXSBSA-N 441.956 0.621 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc(-c2ccccn2)nc1 1794257220 DMBLVFPHQAQIIJ-YALNPMBYSA-N 431.880 0.342 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1795116596 WSXTWFGMRWVQHA-QHBPRCKVSA-N 440.273 0.857 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889763 GIPMVNFCMAULER-OXFAYYTFSA-N 429.477 0.878 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800642644 UNLOBLWHPBPSDR-KSWRQPAISA-N 445.402 0.385 50 20 ICGD CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804078728 LQEPZMAMCZDYKZ-RXVVDRJESA-N 439.321 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1806113094 VLOLGACFIIPKOM-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1807364859 UGIYPSKCRPWTGN-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369348 HHOUEJBXJYFMRW-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CSC(=N)N)[C@H]1c1cccnc1 1813071365 OHXKOFOTLKBPFV-KSSFIOAISA-N 435.554 0.087 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc(F)c1)CC2)c1ccc(B(O)O)cc1 1815337304 RJFXKQGFVZPAAV-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476816 DKLNXACBLAOBRV-LVMGUKCRSA-N 439.281 0.435 50 20 ICGD CC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816295 DAGTVPFEGGKGRY-CABZTGNLSA-N 433.860 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnsn2)[nH]n1 1819401884 DKQWZNCFJYUFRZ-CQSZACIVSA-N 441.477 0.879 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819579752 NTPPCPGPECWSDO-SUMWQHHRSA-N 439.281 0.086 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820150032 XJKNFQBICAGYFA-VXGBXAGGSA-N 436.538 0.119 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCCN1 1820818438 RZLDLAFTPXOBHY-LAUBAEHRSA-N 425.298 0.538 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1C 1830354103 SAPPFXSRLKIYTM-FQEVSTJZSA-N 426.945 0.992 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731649 NDNKIUWSYQZNMY-LIRRHRJNSA-N 440.859 0.372 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735682 LONWZZWGOZRMIJ-UTKZUKDTSA-N 438.908 0.220 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762131 DLTBVRUWAXPEJX-IIDMSEBBSA-N 432.359 0.711 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833266243 XAGFXUBAFPOHTL-GFCCVEGCSA-N 432.363 0.257 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1833442471 KBGVABWXOWLOOL-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833456365 RJZMFDNDEROFSH-MRXNPFEDSA-N 437.990 0.247 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1833533653 INCVYCKOTGXDFF-WIYYLYMNSA-N 445.004 0.616 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834090452 RIXZDYCJRUGSTP-GFCCVEGCSA-N 427.347 0.784 50 20 ICGD Cc1oncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834240075 BAZDEYZLNQBEHG-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cs1 1835797378 NECSHGBJULJNEU-HZMBPMFUSA-N 437.291 0.486 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncncc4c3)CCO2)C1 1837028027 YELXZQJRAJOWQM-LAUBAEHRSA-N 448.907 0.954 50 20 ICGD O=C(c1cccc2ncsc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837067993 NBGDPMPFYZEJSC-HNAYVOBHSA-N 439.921 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3ncccn3)CC2)CC1 1837211809 FBAVJYYLNYMMTO-UHFFFAOYSA-N 446.552 0.391 50 20 ICGD CCO/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920750 BAOASWHDLRYGLG-LFIBNONCSA-N 430.310 0.529 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838502157 ZFNUNGKUTRUCDP-VLIAUNLRSA-N 449.895 0.177 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839379522 CYYSOGTZFXVPCA-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107628 UKIWGRIANMHDFL-KSSFIOAISA-N 446.342 0.239 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)c3ccccn3)C2)C1 1840156828 VHJORNHXCVBRKI-GUXCAODWSA-N 425.913 0.895 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421296 NWWJRECHMQQMRP-WOSRLPQWSA-N 430.303 0.079 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1840894317 KYZIOVXYCCPQEN-MBSDFSHPSA-N 446.548 0.620 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841571639 VDOMPAQAOARERR-NHCUHLMSSA-N 434.301 0.996 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)n[nH]1 1844769556 XGULVKKVMAXTNK-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825082 NZRWXTZCBJPVPZ-LBPRGKRZSA-N 431.218 0.650 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847559080 JDKCTLOFBXPAMT-YXMSTPNBSA-N 445.944 0.406 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 109205415 SYZNNBMDHVGMRG-UHFFFAOYSA-N 437.547 0.893 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(-c3cnccn3)n2)c1 728265761 WOFAFQCKIMDDPY-UHFFFAOYSA-N 432.487 0.925 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 728312259 JPUSJTKGKZRWOC-UHFFFAOYSA-N 425.894 0.957 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 728852759 UTCLZYVLGOIHOZ-UHFFFAOYSA-N 427.486 0.633 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1c[nH]n2c1nc(=O)c1ccccc12 728890529 UTPWHZYUECKHAK-UHFFFAOYSA-N 432.444 0.643 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3ccccc3F)cc2)CCN1 731358857 FEGANEMATPTDIU-UHFFFAOYSA-N 427.436 0.471 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734239549 RVMMFZAZWZHGBN-PTNGSMBKSA-N 448.459 0.974 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 734241302 AWAYXQIRPQGIOE-UHFFFAOYSA-N 426.495 0.848 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cc(Br)c[nH]2)C(=O)C1 741208336 XOWQINDNNNSTEW-UHFFFAOYSA-N 444.286 0.618 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744551218 KKOYTUKZMGHRIO-ASSNKEHSSA-N 441.444 0.363 50 20 ICGD COc1cc(C(=O)NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 748827606 OGTCSIWMDWSLDI-UHFFFAOYSA-N 444.510 0.328 50 20 ICGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 749864764 QJIPQOLFZOCCRY-UHFFFAOYSA-N 429.524 0.413 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(F)cc1Br 755199280 PXIJGRSKTSTXRY-MRVPVSSYSA-N 448.274 0.450 50 20 ICGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)n1 756645412 JDVJXBWQHUDZGT-UHFFFAOYSA-N 443.420 0.930 50 20 ICGD Cn1c(=O)oc2c(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cccc21 757095474 DUXGNYXMPUVVFR-UHFFFAOYSA-N 437.456 0.351 50 20 ICGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)C(=O)Nc2ccccn2)c2ccccc21 760433302 PUZPAIYTELHGDG-NRFANRHFSA-N 425.445 0.243 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNc1nccc(N2CCOCC2)n1 762854967 BLIBNZCQVNKFFR-UHFFFAOYSA-N 429.393 0.090 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)ccc1C 763619335 SWVNNWNUURPUPV-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)c1 763773326 WCKLJJYGOCASKN-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1OC 763901149 GHTWGVGWWYWIGV-UHFFFAOYSA-N 426.429 0.780 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 763944068 LEIATBBRLGJHBM-UHFFFAOYSA-N 449.427 0.168 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(COc2ccccc2)cc1 763998315 PBDYJOJXNDVSAW-OAHLLOKOSA-N 431.470 0.786 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 764041684 ZUDNNRMPSDCQAO-UHFFFAOYSA-N 440.456 0.876 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 764203406 LYKVBTQZJZDGHR-UHFFFAOYSA-N 433.465 0.363 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 764274664 AMYNVYLKZKWLFQ-UHFFFAOYSA-N 447.835 0.740 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1ccn(CCN2CCOCC2)n1 764343258 SHUBGXPCBAOCHW-UHFFFAOYSA-N 426.433 0.361 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764426140 TXLLHVWTLJSEBR-KRWDZBQOSA-N 445.476 0.011 50 20 ICGD CCOc1c(Cl)cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764817370 LDHPDKNVTBBWLX-UHFFFAOYSA-N 448.867 0.645 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccccc1Cn1cncn1 765732507 HZANMTGPQFFCMM-UHFFFAOYSA-N 447.499 0.545 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 766261239 QDIQXABFRXYMKU-INIZCTEOSA-N 441.492 0.733 50 20 ICGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 770228580 QGXFNOLZXPRDST-SFHVURJKSA-N 439.831 0.016 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 771021856 WOEGLFPHXGKNNW-UHFFFAOYSA-N 433.450 0.083 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186122 NDRXXQYQFKLRPW-FZMZJTMJSA-N 449.913 0.104 50 20 ICGD CN(C)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 779643134 VBJJWXBMQIFMFW-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)c2)c1 782964924 BHMRKISPGQPYLS-UHFFFAOYSA-N 448.435 0.238 50 20 ICGD N#CCCCOc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004691 JLABCRJVECLOCA-UHFFFAOYSA-N 429.458 0.947 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784005090 ZMFRFQFOWCHWFJ-UHFFFAOYSA-N 440.416 0.049 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNc2nccn(C)c2=O)CC1 785090786 YGKOFHXRZXBSMF-UHFFFAOYSA-N 433.900 0.657 50 20 ICGD CC(C)CN1C[C@H]2CN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CCN2C1=O 787857063 BNQQEMDJUDXXLQ-QGZVFWFLSA-N 444.540 0.512 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)cc12 789810860 RFSZTCIVICFCET-GUYCJALGSA-N 436.428 0.320 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 792813081 YOENZOLRGSQKHA-UHFFFAOYSA-N 429.458 0.589 50 20 ICGD Cn1cncc1CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792842442 HRRIHXMHALSUJX-UHFFFAOYSA-N 449.533 0.154 50 20 ICGD CS(=O)(=O)C1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCC1 793274677 ZADPVXVCAMGDIT-UHFFFAOYSA-N 437.566 0.496 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(OC)c1 797368800 GZUWCZSHEIVLGG-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)CC1 802940085 ZHIMDJBZERQYCS-UHFFFAOYSA-N 434.522 0.631 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1 806973329 LJURTPHHZOZQCJ-UHFFFAOYSA-N 442.472 0.845 50 20 ICGD CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2F)ccn1 810386927 XPPODEQEPNIWSS-UHFFFAOYSA-N 432.412 0.020 50 20 ICGD Cc1nnc(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 812485756 OYSHKEQXLXYSFS-UHFFFAOYSA-N 438.535 0.818 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 812732349 BRPJBCJMDJTCTI-UHFFFAOYSA-N 429.499 0.021 50 20 ICGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 814249359 MOZSUZVBUGIWSZ-UHFFFAOYSA-N 429.343 0.442 50 20 ICGD CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877659 UPGMSAKSPMROLY-DOTOQJQBSA-N 438.488 0.889 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 912921028 HYVCPOUUWPLVQP-BETUJISGSA-N 441.326 0.826 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 913025860 KMFYSYZHOYZAFI-UHFFFAOYSA-N 444.311 0.388 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)cc1[C@@]1(C)NC(=O)NC1=O 920832322 LOIXWGSKKJKTAX-QGZVFWFLSA-N 437.434 0.036 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1115987231 UYNFDNTVJNVMQX-QMMMGPOBSA-N 439.309 0.048 50 20 ICGD CS(=O)(=O)Nc1ccccc1CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318388953 LRBRUSUPEADBGB-UHFFFAOYSA-N 432.506 0.455 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c2ccccc2c1=O 1319628837 MNQKZSKKVZLOMH-CYBMUJFWSA-N 446.489 0.759 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)n(-c2ccccc2)n1 1327718587 VLCBGTQIDMMFSS-HUUCEWRRSA-N 429.477 0.919 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778784298 YPJDTSPGRMTJSM-SPYBWZPUSA-N 431.917 0.596 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779332410 VOAARYYQBDIUHK-KKSFZXQISA-N 432.525 0.085 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781102189 JJMWGUREOXJYBA-KFKAGJAMSA-N 435.396 0.689 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782049878 GUXSWUKBOWXGEF-QFBILLFUSA-N 440.884 0.704 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1782060476 AHOLKBLWJVUSMB-QFIPXVFZSA-N 427.505 0.683 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933698 DHBOXTHIFXUSQO-KKSFZXQISA-N 432.525 0.085 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1783974893 WDPISMJUHAMILN-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD Cc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785206023 RHICNWMSUDOYEI-BJLQDIEVSA-N 445.564 0.675 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)o1 1791721677 PDYQAEVFFLALOP-JVPBZIDWSA-N 441.488 0.423 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792161705 NXPSANVNMLECNB-BDEQVHRXSA-N 429.477 0.079 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655169 CKOJPYNQCJDCKA-VKZHRDFRSA-N 435.226 0.918 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800762598 FGHYKZCMEIKHJH-MJRMRKOOSA-N 427.343 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc21 1801115559 LNEMDOYSNFXXFM-ZRAXVTTISA-N 428.533 0.679 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1804908230 FVZLUYKWLSWVOL-IBGZPJMESA-N 429.326 0.126 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373930 DQMIVNJSYGTIMU-TZIWHRDSSA-N 446.272 0.028 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374607 LUODBPFRHNZDQP-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnoc2)[C@H]1c1cccnc1 1808524448 KVMUQEMGUQJHRC-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD O=C(CCBr)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1809067165 NBBSSCHSZSFRIX-KRWDZBQOSA-N 432.359 0.653 50 20 ICGD CCc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n(C)n1 1809971408 VWQBXXBEBSIVKJ-UHFFFAOYSA-N 438.337 0.821 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1813070903 LYDQLXNVWDFWTO-VGSWGCGISA-N 441.536 0.816 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810234 MKXUATAFNBHAJK-BBBLOLIVSA-N 446.371 0.821 50 20 ICGD CC(C)(C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814817286 IXMLWQLSQDERRJ-FUHWJXTLSA-N 428.298 0.802 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnc1 1815003936 ZULHGNQGCBRPDS-KSSFIOAISA-N 436.281 0.853 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344017 CEDLDQXWOMMGLF-CQSZACIVSA-N 439.306 0.702 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2 1817279790 FKCWUHKJKYVVPE-RYLVXRGGSA-N 441.477 0.621 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473483 WAORZDNSBOEEKN-QGZVFWFLSA-N 430.270 0.058 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1822859393 CDKBGGXXRAGALZ-VPCAEXAFSA-N 448.332 0.890 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1825717006 YYVPGDVUOHQLCR-SFHVURJKSA-N 425.298 0.042 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046459 ICRBFYAKMKIDQQ-GJZGRUSLSA-N 436.900 0.251 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049059 IICATQRQRLCDFM-OXQOHEQNSA-N 443.353 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544434 YFVVBAOOEMLVQD-HEHGZKQESA-N 441.750 0.728 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1833446024 ARGNQEYQISIURG-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834777949 OFGMQJWSUUFKFE-SSDWJNDTSA-N 433.299 0.346 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1835668809 KWCRSMFSMHJPIU-PASDCYSWSA-N 426.989 0.498 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836920236 YWQBPBGFKZUNFF-JKSUJKDBSA-N 442.944 0.991 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837038407 HFMZAYFEKXBAGV-HNAYVOBHSA-N 440.859 0.372 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)C1=O 1837137843 IWSVYZKYOPFOGM-BEFAXECRSA-N 439.827 0.426 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1837702912 PSVGVOJBTJXQKK-QWQRMKEZSA-N 446.342 0.307 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)C1 1837715139 YWIAASVXHXDBHL-FXAWDEMLSA-N 427.618 0.636 50 20 ICGD CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1837997468 FGPKRHNZNNZFCF-UHFFFAOYSA-N 448.568 0.957 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838144997 KRDFLVACPKOLMT-UHFFFAOYSA-N 434.541 0.703 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255363 JFYPVGIDBXVNOS-INIZCTEOSA-N 447.717 0.985 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c(O)n1 1838672046 CAUKMXUXLQHYLI-CXAGYDPISA-N 446.273 0.856 50 20 ICGD O=C(Cc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198780 AXWOIVIUPYXUNI-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1839964610 XAJICUVWSDYHCU-QIIPPGSGSA-N 448.358 0.483 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1840154519 YDZHCWLBYDANSE-HNAYVOBHSA-N 429.876 0.853 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1840369733 NJQZESHNSKMHLI-SUMWQHHRSA-N 430.299 0.765 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842853984 ZRDXCMYHMQQBGV-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD CCN(CC)C(=O)CN1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725874316 YMCWSLVEWVBQQI-UHFFFAOYSA-N 438.554 0.095 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 728609201 SCQBAAURFSAUCF-JTQLQIEISA-N 434.312 0.338 50 20 ICGD O=C(NCCCCN1CCN(c2ncccn2)CC1)NNc1ccc(-n2cccn2)nn1 729615301 YDQVVFUZUSNXDZ-UHFFFAOYSA-N 437.512 0.681 50 20 ICGD Cn1cc(-c2cncc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2)cn1 731186674 ZDDJTUUKNPUSJL-UHFFFAOYSA-N 434.865 0.858 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 732065854 YTACAQCQEDRYJB-RBSFLKMASA-N 448.505 0.684 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 732262190 RODOXYCPGVBCAL-WCJKSRRJSA-N 445.520 0.409 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 732590632 SSTCERNVAYCRJW-LBPRGKRZSA-N 440.382 0.524 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 733755351 WTBFXTVKQNZMGI-YJBOKZPZSA-N 449.423 0.751 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 734222296 RTNNNVBOEFFDLG-KBPBESRZSA-N 438.554 0.879 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H](c2ccccc2)N(C)C)CC1 735116887 JUAZBPOBYRTJIC-GOSISDBHSA-N 432.550 0.764 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 735517272 BBQBEGHILQZLJU-VQIMIIECSA-N 440.504 0.763 50 20 ICGD Cc1ncccc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1cccnc1C)N1CCOCC1 741766733 NEOWOPLTAJERJQ-FQEVSTJZSA-N 437.504 0.785 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 742451021 NSYIIHUVROQMPK-UHFFFAOYSA-N 435.362 0.884 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C1=CN2CCS(=O)(=O)N=C2C=C1 743729976 KKBLCSQHFSUJAP-UHFFFAOYSA-N 441.263 0.413 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)c1cnn(-c2ccccc2)c1 746259246 MJFNOEMHPGUUCM-KRWDZBQOSA-N 435.444 0.824 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 746550551 OVWSZHJXXUUQAR-CQSZACIVSA-N 435.440 0.849 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCN1c1ncccn1 747413282 MLLJEYWUCGUEJV-INIZCTEOSA-N 432.506 0.610 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 748625846 OOJQVPUXTAAPJC-CQSZACIVSA-N 430.527 0.597 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 748697396 GOWPBJIHMUCZPG-UHFFFAOYSA-N 445.520 0.601 50 20 ICGD O=C(NNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 751363417 VOXHJROACJYNHK-YOEHRIQHSA-N 448.467 0.959 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(OC)cc2)cc1 755552359 ZYBWVRKQKILXCU-UHFFFAOYSA-N 430.417 0.830 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 756856383 OYAPJKDYDWIIGW-AAEUAGOBSA-N 429.499 0.324 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(N)=O)nn3)CC2)cc1 757406451 BERHFIRGPUTQBC-UHFFFAOYSA-N 448.505 0.518 50 20 ICGD C[C@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1 758803260 JHNWBSNPBXKXEU-RDJZCZTQSA-N 426.477 0.640 50 20 ICGD O=C(CNC(=O)c1ccc(Br)o1)NNc1nccc(N2CCOCC2)n1 762856555 UXIGQKYNJALMEI-UHFFFAOYSA-N 425.243 0.542 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 763206671 TWZWGHSQWCDHCA-UHFFFAOYSA-N 432.749 0.865 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814391 SRDOJBMNTQLEAT-UHFFFAOYSA-N 445.457 0.485 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 763916676 JDXNKLIPRDGRKL-UHFFFAOYSA-N 435.322 0.803 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)CC1 763998052 FCUFVDDERLAJDT-UHFFFAOYSA-N 447.517 0.845 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccccc1 764309563 QIPMDPOVTOAWBG-OAHLLOKOSA-N 436.468 0.956 50 20 ICGD Cc1csc([C@](O)(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C(F)(F)F)n1 764344772 JJEZXZCIPYYWKP-OAHLLOKOSA-N 431.396 0.564 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)C(=O)Nc1ccccc1CN1CCNC1=O 764379684 HMZRVZHMCPKORG-UHFFFAOYSA-N 447.398 0.970 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 764400397 PSMFMWMWFZHKPF-HRCADAONSA-N 436.509 0.433 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C(=O)NC)c1 766276939 RICKFGUQKCBODU-HZPDHXFCSA-N 439.538 0.576 50 20 ICGD COC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 777624423 RFJRLJCPESKUDQ-UHFFFAOYSA-N 434.478 0.881 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 777753713 YTHOOGXPFUNRGU-CQSZACIVSA-N 441.410 0.805 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2 782897682 SERAQIVOYOHOCS-UHFFFAOYSA-N 431.474 0.623 50 20 ICGD Cc1cc(C)cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 783355912 CGICJAKLPWRMDH-UHFFFAOYSA-N 445.501 0.506 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1Cl 784003129 AFKLIEABLQVJFX-UHFFFAOYSA-N 440.865 0.935 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cccc1N1CCNC1=O 787541064 KSFBOHQMRDVOBI-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788330789 LPCAOHVADUUMKJ-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 792264945 ZNURMPRLMDVIBL-UHFFFAOYSA-N 448.439 0.944 50 20 ICGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 797791306 DDYQXJFHGQKGDX-AREMUKBSSA-N 429.907 0.729 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815571092 UKSWOWHKBKMTJG-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CCc2nncn2C1 815827586 GTUSNRVLZVBGCI-INIZCTEOSA-N 431.928 0.459 50 20 ICGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816829709 BHPJELGZJXEZDE-DLBZAZTESA-N 430.486 0.438 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2ncccn2)c1 913044336 OPUWNNJWDYIPMO-UHFFFAOYSA-N 430.284 0.921 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 915884056 QFUMOPZZHJILGZ-UHFFFAOYSA-N 436.490 0.928 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1ccccc1CN1C(=O)CNC1=O 920930932 VYGCQTHPFMCHHO-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(N3CCOCC3)nc2)c1 1317910293 FRMZLCCZXGEIPT-UHFFFAOYSA-N 433.490 0.466 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1320640104 KOQNOJNOKKXMJQ-SJKOYZFVSA-N 429.520 0.551 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1346263403 LAMHGOMEIFSVTO-UHFFFAOYSA-N 441.492 0.348 50 20 ICGD CN1CCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1777918645 HSTSXTWOTDLBQP-DEOSSOPVSA-N 449.316 0.116 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779598429 MOXAAFLUWNRZAL-GHTZIAJQSA-N 432.908 0.975 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781482269 GLLPBSFPDXFSOT-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD CCC(=O)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783090202 UYAWBQLMGJJGEK-JOCHJYFZSA-N 445.520 0.142 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784417904 IUYXAAGVIYVAFJ-IIBYNOLFSA-N 449.577 0.765 50 20 ICGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786859535 NCARTDBANQTIEG-XDQVBPFNSA-N 433.322 0.938 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1788757458 KXQDIFJELGJUHF-YTFOTSKYSA-N 430.343 0.830 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791057424 UWBRAJVGGFVKBH-MNXVOIDGSA-N 428.283 0.462 50 20 ICGD CC(=O)N[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1791288327 MCBKIWVLVYFLMC-ZDUSSCGKSA-N 438.488 0.957 50 20 ICGD CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)n[nH]1 1792870402 NMFQUDGBGIVVRR-ADGXKJENSA-N 427.299 0.847 50 20 ICGD COc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793151910 MGLGLNBNTLICMA-FEJSZKPUSA-N 446.548 0.590 50 20 ICGD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1794269205 FIMMQUFUGNHZRN-PKCZLINISA-N 429.246 0.074 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C)c1F 1794476068 IMUCGZUTCSHQNC-OQLCOEBBSA-N 445.455 0.194 50 20 ICGD C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097509 NQGSUMFHRGBHPL-RMFSNUHRSA-N 429.521 0.498 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)c(F)c1 1799477166 PGKSBHQSYZAWHK-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(F)c1Cl 1799574561 NPNPUGOVWWTMDJ-HBCWATKFSA-N 446.671 0.676 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC12CCCN1CCC2 1800001767 PURQEWZVKOPWJE-BJWYYQGGSA-N 440.548 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1803304360 GJRDEPVUHMGODP-VGSWGCGISA-N 439.520 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804123846 PQOZGFJLSLUFLE-VKJFTORMSA-N 435.912 0.949 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@@H]1c1cccnc1)C(=O)O 1806340625 IFYSVVJEKREUQW-CPUCHLNUSA-N 441.326 0.935 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1)C(=O)O 1807207501 ZEYWVIMWHCNOPQ-NEBZKDRISA-N 445.289 0.841 50 20 ICGD CN(C)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299003 NBEKVGIZQLVWND-JXFKEZNVSA-N 439.520 0.351 50 20 ICGD Cc1cnn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815340386 LYUFQQRNPSBVBW-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817264120 HGBRBMDUPFXBGY-SOVGHPHASA-N 427.314 0.769 50 20 ICGD Nc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)s1 1817413715 RQZWOPILEITISF-CQSZACIVSA-N 440.294 0.748 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820854470 OQRDDBJHDYXFQX-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3C)sc2C1 1823054669 LCVPZDVLLVZBPX-YPMHNXCESA-N 436.538 0.049 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053101 VRDKATFLQXIPKE-IIBYNOLFSA-N 443.353 0.467 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722414 BBZNMVCOHIRHNK-APWZRJJASA-N 432.851 0.563 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732661 VAYZYMPHVNETBL-FZKQIMNGSA-N 448.303 0.413 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)C1 1833306117 YOYPKMVQXBHINB-HDMKZQKVSA-N 443.972 0.747 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310816 UESSPQIVUWTBRG-CQSZACIVSA-N 429.974 0.819 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C1(O)CCC1 1834820052 LMKRTIMVWAFKJW-PBHICJAKSA-N 433.343 0.779 50 20 ICGD O=C(CCOc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834827177 ILIGSUIGDWZYSS-XLIONFOSSA-N 426.897 0.512 50 20 ICGD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1836717931 FPHDUVCRLNILIN-INIZCTEOSA-N 428.917 0.641 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034076 ZUKIWZVVELQGAD-MLTMRYFHSA-N 439.372 0.385 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840034466 MGAHTCLYFWEKDW-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840149112 DTKQBYQETVNWDZ-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cn1 1840151016 UZJVTBAICKXKKY-IFXJQAMLSA-N 442.900 0.199 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326669 QSWFGRRUIFXUBZ-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc3ncnn3c2)C1 1844139629 ZASQPVMQUZCJGY-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc2)cc1 15737396 JGRZUCFSUNPXPI-KRWDZBQOSA-N 446.485 0.926 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccn1 17329292 LHZKDLLPADYRQS-HNNXBMFYSA-N 438.893 0.729 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC 104545936 BGTUTIIYIJWZRB-UHFFFAOYSA-N 441.396 0.304 50 20 ICGD CC(=O)NC1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 726276792 ZZIQOCVLPDWWPS-UHFFFAOYSA-N 439.538 0.393 50 20 ICGD CS(=O)(=O)NCCNC(=S)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 727065991 IRVBSUGXLBRHKL-UHFFFAOYSA-N 447.542 0.649 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728323407 FQJGNMSHJFAVGR-BBRMVZONSA-N 433.461 0.554 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1-n1cnnn1 728845450 HYEVPOYATWDLDF-UHFFFAOYSA-N 427.856 0.783 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 729450709 MNWROSPMEFWKLR-UHFFFAOYSA-N 432.458 0.716 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 729455982 KLNCVPUWDQNNSP-YPMHNXCESA-N 436.494 0.745 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)COc2ccccc2O)n2nnnc2C)c1 730780252 RTAWTFVPXVJNRQ-MRXNPFEDSA-N 426.433 0.706 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2)nnn1-c1ccc2c(c1)OCCO2 731526713 UXMNUZHBTYERKM-UHFFFAOYSA-N 437.412 0.965 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1 732264584 VNNMEADLBJTBPB-QWRGUYRKSA-N 438.959 0.327 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 732549464 XCLSLQVWWIEERD-UHFFFAOYSA-N 443.526 0.590 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 733359189 GBHSBXMLIVIZLQ-UHFFFAOYSA-N 448.501 0.971 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 733755349 WTBFXTVKQNZMGI-MAUKXSAKSA-N 449.423 0.751 50 20 ICGD O=C(COC(=O)c1ccnc(N2CCCCC2)n1)NNC(=O)c1cccc([N+](=O)[O-])c1 740311362 OFGIEKQMMVVPCX-UHFFFAOYSA-N 428.405 0.993 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1C 741646412 IKZAKNRICVSETM-UHFFFAOYSA-N 428.540 0.745 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(Br)s1 742480225 LXVAGJOOPJNVBO-QEJJIEOJSA-N 442.291 0.824 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc(Br)c2)CC1 743599170 NCLRRTGCBYFPBI-UHFFFAOYSA-N 440.298 0.474 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 743734328 ODTZXWWTTFCNFH-UHFFFAOYSA-N 438.466 0.591 50 20 ICGD CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 753122291 XPFFIOWNYTXRIC-YBKRRLQSSA-N 438.535 0.241 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 755055042 GQLMKYFDJLAXIW-CYBMUJFWSA-N 447.473 0.720 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cccc(Br)c1 755414038 SAAMXTUHRZCVGH-VIFPVBQESA-N 430.284 0.311 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3ccccc3O)c2)CC1 756212005 HKNWTMXRVPSBNA-UHFFFAOYSA-N 433.490 0.795 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)=NO2 760078932 IGURQXKBJOFSOI-LBPRGKRZSA-N 444.510 0.115 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)nc21 760868737 SOBAPYSCBMBNIS-GFCCVEGCSA-N 448.484 0.418 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 762360974 IWSFWWZUYJBTSG-NSHDSACASA-N 427.508 0.035 50 20 ICGD CC(C)(C)OC(=O)N1CC(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 762574421 CJFGNPYYNDFSSO-UHFFFAOYSA-N 433.513 0.890 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cn1 763819943 BOIBUFUCESGEBD-UHFFFAOYSA-N 431.449 0.655 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)c(O)c1 764108159 DJVWPWDNLBJZQG-UHFFFAOYSA-N 446.485 0.949 50 20 ICGD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764232923 UCQWMJMHNBNDFZ-GFCCVEGCSA-N 428.511 0.415 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 764259481 IJHRRBGCNFVARX-UHFFFAOYSA-N 440.460 0.574 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 764405263 RBEKWGUXNNRALW-UHFFFAOYSA-N 443.485 0.796 50 20 ICGD CCCCO[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635895 INMPPYSPWQXPLH-KRWDZBQOSA-N 440.566 0.654 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)cc1C 767496806 WIWQGIOCZZOQQG-GFCCVEGCSA-N 446.547 0.905 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 770123103 BRKAEBJMYGIWND-UHFFFAOYSA-N 426.520 0.835 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770455810 VJZHAZVUEDYFGU-OAHLLOKOSA-N 437.522 0.531 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 773525250 OAHLLAVVQJHRAX-UHFFFAOYSA-N 430.299 0.512 50 20 ICGD C[C@@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc2N1S(C)(=O)=O 778445319 IFVBIVKSRVCQGY-LLVKDONJSA-N 426.495 0.683 50 20 ICGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)n1 778711964 YUOVUBYFKZLLMR-VIFPVBQESA-N 440.254 0.958 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cc(C(N)=O)co2)c1 779669813 JOHLPAQFBXYEBJ-UHFFFAOYSA-N 437.478 0.553 50 20 ICGD O=C(NNc1ncncc1Cl)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 782166007 MPNMXUAQGSGVAG-UHFFFAOYSA-N 428.833 0.792 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CCCCS1(=O)=O 784172226 PGJYDCQAUXWJJP-GFCCVEGCSA-N 431.540 0.199 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 784385138 GOVOEHHWPIFINN-GJZGRUSLSA-N 446.416 0.464 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)C[C@@H](C)O1 784766068 XKOGIOWYHAWKTC-OKILXGFUSA-N 426.477 0.447 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1Cl 785115872 UZJABWCOWSKNSV-UHFFFAOYSA-N 432.824 0.376 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccn3c(I)cnc23)CC1 788167236 ZIZZTTRSNVOGNT-UHFFFAOYSA-N 428.234 0.541 50 20 ICGD CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793042434 ODUCKBYACKYJJG-GJZGRUSLSA-N 426.495 0.599 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 793147824 CYZMUQPFKVXPRC-QGZVFWFLSA-N 440.460 0.834 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCc2nncn2C1 793446674 HSCCZIGBYRFEJJ-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 797680558 KGRZZOZEKAVZPL-UHFFFAOYSA-N 434.474 0.990 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 799258564 GGASYLLXZZTSFK-UHFFFAOYSA-N 434.250 0.924 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ncc(Cl)n3C)CC2)cc1 799482922 IGVPRPDFTMNCLY-UHFFFAOYSA-N 438.941 0.839 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)n1 810385826 AVIWGAUBSBYCFH-UHFFFAOYSA-N 438.391 0.029 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(C)c1S(=O)(=O)NC1CC1 814646416 HYCVPYBEJAKTKC-ZDUSSCGKSA-N 447.521 0.751 50 20 ICGD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2C1 815778524 VXUPEAAHTFQYIJ-OAHLLOKOSA-N 433.465 0.640 50 20 ICGD COCCN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 816562782 YPZXVDAVPLYLQD-UHFFFAOYSA-N 426.539 0.218 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNc1nc[nH]n1 816632119 UMOQNMJKOFOORL-UHFFFAOYSA-N 441.901 0.215 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2)s1 849193398 RNXCLIQIFDTJFS-HUUCEWRRSA-N 449.620 0.950 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)[C@H]1COc2ccccc2O1 849207654 OINYTHYAJGKWTF-SUMWQHHRSA-N 443.412 0.159 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 913584106 MTHWWWOPLGNFLU-UHFFFAOYSA-N 429.458 0.692 50 20 ICGD O=C(Cn1cnc2ccccc21)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 915188455 NZQAPPZWQQIWJF-UHFFFAOYSA-N 442.501 0.680 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(N)(=O)=O 915594421 ORXGOLYNLSFQAX-CQSZACIVSA-N 439.421 0.012 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(CS(=O)(=O)c2ccccc2)c1 916041997 VKNZAYOJXKSXTN-INIZCTEOSA-N 436.511 0.856 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 916389774 DNMHWNARWSAPBN-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD CCOC(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918001589 CCSOCGTZCUXHGD-LBPRGKRZSA-N 426.499 0.545 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(O)c1 918340712 BMYFMMGNANBBGL-UHFFFAOYSA-N 435.458 0.601 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1 919963829 JEITWDOWPVRNMS-UHFFFAOYSA-N 439.444 0.757 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)NC3CC3)CC2=O)cc1 920766770 POZRVHJXZQMESS-ZDUSSCGKSA-N 437.522 0.563 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778557763 KQFIPCWQRXTUMQ-YVEFUNNKSA-N 427.299 0.893 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891379 CUZQRBYFPOMPMI-YGRLFVJLSA-N 445.232 0.953 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1779031435 SEDKGKPSHPIXTN-LJQANCHMSA-N 430.490 0.207 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372713 ZEGOGUALINEQGP-DYESRHJHSA-N 441.492 0.158 50 20 ICGD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780087787 XYHCRYPJYQTMNN-BEFAXECRSA-N 439.852 0.573 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1OC 1780657886 DNBRHHSABBFYLC-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD CCOCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969893 LRCZYZHQHKJVOW-JOCHJYFZSA-N 447.536 0.199 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1782171964 IHAIGPMUJOOWLR-ATNYBXOESA-N 438.974 0.435 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782369448 AALBWBSLVPBFQD-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1783533821 JUEVPEQKCALNMT-YVEFUNNKSA-N 427.299 0.893 50 20 ICGD COc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783770195 UDHXIIXDOGPREW-AFIMGQEJSA-N 426.897 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccnc1Cl)CCO2 1783933564 QDJFRIAIGVXHIL-HXUWFJFHSA-N 437.928 0.480 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1783934667 JYPFCTKWWKXTPS-MRXNPFEDSA-N 431.331 0.117 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1784064372 AJDXOBZZDFQHSA-DOPJRALCSA-N 425.848 0.053 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784104303 PWPRVJBVYLUAEW-ZJSXRUAMSA-N 434.301 0.540 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1784454052 XKQMTKMJSJNWBU-QCQGSNGOSA-N 429.366 0.637 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cscn3)[C@H]2C1 1786087491 QOIGOYVTGZYVFK-JHUKZBBPSA-N 444.517 0.870 50 20 ICGD Cn1nncc1C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789521270 RDNURXSPOPUZHX-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1793446450 CQYVDEVAQWFBHI-XQZGEAEESA-N 430.958 0.786 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CCC1)C2)c1ccc(B(O)O)cc1 1795734729 MTYRNDNBHDFFJG-MIFYACCESA-N 440.227 0.302 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796893842 ZAHHVIFIHLHFGV-JWBKOJIWSA-N 447.565 0.243 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 1797750568 IVROPVPFQNSECD-CWPLJXCYSA-N 448.483 0.683 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(C)c1 1799025262 IMLFQLDLZCINKV-VPTLXERWSA-N 432.521 0.580 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2)[C@@H](F)Br 1799349521 HTQIMXCONUXPLL-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1799519555 LJWPWABWWAPSHM-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1800976999 NPXSAZFBMJJEET-DFGXFYAUSA-N 433.896 0.724 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ncccc12)c1ccc(B(O)O)cc1 1800998668 ZTRBXOGRALRLBR-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802334499 LVEOFSWLHWLRIX-JONQDZQNSA-N 439.557 0.911 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1csnn1 1803748944 RJTBZIMGJKROMN-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(F)cn1 1805980703 WNRHKYAIVUSLSA-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807330307 WIRWXLRIKJJHDG-AVRDEDQJSA-N 432.569 0.849 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360421 KOCUELFIZDMZDU-KXBFYZLASA-N 436.233 0.088 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807366053 XLRRXEKWHGNDJL-AVRDEDQJSA-N 447.304 0.057 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376638 VLZILIGEWLHHLZ-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnn4c3CCC4)CC2)C1 1809980852 YFJIYFKQWMMKGQ-UHFFFAOYSA-N 436.321 0.668 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1 1810294476 LMFYNVHKHYKMJO-YHRBYZFPSA-N 438.488 0.171 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1810420245 HVWQXGPUFAHWBS-PGRDOPGGSA-N 447.304 0.355 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cccc(O)n1 1816458288 YECVPIYMPIXCDR-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CCn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473522 YZTGHWMDBULVAI-KRWDZBQOSA-N 436.281 0.926 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)no1 1819923817 CJZYRSCTVHEJCR-BXKDBHETSA-N 441.897 0.381 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cn[nH]c2)CC1 1825185318 MBMGYYQZJPGGGI-NRFANRHFSA-N 438.337 0.956 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cccn1 1826866849 ZWRQUHBHCPVVPS-CHWSQXEVSA-N 433.538 0.886 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831453007 YCCXKFTXIHJHTJ-RDTXWAMCSA-N 438.974 0.389 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833041092 QCJOWTZDQIKPHR-APWZRJJASA-N 428.917 0.210 50 20 ICGD CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833146770 QZJRIQFZDHNWDY-UHFFFAOYSA-N 426.326 0.101 50 20 ICGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1833456543 ZMNNUUDNRIBFPR-UHFFFAOYSA-N 428.382 0.796 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccns1 1834050354 SDYMCQHDQMBKCD-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823150 LGPNZGGPCDMINF-KDOFPFPSSA-N 448.358 0.533 50 20 ICGD O=C(C1=CCCS1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836897935 PYFLTJFCOQNAMP-UHFFFAOYSA-N 444.362 0.999 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836919601 MSFSYRRZJKFHFS-INIZCTEOSA-N 442.944 0.944 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315853 PKIZJEBBYXVSSU-BLLLJJGKSA-N 444.834 0.956 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837641598 UGYXQEKIOWWELH-WMLDXEAASA-N 444.330 0.156 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cccn1 1838789095 HUBDLGLPAJGIKF-KRWDZBQOSA-N 448.568 0.816 50 20 ICGD O=C(c1ccc(CO)o1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199963 BAULBBDPCHWIEL-CJNGLKHVSA-N 435.246 0.532 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(Cl)c1 1839422589 CRTFWITZEKPREO-LPHOPBHVSA-N 442.299 0.881 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839964484 SQBCWRFUYLFHCS-YJBOKZPZSA-N 443.342 0.593 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840030866 YYFCVDYVDNUSQS-BZNIZROVSA-N 429.271 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1840151699 LKXUCYRKPIIRIF-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840152362 GKXLGJACIFVLDP-YWZLYKJASA-N 436.896 0.658 50 20 ICGD O=C(CCN1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840940621 UIKNXRPVWUHJSJ-DOTOQJQBSA-N 436.322 0.619 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350872 DGDZROKGKQXQDQ-UONOGXRCSA-N 431.917 0.425 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2C[C@H]3C[C@H]3C2)C1 1844189170 MXLLXKNKJDAFML-QBTQTZHHSA-N 426.521 0.664 50 20 ICGD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1[N+](=O)[O-] 1845205134 UXNOPYJFZDOXNC-UHFFFAOYSA-N 437.261 0.643 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)cc1 1847564198 UDGYTPYVEPKGDU-YESZJQIVSA-N 428.938 0.824 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9930698 HYBLMCINHFTPGA-GFCCVEGCSA-N 431.426 0.272 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cnc3sccc3c2=O)c1 14057534 DXXSRUYZYPFNDS-UHFFFAOYSA-N 449.514 0.560 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)CNC(=O)c1cccs1 725740091 RGUBFOKWMWSGAY-ZETOZRRWSA-N 425.536 0.351 50 20 ICGD O=C(COC(=O)C1CCN(c2cnccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 728322515 CATJUGHQSAUYFA-QGZVFWFLSA-N 441.444 0.224 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1CCS(=O)(=O)C1 728380720 RCKFOTFBLISTOZ-MIUNTBIASA-N 441.506 0.298 50 20 ICGD CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728957236 OIGVTTBIDJLFRD-UHFFFAOYSA-N 438.554 0.492 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 741385861 JBVIJENSKRCIAS-MRXNPFEDSA-N 432.502 0.586 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c2ccccc2c1=O 743249803 OSEMMFTUZKFEAL-UHFFFAOYSA-N 433.446 0.545 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744538610 QGBISULDEAQRSC-ZDLGFXPLSA-N 449.402 0.995 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746239810 JJIGBWNNPMRKLT-GFCCVEGCSA-N 432.458 0.157 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 748625270 LOZRNHWICPJBKA-ZDUSSCGKSA-N 430.527 0.645 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C 750662616 YBMMNAWTJZUJJB-UHFFFAOYSA-N 425.467 0.120 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4c(c3)nnn4C)cc2)CC1 755573032 NLLUQPNLDFFHFO-UHFFFAOYSA-N 430.494 0.056 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3ccc(C#N)cc3)c2)CC1 756213434 VPDOXVZPSQNLQI-UHFFFAOYSA-N 442.501 0.961 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3F)cn2)C[C@@H](C)O1 756838082 LFNZRRWFHHJDRF-OKILXGFUSA-N 448.455 0.890 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1=O 757782183 ZLEPMGVPXNYWAQ-UHFFFAOYSA-N 444.473 0.545 50 20 ICGD O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758528889 ZEAYYUQTWHCOBR-IUCAKERBSA-N 436.250 0.270 50 20 ICGD Cc1c(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)nnn1-c1ccccc1 758535623 PPKXBPSDRHPACT-UHFFFAOYSA-N 442.339 0.945 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H](Cc1ccccc1)CN1CCOCC1 758763383 IOXUMXXYQOFPDA-KRWDZBQOSA-N 426.477 0.294 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1S(=O)(=O)N1CCCCC1 758824609 YRYMLDDTRCYICK-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758829263 COGWXVMTHJAKHM-OAHLLOKOSA-N 430.440 0.975 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 760086870 FVVNAQAASYTLNP-HNNXBMFYSA-N 430.486 0.733 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)[C@H]2CCNC2=O)cc1 760103027 AWLVNNWYQBHXSK-OTMARIDSSA-N 436.472 0.688 50 20 ICGD O=C(NNc1ncc(F)cn1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 760905031 ICJRRUDDEVPYPB-UHFFFAOYSA-N 448.436 0.647 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)NCc1ccco1 762064078 OSBAVQWHBWFXSY-UHFFFAOYSA-N 437.522 0.962 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1 763601834 IVLNBKKMTSPGBI-GFCCVEGCSA-N 444.444 0.978 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679957 AXETXESPVITALN-UHFFFAOYSA-N 425.401 0.579 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 763829843 GVINRBFCQYRKHU-UHFFFAOYSA-N 448.501 0.908 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 763837561 IQXWNADIDLJFKS-UHFFFAOYSA-N 444.463 0.865 50 20 ICGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1C#N 763880552 HPBUHYVXSFAERV-UHFFFAOYSA-N 427.421 0.726 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764401146 MCOXCQLRXZQZOI-UHFFFAOYSA-N 437.499 0.982 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764402116 XZMJGZJUOSQPQW-UHFFFAOYSA-N 441.473 0.944 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 764548331 TYLFZFWSKLPALK-CYBMUJFWSA-N 440.485 0.502 50 20 ICGD CC(C)[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 765727808 NMUPOEXXWDSEBK-HNNXBMFYSA-N 426.477 0.411 50 20 ICGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662671 AKZQIQDYVDMYES-UHFFFAOYSA-N 430.958 0.428 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 767034934 ZTACNSGYBCCIAC-RYUDHWBXSA-N 445.401 0.457 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)CCc1ccccc1O 767964879 SIXYYSCZSIKEHF-UHFFFAOYSA-N 426.477 0.391 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2cnc3ccccc32)cc1OC 768397589 VTCWUJWAZICJDA-UHFFFAOYSA-N 447.473 0.179 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cnn1-c1ccccn1 771608517 UCDXDYIWQAOZIZ-UHFFFAOYSA-N 448.892 0.855 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 772045177 CEGRVYLZPPSQGV-GFCCVEGCSA-N 446.551 0.491 50 20 ICGD CC(=O)Nc1cncc(C(=O)NN=C(C)c2ccc(S(=O)(=O)NCCC(=O)O)cc2)c1 772848149 JKDYOAGJTAIBBX-UHFFFAOYSA-N 447.473 0.947 50 20 ICGD COc1cc(C(=O)CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 776973440 PPUMTNMYEOHYJO-LBPRGKRZSA-N 443.478 0.193 50 20 ICGD COC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 777597156 OVNMLVXFHICLSE-UHFFFAOYSA-N 441.491 0.781 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 778448414 WLPNUSHDWCQUQC-XQQFMLRXSA-N 442.538 0.565 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 778499640 FKXTYGRORIASKY-UHFFFAOYSA-N 442.432 0.928 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc21 778706085 LYVHWSZMQYOELQ-UHFFFAOYSA-N 440.412 0.351 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ccc(Cl)nn3)cc2)CC1 784792777 WITJNYZGSSIRLT-UHFFFAOYSA-N 445.911 0.918 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 789731440 HTEWKCDIARROIO-WDEREUQCSA-N 428.536 0.569 50 20 ICGD CC(C)CC(=O)NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 789852502 GKKNOTFANVFWBS-UHFFFAOYSA-N 436.490 0.768 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 797003316 BPBXQXXLTIZFFZ-UHFFFAOYSA-N 429.433 0.723 50 20 ICGD Cn1nnc2c(C(=O)NNC(=O)CN3CCN(Cc4ccccc4Cl)CC3)ccnc21 801164776 AWPPKVKDRDUAAO-UHFFFAOYSA-N 442.911 0.596 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 801918354 KCSYAZUWAZOSLU-SECBINFHSA-N 437.881 0.406 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 805845382 TZIYARRWGJCDQW-CYBMUJFWSA-N 438.428 0.297 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCS(=O)(=O)C1 821135175 MGQZPLCHZCQEHM-ZCFIWIBFSA-N 432.263 0.646 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc2Cl)C[C@@H](C)O1 864234787 VZDTZSOVBAIJBN-YRGRVCCFSA-N 430.719 0.827 50 20 ICGD O=C1Nc2cc(O)ccc2C1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915939874 XFBXPRBPVVPIMV-UHFFFAOYSA-N 430.442 0.499 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCC(=O)N1CCOCC1 916251350 HCLIILBQIWPARF-LBPRGKRZSA-N 443.298 0.796 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)NC(C)(C)C)nc1 916622554 ZTAYQJADOBPUPI-UHFFFAOYSA-N 436.560 0.112 50 20 ICGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 917919500 PUSHMQKIJDVXEV-LBPRGKRZSA-N 430.914 0.787 50 20 ICGD O=C(NCc1ccco1)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 920889869 OVNVEFMCDSZZPS-UHFFFAOYSA-N 426.426 0.584 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 1343522444 ZJUZWJRSRCCCLL-UHFFFAOYSA-N 437.474 0.842 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 1357620780 QCOLDKAEDUCJCH-LBPRGKRZSA-N 425.438 0.325 50 20 ICGD COc1ccsc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779846657 XAMWGQXYAAJBLW-FQEVSTJZSA-N 445.501 0.513 50 20 ICGD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Cl)C3)cn2[nH]cnc(=O)c12 1780018554 FCLCDHLHAYQQFZ-FRIZHTMISA-N 439.875 0.993 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780828562 KZSMEFXTFAGXQP-XMSQKQJNSA-N 448.568 0.456 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781048605 VWJSVGIBVKGMAX-SZYHELCZSA-N 446.454 0.424 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210839 QRFCOGLLRPCJNT-JLTOFOAXSA-N 436.513 0.066 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@]1(C)CC1(F)F)C2 1782213959 ICUOBTTVELLRFI-MDASCCDHSA-N 430.496 0.919 50 20 ICGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1782461301 RKQMHOWTJNLXRA-DENIHFKCSA-N 441.293 0.033 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783808242 UIBBEYTYVPTKRI-DPLHUUCSSA-N 434.301 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccccc3n1)CCO2 1783934789 MFRSGKHYEKBTST-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945402 MKPWHTSKAWEKED-RYFGYPJOSA-N 430.292 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785697270 OBVZWXNFJQOQAF-PMACEKPBSA-N 428.480 0.935 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787437060 RDLCEQDGGUGMSZ-BLFANLJRSA-N 443.298 0.512 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4ccnc34)[C@H]2C1 1788368959 UWXZQOMVLYDNGM-SZMVWBNQSA-N 442.520 0.301 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(Cl)n3)C[C@@H]21 1788611483 DRTCIYMVDYJHJX-XEGUGMAKSA-N 448.867 0.234 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788629132 HVRJASKZCVIZFR-MJDBTJCESA-N 444.305 0.947 50 20 ICGD Cc1csc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794083672 NCNXLPIWARAUQG-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794269459 ZCBFNRZFYUIHEJ-IMEWIIRVSA-N 429.304 0.620 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2)c1cccc(B(O)O)c1 1795737523 QXTNMTYRZJSSAL-OPMZPASUSA-N 438.289 0.039 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137186 YSIVAHRAQTUBDH-BTABJRDXSA-N 428.283 0.727 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796272744 LAFZDUJKJJMBDU-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cc[nH]c2c1 1796818424 NIZXUQPEUITXJG-CWPLJXCYSA-N 448.483 0.683 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccn2n1 1797351598 URZBZWMIRJCPLB-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD CCc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749743 MPTHCNNJMWRNSK-HBCWATKFSA-N 438.488 0.160 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2O1 1797826573 VBDCDCWQBCKGIV-QOIOWGMHSA-N 435.484 0.941 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800135039 NHVRNRQQKHHJPD-DYNIEEOBSA-N 440.273 0.855 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012786 XZXQFVBZPRKENZ-RMFSNUHRSA-N 427.505 0.443 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803073221 LZQZTZMLDDAJBS-YSIASYRMSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1)[C@@H](O)CCl 1803146940 RSHYYNLVFAMTQD-OBJOEFQTSA-N 436.818 0.366 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1807117043 CFBXJAVOVLOOCH-CFVMTHIKSA-N 441.305 0.618 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369090 AFBDJHSSZYGBKW-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)n1 1816319049 SGFQAXPWCKCOKB-CQSZACIVSA-N 438.452 0.156 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)O1 1817476301 OWHDJIORPWPASD-JEBQAFNWSA-N 426.282 0.963 50 20 ICGD Cn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n1 1819795366 LXLGBOQHSMDDFC-SNVBAGLBSA-N 440.489 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCS(C)(=O)=O)[nH]n1 1822417114 AEOWTICQAIXCHO-AWEZNQCLSA-N 442.542 0.210 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 1826088969 RFJZUGMSNNNFJZ-SNVBAGLBSA-N 449.493 0.978 50 20 ICGD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)nn1C 1827051387 WOVNJUSDPYEZDE-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829545960 JDZJJHZZMADFDM-SCLBCKFNSA-N 432.926 0.817 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830541107 XWVQCZWLVDTCJW-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)CC1 1830543863 GHHHBYCOQNLZON-SUMWQHHRSA-N 447.326 0.427 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830725199 HEYMKIRLEYYMPV-DYESRHJHSA-N 440.924 0.602 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831876340 JSLCCYDJHOSUKZ-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1)[C@@H](O)CCl 1833311775 DQKQBVWVUWFAQP-SFHVURJKSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833365811 HBARFRPXTDATEI-PXNSSMCTSA-N 440.928 0.471 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834598191 ZZVKBEBSOGWAAK-SJKOYZFVSA-N 429.267 0.493 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1=O 1834818690 BWVZWTPRJKZPIK-SFHVURJKSA-N 442.310 0.240 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836895549 IGLLFTGNVYLGES-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528371 TXQSKESIPRXXCV-HXUWFJFHSA-N 431.401 0.223 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1840368378 MVKZRVBFXNROPD-LJQANCHMSA-N 425.558 0.833 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)CCBr)C1 1842637916 XITDLGDUFNDTKK-UHFFFAOYSA-N 431.312 0.440 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012555 AGRVKBSYKIAELQ-UHFFFAOYSA-N 431.298 0.098 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2 1844263428 DWBPUPQAEXLRQL-IBGZPJMESA-N 448.483 0.695 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844499610 RYSYHDHIIOJPGF-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1846361419 SIDKPTUYHZQCKY-OAHLLOKOSA-N 449.939 0.479 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9931444 MUTBFGUGKDUIIO-AWEZNQCLSA-N 437.499 0.683 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 26962882 WSGQDKQXGKWVPT-UHFFFAOYSA-N 448.457 0.455 50 20 ICGD O=C(NNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)C(=O)NC1CC1 109759938 NCINXPMKYLFLQB-UHFFFAOYSA-N 433.266 0.947 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 725872111 NMMIKWIYDYPDEI-UHFFFAOYSA-N 429.380 0.864 50 20 ICGD O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1 725950710 GAXRFJVTKMRXEO-IAGOWNOFSA-N 429.404 0.406 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc(OC)c1OC 726496790 KOOULAIGPHTIIU-NSHDSACASA-N 434.449 0.727 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 726612942 ALRWCGJGHCXZPL-GFCCVEGCSA-N 446.913 0.083 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216253 VWHZCJNGPVGYPH-UHFFFAOYSA-N 435.506 0.397 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)cc1 728954506 GWCYQWUIQMOIQA-UHFFFAOYSA-N 443.485 0.928 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 729275073 KGROMPVXCVSCEB-LBPRGKRZSA-N 446.485 0.301 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2ccc(OC)c(Br)c2)CC1 732239368 YCAQMPXQWYZBEY-UHFFFAOYSA-N 442.314 0.612 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1 734240374 POPKAAYAWCBTFH-UHFFFAOYSA-N 435.547 0.340 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 740886026 ALGBLAXWRNBXQR-UHFFFAOYSA-N 446.489 0.508 50 20 ICGD CN(C)c1ccc(N2CCC(=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)CC2)cc1 741458426 LYERPXXYQRGGHA-UHFFFAOYSA-N 445.549 0.410 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617766 AJQATMNDERRXDW-LMSBXDPUSA-N 448.501 0.123 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 744400874 PGANSBUWUSOPPJ-UHFFFAOYSA-N 445.487 0.113 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095894 HCMKSPNIFONXIE-ZYJYGNLPSA-N 439.472 0.297 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 746096926 REPJRTFGKFGYCB-UHFFFAOYSA-N 449.471 0.931 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 746365298 TYRFKMYGDLWQBE-UHFFFAOYSA-N 440.499 0.724 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 747616141 KIXUKIMAEOAASP-UHFFFAOYSA-N 436.284 0.762 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NNC(=O)C(=O)N1CCCC1 748460185 LXFLQYNWWMJMNB-UHFFFAOYSA-N 443.426 0.995 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)NNC(=O)c1cccs1 749296704 UXBZPRKIYAAAGV-LLVKDONJSA-N 443.528 0.967 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 754183582 SHFIOYAXTZEECS-UHFFFAOYSA-N 429.476 0.643 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2cc(I)cn2)cc1OC 763389366 CSICLPPLCPCHGM-UHFFFAOYSA-N 430.202 0.966 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763446639 VHARFDREYDPASV-UHFFFAOYSA-N 436.384 0.651 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763570384 DWAXWCKAMHDRBE-QGZVFWFLSA-N 449.423 0.269 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3OC)cc21 763656456 BTVOULLDLLRYBC-UHFFFAOYSA-N 441.444 0.856 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1 763660375 BBFXMEAEMTVUHQ-UHFFFAOYSA-N 442.350 0.584 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 763680553 GQGVZFWVMVHZFC-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1-n1cnnn1 763695959 ZLIHURYBOAKVOJ-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763865120 IPDIEXDRYSXOPS-YVEFUNNKSA-N 445.403 0.708 50 20 ICGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763922335 VGSORKFJJIPDTF-UHFFFAOYSA-N 434.416 0.721 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)ccc1C 764125366 VRPZRLYVWAMWIU-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 764509412 RUJJMPFEGRSEHH-ZDUSSCGKSA-N 434.815 0.949 50 20 ICGD CC(C)(O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 768260836 XUWPBSBGTIJWLR-UHFFFAOYSA-N 431.306 0.624 50 20 ICGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 768498056 NHIKDVXTOCEZPF-UHFFFAOYSA-N 443.503 0.835 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 771002539 DEJQODMUXOGWRD-ZDUSSCGKSA-N 448.501 0.241 50 20 ICGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772188153 HUMLSPRCBWVGPC-UHFFFAOYSA-N 438.893 0.384 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 773411126 ITAPOKFGVFKKLD-ZDUSSCGKSA-N 439.513 0.892 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)nn1 773500142 QYLDOCSYJGLFTH-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2ncccc2C(F)(F)F)c1=O 783118288 NVOUWFNRQUFXSS-UHFFFAOYSA-N 427.339 0.907 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ncn(Cc2ccccc2)n1 789819255 ODOLOFCDHQOABQ-ROUUACIJSA-N 434.456 0.985 50 20 ICGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CN1CCCC1=O 789857436 SNYCMEKFAXZSEL-UHFFFAOYSA-N 435.506 0.055 50 20 ICGD CS(=O)(=O)c1cccnc1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 793083299 BWHLKAWUMQKIKO-UHFFFAOYSA-N 435.462 0.242 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794593577 FJPGTPLGUHYONO-SNVBAGLBSA-N 433.895 0.916 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)N[C@H]1CCS(=O)(=O)C1 813420715 LQDDHFUZQWATJP-AWEZNQCLSA-N 443.547 0.681 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCc1cscn1 914444842 BLTSAMBISFSGCO-LBPRGKRZSA-N 425.488 0.926 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccoc2)[nH]n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 916096355 GNOJYMUDMWHOLC-UHFFFAOYSA-N 445.457 0.765 50 20 ICGD CCCNC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 921042388 QYJUERYJSOOYAY-INIZCTEOSA-N 428.511 0.891 50 20 ICGD CCN(CC)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 921122008 RVEWNPAJDXWOME-HNNXBMFYSA-N 427.575 0.374 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028567 MUQGPYGERQHXAY-HXUWFJFHSA-N 445.501 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781027030 OMKLRGNHVINUEC-OOMZYFKXSA-N 444.536 0.435 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782565701 XDNLESPBFPSMCY-OXJNMPFZSA-N 439.944 0.416 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1783934337 DVLYCCZBNKKVEI-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935293 PSEQWOPSPLZWLJ-FQEVSTJZSA-N 448.549 0.521 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785001446 HYBJYQVICUHVLX-NXOAAHMSSA-N 429.945 0.623 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc(C)n1 1787731826 OPUPSYWOIXSIHJ-VDGAXYAQSA-N 445.564 0.919 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1nc2ncccn2n1 1787936976 MCPDVEIVOKHGGX-AVGNSLFASA-N 437.298 0.503 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21)N1CCN(C)CC1 1789801482 LCUQWTGVWCXPRN-XAJHFOFHSA-N 445.402 0.385 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1791060276 AHLJSXRRPMKYQJ-WOYTXXSLSA-N 445.402 0.385 50 20 ICGD CC(C)(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1792975152 LDCIZIDSDVMDDZ-HLPPOEQASA-N 447.960 0.869 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795609939 UJPAUXNCPJIGDY-CNBXADPUSA-N 425.327 0.702 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2)c1ccc(B(O)O)cc1 1795734304 CMSRNAFLCYMBTM-VPTLXERWSA-N 444.243 0.091 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1796837404 ZLJKKMBQOXOGKI-XLWJZTARSA-N 433.933 0.764 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC=CO1 1797718518 CIUCNPVPEVCMGA-IWWZWCOKSA-N 429.477 0.403 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800975772 TTWWELJQKZWVTN-MVWRLGRASA-N 448.907 0.623 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1C 1801012133 HEEMXNFOYCLFFF-VPTLXERWSA-N 432.521 0.580 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803075891 ZHUYCWBZJDIFMR-MISYRCLQSA-N 439.321 0.488 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366832 OMQPPMJPJZFKLK-OZOXKJRCSA-N 438.337 0.421 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cn[nH]c2)[C@@H]1c1cccnc1 1808607208 LPIMPGVRQGBCOC-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972197 DIROZTIZZOWHBE-QGZVFWFLSA-N 438.337 0.977 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1811093169 VROWVUQPNOCHKS-DYESRHJHSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811230207 AMTRYDCGPUIXFG-KXBFYZLASA-N 441.492 0.270 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1(O)CCC1 1815347563 DGEKERVMCBEVBQ-IUODEOHRSA-N 443.334 0.600 50 20 ICGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](F)Br)CC3)CC1 1818803121 ZJBAGUAPKRKTFF-QMTHXVAHSA-N 448.362 0.993 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](O)CCl)CC3)cc21 1824181266 ZMRAACHCRHABMH-RDJZCZTQSA-N 437.928 0.460 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNCP(=O)(O)O)CC2 1825999395 QXJHCNWNMKLGPE-RKDXNWHRSA-N 440.846 0.034 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(O)c1)CC2 1826089729 MPGSDLUEUBWNQQ-LBPRGKRZSA-N 432.506 0.843 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1827680437 IBVVAYUKPDEOHQ-LAKWHSQZSA-N 431.541 0.026 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)C1 1830718471 OZVWHFCCFMCUHN-VEVIJQCQSA-N 437.320 0.836 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1 1831873147 BMXDQDFUWZJWJO-MRXNPFEDSA-N 448.572 0.312 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831882817 LEARDESTYGKALN-SFHVURJKSA-N 448.350 0.418 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc([N+](=O)[O-])o1 1833001744 CIXJWUJVRDMZKO-CQSZACIVSA-N 428.873 0.973 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823645 ASQVHGSDZICSAX-GOSISDBHSA-N 447.326 0.737 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835084153 OEAKQGCHEKHKCU-DLBZAZTESA-N 449.907 0.587 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398698 QBQJMSDUWLPIQO-ROUUACIJSA-N 438.352 0.011 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3(F)CCC3)CC2)CC1 1835737243 ABSMDFQCWNSIGT-UHFFFAOYSA-N 446.527 0.763 50 20 ICGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1835743008 FSMPOBWZHKGULA-UHFFFAOYSA-N 438.425 0.846 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836920225 YWQBPBGFKZUNFF-CVEARBPZSA-N 442.944 0.991 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)n1 1838043730 YXGJBKUBVQSNDP-HXUWFJFHSA-N 438.601 0.904 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838766687 ZMCZDONMYGIUTL-GWCFXTLKSA-N 429.758 0.428 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839152124 OMZFORYVCPEANE-MOPGFXCFSA-N 446.331 0.541 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840033782 PVLGTCIOQDTURN-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840153294 JRAXHUDROBJWTQ-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD CSCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182876 WSOLDACNFRCQAA-FQEVSTJZSA-N 444.598 0.205 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@H]1O 1847598625 UWHJSVGQSLOILN-MYGLTJDJSA-N 434.301 0.478 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15545087 DXFPBTBZXLFAJJ-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1OC 26961702 XBXIBSGTNJMSDH-UHFFFAOYSA-N 430.373 0.799 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 725871806 QVVYURLNTITLSR-UHFFFAOYSA-N 429.477 0.749 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)Cc1c[nH]c2ccccc12 726381430 BKGPVTWLTAZVAE-UHFFFAOYSA-N 428.470 0.867 50 20 ICGD Cn1c(=NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)sc2ccccc21 733887985 FMEBYXOIAAZGBN-GFCCVEGCSA-N 445.526 0.872 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 734262599 MFZGBOMSBXPDOR-UHFFFAOYSA-N 435.890 0.456 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(Cl)nn3)cc2)CC1 735688821 XYBLAMOWCVUMTA-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CCN(c2ncccn2)CC1 741923424 SEEITOADZIZHSU-GOSISDBHSA-N 437.504 0.788 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 747609025 OMUVWUWIQCINQK-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 754133928 LTMJABXGBSRXSY-UHFFFAOYSA-N 440.409 0.917 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)cc2C1 755054439 AEOXPFSRWGCBRR-QWRGUYRKSA-N 425.536 0.734 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NNC(=O)c2cnn(C)c2)c1 755436173 XZKMKALSGFGSOY-UHFFFAOYSA-N 437.526 0.983 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc4c3oc(=O)n4C)cc2)CC1 757142525 OKOLNYOMJAZFDG-UHFFFAOYSA-N 445.501 0.825 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c2ccccc2c1=O 760204766 SOPLMFBBWYTZEP-CZUORRHYSA-N 444.492 0.564 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 763811383 JQVMFPVUEOGLCR-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 764002195 JYFVVQUQOXAWLW-MRVPVSSYSA-N 443.350 0.861 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 764002890 VMYUMGMYHHMGTF-UHFFFAOYSA-N 436.222 0.632 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 764133519 VUZNHMCANDAKBP-UHFFFAOYSA-N 425.489 0.776 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764554051 WHHWOWGYCHUIHP-HNNXBMFYSA-N 444.467 0.659 50 20 ICGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 767187182 LOPIXWCCXRCTRM-UHFFFAOYSA-N 445.563 0.836 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnnn1CC1CC1 771375827 BIDSLIFFNJXWOJ-UHFFFAOYSA-N 427.513 0.126 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)[C@@H](C)O)cc1 779538054 TXYHWSDQTRDIMD-DYVFJYSZSA-N 441.531 0.570 50 20 ICGD CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc2c1C 779844953 MLWOASLDOYAGCT-UHFFFAOYSA-N 430.464 0.447 50 20 ICGD O=C(NNc1ccccc1F)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 782706179 REWMVQWCBHZCMJ-GOSISDBHSA-N 428.420 0.922 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(OC)c1 782888597 VVCLMMNPMPOSIZ-UHFFFAOYSA-N 439.428 0.697 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2nc(C)c(C)s2)cc1 789732412 PKWVBFUUXDQTLD-UHFFFAOYSA-N 439.519 0.475 50 20 ICGD COc1cc(NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1Cl 789799305 XQDYMNCDUQJHMQ-UHFFFAOYSA-N 436.856 0.486 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 794599020 SJACCHBVQORENB-UHFFFAOYSA-N 430.442 0.764 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc3c2CCO3)cc1 796989277 DAFXNBZYGFDJOP-UHFFFAOYSA-N 446.485 0.337 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1OC 796991704 HSWKBVBTYOVPDE-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)n1 803469349 JWSWELGSLHJZDP-HXUWFJFHSA-N 446.485 0.092 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 808045634 OVBTUWZDYJMCHO-UHFFFAOYSA-N 441.428 0.920 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 812732145 UMSDWCQYSKBZOV-UHFFFAOYSA-N 440.547 0.975 50 20 ICGD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)C1 815691125 FWUPAMMIHOWXMO-NVXWUHKLSA-N 439.520 0.859 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 815691447 QFFLJXXHWFUWJR-OAHLLOKOSA-N 448.487 0.826 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914878657 NRFHAZYOQYBQMH-IRXDYDNUSA-N 429.498 0.565 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 915789137 QCDHQTNZXSTCED-ZDUSSCGKSA-N 437.449 0.922 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 916559442 DIZKLYQAXUFRLJ-UHFFFAOYSA-N 449.558 0.993 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(Cl)nc3)C2=O)cc1 917248800 FNUMUXJWDNPVGH-IBGZPJMESA-N 431.836 0.972 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CSc3ccc(Cl)cc3)n(C)c2n(C)c1=O 919690333 QVJURBLSXBNDSQ-UHFFFAOYSA-N 435.893 0.782 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n2nnnc2C)c1 920427832 PRLJCDKJDYTALT-WQRHYEAKSA-N 446.431 0.425 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccn(C)n3)CC2)o1 1326698306 WTMLPYAHGXFKNU-UHFFFAOYSA-N 425.467 0.734 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)cc(O)n1 1778039206 WXRKQSODJHYJNY-VGOFRKELSA-N 447.536 0.596 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1778382244 FTNFFJRNACQRTE-KRWDZBQOSA-N 430.292 0.264 50 20 ICGD Cc1cc(C)nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030217 KGHTWFBRMUJOGN-QFIPXVFZSA-N 438.488 0.454 50 20 ICGD CCOc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)nn1 1780238656 LYZQOXGVTXMITO-QMTMVMCOSA-N 426.901 0.603 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783354431 ABSIKYIWCIIOIN-CXAGYDPISA-N 433.347 0.363 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)c1 1783934496 BUJZIRCQPSBWAO-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)cnc2c1 1788038384 JQMUUPRFLIVHLN-HJWJTTGWSA-N 448.907 0.196 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CC3)[C@H]2C1 1788221946 ROYDDOLDUTZCNQ-IHRRRGAJSA-N 434.459 0.682 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791229318 OPLCHGSXHRARGU-VBYGDGQVSA-N 428.913 0.321 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccc(O)cc1 1791290653 HFGRFBJETSTBHK-UHMOLFJZSA-N 446.548 0.848 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736734 DBBXTOKDISFGBT-REGYPHIPSA-N 426.278 0.041 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362654 AOSOPWXRGYRINK-AIEDFZFUSA-N 449.907 0.746 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ccoc2c1 1799970546 MREOYFURCMFFTE-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1800978404 DEBXJBXEIPWBOU-KPEUIFRASA-N 433.896 0.724 50 20 ICGD CC(C)c1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009610 RTUBBGZZTAOKJG-ZSBFGKGUSA-N 437.566 0.843 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1Cl)C2 1801010736 SPDZFZWNPYULAD-CCWDJLKJSA-N 437.928 0.240 50 20 ICGD COC(=O)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802452386 ZIINBYHZBMMFBY-REPLKXPHSA-N 430.310 0.742 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803135939 LOEINGGIKNLNAE-DMRZNYOFSA-N 431.942 0.368 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806582924 WIERVGPMYRIKJE-ZDUSSCGKSA-N 443.342 0.800 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374672 JBAZTJYSTPYGGJ-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971287 QKUWFLBAGCBKKZ-QGZVFWFLSA-N 439.325 0.139 50 20 ICGD O=C(CSc1nc[nH]n1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980574 WHGYJJNQXRHPFE-UHFFFAOYSA-N 443.338 0.122 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812886826 ACCPNJOHXUXVMR-SSXICUSMSA-N 449.316 0.649 50 20 ICGD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813635744 ZNZHZVRBJZCYIK-GHTZIAJQSA-N 437.305 0.386 50 20 ICGD COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1814316021 UKIAECLICSNBPW-GFCCVEGCSA-N 427.527 0.091 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469818 FAFFUGSKBXWUGQ-SUMWQHHRSA-N 441.297 0.310 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820790268 RYTYCGJOAVESOL-BPUTZDHNSA-N 426.949 0.637 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n(C)n1 1825920353 IQSWUCHEPPGWNQ-FQEVSTJZSA-N 438.337 0.955 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829828391 HCXWHFFABDZMSA-DVOMOZLQSA-N 435.246 0.460 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538041 UEGPHDXRCGLONK-GUYCJALGSA-N 435.315 0.427 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830645745 FRWNBXCQSQTZSH-JOCHJYFZSA-N 436.553 0.584 50 20 ICGD Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723490 OHJYOXOTKOJKBI-OXJNMPFZSA-N 426.897 0.430 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834428237 DLXZPPBYECNRRY-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835248432 ODJSZZZOYGPFEB-RHSMWYFYSA-N 437.331 0.279 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835808506 YYVQIIVWLHNNJJ-SJKOYZFVSA-N 432.930 0.358 50 20 ICGD COCc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1 1836103155 HVZZDZDGKHERGA-GOSISDBHSA-N 426.945 0.946 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412490 IVQGLUZVZLPTPE-AWEZNQCLSA-N 442.351 0.293 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1838098243 OWEIUSUNKBVMMQ-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840032564 CHQODYNAQZLYAO-OGHNNQOOSA-N 434.331 0.093 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840151869 PPKOLGHOPLCSPV-QFBILLFUSA-N 426.901 0.119 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1840182759 SZBAKYFPWPNQDI-LAEWNIMASA-N 434.493 0.122 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841432215 JYLFNUULXMFWDK-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1843416101 ZFWACAVHXZBLAW-SSDVNMTOSA-N 428.409 0.269 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845472737 KONVRYRIYUCRAR-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl)NC(=O)NCc1ccccc1 1847565499 SLEIMPBFBBVTAC-YESZJQIVSA-N 437.928 0.134 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847570082 HYRKXDAZQYYJNQ-PMPSAXMXSA-N 439.557 0.722 50 20 ICGD CNC(=O)c1ccc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 9755881 VNVLKCDUNLZKCU-UHFFFAOYSA-N 432.506 0.826 50 20 ICGD CCOC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)nc1 725872590 PCKMYGDOKIZONP-UHFFFAOYSA-N 444.448 0.144 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4cccn4)nc3)cc2)CC1 728214817 SQYALWBYJUCWKE-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728343011 OQGOVYSVWHDCQK-DAYGRLMNSA-N 447.488 0.802 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 733359358 NIVKANOHQMMCAN-UKRRQHHQSA-N 426.539 0.875 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2nccnc2Cl)c1 734260775 NEDBKYRMKNPNDB-UHFFFAOYSA-N 440.913 0.974 50 20 ICGD CSC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737062003 XQRKJOCRWGLBFA-CQSZACIVSA-N 444.579 0.722 50 20 ICGD C#CCN1C(=O)C(=NNC(=O)Cc2cc(O)nc(O)n2)c2cc(Br)ccc21 743447882 RCEVCZALFJBPDQ-UHFFFAOYSA-N 430.218 0.693 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 743830421 UQMLFWJKORNADU-UHFFFAOYSA-N 426.476 0.928 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1=O 744603076 FVKIOWBSKFZDFZ-UHFFFAOYSA-N 449.423 0.059 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)nn1-c1n[nH]c(C(F)(F)F)n1 747392476 GIWVVFJRTZKGGP-UHFFFAOYSA-N 446.353 0.973 50 20 ICGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1ccncc1 747428076 CBMJLBWOQHGZLJ-INIZCTEOSA-N 429.502 0.925 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)C(C)(C)C)c1 749420828 MBDZNNWHOYHHSR-UHFFFAOYSA-N 441.554 0.823 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 751212965 ZYASKXYVNRWSNV-FRRDWIJNSA-N 436.490 0.064 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1 755257651 DVZPQCKIROLTLK-QGZVFWFLSA-N 442.538 0.316 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(F)ccc1Br 755319877 KUYMQEDZROZLSM-MRVPVSSYSA-N 448.274 0.450 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)COC 755392358 OVCCVXNURAXIJM-UHFFFAOYSA-N 443.526 0.353 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)n[nH]2)cc1 755848517 MAOKVZLJYZGGNX-UHFFFAOYSA-N 448.443 0.797 50 20 ICGD CC(C)Oc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755867348 LOGDKELPMGZESS-UHFFFAOYSA-N 429.437 0.074 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 757886096 QOOKPOBMBPIUEL-MNOVXSKESA-N 425.454 0.461 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)Nc1ccccn1 758827605 KZHPRXBCEFSNJI-UHFFFAOYSA-N 448.457 0.193 50 20 ICGD N#CCOc1cccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 760403293 HPWAAXNKHNZSBL-UHFFFAOYSA-N 435.484 0.737 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 762856496 QPBXZQLJMSBIFK-INIZCTEOSA-N 446.533 0.857 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 763662848 KXAMCFUPLAYRLA-UHFFFAOYSA-N 430.417 0.228 50 20 ICGD COc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763734290 JEDJEQIOWLAIIW-UHFFFAOYSA-N 434.474 0.410 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c2ccccc2O1 763753568 HSOYEOHIJCIDQC-QGZVFWFLSA-N 426.429 0.481 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cn(-c2ccccc2Br)nn1 763818294 FZHNPZUBOMLTFG-UHFFFAOYSA-N 444.249 0.616 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1S(N)(=O)=O 763973968 JBEJGZQZCOAFAN-UHFFFAOYSA-N 426.838 0.401 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1F 764069407 CBGOEFVAMBERRC-LLVKDONJSA-N 436.440 0.783 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 764081721 JAHDHLXVFIZRNL-OAHLLOKOSA-N 433.509 0.492 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 766951331 NTCKRJYRLGMOGT-UHFFFAOYSA-N 437.474 0.881 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 770622700 UJAQXXKOWKYKKC-KRWDZBQOSA-N 425.445 0.618 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cn1 771431561 HXCIMSSARKGBHB-UHFFFAOYSA-N 441.535 0.823 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc2cncc(Br)c12 773657878 IPKHZWRNBZTENB-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD C[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 776285555 NTWPWOKXDJMAGV-NVXWUHKLSA-N 439.534 0.603 50 20 ICGD Cn1c(CCC(=O)NN=c2cc[nH]cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 780753521 FMWKTTQWXKQVTM-UHFFFAOYSA-N 444.517 0.487 50 20 ICGD Cc1ccc(C)c(NNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 783361759 GKGOAEJVDONHCQ-UHFFFAOYSA-N 446.533 0.862 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 786413458 ABMDGYFQMBYWIG-UHFFFAOYSA-N 441.242 0.098 50 20 ICGD CN(C)Cc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Br 786424233 NHFLOAWVIAHTJS-INIZCTEOSA-N 447.355 0.647 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 792627982 CHUCOQNKCODTOW-GOSISDBHSA-N 442.394 0.886 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)cc(OC)c1OC 792732324 FJNGUCKBCPHMHJ-ZDUSSCGKSA-N 445.476 0.682 50 20 ICGD CC(C)[C@H](C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 794488440 NSMITQZNUXMADO-LBPRGKRZSA-N 442.542 0.470 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)C(=O)Nc3ccc(C)cc3)ccc21 801108723 RMDZHYCHMGEIJH-UHFFFAOYSA-N 437.456 0.420 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802104736 IKENIFMAMULQBB-UHFFFAOYSA-N 437.412 0.640 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 802106818 WYZANPLHNIAIFJ-UHFFFAOYSA-N 436.446 0.807 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 815751609 GTKIKUGTURZALN-UHFFFAOYSA-N 443.485 0.871 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 817051314 JUGCQZRCIDJDFE-HZPDHXFCSA-N 436.534 0.821 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(-n2cnnn2)cc1 914405982 GAWWOSGDECLEPC-QGZVFWFLSA-N 431.456 0.965 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 915188793 SGTOLUDCADXNMY-UHFFFAOYSA-N 437.449 0.687 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 920858821 GCWXUKIRPKTGTR-JTQLQIEISA-N 449.327 0.870 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)c2ccc(OC(C)C)c(OC)c2)C(=O)NC1=S 920979980 PLNQYFPWPNZLSM-JLHYYAGUSA-N 436.490 0.490 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)CC1 1251918212 ANHMAOJAZXLVHH-UHFFFAOYSA-N 425.486 0.503 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2c1=O 1318725016 CYFMFKPZBJIDOF-AWEZNQCLSA-N 428.493 0.378 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777722653 RRXMDYAFXOGNFZ-FQEVSTJZSA-N 430.465 0.039 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778687287 PJRGYFIRYVRTLB-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1cc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779031795 FVJFLLXVWQNHRQ-GMKGHPLGSA-N 440.460 0.138 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780792560 LDASMKKTEPKSJV-KYZVSKTDSA-N 430.343 0.905 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)c1OC 1781821634 OJFWXAQNWHQMAZ-DJJJIMSYSA-N 428.869 0.453 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C1=COCCC1 1782249168 CUHFDIBADKMUHR-DENIHFKCSA-N 428.294 0.188 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1 1782445814 JTQSIKQHCKDKNX-JBYIUTFZSA-N 433.553 0.936 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783406929 HZZHIWYWTLVCSU-BWKNWUBXSA-N 448.328 0.615 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1784071930 YQZJTKSPQNAALB-COZGXFGHSA-N 444.956 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980214 WJVIVRYDRJDULW-VDGAXYAQSA-N 442.346 0.654 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1[nH]cc2c1CCC2 1789161489 WQVFWWBMMCXRPE-VDGAXYAQSA-N 437.305 0.090 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)oc2ccccc12 1795734124 DTFZAZVIRYKXBV-UPHUGPLXSA-N 448.284 0.938 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957422 OEPSHIVKIMPLND-GGXPGOJBSA-N 448.596 0.641 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cnc3ccccn13)C2 1798439695 YHSDBSQFFGHZCY-MUJYYYPQSA-N 447.499 0.827 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1805733290 QEDOULPBTGMQQJ-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364999 VXTYHYPUUFKNAX-XLIONFOSSA-N 447.256 0.557 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973959 MRZHZAFGVRAJQA-GOSISDBHSA-N 434.367 0.325 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978660 IUQXVRMZZJUIFB-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980713 PJVQTSLWRISTNM-UHFFFAOYSA-N 438.337 0.794 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)s1 1810102948 XHEVIYIDDPYBOK-UHFFFAOYSA-N 442.350 0.614 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1810423253 YRJQTESKTGMFER-AVRDEDQJSA-N 447.304 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1 1814188318 QAHAJGIEPDTNPM-GFCCVEGCSA-N 444.517 0.794 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)[C@@H](O)CCl 1814869825 CPDMVVNJDUHNLT-RYUDHWBXSA-N 434.844 0.046 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468012 ALULLFQBVQGWMZ-GXFFZTMASA-N 448.871 0.700 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)no1 1819795087 HKVHDJULCAFJBL-JTQLQIEISA-N 441.473 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CSCC(=O)O)CC2 1826089627 IGJZAIHVYMVOSM-SNVBAGLBSA-N 443.551 0.246 50 20 ICGD CC(C)(C)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050930 HFDFLJFXBRMNIH-HXUWFJFHSA-N 429.370 0.988 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830537767 OBVQNDUNKHSHMS-ABAIWWIYSA-N 437.360 0.100 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312583 YOXKCJGUDHOWCV-MRXNPFEDSA-N 446.976 0.682 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)CCN1 1836414652 WFMFDYAZXFBWBB-MLGOLLRUSA-N 447.349 0.775 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839150712 VIHQANBVSRKMBR-DLBZAZTESA-N 433.292 0.489 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518166 ILMQNILKZUUPOZ-BEFAXECRSA-N 426.901 0.753 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839618700 TVOSXESSFAJNSA-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839962153 WBBFGTMAARLYCN-DHSIGJKJSA-N 445.310 0.943 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840032316 VCHSPGYCJAXVKU-ZUZCIYMTSA-N 433.328 0.579 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840149642 WHKLPAAQBZLRNP-LIRRHRJNSA-N 427.885 0.876 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014312 XCPXXRJHECMEPG-GOSISDBHSA-N 435.289 0.447 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844264463 VLIINMABRXSFIQ-TVSCDJBNSA-N 430.465 0.031 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c3c(nn2C)CCC3)C1 1845675301 XZYVTFZRUHUVIV-ZVHZXABRSA-N 437.504 0.860 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccc2ccccc2n1 27685159 WPBJCZWACBEAST-UHFFFAOYSA-N 436.472 0.857 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 726283429 ZUUCXAROJHMGTM-OAQYLSRUSA-N 425.445 0.959 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2ccccc2F)cc1OC 731344978 SRMNWSPBGSSQMD-UHFFFAOYSA-N 439.465 0.901 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)n(C)c1 732261262 LVDZCVVYMKBEKB-GASCZTMLSA-N 443.570 0.316 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732319852 FCOWLJZNEACPRE-UHFFFAOYSA-N 429.389 0.444 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2nnnn2C)cc1 733407762 SXZPKDOGIZZLSS-NTEUORMPSA-N 436.432 0.608 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 745800123 KSTWYELKTDMXEI-UHFFFAOYSA-N 444.448 0.736 50 20 ICGD O=C(NNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)C(=O)N1CCCC1 748241064 ORLJGDYLRCNDCZ-UHFFFAOYSA-N 441.469 0.710 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@]34CCC(=O)N3CCS4)cc2)CC1 748620626 RXDHURCUIALKQV-GOSISDBHSA-N 439.563 0.131 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 751210576 HFFMASQCGRIGNY-YUNKPMOVSA-N 449.533 0.762 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 756095324 MQPIJWSPUAUNER-LNMJFAINSA-N 426.473 0.820 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)c2cccnc2)c1 757775469 HNYIXGIIXCGHDH-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1 759623337 YIUOFJVROQJENS-UHFFFAOYSA-N 433.534 0.432 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 759718330 MVSSYDHEEHSCLF-XDTLVQLUSA-N 429.271 0.580 50 20 ICGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760132033 NWKALCINBOCFND-JKSUJKDBSA-N 428.511 0.140 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763465743 DBSUVAZFTVIAOT-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD COc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763540147 SKMSNKBPLCXWBT-UHFFFAOYSA-N 428.401 0.992 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 763551188 MVYOESHJFJSJEN-UHFFFAOYSA-N 447.448 0.598 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)n1 763893696 XRKYKURJEWQNLK-UHFFFAOYSA-N 426.477 0.830 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)C[C@H](C)O1 763980180 WHWVCQBABXNTMI-STQMWFEESA-N 449.489 0.212 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C(=O)Nc1ccc(-n2nccn2)nc1 764085745 NVLYRLGLVXKVEB-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)cc1 764131208 HQBVBNOKCTWOIA-UHFFFAOYSA-N 434.474 0.322 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)c2)CC1 764289384 RUYVOOHYPKYRMJ-UHFFFAOYSA-N 439.516 0.858 50 20 ICGD COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435539 WQZVVRBWGRAFKN-SNVBAGLBSA-N 436.646 0.612 50 20 ICGD CC[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 764590428 DPVBMGNHPMPDAL-KRWDZBQOSA-N 426.539 0.128 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765314331 XATWOPVXNLQUFI-LLVKDONJSA-N 434.540 0.867 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770346164 QOEIXLRYZCTVOO-UHFFFAOYSA-N 447.544 0.904 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)c1cc[nH]n1 772279457 ULTSFFJDBDPRQU-UHFFFAOYSA-N 425.405 0.340 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CSc2nnnn2C2CC2)C1 773419379 NCRFHGGHGPCYMR-NSHDSACASA-N 425.515 0.895 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cnc3ccccc3n1)CC2 773717093 XPICTVIXPYZJEQ-UHFFFAOYSA-N 440.485 0.960 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 774008436 ISHSSIJESYXMKN-LLVKDONJSA-N 429.824 0.869 50 20 ICGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1 775275842 LIRYFCJVQBUNAW-UHFFFAOYSA-N 434.499 0.966 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)NNC(=O)CN(C)C 775450430 QEAODRXDSWEHKK-UHFFFAOYSA-N 427.527 0.974 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782833981 NWQTWLZUJASDLV-UHFFFAOYSA-N 434.474 0.870 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1N(C)C 782896285 DSHCAODPEVEDHH-UHFFFAOYSA-N 432.506 0.754 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 784385137 GOVOEHHWPIFINN-GASCZTMLSA-N 446.416 0.464 50 20 ICGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 787439720 KJHWTJWPZGUJTA-LJQANCHMSA-N 429.521 0.287 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794064040 UCBKMTQROIBKGG-UHFFFAOYSA-N 435.462 0.019 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 796145133 ZUHKETLDCVJMKF-MRXNPFEDSA-N 448.524 0.866 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368529 CMWQYMGCPSESHD-UHFFFAOYSA-N 448.457 0.102 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 802124121 CRZKTZASPWQTNA-UHFFFAOYSA-N 440.508 0.824 50 20 ICGD O=C(COC(=O)c1ccnc(NC(=O)C2CC2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 803905682 ZSJMXMSBCIUCFP-UHFFFAOYSA-N 427.373 0.956 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C 912921083 KJFCTLRSVSIKAV-ZIAGYGMSSA-N 442.538 0.206 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2cccc(C)c2)cc1 913445708 RTAGAGRVGAYRFB-UHFFFAOYSA-N 449.485 0.676 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COCC1CC1 915635551 BHXFYGXIUWSYIL-UHFFFAOYSA-N 425.507 0.214 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cn2)CCO1 916392926 PXAWBHFYNJQJRK-KDOFPFPSSA-N 427.461 0.977 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cc1[C@@]1(C)NC(=O)NC1=O 917726971 SNXPKLOXUQDVTL-LJQANCHMSA-N 432.458 0.682 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2nc(CN3CCOCC3)cs2)c1 920934885 FKEIVNBEYZKFHK-UHFFFAOYSA-N 439.519 0.845 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)O1 1320045332 NFCZLQCTMLPMSR-HUUCEWRRSA-N 441.529 0.600 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778307803 NKWLOYNWDZYSAQ-KRWDZBQOSA-N 426.200 0.152 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779032641 PTXACEVMVDIYTH-JOCHJYFZSA-N 434.456 0.314 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781230502 TUSMYTMYPVOPIK-LYRGGWFBSA-N 426.297 0.117 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933239 SXHAJBUAPRNTQL-HXUWFJFHSA-N 438.550 0.963 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)cn2[nH]cnc(=O)c12 1783948446 MUJYMXLBFULPNB-KRWDZBQOSA-N 428.276 0.578 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785677429 BZBYPQFWWPEUOS-XMMPIXPASA-N 434.301 0.225 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785734214 XYJAMRGSKREGFR-VLIAUNLRSA-N 447.960 0.967 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979861 UTDTYPMOVNPIAC-WDSOQIARSA-N 432.301 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786986568 LQISDIQWVXQVRM-QGQQZZQASA-N 448.328 0.690 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)CC1 1787447408 VVAIPVXGQPIDQF-AJNGGQMLSA-N 439.937 0.172 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787499155 VREHGXZRAOCDHN-AJBSGBCOSA-N 437.349 0.572 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790748061 RSXXKSUCDUPKJI-YHUYYLMFSA-N 432.615 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21 1791290910 DCGCDFNITBSTMV-BZSNNMDCSA-N 442.520 0.301 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]4C3)CC2)CC1 1791296683 TWWYGKIWVKDCAK-KKUMJFAQSA-N 433.380 0.550 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1792868222 ULRSCDXQHDKDAD-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1792871190 QOVHYKYUDVDFIE-ZIEJDFEHSA-N 436.310 0.964 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)[C@@H](O)CCl 1792983529 LVZAFFBODDXGEL-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3[nH]1)C2)c1cccc(B(O)O)c1 1795739246 WOVOOMJCUKUGQG-HBCWATKFSA-N 439.302 0.426 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2nc(CO)[nH]c2c1 1796189008 MBGYYURYNOUZHI-BCDXTJNWSA-N 448.288 0.301 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1800756107 GBUCOFXTDFSAIC-JVCZHTPTSA-N 425.327 0.845 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800758350 UJICIGLEFVZJHS-HNCHTBHHSA-N 425.283 0.167 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1805385329 WNZCBVTXRGSCAG-QAPCUYQASA-N 446.386 0.899 50 20 ICGD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1)n1ccnc1 1805734740 WHHPACXHIWCZFV-INIZCTEOSA-N 439.520 0.988 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CN)[C@@H]1c1cccnc1 1807011465 DUCQLTJRNFJRBF-PBZRQJIMSA-N 439.520 0.816 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367599 TUWZOJZCGTUSPV-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807979354 KXLOFDOSNHENBR-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cscn1)CC2)c1cccc(B(O)O)c1 1815355480 TVQMBGGSESCZQA-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473990 JRYQPMVBIZBUOJ-KBXCAEBGSA-N 426.282 0.987 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1 1819402749 JUOOGAMUXLOSLV-INIZCTEOSA-N 437.464 0.611 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824304032 JIFICASQNCOJEZ-NRFANRHFSA-N 436.321 0.632 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1827679673 OSFFTQMHLCKWBQ-YSGZUTGPSA-N 445.524 0.408 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829956067 GHCLKAWPMFPSMO-KKXDTOCCSA-N 436.336 0.205 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830736145 RSLKRQLLDHRTJL-BEFAXECRSA-N 432.851 0.943 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831644394 WYNQVVIEUSWTMB-IFXJQAMLSA-N 427.885 0.563 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832844197 LZFCLALUFAMEFX-APWZRJJASA-N 429.876 0.209 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1834531881 IHRPOZIFRZOMAV-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3=CCCS3)CC2)CC1)c1cccc(B(O)O)c1 1834799825 FJFYERIUBJOMMA-UHFFFAOYSA-N 443.378 0.572 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836667995 JLIMTQPVVYJCRQ-XLIONFOSSA-N 430.977 0.098 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565382 VAGIJEQILAAXLG-FLSHMKOJSA-N 427.885 0.409 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1837658202 HHWBRQIWESXUCA-HNAYVOBHSA-N 444.891 0.278 50 20 ICGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cc1C 1838153013 ZXGJPJIXHDWULD-BEFAXECRSA-N 428.917 0.535 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(O)c1 1838887418 BUVQMKOVZHLGJP-VQIMIIECSA-N 428.869 0.071 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198240 AJLZMUUFSIMDOH-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD O=C(Cc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199612 YJTGZAIMAJHSHG-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839686515 SNSOBWHJYDWOLQ-LBTNJELSSA-N 436.889 0.258 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1839779739 MOLYVLLSXXHEDR-RDTXWAMCSA-N 436.958 0.285 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839966442 DXQSCTMJFJGQAP-RHSMWYFYSA-N 434.331 0.143 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1840155665 GINVGVFRZSOYSF-UZLBHIALSA-N 448.944 0.820 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408176 LLOROBJOUJLHOD-IBGZPJMESA-N 426.901 0.577 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437531 RDHVPKCJNFWCNZ-FXAWDEMLSA-N 442.944 0.290 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H](O)c1ccccc1Cl)C2 1844265341 SQIJJDNEVKUKLG-QGZVFWFLSA-N 443.891 0.889 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844818904 NBDBTQJVSDNAEZ-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NNC(=O)C(=O)NC1CC1 10215508 FRKMKQSVUHAGEV-UHFFFAOYSA-N 430.486 0.513 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728343013 OQGOVYSVWHDCQK-HDMKZQKVSA-N 447.488 0.802 50 20 ICGD O=C(COc1ccccc1CNC(=O)NNC(=O)Cc1cccnc1)NC[C@@H]1CCCO1 728949786 YIXXCRGVOVQQKL-SFHVURJKSA-N 441.488 0.829 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 732259250 BDUULWCLVWVFTQ-GASCZTMLSA-N 437.522 0.139 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732474109 GWOOJOQHIWMPEF-MRXNPFEDSA-N 442.538 0.501 50 20 ICGD CN(C)C(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 740373903 QTFWNXLOEUEBQT-QGZVFWFLSA-N 442.428 0.924 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 744459991 HYPXUPGUXXFFNT-UHFFFAOYSA-N 444.469 0.428 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 745431490 DEGOHFVSDUXZQO-UHFFFAOYSA-N 447.469 0.167 50 20 ICGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 746366618 CBTVFQLLLRSMEX-AAEUAGOBSA-N 426.886 0.527 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 748915966 RJQIDFUDCBUFLB-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2N2CCOCC2)c1 751291723 YLNKZJGYLUFLPS-UHFFFAOYSA-N 432.502 0.848 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 756656346 VYEXHRIDPGOXSJ-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 763535444 CQVCCXCBNOZLNU-UHFFFAOYSA-N 445.457 0.750 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 763551867 STTUVWOSGFBSBJ-UHFFFAOYSA-N 445.395 0.944 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763664523 XNANKZRPIBYLHR-UHFFFAOYSA-N 442.428 0.812 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 763681027 IYAJEHHLORSAOE-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 763841182 OHGPWJITPNMIIQ-ZDUSSCGKSA-N 431.449 0.767 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)cc1 763859694 FDDKJOTVPNTWOM-ZDUSSCGKSA-N 428.445 0.998 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763864337 AXEVMKFJOGKEFG-CYBMUJFWSA-N 446.435 0.846 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 764203775 DHFIRQFSASVXKV-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 764365799 BWEGWSBRNUJOSH-UHFFFAOYSA-N 426.429 0.942 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O 769742722 VBOHUYLRNWEZPA-UHFFFAOYSA-N 426.476 0.941 50 20 ICGD CSCCNC(=S)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 769767743 VJSKKWZEHDKTCP-UHFFFAOYSA-N 433.577 0.870 50 20 ICGD Cn1cc(N2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)cn1 770397952 AJEKPSKMQGUBGZ-LBPRGKRZSA-N 428.457 0.452 50 20 ICGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 770428409 QUJMMPSSYIQCOC-UHFFFAOYSA-N 439.494 0.256 50 20 ICGD Cc1cc2c(N3CCC[C@@H]3C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ncnc2s1 770883747 PLIOLYKZOJPWKA-WCQYABFASA-N 438.535 0.486 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770971992 NSGQOOGTQXLLJI-UHFFFAOYSA-N 427.450 0.768 50 20 ICGD C=CCNc1ncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 771046730 VNMIALOOWBRESB-UHFFFAOYSA-N 428.518 0.960 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 773640405 YSAQQNXFGJIGSR-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 777141824 TZSYVNWKVZDBRU-JTQLQIEISA-N 432.296 0.587 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 777939448 OZERYSLVXHKQNH-UHFFFAOYSA-N 441.915 0.578 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 778713405 QWCBVGWFIDQMOB-XHDPSFHLSA-N 427.841 0.257 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782831263 BVMYUQQEOYGVMI-GFCCVEGCSA-N 434.474 0.869 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785059887 CWBFKOOOPLWLIZ-UHFFFAOYSA-N 433.428 0.863 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCS(=O)(=O)C1 786425048 YGIOIMOVYJGVOC-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNC(=O)COc3ccc(Br)cc3)c2)CCN1 786686813 HSSWOZCQVQVFEZ-UHFFFAOYSA-N 448.277 0.620 50 20 ICGD O=C(COC(=O)c1cnnn1-c1cccc(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 789106031 YDJSZMQGXUMRFO-QGZVFWFLSA-N 441.375 0.551 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789810243 LLWPLMBSYNQUNP-HKUYNNGSSA-N 440.456 0.930 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Br)c1 794577101 QQWHATVHHPKULS-QMMMGPOBSA-N 427.298 0.202 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1C 796997800 DEHAXIZADDWRCM-UHFFFAOYSA-N 427.339 0.783 50 20 ICGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 799714488 VVQPOFASJDSNQT-HHHXNRCGSA-N 428.536 0.326 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)nc21 802467903 HLCMLKBTEBKNFK-LBPRGKRZSA-N 426.437 0.375 50 20 ICGD O=C(NNc1cccc(F)n1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 807392690 VQANYYQYPCVPBD-OAHLLOKOSA-N 429.408 0.317 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 812731519 KJBKSLFVEZOZDA-UHFFFAOYSA-N 431.474 0.746 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(CCN2CCCCC2)cc1 815692008 HNRCOPHQBANEHZ-KRWDZBQOSA-N 439.520 0.655 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(F)c(F)cc1I 815778682 BTUXYZLFZAHIIN-SNVBAGLBSA-N 439.156 0.834 50 20 ICGD COCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C 914876328 BSCNWQUVYCDHBB-UHFFFAOYSA-N 432.462 0.619 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(Cl)c[nH]3)CC2)cc1 916732190 QOBIBQWKYYNAPL-UHFFFAOYSA-N 439.925 0.744 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)n1 917515341 AUUPNWNHZLSAQV-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919658008 IWLVWIQMPPJUHZ-KRWDZBQOSA-N 444.513 0.991 50 20 ICGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1317705319 WUJUBEMZPKBWBI-UHFFFAOYSA-N 433.424 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779453716 LBZRGYLFDOWMOD-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD CC[C@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780096714 GBPQZHYTMIWICX-LAUBAEHRSA-N 448.476 0.962 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C(Cl)Cl)C3)cc21 1782216080 AJWZHILVVYOBAA-FZKQIMNGSA-N 444.319 0.558 50 20 ICGD C[C@@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CC1(F)F 1783141106 AWFHCRYJQXCYIV-LSTHTHJFSA-N 436.264 0.539 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783409293 HSCJFCBBTMKQKH-GBXCKJPGSA-N 442.560 0.994 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1783874711 ASBRZPVJZSQESC-XLIONFOSSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1783936059 BNOTUBKHEHVZLS-PGRDOPGGSA-N 429.521 0.226 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1)n1cncn1 1783973801 CWTXDHJSVVDMRP-YTFOTSKYSA-N 428.331 0.850 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368835 BPHPQUZABBZAPI-SQGPQFPESA-N 439.944 0.694 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1784932731 NCHALYYEOXUMPA-OEAJRASXSA-N 432.359 0.866 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)CC1 1785374997 JQSLBIGJUWSEHL-OXQOHEQNSA-N 445.944 0.939 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1785533386 UBRVQHPOCIDBAT-WAIKUNEKSA-N 437.500 0.932 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508724 JWWYLBWAQZJCCK-JUORBAGFSA-N 446.552 0.474 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791055263 RJDGMQRYJJUKAJ-MXAVVETBSA-N 432.359 0.912 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1791256725 FZJZPXQYLHQVQE-TXTPUJOMSA-N 448.951 0.986 50 20 ICGD COC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CN(C)C(=O)C(=O)O)CCC2)cc1 1791571144 LQDADMFWUWXLME-AWEZNQCLSA-N 425.869 0.917 50 20 ICGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NCc1ccccc1 1792975293 QAASFIRXILDOCG-WOWMTTPYSA-N 435.908 0.048 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1[N+](=O)[O-] 1792978555 GEMFZAFSWHHWKW-CXHZTBPHSA-N 425.869 0.635 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999780 MPTSCGQIYTWDAZ-OHTBPHCPSA-N 444.286 0.412 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n1 1794575676 XQALYRXARBXQEV-BCDXTJNWSA-N 436.277 0.285 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccnc2)c1)c1cccc(B(O)O)c1 1794769822 SDHJQXRJEYUDLY-ACDBMABISA-N 445.288 0.513 50 20 ICGD CN(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795875345 PIMHGTFFUMSQSF-ACDBMABISA-N 444.580 0.923 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(OC)c1 1796188622 ZZCZMBLGIYBPMG-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD CC(=O)N(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891021 XLVGHNVAWIBWBC-DZBUXLHASA-N 430.509 0.627 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C2 1796893525 DRCMDQJYLWMMBP-VWKPRPGLSA-N 449.533 0.336 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(Cl)n1 1798763650 NABVOXUMVKKFTD-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1OC 1799637218 CUOHBPKNHBKUQL-REPLKXPHSA-N 438.289 0.949 50 20 ICGD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800906835 KCIXYLNYGIEKRE-DMVWFOPNSA-N 443.909 0.876 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc21)c1cccc(B(O)O)c1 1802155165 KEAXDIKQLLPTNA-REPLKXPHSA-N 432.289 0.668 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802973480 MRNZKUVAUSKOFC-JXFKEZNVSA-N 440.504 0.826 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@H]1c1cccnc1)[C@H](O)CCl 1803138150 XTFRWXBYFQVENL-JZXOWHBKSA-N 426.970 0.736 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1805879759 BOBWYSYCHXJXOO-JXFKEZNVSA-N 448.487 0.296 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1CCOCC1 1806698181 KXEDJWPLAMUNTJ-TZIWHRDSSA-N 437.305 0.508 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362008 YSCIQFZICRXRFA-BSIFCXSSSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364986 VXTYHYPUUFKNAX-FXAWDEMLSA-N 447.256 0.557 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369756 UPPDPNMSZKVZQA-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369908 YUXADDMTOWJZSC-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1cnn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1 1807671155 JVAAMKPHKHWTKS-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]2c2cccnc2)CN1 1808678753 NEBRIENRDMYDPB-DHMWGJHJSA-N 427.274 0.914 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccnn2)[C@@H]1c1cccnc1 1810729763 XGNXRRXIJNTQTG-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1)CC2 1819794804 DZCABAGHMNLYDI-LLVKDONJSA-N 438.473 0.471 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1820165666 LMLJAQCBPGPKBG-SJCJKPOMSA-N 442.614 0.557 50 20 ICGD CC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820856558 FVPUCUZAPGSUTG-CABZTGNLSA-N 433.860 0.859 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415324 YLYZWQCNOCRGMT-UKRRQHHQSA-N 433.513 0.466 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004156 QCUNIXJYXXFPNV-PTZCXBDSSA-N 436.307 0.338 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1823806362 QWNAVVBINOOQBR-QFIPXVFZSA-N 441.381 0.942 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825641524 IJRPFKAPNILELG-VGMNWLOBSA-N 432.344 0.431 50 20 ICGD O=C(CC[C@H]1CCOC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827318568 VMMWYAHFZWKBQI-XJKSGUPXSA-N 443.334 0.865 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829539273 UOGIULXRTIEZEK-LJQANCHMSA-N 438.293 0.409 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731570 MIDLUUNSYCCHKH-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1831654958 ZHGMCEAPUWHPJA-HNAYVOBHSA-N 426.901 0.107 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCS(C)(=O)=O)CC1 1832398961 CJGMDVUVLXGGPI-QGZVFWFLSA-N 444.598 0.414 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834597131 VBPITHFSYITCPX-BBRMVZONSA-N 433.230 0.400 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1834775040 MFTXQOOAFNGYFI-WYIDIVSCSA-N 437.320 0.798 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835977179 XEUPWUQWGMRUBE-LRDDRELGSA-N 449.733 0.776 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n[nH]1 1838656147 VXVGPRLYRWODNQ-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198913 FQONNOOKOAXJCG-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839317547 IONMHARIVFGRFK-KXBFYZLASA-N 430.860 0.855 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)on1 1840031024 DCZFDPNTNXXEHP-SUMWQHHRSA-N 430.299 0.765 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cn1 1840150193 HBLAPVSZUUBPPP-XLIONFOSSA-N 425.913 0.968 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)ccn1 1840187692 QNKQRWXSRHWQET-SFHVURJKSA-N 445.303 0.914 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841432214 JYLFNUULXMFWDK-UONOGXRCSA-N 433.933 0.719 50 20 ICGD CCOC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843014572 ADGMCOCUNKMWLI-UHFFFAOYSA-N 436.273 0.674 50 20 ICGD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1)C(=O)O 1844692265 CMERUBJTGQCTIT-OAHLLOKOSA-N 448.432 0.400 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1846364099 YHBOCFMFKIENOB-KBPBESRZSA-N 433.933 0.719 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 16785850 UPFQZLSWSUOHMZ-OAHLLOKOSA-N 440.481 0.641 50 20 ICGD CN(CC(=O)NNC(=O)c1cc(Br)c[nH]1)C1=NS(=O)(=O)c2ccccc21 23915110 UUTQDBFZQCNJRQ-UHFFFAOYSA-N 440.279 0.619 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@@H](C)O1 728960239 XJENJRWJHMFVLM-IYBDPMFKSA-N 433.557 0.911 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 730206703 ZOGKDUGUIVOBIJ-AWEZNQCLSA-N 448.476 0.890 50 20 ICGD O=C(NNC(=O)c1cccc2ncccc12)c1ccc(S(=O)(=O)N2CCOCC2)o1 730225566 LHSRFCSVCBXTFG-UHFFFAOYSA-N 430.442 0.924 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)cc1Br 732174093 UPCFXMMCNQNNID-UHFFFAOYSA-N 446.323 0.811 50 20 ICGD Cn1c(NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 733260841 BOTWZWXEUZVIRI-UHFFFAOYSA-N 446.445 0.653 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cn1 735446067 SVXUSCYJZFKFCC-UHFFFAOYSA-N 427.433 0.560 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)ccc21 735636784 OFOBPRVFLSNITN-UHFFFAOYSA-N 446.467 0.972 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 740851315 YPZBWMSMYXFLCB-UHFFFAOYSA-N 437.541 0.966 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)o1 744719229 RKCWCNLLSNLWPV-UHFFFAOYSA-N 448.457 0.846 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 745861603 CQBSXRWVDYCJDQ-HNNXBMFYSA-N 425.555 0.308 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)o1 746391911 IHYRDUOYQGCOMM-UHFFFAOYSA-N 442.270 0.607 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 747612320 POLCELVFBQKQLQ-UHFFFAOYSA-N 446.235 0.480 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751281241 CELZUNLYUKNYTB-UHFFFAOYSA-N 431.517 0.200 50 20 ICGD O=C(CN1CC[C@H](N2CC(=O)Nc3ccccc32)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 759894831 FRHBDHZATYWHBL-INIZCTEOSA-N 438.444 0.889 50 20 ICGD COc1ccccc1C(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 760916322 XGQUJJCJMBQFGO-UHFFFAOYSA-N 432.502 0.957 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763674252 OBALYDUCAKQPFB-HNNXBMFYSA-N 437.456 0.948 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2=S=C3CCCC3=C2)cc1 763785266 NBIXVYXJYDDSAT-UHFFFAOYSA-N 437.481 0.939 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc2)CCO1 763806277 AOYRSKXNTNQOQB-OAHLLOKOSA-N 437.456 0.948 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)n1 763892643 GNIVLQLLSLNYEO-IRXDYDNUSA-N 442.520 0.895 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764033786 PISDTAGDGOIYKZ-UHFFFAOYSA-N 436.515 0.860 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)c1 764101398 QPXZMAJINQVDSY-UHFFFAOYSA-N 432.853 0.832 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)c1O 764132808 RAAUZLKLQFSAJN-UHFFFAOYSA-N 440.416 0.917 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764191819 HUQCZRALGPJSAO-UHFFFAOYSA-N 430.486 0.945 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 764421150 GGJUFPNXTUYNCY-UHFFFAOYSA-N 438.362 0.714 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cccc21 764424298 HRYGPXNCKASOLQ-HNNXBMFYSA-N 434.449 0.486 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 764427865 DETZAMNSIKHPTD-LBPRGKRZSA-N 442.400 0.913 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C1 764434785 RJAAVTQIHXSISO-MRXNPFEDSA-N 448.476 0.481 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(=O)n1C 765816281 KMAKMIYUIKBHER-GHMZBOCLSA-N 429.315 0.717 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccccc3S(C)(=O)=O)CC2)cc1 766643168 JZWBVKKIGNBZSC-UHFFFAOYSA-N 444.557 0.977 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c1cccs1 767271356 ZUDTUFZWMQRLTR-UHFFFAOYSA-N 439.515 0.658 50 20 ICGD CSCCNC(=S)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 770245508 FYLDDPNEEVGYPQ-UHFFFAOYSA-N 438.622 0.170 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)nc21 770979803 KQEAYZYCCQXQNN-STQMWFEESA-N 431.453 0.494 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1nc(O)c3cnn(C)c3n1)C2=O 770980849 UQRUEMMVNDFDGA-GIGQVBGESA-N 430.469 0.649 50 20 ICGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 771946596 IZDSWMFDKCHTMM-UHFFFAOYSA-N 430.465 0.388 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 772097630 PJYMOVYDSOPANN-DZGCQCFKSA-N 433.461 0.936 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 773861025 AIPOBVNICLWLCK-OUAUKWLOSA-N 430.918 0.265 50 20 ICGD COC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776176966 GKWXDHMUKKRNOO-UHFFFAOYSA-N 441.506 0.448 50 20 ICGD CN(NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776212266 IKCONJWNBJMLKQ-ZDUSSCGKSA-N 433.531 0.046 50 20 ICGD O=C(NNC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccc(-n2cnnn2)cc1 777412002 LFUISSYGTDQXJM-NSHDSACASA-N 426.359 0.017 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778686753 LGOXVANOLIZQKS-UHFFFAOYSA-N 426.520 0.837 50 20 ICGD O=C(NNc1ccccn1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 779009765 FFXDFFFZKOVZRH-ZDUSSCGKSA-N 425.492 0.696 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccccc2Cn2cncn2)nc2ccccc21 782894569 PDSBQOHYOXSOTN-UHFFFAOYSA-N 432.444 0.542 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccc(C(F)(F)F)nn2)c2ccccc2O1 784888610 ZZHCTQXCLMFHGZ-LLVKDONJSA-N 425.323 0.906 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 786997417 HCRFIAQEIYYMKT-GOSISDBHSA-N 446.504 0.013 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1C 797008297 UVBBALOMTCZVKF-UHFFFAOYSA-N 425.348 0.122 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccoc2C2(O)CCOCC2)c1 798150661 BNIOCEWYYJCQND-UHFFFAOYSA-N 437.474 0.603 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 805751975 UOMLPFYXSMUWPO-MHTXLSKPSA-N 439.925 0.649 50 20 ICGD O=C(NCCc1ccc2c(c1)OCCO2)NNC(=O)c1csc(N2CCOCC2)n1 806991950 NEVXYODGRXNTOY-UHFFFAOYSA-N 433.490 0.938 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033451 TYCXZCXWPQMNOD-UHFFFAOYSA-N 449.489 0.875 50 20 ICGD CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1Cl 815778124 CVXTWGUCUNBBTH-OAHLLOKOSA-N 440.884 0.852 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)CCN1 914456998 LFAKHCFIMLBQLW-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 916830527 DTOMNTFMTWKUIV-UHFFFAOYSA-N 443.485 0.600 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)cc1[C@]1(C)NC(=O)NC1=O 917719908 CTADWGDAOLGAPV-SFHVURJKSA-N 439.494 0.575 50 20 ICGD COc1ccc(C(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)c(OC)c1 917836753 UCBUPEXHZMZZOT-UHFFFAOYSA-N 432.502 0.984 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 917940570 BOIPSOACKJWAAV-QWHCGFSZSA-N 426.470 0.652 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 919689043 RQNZAGMDQPFZFD-UHFFFAOYSA-N 440.437 0.705 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 920048379 AGNNEELXVCRUGI-UHFFFAOYSA-N 434.478 0.206 50 20 ICGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 920434143 QQCXYNWNCBSKMV-UHFFFAOYSA-N 443.489 0.089 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 920832857 IAFRNPAODXTTNF-UHFFFAOYSA-N 434.540 0.390 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1 920858277 GMFFWHOSCFZWNH-CYBMUJFWSA-N 425.467 0.816 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 921234717 HUGDISATKGETNH-UHFFFAOYSA-N 427.255 0.650 50 20 ICGD CS(=O)(=O)Nc1ccccc1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1338823299 BNOPETXONYZMKH-UHFFFAOYSA-N 439.519 0.355 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777968044 FYKSWXZVKCNLIP-YYAJDYIMSA-N 444.985 0.781 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779543951 URJFDUMGVFTJRT-WIYYLYMNSA-N 448.401 0.345 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccs1 1781326779 UKRFAEJAXMARIA-CJNGLKHVSA-N 448.314 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccco1)C2 1782209065 JALXRLJHQHHZNW-IIBYNOLFSA-N 434.493 0.349 50 20 ICGD COc1cccc(CC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1783640770 QWELSNFNPONBQK-HSZRJFAPSA-N 446.548 0.749 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783884128 QNHNUMXASXHJGS-XAFSDANYSA-N 440.880 0.900 50 20 ICGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1F 1786982250 UJQNJOZSULSDTM-VDGAXYAQSA-N 440.280 0.721 50 20 ICGD Cc1csc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788611505 GZKAIOYPZFYXGL-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccoc3)C[C@@H]21 1788611613 MIYVSZQJKRFOHZ-BYXVVSMXSA-N 439.472 0.585 50 20 ICGD COc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789463800 SDCDEMCVUJZFCJ-LRQRDZAKSA-N 438.289 0.282 50 20 ICGD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924899 GUMYFVVETFKDSO-PJSNJIKXSA-N 427.336 0.771 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115770 XEQQHUMDMXYTNH-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(O)cc1O)c1cccc(B(O)O)c1 1800289035 DTKUZMPVNSIORY-QDMKHBRRSA-N 444.680 0.997 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1802337064 FJPIKCQRSQCKIZ-GEYWLOKFSA-N 443.504 0.732 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805246994 VUONPWKQIXVWJZ-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806106902 LXFNRWZEFQMNGB-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCSC(=N)N)[C@H]1c1cccnc1 1807127034 MQXXVTVBNCTRJL-HNAYVOBHSA-N 449.581 0.477 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807365148 RSMFMHLXQVUZCH-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cn1c(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cccc1=O 1807987122 ZCAPXSHIGYKETO-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD Cc1noc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809976572 HASOKWOVKNLXBW-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 1810295021 PEVSVFOMIAWWIV-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1812867575 JPZRVCDDMCVENN-YEWDVWPNSA-N 449.305 0.796 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CCCOC1 1814155614 QXDVAKQYSNHTQZ-ZJOUEHCJSA-N 437.305 0.508 50 20 ICGD Cn1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354609 LRXYCQHOWNIMJN-AWEZNQCLSA-N 439.306 0.025 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)no1 1815868788 NLBMZPYGWROELZ-INIZCTEOSA-N 438.253 0.330 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1825994112 HWSWYIMZEHUUSG-MNOVXSKESA-N 440.909 0.624 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1826085144 GVEAPRSJBNLVIW-ZDUSSCGKSA-N 449.581 0.710 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732505 ZFQATQCXKUUHMU-KDOFPFPSSA-N 448.303 0.170 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833240474 WWKHPFJPCPMZBG-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834418124 GEKWRTBCCMXKLT-BBRMVZONSA-N 433.278 0.664 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834958510 CZFFWFJEQOXAMW-LPHOPBHVSA-N 430.860 0.261 50 20 ICGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)CC1 1835080202 LTDLROGHUPFUHP-LJQANCHMSA-N 431.984 0.730 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835248431 ODJSZZZOYGPFEB-PBHICJAKSA-N 437.331 0.279 50 20 ICGD CC(C)(O)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736822 IYZKTMACXPYWQS-UHFFFAOYSA-N 446.552 0.031 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835796280 ZSOMGTFHRLUEOC-KRWDZBQOSA-N 428.587 0.647 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836886353 AIWJMXLOBSAHAW-IIBYNOLFSA-N 446.353 0.386 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1837588650 BDOJGUXIZAGIGA-ZBFHGGJFSA-N 433.278 0.408 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)N1 1837782682 ICSIFZWLIHOUMO-UKRRQHHQSA-N 434.306 0.954 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654963 PJFUYTPZGONJEY-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1=O 1839198324 BZXZEUGORJHGFJ-SUMWQHHRSA-N 446.273 0.146 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)nc2nccn12 1839548899 PKDJXYVXPANAIN-KDOFPFPSSA-N 425.848 0.642 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840037142 UVPAJMZDZLGQPB-HEFFKOALSA-N 439.310 0.730 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1840151813 OCQUUTHWEPBQGJ-GUYCJALGSA-N 432.930 0.099 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840154684 COLJUWBHWPLAKO-DNVCBOLYSA-N 430.860 0.855 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190008 XNGZBPJGVOYYCC-ZBEGNZNMSA-N 427.281 0.808 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193504 JREILHMNGYAKNN-CVEARBPZSA-N 443.349 0.497 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840658622 DABRJYLLJNOMID-LAUBAEHRSA-N 438.908 0.681 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840886238 XMEVUCXKCDGRMC-LIRRHRJNSA-N 434.917 0.286 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841355414 NJPOFUBMQMATRO-HNNXBMFYSA-N 445.325 0.344 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(C(F)F)n1 1844264115 GORJTNTXUSMBGI-UHFFFAOYSA-N 433.419 0.487 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1847149819 CKQRAWPRCBKMFG-UONOGXRCSA-N 431.917 0.425 50 20 ICGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 22411061 LZXARNRVGTXXTO-UHFFFAOYSA-N 437.297 0.058 50 20 ICGD COc1ccc(CN2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725871414 KXMZVGNZPLTNLS-UHFFFAOYSA-N 429.477 0.967 50 20 ICGD COc1cc(C(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC(F)F 728178370 AIRYTCHETYZMJI-GFCCVEGCSA-N 435.449 0.519 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 728472631 DEUAHOWDSXQAGS-OAHLLOKOSA-N 443.485 0.823 50 20 ICGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccs1 733876494 VOADQUOAUATFOC-UHFFFAOYSA-N 446.532 0.360 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 734222298 RTNNNVBOEFFDLG-UONOGXRCSA-N 438.554 0.879 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NNC(=O)c2cnn(C)c2)c1 735446442 YJCRSTLIJRAVNU-UHFFFAOYSA-N 434.522 0.736 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 738300424 WTMNMRXIGNDZMM-CYBMUJFWSA-N 432.493 0.853 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742478005 LPVBIQINPIIMQA-BBVCAZISSA-N 431.445 0.162 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 744941053 XDZWYSFNSNRKSJ-UHFFFAOYSA-N 426.341 0.856 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1OC 745905415 JJRKRQCCOQETMN-AWEZNQCLSA-N 430.465 0.885 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 746214393 AKSWUPCOQNZCFN-NSHDSACASA-N 427.299 0.629 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)C1CC1)c(=O)n2Cc1ccccc1 747906544 HPHBNSWAVADEGE-CQSZACIVSA-N 438.488 0.621 50 20 ICGD CS(=O)(=O)c1ccc(NNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 748131450 NEXQUMFLWPYTRF-INIZCTEOSA-N 444.469 0.464 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 748466370 HJPUCKQCUDJRCO-UHFFFAOYSA-N 441.448 0.673 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 751207121 RZOSIKWYADQJDN-OAHLLOKOSA-N 434.474 0.400 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753691334 BDHZKGXJBMFUNE-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 755048833 GSXRJEXDAQMQOG-ZIAGYGMSSA-N 445.501 0.855 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C 755847886 YYPKJZPTKIOLLG-CYBMUJFWSA-N 440.460 0.869 50 20 ICGD Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046209 FYWFLJZLBIOGTK-VIFPVBQESA-N 431.312 0.866 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 758164350 VDYPCEWDAPQULK-UHFFFAOYSA-N 426.520 0.456 50 20 ICGD CN(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786400 MDYJXVZUHJBJAL-ZDUSSCGKSA-N 449.574 0.586 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1 760196102 QDWXRGNVSXKGBB-UHFFFAOYSA-N 434.474 0.243 50 20 ICGD O=C(CNC(=O)c1cccc(Br)c1)NNc1nccc(N2CCOCC2)n1 762849347 ZEQYNTCHYXEDNE-UHFFFAOYSA-N 435.282 0.949 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 763486697 UCGKNEGHFYJYKC-CYBMUJFWSA-N 437.815 0.938 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)n1 763538567 DDYSSFJOFZYZFB-UHFFFAOYSA-N 434.405 0.524 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1C 763666098 AQQCMGYUZQSJPU-UHFFFAOYSA-N 434.474 0.424 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 763745424 FHVCULIVIUEKJM-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 763796117 IONOYMDRHNVZTO-UHFFFAOYSA-N 449.489 0.982 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)c1cccc(Br)c1 763824438 PUYQMCRPQVWPKB-UHFFFAOYSA-N 434.250 0.151 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)n1 763892211 BFPYUIVBXWZGGL-UHFFFAOYSA-N 426.477 0.830 50 20 ICGD CN1CCN(CCOc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2)CC1 764171212 IFDHVNKQCIZCAH-UHFFFAOYSA-N 443.504 0.625 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1NC(=O)c1cccc(F)c1 764210387 CUKXLDMQOKJYOF-UHFFFAOYSA-N 431.424 0.734 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 764399061 YYGFCRGARNPYBG-SECBINFHSA-N 447.242 0.803 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc1 764405996 WXVKXBXTCTYIMF-UHFFFAOYSA-N 440.456 0.155 50 20 ICGD C/C(=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 765725464 SHYZXSGFWGRLMY-YRNVUSSQSA-N 430.852 0.338 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 766644416 VMFXWXXJMFOWRW-GOSISDBHSA-N 441.532 0.383 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cc(C)[nH]n3)CC2)cc1 768279152 ZZCMSJGMLWSWCD-UHFFFAOYSA-N 433.490 0.783 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNc1ncccn1 773718402 FUORGVVKJUUDTA-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H](CO)C[C@@H](O)c1ccccc1 778651124 UFGQLWNVZMPFLG-ZWKOTPCHSA-N 428.493 0.508 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 784002933 XPMGHPGLEJBZSO-UHFFFAOYSA-N 438.400 0.723 50 20 ICGD CCCN1Cc2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2C1 784004272 DKSPNVDTSUNLIL-UHFFFAOYSA-N 429.502 0.990 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789812242 JDSYEJUFVAYFRS-RDJZCZTQSA-N 428.445 0.765 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1 801105469 FMCCSTPLKWYCDX-NRFANRHFSA-N 429.477 0.972 50 20 ICGD COC(=O)N(C)NC(=O)C[C@@]1(C(=O)NN(C)C(=O)OC)CCN(C(=O)OC(C)(C)C)C1 804124955 POMRNNKPYFZAPY-SFHVURJKSA-N 445.473 0.463 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CCS(=O)(=O)C1 807241998 OILFTIIJNUXRAH-PMACEKPBSA-N 449.533 0.793 50 20 ICGD Cc1ncc2n1CC[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C2 810414444 UEGKXYYMWNDBBU-HNNXBMFYSA-N 433.538 0.228 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 812560607 LJWGZTNWTLDGGG-CQSZACIVSA-N 447.492 0.938 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)sc2c1CCCC2 815692530 TVWHTZUKAZIXTP-JTQLQIEISA-N 446.489 0.354 50 20 ICGD Cc1nc2c(cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)c(C)nn2C 914594588 WNJFECZFQCSMIT-KRWDZBQOSA-N 439.428 0.729 50 20 ICGD Cn1c(=NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)sc2ccccc21 914604962 HMERTBJQNFSXNQ-UHFFFAOYSA-N 433.471 0.427 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cn1 915056448 IQSYYWPCOHPCSP-UHFFFAOYSA-N 425.536 0.880 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1nnc(O)c2ccccc12 916091921 LQJIMZGRLDNVHC-UHFFFAOYSA-N 432.396 0.368 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 916516813 LRDGREAHTHXSRX-UHFFFAOYSA-N 431.474 0.387 50 20 ICGD CCS(=O)(=O)N(C)CCCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 916580269 KWHPUUWQTWKSPI-UHFFFAOYSA-N 436.560 0.066 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888551 BEHPJBUISZXXNH-SPLOXXLWSA-N 448.907 0.631 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1779029282 QLNFUDVBOOFRFM-FQEVSTJZSA-N 446.414 0.116 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1779123073 OQEOCGICGUQZQD-BBRMVZONSA-N 447.261 0.233 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)C(Cl)Cl 1782215321 QUTGIVYAUZCTGJ-PIGZYNQJSA-N 443.291 0.349 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2)C(Cl)Cl 1782220922 GYVAOWFJOVEUOX-XHBSWPGZSA-N 427.350 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783870872 ICESZDGURGEYMY-TVQRCGJNSA-N 434.770 0.425 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933030 OSXZLQGYZWNXGY-SUMWQHHRSA-N 433.347 0.220 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21)[C@H](O)CCl 1784097188 RXYUTLSTVYGTHQ-WPUCRFQZSA-N 443.859 0.856 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1787508978 OQSVJGHMHXLKET-RAKJEAAFSA-N 441.492 0.066 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CCC1=O 1789921275 DWNQIEORMGKIKY-WRZDFSGXSA-N 433.278 0.265 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccccc1-n1nccn1 1790166019 GSRLJKQKNLFVDU-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD CCNC(=S)NCC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1791035267 QYTFBBGQLMUOSM-UHFFFAOYSA-N 448.593 0.978 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443559 IDWBDZYEAHPALS-RCJHGTSTSA-N 428.537 0.810 50 20 ICGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)cnn2c1 1799350372 XTKACHPNBOXKDM-XCCSTKFXSA-N 440.273 0.931 50 20 ICGD COc1cccc(OC)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1799562640 GWGMGXFSGWSLQQ-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1800978325 RUPUKPNTKPMOFD-LYIQGSDWSA-N 449.733 0.640 50 20 ICGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)nc2N1 1801016336 ZFXMKSBJHVOFDD-GNXNZQSNSA-N 427.288 0.973 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801171699 AZXJBCPVPCLMQT-ALOBAPJISA-N 436.317 0.448 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)Cc1ccccc1 1801799848 WCISVNITVLSYHY-AXVVYFOYSA-N 437.500 0.541 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)nn1C 1807365592 YYSFQDOHULGEAB-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807373305 AYIOOWYAPSLGNF-SIKLNZKXSA-N 447.304 0.057 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cccn2)[C@@H]1c1cccnc1 1807639032 UVODRQPDLSVHHA-JXFKEZNVSA-N 448.487 0.296 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808674914 AIIGDAJDXROSKW-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235811 NIIKZYHPANVSTG-ZDUSSCGKSA-N 447.505 0.978 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CO[Si](C)(C)C)n[nH]1)C(=O)C(=O)O 1819596673 ODALVWUQZPZQBZ-ZDUSSCGKSA-N 439.545 0.796 50 20 ICGD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822415856 JURMUTHLNPRIOY-KRWDZBQOSA-N 448.572 0.022 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056333 XFKAIYYVONUOGV-JXFKEZNVSA-N 443.353 0.514 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732190 VRYIQIOHCJRYJF-YJBOKZPZSA-N 446.957 0.007 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833145713 VBENCWTYJJBHHJ-ZDUSSCGKSA-N 446.390 0.613 50 20 ICGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cc1O 1833409834 NYILHPMZFGPVOI-IRXDYDNUSA-N 435.308 0.432 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1833447123 BIFPHQJOAJEMID-CZUORRHYSA-N 449.277 0.189 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1833509688 VOSHOQLODVQQFB-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD O=C(c1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834481857 SPPSVORIHNIFAW-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798142 WQGKXSNWHUNHHW-LJQANCHMSA-N 439.365 0.908 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC3CCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801547 WANYZAWNFYYHOM-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1834819825 YFJDMRZGYNLUFN-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835454600 GNPLGTHSYZTUJG-QNDYCBLQSA-N 441.435 0.232 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836365833 PQHUHMWDQBYSIK-HJPURHCSSA-N 427.354 0.598 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366632 PHZBGIMUYHFJSO-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)CN1 1838648536 YIRIQLWVCPBRSK-IAQYHMDHSA-N 434.306 0.812 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198147 VPGULMBOXBMCDO-KEYYUXOJSA-N 447.305 0.666 50 20 ICGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199982 BHNHILHKFPOJEY-BBRMVZONSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839966306 AJLAUDOZGSUFEQ-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)s1 1840032336 VQFKOCSFTRJENQ-ZBEGNZNMSA-N 447.355 0.629 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1840406345 UXVRGLAVFAIYCR-CKEIUWERSA-N 447.305 0.899 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840591115 LFVVQTGWIJDFDT-UKPHBRMFSA-N 437.306 0.950 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013137 NJVMXCGCYAMNHO-RTWAWAEBSA-N 434.301 0.996 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415572 YDJHSHWBOLPLHX-ZVHZXABRSA-N 430.509 0.486 50 20 ICGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1846257436 PZVRYXCFGGSCLC-UHFFFAOYSA-N 427.325 0.690 50 20 ICGD COc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(Cl)c1OCC(N)=O 14319624 VCJYCKLTVVDZMN-UHFFFAOYSA-N 432.820 0.924 50 20 ICGD NC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 17516956 KMORJXMRYVHFFK-UHFFFAOYSA-N 446.485 0.410 50 20 ICGD Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 22316908 SWMLPHQFHWDTED-UHFFFAOYSA-N 435.506 0.372 50 20 ICGD CC(C)N(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 109311591 ZNUASPUUMDDDGQ-UHFFFAOYSA-N 426.539 0.128 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 726245824 RONQKIZRQHAJEY-INIZCTEOSA-N 433.440 0.552 50 20 ICGD COc1ccc(-c2noc(CCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1 729274284 IZKCXQUXJCPSOX-NSHDSACASA-N 425.467 0.153 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(CC#N)CC2)c1 730673603 BJYZNKHUHIPHCQ-UHFFFAOYSA-N 436.538 0.649 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)c2ccccc2c1=O 732474874 MAFIBFUZRKURRZ-INIZCTEOSA-N 443.552 0.777 50 20 ICGD O=C(COc1ccccc1Cc1ccccc1)NNC(=O)NCCN1C(=O)CNC1=O 733658365 VOVLELWHWCAPFA-UHFFFAOYSA-N 425.445 0.538 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 741742782 JOXNHHUOTVNZGC-XJKSGUPXSA-N 427.417 0.164 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 746591908 QMEWJRPIARKMIP-UHFFFAOYSA-N 432.418 0.926 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)C(=O)N1CCCC1 748247167 VAIYQUOIOKMRAQ-UHFFFAOYSA-N 428.536 0.235 50 20 ICGD O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)C1=CC=CN2CCS(=O)(=O)N=C12 748338566 FQGDDTAFAXLIMM-UHFFFAOYSA-N 437.485 0.968 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(S(C)(=O)=O)CCCC3)cc2)CC1 748621060 XDHVKIXRAFMUDQ-UHFFFAOYSA-N 444.579 0.423 50 20 ICGD CCSc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756577337 SGGALZJQSQKIQZ-UHFFFAOYSA-N 431.478 0.399 50 20 ICGD CC(C)[C@H](C(=O)NNc1nc(Br)cn2ccnc12)N1CCCS1(=O)=O 758314984 IFUCAVBIKHRULU-LLVKDONJSA-N 431.316 0.995 50 20 ICGD O=C(c1cn(Cc2ccccc2)nn1)N1CCN(S(=O)(=O)CBr)CC1 758519345 ZPTAVKZDEREDJJ-UHFFFAOYSA-N 428.312 0.766 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 758660191 BLGIJJSAWYIFAI-ZDUSSCGKSA-N 435.506 0.718 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 762965359 WMWJGOWELFIBBE-GFCCVEGCSA-N 443.485 0.405 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2)n1C 763569889 CQEWQYUQWSKUPU-QGZVFWFLSA-N 436.428 0.716 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763576997 FUYVNPVUPQBOEK-KRWDZBQOSA-N 447.469 0.200 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763661861 DNLXVAXIDBZEAN-UHFFFAOYSA-N 441.444 0.385 50 20 ICGD COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764155145 WHCKWSRPMBQEGV-WTPASJBYSA-N 445.497 0.671 50 20 ICGD CCOc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)cc1 764203731 BLNZHDPVFIXDCC-UHFFFAOYSA-N 427.461 0.985 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc3ncccc23)c2ccccc2O1 764252087 AXKIMSMZRMNEIN-GOSISDBHSA-N 434.408 0.963 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C(=O)Nc1cccc(-n2cnnn2)c1 764270075 DRRXZUGNSHTIQS-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNc2ccccc2S(C)(=O)=O)cc1 765625832 BUBUCJOSMOZWIO-UHFFFAOYSA-N 426.520 0.966 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 767193422 LJVQGRGPKYVWEE-UHFFFAOYSA-N 443.489 0.072 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 771234335 IRGFNLOTRMHWES-QFIPXVFZSA-N 439.472 0.989 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNc2ccc(Br)c(F)c2)CC1 771310960 HXDZEDBNKWYVCT-UHFFFAOYSA-N 438.323 0.792 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(F)c(F)c1 777779415 KCMYVJVAHQAYNG-UHFFFAOYSA-N 440.266 0.521 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)NCCc1cccs1 780383270 DWMHZCJOILFRHP-UHFFFAOYSA-N 432.549 0.734 50 20 ICGD C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783425841 FAWKYOBECKCIRC-FQEVSTJZSA-N 434.518 0.637 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2ccccc12 783427221 NFAIWPPJWTWXRT-FQEVSTJZSA-N 449.485 0.528 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccnc1Br 784004196 UKEXRANOJJJYJC-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785066469 BIZNEIIWDYWYNP-UHFFFAOYSA-N 427.392 0.979 50 20 ICGD COC(=O)N1CCC(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 804867823 LRPJNZWUYHIHFF-UHFFFAOYSA-N 440.526 0.711 50 20 ICGD O=C(CN(CC(=O)NNC(=O)c1ccccn1)c1ccccc1)NNC(=O)c1ccccn1 812446289 WTGIDJNJDAKIHB-UHFFFAOYSA-N 447.455 0.205 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 818425909 ODXKDZVCFSOLNZ-OAQYLSRUSA-N 444.419 0.828 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)NNC(=O)c1cccs1 818682785 PFXJZMUBNAOSOA-UHFFFAOYSA-N 446.894 0.469 50 20 ICGD O=C(c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)N1CC[C@H](B(O)O)C1 864232460 ASHYQYOAWCVAST-NSHDSACASA-N 430.251 0.758 50 20 ICGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915187870 OOANMMJHDOMTKR-UHFFFAOYSA-N 428.444 0.420 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 916104931 FLLLRSOEOWRBDK-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C(=O)C1=O 916114386 QJUVSEGTLPFIHY-UHFFFAOYSA-N 435.440 0.947 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 919822828 MNIHFXJIZFSSFR-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)N[C@@H]1CCS(=O)(=O)C1 919887239 YJEZYAFFCBFFJO-QWHCGFSZSA-N 441.485 0.587 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)NCC1CC1 920889113 MBJPGWQKCYAXEN-UHFFFAOYSA-N 434.522 0.810 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNc1ncncc1F 1117730885 WQAHRWZOYSJHKW-CYBMUJFWSA-N 425.442 0.301 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CSc2nnnn2C2CC2)CC1 1318667920 NTXMWJMHTNJXHX-UHFFFAOYSA-N 425.515 0.895 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1C(=O)CCC1=O 1321487178 ZWSPHCMNYCZBBM-ZDUSSCGKSA-N 436.490 0.160 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778014976 YFCOCFYYOOZJAD-HWWQOWPSSA-N 426.844 0.864 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CN)C2 1778091496 SKKHUGAASNBCPG-BXOIWHIWSA-N 432.525 0.229 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779032329 JFGGIGMKKSJUEU-NRFANRHFSA-N 442.476 0.554 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1779037338 WLLLEDKQFPICCF-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371234 VNYHRQWAUQLCSE-IIBYNOLFSA-N 442.476 0.423 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1=O)C2 1782180060 QETKVSOYBIVSNZ-JXXFODFXSA-N 429.945 0.767 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632292 QAXWVUZLJKKPDM-UGSOOPFHSA-N 441.326 0.976 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]3C2)no1 1783852216 VBQPGUHAVNLTIZ-DZKIICNBSA-N 440.928 0.958 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933490 LDQGAMNLYSWOLX-QHCPKHFHSA-N 446.548 0.831 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1F)CCO2 1783936668 KPOAJVCSIJTMQJ-OAQYLSRUSA-N 436.484 0.407 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1783939440 FXLGDNPCQKRUKO-PMACEKPBSA-N 428.480 0.935 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1783973420 ALONSWRLTHZIPN-MRLBHPIUSA-N 430.343 0.523 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC(C)C)C[C@@H]21 1787508406 HZMVMMMLNGIJHZ-WVIPKZCGSA-N 447.536 0.914 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1791249959 UUVRMJXXGKOVMU-XSWJXKHESA-N 435.912 0.665 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2)c1ccc(B(O)O)cc1 1795732596 ACEHZZSCFLJIIG-HBCWATKFSA-N 446.671 0.676 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(F)c1 1795739713 FGCYTRWAYGHBID-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(C)(C)C 1796189927 MYDFMRXBHHPAIO-FCGDIQPGSA-N 429.326 0.169 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797058668 HTKGQECUOSNJAE-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)c(=O)[nH]c1C 1799347940 VCGDHOXBVYGMCB-NOHGZBONSA-N 431.262 0.280 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2)[C@@H](F)Br 1799349537 HXNSEOUHNGXJSA-YVECIDJPSA-N 426.246 0.852 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799412487 KVXJYWJJJCONBT-AHHPBITISA-N 442.426 0.753 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1799682505 VCTYXXKTYYOPHK-YXPYIKCWSA-N 445.589 0.271 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@@H]1c1cccnc1)[C@H](O)CCl 1803143129 UVXTVCMGFCJNGV-OUCADQQQSA-N 437.802 0.793 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361362 WVCDAGBEPUHAJA-PKOBYXMFSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncn1 1808511341 QIPBZEUCQHSZIB-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C1CN(CC(=O)N2CC[C@@H](CNC(=O)C(Cl)Cl)[C@@H]2c2cccnc2)C(=O)N1 1813075330 BLAAMYDSOFVOGZ-FZMZJTMJSA-N 428.276 0.443 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)c(=O)nc1O 1814875844 LUBFPNDZCVVZDM-STQMWFEESA-N 438.872 0.272 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cccn1 1815347518 BOGGWQLTIWWPIE-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817360474 SUJHQHVOEWWQNR-NHCYSSNCSA-N 429.319 0.778 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474223 BBTNIIIUAXCBEN-BOFPYLFWSA-N 427.314 0.769 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475873 XMQXJIFJSJYWCX-FUHWJXTLSA-N 428.298 0.802 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1817642151 PPMXQPIOPQSMLP-JTQLQIEISA-N 440.489 0.713 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662694 VBYQTVLNBUYROT-JGVFFNPUSA-N 428.312 0.962 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc[nH]2)CC1 1825641240 FOMJPAGAOFMWND-KRWDZBQOSA-N 425.493 0.955 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821921 ANQFAQLFGIMCNE-SNPRPXQTSA-N 431.375 0.982 50 20 ICGD CC(C)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830726670 SOCBLFNWIGICOF-FXAWDEMLSA-N 431.961 0.163 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1832575907 ODZOOEOTGKNPFF-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621078 IRLACTGFZUPOSV-UHFFFAOYSA-N 440.661 0.742 50 20 ICGD CC(C)(F)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834648215 VIFRBCHOHFQWTB-UHFFFAOYSA-N 434.516 0.618 50 20 ICGD O=C(CC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935009 BVDJISUCDZWLAK-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1835988277 MIVSCISUJFHBJH-NVXWUHKLSA-N 447.305 0.500 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1837920354 OJAOQUOKTQFWOV-QGZVFWFLSA-N 426.681 0.513 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1840156650 RQVQFMBUWCDGPH-ZWOKBUDYSA-N 431.961 0.569 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183274 WXGDOULTEWFMKI-JOCHJYFZSA-N 438.569 0.808 50 20 ICGD O=C(CCN1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840940622 UIKNXRPVWUHJSJ-NVXWUHKLSA-N 436.322 0.619 50 20 ICGD CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cn1nc(C)cc1C 14375019 GXPBWIOUWVCNRE-MRXNPFEDSA-N 446.533 0.945 50 20 ICGD Cc1nnc(SCC(=O)NNC(=O)CNC(=O)c2ccco2)n1Cc1ccccc1 725740478 WFIKXTKMSPQNQM-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872165 BONPSTSBYGBULQ-UHFFFAOYSA-N 439.519 0.259 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1 727240568 PXVPQHQGCVYQPG-UHFFFAOYSA-N 438.337 0.515 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214601 BPDRUPIALFXVSD-UHFFFAOYSA-N 432.568 0.137 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N3CCNC3=O)c(C)c2)n1 728729273 KMYVRBUPXXWRAZ-UHFFFAOYSA-N 431.474 0.836 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730034058 PHFRFOGOEYHKGZ-UHFFFAOYSA-N 433.486 0.807 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)n1Cc1ccco1 730569843 AHNPAOYUORYVKN-UHFFFAOYSA-N 430.490 0.781 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCCC2=O)cc1 730571240 OYYNAHNHQKNUOB-UHFFFAOYSA-N 430.490 0.238 50 20 ICGD CN(C)CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 741282723 LHSATTZCZVHVPG-CYBMUJFWSA-N 434.356 0.752 50 20 ICGD CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 742470982 ZEUKWVFILATABK-SUMWQHHRSA-N 448.501 0.967 50 20 ICGD CN(CC(=O)NNC(=O)c1cc(Br)ccc1O)S(=O)(=O)c1cccnc1 743730149 PGWIOXSFXRGUEH-UHFFFAOYSA-N 443.279 0.631 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1sccc1S(=O)(=O)NCc1cccs1 751385943 ARDRTDRPZVMRPV-UHFFFAOYSA-N 430.533 0.975 50 20 ICGD CCOC(=O)NCCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 751549199 RIWKBQUFLPHYRS-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)cc(OC)c1OC 753562485 HTZMKJSBRAGQJQ-UHFFFAOYSA-N 441.462 0.939 50 20 ICGD CN1C(=O)C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 755094265 UBVDIJHKEWHSHJ-HIFRSBDPSA-N 425.848 0.704 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 755187444 XDBZJOROCDCUNK-HNNXBMFYSA-N 448.476 0.507 50 20 ICGD O=C(CC1CC1)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755535962 PMCYGVLYGZFMSL-ZDUSSCGKSA-N 430.508 0.105 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 756279764 HHVAATHQQQHQCA-JTQLQIEISA-N 435.959 0.984 50 20 ICGD Cc1cn2ccnc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2n1 761401339 QYWALXBCKAPREM-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 761661344 AWQCQJAQIMMEBJ-UHFFFAOYSA-N 429.506 0.458 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(CS(C)(=O)=O)c2)n1 762083522 UBRMINHLZQOBDJ-UHFFFAOYSA-N 425.488 0.543 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCCC[C@@H]1N1CCOCC1 763539837 XCEKFHFJBZPHDA-HOCLYGCPSA-N 438.554 0.567 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763571269 LNGODLWQMOJKBT-QGZVFWFLSA-N 428.401 0.580 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 763630209 WFCREMDAKWTEMV-UHFFFAOYSA-N 438.444 0.557 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 763681433 GENLTSCKLBHGGN-UHFFFAOYSA-N 442.403 0.640 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 763803737 NHGUWIGGUXYZDF-UHFFFAOYSA-N 441.400 0.887 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1ccc2ncccc2c1 763824232 LXDDNKFWGISNSX-UHFFFAOYSA-N 430.428 0.710 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cn1 763975115 DMVBISOJLSDPIE-UHFFFAOYSA-N 444.448 0.896 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 764131062 DGUSXWKINAXZFB-UHFFFAOYSA-N 434.474 0.420 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 764176253 DLIQKSZGPQJOQY-UHFFFAOYSA-N 429.458 0.517 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1OC 764177330 NMJVOOAUKZHUNY-UHFFFAOYSA-N 438.462 0.769 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764204142 SUMLTPNDDOKMDI-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 764295259 LOFBRGHBUQXSQJ-STQMWFEESA-N 426.495 0.086 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 764401860 YESIXTZGARSXFF-ZDUSSCGKSA-N 427.417 0.883 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)COc1ccc(F)cc1 764552181 KBKBOWSXBNXWEI-UHFFFAOYSA-N 430.440 0.271 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc(F)cc1F 765119090 PNEXFARWVSZORJ-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1S(=O)(=O)N1CCCCC1 765372948 DZNVFEPXVNTFPK-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 776625134 UTONKZJUGSQINY-CQSZACIVSA-N 434.540 0.205 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780389539 DNQWYLYSRGLRMW-UHFFFAOYSA-N 425.488 0.759 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)nc1 783264984 VGSGOLNJLJZMHJ-UHFFFAOYSA-N 446.489 0.735 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3c(C)cc(O)cc3=O)CC2)cc1 783676042 LRVGMQDLWAUABB-UHFFFAOYSA-N 441.532 0.526 50 20 ICGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cnc21 784005403 ZGHKMSBSQDZUDY-UHFFFAOYSA-N 429.462 0.590 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784174018 JQTLEGFKFWTSCD-QGZVFWFLSA-N 435.448 0.193 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)n1 788331001 OLJBMLQIENZINI-UHFFFAOYSA-N 427.870 0.343 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1C 789375293 SDYALMLWGWXJNM-CQSZACIVSA-N 428.580 0.880 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccccc2c1=O 791175472 DXBJTJKUZXNXSD-ZQIUZPCESA-N 444.517 0.420 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c(C)c1S(=O)(=O)NC1CC1 792394911 RSFJUNLWRWVXDD-UHFFFAOYSA-N 443.489 0.869 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C)n2)c2ccccc2O1 797369879 OWEXYIANCRDHDU-QGZVFWFLSA-N 425.445 0.471 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)c1 800623703 VETGDZBWFRHYET-UHFFFAOYSA-N 447.451 0.715 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 801172309 RSSHRPXCVOAPPE-UHFFFAOYSA-N 441.532 0.994 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CNS(=O)(=O)c1cccnc1 810406219 YAMGFLMWUBPRJU-UHFFFAOYSA-N 441.535 0.580 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(F)F)c(=O)n2Cc1ccccc1 814889740 QMEKBQZEBGBJIA-UHFFFAOYSA-N 434.403 0.231 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1I 815515343 APVJAJLBGCSHGY-UHFFFAOYSA-N 434.215 0.704 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 846755373 MNFCIYYEOVNHBR-UHFFFAOYSA-N 433.486 0.976 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1sccc1-n1cnnn1 915275148 ODGRUKJUPBCVRJ-UHFFFAOYSA-N 426.506 0.697 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3COc4ccccc4C3)nc2)CC1 916636119 VXNVQUCSUQGUST-MRXNPFEDSA-N 446.533 0.648 50 20 ICGD O=C(NNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(-n2cnnn2)cc1 918001659 DYAXWNDTYCMYNV-UHFFFAOYSA-N 437.420 0.747 50 20 ICGD CCO[C@@H](CC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919975431 FVTWCTAZWSRRKQ-KRWDZBQOSA-N 427.523 0.603 50 20 ICGD CCOc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1O[C@@H](C)C(=O)N(C)C 920384148 ISPMAXALUAGUMN-DZGCQCFKSA-N 440.522 0.761 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 920832901 MVFNATAPBBWORO-UHFFFAOYSA-N 444.329 0.382 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CCl)C2 1779197051 FGFRBJPKHGAUAD-ZXYWRSMDSA-N 433.933 0.830 50 20 ICGD CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779224912 PSPXUMUUJATKGW-YRJQNMBXSA-N 444.598 0.032 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 1780715890 WPROVTDUDFSYQL-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD O=C(Cc1ccc(Br)nc1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780870320 MZZUGCBXZHJWKK-DYVFJYSZSA-N 446.729 0.816 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C)CC1)CCO2)NC(=O)NCc1ccccc1 1780970627 ZBCLUJJILICLCJ-QHCPKHFHSA-N 443.548 0.963 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2)C(Cl)Cl 1782220868 CGCBFVJWNLBBIA-PIGZYNQJSA-N 433.292 0.879 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934020 SGTQFSPKMOVQQB-QFIPXVFZSA-N 432.521 0.441 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784791282 SMQSCXWLRDYFLV-IJTBFJJCSA-N 433.534 0.846 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981678 FKYONPJIKFYKSA-MATMOTHZSA-N 426.322 0.706 50 20 ICGD CC1=CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1788101055 NVPHIRJEJTVAJN-GIUOSPMZSA-N 426.322 0.706 50 20 ICGD Cc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609935 DVMRICNKHVPPMR-YSSFQJQWSA-N 437.500 0.901 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788720423 OWNOYSGFFLQVEO-YXMSTPNBSA-N 442.358 0.925 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788854598 ONEDPUBWJYWAIS-ARQYOALSSA-N 439.476 0.204 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4c3)[C@H]2C1 1790433214 LUNLGGNHVKKUTC-SNRMKQJTSA-N 442.520 0.301 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793372445 YCOIIKMFKSMUMC-HPCHECBXSA-N 439.372 0.430 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1Cc3ccccc3C1)C2)c1cccc(B(O)O)c1 1795740636 CXFWSNSJMXXHSF-RUMRUAAYSA-N 448.328 0.375 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc2ccc(F)cn12 1796189440 NWHBSWBLJQTKDC-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192021 BPDAYBSLVDVPOJ-USYVTKNRSA-N 440.305 0.374 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800644379 RNVKEXYOAMLIEN-FRJNNAICSA-N 435.315 0.365 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012315 UXIPZMRUVCNMNA-XCRNZQRYSA-N 441.532 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CSC(=N)N)[C@H]1c1cccnc1 1807009177 QDGUFIBQERPFGM-RDTXWAMCSA-N 435.554 0.087 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807468749 IHBCNKNWGFQESK-UWJYYQICSA-N 449.276 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807869564 HEWAIHZJXCYWFE-KNRTUPFFSA-N 449.475 0.653 50 20 ICGD CN(C)c1ncc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)o1 1808024540 KOUDLIYYZVYWGG-UHFFFAOYSA-N 440.309 0.579 50 20 ICGD O=C(CCc1cncnc1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810080391 KNJFDJIDVBGAMR-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070013 CHGMEFBFSDHKAQ-DNVCBOLYSA-N 428.497 0.201 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(C)(C)C)[C@@H]1c1cccnc1 1813071395 PHNJMPNFJMIPMS-DYESRHJHSA-N 432.569 0.849 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1813072782 KLAVSCFYDLBLOD-XGHQBKJUSA-N 444.536 0.081 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)[C@@H]1SC(=N)NC1=O 1814871003 HNXHNFIKNJTEJZ-WHIUSJLISA-N 442.929 0.804 50 20 ICGD CN1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815336017 XDEGRBZRBOPCCA-INIZCTEOSA-N 442.350 0.391 50 20 ICGD Cc1ocnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344380 WNEWUDYEDMYPQZ-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n1 1819795362 LXLGBOQHSMDDFC-JTQLQIEISA-N 440.489 0.415 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822705214 LWSBAOGFQZLREG-MELADBBJSA-N 444.001 0.945 50 20 ICGD O=C(CN1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049278 QNVYSJNEDVEXDB-OAQYLSRUSA-N 427.354 0.696 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736844 BEWNSGQLJHBTRH-KXBFYZLASA-N 430.860 0.504 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831452081 MQJBPAGKZQYQQA-MPGHIAIKSA-N 438.974 0.531 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1832067146 CKXNYAILWWFRKK-INIZCTEOSA-N 425.530 0.335 50 20 ICGD Cn1nc2c(c1C(=O)N1CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC1)CCC2 1833312275 OHHKJYVTWUEYFP-GOSISDBHSA-N 437.972 0.694 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634158 CRBIFHQPYLTEGU-HNNXBMFYSA-N 431.375 0.820 50 20 ICGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCCCC1 1835931739 AFHGHGVWEFOSDW-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncsc4[nH]3)CCO2)C1 1837754435 XYAAYDNJQMUSGR-KPZWWZAWSA-N 442.925 0.948 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820848 DLFQDYUFYLGZJF-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnoc3)CC2)CC1 1837919270 AIXRLCJNNWURJR-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838268275 AEOGLQOIIMOIGC-DNVCBOLYSA-N 429.876 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838268276 AEOGLQOIIMOIGC-HNAYVOBHSA-N 429.876 0.853 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839196968 AWLCYGAMAMCRFJ-XEZPLFJOSA-N 438.294 0.048 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840034108 AKIFIXWIYQEFFC-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1840156826 VHJORNHXCVBRKI-FTRWYGJKSA-N 425.913 0.895 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1 1842151335 WCOYLDBRBYOSEB-UHFFFAOYSA-N 443.272 0.349 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c1 15661903 LNESTYGIGMUFQC-UHFFFAOYSA-N 445.501 0.821 50 20 ICGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727483029 CLQKJSFTJTUPQD-UHFFFAOYSA-N 446.485 0.368 50 20 ICGD CN(CCOc1cccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1)C1CCOCC1 728133226 BMXOBEAQGLEUNE-UHFFFAOYSA-N 447.536 0.629 50 20 ICGD Cc1cc(C(=O)O)c(O)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854307 QCTQCXMZLZMLCR-UHFFFAOYSA-N 435.462 0.415 50 20 ICGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C1CCN(c2ncccn2)CC1 728980651 BKNLXOSBYZYZRR-UHFFFAOYSA-N 427.421 0.179 50 20 ICGD CCOc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1O[C@H](C)C(=O)N(C)C 730576145 BSHPFVVYEYOLSI-UKRRQHHQSA-N 425.507 0.826 50 20 ICGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)n[nH]c1C 732045166 DVOOBXXRVZOYGB-UHFFFAOYSA-N 426.451 0.924 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732260749 HOBFOJPYQWRYTP-HUUCEWRRSA-N 427.523 0.367 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 734416079 KLFIEDUXNHCONN-UHFFFAOYSA-N 442.263 0.904 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1OC 734522569 RWPGRWGMBZXGNY-UHFFFAOYSA-N 426.426 0.635 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 740812287 BIGQTUPGNJETSA-UHFFFAOYSA-N 449.507 0.244 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O 743317088 DMGYBNKVZRAUBA-SECBINFHSA-N 429.886 0.524 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 743635639 DJVLTJRUUJRILA-KXBFYZLASA-N 440.456 0.837 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 755260596 VMRUYASJCPRUSQ-SYWGBEHUSA-N 428.445 0.455 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 756089332 DPRRJVVCRIUAPM-CHWSQXEVSA-N 425.511 0.792 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc2ccccc21 756096142 OSGHVUJENXMCJI-OYUDYFSCSA-N 436.472 0.253 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 756398435 GAMGZFXBEUNFCQ-INIZCTEOSA-N 449.533 0.561 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 758037078 XURZQRLGNVRDHX-LLHLLMPMSA-N 434.877 0.084 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)n1 762906922 MQCNTOAWDCKUBA-UHFFFAOYSA-N 448.505 0.871 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763468411 KAOXZUHRKZHELT-NSHDSACASA-N 429.389 0.968 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763557207 DXUBATCIKTWDHV-UHFFFAOYSA-N 431.186 0.574 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1 763661554 OEAYWZRFPFWTTR-UHFFFAOYSA-N 426.429 0.488 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CCN1 763728340 TYAYUIGZSIFVOC-UHFFFAOYSA-N 440.504 0.320 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cnn1-c1ccccc1 763790622 MABNGCLDPVNLPQ-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 764002711 RDXKMLXFKXSKOK-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 764127993 WXHNHQOQOLYZEP-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)o1 764138731 IWKQADOSVUXLSK-UHFFFAOYSA-N 440.464 0.805 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1S(N)(=O)=O 764167047 AMTCOSPKUGXPDY-UHFFFAOYSA-N 434.474 0.451 50 20 ICGD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231041 LTYYDTBKFQPFFA-SECBINFHSA-N 436.943 0.864 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2)c1=O 764394976 XUWSPIMZXAJQOD-UHFFFAOYSA-N 442.457 0.155 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)COc1ccccc1F 764525468 UKZOTIIFFGOYHU-UHFFFAOYSA-N 430.440 0.271 50 20 ICGD CC(C)n1nccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 764591714 NCHRJNZQIVDMBF-UHFFFAOYSA-N 449.533 0.879 50 20 ICGD CN(C)C(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765735106 HYZZMNJOBDNDCR-UHFFFAOYSA-N 437.500 0.607 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 766647212 BESBDKDUUUPTQT-UHFFFAOYSA-N 437.500 0.905 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 766653325 QDIOCNNDVGKJJY-UHFFFAOYSA-N 439.472 0.239 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 773724899 ZYPBXBBCZJWEPP-OYKKKHCWSA-N 447.477 0.380 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(C(=O)OC)c2)c1 774256009 QJBZWKJWHIAUBF-UHFFFAOYSA-N 434.474 0.974 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 776528240 UAQVAGOJLBEXMC-UHFFFAOYSA-N 444.560 0.913 50 20 ICGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780155116 TVGQZFKFRGCZMH-XHSDSOJGSA-N 438.550 0.730 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CC1 780476993 SHCGCXFOKDQKPD-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 781255108 TVKOQJGWXXUSIJ-UHFFFAOYSA-N 439.471 0.233 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)nc1 783264456 QDGIVEGAPZLXQU-UHFFFAOYSA-N 446.489 0.136 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(=O)N(C)C 784003426 FEAUDVZFACOOPK-UHFFFAOYSA-N 431.474 0.274 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(OCCN(C)C)c1 784004219 CGYQWMVHZHRMFV-UHFFFAOYSA-N 447.517 0.513 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 784916200 VOWLPSAXSYOQAG-UHFFFAOYSA-N 442.542 0.414 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1nc2ccccn2n1 791251695 BDWJDMFORIOIIK-UHFFFAOYSA-N 430.490 0.826 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)COc1ccc(C#N)cc1 791891374 YNBJGOVHYPJXHJ-UHFFFAOYSA-N 441.469 0.679 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 793350939 SYTCIFVQYTXUMG-UHFFFAOYSA-N 437.503 0.200 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 794080291 JOOPXZGFKWOIEU-UHFFFAOYSA-N 434.474 0.681 50 20 ICGD O=C(NCCS(=O)(=O)CCc1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 799856947 HSAAOZBJCZQBAG-UHFFFAOYSA-N 443.489 0.264 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 806979269 PGXGTDMKOLFBJU-GFCCVEGCSA-N 427.429 0.521 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 806979270 PGXGTDMKOLFBJU-LBPRGKRZSA-N 427.429 0.521 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNc3ncncc3Cl)c3ccccc32)N1 806990179 AXDCOPFAHNOYEN-RYUDHWBXSA-N 430.852 0.609 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1 807546524 WDHBPJVOSQLRII-MEVBUXLWSA-N 433.465 0.704 50 20 ICGD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 810395553 MFRNWDCCWJFDPQ-UHFFFAOYSA-N 429.380 0.986 50 20 ICGD O=C(NN=Cc1cn(-c2ccccc2Br)nn1)N[C@@H]1CCS(=O)(=O)C1 811640762 YLUGOHGUIVTEEK-SNVBAGLBSA-N 427.284 0.850 50 20 ICGD CC(C)n1ncc2cc(/C=C\C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(=O)[nH]c21 894389938 WVRQHHYWRVJNOL-YVMONPNESA-N 433.432 0.756 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 913897928 GQCTUMMQXYLQON-UHFFFAOYSA-N 448.501 0.628 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1 914015752 UVKOQNXKTFFYDH-QHIITQONSA-N 439.428 0.993 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 915189631 VMUPBBGPRKSXBF-UHFFFAOYSA-N 436.465 0.848 50 20 ICGD CN(C)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 915635662 WBTJRDAKLHUWNP-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NCC(=O)N(C)C)c2)cc1 915912913 CCFBCUOTDYIYPP-UHFFFAOYSA-N 449.489 0.528 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 916147977 UZZAEHXNQGIEHK-UHFFFAOYSA-N 446.423 0.610 50 20 ICGD O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NNc1ccc(-n2cccn2)nn1 916266916 NFADBJFFRXIUON-UHFFFAOYSA-N 427.469 0.933 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 920032656 RGUXTYDSPCKSPG-IEODJVTJSA-N 438.488 0.451 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(CNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 920350514 VHYQPSPBQFZXGV-MDOVXXIYSA-N 438.550 0.817 50 20 ICGD CCOC(=O)c1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 1116970342 UWJFDHLMQUJIFV-UHFFFAOYSA-N 426.476 0.645 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1251743602 UYFLNIPCOIUCKG-UHFFFAOYSA-N 434.522 0.325 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1 1317719609 ZRCILCZFMYQXNK-HNNXBMFYSA-N 448.567 0.184 50 20 ICGD Cc1cc(=O)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nn1-c1ccccc1[N+](=O)[O-] 1327706745 PQLQOIYOQNJTKV-CYBMUJFWSA-N 435.462 0.555 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 1327730144 WUWYMGUSUPRIAS-OAHLLOKOSA-N 425.492 0.110 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1779535228 MLRLCMYPGMZHCB-ALYFQZSWSA-N 434.306 0.882 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)o1 1779735942 VISOCCUQWGSSCO-XMSQKQJNSA-N 441.293 0.413 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncon2)C1 1779932432 JLHHOTOTBBRBAQ-LUFCHBKHSA-N 443.464 0.331 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)ccn1 1780322964 FKKNERIRIFWYPO-MGPUTAFESA-N 439.896 0.956 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2)[C@@H](F)Br 1780770840 FUDCUAYZLLPFDU-SUYBPPKGSA-N 446.273 0.904 50 20 ICGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)no1 1782464654 HQWKEVDFYBEZPC-DYESRHJHSA-N 435.525 0.412 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1783530404 XETGWNYHDPPBHB-XUJVJEKNSA-N 425.345 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1783935904 ZLIWQAQMFGJNNS-JOCHJYFZSA-N 435.569 0.208 50 20 ICGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)c1=O 1789921751 VWXHNPANTLDYII-PYJNHQTQSA-N 430.274 0.669 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccccn3)CC1)C2)[C@H](O)CCl 1792978621 JHZQPEPLCIVZGE-SFNKJDCFSA-N 436.940 0.487 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)n(C)n1 1794344466 XRLCXHWLAYMSJF-MCYUEQNJSA-N 429.315 0.663 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(F)(F)F)C2)c1cccc(B(O)O)c1 1795737176 ANONVLUZRANYBV-XOIINTDNSA-N 428.216 0.302 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cn1C 1796715737 MKXAVURNASHWRS-POKDIBPUSA-N 444.467 0.501 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2ncccn2n1 1797380311 HFWFCWKLLSNDDF-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2)N1CCN(C)CC1 1799185866 QEQXXPIREPTBGJ-KSPMYQCISA-N 435.396 0.448 50 20 ICGD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805800075 HFTWSJIBZVYMPI-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2=COCCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367326 KMTTUDBNRXTYTK-RXVVDRJESA-N 435.289 0.775 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1808661388 KOMFEWYSZJKOFD-XBFCOCLRSA-N 436.303 0.823 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1 1810308085 IVKTZUJPZOLSGA-BEFAXECRSA-N 436.472 0.704 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1812775688 BWBHOAUXEPUUSF-VNHYZAJKSA-N 425.331 0.744 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1813069786 BVURKUMRBLTBDI-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CC(C)(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814338244 MLYVYMVZOVINTC-JTQLQIEISA-N 432.506 0.528 50 20 ICGD CC(C)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339964 XUGKEZKRDOWEQU-OAHLLOKOSA-N 430.339 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csnn2)n[nH]1 1815364787 JSUDEEIJLNFASL-CQSZACIVSA-N 441.477 0.879 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476509 UMIYPXRRRDPHEJ-MYGHRHJXSA-N 446.338 0.554 50 20 ICGD CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823003605 MZTUHCNBUSZJDG-LDWIPMOCSA-N 428.305 0.790 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C)CC1)CC2 1826000612 YPEYKVQSSDDWQC-CHWSQXEVSA-N 429.974 0.556 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050915 HDGWEPNFAJUSOU-NDXORKPFSA-N 429.370 0.973 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830720432 ZNANYWPOUSYLHG-KXBFYZLASA-N 430.860 0.504 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732936 COCKRJYUGHBEPW-YJBOKZPZSA-N 436.814 0.774 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733990 XVCNZNXCPNKVLT-KDOFPFPSSA-N 445.831 0.404 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805520 MTYNEDKKDARZQS-FXAWDEMLSA-N 438.908 0.480 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830970549 APLYQTHQKSVXCF-RKVPGOIHSA-N 443.342 0.932 50 20 ICGD O=C(CCC1CCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831070137 YTVJLEVZPHEBBI-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831205858 VTTUADJHYYNIMV-RDTXWAMCSA-N 448.358 0.533 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1831646526 KVELTYZUYOCVMY-SGTLLEGYSA-N 428.873 0.365 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441398 WGAQOVZHJGHQJN-XLIONFOSSA-N 431.961 0.573 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836035860 KSOVFVNAEMWDTA-LPHOPBHVSA-N 429.876 0.473 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198019 PYXSUTKZJSAIDD-YMBFEGSUSA-N 437.262 0.253 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199297 MEUSLHXUGIEWLR-IAQYHMDHSA-N 435.250 0.326 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839645737 QSCWJSKAGXQRAV-JVJSVBTBSA-N 446.342 0.514 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1839762245 DFVGXZRPWPKLGJ-RDTXWAMCSA-N 432.901 0.040 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840032450 YZQRFWGQNZXJPT-GMBSWORKSA-N 441.322 0.960 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840033854 SKOGFOJLJOERIV-YNBXDXGYSA-N 442.310 0.938 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034687 TWTVDDSBBAVAHS-KBXCAEBGSA-N 447.326 0.736 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840483479 OVDPOGNZMCBWJE-YOEHRIQHSA-N 446.273 0.355 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)c([N+](=O)[O-])c1 1841353266 NTNXCHIUIZSFTI-AWEZNQCLSA-N 425.825 0.798 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2cccc(Cl)n2)C1 1842113841 XIRSYDHDDSBDFP-UHFFFAOYSA-N 428.880 0.793 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013216 VOHGVSCQRAVKDO-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1844693019 ODPFZQGGIGFZDJ-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)N(C)C(=O)OC(C)(C)C 1845063303 PUAFBOSLTNQYJK-OAHLLOKOSA-N 445.325 0.439 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2)C(C)(C)O 1847089237 NJJXWCQOCWNWIY-QWHCGFSZSA-N 433.933 0.454 50 20 ICGD O=C(c1n[nH]cc1I)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563652 NXMMFPBDOGCOJC-LPEHRKFASA-N 438.653 0.429 50 20 ICGD CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 9203744 COKVHXMKIXEGPG-HNNXBMFYSA-N 445.428 0.952 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccnc2N2CCOCC2)c1 14326418 JUQLGSNOXYEGMM-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 26974145 IAXVURFHZJLNKM-HTAPYJJXSA-N 438.440 0.749 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 726499347 FWRZKEUZWXFYBH-HIFRSBDPSA-N 438.462 0.090 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845111 GVARUUWOMRBHTP-QKKBWIMNSA-N 443.508 0.341 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)CC1 729534742 WLTFKHYUYGHGKM-UHFFFAOYSA-N 443.485 0.263 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCCN1C(=O)CNC1=O 731045614 FMASXJOVOWWJNB-JTQLQIEISA-N 442.270 0.489 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnn1-c1ccc2c(c1)OCCO2 731454010 YLFIDIMUZWJUFU-SFHVURJKSA-N 437.412 0.948 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1cccs1 733515946 HDVKKPUTBRNHAE-AWEZNQCLSA-N 432.437 0.970 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 734250766 IHIABZLZSCJSKL-LJQANCHMSA-N 437.522 0.927 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1Cc2ccccc2O1 735094672 GXMKNDQOELNDQT-OAHLLOKOSA-N 449.445 0.207 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2CCc3ccccc32)CC1 735117134 ONZOBTGRQFXZEE-UHFFFAOYSA-N 430.534 0.524 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3c(c2)CCO3)CC1 735118278 PQHJPPIBIKUOIB-UHFFFAOYSA-N 431.518 0.638 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)Oc2ccc([N+](=O)[O-])cc2Br)n(C)c1=O 739311154 KFAZQACGYPTAED-UHFFFAOYSA-N 438.194 0.710 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNc3ncnc4[nH]cnc34)CC2=O)cc(OC)c1OC 740745945 GWDSCIWIRLYVLK-SNVBAGLBSA-N 427.421 0.875 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1ccncc1)N1CCOCC1)c1ccncc1 741766300 JZGNTAZQQBPICA-HXUWFJFHSA-N 437.504 0.948 50 20 ICGD COc1ccc(OCCS(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 742028707 BSSRCMRJNONRFD-UHFFFAOYSA-N 428.488 0.742 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(Cc3cccs3)nn2)ccc1Cl 742478552 RJNIRICPNXYUAW-UHFFFAOYSA-N 440.894 0.764 50 20 ICGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 746093219 NKTISVUTKAGTAS-LJQANCHMSA-N 446.529 0.647 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095892 HCMKSPNIFONXIE-STMZPRSESA-N 439.472 0.297 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749220103 IHUJAFRGWCDYKO-UHFFFAOYSA-N 429.452 0.884 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNc1nc(-c2cccnc2)no1 750312325 NNZCDCXSLDYFJD-UHFFFAOYSA-N 432.408 0.453 50 20 ICGD C[C@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2N1S(C)(=O)=O 751208691 HZPSPSSQFNCDBR-NSHDSACASA-N 436.515 0.650 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(CC(=O)N2CCSCC2)cc1 756282269 WUVDNLOEFUQZAM-AWEZNQCLSA-N 440.547 0.392 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)CCc2ccco2)C1=O 757629302 MSAMUUZPORCUHQ-UHFFFAOYSA-N 442.432 0.558 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 758035975 PBEAMHICFTURSD-HZSPNIEDSA-N 434.559 0.745 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1Br 759629148 OORCLBHYNKKBBN-GFCCVEGCSA-N 439.222 0.327 50 20 ICGD O=C(NNc1ncc(F)cn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 760922314 GHMIFGVKGQHNIP-UHFFFAOYSA-N 437.453 0.931 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 761388390 XOGYIVLLHWICFJ-UHFFFAOYSA-N 431.521 0.072 50 20 ICGD COc1cc(C(=O)NNc2nccc(N3CCOCC3)n2)cc(Cl)c1OCC(N)=O 762852171 VEEUHRLEXFRLCZ-UHFFFAOYSA-N 436.856 0.596 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)n1 763881775 PUHCFQFXROCSNL-UHFFFAOYSA-N 426.477 0.830 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 764154781 UWHWLUYCOGQNDZ-IRXDYDNUSA-N 425.397 0.105 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 764226088 FOFPXFQWKYIBLF-SNVBAGLBSA-N 446.913 0.685 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764371433 ZXYGHORFEIHYNE-UHFFFAOYSA-N 436.371 0.699 50 20 ICGD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764427007 XJWITUOJNMQFNP-AWEZNQCLSA-N 440.884 0.760 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)nc1C 778427197 WAKZKZIGHGOZJM-UHFFFAOYSA-N 437.478 0.643 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 778441986 YXLZQSZAWBYDFM-OAHLLOKOSA-N 433.465 0.857 50 20 ICGD COc1ccnc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 781937595 CXKCYRVGSVATBV-YPMHNXCESA-N 427.870 0.406 50 20 ICGD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003898 DUSRLFBNYBKGMQ-UHFFFAOYSA-N 434.430 0.521 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784212779 GEYKRKZAAXDMQT-UHFFFAOYSA-N 432.458 0.996 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 786413850 HSTUZHUPIQZLPV-ZDUSSCGKSA-N 431.449 0.767 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 787543708 LVFYPRJAFQUYCV-UHFFFAOYSA-N 439.428 0.696 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(C(F)(F)F)n1 797369407 VGTYOYOFDFSXMZ-UHFFFAOYSA-N 442.354 0.451 50 20 ICGD C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 799407965 JTWOYLKNEADRSE-OAHLLOKOSA-N 446.529 0.835 50 20 ICGD Cc1c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cccc1S(N)(=O)=O 802067375 TXHSKEPPLRQEEP-UHFFFAOYSA-N 426.476 0.512 50 20 ICGD O=C(COC(=O)c1ccnc(NC(=O)C2CC2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 803904025 YLFLTHBZJOLNKD-INIZCTEOSA-N 440.412 0.574 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(COC)CCOCC2)c1 809957352 LMURYSBUJWYGJN-UHFFFAOYSA-N 427.523 0.921 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n1 810387033 CFIPAVRWSAMKCV-UHFFFAOYSA-N 441.411 0.724 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc1OC 811232891 LSGAFHSEULXPLS-QFIPXVFZSA-N 441.440 0.466 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 815691765 ATKMGECFASOTJY-CYDGBPFRSA-N 429.506 0.987 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692756 AUSZYWQZUJWVPO-NSHDSACASA-N 435.282 0.952 50 20 ICGD CCn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2c1=O 913081353 KJNVGOSRZMNETF-KRWDZBQOSA-N 447.455 0.298 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 914846371 HEFWTFWVJJZHIX-UHFFFAOYSA-N 449.471 0.741 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F 916378280 LMMPGQBWFBOGPN-GUYCJALGSA-N 443.382 0.731 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)cc1 916649933 XLRSFTRIARHQLE-UHFFFAOYSA-N 438.481 0.824 50 20 ICGD COC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 918774033 UYJUVMUNPZPIEA-KRWDZBQOSA-N 444.396 0.383 50 20 ICGD O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNC(=O)[C@H]1COc2ccccc2O1 920420269 VOWJUBVIOVJGFJ-LJQANCHMSA-N 440.456 0.829 50 20 ICGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1318035591 QFQBETLDKAQHQN-GFCCVEGCSA-N 429.524 0.899 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC34CCS(=O)(=O)CC4)CC2)cc1 1323723203 GWSDERYXXITKFS-LJQANCHMSA-N 448.589 0.475 50 20 ICGD O=C(c1nc2ncccn2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777831061 ZIZWXBHJEQNECK-BMIGLBTASA-N 427.234 0.258 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1779296844 HSVLKVWYXOGZGL-IBGZPJMESA-N 438.557 0.394 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779522946 MSGIZHRVZUQISH-INIZCTEOSA-N 427.255 0.403 50 20 ICGD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098519 NTTFBAWKOPKRBF-HXUWFJFHSA-N 448.432 0.100 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1780712988 IEWDMNUXKJYDKA-DAXOMENPSA-N 429.366 0.781 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096349 DVEHJDKFQJOXQH-HILJTLORSA-N 437.924 0.384 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1785225326 QMCAKEPQXSLHBT-KSSFIOAISA-N 448.900 0.272 50 20 ICGD COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1785265265 GJJHYPWCKZHBHH-OWLYRPNTSA-N 425.913 0.602 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1786407663 GUFDBLKFBWJNNA-SRVKXCTJSA-N 432.344 0.662 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787476151 FIUUHUYIWRUQIK-SRQBIAJPSA-N 439.354 0.715 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)no3)C[C@@H]21 1787508923 SXBFJKMGMJFDQS-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)cc2N1 1790501928 CUZRJVUJBIMACW-LAQRGFTBSA-N 435.908 0.764 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)n1ccnn1)C2 1796893562 HLWJABDXIAYKQQ-GNUOBCGASA-N 426.481 0.611 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c(F)cccc1Cl 1798806303 PBRGOXIXVJAJOZ-HBCWATKFSA-N 446.671 0.676 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799273789 HXPCAGIMEYUFTN-VBTGVMJWSA-N 429.366 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1801012803 YLSPOHOAJRKFRN-RMFSNUHRSA-N 427.505 0.329 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807362533 HHCSKDIVUIOWRK-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807371742 ZLCCJYFDVUATRM-AVRDEDQJSA-N 447.304 0.057 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(=O)n3O)C2)CC1 1807558795 OJUVONFCNLPVSF-UHFFFAOYSA-N 433.509 0.303 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303952 XYXNGXSGEGQAJN-KXBFYZLASA-N 448.487 0.745 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812315392 ZROZVHYSIXGBLZ-BLIXFSHQSA-N 432.569 0.801 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1813032053 ULHTUJTWPJALJE-DVOMOZLQSA-N 435.868 0.856 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1 1813070193 DVZKXDBRTXGJIN-GCJKJVERSA-N 441.536 0.666 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cnsn1 1816166718 OFXLVHDYVZFARI-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD CC(C)(C)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817278083 FZTHJVFXDTYOEE-KRWDZBQOSA-N 427.314 0.784 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nc2)[nH]n1)c1cccc(B(O)O)c1 1817476579 KWLJIAWNUWIILV-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819591617 CUNIHLKHJKYIRG-OLZOCXBDSA-N 436.545 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2nccn2)n[nH]1 1820988947 YDPYMUYCJZTWKS-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](Cl)COC)CC2 1824509871 RPORSLIPJOUORL-UWVGGRQHSA-N 433.987 0.793 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826009050 LKQHLKJQDHLFEV-GHMZBOCLSA-N 431.946 0.682 50 20 ICGD COC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085520 YCDJBHMHJPGGIV-NSHDSACASA-N 425.511 0.381 50 20 ICGD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1828396860 QXNJZQXSGQUPLS-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1831870338 XBVRATSYSVMNNH-ZWKOTPCHSA-N 435.569 0.505 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cn4ncccc4n3)CC2)CC1)[C@@H](O)CCl 1833310238 MOFKCDQFUYKMRW-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cccc1=O 1833873345 VKFHFKQFPOLANG-OALUTQOASA-N 446.331 0.692 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609453 RDFKBGMJCPRBCP-RDTXWAMCSA-N 443.294 0.883 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1834826663 SVDPRHSCQJAXHN-OAHLLOKOSA-N 448.343 0.138 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835168804 FBVSRLLSUUEVRL-IEBWSBKVSA-N 428.844 0.949 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)CC)CC2)CC1 1835645030 NPGMRRYSSGWXLA-WBVHZDCISA-N 432.949 0.640 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835761514 TUXIRWHEWGIDLX-WIYYLYMNSA-N 445.004 0.616 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836750765 AXSFHQNZSHMNAC-IBGZPJMESA-N 447.536 0.314 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919138 IRNUBGUWZPPBKA-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839144795 KUKHJAZDPCUFPQ-WLHTULFXSA-N 446.957 0.263 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CCC1=O 1839150502 NZNLHPRMTKMOIJ-ROUUACIJSA-N 449.335 0.287 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839200394 JSFWSDIOXHKXOK-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840153727 YOQFODCRMNHUKB-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD N[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1842938651 DSNMGMALMICVLV-SFHVURJKSA-N 427.697 0.537 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)[S@](=O)c1ccccc1 1843014834 HHVQUOVBWGNMBL-ZYSBOAIWSA-N 440.330 0.380 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ncc1[N+](=O)[O-] 1843517494 RYJRPELBWDXPQA-UHFFFAOYSA-N 439.432 0.428 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847956816 LZFVZYYCYISHHD-OKZBNKHCSA-N 443.309 0.191 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 14324747 ZPSPFIVRZKQAPV-UHFFFAOYSA-N 430.490 0.403 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 14329308 YDPFEDYTWKHEBC-IFXJQAMLSA-N 433.486 0.991 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 18945220 MAZZLEQQRLPKEP-UHFFFAOYSA-N 446.461 0.190 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)cc1[N+](=O)[O-] 25261453 WDUZFMPJNNMAAB-UHFFFAOYSA-N 441.444 0.933 50 20 ICGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)CNC(=O)c1ccco1 725741649 SYEBYSCCGOYAPQ-QMMMGPOBSA-N 443.279 0.799 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 725999285 IZFAIKCIIINVOU-ZDUSSCGKSA-N 432.458 0.460 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1CCS(=O)(=O)C1 728179402 KLJOJEIWFJDMAD-INIZCTEOSA-N 442.497 0.984 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1CCS(=O)(=O)C1 728380714 RCKFOTFBLISTOZ-CDNVCLAFSA-N 441.506 0.298 50 20 ICGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1 730027898 BCYIZPHKMDUEAN-UHFFFAOYSA-N 427.383 0.483 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c2ccccc21 731557744 DIAHXONEPVFFCW-UHFFFAOYSA-N 437.441 0.664 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNc1nccn(C)c1=O 747938690 XTGCVNJFJNCQNF-UZGISAJGSA-N 437.547 0.935 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1Cc2ccccc2O1 748268538 KMKZDTCGYPGSBX-MRXNPFEDSA-N 434.430 0.414 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cccc1S(=O)(=O)NC(C)(C)C 756681409 JASNEKPAALGZDI-LLVKDONJSA-N 449.555 0.162 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C[C@H](C)O1 757408941 XLBQIAZFCKWBRL-RYUDHWBXSA-N 434.478 0.130 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 757726464 WKRKWVJVBOFLCM-LLVKDONJSA-N 443.888 0.362 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCCc1ccccc1 763037938 FVMPXIIKKUBTCT-CQSZACIVSA-N 432.502 0.623 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 763858721 WNOISOYTMLHRJY-UHFFFAOYSA-N 443.485 0.747 50 20 ICGD Cc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763917078 PAPFTQJBKUWMJV-UHFFFAOYSA-N 445.443 0.615 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764164360 ONAJEHJUCHAJGC-QGZVFWFLSA-N 443.412 0.580 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccnn2Cc2cccc(Br)c2)cn1 764357798 AQLXAZBVNVKZMT-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O 765314269 YHLOGRDBXGPVSU-RBZFPXEDSA-N 439.513 0.939 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)c1ccncc1 766948803 IZOCTLVBBPTFEI-UHFFFAOYSA-N 442.501 0.925 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 768428804 PVRYIKCSRYNZPK-UHFFFAOYSA-N 426.506 0.661 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNS(=O)(=O)c3ccccc3Cl)nc21 771019889 GELWYJNXHYUABJ-UHFFFAOYSA-N 425.858 0.534 50 20 ICGD O=C(NNC(=O)C1(O)CCOCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 771861804 NNOFJKLJHNYNIX-UHFFFAOYSA-N 433.486 0.468 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 771957451 IKALUBHZIKTPKD-XUSGNXJCSA-N 428.445 0.617 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CCc1ccccc1O 777624894 HSLOKYSNBUBXOU-UHFFFAOYSA-N 427.504 0.633 50 20 ICGD CCNC(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 780849514 MBJYRYNMKRPSSU-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 784916122 TWDQUCIBITUKLH-UHFFFAOYSA-N 425.511 0.882 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1ccccc1S(N)(=O)=O 788222942 DCCPXLJJQONMGI-UHFFFAOYSA-N 441.535 0.604 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2cnc3c(C)cccc3c2=O)n1 792700429 SOWDPPZUJIBTIN-UHFFFAOYSA-N 443.485 0.793 50 20 ICGD CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@H]1CCc2nncn2C1 793448587 UYZUFSQLZDNIEJ-VIFPVBQESA-N 427.508 0.907 50 20 ICGD COCCn1cc(CNC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1 800734837 ZKOQNOIQADBGCW-UHFFFAOYSA-N 427.465 0.965 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Nc1ccc2c(c1)OCO2 802106760 ULMGHJYAFWKYFK-UHFFFAOYSA-N 441.448 0.487 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 804029944 JQOTYZCRBPHEIE-UHFFFAOYSA-N 440.507 0.402 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnc(C3OCCO3)s2)ccc1Cl 806341639 NKUGGZSOIAGREC-UHFFFAOYSA-N 432.867 0.564 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 807369872 NEYJEJHHYOJTNE-NSHDSACASA-N 425.511 0.998 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 815752622 ZJQDONJOFCQTSG-UHFFFAOYSA-N 445.501 0.911 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)C1 816510610 ANJSJTQDZOMXBW-CYBMUJFWSA-N 445.476 0.897 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3c(c2)c(C)nn3C)cc1 818501232 YWZFOKBRVLCBIP-UHFFFAOYSA-N 430.490 0.667 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2n[nH]cc2C(=O)OCC)c2ccccc2c1=O 818787289 ZYLRVPFSTDBTPF-UHFFFAOYSA-N 448.461 0.330 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2)s1 849193396 RNXCLIQIFDTJFS-CABCVRRESA-N 449.620 0.950 50 20 ICGD O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[C@H](B(O)O)C1 864233066 FLCMHLIZDKSHNE-OLZOCXBDSA-N 445.144 0.925 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912922005 YPTSYFLSXDLLGY-HZPDHXFCSA-N 440.566 0.977 50 20 ICGD Cc1nc2c(cc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c(C)nn2C 914602281 RTRPMVLSHPFLCN-UHFFFAOYSA-N 436.881 0.961 50 20 ICGD COc1cc(CNC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1OCC(N)=O 916640928 PGQQFIWSLPQHJA-GFCCVEGCSA-N 434.424 0.996 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 928980858 LSJQRWAKNYMGHM-INIZCTEOSA-N 449.441 0.202 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(C4CCOCC4)nn3)cc2)CC1 1343519270 HYZKSNHUQCKXOH-UHFFFAOYSA-N 449.537 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)cc3F)CCO2)C1 1779032296 IOCJWTQRKSGBDF-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1779036803 FFSMFZURBZKFGS-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779243915 ABIZLFMZLXIBCP-SNUQEOBHSA-N 428.921 0.087 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)nc1 1787444009 IWJPWMSQCXWPCW-LVGORTOPSA-N 433.889 0.613 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)[C@H]3CNC(=O)C3)CCC2)cc1 1789521979 SEYBOBJBCSHGOV-CYBMUJFWSA-N 436.472 0.569 50 20 ICGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)C(F)(F)F 1789921512 NCBBZHZEGDBFGG-PXSXMVNOSA-N 435.212 0.970 50 20 ICGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)cn1 1789922378 IRRQMTCBNRFAFD-WRZDFSGXSA-N 431.262 0.769 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)C1 1793106760 JRAWMKKBLAPPJX-QRJUGERDSA-N 445.944 0.860 50 20 ICGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793803830 DQFSGMKYFGOTPX-NOXHYTERSA-N 434.306 0.669 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)n1 1802336060 FNUPDYTWUTUBGC-BTTYYORXSA-N 448.480 0.623 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363977 GQHPTPKJIRHSEE-WIYYLYMNSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371075 PCYRQJQZTTUCKT-CTNGQTDRSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374818 JRSHHWNLGICRPJ-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969281 NUZJJLKVIRDDHE-UHFFFAOYSA-N 438.337 0.875 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979783 AZCIJDKDSBXPCR-CQSZACIVSA-N 437.143 0.995 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812414651 GMNWGDMUSMANGF-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD Cc1cnoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360565 JFDNPAQTEUYYAX-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817473537 ZJAQZNZDUKAAML-SFHVURJKSA-N 434.265 0.808 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnn1 1817477083 LKVMKHQUCVSGRR-CXAGYDPISA-N 437.269 0.248 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792994 GGWJHKMKFHUSFO-BONVTDFDSA-N 446.533 0.774 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822188843 OSXOIBVQRWWJTM-ONGXEEELSA-N 444.286 0.728 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1825999693 CEORYMHZJUEVFF-TVLCNXBWSA-N 434.902 0.373 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055508 AMPGJWLIYGNDSR-FQEVSTJZSA-N 443.353 0.514 50 20 ICGD Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n[nH]1 1827057613 LDWWDXFYXXGLNL-NRFANRHFSA-N 438.337 0.874 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1830543329 PZQACRLEQLFMPB-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832942606 OQEGMKNAEQSWOC-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833134078 XFXGMKFDWCDGQE-PXNSSMCTSA-N 425.913 0.643 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1)[C@@H](O)CCl 1833310597 SYKURMDXFWAYPC-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD C[C@]1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1(F)F 1834801531 TUUADYUSWFRMJV-OAQYLSRUSA-N 449.307 0.597 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1834823009 DKGUHQUQXVPCRY-INIZCTEOSA-N 429.271 0.037 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1835400198 NJENZHZXUJBOKU-NRFANRHFSA-N 445.004 0.345 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1835781008 IXCMEIGIMGPRBV-QDYDYXSASA-N 437.924 0.992 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720649 ZBRYJGBGFNVIAY-KRWDZBQOSA-N 425.913 0.806 50 20 ICGD CN(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837801677 DCOOYNMJCARLGW-UHFFFAOYSA-N 446.552 0.249 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949687 STHLRZJSLCJATF-KDOFPFPSSA-N 426.857 0.262 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840150496 MVLCYPZVYLEMCU-SCLBCKFNSA-N 446.863 0.106 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1840152394 HDUZEHSVKRSMAG-KKSFZXQISA-N 448.907 0.954 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841888076 LLVCKMCEZJKTGO-FQEVSTJZSA-N 448.527 0.559 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844670879 HFBRXJGWWZQQSW-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cn2cnc3c(C)cccc3c2=O)c2ccccc2c1=O 16231224 FQUGYZFWWJSIOI-UHFFFAOYSA-N 432.440 0.896 50 20 ICGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 20901265 ACEWEZBSBGBNTM-UHFFFAOYSA-N 436.490 0.161 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728638314 CXYUHWPIQAKFKJ-QGZVFWFLSA-N 427.413 0.533 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1cccnc1 728852214 TYVJIOUETMDYKC-UHFFFAOYSA-N 432.502 0.425 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1C 729662341 LIBIHLHBLUHVRO-UHFFFAOYSA-N 446.532 0.980 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cc(Br)c[nH]1 732052034 GRRYYIAOJLHHJW-CQSZACIVSA-N 442.314 0.252 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NNC(=O)COCc2ccccc2)cc1 743625896 XEFYHUGSCRDAND-UHFFFAOYSA-N 435.462 0.674 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(C3CC3)nc21 744641828 FQSSHSWVAKMQSG-CQSZACIVSA-N 431.449 0.207 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746098148 HGFHTQIDSLFCPL-SAHSTKMBSA-N 431.445 0.406 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 746766534 FMOBGRCHUWHYGC-QGZVFWFLSA-N 436.472 0.887 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2(S(C)(=O)=O)CCCC2)cc1OC 750272133 FNLGOSWXSLQZGD-UHFFFAOYSA-N 428.463 0.365 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 751200856 AADGLSNHNZYPLZ-NSHDSACASA-N 449.261 0.972 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2c1=O 756635937 CJOYEDXKWKKSPN-UHFFFAOYSA-N 444.473 0.839 50 20 ICGD CCC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccn(C)n1 758123111 AMBKLOFXAPMUQY-UHFFFAOYSA-N 432.550 0.965 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c(Cl)cccc1[N+](=O)[O-] 758124512 MLGZZFGYUFRUGB-UHFFFAOYSA-N 433.812 0.536 50 20 ICGD COc1cc(C(=O)NNc2nccc(N3CCOCC3)n2)ccc1OCC(=O)NC(C)C 762848405 REEYAQRCLJQSLQ-UHFFFAOYSA-N 444.492 0.982 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763574600 FZSJXVHPVSNIQD-MRXNPFEDSA-N 429.385 0.164 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)n2)cc1 763840780 XQLBSTKZRFBCEO-UHFFFAOYSA-N 437.391 0.502 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1-n1nnnc1C 763860626 KLMOTQAYRAMKPO-UHFFFAOYSA-N 448.443 0.789 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 763916619 HWKPWDURWMMYNB-UHFFFAOYSA-N 434.416 0.189 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(SC(F)F)nc1 763917041 OFVZRYIVYUTNJA-UHFFFAOYSA-N 434.388 0.772 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 764012549 SEMOZBNVKFYNRU-UHFFFAOYSA-N 445.823 0.733 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cccc21 764162793 GFDCMLRDBUGSMF-QGZVFWFLSA-N 444.469 0.098 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764363487 PVMWTIZKRLEDMX-UHFFFAOYSA-N 446.485 0.529 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 764376886 KUPDYUMJHVYONN-UHFFFAOYSA-N 437.445 0.822 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)n1 765247682 VAUZGTPWALTWIB-UHFFFAOYSA-N 425.395 0.759 50 20 ICGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765754706 NJQVPVFAPBPHOM-UHFFFAOYSA-N 449.939 0.534 50 20 ICGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 766273887 AOGSIXNECNAJON-HZPDHXFCSA-N 437.522 0.330 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2O)C1=O 771470086 MQEXWQRMEDIVKY-NRFANRHFSA-N 442.428 0.394 50 20 ICGD C[C@]1(CCCC(=O)NNC(=O)COc2ccc(Br)cc2)NC(=O)NC1=O 772707819 VPMPOORWJMPODO-MRXNPFEDSA-N 427.255 0.744 50 20 ICGD Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)N[C@H]4CCS(=O)(=O)C4)c3)cc21 777240552 POSBNVLGKAVPIQ-AWEZNQCLSA-N 444.473 0.472 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 782401696 HNVRNBSEVDVIHJ-UHFFFAOYSA-N 441.354 0.680 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(CCN(C)C)cc2)nc1 783262158 BLJHXEAFKIPYFN-UHFFFAOYSA-N 448.549 0.954 50 20 ICGD COC(=O)c1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1C 790141199 ABSGDZXQIDIMRF-UHFFFAOYSA-N 434.474 0.597 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1OC 797000395 AKQLMFYGZVSBFH-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD CC(C)n1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 798840985 CSCNKYSYDOUBOG-UHFFFAOYSA-N 449.533 0.879 50 20 ICGD Cn1cccc1C(=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 806273550 XBMPTHAULYJRDF-UHFFFAOYSA-N 448.501 0.009 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1 806974204 ZBMKSDLWYXYKFV-UHFFFAOYSA-N 448.501 0.564 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 810105441 CKBNEXQEWSBNQN-UHFFFAOYSA-N 447.441 0.108 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815780372 VMTKERLEBXJGFA-OAHLLOKOSA-N 426.495 0.372 50 20 ICGD COCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 914845891 YKUBXJJYUHZFMF-UHFFFAOYSA-N 447.922 0.800 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 915880287 DWRMQEFQQZXCOT-ZDUSSCGKSA-N 435.506 0.718 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)COc3ccccc3F)cc2)CCN1 916392462 XLDRGWJZKCDUNG-UHFFFAOYSA-N 443.435 0.307 50 20 ICGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916726130 CXEZZHKLNKRQGO-UHFFFAOYSA-N 436.450 0.427 50 20 ICGD O=C(NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O)N[C@@H]1CCS(=O)(=O)C1 920385138 VSXZXIWNKGXCDZ-CQSZACIVSA-N 432.506 0.505 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)[C@H]1SC(=N)NC1=O 1779296007 ZKXYJGLFXKJBPB-WRSAYESZSA-N 442.614 0.470 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1779300247 NUOZDGCQPOXXRZ-XLIONFOSSA-N 426.634 0.304 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781008197 NHBDCJKMUOYKKQ-DEOSSOPVSA-N 447.300 0.534 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1781594788 XLDPPPUSPRNDJD-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1781793353 JFGMNSTZZYRLMF-QHCPKHFHSA-N 448.483 0.508 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782209511 VEPJLTWFOIBTBZ-AUSIDOKSSA-N 445.564 0.819 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640922 NNJFQJFWHKZRGH-PXAZEXFGSA-N 427.299 0.728 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1783534553 LGPICINQOXBFOS-DHSIGJKJSA-N 425.327 0.565 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)CCO2 1783935053 NLLNTZOGHFWVPO-NRFANRHFSA-N 434.541 0.524 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCc3ccccc3)[C@H]2C1 1786711726 HPTUKKHMACSUFW-UFYCRDLUSA-N 446.548 0.556 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395520 MMPZWVHLPJBJTE-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]4C3)cc21 1787446384 HGAJFQMFYBJCKK-GVARAGBVSA-N 427.864 0.144 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507789 UNURDYXMZBLBKD-AKGDVTCISA-N 446.552 0.440 50 20 ICGD Cc1cc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611511 HMBUOKLGPYHXOF-JQFCIGGWSA-N 426.477 0.229 50 20 ICGD CN[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1)C(=O)O 1791600161 RZENGRCJRJJELZ-MRXNPFEDSA-N 433.509 0.556 50 20 ICGD N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1792423859 XLGZHXCPPXGFKS-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1792978472 DDDINPDLUFPNJJ-LBKYZSNHSA-N 447.960 0.869 50 20 ICGD Cc1cnc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1794970072 QCOQDDAAZWEVAT-ZSBFGKGUSA-N 437.928 0.620 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1F)C2)c1ccc(B(O)O)cc1 1795736811 HORIMOSEGBHCNB-OPMZPASUSA-N 440.280 0.342 50 20 ICGD COc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1F 1796189282 SSKMOLLEINOJFI-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1796333423 ZUMKYJDRFKIFMR-KARBZBNUSA-N 445.944 0.595 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796420814 SFNZHLHQPPASHX-IPJQOSJUSA-N 428.873 0.155 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571848 SNMGWCFUNNBEJY-VTVITOLOSA-N 428.280 0.301 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389774 DRDQTYQRYMHVQQ-RKQHYHRCSA-N 437.356 0.184 50 20 ICGD CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1800478256 UXWPIEWXIPHCRC-IVWMJMPLSA-N 433.417 0.702 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1800759769 HFEKNWCXXCOVCS-DPYKFYPSSA-N 436.310 0.645 50 20 ICGD O=C1Cc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c2N1 1801063932 WFIIJQUDIZMYIP-BCDXTJNWSA-N 433.273 0.427 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1803008456 KIAKBMYOBISVSF-OSAQELSMSA-N 425.331 0.601 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C)[C@@H]1c1cccnc1 1803178269 QIHXKATXCGCKFL-IPJJNNNSSA-N 444.580 0.945 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1805973480 XLHKNQCFZKRTBW-UHFFFAOYSA-N 430.571 0.025 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116557 WZVUXKAAYZFOOS-DYESRHJHSA-N 447.256 0.348 50 20 ICGD COCCOCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806761998 MQCSUOPJNKDNDV-UTKZUKDTSA-N 435.525 0.123 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364309 DRQMBEKPEGRWGX-OXQOHEQNSA-N 436.252 0.862 50 20 ICGD CC1=C(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCO1 1807371107 PYIZRKCLXUDUIJ-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371404 UFZOMNGXCQYXLO-DENIHFKCSA-N 438.337 0.469 50 20 ICGD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807373303 AYIOOWYAPSLGNF-DENIHFKCSA-N 447.304 0.057 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822369879 RVGBWSQVYXBEOM-HOCLYGCPSA-N 434.689 0.649 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830543705 ZFLZAPZTJOWLLV-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830732594 UBLVGTLPQMCHKQ-XLIONFOSSA-N 442.896 0.374 50 20 ICGD Cc1cc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830738385 NYDRKGCPOLTEJV-APWZRJJASA-N 432.851 0.943 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831830239 NOTDRJQFJDXODQ-RBUKOAKNSA-N 436.745 0.854 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236804 UWRVYNXYYMUKGB-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD CCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834313505 BNMDODIILUSKLQ-UHFFFAOYSA-N 448.568 0.795 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819469 OKUPATPCPRSELJ-SUMWQHHRSA-N 434.331 0.143 50 20 ICGD O=C(CSc1nc[nH]n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720580 XODNIPOQMXXKSB-AWEZNQCLSA-N 431.946 0.495 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C(F)F 1838704115 ZARFXZGTSIPIRY-SUMWQHHRSA-N 436.843 0.256 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152219 RDFRXPIVYFXNLM-RTBURBONSA-N 449.379 0.961 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1839199824 VKVKRGBOKSMHPF-RVKKMQEKSA-N 445.285 0.867 50 20 ICGD O=C(c1ccncc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201071 VKYFPOJCNNJZBI-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840029701 NACRLZUTCFEKCD-RVSPLBMKSA-N 434.331 0.141 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840725387 PUTCYLLOJLDPCH-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841351138 GYJNJNADOGHTPL-ILXRZTDVSA-N 445.944 0.407 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841514475 NTZJUSWUYIIZPD-AWEZNQCLSA-N 433.933 0.721 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccnnc2)C1)NC(=O)NCc1ccccc1 1842399774 OBQOYIVKQRXRPP-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD C[C@H](CC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)NC(=O)OC(C)(C)C 1843379895 BXIHTACTLOWBQJ-OAHLLOKOSA-N 439.557 0.866 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022906 GOKQPABRQHNHOP-LLVKDONJSA-N 441.351 0.878 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Br)C2)CC1 1845218002 HDRRHKLEGRQQRW-LBPRGKRZSA-N 440.335 0.552 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1[N+](=O)[O-] 28717687 VWLDZNOKQVMSCE-UHFFFAOYSA-N 440.210 0.885 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)c1cccs1 728322065 AULPNQGFZNEQAF-AWEZNQCLSA-N 433.442 0.351 50 20 ICGD C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)[C@H](C)N1CCOCC1 729624608 YLMWKFKZSXAECE-OALUTQOASA-N 432.569 0.638 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734881141 HMLLJKNVYVZNRJ-UHFFFAOYSA-N 444.514 0.016 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1C 736796104 IFXJTBAIXYMHIE-ZDUSSCGKSA-N 445.563 0.985 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cccc4ccccc34)cnc21 741656246 UKPBQPIDKUDSDH-UHFFFAOYSA-N 425.426 0.811 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)NCc1ccc(F)cc1 742032824 CAAQVDJDOOJPIR-UHFFFAOYSA-N 427.480 0.802 50 20 ICGD CN1CCN(Cc2cccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)CC1 742240071 HXXZIGFVVIVBMC-UHFFFAOYSA-N 444.561 0.802 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617765 AJQATMNDERRXDW-JOCBIADPSA-N 448.501 0.123 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc(C(C)C)[nH]2)cc1 747597029 VZPJIDKKFQNAPX-UHFFFAOYSA-N 429.524 0.472 50 20 ICGD O=C(NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@@H]1CCS(=O)(=O)C1 747713414 WFZWSRRFPNHERJ-SNVBAGLBSA-N 425.448 0.849 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1cccc(N(C)C)c1 749604234 RPKFUOWLDIUHIK-UHFFFAOYSA-N 434.464 0.392 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 751203311 LMFKJDMDVQIZEQ-INIZCTEOSA-N 442.472 0.865 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 753034465 JKCGVCGWUOAOPD-LBPRGKRZSA-N 427.383 0.764 50 20 ICGD CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 754362243 NVSBXGYWAZAIIB-UHFFFAOYSA-N 425.401 0.584 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836406 VCBSXDPOTDHDBR-CYBMUJFWSA-N 434.428 0.501 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 757904336 AQFFBKYYWPIBHB-SSDOTTSWSA-N 431.368 0.451 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1 759999969 LLNSTMOZHVPLQJ-UHFFFAOYSA-N 430.442 0.652 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Br)c1 761949500 IJZUYVLDSJFVIO-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763737085 OFFNQPZJQDMVNO-UHFFFAOYSA-N 446.485 0.604 50 20 ICGD COCc1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763739073 YKEJNOPXFIZLCG-UHFFFAOYSA-N 448.501 0.548 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763752051 BRTHQMDFIVDWMN-UHFFFAOYSA-N 442.520 0.854 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763758039 MFSXPCOZMYYLRA-UHFFFAOYSA-N 447.517 0.839 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 763873664 XDVRHRKXDZRVKN-LBPRGKRZSA-N 440.412 0.774 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)n1 763883262 ZFJZVNJXXHKNEX-UHFFFAOYSA-N 432.868 0.832 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccn(Cc2ccccc2)n1 763916959 LMVLJBCCKLQWFQ-UHFFFAOYSA-N 431.416 0.307 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 764227261 MHONMBGMZUJXJS-NSHDSACASA-N 438.437 0.642 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2scnc2C)c1 764246114 LJCCPNONODRZGD-SNVBAGLBSA-N 439.519 0.928 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)ccc1C 764278219 NCDDHZPJBPHFBF-UHFFFAOYSA-N 434.474 0.327 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764394599 SUGUKZXZJQLIAN-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC3(CC2)C(=O)Nc2ccccc23)n(C)c1=O 764819859 WOKHEMCJWBVNMK-UHFFFAOYSA-N 449.471 0.370 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1F 772195770 QTVBYGVOBWFSPL-UHFFFAOYSA-N 442.856 0.928 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)N(C)C 773482388 MYJCOIPMLCHRAG-UHFFFAOYSA-N 436.494 0.824 50 20 ICGD COCc1cccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 777402894 NCPHRIDXDKGNDE-UHFFFAOYSA-N 447.513 0.858 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)C2CCC2)c1 782592823 BZCYFHPYDDORJE-UHFFFAOYSA-N 425.511 0.726 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 784002375 OEMDHSMZZNBHQO-UHFFFAOYSA-N 447.354 0.945 50 20 ICGD CNS(=O)(=O)CCNC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 784128196 JPWRYQVUKZHUHO-UHFFFAOYSA-N 428.696 0.987 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)n1 785225954 AJZRDUQXNOLETC-UHFFFAOYSA-N 440.464 0.456 50 20 ICGD CN(C)Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Br 786425793 IIPZCVKEIZFXAM-UHFFFAOYSA-N 440.298 0.219 50 20 ICGD O=C(CCc1ccc(O)nc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 786612272 VKUKHKCAUIOFNQ-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD O=C(NNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)N[C@@H]1CCS(=O)(=O)C1 795527989 TUWSTDNHGXXATK-HUUCEWRRSA-N 430.477 0.661 50 20 ICGD Cc1cc(Cn2nnc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)c2C)on1 796521248 JUJYQKCDVHVKQG-UHFFFAOYSA-N 426.433 0.787 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(I)c1 806979219 OKBOFFFQKGMFTJ-JTQLQIEISA-N 449.245 0.737 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)nc21 810400619 IUKZSUGTZZEVED-UHFFFAOYSA-N 445.383 0.509 50 20 ICGD CCc1nnc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 812598282 AXKFJRPQGYZVBU-UHFFFAOYSA-N 426.524 0.560 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c2)CCN1 812995008 UKQLOZXHPIKULK-UHFFFAOYSA-N 434.456 0.542 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 815593301 IQARNMBTKGDQTQ-UHFFFAOYSA-N 434.206 0.430 50 20 ICGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815692334 ONFXRSSLLWWEQR-HNNXBMFYSA-N 443.508 0.347 50 20 ICGD COc1ccc2c(c1)C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CO2 914828331 NSQGBWLFHKFKPU-IFXJQAMLSA-N 442.424 0.777 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 915141407 QCUBLABWPMEOGC-AWEZNQCLSA-N 447.579 0.832 50 20 ICGD Cc1nc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cs1 916230332 ZCFODCDXLSTKGL-UHFFFAOYSA-N 425.540 0.609 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc2ccccc2cc1O 918781179 LCPJLPFUUVMBIN-LSDHHAIUSA-N 431.470 0.342 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888446 CUSNFDCXJWHQKV-LSDHHAIUSA-N 443.501 0.311 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1=O 920434102 PNGILKWTEHLSEI-UHFFFAOYSA-N 448.443 0.043 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cncn1-c1ccccc1 1318134651 GQBXGJQJRAZVDJ-UHFFFAOYSA-N 431.460 0.988 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 1318541728 OKWPYYHXSCFNGQ-LLVKDONJSA-N 436.877 0.802 50 20 ICGD O=C(CO[C@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1330904631 VEEDNONOUKHYAX-KRWDZBQOSA-N 433.486 0.732 50 20 ICGD COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091420 DCZVWTRQCSOPMD-LXPZDEJYSA-N 449.508 0.253 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779838289 RHWREXBBQZFOKO-NRFANRHFSA-N 441.318 0.241 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782719133 VIFIXAGSQDLZNU-IBGZPJMESA-N 434.204 0.195 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1783880106 BLAPGJZHBATSBV-UTKZUKDTSA-N 436.940 0.467 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H]3C3CC3)[C@H]2C1 1783941869 VCYDBMLBAYSHRE-SWOJGRPISA-N 427.505 0.325 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783948206 GKIMSQVRVJUAOE-QGZVFWFLSA-N 447.344 0.525 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1784842019 FWVMCBQTYGQINX-JOCHJYFZSA-N 427.505 0.709 50 20 ICGD CS(=O)(=O)CCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149203 DJJZZBQLQJZCEI-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611416 ZZNGZEBFYYZJPO-BODMPHMZSA-N 433.509 0.092 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)nn1C 1789402403 PNLHSLYMBUKJIR-JYYRZZBQSA-N 433.278 0.713 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2)[C@@H](O)CCl 1792979664 AUMHNUZXYFHURQ-NBMJBFSESA-N 437.924 0.326 50 20 ICGD CSCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793406328 FEDUIIUJKOCCJB-YWVIFJGQSA-N 435.550 0.278 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(Cl)n1)C2 1796441327 ZFPRIWIQQGZSBK-IGRYJHFFSA-N 448.867 0.665 50 20 ICGD O=C(Cc1ccc(Br)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799030122 DXWSAVLNHHTBLR-ZWUHOBOKSA-N 446.729 0.576 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2)[C@H](F)Br 1799349259 VGNWMHPLPZYIOM-PKCZLINISA-N 430.230 0.704 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)cc(C(N)=O)cc1C)C2 1800977097 RLTLOOIHBLIIBE-KYHPRHEASA-N 437.924 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2 1801010836 YGCYJGJRFFGPAI-HHFGRBCNSA-N 446.470 0.682 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1802441641 OMSBRAJRTPMSPY-XYJFISCASA-N 426.970 0.736 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803142531 XVSBLMXBPCHOPZ-UKPHBRMFSA-N 431.880 0.495 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(=O)C1)NC(=O)NCc1ccccc1 1804161140 ZGAFNSFFJVNBEM-REPLKXPHSA-N 441.532 0.950 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncccn1 1805777588 ZSQUVUWMHILAAR-IEBWSBKVSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361978 JHMIDJFOPIJWNM-GCJKJVERSA-N 445.288 0.114 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369396 IQEXYMLZCREBRW-XLIONFOSSA-N 433.277 0.128 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808294663 BCPQWGMSTAHCKI-PWDMQXDWSA-N 444.363 0.917 50 20 ICGD CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)CN)sc2C1)NC(=O)NCc1ccccc1 1814788291 ZJCBVUNNPNZTGO-CQSZACIVSA-N 445.549 0.360 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815347586 FPGPNNPQPWFABS-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cccn2c(O)nnc12 1816962997 WEOBMFRCNCXMDV-KWQFWETISA-N 436.881 0.717 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(CO)on2)n[nH]1 1820348323 APWOUXTYIDNIQF-HNNXBMFYSA-N 433.469 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 1821747061 GBOUWTGQWGWOGD-JTQLQIEISA-N 449.493 0.978 50 20 ICGD CC(=O)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821981222 NPDGAEURAULFNU-MRXNPFEDSA-N 442.480 0.240 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1 1822412842 HUYOPPBBFQGJRR-HNNXBMFYSA-N 433.513 0.397 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nn1)CC2 1826080564 RDILTZKZNMOSRS-JTQLQIEISA-N 433.494 0.238 50 20 ICGD Cc1cnn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)c1 1827053024 SWPWYOPQFJWJBN-NRFANRHFSA-N 438.337 0.805 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830199588 BAGMWZLQAHQZHB-WIYYLYMNSA-N 440.924 0.820 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830533430 NJGGKUWPEQMRHM-PMUMKWKESA-N 448.358 0.389 50 20 ICGD O=C(CCOc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725796 RVOGKBGJQIROLC-XLIONFOSSA-N 426.897 0.512 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834666171 KTWLGFPZARJGFA-HNNXBMFYSA-N 438.893 0.300 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1834823114 JKTKAPYMBSPKIZ-QGZVFWFLSA-N 431.283 0.627 50 20 ICGD CC(=O)O[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(C)C 1835646053 CVCMCGZUROUAFD-ROUUACIJSA-N 431.961 0.745 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837807450 WSFJBORZBGNPST-XJKSGUPXSA-N 433.278 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956903 RPNMWPMGCRRZSD-NRFANRHFSA-N 436.484 0.269 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839197965 NWSUJLXSCHOPSB-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1839964354 PAHRPWCCCBTHDV-LRDDRELGSA-N 430.303 0.357 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1839966207 XLQVLWMXTGYSJM-GUYCJALGSA-N 429.315 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840150973 UWIAIPNEUXOBCV-QFBILLFUSA-N 427.885 0.171 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1840152202 ATRJHBXXSMUQGP-ZQGRQUNCSA-N 440.928 0.783 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1ccc(O)cc1)C2 1844263254 KLZNSPKZXMSPHK-UHFFFAOYSA-N 425.445 0.287 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCc1ccc3c(c1)OCO3)C2 1846384509 BBAKKPXBASQQQR-UHFFFAOYSA-N 430.505 0.924 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCOCC3)c1)C2 1846385754 RKBZPHLAAZAJOX-UHFFFAOYSA-N 443.548 0.713 50 20 ICGD O=C(Cc1c(F)ccc(F)c1F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847962281 RATXXQKLBCDQMD-ROUUACIJSA-N 432.207 0.842 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)N1CCCCCC1 9889809 MRZIKKYKTQLTTB-UHFFFAOYSA-N 438.506 0.300 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 728312130 CWYWXWWBNHKEIY-UHFFFAOYSA-N 430.486 0.784 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 728723254 OABXXBGMSVKJFE-UHFFFAOYSA-N 427.442 0.544 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1 729611830 UMNPHRKNJMMYQD-UHFFFAOYSA-N 436.480 0.585 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)n1 729614314 DHWJAZHPPRLIEP-UHFFFAOYSA-N 429.529 0.223 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730673414 UPSUSCJUOPZVCL-UHFFFAOYSA-N 430.552 0.391 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686504 POSWBBYHGRETSM-GOSISDBHSA-N 427.509 0.223 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2ccc(OCC(N)=O)cc2)CC1 734821472 KTKBETVBNPWFLO-UHFFFAOYSA-N 435.481 0.894 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C\c2ccccc2OCC(=O)NCC2CC2)c(=O)n(C)c1=O 734832142 CYYXTCWFTXGYND-DHDCSXOGSA-N 437.456 0.361 50 20 ICGD COc1ccc(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735117028 LQWWNCRJTRVOHX-UHFFFAOYSA-N 435.506 0.548 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(F)cc3nccnc23)CC1 735118679 XQMZXZBGKLLEQO-UHFFFAOYSA-N 445.480 0.857 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccn3)nn2)c1 742472198 YHFBLNIPDKWNDC-UHFFFAOYSA-N 429.462 0.047 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 742477298 FVIXZRALZWLUMG-RFKJWAKASA-N 445.472 0.553 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2C1 748095241 OXPMDNUDVACHSF-LBPRGKRZSA-N 430.552 0.479 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C3CC3)nc21 748240606 HQTOBMSQYIZKBQ-UHFFFAOYSA-N 428.449 0.168 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCSC1 748966521 OGIUIPJLJATSKN-AWEZNQCLSA-N 428.536 0.547 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Cc1ccc(Cl)cc1 749888930 SFLYQFOVSLZNHZ-UHFFFAOYSA-N 439.867 0.908 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 751282080 JBHMQFWQZCDICL-UHFFFAOYSA-N 448.379 0.311 50 20 ICGD COC(=O)c1coc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 753948499 AHXLTPKJVBMKQU-UHFFFAOYSA-N 434.430 0.980 50 20 ICGD Cc1csc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2nc(C)cs2)N2CCOCC2)n1 755743218 MCIVDQVQFVHWMY-AWEZNQCLSA-N 449.562 0.908 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 757871225 DXVBQHAHUVYZPU-XJKSGUPXSA-N 449.489 0.852 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 763174098 JCIVSERXYFDCOS-GOSISDBHSA-N 426.477 0.582 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 763717923 CZFZDBRWTUZYBE-UHFFFAOYSA-N 444.469 0.349 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 763998413 HOKXAMJHKYIUQR-UHFFFAOYSA-N 433.490 0.599 50 20 ICGD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002626 OWEHHYZSUHFLIN-CQSZACIVSA-N 425.507 0.912 50 20 ICGD CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764003070 XNFKTEOBOZBRPI-NSHDSACASA-N 425.463 0.163 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764077884 OLOSZAKRIPKMFC-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)c1O 764132110 JWBBXWWRLBENGF-UHFFFAOYSA-N 428.401 0.753 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1C 764221749 YFUBPFAWLOPTES-UHFFFAOYSA-N 427.248 0.644 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 764226240 GYZBGLPOFIWALU-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD CCCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 764813025 UGUDYLYBWHKJBH-UHFFFAOYSA-N 427.421 0.663 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)OCC(C)C)CC2)cc1 766635829 GIOMZLIKQAOWML-QGZVFWFLSA-N 440.566 0.510 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 770436554 XDNPUFMFBVJRDR-RHSMWYFYSA-N 441.554 0.380 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2c(F)cccc2Cl)cn1 770811517 OXGVLSXPIYESES-UHFFFAOYSA-N 425.852 0.435 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771268728 TYHFUFKCXUULMR-NRFANRHFSA-N 426.429 0.932 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 772095575 KMECDXXMCAUNPW-OLZOCXBDSA-N 428.511 0.548 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 773479821 KQTAFPZPXFRJFN-PCLIKHOPSA-N 445.505 0.988 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1F 773723605 DHHXNCIFFOFBBL-SNVBAGLBSA-N 448.411 0.388 50 20 ICGD CN(CC(=O)NNc1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 776534053 MDXPIYNLVDVVGL-UHFFFAOYSA-N 442.475 0.762 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 777596348 RRTQAAREDVJYOY-UHFFFAOYSA-N 437.503 0.564 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1C#N 784004009 TWXPUZDNMJVRNH-UHFFFAOYSA-N 429.458 0.923 50 20 ICGD NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(F)cc1 786390677 IXMMKKAFJHGYCX-OAHLLOKOSA-N 436.827 0.679 50 20 ICGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 788478701 VAISLCNKHPSQKQ-UHFFFAOYSA-N 441.491 0.093 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc(S(N)(=O)=O)ccc1Cl 795150237 ALIFGESPHDGKQY-UHFFFAOYSA-N 432.911 0.995 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NO1 798945197 IWNSZIFUOLSMPG-SNVBAGLBSA-N 425.467 0.295 50 20 ICGD O=C(NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)NNC(=O)c1ccc(-n2cnnn2)cc1 802334088 SZIDYFDOODLUQJ-KRWDZBQOSA-N 448.443 0.734 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1C 808069515 YXIQGKVYYCVKBQ-UHFFFAOYSA-N 439.446 0.411 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751655 IOOCXFRWBFIYTA-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)ccc1F 815752059 AKNHUWRAHSFBGG-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD O=C(CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)NNC(=O)c1ccc(F)cc1 897541865 ZHPULYFWXJBBJH-UHFFFAOYSA-N 428.420 0.773 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912921726 UEEZSEQQDYNBNW-GJZGRUSLSA-N 426.539 0.634 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c2ccccc2c1=O 915190914 RWGMLIISWCHYNJ-UHFFFAOYSA-N 449.514 0.778 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1[C@]1(C)NC(=O)NC1=O 917717414 QMZULKOQXBDSLD-SFHVURJKSA-N 436.446 0.583 50 20 ICGD O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 918586920 QPZSPWSVOXPYQO-UHFFFAOYSA-N 441.356 0.416 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1115917034 IETLLYIMDZMTFQ-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 1318222091 HRPDWVGCCYMNFQ-UHFFFAOYSA-N 427.513 0.165 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777723405 APWCKNABXPQYDG-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc12 1778497527 ZYZTXWPQILQELI-XMMPIXPASA-N 447.300 0.913 50 20 ICGD Cc1cccc(F)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034670 SDBXNGWPVRSGNI-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2NC1=O 1780176948 NUQBKLABQNNFER-VHPWJVAPSA-N 437.880 0.449 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771721 PEHCUNQZBGDULM-SCDSUCTJSA-N 429.308 0.235 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2)[C@@H](F)Br 1780776568 HBOJJVXTSUMHDP-SRCQZFHVSA-N 445.289 0.448 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781232646 MWAQFIDFEZXOAK-HOTGVXAUSA-N 425.382 0.537 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782594651 AATSQVABSKZIBS-ZOMKSWQUSA-N 443.346 0.779 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1783349201 JOVCWOYLGDPFKY-JJRVBVJISA-N 434.331 0.141 50 20 ICGD O=C(Cc1ccccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786512283 RYONRMRUDKLLIZ-CUWPLCDZSA-N 440.280 0.342 50 20 ICGD CC(C)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)C 1786963051 XKJMEYPITXPRFY-NTLWEQJWSA-N 439.601 0.362 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1791058687 BGKDKRHJOBORHD-OAACRXHESA-N 441.282 0.552 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1N(C)C 1792978762 ORUHFQMUAOGLFT-CXHZTBPHSA-N 425.913 0.564 50 20 ICGD N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cccnc1 1795678612 PMNIHDLYAOZTRQ-BASYENTBSA-N 425.327 0.846 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cncc2cnccc12 1796191901 NIHWZNDNVHCEBC-REPLKXPHSA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc2c(n1)OCCO2 1796284860 VYIXGBSDDQSCHJ-RDBQEKCUSA-N 444.257 0.747 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccs1)C2 1796440848 BYOBIXFDVBSDQJ-NECFCHHASA-N 430.490 0.480 50 20 ICGD COc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796682925 WZWIPUMTIUQESX-DPIQGUFMSA-N 445.501 0.272 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(F)(F)C(=O)O)C2 1796892261 TUHVHRHLXRODNP-PNEZKNQNSA-N 439.419 0.869 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798372561 YXONEJJSRQDBNQ-NWJSVONSSA-N 427.299 0.862 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1798544765 AIGWVFMADADBIN-KOZDUTSQSA-N 430.860 0.646 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNc1ccc(F)cc1)C2 1801013447 YTUYLCCWKOQIDU-USGNIVHTSA-N 435.500 0.200 50 20 ICGD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804692952 XUBZVRWQPWGKAK-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366185 XPULUNLXWCFQLK-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366487 ZLJQMQMXWQMDNU-DYESRHJHSA-N 448.263 0.929 50 20 ICGD Cc1noc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n1 1810091156 FKLORLXCGFJWOI-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)C(=O)Nc1cccnc1 1810459566 RLTHJHCEPYILPS-UAGQMJEPSA-N 431.880 0.721 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1813030594 DOMIHSUVJCIFMB-VYDXJSESSA-N 441.985 0.825 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1814910875 KSXOSQRDSFSTDY-SNVBAGLBSA-N 435.510 0.621 50 20 ICGD O=C(Cc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814995650 LTJFXCNFYATSPX-GOSISDBHSA-N 434.265 0.428 50 20 ICGD O=C(CN1CCCC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817157089 JNDNCUZZYLUEPQ-KRWDZBQOSA-N 439.281 0.018 50 20 ICGD O=C(CCn1cncn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822680409 HRVZKRHKNVOTBX-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(=O)c2cccn2C)n[nH]1 1822872460 GIECSEKMCYQGAB-HNNXBMFYSA-N 443.508 0.996 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC=O)sc2C1 1822892767 ZNRYQINARXUPNP-SAWOXTEMSA-N 445.505 0.324 50 20 ICGD O=C1CCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826726173 SGCPPZAIUPXXMK-HXUWFJFHSA-N 441.337 0.222 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826841126 UPTUZMQPRLBCBN-NDXORKPFSA-N 429.370 0.973 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)no1 1828987179 PHQWIROFDFGZCD-IAGOWNOFSA-N 440.928 0.932 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833202983 GRKWCJXPFVKRRI-RVKKMQEKSA-N 443.342 0.759 50 20 ICGD Cn1nc2c(c1C(=O)N1CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC1)CCC2 1833312277 OHHKJYVTWUEYFP-SFHVURJKSA-N 437.972 0.694 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cnn1C 1834426132 PTDPRXMBGBYESK-BBRMVZONSA-N 433.278 0.489 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1834801199 UCULHOSPWZNEKV-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1834823932 NOHOXVIHOARVPG-MRXNPFEDSA-N 432.271 0.022 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccno3)CC2)CC1 1837458184 CZWFVMDDORFXDA-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530585 NZUUFWSDOFYXKQ-HXJKKYABSA-N 447.916 0.226 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n[nH]1 1837711914 ACQKWCVNSVDKBG-LJQANCHMSA-N 438.557 0.534 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1O 1838972535 HKARHISPEGEZLP-KXBFYZLASA-N 428.869 0.071 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199740 STGLAISYBHMAFS-DOTOQJQBSA-N 448.264 0.910 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540462 FVEIHPMRCUHUNA-UZLBHIALSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840034107 AKIFIXWIYQEFFC-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035234 KTLIWVGJZZJIOV-XHPFXEFZSA-N 432.315 0.266 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1840151109 VOFVPVGKBUBKAP-YRNRMSPPSA-N 447.960 0.247 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840265100 LBTMXJJAKHFJEY-PXNSSMCTSA-N 426.897 0.381 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014313 XCPXXRJHECMEPG-SFHVURJKSA-N 435.289 0.447 50 20 ICGD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1OC 1845423208 NTBSUSWCYOGPED-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1OC(C)C 22759853 JQKKHEOGTLWDOP-UHFFFAOYSA-N 441.444 0.503 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCOC1 727705558 VCXQETIVEMSAJY-INIZCTEOSA-N 425.507 0.214 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2ccc(Br)cc2Cl)c1 728977356 HSBJFCWSMPFZPZ-UHFFFAOYSA-N 436.675 0.408 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccn2)C1 729396777 AHEAZUFFWXVRQY-HZPDHXFCSA-N 438.488 0.363 50 20 ICGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731594453 HPLJEZMMMUDBIA-SECBINFHSA-N 432.501 0.432 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cc(OC)c1OC 732305748 QWZHRVYFCUJJCK-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD C[C@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 734298732 JKWKZVUJMMCTLG-AWEZNQCLSA-N 430.534 0.728 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741283000 FFJOFPZYWDXPJH-UHFFFAOYSA-N 435.481 0.334 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745449891 XNWUCGRRPSALGI-LRZXTXFSSA-N 449.847 0.195 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CC1 748674183 MPBVDYYFIHKETQ-UHFFFAOYSA-N 444.510 0.736 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@@H]2CSCCS2)CC1 752622745 ZEZWPDOIMDMWEC-CYBMUJFWSA-N 431.609 0.700 50 20 ICGD CCn1cc([C@H]2C[S@@](=O)CCN2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 753813255 TZSFOVXXWAZBPH-MKTHODDLSA-N 449.533 0.487 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2n1 754778648 ZOMQTSUDGPSUFV-UHFFFAOYSA-N 435.444 0.142 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)n1 756757356 AUNZHDNZOLSMLU-UHFFFAOYSA-N 433.450 0.286 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 757724375 GCAYDXVIPFYWPU-SECBINFHSA-N 432.384 0.874 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F)CC2)cc1 760447447 DBEOECDXRUHZIT-UHFFFAOYSA-N 443.470 0.717 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ncccc2C)c(OC)c1 761273410 OXGOGCCIWPADAH-UHFFFAOYSA-N 428.492 0.784 50 20 ICGD NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)c2)CC1 763568596 NVBSKPMNSQCAKZ-UHFFFAOYSA-N 441.463 0.923 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763648752 VBYRLMCCPCEFLB-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763808541 YAPHEKCYJSBLQH-ZDUSSCGKSA-N 439.428 0.697 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764280301 MHBXONPORIWDBK-UHFFFAOYSA-N 439.421 0.490 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435438 VDDIUDKLCFWUID-QWQRMKEZSA-N 446.504 0.614 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764564477 UWNIKOVTIRCKQO-HNNXBMFYSA-N 444.467 0.659 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 765305238 YPTPMTTWSUEUQJ-UHFFFAOYSA-N 442.501 0.947 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@@H](C)O)cc1 767303676 ISYAMBAMQNOZIV-ACJLOTCBSA-N 439.465 0.388 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)n[nH]1 768274730 XSSKAWXHYDEOEF-UHFFFAOYSA-N 429.458 0.949 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)c1 768471271 LVIWEWPFXFNVEX-UHFFFAOYSA-N 448.482 0.361 50 20 ICGD O=C(COC(=O)CCc1cccc2c1OCO2)NNC(=O)[C@H]1COc2ccccc2O1 770448827 SDNKMCBOCUWUQC-QGZVFWFLSA-N 428.397 0.879 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(Cl)s1 770636338 SLHHAODQMDBVMV-UHFFFAOYSA-N 441.896 0.138 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2c(F)cccc2F)cc1 773706222 YNIGIBGDMINXPI-UHFFFAOYSA-N 428.417 0.971 50 20 ICGD COCc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 774610629 JHOUSDDSSNQUKI-UHFFFAOYSA-N 433.895 0.757 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 780160124 XTBUCMMZSXLDJH-UHFFFAOYSA-N 436.520 0.794 50 20 ICGD O=C(Cc1cc2c(cc1Br)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 784359603 JSACFFMDUUUBCW-JTQLQIEISA-N 448.295 0.280 50 20 ICGD CC1=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)n2ncnc2N1C 788262347 WDYGNXUSLHKYDX-GFCCVEGCSA-N 433.494 0.274 50 20 ICGD C/C=C(\CC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 789740902 GSRNJSDOTZSDIK-AYSLTRBKSA-N 438.488 0.932 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 790391380 IMQSYULWWYNESP-QMMMGPOBSA-N 444.304 0.576 50 20 ICGD COCCOC1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 792808077 VUESJYIZLSTZLM-UHFFFAOYSA-N 427.523 0.920 50 20 ICGD NC(=O)[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(Br)c1 792884508 UVOGQHSPZQBNCQ-ZDUSSCGKSA-N 438.238 0.329 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc(Cl)cc1C(N)=O 793024113 ZGOJFIARMVXXEW-UHFFFAOYSA-N 444.835 0.803 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2ccc(C#N)cc2)n1 793035900 SKADVUZIYPZHPQ-UHFFFAOYSA-N 437.460 0.406 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 799259144 UHOJFTDDXNKFNH-LLVKDONJSA-N 439.881 0.355 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNc1ccccc1S(C)(=O)=O)C(F)(F)F 805768260 WAJFZVAHRVPHED-LLVKDONJSA-N 432.446 0.539 50 20 ICGD COC(=O)Cc1sccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 815454633 ZLPYMKIQRRLJCW-CQSZACIVSA-N 434.426 0.608 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 815691768 ATKMGECFASOTJY-ZDEQEGDKSA-N 429.506 0.987 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(OCC(F)(F)F)c1 815693443 XOSUIRLWLLUSSJ-NSHDSACASA-N 440.382 0.876 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912952847 NZNLEIOPILZFGC-VTZXFWRVSA-N 437.562 0.776 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)ccc1OCCC(C)C 915357367 BMUXCEAROBGRBT-UHFFFAOYSA-N 427.523 0.612 50 20 ICGD CCC(CC)N1C[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 915616417 MCVQURWXEZKXSQ-OAHLLOKOSA-N 438.550 0.800 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCCCC2)cc1 916195838 HQMSHPCGNJQGJT-UHFFFAOYSA-N 425.555 0.822 50 20 ICGD C[C@@]1(NNC(=O)NCCNC(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 918141504 YVRMFQZIHGWCQV-OAHLLOKOSA-N 433.328 0.560 50 20 ICGD Cc1sc2nc(CC(=O)NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)nc(O)c2c1C 920365570 SBZVXXGJJFXPCP-UHFFFAOYSA-N 442.461 0.393 50 20 ICGD COc1cscc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030208 JXIPBWGYEQDVOS-FQEVSTJZSA-N 445.501 0.513 50 20 ICGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779032847 YJJJMZWFMWNKQR-HXUWFJFHSA-N 428.449 0.047 50 20 ICGD C[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC=CCC1 1779033723 CIOCHQCSAKOOKI-FCHUYYIVSA-N 427.505 0.875 50 20 ICGD COC1(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779034763 UPMHYYQVPUTCCE-NRFANRHFSA-N 431.493 0.088 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1779037366 XZCLROCPQUPBEJ-IBGZPJMESA-N 449.414 0.514 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783347626 NHZHCPVWGZPRES-BMIGLBTASA-N 430.259 0.935 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1783354058 MTILMEDLUGAVAC-GUYCJALGSA-N 427.299 0.859 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783879391 ROTSFVSSCHGLBZ-LPHOPBHVSA-N 436.933 0.140 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937060 FEKJCJITGZSPLH-KKSFZXQISA-N 449.577 0.765 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1783965792 RUDNHFDHFVMXPS-BJDJZHNGSA-N 444.286 0.942 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784103982 NAMMHOLJXAYQOE-QPPBQGQZSA-N 434.301 0.540 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(F)ccc3F)C2)C1 1785360180 OVPZLVJVFYRNKW-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)c1 1785587130 AGRNNVAMXGVKJM-FBUXBERBSA-N 433.889 0.613 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CCC(CC3)CC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786982102 MGJXAGFHQQJJIY-HVLHEWCSSA-N 440.349 0.930 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(F)F)no3)[C@H]2C1 1787142497 IHMUBEPPKSOJGS-HUBLWGQQSA-N 443.451 0.579 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c(F)c3)[C@H]2C1 1790067842 UCAYLELTCTYMOZ-MPGHIAIKSA-N 436.484 0.498 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797781212 XRPKESANEQYJTJ-ZCURGHERSA-N 430.278 0.557 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2)[C@@H](F)Br 1799346103 BVQQKCBUIYXKHG-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2 1801011269 FQDKOLRKUIGVIY-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD COCCOCCOCCC(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805527782 DVNZFXKTKBAAEG-QGZVFWFLSA-N 434.961 0.887 50 20 ICGD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1805688103 UFPCSLVGGCPVDX-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362624 LVSQIWODCLWCMX-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807649 AMHIIWJBGGRMEV-GLSBUQGYSA-N 436.365 0.884 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349974 BMKWGPOOWBSTRT-IUODEOHRSA-N 427.291 0.087 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CC(O)C1)CC2 1817276211 PPWFPGNLDUXHCU-GEXFVTLXSA-N 444.517 0.960 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(O)cn1)CC2 1826092049 JYWYRTWUSLYROD-ZDUSSCGKSA-N 446.533 0.771 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055624 GGQSKHXGFMVKNN-CTNGQTDRSA-N 440.305 0.926 50 20 ICGD CCOc1ccsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720282 VSYCZDKHADTXKJ-UGSOOPFHSA-N 432.926 0.817 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732417 XRZJVIKGDRWIIP-HDSFYLASSA-N 449.891 0.078 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c12 1830737061 ZRKJGWWGXMVIFZ-UZLBHIALSA-N 436.896 0.312 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1831837451 UJRCHPGJUYIBAD-HOTGVXAUSA-N 425.913 0.785 50 20 ICGD Cc1nocc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834249598 YFOOCZVJCQTVSQ-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1834822129 ALEPRCLYJIOTOD-PKOBYXMFSA-N 441.322 0.961 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834967597 YONOSRASXDPSPZ-YLJYHZDGSA-N 444.887 0.915 50 20 ICGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835240150 NRAHKZVHYPEIQM-WMLDXEAASA-N 437.331 0.137 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1CC1(F)F 1835446618 AJHCFBSXKQWQRT-GOSISDBHSA-N 435.280 0.207 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457319 OWESPHAWTPJZSD-YJYMSZOUSA-N 437.884 0.282 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837711226 ACVVUIUMCODUBG-FQEVSTJZSA-N 437.569 0.156 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839152801 KXECZIIWEWWTAF-XOIGSVRCSA-N 448.347 0.514 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840030302 IFZVQFUTWHAVMF-LPHOPBHVSA-N 446.386 0.958 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185909 ZYQVTAUMZBUYPQ-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186152 DEENSIIUACSQKL-QGZVFWFLSA-N 431.276 0.054 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1843346454 JBGFLFAGFOCOND-UONOGXRCSA-N 431.917 0.425 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845218340 YRUDZXMZFCXQRH-JQWIXIFHSA-N 428.262 0.489 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847513595 PJDBODNLHGPTBA-ZDEQEGDKSA-N 434.331 0.857 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 12666863 HDBQJTIMNWHCRJ-UHFFFAOYSA-N 438.510 0.353 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 21875049 YWFXQUZFLQTYLT-UHFFFAOYSA-N 433.442 0.511 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)COc3ccccc3F)cc2)NC(=O)NC1=O 726283371 YHHFFJXNGSXWEJ-HXUWFJFHSA-N 429.408 0.790 50 20 ICGD CCc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710772 RLGPVFHBVUNKGR-UHFFFAOYSA-N 425.493 0.722 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cccc(C#N)c2)c1 728828313 RYMLQSSVJJXDNI-UHFFFAOYSA-N 431.474 0.212 50 20 ICGD COc1ccc2c(C)c(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(=O)oc2c1 729275970 UJUOVJHXDOEJQC-NSHDSACASA-N 425.463 0.128 50 20 ICGD COC(=O)N(C)CCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 729533809 IMPMBBUUKCNFLT-UHFFFAOYSA-N 427.527 0.544 50 20 ICGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)o1 741143479 XJOYOQXLMDKWAD-UHFFFAOYSA-N 438.506 0.411 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c[nH]c3ccccc23)s1 741749203 WGIOPKUWARYFOK-UHFFFAOYSA-N 449.514 0.605 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc(C#N)n1C 742805440 IBKZHWSZSWAPNQ-SXGWCWSVSA-N 428.474 0.774 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 745861615 CVNQKVPPCZXYQA-OAHLLOKOSA-N 437.541 0.930 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)n(C)c1=O 746897490 ZUERRDFAPUGLSM-UHFFFAOYSA-N 435.366 0.858 50 20 ICGD Cc1oc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1S(=O)(=O)N(C)C 753605699 ABLYXGSRFRXLLS-UHFFFAOYSA-N 436.494 0.306 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 755266341 ACRKRRWHHWZALG-NSHDSACASA-N 427.479 0.874 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C(C)(C)C)cc2)n(C)c1=O 755349303 SXXUIMAKPADXDQ-UHFFFAOYSA-N 427.465 0.584 50 20 ICGD CCc1nnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 755405475 PCUBVOGKQDXONE-UHFFFAOYSA-N 440.507 0.588 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755533253 IJYAGUBXIWWSGA-CYBMUJFWSA-N 446.551 0.741 50 20 ICGD CC(C)Oc1ccc(F)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756329400 CIZIHDXPNWMPLW-UHFFFAOYSA-N 447.427 0.213 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 763659736 PRDJGLYVUWRYFU-UHFFFAOYSA-N 428.401 0.215 50 20 ICGD CCCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2Cl)CC1 764286673 ZVONVDJUDLQEGF-UHFFFAOYSA-N 447.927 0.924 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c2ccccc2O1 764369792 JNFIWFFBMIGCLD-HNNXBMFYSA-N 449.366 0.773 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 765119112 PZZYXIMNKNHOPN-UHFFFAOYSA-N 447.473 0.362 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 765126111 IIFMEKZDVZZEPB-UHFFFAOYSA-N 442.545 0.999 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 765241184 KSHGSFJPUSRZPO-UHFFFAOYSA-N 435.462 0.080 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 765249248 QKMVGSZDLQNKSH-UHFFFAOYSA-N 432.414 0.966 50 20 ICGD C[C@H](CSc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725873 UFLPXQNGEMTTMK-LLVKDONJSA-N 448.480 0.149 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ncn(C)n2)cc1 769122053 KNDDMNJIQGUJPC-OQLLNIDSSA-N 434.460 0.786 50 20 ICGD CN(CCCC(=O)NNc1nc(O)c2cnn(C)c2n1)C1=NS(=O)(=O)c2ccccc21 770971174 IKOYRPCSBIAQFJ-UHFFFAOYSA-N 444.477 0.373 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1F 772187685 ARUJZBAOAYHAIF-UHFFFAOYSA-N 442.856 0.465 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)CCc3ccco3)ccc21 778712942 MQEOUANYTMVPIZ-UHFFFAOYSA-N 428.445 0.924 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)nc1 783265168 VYZNBYOKXNVOHH-UHFFFAOYSA-N 435.510 0.938 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)sc2ccccc21 783351781 LRJUDKJNDLDNQD-UHFFFAOYSA-N 449.514 0.017 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)nn1 784002338 OAGAULBXVVYARO-UHFFFAOYSA-N 438.400 0.686 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 784003682 LRWBYUGOSXTHPO-UHFFFAOYSA-N 437.865 0.876 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 784004988 MYJWXIQINSYINK-UHFFFAOYSA-N 449.464 0.240 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 788167964 YLEFBDBBIMITEF-UHFFFAOYSA-N 431.946 0.972 50 20 ICGD N#CCc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 794592591 LWTCQZRHJAMFAF-UHFFFAOYSA-N 441.513 0.520 50 20 ICGD COCCn1cc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 800734375 OHGVRUAUKCDMII-UHFFFAOYSA-N 429.525 0.572 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C 800747638 NGOPOEPSMUFGDK-HIFRSBDPSA-N 425.511 0.290 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1CCOc1ccc(F)cc1 801817922 GXRHWUBFTIMMTK-GFCCVEGCSA-N 440.457 0.392 50 20 ICGD Cn1c2c(ccc1=O)C(=NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCC2 814689317 YNKIZBBFVVSTJJ-UHFFFAOYSA-N 444.513 0.877 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1N1CCSCC1 815692225 MKSDRJZJUPGZKW-AWEZNQCLSA-N 443.533 0.488 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC[C@@H](B(O)O)C2)cc1 864234602 XKEICDWBWMEUMH-CZUORRHYSA-N 430.357 0.561 50 20 ICGD Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 913229289 WRDOGPYYWPBDCO-GQEMFKIVSA-N 431.514 0.777 50 20 ICGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(Br)cc2)CC1 914543344 SBAARNDHQZRMAC-UHFFFAOYSA-N 449.327 0.582 50 20 ICGD Cn1c(CC(=O)NNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)nc2ccccc21 916636914 PHBMTSNYMYSZMB-FQEVSTJZSA-N 432.550 0.654 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1 917104470 YPDBZILNKRCKPU-GFCCVEGCSA-N 432.930 0.371 50 20 ICGD O=C(CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NNC(=O)c1ccccc1 917132459 ROBOOGYBICPAFD-UHFFFAOYSA-N 427.486 0.214 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2S1(=O)=O 917522106 BBVXLWSRDLWWBT-UHFFFAOYSA-N 431.426 0.697 50 20 ICGD O=C(NNC(=O)N1CCC(CC(=O)N2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 918002284 YTPXXBVKPNCZJB-UHFFFAOYSA-N 426.481 0.741 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 918117275 BRLKDTHCAGLWPA-QGZVFWFLSA-N 427.509 0.732 50 20 ICGD O=C(c1cccc(N2CCNC2=O)c1)N1CCN(S(=O)(=O)CBr)CC1 1320141108 JBUGVXFVBANQQQ-UHFFFAOYSA-N 431.312 0.656 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545406 JXCGIDJNCSAFMB-SQGPQFPESA-N 443.617 0.503 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1781097069 VBMBEVSVIPWLBF-MAUKXSAKSA-N 431.375 0.237 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781227819 QCKUJNGBIJQAKI-QZTJIDSGSA-N 429.109 0.046 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1781230349 RGTNHJZRXRXADM-MOPGFXCFSA-N 449.379 0.217 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1O)C2 1782209444 PSLALNLKJDLOAS-XMSQKQJNSA-N 432.521 0.893 50 20 ICGD COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1783936843 VKHBHHOQIRCRSX-HXUWFJFHSA-N 437.472 0.046 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249479 AIHKKYXEZSAKAW-MPTYRVRUSA-N 440.928 0.368 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1785478568 OBFHZFVDKRTRNY-YWZLYKJASA-N 445.944 0.673 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788794256 URIZXMNKXBYVAF-YXWQFLTLSA-N 440.928 0.772 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1790961586 OEJZZYPMUOEGJF-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792987793 BHICOZFMAPDVAM-MMWGEVLESA-N 438.286 0.095 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(C)(C)C 1793756056 JWDIZSBKNQBQTG-SNOXVSQISA-N 433.509 0.525 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2 1796440161 GDJHBZVRGSMRIK-GBQKICQVSA-N 444.517 0.409 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccs1)C2 1797750562 LDQMDLYKRRXTQQ-GFYLOJAKSA-N 441.513 0.663 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1cccs1 1797754473 YMEYYSZFNBBICJ-ZUMXRPEOSA-N 443.529 0.754 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797781211 XRPKESANEQYJTJ-KHQUWSPVSA-N 430.278 0.557 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(F)cc1 1799058368 HUNRYHFWUKHQRG-WTNVTLLGSA-N 441.887 0.192 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)Cl 1801150197 BXRSMVAQJOODNV-DJWYJNAASA-N 431.827 0.542 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803145943 JSJJXBZLKVAHGZ-RVKKMQEKSA-N 425.917 0.060 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2csnn2)[C@@H]1c1cccnc1 1803754052 PDGIATIBHYEKNI-KSSFIOAISA-N 431.522 0.626 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1804490368 BRXWOUCULOIWCG-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C2(F)CCC2)[C@@H]1c1cccnc1 1813683360 UGWCRGBROREKKT-MJGOQNOKSA-N 425.269 0.973 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472002 BBOYPAPQKVEOSC-MYGHRHJXSA-N 446.338 0.554 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1819463274 NPJVWDYMHOUXAW-SDBXPKJASA-N 449.327 0.905 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCn2cncn2)n[nH]1 1822684134 RBGQVTKGBKSGDP-OAHLLOKOSA-N 431.501 0.457 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccn(C)n1)CC2 1826085512 XVHIJUIZJZZHTO-LBPRGKRZSA-N 433.538 0.404 50 20 ICGD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054864 NJGXVAMUSARACZ-FQEVSTJZSA-N 432.326 0.263 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060447 IZEAACGWRRHUJN-FOIQADDNSA-N 429.326 0.124 50 20 ICGD COC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925366 JBVIOVQLDFWBIA-QGZVFWFLSA-N 446.508 0.274 50 20 ICGD O=C(COCc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723298 NBODBGSXAGQKIT-XLIONFOSSA-N 426.897 0.259 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(Cl)n1 1830731500 KGKLETZSZPRUMG-ACJLOTCBSA-N 448.303 0.413 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386251 RGWMXWAVHPYBFS-MGPUTAFESA-N 440.928 0.864 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834856509 NZRKZZVUMUANMS-UKRRQHHQSA-N 425.251 0.087 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1836717247 PPRPNNQXJKVZKJ-OAFZBRQQSA-N 427.973 0.925 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836864364 FNIZVHLUYSCZLC-KRWDZBQOSA-N 444.337 0.570 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837701079 BNJBRECFAPLRBW-XWIAVFTESA-N 436.336 0.370 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715295 HWNHPRWLZGFMRA-APWZRJJASA-N 439.589 0.222 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839965236 RDOZOCSXOGYPER-QWQRMKEZSA-N 446.342 0.307 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840036061 DCFUMPMWQQXXPB-CXAGYDPISA-N 429.315 0.202 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1840150525 NGWUNWWYOOQUOW-OXJNMPFZSA-N 441.912 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1840183499 HZDUHDQHYVDTSV-LJQANCHMSA-N 442.513 0.330 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457565 GEXQIXCVVUODER-HXUWFJFHSA-N 436.585 0.717 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014292 UTHUJGZCDAHPQR-UHFFFAOYSA-N 435.289 0.213 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1843326105 WGLWYMOLPJJOLU-QWRGUYRKSA-N 438.294 0.766 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843395645 POCIFKIJRKXSQJ-GFCCVEGCSA-N 429.506 0.459 50 20 ICGD C[C@H]1CN(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 726254994 JIVLRFPVOUZAMS-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728848678 ZSZNCNFKVYTTOR-JXAWBTAJSA-N 433.476 0.834 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CCN2)NNC(=O)[C@H]1COc2ccccc2O1 729723451 WXMXMSPXAYGBFP-QGZVFWFLSA-N 440.412 0.585 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 730451017 DRQQCTCYDYZNIY-ZWKOTPCHSA-N 443.591 0.721 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 733143141 BHKAGQVPQFVUOH-MAUKXSAKSA-N 449.577 0.903 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)n2)cc1 734993195 CSEFOMLZTZLYCW-INIZCTEOSA-N 437.522 0.707 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3c[nH]c4ccccc34)CC2=O)c1 735840911 QHEAPUDCNBHJIG-GFCCVEGCSA-N 441.469 0.629 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C)c1 741207320 RLCFRPKIYGHFQL-KRWDZBQOSA-N 442.538 0.265 50 20 ICGD Cc1ccc(N2CC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)cc1 745852075 LCQVMRMHENITCX-QGZVFWFLSA-N 434.456 0.991 50 20 ICGD CCN(CC)CCO[C@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 747501013 QLTHWYMTPPYTRF-SFHVURJKSA-N 433.557 0.867 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1 748837185 ADETVXKPZKKKQA-AWEZNQCLSA-N 448.505 0.254 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2ccc(C)o2)cc1S(=O)(=O)N1CCOCC1 752524297 BUNHRSKURHMAPU-UHFFFAOYSA-N 437.474 0.621 50 20 ICGD CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 753030433 GVYVAZDKGXAUFB-RKXCMPKHSA-N 443.493 0.039 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCN(Cc2ccccn2)C1=O 753289167 JPEPPVQPTUYWOI-INIZCTEOSA-N 425.445 0.988 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 754677055 XCUMEYIYABMZDN-CYBMUJFWSA-N 446.551 0.238 50 20 ICGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 755507729 FPMCBCVAJJJHBQ-UHFFFAOYSA-N 434.522 0.579 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(C)ccc2S(N)(=O)=O)c2ccccc2c1=O 757988848 VCVLKPUYFIWSBA-UHFFFAOYSA-N 443.485 0.837 50 20 ICGD CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 758848403 KSFJBACFFHJSOR-INIZCTEOSA-N 425.555 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 760695420 OURPMXKGXTWJQZ-QGZVFWFLSA-N 449.441 0.393 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 762986817 DOZJKWZYVFIMLC-UHFFFAOYSA-N 429.346 0.898 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 763530863 JPTMYVFHNDLIMW-UHFFFAOYSA-N 438.488 0.084 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763558546 LDJIAWDLYNJBIT-UHFFFAOYSA-N 430.392 0.791 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 763981275 ZHOJRONFCXULPQ-UHFFFAOYSA-N 437.478 0.452 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 763997182 XSNPMELTDPMWPG-UHFFFAOYSA-N 429.502 0.543 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 764041686 ZXAVOWXTNMCSGX-UHFFFAOYSA-N 436.446 0.277 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 764228273 WYUUXOJDDKTDGS-LBPRGKRZSA-N 445.457 0.374 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764242418 QKIRSXFXCIHQDN-UHFFFAOYSA-N 437.456 0.894 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764267296 RPGCSFJZKQSUCG-UHFFFAOYSA-N 436.428 0.691 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764279074 XEAITBKXKJXRNP-UHFFFAOYSA-N 428.401 0.509 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(I)ccc1Cl 764294432 ZIPCLKGYILEIST-UHFFFAOYSA-N 447.620 0.996 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 764329119 KXTUVJPGIWQDMI-MRXNPFEDSA-N 442.476 0.022 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1Cn1cncn1 764350768 LCSOGBZKYLXTGS-UHFFFAOYSA-N 430.428 0.912 50 20 ICGD CC(C)OC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCCC2 764433280 MCSFAYVRSIFQHK-GFCCVEGCSA-N 439.490 0.693 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 768243914 NTYPJINXBLBGNN-OAHLLOKOSA-N 435.481 0.375 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1 773525924 ZKFFTGFWCCLIEV-UHFFFAOYSA-N 439.881 0.450 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 777279898 VTFPAEXSSAIAOO-CABCVRRESA-N 431.515 0.215 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(C)c1OCC(=O)O 777938741 FURBWWWSXKSACC-UHFFFAOYSA-N 431.467 0.601 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1OC 779461444 JCXNZLNQIFHJQZ-LLVKDONJSA-N 440.482 0.039 50 20 ICGD Cc1ccc(C)c(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 783366316 BBZBTLKLRNOIEP-UHFFFAOYSA-N 445.501 0.506 50 20 ICGD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003652 KJORFKUUCFMPRL-LBPRGKRZSA-N 445.501 0.792 50 20 ICGD O=C(NNc1ncc(F)cn1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 784949957 RRVOEOVRBPJHKQ-UHFFFAOYSA-N 448.480 0.823 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCS(=O)(=O)C1 786425047 YGIOIMOVYJGVOC-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 787897877 DNVQGLBNCSIWKA-APPDUMDISA-N 433.914 0.890 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc3c2OCO3)c1 800830566 BJXIHXATKUORKW-UHFFFAOYSA-N 427.460 0.289 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 801109697 YWMLZZXUHSTZFU-PBHICJAKSA-N 448.501 0.117 50 20 ICGD O=C(NNc1ncccc1F)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 807301404 IEOKVOWROYCAPZ-MRXNPFEDSA-N 429.408 0.317 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1F 810384267 BOJIRNKKIRIASH-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)C1 815691124 FWUPAMMIHOWXMO-DOTOQJQBSA-N 439.520 0.859 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 816596423 BGHDZVRCFONRND-UHFFFAOYSA-N 431.430 0.239 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 916247189 HGWOHHGKCMNFLV-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD CS(=O)(=O)NCCNC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 916294594 QFUOARWSBXOJFB-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc(Br)cn2)c1 916724294 RHDWTMBFUAZTBG-UHFFFAOYSA-N 430.284 0.357 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)nc1 918698199 CAOMVYHQDVSBHX-UHFFFAOYSA-N 442.856 0.970 50 20 ICGD CCO[C@@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920444440 HCRJBLQXCKJLFV-AWEZNQCLSA-N 442.476 0.000 50 20 ICGD O=C(NCc1nnc2n1CCC2)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1317872101 WWZMDDCTYFLZTF-UHFFFAOYSA-N 433.494 0.153 50 20 ICGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)C2)cn1 1318626578 SLLCNNHKVPGFCI-SFHVURJKSA-N 440.552 0.542 50 20 ICGD N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779037359 XELWYCMDRMERFI-QHCPKHFHSA-N 448.483 0.508 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779068311 IJVBELAZSYJPPU-HNAYVOBHSA-N 432.901 0.576 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1C 1780781420 ONGKPLBPRIYMLR-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1781334121 MITKKERCMGISJG-KEYYUXOJSA-N 435.338 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1CCCCO1)C2 1782208912 AHMBYWJYSAAINC-NJNPRVFISA-N 438.569 0.833 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1782867751 ZQEUGCFMIPFRRM-NMQRCDEWSA-N 432.427 0.967 50 20 ICGD Cc1ccc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784429663 QEPZIANYVPJTGV-HYGBKTPJSA-N 440.330 0.893 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787398655 MFBUYPCVOXXQOX-HJWJTTGWSA-N 440.642 0.844 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788524322 MLDBUWNPBKYCHR-VMXMFDLUSA-N 426.322 0.728 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21 1788611756 ZJMPGDALTKCNPL-CQDKDKBSSA-N 447.492 0.793 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ccncc3)C[C@@H]21 1791288000 MNRKUIOLXKZOEY-SZMVWBNQSA-N 449.577 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21 1791291231 OZGAEVAIFFCQMH-ZULIPRJHSA-N 444.532 0.343 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@]3(F)Cl)[C@H]2C1 1791372061 VBUQBVZPGOFLSM-GPNFVODBSA-N 439.875 0.203 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 1792399342 BIBATKIIORRBTB-ZSBIGDGJSA-N 428.405 0.752 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)s1 1794688710 AZRRRTAHFCTPMB-DPIQGUFMSA-N 428.942 0.978 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796371501 ZJHQUWJJHZSQQC-YFUQURRKSA-N 443.878 0.997 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)OC(C)C 1797861596 XCGNUPUDFJDHCJ-YGADERNFSA-N 433.509 0.524 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799264894 SCOJIINQNXZZMD-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nn[nH]c1C(F)(F)F)c1cccc(B(O)O)c1 1799439497 OPGDNEUJYIXIOY-CLLJXQQHSA-N 437.187 0.069 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806105722 BCVAFQFJNMRDQM-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361816 XSFTWIBWRNXSLU-UGKGYDQZSA-N 436.321 0.177 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362016 YSCIQFZICRXRFA-PBEJRMEISA-N 437.305 0.672 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc4cn[nH]c4cn3)CC2)C1 1809978749 MWCYPRRTWSVREI-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2F)[C@H]1c1cccnc1 1810306176 VEJVJCPBMCFWBF-KCMWZYNZSA-N 426.452 0.758 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cccn1 1813428620 VJDCPGUUMFRCMW-PLMTUMEDSA-N 441.536 0.918 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)c1ccco1 1815350189 JMWYXUURSGAXLH-CYBMUJFWSA-N 439.258 0.525 50 20 ICGD CC[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690950 CWKLKDHBXVICTC-DTWKUNHWSA-N 428.316 0.915 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)[nH]n1 1822372848 OZOYUCYBQYOOBN-CFVMTHIKSA-N 429.905 0.807 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824184874 DXWVAVYOYIMBSF-RDJZCZTQSA-N 447.923 0.923 50 20 ICGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1)C(=O)C(=O)O 1826359396 BTJRLFVQQZNMBI-CQSZACIVSA-N 446.342 0.934 50 20 ICGD O=C(c1cc(O)no1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052356 HCWLOOMRVXWFNT-KRWDZBQOSA-N 427.266 0.607 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523377 ZNBWWLBVIIYMBA-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830722866 HUOLOEUQVBGEAY-XLIONFOSSA-N 442.944 0.288 50 20 ICGD O=C(c1ccnc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728797 YDBVCSGIJDRHGE-RXVVDRJESA-N 433.892 0.905 50 20 ICGD CSc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1O 1830730617 BCVSNSBKWOYYBK-IFXJQAMLSA-N 444.937 0.784 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830733443 MLQRQROMOZKGFV-OXFYSEKESA-N 426.897 0.510 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831645746 DHJCVLGQVGJRGY-BEFAXECRSA-N 431.917 0.693 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833201982 XMMZNSFAVXSGKJ-CKEIUWERSA-N 447.305 0.666 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310288 GDEFIGSSLDORTO-GOSISDBHSA-N 425.961 0.996 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833503723 KIEILWATZRLNOQ-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801356 AWOZTSOSSKEOEI-UHFFFAOYSA-N 439.365 0.745 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1Cl 1836232239 LHTJNZFLECOQBG-SGTLLEGYSA-N 449.335 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836908943 MZNNFVSELNVMMU-VLIAUNLRSA-N 436.896 0.887 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cncn1 1837717649 LLFICONYVVDDFI-MAUKXSAKSA-N 425.562 0.147 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1837920353 OJAOQUOKTQFWOV-KRWDZBQOSA-N 426.681 0.513 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C3(F)CC3)CC2)CC1 1838394703 PAXUXJYLGBOKLA-UHFFFAOYSA-N 433.484 0.799 50 20 ICGD CO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395500 XNZJBBYVZZAVPZ-CQSZACIVSA-N 433.509 0.332 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838742891 QZJNZFRPTOYSKD-GHTZIAJQSA-N 448.907 0.542 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839155418 SYAAUIMPSMYDPI-SJORKVTESA-N 437.320 0.632 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839965628 FTUIQSFVXFFRSO-ZBEGNZNMSA-N 432.271 0.624 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840150911 SKYBZTMXCQXWMO-GHTZIAJQSA-N 445.988 0.817 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1840152036 VFJATCUCDISNLA-QKLQHJQFSA-N 433.977 0.719 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnn3ccncc23)C1 1843782589 ONHGKBMYCBZMBD-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844264586 KFWLRQDRDGKNQR-UHFFFAOYSA-N 434.456 0.696 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846154564 UEQKTEQURLAZMR-LJISPDSOSA-N 427.929 0.902 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 109871307 MKQGKJQDSRYFIB-IBGZPJMESA-N 427.549 0.995 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nc(-c3ccccc3)oc2=O)c1 725909108 CFBYLEGVJJYVLA-UHFFFAOYSA-N 445.457 0.215 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 730514704 DJIAPHDSCKNDKM-GOSISDBHSA-N 433.534 0.889 50 20 ICGD O=C(NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H]1CCS(=O)(=O)C1 730534016 JIPDNHAIZFIKFK-SNVBAGLBSA-N 433.368 0.887 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 737636543 PMVHNJVZFJFLQB-UHFFFAOYSA-N 429.454 0.971 50 20 ICGD CCc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 741274994 AFOKOQHDOPTHLX-UHFFFAOYSA-N 434.522 0.780 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 744590325 SIOIDNSJOUBMEO-UHFFFAOYSA-N 428.376 0.955 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(CN2CCS(=O)(=O)CC2)c1 747325189 ZWWKGGUSMBZKTM-UHFFFAOYSA-N 445.497 0.763 50 20 ICGD O=C(NCc1ccc(OCCOc2ccccc2)nc1)NNC(=O)C(=O)N1CCCC1 748458514 BDJIMHHIGDZWFT-UHFFFAOYSA-N 427.461 0.992 50 20 ICGD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 751283499 WWKNBWIMTNIZFB-SECBINFHSA-N 430.533 0.746 50 20 ICGD Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cccc1S(N)(=O)=O 753890326 BTGWVIUPEKBUQH-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3ccc(C(F)(F)F)nn3)CC2=O)c1 755197357 JFNHEFZHTMUDLA-SECBINFHSA-N 444.395 0.639 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 756226102 WWRAJNBRVPQIOG-LJQANCHMSA-N 445.457 0.053 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 756292799 GNJLYSUNPBVVEO-UHFFFAOYSA-N 425.449 0.998 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccn(-c2cccc(Br)c2)n1 758048947 WVHUZXWJBFAHJA-SECBINFHSA-N 430.284 0.334 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)CC1 760449839 HIGVUFMPTJVBRJ-UHFFFAOYSA-N 434.559 0.891 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(C)o1 763586629 PDIJKGXSACVYHE-CHWSQXEVSA-N 446.464 0.128 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(F)c2F)cc1 763738621 WBGFCTMLDUJMCX-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1C 763841462 RNBOJNJHXPBCSJ-AWEZNQCLSA-N 430.465 0.142 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)CC1 764024135 AVOCSYRHLMYHPG-UHFFFAOYSA-N 443.529 0.393 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COCc2ccccc2)c2ccccc2O1 764363878 VWZAAUODOCNALQ-KRWDZBQOSA-N 427.413 0.318 50 20 ICGD COc1cccc([C@H](O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765177786 VGEPSIIOUGJTTL-FQEVSTJZSA-N 426.473 0.334 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)COCc1ccccc1 765617379 AHDKIJKVTZLKIV-UHFFFAOYSA-N 426.477 0.270 50 20 ICGD O=C(COC(=O)c1cc2c(cc1F)NC(=O)CC2)NNC(=O)[C@@H]1COc2ccccc2O1 768107365 HUEXSDZXEPECDZ-KRWDZBQOSA-N 443.387 0.855 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCS(=O)(=O)C1 768498260 ZLCQORIUAJSXAE-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 772075967 OQQHMRRBEVDTLK-OIISXLGYSA-N 435.477 0.884 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772194855 DPKLDBVTVFOESD-UHFFFAOYSA-N 438.893 0.716 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1 773069592 GIMWGSKRBVBGAO-UHFFFAOYSA-N 425.854 0.676 50 20 ICGD NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 777790088 NGKDHXYIWLNDIV-QAPCUYQASA-N 446.504 0.695 50 20 ICGD O=C(NNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1csc(N2CCOCC2)n1 781934334 RILXQMXZTSZBQO-OAHLLOKOSA-N 446.445 0.842 50 20 ICGD COCCn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c(C)n1 782554413 BLMWJMFTQLAEGV-UHFFFAOYSA-N 428.537 0.725 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 782897992 VDVZTJZJNLWHCG-UHFFFAOYSA-N 432.506 0.754 50 20 ICGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)ccc21 783428096 SZBCUFCVRMRHJU-LJQANCHMSA-N 436.490 0.341 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 784379467 MEIRMRGQKHUGNE-HUUCEWRRSA-N 446.416 0.464 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1O)N[C@@H]1CCS(=O)(=O)C1 790490795 CPTRELYLNUICOW-MRVPVSSYSA-N 439.231 0.128 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C)CC(=O)C[C@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 791133321 SBKXHOKQHTYCNT-IXBGWNDUSA-N 444.444 0.943 50 20 ICGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794495412 AEBLHPFSTIMURK-MRVPVSSYSA-N 443.334 0.851 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)sc2S(N)(=O)=O)cc1 798696538 PHGRZOFSCPWJBC-UHFFFAOYSA-N 442.862 0.539 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 802065851 KFSQBMRKGOVYDO-AWEZNQCLSA-N 444.469 0.762 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNc1ccc(-n2ccnc2)nn1 806385229 ZNIUWPPQTPPUKY-CYBMUJFWSA-N 431.482 0.984 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c(O)c1 806976775 WTEAXQRWFUTBQK-UHFFFAOYSA-N 438.437 0.490 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccc(C)cc2C)cc1 913164235 ASOBCPMXVYHODM-UHFFFAOYSA-N 447.517 0.800 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916556279 RZWBOZFMTSMHOE-UHFFFAOYSA-N 433.486 0.685 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 933580474 ULPAYJJINLUEBP-UHFFFAOYSA-N 447.448 0.398 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778873873 CVFUPWQCESLQBI-RYGJVYDSSA-N 437.880 0.805 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779522948 MSGIZHRVZUQISH-MRXNPFEDSA-N 427.255 0.403 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(F)cc1 1780904953 ZFRRNIGGKQTKCF-ABSDTBQOSA-N 441.887 0.433 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1782146723 GRLHXIXAXXFCJX-CRAIPNDOSA-N 448.900 0.272 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1782178272 KBPBBMYDKNMMPF-QMTMVMCOSA-N 426.901 0.623 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783355409 QQEZCOHXMFMBKZ-LRDDRELGSA-N 435.388 0.474 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784085199 CXTMIYNFGKDOHR-JNNCMOEMSA-N 430.929 0.545 50 20 ICGD Cc1ccc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978770 RWJGCANJQIACIX-NDXORKPFSA-N 440.280 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788257139 APOTXDJAAFHAEE-GVARAGBVSA-N 427.864 0.144 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3)C[C@@H]21 1788610939 FRUKPSSMTZWGHT-OSMBCOQSSA-N 433.534 0.174 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056423 XZUWJXXYGUYFSO-VOAKCMCISA-N 435.388 0.234 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791057428 UWBRAJVGGFVKBH-UHXUPSOCSA-N 428.283 0.462 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc(OC)c3OC)C[C@@H]21 1791254538 WITIQTHJJVSODY-AYDFFVQHSA-N 441.912 0.946 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792895773 QACBOROYJIATRG-XGUBFFRZSA-N 443.928 0.687 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978513 FEHACJZJODIYNF-AQCWLDMPSA-N 441.887 0.133 50 20 ICGD COC(=O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793590450 PTLFTAQZGOOGSE-BFEVCPCASA-N 449.533 0.665 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2)c1ccc(B(O)O)cc1 1795736983 QRYITNVMMBHCJX-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3ccncc13)C2 1798440647 VAGCKCOQIKNKLP-BTTYYORXSA-N 434.460 0.293 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2)[C@H](F)Br 1799348247 FMBBADLXULBUAY-NVIQENEESA-N 433.230 0.697 50 20 ICGD CN(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799864696 IZPOIFURPIJRRR-ACDBMABISA-N 444.580 0.923 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(s1)CCC3)C2 1801009603 QZIVNGHWWIMUPQ-YVWYUNDQSA-N 434.562 0.813 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)CC1 1802335000 VVOIEIVXCDAXIG-BGRQEXKUSA-N 436.553 0.977 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804347941 KBNLUAAIECBFKF-NTZNESFSSA-N 428.276 0.489 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363577 AHUCPKZBFPUZRA-ZRCAFCQKSA-N 437.305 0.696 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)on1 1809968855 GUUIPEXUYUXGQS-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972203 DPMFLSLDXQEACC-UHFFFAOYSA-N 444.337 0.801 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnc1 1815003187 OHQJZCQKPDJCOL-KSSFIOAISA-N 436.281 0.853 50 20 ICGD CC[C@H](NC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815307215 MQMUUCYQILETSM-GWCFXTLKSA-N 431.522 0.365 50 20 ICGD Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)no1 1817235578 UESMZJFHHGWGEB-ONGXEEELSA-N 441.897 0.980 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819261938 IMOQFOUHFWWHBM-NMEJYPJZSA-N 446.338 0.554 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972474 NXTOZRRRDFFMIB-CABCVRRESA-N 428.917 0.412 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1cccnc1)CC2 1826083822 SSHBSJREGUZWOB-CYBMUJFWSA-N 446.533 0.902 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)C1=COCCC1 1826175203 HYWAKRDJCDEOEN-OAHLLOKOSA-N 427.291 0.743 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1 1826353246 RVICUUFCRIGBFI-CQSZACIVSA-N 443.342 0.943 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCBr)CC2)N1 1826353298 VCHSSLLZZHXZRZ-KGLIPLIRSA-N 443.342 0.989 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1827053086 BIQNDBLMHFHFNP-UZLBHIALSA-N 439.325 0.452 50 20 ICGD CCSc1cccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731647 LPJWEPAFMOXVLZ-AUUYWEPGSA-N 443.953 0.863 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832433714 SIIFQEYEIHHRKJ-UWJYYQICSA-N 440.924 0.738 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1833339769 SGHGVNYIFDODKA-GOSISDBHSA-N 445.303 0.914 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833686380 FVVLJRZKTWEFPP-YJYMSZOUSA-N 444.891 0.750 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1834408923 KWPBAIRUTVKOPF-CXAGYDPISA-N 429.315 0.756 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588816 HUTJAKMUKGYFFE-IUODEOHRSA-N 429.359 0.620 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835960329 YLYKPFXWFXWEMT-SYNHAJSKSA-N 441.912 0.572 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836671260 STDAXHGBLQJJEU-GFCCVEGCSA-N 432.363 0.499 50 20 ICGD O=C(NCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccco1 1836716655 HMVLZLGVUVFIKM-MRXNPFEDSA-N 441.912 0.608 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083318 QDBCGANFRZTEKF-GTACMHHNSA-N 431.892 0.378 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839102986 ABIDZEIYNLNULV-FUHIMQAGSA-N 430.977 0.096 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031840 DNWMOIZZYAXZCX-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840034005 XEYHOLRRAALNNK-GUYCJALGSA-N 448.314 0.069 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840483478 OVDPOGNZMCBWJE-WMLDXEAASA-N 446.273 0.355 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840872592 ZARSUHRZYXDDCQ-IIDMSEBBSA-N 433.343 0.900 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Cn2cccn2)C1 1842119861 DRLAROFRAZBFNJ-HXNWEGJNSA-N 425.493 0.857 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nc3ccccn3n1)C2 1843415813 QRYJWUKRXBHKAI-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnn3ccncc13)C2 1843415932 FFFVDXNXXRUAIM-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)[C@H](C)CBr)C3)no1 1844308209 SNLVBQUEIVHICT-LLVKDONJSA-N 427.299 0.947 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1844317351 ATGYMQYPZMMEGX-CQSZACIVSA-N 435.380 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(N3CCCC3)ccn1)C2 1846384741 CJERQBQRBWMHHO-UHFFFAOYSA-N 428.537 0.872 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)C2=O 13082412 VANIMFGLZWKPQJ-UHFFFAOYSA-N 440.460 0.840 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 728204230 ZEGUCVOPBOHVEA-PBHICJAKSA-N 445.497 0.732 50 20 ICGD COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2 728340326 VMTRMFTYEPVBAV-KUHUBIRLSA-N 442.424 0.777 50 20 ICGD O=C(NCc1ccccc1Cn1cncn1)NNC(=O)C1CCN(c2ncccn2)CC1 728944804 DPWCKTSUXFUAPL-UHFFFAOYSA-N 435.492 0.863 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 729509587 WALBOAFUTLNPBD-HNNXBMFYSA-N 433.432 0.385 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 732264581 VNNMEADLBJTBPB-GHMZBOCLSA-N 438.959 0.327 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCOC1 739472700 XHLHIXKQCJKLMV-MRXNPFEDSA-N 425.507 0.214 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cccc(Br)c3)n(C)c2n(C)c1=O 742773489 UZPFCAUMWNQEIA-UHFFFAOYSA-N 434.250 0.413 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 746001520 OPVAWERFANEYQJ-UHFFFAOYSA-N 440.263 0.458 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSCc2cscn2)CC1 747591372 XQUAGUMCNTVMHC-UHFFFAOYSA-N 442.592 0.851 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)N1CCCC1 748240278 QZOJSBLGERXPMN-ZDUSSCGKSA-N 426.395 0.824 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C1CCN(S(N)(=O)=O)CC1 748602170 KLZOMRMJISMZPE-UHFFFAOYSA-N 433.556 0.122 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 750335926 UUMUCJMNKUHZRR-UHFFFAOYSA-N 447.927 0.833 50 20 ICGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)CN1CCN(Cc3ccccc3Cl)CC1)CC2 750788742 OWQXRAABMKMZDE-QGZVFWFLSA-N 445.955 0.768 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 751297474 JYUVFEWVOFRYBU-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)o1 751742162 JPYCEMGNWUHQGN-UHFFFAOYSA-N 429.838 0.768 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 752504089 XDFRNCJDNYCFDX-UHFFFAOYSA-N 443.482 0.102 50 20 ICGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)(C)CN(C)C 754377131 GAHRLKLRTDDUEK-OAHLLOKOSA-N 441.602 0.620 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 754744771 MCJOHOIGTNTFMI-UHFFFAOYSA-N 430.533 0.859 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 755048832 GSXRJEXDAQMQOG-UONOGXRCSA-N 445.501 0.855 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC 756601520 NWPGNKQGCRAODR-PBHICJAKSA-N 427.523 0.752 50 20 ICGD Cc1cnn(-c2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2F)c1 757645325 OZNPTZQIDQBLKT-UHFFFAOYSA-N 442.436 0.919 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 758749289 ABCIITYBWSOZQI-DZGCQCFKSA-N 427.465 0.966 50 20 ICGD CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 762294507 VHPWHYABTBROKJ-UHFFFAOYSA-N 425.488 0.792 50 20 ICGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763805621 STYOCFBHDHGUJY-UHFFFAOYSA-N 443.416 0.898 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1 763835042 UXCWUGIWPXSJBZ-UHFFFAOYSA-N 430.486 0.971 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccnc2-n2cncn2)cc1 763861870 SEUQXPDVDLZTNN-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 763896636 PVYWEDVNJGOLFD-UHFFFAOYSA-N 440.478 0.660 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1OC 763901245 INVSKAPGTODCQJ-UHFFFAOYSA-N 428.401 0.825 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)Nc1cc(F)c(I)c(F)c1 764023667 BWQWKNRCCTVJCR-UHFFFAOYSA-N 447.139 0.759 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OCc2ccccc2)c1 764227265 MKJHZLVKQYIZLJ-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764275256 LBMYGYPXYXESBW-UHFFFAOYSA-N 430.417 0.072 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1C 764367142 UFAVYHOSWPVEFY-UHFFFAOYSA-N 434.474 0.206 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 764403812 CCCSZQMDMLPBEB-UHFFFAOYSA-N 430.421 0.990 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 765249249 MJTLSPKBHBHULZ-ZDUSSCGKSA-N 431.474 0.822 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1 765747855 IRSORJFTWLILJF-UHFFFAOYSA-N 438.532 0.742 50 20 ICGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 766280977 XBJZNBDGWJMDPW-CVEARBPZSA-N 437.522 0.330 50 20 ICGD CCO[C@H](CC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635631 BHIRGGJVYDDAFU-QGZVFWFLSA-N 426.539 0.264 50 20 ICGD COc1ncccc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637178 ZYHMDBTXWWILBH-UHFFFAOYSA-N 447.517 0.166 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644264 TYWBANZYTTUCIP-SFHVURJKSA-N 443.548 0.629 50 20 ICGD COC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 766949136 DFWBZHNBEJVDES-UHFFFAOYSA-N 431.470 0.879 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCCN3CCN(c4ncccn4)CC3)nc21 770385073 KCNNYRDPDHSBQX-UHFFFAOYSA-N 441.500 0.087 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 770772332 XABUBSDBBIOGAL-FQEVSTJZSA-N 437.500 0.918 50 20 ICGD Cc1cc2c(N3CCC[C@@H]3C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ncnc2s1 770883742 PLIOLYKZOJPWKA-DGCLKSJQSA-N 438.535 0.486 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)nc1 775455615 WQBCIXASZISVRR-TZMCWYRMSA-N 428.515 0.030 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 778626192 DWSCTLMOUHPFMJ-UHFFFAOYSA-N 435.481 0.514 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 780971911 USSWJRQOUCNQMA-UHFFFAOYSA-N 425.467 0.414 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 782765743 DXVLCCFNYHUSNA-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 784002893 WOZDGSJWXGZJEV-SSEXGKCCSA-N 446.363 0.423 50 20 ICGD Cn1cc(C[C@@H](O)C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cn1 786707109 YIFYESSNGXQXFW-OAHLLOKOSA-N 449.514 0.647 50 20 ICGD COCCOC1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 796197526 RMIZFIXRYNKYOR-JMLCCBQJSA-N 436.461 0.739 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 799629072 PTOPAWRSGKIDHJ-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2c1=O 814731818 KPGKSGHITLWYEY-IYBDPMFKSA-N 437.456 0.519 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OCC(F)(F)F 815691615 VXVCYFIWMQXCQE-SNVBAGLBSA-N 426.355 0.568 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 913415631 AALUNPNADPYVFX-GFCCVEGCSA-N 437.474 0.840 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 915269496 LNNWLXGMYKPCFV-UHFFFAOYSA-N 447.542 0.747 50 20 ICGD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1254281234 TWQBQUSHTSOOCR-KWQFWETISA-N 425.433 0.683 50 20 ICGD Cc1c(C#N)cccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1321237121 IWLHLFQOXNMJKI-UHFFFAOYSA-N 428.470 0.962 50 20 ICGD Cn1c(CC(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)nc2ccccc21 1322594563 ABQPUZNGPMEBSX-UHFFFAOYSA-N 433.476 0.618 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778712809 AWDJGNDQYSXTNG-XOBRGWDASA-N 435.864 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1779029285 QLNFUDVBOOFRFM-HXUWFJFHSA-N 446.414 0.116 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 1779371283 ZMGIUSOHWQCOPW-XMSQKQJNSA-N 438.488 0.521 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780145697 SITUNNCYEVKEDE-DYESRHJHSA-N 441.492 0.158 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1780939673 HXWFTNZZOIRJQA-QGZVFWFLSA-N 447.344 0.525 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781227682 PBFVJCZREIZSJH-DLBZAZTESA-N 443.291 0.097 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1783856866 DOGNANFADBNPJF-DICRZQGBSA-N 428.913 0.826 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c12 1783936104 DCLSOJVYGMWTOQ-JOCHJYFZSA-N 442.520 0.688 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1784067956 GUURWCXJICNYTK-JIBIRCIDSA-N 439.875 0.875 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787476152 FIUUHUYIWRUQIK-VFTHGPRRSA-N 439.354 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C[C@@H]21 1788610585 IBAXHADQQFVRDA-FLMXVTCASA-N 449.511 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21 1791288532 ASKWARGGFDKGFK-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD COc1cc(F)ccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792302911 JBBXAUNBLWTRHW-MBGYTDRXSA-N 428.888 0.956 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868712 MOPYKBULXNMYIN-MHEUCROKSA-N 432.359 0.769 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793617306 QZWAGXKTKIQANW-LKQDWFRTSA-N 442.310 0.065 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccsc1 1794173709 GHYOKZYVHBXUSR-SGLKITHBSA-N 441.513 0.663 50 20 ICGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1795240773 IGJJLVUCKPQTME-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD COc1cc(OC)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796191602 CTHKOPFFEYDESC-REPLKXPHSA-N 438.289 0.949 50 20 ICGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)no1 1796441669 ODVYETQPNKUYHM-GBQKICQVSA-N 442.476 0.574 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)N1 1796811033 GRLREISKGUHMPR-WCSPYGGUSA-N 446.932 0.339 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797825744 BADKWVBOTBJJTR-UMPJEAMMSA-N 426.901 0.710 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1C 1798439493 CWGXZIPDHDVAPA-RBVVOMGSSA-N 425.493 0.222 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccn1 1801468680 PJDUYPLWRVHFIU-ZTENYAIWSA-N 438.488 0.087 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1803510302 WSHWRNSPMSARTP-BEAPCOKYSA-N 434.921 0.950 50 20 ICGD CNc1nsnc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1804845893 NHWGLUPEZCCCAU-UHFFFAOYSA-N 443.338 0.418 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363974 GQHPTPKJIRHSEE-RXVVDRJESA-N 448.263 0.929 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1 1807368364 SARONYYPRBDFJZ-ICSRJNTNSA-N 432.289 0.775 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376314 VFIOAPMJNNMSPG-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809715161 KPJZSTQIIBMNBZ-QAPCUYQASA-N 430.553 0.903 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)c1ccco1 1814457865 FNIPNUSLJGQHDX-LPHOPBHVSA-N 438.249 0.722 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810236 MKXUATAFNBHAJK-UTLUCORTSA-N 446.371 0.821 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccnc2)n[nH]1 1816546523 RJEGFEYTCZMFEU-MRXNPFEDSA-N 437.464 0.611 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1821529941 WZOXKZVBTDWRLF-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1ccnn1 1822416879 RXCDKUBUXOITBK-UKRRQHHQSA-N 431.501 0.628 50 20 ICGD Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)c(=O)nc1O 1823365098 KYLRFTQSFJNMOG-QWHCGFSZSA-N 438.872 0.272 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(CO)on1)CC2 1826088170 BJZQMWWMWCYVOV-SNVBAGLBSA-N 436.494 0.222 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830543344 QHTAUUCPTUIQCC-KSSFIOAISA-N 442.310 0.421 50 20 ICGD Cc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724646 AHHPZIBRCYCTOI-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831609310 NLPPRAZHGGLKKC-IGCXYCKISA-N 434.331 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831830313 OWTHXDBRDCFRRT-RBUKOAKNSA-N 436.745 0.854 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1832406066 KMJGSERMOKSZHK-PXNSSMCTSA-N 431.961 0.163 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833240473 WWKHPFJPCPMZBG-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834825271 WGSJIPKEVPIIAC-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835055184 XFXHZKMWKFFTNM-VQIMIIECSA-N 431.316 0.939 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850839 DXHGCXZDWSYWDD-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)NCc1ccco1 1837637316 HUWBILPRHATHDO-HYIIBOEBSA-N 443.859 0.443 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1ccccc1=O 1837691058 GVBOBPLGEOEWAU-UGSOOPFHSA-N 432.304 0.669 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839150282 HTXJHELRWZAKQD-ROUUACIJSA-N 431.320 0.712 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839153843 TUDVWFPYYCGNMH-IAGOWNOFSA-N 433.292 0.076 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200223 HMZLURNVPUIJLL-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840031050 DXSZYBBPTCIGGB-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381490 MCMZHYVJUMWEPC-ABAIWWIYSA-N 448.343 0.137 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840857568 FQYAYTWIEIIWGN-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841210903 XBZSVJNZPISYJC-AWEZNQCLSA-N 431.298 0.097 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@@H]2COc3ccccc3O2)C1 1841548345 UYMBHOMBWRJWBE-GOSISDBHSA-N 436.273 0.414 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1841925346 MYTDCSURRGTHSS-OLZOCXBDSA-N 428.917 0.458 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)N(C)C(=O)OC(C)(C)C 1843012019 VUMIYBGXSWJLDG-OAHLLOKOSA-N 445.325 0.439 50 20 ICGD O=C(c1csc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014229 MHQDBQJBBFQGSO-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)SCC(=O)N3)C1 1843320311 UQFSYRQYULXGEQ-UHFFFAOYSA-N 445.545 0.921 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)CCBr)C3)CC1 1843837530 PURPTGLREPNMCI-UHFFFAOYSA-N 436.372 0.646 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1=O 46772707 ZJECNCANNNGOLA-UHFFFAOYSA-N 445.439 0.256 50 20 ICGD CC[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1OCC(=O)NC 725870914 DAYMUSDKQLMRMD-AWEZNQCLSA-N 431.449 0.616 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2cccc(C(N)=O)c2)cc1 726719044 QGHPVBKUMOLEOM-UHFFFAOYSA-N 447.517 0.288 50 20 ICGD Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCOCC1 728175679 ABRKTJCFGPEOEQ-MRXNPFEDSA-N 445.563 0.122 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728889915 SVLPOSRLFOVSEF-UHFFFAOYSA-N 432.506 0.371 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1)C1CCN(c2ncccn2)CC1 732824195 IBVBDJNDUWCZCE-QGZVFWFLSA-N 429.525 0.911 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)[C@H]3Cc4ccccc4O3)C2=O)cc1 733776940 WJLMOKQGSCUWSR-FUHWJXTLSA-N 433.424 0.914 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)NC3CC3)cc(-c3ccc4c(c3)OCO4)nc21 733951523 IJSRBLWUQSJZOK-UHFFFAOYSA-N 438.400 0.536 50 20 ICGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 734219596 VVJFDFOOPYAXIX-INIZCTEOSA-N 437.522 0.424 50 20 ICGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 736833663 KZUJGAKBAKEQRI-SJCJKPOMSA-N 439.538 0.905 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COCc2ccccc2)C1=O 737636678 VQVQVCBZCIOTBJ-NRFANRHFSA-N 428.420 0.957 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 738329131 LOEJXTNMWXVYCQ-UHFFFAOYSA-N 441.507 0.943 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)nc2)CC1 741424841 GZRFWNMESZJVJY-OIISXLGYSA-N 438.554 0.457 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 744565439 JFMJDKJLAPZTGL-APHBMKBZSA-N 426.429 0.426 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)NC2(CCCC2)C1=O 744920669 LXUYXKNVZSMRDG-GFCCVEGCSA-N 427.417 0.116 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H](C)CN1CCN(C)CC1 745861393 CHKOTBVLUBSBTB-CQSZACIVSA-N 439.586 0.116 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNc1nc2ccccc2c(=O)n1C 750315071 VNDLTJDIAQBCOY-UHFFFAOYSA-N 445.447 0.255 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@@H]1CC(=O)N(C2CC2)C1 750655674 PJTBZDRMJULTTA-OAHLLOKOSA-N 449.533 0.569 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1=O 753020175 OGNYEXVQUXOIST-FKIZINRSSA-N 427.465 0.167 50 20 ICGD C#CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 753379620 SFAJOAKDTGTQJN-UHFFFAOYSA-N 430.486 0.759 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 754414909 CGSXQLFYAUOMIK-UHFFFAOYSA-N 427.442 0.411 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 754674783 IANVGPHCRKSTHZ-KBAYOESNSA-N 436.534 0.904 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 755705905 DJFXXGDMHNNWKG-MRVPVSSYSA-N 425.389 0.069 50 20 ICGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758840104 TVWZFPBDCMPUOL-HNNXBMFYSA-N 429.502 0.648 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cnco1)N(S(C)(=O)=O)CC2 760123131 KBPORIZUCYTXMO-CYBMUJFWSA-N 438.462 0.402 50 20 ICGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCOCC1 762368269 YDWAESVMCBSHQS-AWEZNQCLSA-N 426.543 0.459 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 763550691 PXZWHCUXRVRWTF-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570001 CYTNYJHDBGXECK-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763804932 XVHYMEKNQXTZPP-UHFFFAOYSA-N 448.388 0.786 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1-n1cnnn1 763996405 YQMHNQJLLDMOBA-UHFFFAOYSA-N 433.226 0.461 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc(S(C)(=O)=O)c1 764187863 KDBXBABIETXZKC-UHFFFAOYSA-N 425.463 0.543 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1COc1ccccc1 764228574 YIMUPJKIOGAURE-CYBMUJFWSA-N 434.474 0.289 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(C#N)c1)CC2 764236437 YOHUAANVGMFPNN-UHFFFAOYSA-N 441.469 0.207 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(I)cc1Cl 764286561 XPTQTTDYHPWTIQ-UHFFFAOYSA-N 447.620 0.996 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c1 764297549 BDJHOPAPMZYMLY-UHFFFAOYSA-N 425.405 0.399 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 764401656 PREBQZGLWDGODG-UHFFFAOYSA-N 429.458 0.800 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1NC(=O)OC(C)(C)C 764431652 DXLLVVWALKYGNK-AWEZNQCLSA-N 438.437 0.544 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 764433396 MZMXTTXHYXFSJN-KRWDZBQOSA-N 444.419 0.257 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 765747841 IKWROHFFKANSET-UHFFFAOYSA-N 448.527 0.670 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765755094 DMOCPEXENHZFMG-CQSZACIVSA-N 430.958 0.286 50 20 ICGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766663151 JKBBYFMEYAAPOS-SFHVURJKSA-N 435.956 0.864 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(Cl)cc1O 767891375 PDDNYYNBYBWCBI-UHFFFAOYSA-N 432.868 0.726 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)n(-c2ncccn2)n1 768240621 ZGMAWNVZQBKSFG-INIZCTEOSA-N 435.444 0.875 50 20 ICGD COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 771447229 NNBGPWSFLXHJCP-UHFFFAOYSA-N 434.312 0.251 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 773493476 BOVXEMAUUDANGV-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@H]2COCCN2CC(F)(F)F)c2ccccc2c1=O 773712339 LFAKBVSRBICVKJ-AWEZNQCLSA-N 441.410 0.831 50 20 ICGD O=C(NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 776752649 IUXOSNVQUVVYEX-RDTXWAMCSA-N 427.454 0.319 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)nc1C 778429781 NMDARMZOCRZGEX-HXUWFJFHSA-N 426.433 0.872 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 782123092 BFLLPJAXERLKCO-ZDUSSCGKSA-N 444.366 0.029 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1cc(C)ncn1 783944507 ARPGNLVMSXCACJ-UHFFFAOYSA-N 432.506 0.848 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785066516 CUUXNENFQSBIOH-UHFFFAOYSA-N 447.448 0.596 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 786674524 VNNLTYJUDDNOHW-PTNGSMBKSA-N 448.457 0.831 50 20 ICGD CS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1Cl 788332872 HIDZPZPQGRXVJM-CQSZACIVSA-N 437.861 0.833 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)ccc1C(N)=O 789741625 XTORARMMNQXWDY-UHFFFAOYSA-N 432.408 0.877 50 20 ICGD COc1cccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 790166482 HZUCQIIXUQNFGS-UHFFFAOYSA-N 431.518 0.855 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3nc4ccccn4n3)n[nH]c2n1 791242505 GXLGWWICRXKCHT-UHFFFAOYSA-N 428.486 0.083 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccn3n2)cc1OCC 791253839 VNUGJQRYWDBULD-UHFFFAOYSA-N 434.478 0.948 50 20 ICGD Cc1cccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 792237382 CJBRAIQMPPYVBL-UHFFFAOYSA-N 447.517 0.598 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CC1 794783048 BVBMKBUSVONWHG-UHFFFAOYSA-N 428.511 0.420 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 795081551 UDLFUAXRMHODDK-SNVBAGLBSA-N 425.413 0.895 50 20 ICGD COCn1nccc1S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 795180867 FSMZCONRBKURQC-UHFFFAOYSA-N 432.503 0.285 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 795393212 MKXJJMXKKHEOQO-VIFPVBQESA-N 436.284 0.217 50 20 ICGD O=C(NCCOc1ccc(I)cc1)NNC(=O)C(=O)N1CCCC1 802325934 OZTHMCJSULIUBQ-UHFFFAOYSA-N 446.245 0.623 50 20 ICGD CN(CCCC(=O)NNc1ccc(-n2ccnc2)nn1)C1=NS(=O)(=O)c2ccccc21 804953026 XZKHXUKYEMOLPN-UHFFFAOYSA-N 440.489 0.967 50 20 ICGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 806293836 CSNDVZCIHIUYAU-SWLSCSKDSA-N 437.449 0.820 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2cc(OC)ccc2Br)nn1 807250434 CRNCPOKTLRPFRB-UHFFFAOYSA-N 441.242 0.480 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 814669835 WBUOIZCZJZFZCC-CHWSQXEVSA-N 435.510 0.770 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1N1CCCCC1 815691324 MIJNMQUXCWQEIL-ZDUSSCGKSA-N 429.456 0.756 50 20 ICGD Nc1c(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cnn1-c1ccccn1 815734769 YTEDQCPHFKYEIQ-UHFFFAOYSA-N 443.489 0.627 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815750576 DZVFBJHDJIIKIM-UHFFFAOYSA-N 449.489 0.986 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@H]3CCCS(=O)(=O)C3)cc2)CC1 815854840 SUZQJEFTACTQQG-OAHLLOKOSA-N 444.579 0.281 50 20 ICGD COc1ccc(-n2cnnc2SCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 818922759 RCWGGORWSYBKFP-CQSZACIVSA-N 425.536 0.860 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(NC(=O)NC2CC2)cc1 915049410 RNKWWWRVCYMCTP-UHFFFAOYSA-N 445.505 0.395 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 916103110 DXVUVNOXPVGFLP-UHFFFAOYSA-N 437.430 0.142 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CS(=O)(=O)C2CCCC2)cc1 916112336 WGSDCTPUTNILSD-UHFFFAOYSA-N 431.536 0.120 50 20 ICGD NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 916626455 ZJFLHZVYNPSJMS-UHFFFAOYSA-N 430.446 0.370 50 20 ICGD O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)NNC(=O)[C@H]1COc2ccccc2O1 918023380 OSIYRXPBNMJWHG-MRXNPFEDSA-N 445.340 0.468 50 20 ICGD O=C(Cn1ncn2nccc2c1=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 1318530314 WYYLKEXQKQQIRP-UHFFFAOYSA-N 431.338 0.905 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1341794721 MSDRTDYNWMAIDD-DNVCBOLYSA-N 433.490 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1778769674 NQZQEXWGRBEVKS-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1779028232 HUIFSMSJIULYSR-NRFANRHFSA-N 427.461 0.354 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1780098013 XWPHVRVCFGPUPT-LJQANCHMSA-N 445.388 0.660 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)CCBr)CCO4)C3)(C1)C2 1783443620 FCTVTAPAKLNPIK-DAWZGUTISA-N 429.311 0.945 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744273 BSLRXPNREGHUSK-WFASDCNBSA-N 425.345 0.425 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc2c(n1)OCCO2 1787380822 RHFFCRYIMZZUQN-DUPGQFARSA-N 425.869 0.046 50 20 ICGD C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1)C(=O)O 1787508283 UUQQBXKSCDJXNR-PXJJSWNVSA-N 445.476 0.131 50 20 ICGD COCc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1789213638 YBBLMOJWGCLQQZ-BQFCYCMXSA-N 435.525 0.127 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1789863345 NTZMSORCJLTLFV-QUSNUVHPSA-N 432.901 0.478 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1cnnn1 1791917153 QJUBDZXULWWFHK-AWEZNQCLSA-N 434.265 0.362 50 20 ICGD CCSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792399788 UVSFPCYCDHZPMY-CCWDJLKJSA-N 449.577 0.770 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1792870310 BUKMLJSOSYXNPW-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccoc2C1 1793122776 QBKWSVYOCXCDQM-PZTGFMGMSA-N 432.521 0.347 50 20 ICGD CC(C)Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n(C)n1 1796189336 ZWJMGPAPAAXEQT-FNLKRUPLSA-N 438.337 0.864 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCSC1)C2 1796444312 KDMLNFHDDDBXPZ-YGADERNFSA-N 447.561 0.853 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798344418 IHDNGCTYZVBYHE-UDZIGDOBSA-N 445.284 0.654 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(C)(C)O)C2 1798522075 AOMRVBNDWFSKNA-HBCWATKFSA-N 449.460 0.884 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1799264896 SCOJIINQNXZZMD-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1799273556 AMIHENHCWJDFCI-GWLLULGVSA-N 432.304 0.127 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)CCOC1 1799332702 AYOHYQDROMERLX-UUUMGPIQSA-N 449.907 0.794 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354506 SLMYWOQZZHOCGF-DGADGQDISA-N 447.960 0.869 50 20 ICGD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801716099 NSJISXITVPOBAA-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1802896617 DHMNHWOKJLGVBY-LZWOXQAQSA-N 435.912 0.951 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1807697055 YRHXSOCYYJZIRX-ATZDWAIDSA-N 438.488 0.579 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3nc4ccccn4n3)C2)CC1 1810477201 FQDOGDCQDXXOON-UHFFFAOYSA-N 441.536 0.947 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814848128 OPOUPBNXCDMNIY-YLVFBTJISA-N 430.339 0.422 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cnccn2)n[nH]1 1814996437 ZQGAGIDBGKTLMJ-QGZVFWFLSA-N 449.475 0.747 50 20 ICGD C[C@@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662696 VBYQTVLNBUYROT-YUMQZZPRSA-N 428.312 0.962 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1cncc(O)c1 1825719830 LRTVYYRFRCZGSO-CQSZACIVSA-N 438.274 0.463 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1830334522 GEYXCTOLBLFPBS-DXCKQFNASA-N 434.331 0.141 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)no1 1830536051 XAQLTTSRPHLMAP-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731048 HGNBWRKWPIUYOI-DYVFJYSZSA-N 428.898 0.294 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831092639 ABKGOWCGDGLNDB-RZQQEMMASA-N 447.960 0.247 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831651837 SXSDETOFKAOIQJ-MLGOLLRUSA-N 444.834 0.956 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831812298 YCCXATPPQJXCAH-HXUWFJFHSA-N 438.601 0.958 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831994660 LEZVLXSDGXQHNA-QGZVFWFLSA-N 425.309 0.978 50 20 ICGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1ccco1 1832663547 CJVVWGKWUXRICW-XJKSGUPXSA-N 433.230 0.609 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833008070 QIQQZNUBPODSDO-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833963359 CHXISQWOCYIDRF-MRXNPFEDSA-N 440.928 0.525 50 20 ICGD O=C(Cc1ccccc1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834485151 QUWMPHDOQVVLMO-UHFFFAOYSA-N 449.360 0.794 50 20 ICGD Cc1noc(N)c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834703070 WKYXODIEXKRMAX-UHFFFAOYSA-N 449.556 0.123 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836189446 UWJQFRUSAOBIFD-INIZCTEOSA-N 428.917 0.606 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836398855 YWRXSZDSBMOCIF-KRWDZBQOSA-N 432.356 0.481 50 20 ICGD CC[C@H](C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837455671 CXJWHJUDVNHINT-BTYIYWSLSA-N 433.509 0.191 50 20 ICGD Cc1nccc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1838157177 MHUAVVMJZOFPEV-UHFFFAOYSA-N 446.552 0.770 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1838279612 JJSBKBNXSRLRHI-ACJLOTCBSA-N 443.342 0.836 50 20 ICGD C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1838528370 TXQSKESIPRXXCV-FQEVSTJZSA-N 431.401 0.223 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839155449 UJKKUPFKYXEFMM-HZPDHXFCSA-N 443.349 0.497 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033860 SPOYIGRTBKLOEA-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1840153226 HYNNADJJSFTPHJ-MGPUTAFESA-N 436.896 0.887 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840437536 RGFWATVINSASNK-SFHVURJKSA-N 433.336 0.840 50 20 ICGD O=C(CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)Nc1ccccc1 1847539528 UTZBTRCJABPPEY-SFTDATJTSA-N 449.316 0.991 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=S)NCCc1cccs1 11509768 PIUPJAYTZDABSP-UHFFFAOYSA-N 433.471 0.990 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 16128629 FMJMMRWKWIVIJR-UHFFFAOYSA-N 434.499 0.966 50 20 ICGD COCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)ccc1=O 24312745 CBDJFNDZFRXJER-NSHDSACASA-N 439.266 0.881 50 20 ICGD CN1CCN(CCCNC(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](c2ccccc2)C1 725871551 NDDGPAKDZQJOBI-SFHVURJKSA-N 442.520 0.719 50 20 ICGD CCN1CCN(CC(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C(=O)C1=O 728216962 LFDQXSHNTWCLRW-UHFFFAOYSA-N 445.501 0.621 50 20 ICGD C[C@@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NC(=O)C1CCCC1 728344119 TUGMNEWZCJNFNG-SUMWQHHRSA-N 433.461 0.602 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O 728385999 QRDNBIPSGXSWEE-MNOVXSKESA-N 429.882 0.284 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1 728729683 TVTLUNVGZWNQPY-INIZCTEOSA-N 444.513 0.918 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728852449 AUYHTMYZEHSWCM-UHFFFAOYSA-N 427.486 0.744 50 20 ICGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 728930227 LQEDHNSGXXDWSQ-UHFFFAOYSA-N 439.944 0.596 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731544585 ZVFKSUSHNRIACM-SNVBAGLBSA-N 446.420 0.465 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1)S(C)(=O)=O 732256651 KCPGUKYBQILEMH-QGZVFWFLSA-N 434.474 0.753 50 20 ICGD CC[C@@H](C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1 732474637 RSWVVAYTYHECJO-DLBZAZTESA-N 426.539 0.999 50 20 ICGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732751495 PYTRZVLCGUXKHZ-LSDHHAIUSA-N 427.548 0.049 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240108 JLUQZGQSWYJRJZ-SNVBAGLBSA-N 435.528 0.270 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1C 734684900 BAQJBWBUIKDXTL-RTBURBONSA-N 433.553 0.808 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1Br 740812350 FBVJDOZFDKHDFG-UHFFFAOYSA-N 436.284 0.762 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 741092950 LBOGTAWDYVSFED-ZIAGYGMSSA-N 446.551 0.237 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)o1 742247310 XODNAJKDSMFFEM-RFOKVQRGSA-N 432.477 0.433 50 20 ICGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 744828266 WXFIAOCFLHSSGJ-UHFFFAOYSA-N 436.490 0.291 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 748790889 PCQRBXHCEFVWOY-UHFFFAOYSA-N 438.447 0.142 50 20 ICGD CC(C)CN1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 757289212 JXKNTEXXCJOZOT-OAHLLOKOSA-N 425.555 0.859 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)cc1Br 758030712 SUZVORNRFMDFIW-LURJTMIESA-N 443.117 0.910 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 761628549 XQPUNLYBKIVFKC-OSLDLMBLSA-N 433.486 0.487 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1 762854521 BYXDNEZGUBQAJC-QGZVFWFLSA-N 439.476 0.954 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC 763551622 ZBMNJENAGIJYSR-UHFFFAOYSA-N 429.368 0.218 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763573073 XBBZQEPAFPHIMH-SFHVURJKSA-N 438.440 0.813 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 763695628 RIKGAECZIOAHCB-UHFFFAOYSA-N 434.474 0.842 50 20 ICGD CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763791483 TZPUIDMXISFEOO-UHFFFAOYSA-N 427.392 0.871 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 764001659 BSBSEOVEEYHWKL-LBPRGKRZSA-N 442.925 0.851 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(OCC(F)(F)F)c1 764286493 VWGAPMMZFPMVPN-UHFFFAOYSA-N 443.338 0.466 50 20 ICGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652808 PICVOWRBJVIWNB-LJQANCHMSA-N 443.548 0.629 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n(-c2ncccn2)n1 768233205 LFGFCWNCURRUBT-UHFFFAOYSA-N 448.443 0.822 50 20 ICGD Cn1cnc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 768991446 LIEAPJTYPATKOV-UHFFFAOYSA-N 432.444 0.718 50 20 ICGD CC(C)c1[nH]nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 771646922 BNTOZSHLRPHQNL-UHFFFAOYSA-N 443.464 0.660 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 771942935 YPLCHOMRLPZREI-TZMCWYRMSA-N 427.479 0.247 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 776885458 JMKVDXSLONKDJT-UHFFFAOYSA-N 442.538 0.855 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1C 782895843 ADDGQTJTCBIAIQ-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD Cn1cc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nn1 783300002 PWNSOOFYQCCLBA-UHFFFAOYSA-N 435.491 0.822 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)C[C@@H](C)O1 783425909 KFISMATXDGNMPQ-QEEYODRMSA-N 438.550 0.432 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1)O[C@H](C)C2 784004813 VQGGDHYEXFJWCI-LLVKDONJSA-N 446.485 0.986 50 20 ICGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 786414794 QWIDJGTXPCDVPU-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD COc1cccc(C(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1O 792633510 YAVDRZAPFGWYGQ-KRWDZBQOSA-N 429.351 0.794 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)cc1Br)N[C@@H]1CCS(=O)(=O)C1 799122863 ZCWAMINPHXWDAH-MRVPVSSYSA-N 446.732 0.782 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)c1 800318017 VLLLVLUZUBFQKM-AWEZNQCLSA-N 427.527 0.561 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 801798417 VEEKYNHUILDEPN-KBXCAEBGSA-N 448.501 0.914 50 20 ICGD COc1ccc(Sc2nsc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1 809923936 XIIMUQVGEGLAKR-QMMMGPOBSA-N 446.536 0.788 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729303 MUVAPAARHUEYAE-NSHDSACASA-N 432.549 0.809 50 20 ICGD CN(C)C(=O)CN1C(=O)C(=NNC(=O)Cc2cc[nH]n2)c2cc(Br)ccc21 814956758 CPJMCJJYTNBQLZ-UHFFFAOYSA-N 433.266 0.670 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 817054523 MTBXXXSLUCEHOZ-LJQANCHMSA-N 431.474 0.748 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1nnc(O)c2ccccc12 818837836 FBLHDGMGNVIZFP-LBPRGKRZSA-N 427.508 0.157 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cccc(CN2C(=O)CNC2=O)c1 822745689 BKIALMQXKGZFBX-UHFFFAOYSA-N 444.473 0.106 50 20 ICGD Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)C(=O)NC2CC2)ccc1F 895014066 YKQNGDTZUBUBIY-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914821550 GDRWCLIBJQEGAN-KDOFPFPSSA-N 439.424 0.570 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1ccccc1 919184840 XDRZEKLTQYTKPE-AEFFLSMTSA-N 443.431 0.334 50 20 ICGD O=C(NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)N[C@@H]1CCS(=O)(=O)C1 919883199 BEEZELLRSMUJIB-CYBMUJFWSA-N 442.453 0.618 50 20 ICGD CN(C)C(=O)c1cccc(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1252256478 NODZCFJIENUEHZ-UHFFFAOYSA-N 446.533 0.868 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830790 JEUQJLPTMMJJOT-SJORKVTESA-N 427.292 0.804 50 20 ICGD Cc1nscc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029547 YYTAGCAQJKJVJV-LJQANCHMSA-N 430.490 0.207 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCC(F)(F)F)CCO2)C1 1779031705 WQYYEZSIHWZGLP-KRWDZBQOSA-N 429.399 0.471 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1C 1780430941 TVOLONXXFYSUOD-SJCJKPOMSA-N 429.315 0.903 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783534508 KPQPSPJREKJWRW-IDYSPNNHSA-N 447.355 0.402 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1783880525 CSGFXOWYFQBWAP-DJJJIMSYSA-N 427.885 0.796 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934484 HCIHARGXSDBMMO-VGOFRKELSA-N 431.537 0.690 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980809 GVQZNDUITNGIHF-KBPBESRZSA-N 434.242 0.731 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21)[C@@H](O)CCl 1784089826 JXQRSSSTTQVCEY-DKIMLUQUSA-N 433.896 0.460 50 20 ICGD O=C(CN1CCOC1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1786247446 VHPVOMFAAURFFS-UHFFFAOYSA-N 437.261 0.566 50 20 ICGD C[C@@H]1CCc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]43)n[nH]c21 1787952404 BRBLZHAVKQLFPD-OHFALNGGSA-N 446.552 0.426 50 20 ICGD O=C(O)CSCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143792 UMVKQVAXELJXAK-UHFFFAOYSA-N 442.302 0.932 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788565789 QSOWNNPWWWVMBS-DGTMBMJNSA-N 433.347 0.457 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1791255041 AYUXBCRUQSSXNN-YXWQFLTLSA-N 440.928 0.772 50 20 ICGD Cc1nccn1CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791571786 BMMNFIMIMQFYON-FHWLQOOXSA-N 448.568 0.324 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)ccc1F 1792699810 SMAIUAJGYYRHAY-HBCWATKFSA-N 446.671 0.676 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1792870349 DSZUQSHDMFBODQ-ADMHOZKXSA-N 428.371 0.947 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)ccc3c1OCO3)C2)[C@H](O)CCl 1792978525 YNOKBPAQQBLGTP-KVQFHVITSA-N 431.272 0.872 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1800977152 SLDNUKHNQYTTSQ-JYYAWHABSA-N 440.928 0.130 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2 1801011570 OBGBUEHYRFHKAB-YVWYUNDQSA-N 428.493 0.139 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 1801521932 NKPQOUCUNYWUSY-BUOXLWHKSA-N 426.322 0.540 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2csc(N)n2)[C@H]1c1cccnc1 1807241307 QWLKZEZWSRTLFU-RDTXWAMCSA-N 445.549 0.813 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnc1 1807360164 ORFXRAWESNMRHQ-PBEJRMEISA-N 447.304 0.539 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543372 ATCSLPKKWJLEKD-UHFFFAOYSA-N 439.277 0.331 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1820169256 SHWAZXPVWYDGGT-CYBMUJFWSA-N 444.630 0.193 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822871483 PMHYOGGZIQYSQE-CSHXORCISA-N 446.276 0.899 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827706074 DUHUBPVIKDRDDO-SFHVURJKSA-N 437.585 0.751 50 20 ICGD Cn1c(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc2ccccc21 1830429144 WFPSMHQQPKQPHH-SIKLNZKXSA-N 449.935 0.777 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831478468 VVTHVNHNPCETBO-QZTJIDSGSA-N 438.352 0.594 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831643342 AXJWUONWVSPTOU-LIRRHRJNSA-N 428.917 0.906 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1831653768 DFGBONUJEJOKTG-YJYMSZOUSA-N 439.900 0.053 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnc1C 1833301384 VHQWPDLAFFTMCM-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cn1 1833893857 OQEPPFSNTZJLIO-FXAWDEMLSA-N 425.913 0.968 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c[nH]1 1834798618 RFQCLYPKJRHTCE-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821665 STDTZRUQPWECHS-DYVFJYSZSA-N 434.331 0.095 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834955886 QLJCVKUZBALOPI-YLJYHZDGSA-N 426.897 0.776 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835084171 OTZGUMLFTQXGHT-HNNXBMFYSA-N 427.864 0.894 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835976135 JJCJYHIQSHXBFD-WMLDXEAASA-N 435.308 0.247 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)c1c[nH]c(=O)cn1 1836139389 OYUHTFMGSFWCIW-UHFFFAOYSA-N 440.342 0.740 50 20 ICGD O=C(c1cccc2nscc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839574838 GPVTXECIJHKERM-APWZRJJASA-N 439.921 0.966 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839963142 BEYRDJJBAIHFMX-KDOFPFPSSA-N 443.294 0.883 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187655 PDYMQTPNRLRIOX-GOSISDBHSA-N 446.287 0.727 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014736 WGWBFDXSEOJUMR-UHFFFAOYSA-N 439.233 0.419 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847653656 WKFAZAAODKMGEA-XQTSXYSPSA-N 425.206 0.396 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2c(C)nc(SC)[nH]c2=O)c2ccccc2c1=O 14346472 SUZLGNUABMLLDO-UHFFFAOYSA-N 442.501 0.924 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 725870906 CYAQTYHFXCEPGW-UHFFFAOYSA-N 447.423 0.113 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 727350528 PMRGHGUYGCNBAN-UHFFFAOYSA-N 438.473 0.745 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)Cc3ccccc3)cc2)CC1 728213737 IDNGKFBWTDAPKR-UHFFFAOYSA-N 445.545 0.425 50 20 ICGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 728502702 AOTYHUIIHODGIA-UHFFFAOYSA-N 436.284 0.460 50 20 ICGD O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728854559 XYOQVNNPGVYICM-UHFFFAOYSA-N 433.490 0.720 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 729275544 PLADAJQDFSFWBV-ZBFHGGJFSA-N 446.529 0.777 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729284323 SKAYLAFXJHGGON-UHFFFAOYSA-N 442.453 0.430 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(C)(=O)=O)c1 732302639 LSCRVDHCVNKUNZ-UHFFFAOYSA-N 427.504 0.772 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 741753920 VNFPAENKHGKUTL-FQEVSTJZSA-N 438.484 0.882 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 743291703 SDWFRQBTNNGETE-HOTGVXAUSA-N 438.550 0.795 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744353462 UYJUIRPLGVWZMC-PWTXATHPSA-N 445.472 0.551 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 745107064 HGFWHFCNVHQVCE-KRWDZBQOSA-N 434.408 0.381 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 746195634 FLPWPKQBJYSWTQ-KRWDZBQOSA-N 448.453 0.375 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N1C(=O)c2ccccc2C1=O 746223933 KHCUGRRJLQSHIS-GOSISDBHSA-N 447.451 0.719 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2ncc(I)n2c1 749316886 GBLVFARLFQIRHJ-SECBINFHSA-N 448.242 0.135 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CCCCS1(=O)=O 753270550 HXWFFVXZWXORAX-SFHVURJKSA-N 437.566 0.496 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2=O 756862428 CJLIJLRMBDSJEC-ICAYICBHSA-N 440.460 0.843 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 757722251 WLGOQTILMHFATO-UHFFFAOYSA-N 447.521 0.762 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)n(C)c1=O 757892982 VZWMPNFZQIFOSX-UHFFFAOYSA-N 436.432 0.282 50 20 ICGD CCc1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1c(Cl)cccc1Cl 758043029 DCMLREXCPWOCMX-MRVPVSSYSA-N 449.320 0.835 50 20 ICGD CC1(Cn2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)nn2)COC1 758814443 KECWYUNSQMBDCZ-UHFFFAOYSA-N 448.505 0.174 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCCc1ccccc1 763037937 FVMPXIIKKUBTCT-AWEZNQCLSA-N 432.502 0.623 50 20 ICGD CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 763599311 FQWXPQXVBKYRKF-UHFFFAOYSA-N 448.501 0.948 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1C 763665253 QFGHHJOUZCNIMC-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763976581 BEYQJPHMCNNDSV-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1SC(F)(F)F 764002911 WDGNWFQZZVLPMI-QMMMGPOBSA-N 425.410 0.819 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 764213023 SEPPBEZQGOMGIL-QGZVFWFLSA-N 427.509 0.286 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C(F)(F)F)c1 764229962 GOMKAEKIFQZMOC-MRVPVSSYSA-N 440.400 0.128 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764350087 WUAVKDZWHINLEP-UHFFFAOYSA-N 448.819 0.348 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1cc(I)ccc1Br 764428514 IVJJXUJBGSQXPR-UHFFFAOYSA-N 442.007 0.132 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 765728625 NHMQRCFHOYZIJU-UHFFFAOYSA-N 447.517 0.166 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)nc21 770985080 XSJHWSLJJHNCQI-GOSISDBHSA-N 428.384 0.118 50 20 ICGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 771384733 WTNUGRYOKOMHRO-KRWDZBQOSA-N 432.525 0.760 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890527 YQPWJZHSIQYZTF-UHFFFAOYSA-N 430.852 0.711 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H](CO)C[C@H](O)c1ccccc1 778651113 UFGQLWNVZMPFLG-MSOLQXFVSA-N 428.493 0.508 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 782402993 SWLMWCVLDXORCA-UHFFFAOYSA-N 443.341 0.692 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 782763644 VSNWKZSAQHCLSG-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783263848 LTCWOOVZLTZMMU-UHFFFAOYSA-N 441.491 0.698 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1OC 785876151 FFSORBFQYJSXHP-INIZCTEOSA-N 433.509 0.543 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797715382 HWVIUWAYBJWUBE-HXUWFJFHSA-N 428.470 0.774 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N=c1cc[nH]cc1 802028615 AHASUKGAAKFJSH-HNNXBMFYSA-N 430.490 0.954 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 803947733 NTNBVCMGAIRCFK-MRXNPFEDSA-N 446.460 0.888 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1ccco1 804027770 HEWUQTHPZMGCCW-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nc1Cl 807195465 DERWMVVOEQAUKU-UHFFFAOYSA-N 425.692 0.274 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)[C@H]1COc2ccccc2O1 807930016 PIMXTSZUWDOPSX-GOSISDBHSA-N 446.481 0.997 50 20 ICGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 809957593 PQCCQKRFMXYDMY-CQSZACIVSA-N 432.506 0.166 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812729284 IRDJHUDUEFGFTD-UHFFFAOYSA-N 426.520 0.667 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 914465260 MPYNXELDUSMBHB-UHFFFAOYSA-N 438.531 0.555 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1C 915906206 RNVOCFQHZQEOJS-UHFFFAOYSA-N 444.492 0.827 50 20 ICGD CCCOc1ccc(C(=O)NN/C=C2\C(=O)NC(=S)N(CCOC)C2=O)cc1OC 920979708 GSLJCCDVHBSFEY-ACCUITESSA-N 436.490 0.492 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)Cc2ccncc2)c1 1319327265 RJTHCJJSBFGELH-UHFFFAOYSA-N 427.280 0.756 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2n[nH]cc2I)c2ccccc2c1=O 1320309847 AOAGPYBYISAPRU-UHFFFAOYSA-N 438.185 0.336 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1779032345 NSAJQIWWWGNPLB-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@H]1C1CC1)C2 1779371163 KDYWXYUVJIKOSL-MOKWFATOSA-N 441.532 0.859 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780641837 FRFYTWSPXPRZHZ-BMQTXXJKSA-N 445.004 0.390 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1)C2 1782214072 LWEXMQQTQAJOAA-JXXFODFXSA-N 426.583 0.769 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 1783808657 JNNLGIWXTBAZOQ-IMWIBFENSA-N 449.511 0.932 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1783965793 RUDNHFDHFVMXPS-RHYQMDGZSA-N 444.286 0.942 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1783973082 RRMBFVISOQIHFF-QTVXIADOSA-N 430.343 0.618 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)n(C)n1 1785612210 MRYOOQZBSHNCND-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)cn1 1786243542 AQXLQWNYSLYUCM-UHXUPSOCSA-N 427.299 0.862 50 20 ICGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791180636 FCUCPLHVRPILGS-KKUMJFAQSA-N 430.343 0.764 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccn1 1791713178 DLHCTYXSYWKSGX-UCKNYWNBSA-N 437.305 0.158 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)n(C)n1 1792870172 JZYOWTKUSPWBGM-MCYUEQNJSA-N 429.315 0.663 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1792870231 ADKDHFNUDHMTNZ-ZQNQSHIBSA-N 428.331 0.535 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270898 XIQMGDAXRMPWSA-ZMJPVWNMSA-N 439.310 0.557 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(Cl)c(O)cc1O 1796189503 VPCLQYODXIGNHV-QDMKHBRRSA-N 444.680 0.997 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2 1797751549 FUPWWMFMQSGBOK-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[S@@](=O)c1ccccc1 1800209598 IJOXFENGGRAXLT-ALYRERSDSA-N 428.938 0.372 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1800644189 MOVWHVMVLCMIFQ-OPDFLTKYSA-N 425.345 0.184 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1800756111 GBUCOFXTDFSAIC-OQAPJDJNSA-N 425.327 0.845 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1805385327 WNZCBVTXRGSCAG-MAUKXSAKSA-N 446.386 0.899 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)nn1C 1805596973 NGZHCFWLYXTYPU-DYESRHJHSA-N 441.536 0.816 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cscn1 1805741477 GTDRMUUNWJPWBR-VQIMIIECSA-N 436.302 0.851 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980238 PNMTZZJURQNMNV-UHFFFAOYSA-N 437.305 0.433 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298259 HGROQCPDZLUTEB-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1CCCOC1 1814155997 XTDOCGDEQRUVFG-ZJOUEHCJSA-N 437.305 0.508 50 20 ICGD C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815211474 JZWRLEUMBKIQPT-KBXCAEBGSA-N 426.282 0.987 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CC2)c1ccc(B(O)O)cc1 1815335541 DRPCNLPCHIAPRL-HOCLYGCPSA-N 429.307 0.618 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470394 QJPYGNPROGJGFV-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CCn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470786 GWUPTXZSRHZGLB-SFHVURJKSA-N 436.281 0.926 50 20 ICGD CC(C)(C)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794897 GELFJKGUOVXMBC-NSHDSACASA-N 445.549 0.756 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820931997 BVEKTZHHNKBTJT-FWDPORAESA-N 433.282 0.685 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1822555910 ADDJYGVGRIHAFX-UONOGXRCSA-N 436.582 0.770 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824188150 ZXBWXHWTOSMXDU-BZSNNMDCSA-N 446.928 0.701 50 20 ICGD O=C(Cc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055862 HVPMSAPGTUTUBB-FQEVSTJZSA-N 436.321 0.632 50 20 ICGD Cc1cc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830738393 NYDRKGCPOLTEJV-VQIMIIECSA-N 432.851 0.943 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831112127 VNYQGJAJIZYTHE-HUUCEWRRSA-N 426.901 0.780 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831398824 ATJZOUJHLXGHTI-GOSISDBHSA-N 430.509 0.055 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3)CC2)CC1 1833101640 SRBLXCRBQNGDOU-UHFFFAOYSA-N 436.601 0.027 50 20 ICGD CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1833255773 BKLAMMCOYKPHJP-KWXFCVSUSA-N 446.552 0.463 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834873524 JBQYKAKSVQBTDB-CYBMUJFWSA-N 427.347 0.633 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837776 QTSXQINWOFGNJX-OAHLLOKOSA-N 426.634 0.934 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839155056 HICSPCGKRAGAMR-IRXDYDNUSA-N 434.324 0.361 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839198404 ZLGUKYRQYIIDGS-BBRMVZONSA-N 449.277 0.189 50 20 ICGD Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc2n1 1839503869 YKZCYYLIWWMSFV-PXNSSMCTSA-N 436.896 0.243 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839963452 KTSDGZWROKNVHQ-BZNIZROVSA-N 447.355 0.969 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839963499 MKMCOOJWJZUYJY-CXAGYDPISA-N 429.315 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840236824 WZBITFDSAALBIE-JXFKEZNVSA-N 448.944 0.820 50 20 ICGD COc1cc(N2CCC(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)CC2)ncn1 1841348546 VWWIDTPWTKVNIC-HNNXBMFYSA-N 437.928 0.505 50 20 ICGD CN(C)CCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842822651 CXTOLJZEMLNIPU-UHFFFAOYSA-N 430.553 0.488 50 20 ICGD O=C(CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)Nc1ccc(F)cc1 1844991269 VUJRBLCROBXUAI-UHFFFAOYSA-N 439.252 0.351 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847566058 GHDDUSCZXMEXHG-SOUVJXGZSA-N 425.825 0.935 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCNC1=N 1848099382 JRKADCBKBZMYLC-IHRRRGAJSA-N 442.948 0.160 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 725740608 HMJKPODLAVULEE-HIFRSBDPSA-N 434.449 0.139 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(CCOc2ccccc2)CC1 725873341 XLHUPVMGTBNNQI-UHFFFAOYSA-N 431.518 0.915 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 725878079 QJJNJWCXGLMXTD-UHFFFAOYSA-N 433.895 0.915 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@H]1Oc2ccccc2NC1=O 726088457 HBJQYURNXXQYTE-CQSZACIVSA-N 431.474 0.839 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc4ccccc4c3)cnc21 728504546 PVTVOAVDSLQNJZ-UHFFFAOYSA-N 425.426 0.811 50 20 ICGD O=C(Cc1cccnc1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728856186 IYJQYDYRBQGYJN-UHFFFAOYSA-N 438.531 0.808 50 20 ICGD CC(C)n1ncc2c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(-c3ccco3)nc21 729274941 HVNMOWSOKQKEND-NSHDSACASA-N 434.478 0.971 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(F)c(Cl)c1 731186884 XKZFFPGRABHISO-VIFPVBQESA-N 430.849 0.499 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2c[nH]nc2C)o1 732082978 SAKIQPJCWRQIKI-LBPRGKRZSA-N 439.450 0.102 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)=NN1c1ccc(F)cc1 733108146 HZUHLMICZZWPAQ-SFHVURJKSA-N 435.419 0.893 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 733351057 MILPDOGUSSSMFJ-UHFFFAOYSA-N 447.536 0.826 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 734239828 WYQHBKWPBOWJMU-UHFFFAOYSA-N 448.480 0.607 50 20 ICGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117704 GLQMRUVGYGWTTJ-ZDUSSCGKSA-N 426.543 0.012 50 20 ICGD CCCCOCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 735631045 WUXWPVYKLJFAGX-UHFFFAOYSA-N 427.523 0.604 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2ccc(Cl)nn2)c1 735688706 MNDIBWFKNLKVEQ-UHFFFAOYSA-N 440.913 0.974 50 20 ICGD CN(CC(=O)NCc1ccccc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 738476234 UPGXHGXCSQGVMF-UHFFFAOYSA-N 425.493 0.682 50 20 ICGD O=C(NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@H]1COc2ccccc2O1 743252283 UQCYBXHPCXJLHX-CYBMUJFWSA-N 425.806 0.924 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743300895 MWBHIJOIFXAMKU-SRABZTEZSA-N 432.502 0.955 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 746550732 SMSITLPLRZVBRJ-JOCHJYFZSA-N 432.440 0.418 50 20 ICGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 747072931 VDLSTGUOXLBBHD-AWEZNQCLSA-N 428.426 0.619 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCN2CCSCC2)cc1 756275459 XZIBFUDPVBCLBA-ZDUSSCGKSA-N 429.568 0.368 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 756815151 IUKMSTNCJRYCEU-AWEZNQCLSA-N 444.469 0.762 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cc(C)n(CC(=O)NC)n2)c2ccccc2c1=O 757822696 KZRSEXIKHWOZBA-UHFFFAOYSA-N 426.437 0.134 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)cnn1CCO[C@H]1CCCCO1 758960652 OOJXAGPEVVHXDW-KRWDZBQOSA-N 435.506 0.987 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 760334608 JWHNUNOBQMMBGM-AWEZNQCLSA-N 430.435 0.379 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 763884870 YUMNSJTYBVUZSK-LLVKDONJSA-N 436.856 0.192 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1OC)CC2 764041111 QZDHSECQSJKABN-UHFFFAOYSA-N 446.485 0.344 50 20 ICGD Cc1nc(COc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)no1 764275206 KGMAMWZYKMCZQP-UHFFFAOYSA-N 441.400 0.828 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cc2Cl)CCN1 764319664 RAOBTPQPUJNSQL-UHFFFAOYSA-N 447.854 0.744 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764368025 SCLBWEQEJHQXAU-UHFFFAOYSA-N 434.474 0.039 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c2ccccc2c1=O 764375753 PRHCEOWMQWBQPJ-IRXDYDNUSA-N 428.493 0.521 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 764409131 ONERBEFQFOPWGT-CYBMUJFWSA-N 446.551 0.303 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 764423472 AJTCEWRXESHVDV-AWEZNQCLSA-N 431.405 0.027 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1NC(=O)OC(C)(C)C 764434526 QOOWTFGXSWKSIE-AWEZNQCLSA-N 438.437 0.544 50 20 ICGD CCOc1ccnc(N2CCCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)n1 767941866 DMJRTSROZYYZQM-UHFFFAOYSA-N 447.521 0.620 50 20 ICGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 771392241 IXJZNQIORHXDRK-ZDUSSCGKSA-N 427.483 0.112 50 20 ICGD CN1CCN(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 773656662 CLBPESUKKMEAML-UHFFFAOYSA-N 429.568 0.453 50 20 ICGD CN(NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205560 MFUBDMNOWFEORD-AWEZNQCLSA-N 447.558 0.436 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccccc2CC#N)CC1 777524478 ZYBZZAKMTVKHCF-UHFFFAOYSA-N 428.518 0.770 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)cc1OC 777738440 UXQIGVYUMYMSCF-UHFFFAOYSA-N 428.511 0.710 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCS(=O)(=O)C1 783427338 ONUBAQZIILMLTO-QGZVFWFLSA-N 428.898 0.603 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 784005032 XGWDFXDLZGLZNS-UHFFFAOYSA-N 435.387 0.674 50 20 ICGD CN1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2C1=O 785181993 HSECUFMCKZMFCH-HXUWFJFHSA-N 449.511 0.461 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795838689 YIHLZSIYISRWMZ-PIGZYNQJSA-N 435.399 0.743 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 806627196 NGIPSSHHEHHKEH-UHFFFAOYSA-N 434.474 0.933 50 20 ICGD Cc1nsc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)c1C#N 811872808 VGYGUACNSNNTPC-UHFFFAOYSA-N 433.519 0.678 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 812729876 XAJAEJDQZCOVKG-UHFFFAOYSA-N 426.520 0.944 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 812732222 XDYQLADZBQCZHH-QGZVFWFLSA-N 430.490 0.500 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1Br 815692686 YKFCACYHHXDHLC-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc2Cl)C[C@@H](C)O1 864234785 VZDTZSOVBAIJBN-MBNYWOFBSA-N 430.719 0.827 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CN(CC(C)C)CCO1 915922880 KZEALROUMQXBAM-OAHLLOKOSA-N 440.570 0.589 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)C(=O)C1=O 916141750 OCBFFNYUJMEIPA-NSHDSACASA-N 441.282 0.055 50 20 ICGD COc1cc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)ccn1 916255497 HPJZFSMVIVYXMQ-UHFFFAOYSA-N 435.510 0.248 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)CSc2ccc(Cl)cc2)C(=O)NC1=S 920978966 YCUHFMYCYVLEDU-XYOKQWHBSA-N 428.923 0.827 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCOC3(CCOCC3)C2)c1 1325895133 JPHHYHHYKJMBHC-HNNXBMFYSA-N 440.522 0.609 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895771 PWPNPWAZQAFSOA-ZANVPECISA-N 431.205 0.705 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783326644 CSAMUADWJBBBBD-QHCPKHFHSA-N 438.289 0.061 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783341369 BNMBCXXSOOKHGT-DOMZBBRYSA-N 425.345 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1783936055 BNFGCDKKAHUXRF-NRFANRHFSA-N 446.483 0.290 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccco3)[C@H]2C1 1785347941 CXDZZEFHOAQHLY-JVPBZIDWSA-N 441.488 0.504 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789873096 REWHQMDHGVLIBP-NXOAAHMSSA-N 437.924 0.821 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176529 XLCNJZYRACRZCY-SMSYFYOWSA-N 433.933 0.827 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1792871425 YGCXPKGOVJIISG-MWGHHZFTSA-N 445.232 0.713 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)CBr)(C1)C2 1792871869 BDTHJWSKVQUJEV-DUGJLFPFSA-N 443.338 0.950 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983138 FRPIYTOULNYPDE-QRJUGERDSA-N 443.928 0.092 50 20 ICGD COc1ccc2c(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)c[nH]c2c1 1793029302 RBSWLVIMWJCHJH-VLBMKZOESA-N 435.908 0.908 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(F)cc1)c1cccc(B(O)O)c1 1795591093 QLQOHRDOAKINIT-REPLKXPHSA-N 426.253 0.836 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1796392547 ZBSJMIVFNLDBFV-ITGHMWBKSA-N 437.896 0.650 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)no1 1799276517 LZXDRVTZQMRBEL-TYYYEBLRSA-N 447.319 0.539 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)CCOC1 1800141477 QLQWGGLPIXORGH-SGQRUEDASA-N 445.944 0.908 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1800977464 PYGADSCOEKMQMY-ZWUHOBOKSA-N 427.841 0.757 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CSC(=N)N)C2)CC1 1809638837 IHUOGOFXSWQDBP-ZVHZXABRSA-N 447.565 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1813071055 OHJMKWUTBYHNRX-UZLBHIALSA-N 441.488 0.936 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768553 DNPDDIVTIIJVBL-RKDXNWHRSA-N 440.846 0.034 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473140 HYXKKFFBCQVXHR-FVNWOWOISA-N 440.265 0.515 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318974 XTKOSBROULRCGF-LLVKDONJSA-N 436.566 0.832 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cncn1 1826797082 DPSWVDPZTSFSDB-RYUDHWBXSA-N 434.526 0.281 50 20 ICGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1829895022 YOTUCVJTRGXZBU-RHSMWYFYSA-N 436.322 0.475 50 20 ICGD Cn1ncc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cccc21 1830731088 HVXLPUWQGHAEMD-YLJYHZDGSA-N 436.896 0.243 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731825 NXSWHCMMEHTDFS-VBKZILBWSA-N 442.896 0.374 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477694 OPHAZWXVFWGUQM-RDTXWAMCSA-N 448.358 0.531 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831640068 XYZBADJMGUESPA-VQIMIIECSA-N 434.002 0.899 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833041098 QCJOWTZDQIKPHR-LPHOPBHVSA-N 428.917 0.210 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833083864 QIFIARBZVRRWEJ-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114954 UPJLXMBHUMCECQ-KSSFIOAISA-N 441.326 0.507 50 20 ICGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1833308674 ZYBZPKYAFFWBFE-INIZCTEOSA-N 439.944 0.172 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833475511 QJDQKUFYTXFALY-ROUUACIJSA-N 448.303 0.392 50 20 ICGD Cc1ccoc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798506 DKVRQUUTIYSFHY-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1834826661 SVDPRHSCQJAXHN-HNNXBMFYSA-N 448.343 0.138 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1Cl 1836232238 LHTJNZFLECOQBG-KZULUSFZSA-N 449.335 0.949 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cocn3)CC2)CC1 1837566220 RNDUANWKTPKBCL-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837566800 NAKQNYSEPUPBGS-FNGKQBHCSA-N 446.273 0.845 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478522 NIVNEBKEJPLQKI-KUHUBIRLSA-N 425.869 0.898 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839202262 YSRYNSPBIOAAGS-BBRMVZONSA-N 449.277 0.189 50 20 ICGD Cc1cccc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839370069 NATKYBXYFYHNJA-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840036957 UFPSFRRWXWUKBN-CRAIPNDOSA-N 443.342 0.903 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cn1 1840151018 UZJVTBAICKXKKY-LIRRHRJNSA-N 442.900 0.199 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1nc(C)cc1C)C2 1843415378 CWNPEIYLHAGQHL-XQNSMLJCSA-N 425.493 0.837 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1)NC(=O)NCc1ccccc1 1846691637 UYGBQEMIKCIOJW-GOSISDBHSA-N 429.521 0.573 50 20 ICGD COc1ccc(-c2nc(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cs2)cc1OC 9930751 YUYHJWUMILDTCN-LBPRGKRZSA-N 439.515 0.952 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)NC1CC1 10213691 LVZPZRUZXWAQQA-UHFFFAOYSA-N 434.518 0.002 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 10292130 UGQSLTZPJLBARZ-UHFFFAOYSA-N 446.533 0.857 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 18178352 FANVNMNJZBIOAG-UHFFFAOYSA-N 430.446 0.530 50 20 ICGD O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)NNC(=O)[C@H]1COc2ccccc2O1 728323337 XHQYEEMYBGIKIN-WMLDXEAASA-N 441.444 0.366 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2)C[C@@H](C)O1 740746814 OXURNBWOKSFVIU-TXEJJXNPSA-N 431.478 0.908 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 740852057 IUJFLOVNBVKEJT-AWEZNQCLSA-N 430.461 0.527 50 20 ICGD COc1cc(NC(=O)NNC(=S)NCCNS(C)(=O)=O)c(OC)cc1Cl 741854581 QBWPOSASOGJEGZ-UHFFFAOYSA-N 425.920 0.407 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 743295956 NHSOULXSFFGMLE-UHFFFAOYSA-N 439.877 0.982 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)NNC(=O)c3cc(Br)ccc3O)nc21 743731862 ATQOYBCAXMWHMU-UHFFFAOYSA-N 435.238 0.931 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 746362057 VTFDMMLYGLXCFQ-AWEZNQCLSA-N 431.536 0.100 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)cc1OC 747348875 URYWCVWWIZRBMY-UHFFFAOYSA-N 440.342 0.805 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 751206690 RHWVLYLKRHRSRI-UHFFFAOYSA-N 431.449 0.943 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc([S@@](C)=O)cc2)c1 753052172 UCDVRUQVECKZSD-MUUNZHRXSA-N 438.531 0.819 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1CC1 753419546 SRNZOJKQROMUFG-MRXNPFEDSA-N 449.460 0.917 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 755083546 DCZVWNLMTZSPAP-MRXNPFEDSA-N 427.509 0.626 50 20 ICGD Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 755286017 IUYRITPPQQZBGE-UHFFFAOYSA-N 432.485 0.885 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC 755845273 BJGSVLVUSJKYDK-UHFFFAOYSA-N 442.432 0.506 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C1 757392543 PSJHDSSHVZGBHJ-STQMWFEESA-N 432.506 0.999 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCC3(CC2)NC(=O)NC3=O)c1 758092734 IDPMRXOHAUJCEF-UHFFFAOYSA-N 435.506 0.955 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758682814 VUBQBVNCQKPDJN-UHFFFAOYSA-N 448.505 0.581 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)C(=O)Nc1ccccn1 758839012 HNWJGWXUVQDFDU-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n(C)c1 760443254 SYLDIJPKWQACQY-UHFFFAOYSA-N 445.542 0.731 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 761073921 ZBMOYUBRAQKPDE-UHFFFAOYSA-N 435.510 0.701 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cn1 762744138 WBQGIWLTVMPJIW-UHFFFAOYSA-N 429.252 0.332 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763746507 ZEBJQRFFKXXDTA-UHFFFAOYSA-N 436.472 0.969 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 763997376 KMMHIQCDFXPKKE-HNNXBMFYSA-N 426.454 0.002 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(CCN2CCCCC2)cc1 764003041 XBFNQOTXHATSHA-INIZCTEOSA-N 436.534 0.236 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764167448 ZUNRIQHWGQGKIP-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764242416 QHOZFMNOHHQPAD-UHFFFAOYSA-N 443.485 0.987 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764400966 RSUQFTBQDMZOEN-NSHDSACASA-N 426.857 0.604 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 765660833 FKTHHWOCSUBNCZ-KRWDZBQOSA-N 437.566 0.963 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CC(F)(F)C3)CC2)cc1 765731207 YTTASLUVZVLBGA-UHFFFAOYSA-N 430.477 0.494 50 20 ICGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 768416943 NZSABGNBAQWOBZ-SFHVURJKSA-N 446.508 0.690 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 768630326 QOUWFQWXNHCROK-UHFFFAOYSA-N 429.476 0.933 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C(=O)N1c1cnn(C)c1 770402245 ZWEUVOIZSXUHDV-GXFFZTMASA-N 442.484 0.841 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3cccs3)nc21 770958260 KFSQDKLCBBGCPQ-UHFFFAOYSA-N 425.496 0.770 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 772069116 BJJULIFZZYTRRG-GDIGMMSISA-N 445.516 0.876 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CCS(=O)(=O)C1 783423833 AVNPZLJJMAUKRF-FQEVSTJZSA-N 436.534 0.839 50 20 ICGD CCOCCOCc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1C 783425393 CDNWLLIDTWGNFT-IBGZPJMESA-N 427.523 0.685 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784214986 AGHPNHPRWAHJFW-UHFFFAOYSA-N 435.462 0.632 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2ccc(-n3ccnc3)nn2)cc(OC)c1OC 788175394 SJBZQFHTZSCHKD-UHFFFAOYSA-N 427.421 0.561 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)nc21 792181061 WDOGBWDPJRHDKJ-HNNXBMFYSA-N 427.343 0.144 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 797817758 FRQWPSMMUZHNIN-UHFFFAOYSA-N 433.515 0.387 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(Br)cc3)n(C)c2n(C)c1=O 801997954 RNLLEPIBWFXVIE-UHFFFAOYSA-N 449.265 0.805 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)c2ccccc21 805783523 YUXZUQLMYJEVEN-UHFFFAOYSA-N 446.552 0.700 50 20 ICGD COc1cc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1C 806766187 OQVJQEHWOVPXLS-UHFFFAOYSA-N 443.464 0.220 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3[nH]c(O)nc3c2)c1 809546268 ZZWYESFWXFZQHZ-UHFFFAOYSA-N 432.462 0.769 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1 809983661 MVRFAMXXWFTERF-UHFFFAOYSA-N 447.439 0.987 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 810195431 KGLJMXVEKDWOPC-UHFFFAOYSA-N 431.474 0.630 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)c2)nn1 812979904 GJLCUFLGDUKBLV-UHFFFAOYSA-N 440.391 0.522 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1C 815568132 WCUFSKDGVJHQDJ-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n(-c2cccc(Cl)c2)n1 815691204 IIOCEBFZENOFTK-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815751867 RTINFZBJJYRTGX-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779667 QCINRHOEEFKMKH-LLVKDONJSA-N 433.202 0.565 50 20 ICGD COc1ccnc(NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 914762949 FPQXKJQIUNNBDX-UHFFFAOYSA-N 437.478 0.848 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918550492 UKIYHHGQMFPISI-UHFFFAOYSA-N 447.469 0.440 50 20 ICGD CNC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 919879567 PMKOVUFGVRKPTN-QMMMGPOBSA-N 425.330 0.872 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc[nH]1 1115816196 JKBFAGCKPHJILJ-AWEZNQCLSA-N 426.882 0.662 50 20 ICGD O=C(NCc1ccc2c(c1)CCS2(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116256640 MZQOCXHZPWVKOW-UHFFFAOYSA-N 444.517 0.553 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778021981 FMHFIHSRBSRTPU-RSUWNVLCSA-N 427.926 0.363 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257764 NOXVECFIZQCZJH-QAPCUYQASA-N 431.375 0.095 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891372 CUZQRBYFPOMPMI-HZMBPMFUSA-N 445.232 0.953 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1ccco1 1781330866 IIHBVBWYEBARLA-BBRMVZONSA-N 432.246 0.530 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782281038 CPPDQJHQNOYCMH-PXAZEXFGSA-N 427.299 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](O)CC2)C1 1782326231 LPFPJUBFFQTLHV-OZQHCQBDSA-N 438.569 0.424 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782699988 URBBTVJPPOTNHQ-UTKZUKDTSA-N 425.574 0.167 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1783875419 RJXDULONFGFDMI-JLTOFOAXSA-N 436.896 0.753 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933790 YKEYSYXBEPUUSE-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979379 BTGFTBURFLKZPE-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787440129 KPORNDDPBNMGIQ-WOLPVMLTSA-N 433.292 0.717 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1790585800 NVXIRQKOOBVDEY-IICXDKKESA-N 426.876 0.714 50 20 ICGD Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792681090 MKRUVYCAOGVYEF-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1792781935 HYEUSFAEQPZZTQ-MIFYACCESA-N 435.974 0.267 50 20 ICGD CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795150254 DRSUHVYUOKPUNF-RMFSNUHRSA-N 431.537 0.722 50 20 ICGD O=C(CCC(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188197 ADOVDJQBQGQKFR-REPLKXPHSA-N 427.310 0.021 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438894 JHFBHOLJWDJBJA-MCYUEQNJSA-N 427.299 0.652 50 20 ICGD Cc1ncc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)s1 1798443586 KPRAOPZFTLXNNJ-BTTYYORXSA-N 428.518 0.945 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(B(O)O)c1 1800528741 NKPVZUWLQYUGNE-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD CCc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806030387 NFSVQZOBKAUDGD-DYESRHJHSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373347 CIQDCWVWLKNDRU-IRFCIJBXSA-N 437.305 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1808256108 YWMSUWAKHYIMOI-KKSFZXQISA-N 427.509 0.426 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1 1814049457 DHHWKSLNGFSSGG-ICSRJNTNSA-N 432.289 0.775 50 20 ICGD O=C(Cc1cnccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350244 LHXNJWDJAAXEJC-CQSZACIVSA-N 437.290 0.081 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)cn1)CC2)c1cccc(B(O)O)c1 1815355001 KYGQXUCSPLFPAT-CQSZACIVSA-N 440.265 0.897 50 20 ICGD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cnn1C 1816563757 DVKIDOQETDYXMN-GOSISDBHSA-N 436.281 0.751 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1817738149 OWFBEBIGJJYKKJ-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CC(C)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820004638 ICKRTQNQMYDMMO-SWLSCSKDSA-N 431.323 0.862 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)CC1 1825132352 APXVBMARSHMXGA-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cncn1 1826091714 ABDVKIQDFQVCRK-NEPJUHHUSA-N 434.526 0.281 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056053 RFNQGXQVGABKHY-RTWAWAEBSA-N 427.354 0.694 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829801089 BFUJOSCYWIQSFL-RIFZZMRRSA-N 440.928 0.048 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1830534489 AEBQXFQQZCOCQP-IAQYHMDHSA-N 433.328 0.639 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830535067 HYMPYUPJYZKFAO-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830732076 QXIQMIXCEAZLJV-PXNSSMCTSA-N 425.913 0.422 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832417312 JQSQCKYKLCOPEV-NRFANRHFSA-N 429.370 0.940 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819452 SBWHYNKRIOLQKK-QGZVFWFLSA-N 447.305 0.966 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837059886 CMBKSRGFLNLGJY-BEFAXECRSA-N 439.921 0.966 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837711806 RAUAHDVONKDACO-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)C1 1837715140 YWIAASVXHXDBHL-PXNSSMCTSA-N 427.618 0.636 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839061322 OYYOKMASJLMNRB-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198439 DHFSXEHPWDPCEQ-WBMJQRKESA-N 438.294 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839963731 UFCHMBJAQIRWDU-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840034110 AKIFIXWIYQEFFC-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598477 XSZKIGRGDVKZEU-ZXFJITDISA-N 443.504 0.377 50 20 ICGD O=C(c1ccc(N2CCOCC2)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013716 DKDQUGFGOOEEDR-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CSc2ncccn2)C1 1843072733 RCZRIXGGEPHIHA-ZVHZXABRSA-N 441.517 0.906 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1846177545 VQUVWECXCMJMHQ-GFCCVEGCSA-N 436.372 0.645 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)nn2)c1 725877890 ACBUXSREEOQEKM-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1c[nH]c2ccccc12 726710557 GFDZDSIJDNCHBR-UHFFFAOYSA-N 436.476 0.641 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)nc(O)n4C)cc2)CC1 728214687 DSNMHJZMTYOCHQ-UHFFFAOYSA-N 444.517 0.972 50 20 ICGD O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)NNC(=O)[C@@H]1COc2ccccc2O1 728323327 XHQYEEMYBGIKIN-PBHICJAKSA-N 441.444 0.366 50 20 ICGD O=C(COC(=O)CCOc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 728330370 IUHSYLFEEJZNCC-KRWDZBQOSA-N 445.384 0.894 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C(F)(F)F)n1 728330909 ZAUNMYOVYUEVLW-LBPRGKRZSA-N 428.323 0.583 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1NC(=O)c1ccccn1 728506981 HQRHGXKEVITORY-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCS(=O)(=O)c2ccc(Br)cc21 729819383 ISRSDUKTEFSNPC-QMMMGPOBSA-N 438.325 0.385 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2ccccc2F)c1 731330329 KARYLNLJEAQPSZ-UHFFFAOYSA-N 438.481 0.408 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)c2ccccc2c1=O 733658414 XGSWIXBGPQSUPJ-UHFFFAOYSA-N 443.464 0.083 50 20 ICGD CO[C@@H](CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F 733662252 ZHQHYMQREZSRSW-ZDUSSCGKSA-N 438.428 0.992 50 20 ICGD Cn1c(=NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)sc2ccccc21 733887986 FMEBYXOIAAZGBN-LBPRGKRZSA-N 445.526 0.872 50 20 ICGD CCn1c(NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742243053 CIFMNKIZSHRDDM-AHMITGRASA-N 425.445 0.410 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 744724011 IJXPXJFSEQULSD-QGZVFWFLSA-N 436.424 0.873 50 20 ICGD C[S@](=O)CCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 745846904 CKRFESKXJRXKQU-PMERELPUSA-N 427.490 0.711 50 20 ICGD CSCc1noc(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 746786144 WOVVPKXNGGTGHV-UHFFFAOYSA-N 441.535 0.642 50 20 ICGD Cc1cccc(N2CCN(CCCCNC(=O)NNC(=O)C(=O)N3CCCC3)CC2)c1 748454452 UXQXUILZAFUHGO-UHFFFAOYSA-N 430.553 0.850 50 20 ICGD Cn1c(N)c(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 749812663 QNSMBNXHBLHPQF-UHFFFAOYSA-N 437.456 0.774 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 753790717 XLCPBIIIIKVDPX-INIZCTEOSA-N 446.957 0.473 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 756836641 CIFJUHWOAAOJLM-GASCZTMLSA-N 432.485 0.185 50 20 ICGD COc1cccc(C(=O)NNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1O 757872512 CALXMMAZTZJIQC-CYBMUJFWSA-N 436.465 0.678 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 758039173 IGGLPTMOZCXKNO-JSGCOSHPSA-N 428.511 0.380 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1S(N)(=O)=O 763523547 TWRVUXUGSNLNRY-UHFFFAOYSA-N 442.453 0.901 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 763681545 LQXQLBSBFKDQLG-UHFFFAOYSA-N 428.445 0.952 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c(O)c1 764110723 MDKDHRVYAMQVPQ-UHFFFAOYSA-N 432.458 0.422 50 20 ICGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764153603 MIPOTKZVSCRTIJ-GOSISDBHSA-N 440.456 0.877 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O 765314271 YHLOGRDBXGPVSU-XCLFUZPHSA-N 439.513 0.939 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3Cc4ccccc43)CC2)cc1 766636712 SBXAXUUWAZPOHU-FQEVSTJZSA-N 442.541 0.789 50 20 ICGD COc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 769604707 REWLTKYWXOQLNE-HNNXBMFYSA-N 431.357 0.748 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)COc2cc(Br)ccc21 772015466 GSABMJDTFMJPBU-SECBINFHSA-N 428.239 0.664 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1 776540593 YGQUPGHGBWJAMI-LLVKDONJSA-N 429.524 0.251 50 20 ICGD COCCOc1cc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccn1 777426092 WCPFZFPHDWWHNY-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc([N+](=O)[O-])cc1Br 779148400 RYEYSHHFTCSIDW-RFHZTLPTSA-N 439.222 0.963 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CCS(=O)(=O)C1 783423837 AVNPZLJJMAUKRF-HXUWFJFHSA-N 436.534 0.839 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCS(=O)(=O)C1 783425833 DZVYLWOCJNONMX-QGZVFWFLSA-N 428.417 0.973 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002346 CQMSVNYADKFQHN-UHFFFAOYSA-N 429.433 0.181 50 20 ICGD O=C(NNc1ncccc1Cl)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784815258 SLLCGMWBQXHJLH-INIZCTEOSA-N 445.863 0.831 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1 784851917 NIQDCZDWUBINRG-NSHDSACASA-N 425.442 0.616 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2S(C)(=O)=O)c1 785686615 LKLXGQKIOZJPET-UHFFFAOYSA-N 439.515 0.344 50 20 ICGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N1CCN(C)CC1 788165612 DFWXORDORPGPOH-OAHLLOKOSA-N 436.538 0.272 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 788224106 RKYJFWDGCXMIAJ-GFCCVEGCSA-N 432.458 0.601 50 20 ICGD O=C(CCOCC(F)(F)C(F)F)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 790783894 HANNZHRJCXCKPI-UHFFFAOYSA-N 448.417 0.899 50 20 ICGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794489125 WOBDTOBDNPUJDB-MRVPVSSYSA-N 428.319 0.916 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1OCC(F)F 806976566 GWCFTBRGAQITMJ-MRVPVSSYSA-N 439.824 0.505 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977882 COPGPXNDKMASBA-HZPDHXFCSA-N 428.489 0.750 50 20 ICGD O=C(NNC(=O)c1cnc2[nH]c(O)nc2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 809546073 WSOGWUVAYYJYAF-UHFFFAOYSA-N 430.446 0.523 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C2=O 812729637 SEFBJARVGMUEJK-BFUOFWGJSA-N 437.522 0.881 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)cc1 813033250 KYOVOVPVMXGCQD-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1c(C)nc(O)nc1O 839384726 ZEMZLEJZYXILAR-UHFFFAOYSA-N 435.462 0.371 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 913573060 NJPLXQXHTAVWQN-UHFFFAOYSA-N 443.485 0.290 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc(C3CC3)nc21 914452772 VVHZRWKHDZNDBE-UHFFFAOYSA-N 437.412 0.758 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915858280 WKASDAXPSIUDPD-KRWDZBQOSA-N 446.464 0.769 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(CCN(C)C)CC2)nc1 916382881 UBAKNHXRWPDGDD-UHFFFAOYSA-N 427.575 0.420 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)Cn1nc2n(c1=O)CCCCC2 1319369363 AKPCMNXHYKLXJQ-UHFFFAOYSA-N 436.538 0.991 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 1324049523 MJCRWCLEMMFGFN-ZDUSSCGKSA-N 438.531 0.837 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1779123090 OQEOCGICGUQZQD-XJKSGUPXSA-N 447.261 0.233 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779386965 DZQKGYJHFCTDTE-XTDOFWJNSA-N 425.917 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781135136 TZYLFJIYUSIPRE-QFIPXVFZSA-N 435.569 0.208 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781248162 SMTZPVASFOSCMU-XCLFUZPHSA-N 448.432 0.098 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331261 HHOJIDANUKEBJR-CJNGLKHVSA-N 431.262 0.800 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331734 VHQLTECSIZIZQJ-BDJLRTHQSA-N 442.245 0.569 50 20 ICGD O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1782565993 JBNRNIFTNYPOPE-IVMMDQJWSA-N 432.294 0.873 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676616 LEDGWXAXRKFZFQ-IRXDYDNUSA-N 433.292 0.627 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1783884321 RHLAMTBIPDRUIF-OXQOHEQNSA-N 445.944 0.939 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783929847 PSCAKXDEXLJLHH-NWANDNLSSA-N 425.251 0.123 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1783937077 FOKCHYMPXYZUMG-HXUWFJFHSA-N 442.438 0.920 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1791254943 XGUDTPIZQBGVFC-LQSBQDLSSA-N 446.957 0.022 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1(F)F 1792155076 DSSIDVFQAGTQCB-MBIOBJJBSA-N 437.447 0.324 50 20 ICGD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879295 XSWCZSSLHUAREV-NIFZNCRKSA-N 433.933 0.743 50 20 ICGD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1793882873 YJHKVNXWTYNWMI-FZKCQIBNSA-N 444.960 0.270 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188694 JTHXYSORRTUEGX-BCDXTJNWSA-N 442.350 0.583 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cccn2c(O)nnc12 1796288663 KYEMQHONOBJQNO-QCMRWSPLSA-N 442.245 0.329 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803143141 VHHWPAVINIWAGS-HYVNUMGLSA-N 431.880 0.721 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806075337 DYFVFHXZDOBNAX-QAPCUYQASA-N 431.537 0.937 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1806769124 QQBMBNMPDFVACB-IACUBPJLSA-N 436.303 0.823 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806784141 ZPYWFOHCLPAIOA-KXBFYZLASA-N 440.504 0.561 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369267 DIVWEABUEYKNRN-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cn1nc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)cc1O 1807486613 DCVRUJWFRFJDRJ-UHFFFAOYSA-N 441.492 0.283 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069047 SLGZVJHNZOLHJK-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n(C)n1 1816137842 DLHUTSSAXXQEBJ-AWEZNQCLSA-N 446.512 0.831 50 20 ICGD CCn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1816555179 IKDFFOOTNIJBTD-SFHVURJKSA-N 436.281 0.926 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818136003 SCBHMGDTVLWDKJ-OAHLLOKOSA-N 435.529 0.547 50 20 ICGD COC(OC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824338184 MFAWQLXFQWRSNY-QGZVFWFLSA-N 433.509 0.537 50 20 ICGD O=C(c1cncc2cnccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731213 HXDCDDCFJYFKFY-XLIONFOSSA-N 434.880 0.300 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1831649790 BTMTVQXWBHGAQX-XLIONFOSSA-N 430.977 0.098 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1833521847 YUXXVASURASTTC-HNNXBMFYSA-N 426.634 0.921 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833521943 HMQZHLNPOMTEBU-IAQYHMDHSA-N 433.328 0.639 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1834163785 NSFDQDPXANBWHP-GUYCJALGSA-N 429.315 0.582 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242208 SYRYSPSYDGYEAF-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834735042 PXFVJSLMVQXQFU-QGZVFWFLSA-N 441.649 0.002 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834824598 IGTXHSHNGZDXQG-GOSISDBHSA-N 438.956 0.674 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnn1 1834824770 LVNUMQYEKFZCCM-BBRMVZONSA-N 430.303 0.081 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1834847919 AWBKXXRQOMVTID-GUYCJALGSA-N 435.315 0.427 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846449 LDYAQDDLQLLOIM-ZUZCIYMTSA-N 433.328 0.579 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1835939876 LUXRDUSEXUQDMO-HSZRJFAPSA-N 442.321 0.017 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837059888 CMBKSRGFLNLGJY-HNAYVOBHSA-N 439.921 0.966 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710215 OGGCRQXUAGKTJX-HNAYVOBHSA-N 429.590 0.209 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1837919080 BPKYRWBHFXHFKW-UHFFFAOYSA-N 425.294 0.621 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839143487 WYMABKXELRDQJZ-FZKQIMNGSA-N 430.864 0.870 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839151770 CTOVNAJZLQWHIY-ROUUACIJSA-N 438.352 0.011 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155361 RRXSQIWVHDYYSU-RRQGHBQHSA-N 443.393 0.793 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CC1 1839202605 LBENPUDUTJLHOH-ABAIWWIYSA-N 437.262 0.087 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840052456 GYQKZFOEQSQVRB-YLJYHZDGSA-N 428.888 0.814 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1840151099 WLLZYSIOMNILDN-LPHOPBHVSA-N 428.917 0.210 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1O 1840185064 HBENPKAPPYCNFH-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1840517939 WCXPKUQHWYXKTQ-LDRXLRCLSA-N 429.926 0.521 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841387195 XXSANNFEVUZPOP-RTWAWAEBSA-N 434.301 0.479 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841634781 BWRWSCLBNXXCRI-PXNSSMCTSA-N 445.564 0.943 50 20 ICGD CC[C@H](NC)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843005014 LIWSXLYSLSSWFV-SFHVURJKSA-N 430.553 0.534 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 3478562 XCIXXSOJSOIEEG-UHFFFAOYSA-N 439.877 0.931 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 18821247 VRFSUDVRTDYWFN-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)c2ccccc2c1=O 28580898 KHFAOWGQLNGJHD-UHFFFAOYSA-N 447.455 0.934 50 20 ICGD O=C(NCCN1C(=O)Cc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 725860694 VLRXVVGAYWQDKX-UHFFFAOYSA-N 430.490 0.513 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc(Cl)c1 726710489 CCFHQWFVZGLPJS-UHFFFAOYSA-N 431.884 0.813 50 20 ICGD CCCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728331289 IDXKULGTEGNQGM-WMLDXEAASA-N 433.461 0.698 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccccc1S(C)(=O)=O 732302166 BYQNOVQJRDBOEF-UHFFFAOYSA-N 442.519 0.206 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 735646461 BUFQKWJLYWWDMO-UHFFFAOYSA-N 425.401 0.695 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)c1 746299531 GPFLRDBIOHEOFL-UHFFFAOYSA-N 445.457 0.668 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNC(=O)Cc1ccncc1 747515370 OELJNRNJLISYJZ-UHFFFAOYSA-N 438.225 0.806 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)C1CC1)c(=O)n2Cc1ccccc1 747906533 HPHBNSWAVADEGE-AWEZNQCLSA-N 438.488 0.621 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 749400997 VMXQKFHHFAZHCL-CYBMUJFWSA-N 437.474 0.726 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c1 752279173 AAAXVNAZZSTJQB-KGLIPLIRSA-N 425.507 0.549 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 753112972 QWGWQFLLYNFHJD-UHFFFAOYSA-N 436.538 0.897 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 758044017 LRGQOSKBLMKRDL-MRVPVSSYSA-N 444.872 0.828 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNc2ncc(F)cn2)c1OC 760920016 HIAANKJPKFULIE-UHFFFAOYSA-N 441.441 0.411 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCN1CC(F)(F)F 762526601 GTBANOLLWVRBBX-LLVKDONJSA-N 436.460 0.903 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)cc(OC)c1OC 763540319 SRRJAEAWVCXLLZ-UHFFFAOYSA-N 444.444 0.941 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1OC 763550471 OCRNCNLCNHXOPY-UHFFFAOYSA-N 428.380 0.823 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 763645860 ZUCRKLFCXYFXPG-UHFFFAOYSA-N 447.455 0.980 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 763649960 OJEULYNBJXLELR-UHFFFAOYSA-N 438.437 0.255 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)n1 763891747 SHYKDYWMWYTBBD-UHFFFAOYSA-N 429.405 0.282 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1OC 763902163 RKMVSAWHFMRMAD-UHFFFAOYSA-N 442.428 0.849 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 764047707 KUJNWNZEFDFEJY-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1 764193029 VODSJIWHVZPNDY-UHFFFAOYSA-N 433.486 0.825 50 20 ICGD O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)NNC(=O)c1cnn[nH]1 765427948 NVIWNXIALIMIIS-UHFFFAOYSA-N 425.434 0.653 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 766932035 PKSDELDRSWXJPJ-CYBMUJFWSA-N 431.474 0.128 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cccc21 769266703 POGWSZKIOQCJPU-UHFFFAOYSA-N 447.492 0.986 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cn1 770448804 BLOXEMMYUSWPJM-UHFFFAOYSA-N 440.865 0.603 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 770513396 UJOBDWLESRYABM-ZDUSSCGKSA-N 439.900 0.519 50 20 ICGD CCc1nn(C)cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770595831 HIDFLAOBUPUAAV-UHFFFAOYSA-N 449.533 0.397 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cnc2c(c1)NC(=O)CO2 771105959 SQSJMFIJDSAVEB-UHFFFAOYSA-N 434.792 0.693 50 20 ICGD Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)c(C)s1 772627775 YHHSRKFBLWPUIU-UHFFFAOYSA-N 440.507 0.007 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCc1ccc(OCC(F)(F)F)nc1 773263918 GIHYRYVAOMWNTM-UHFFFAOYSA-N 429.355 0.919 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 774008318 GDNUSRXZEDYCEY-SNVBAGLBSA-N 437.840 0.804 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2C[C@H](OCc3ccccc3)C2(C)C)n(C)c1=O 776777208 RNHHGLOAVVIZCY-INIZCTEOSA-N 438.488 0.921 50 20 ICGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)n1 778708364 ZSPNTUJCJGKCCF-OCCSQVGLSA-N 431.449 0.847 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)ccc21 778712858 LGFOGDOZCGEDOC-SFHVURJKSA-N 438.440 0.312 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(C)nc2-c2cnn(C)c2)cc1OC 781299069 MPBKDQHRLIOMBC-UHFFFAOYSA-N 442.432 0.456 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998625 FWPIATSHBWDQCD-OAHLLOKOSA-N 443.504 0.718 50 20 ICGD CN(C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1)C1CCCCC1 783999568 QANAOEQLQYPMCL-UHFFFAOYSA-N 443.504 0.800 50 20 ICGD Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000133 ODBCJWKXESSMRZ-UHFFFAOYSA-N 428.474 0.645 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1cccc(OC)n1 784843255 JSEYWRUICBZGBQ-UHFFFAOYSA-N 434.405 0.984 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 785703151 BZYLDWKAOIPVBH-CRAIPNDOSA-N 430.413 0.129 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(Cn2cccn2)on1 794393459 QLRUBZLZLZKOQE-UHFFFAOYSA-N 437.460 0.138 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1C 794576785 NDPWEDMQRALBDC-UHFFFAOYSA-N 443.503 0.544 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)cc1C 794579301 URZWUUWAAIYIRZ-UHFFFAOYSA-N 437.503 0.483 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 796552606 UVKUCPVTRPSRGU-QZTJIDSGSA-N 429.477 0.689 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 797368728 GHZLUYRFLVRYHA-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cc1 798333880 ZTNFNPKKIRZSBC-UHFFFAOYSA-N 427.504 0.460 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 804954777 IEDHQLRCZQHWSJ-UHFFFAOYSA-N 429.462 0.909 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccnc(OC)c2)c1 806972488 BBYIPTWWRADXRP-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCS(=O)(=O)C1 810392942 HYAGLVCHNBIRPV-LJQANCHMSA-N 429.458 0.882 50 20 ICGD O=C(NNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)[C@H]1CCS(=O)(=O)C1 811680500 SZXWJDMYCHBVPJ-LBPRGKRZSA-N 436.471 0.634 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814211751 OTBWRAIBLWYPEW-UHFFFAOYSA-N 438.506 0.318 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl 815691211 IMCDQFVBVMZWCR-GFCCVEGCSA-N 449.899 0.220 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc21 815751946 VQUYPBGQOQSNAS-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 817053216 IVFBJVHJYZIRRY-LJQANCHMSA-N 431.474 0.748 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O 917625384 QDTSEPXLOJRCQU-GXFFZTMASA-N 444.307 0.384 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)NNC(=O)c1cccs1 918740546 OZCUMLDRJWTLTL-UHFFFAOYSA-N 448.530 0.392 50 20 ICGD Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919883225 BULBTMPVEHPUBS-OCCSQVGLSA-N 428.536 0.573 50 20 ICGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)c12 919884020 DDBMWLJPLMTVHH-GFCCVEGCSA-N 438.510 0.044 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1cncn1-c1ccccc1 1115902649 FHWXSYVGJKWLAV-UHFFFAOYSA-N 428.474 0.795 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC 1116476977 XKXZMFQVQIMKJS-LIRRHRJNSA-N 441.506 0.774 50 20 ICGD CS(=O)(=O)CC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1117697899 QJFHZVPHAWVSFF-UHFFFAOYSA-N 431.540 0.091 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1318005096 DLMRHIBLKQNHLJ-UHFFFAOYSA-N 425.488 0.638 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1321013831 JGQDFRICAXOWCM-UHFFFAOYSA-N 445.542 0.066 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778251137 UGHLNVXNFPVGQX-XMSQKQJNSA-N 430.505 0.193 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779556554 ALFJXQFMJSFNJD-HDMKZQKVSA-N 448.358 0.436 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781102231 BZIDSFYTSIKSIE-FCEWJHQRSA-N 445.402 0.626 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1cccn1C)C2 1782179002 RNMYUFFIPZCMND-YYFZDKIDSA-N 425.913 0.976 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1783933976 PUOOQPLPIRCBLY-KKSFZXQISA-N 433.509 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)COC3)CCO2 1783935055 OFRVVBLZHVMFRU-JOCHJYFZSA-N 430.505 0.533 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(O)c3)CCO2)C1 1783936898 AEEJCCSAYDSROD-JOCHJYFZSA-N 432.521 0.528 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783963905 DFNNKJRLFAIDSC-MRLBHPIUSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]21)[C@H](O)CCl 1784092742 VHBDOYRRVPYBDX-OWLYRPNTSA-N 433.896 0.460 50 20 ICGD CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)N(CC)CC 1784631747 GRLXHAVHNHVDSY-VJANTYMQSA-N 439.601 0.460 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519582 SOKCEZSLUATQFF-IMIFBBOLSA-N 439.310 0.557 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785566818 QRHJPJVEXSCFLC-LAUBAEHRSA-N 437.924 0.809 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982988 JSXBMKNINVKCNX-BPUTZDHNSA-N 440.227 0.302 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cccc1 1788611455 YMARVYHJMZLXPO-LNMJFAINSA-N 440.504 0.341 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789927015 NVKDIDFIHHCUTN-SBJFKYEJSA-N 436.322 0.961 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1790963355 GDPPVGGMEVRFFL-QTVXIADOSA-N 430.343 0.666 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791063568 LDQUJZHTGZSEMP-XUXIUFHCSA-N 433.347 0.123 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(F)nc3)C[C@@H]21 1791287954 HSVITQNKWLUWIO-BZSNNMDCSA-N 449.527 0.506 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4nccc4c3)C[C@@H]21 1791290970 FUBZHJGFFYKLCX-WDSOQIARSA-N 442.520 0.301 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc(Cl)ccc1F 1794232555 XQWSDVSCSOHFOL-FVCICTRLSA-N 447.659 0.071 50 20 ICGD Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1795983579 HVPWSLUNUSZLBO-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796098311 OMTLMWFPPSCTKV-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1COc2ccccc2O1 1796190041 SFYQULIICTXBSB-BMQTXXJKSA-N 436.273 0.458 50 20 ICGD O=C1CSc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)ccc2N1 1796289981 BDJRHGOEELZEBO-IFOZYUSPSA-N 439.921 0.534 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)no1 1796419397 DNVJQLONTHKGJC-ANGCBRKESA-N 447.261 0.592 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1796441392 GKCZSQVGLSNYDH-IRLPRSGCSA-N 448.483 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccs1)C2 1797750891 WPYSIXHVTGKEPW-IVWMJMPLSA-N 429.502 0.193 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C2 1798439804 IFKCHZYSSCGUDN-ZSBIGDGJSA-N 428.405 0.752 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncn1-c1ccncc1)C2 1802333667 ZWWTYCRWKMSPOM-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803148280 PTWMLCTUCDRURU-SUNYJGFJSA-N 435.868 0.262 50 20 ICGD CCc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806030401 NFSVQZOBKAUDGD-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359990 NYFUFZYPWINFSW-IHPCNDPISA-N 425.294 0.098 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812494516 XOABSPBKKHKWKO-JJXSEGSLSA-N 429.926 0.264 50 20 ICGD COCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815335637 IPLMRHNUSMUAES-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCCN1 1817472382 GMPFXCHVKARIKU-DYESRHJHSA-N 425.298 0.538 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(O)nc2O)n[nH]1 1818022105 GRLZNVWKHATEHC-ZDUSSCGKSA-N 446.468 0.290 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824587793 FAMRULCPVMTAHF-BEFAXECRSA-N 429.326 0.111 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1826622340 IVRWASMWFVVGGA-SFHVURJKSA-N 426.558 0.642 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cn1 1830535887 VTZRKYMLEVRIQF-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544252 RWSBKUMKWDWHRB-KYZJQNDMSA-N 446.342 0.514 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831646485 KHXBWVDFOAHIDO-JTDSTZFVSA-N 444.985 0.877 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831955307 HFTJUKUQSKFIAI-BEFAXECRSA-N 427.885 0.414 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835372610 UWRNHJVZKSUDNZ-APWZRJJASA-N 446.386 0.960 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)o1 1836028817 PDGCDPZIQIQGTC-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836048316 FCMZRZQJTKKWKD-GOSISDBHSA-N 441.326 0.651 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1837809764 NATFMHKKXKRFRF-KRWDZBQOSA-N 429.945 0.861 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)C1 1839202012 QIZAJDAHXSGCMJ-VBQJREDUSA-N 436.322 0.475 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840150966 URZPCDOXQDPMQZ-LIRRHRJNSA-N 444.916 0.446 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840153735 YUSXHGXRCIZWCN-BEFAXECRSA-N 437.884 0.282 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265223 HBHAUAXRJTZKHS-JKSUJKDBSA-N 441.488 0.258 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845541178 HSQLXEWCXHNUGI-UHFFFAOYSA-N 439.233 0.419 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1846384269 WQGBZYJRGRJTKU-HNNXBMFYSA-N 437.541 0.572 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOCC1 1848099335 JMXCMEOOSGSDNA-JYJNAYRXSA-N 444.960 0.653 50 20 ICGD O=C(CCBr)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848213676 FQYRIDOXJJJCAU-SWHYSGLUSA-N 439.310 0.980 50 20 ICGD CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 728134374 KMGLUJYUOZIETM-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 741627800 JGBOTXABNRAIMZ-UHFFFAOYSA-N 446.508 0.376 50 20 ICGD Cc1ncccc1C=NNC(=O)C[C@H](C(=O)NN=Cc1cccnc1C)N1CCOCC1 741766735 NEOWOPLTAJERJQ-HXUWFJFHSA-N 437.504 0.785 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 743290415 GAIZGKLAWIMFGU-GJZGRUSLSA-N 426.539 0.386 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 743601487 DDNDPSCJTIHHFN-UHFFFAOYSA-N 426.543 0.597 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744460118 QAGUKRGUGTZVFH-UHFFFAOYSA-N 447.469 0.480 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 744545565 AXTLNRYDNGOIRF-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 745987817 HHKNFFLCVQFNTJ-HNNXBMFYSA-N 441.466 0.211 50 20 ICGD O=C(CCc1nc[nH]n1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 750015395 YFLJAESKMNXGFS-UHFFFAOYSA-N 428.474 0.677 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)n1 750579193 WMWYYXLNSDEGNB-LLVKDONJSA-N 431.474 0.775 50 20 ICGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2cc(F)ccc2Br)C1 753668192 FUSXYOWBILCUAM-VIFPVBQESA-N 437.291 0.814 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763548121 JOHRGERPGNZKGX-UHFFFAOYSA-N 429.385 0.757 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 763569920 CRUMZJNELVJDFG-QGZVFWFLSA-N 442.403 0.878 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 763679495 MEQOAYPLMKMXKY-UHFFFAOYSA-N 430.314 0.715 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1C(=O)OC 763758144 OSKZWARYWUHKDW-UHFFFAOYSA-N 442.428 0.726 50 20 ICGD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)CNC(=O)c3cccnc3)c2C)n1 763823422 BUBIADXPSSEGLW-UHFFFAOYSA-N 436.476 0.411 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763945389 XGMBCTMDBYBWDH-UHFFFAOYSA-N 449.427 0.721 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Cc1c[nH]c2ccccc12 764558394 FTHUOWUQYBVZQI-UHFFFAOYSA-N 435.488 0.777 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCc2cccnc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 766328953 PNQCAKCUIRFEND-GOSISDBHSA-N 444.513 0.984 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cc3c(C)nc(C)nc3O)CC2)cc1 766649651 RXRYFNIGZPUILK-UHFFFAOYSA-N 426.521 0.615 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 770951167 OAMGVXATJNJCDO-LLVKDONJSA-N 435.487 0.767 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 771932939 COKTUKHHMQALTK-KBPBESRZSA-N 433.461 0.936 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O 773411395 KGRRQTJHKRPTHR-HUUCEWRRSA-N 425.530 0.191 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1 773888052 FMFOCPJRSXITEB-UHFFFAOYSA-N 437.449 0.954 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc(C#N)n1C 777836552 LAHKZWLCMXJTES-VGOFMYFVSA-N 440.323 0.939 50 20 ICGD O=C(NCC[C@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780908741 VTMZXYOTPCMGHN-MRXNPFEDSA-N 440.522 0.611 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 781334011 YWVIBIMRRHSIFU-IUODEOHRSA-N 435.433 0.526 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)c(OC)c1 782120891 MBMUORAFIOMUMD-UHFFFAOYSA-N 439.222 0.972 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NNC(=O)C3CCC3)cn2)CC1 786417769 YHKNYELKTARZDT-UHFFFAOYSA-N 447.496 0.420 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 789852796 OGPGRNWFZYNIGG-UHFFFAOYSA-N 440.441 0.189 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 792811568 YUUNWWCGAMMKII-INIZCTEOSA-N 447.517 0.992 50 20 ICGD CSSCCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 793078239 KRSIMUXMUSKWLY-UHFFFAOYSA-N 426.564 0.815 50 20 ICGD CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 793313856 ZXHGBGWAQPVAPJ-INIZCTEOSA-N 439.538 0.204 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2nnn(Cc3ccncc3)c2C)c2ccccc2c1=O 794776416 WLYQQOVSRWENNM-UHFFFAOYSA-N 432.444 0.834 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Br 797035929 MWJQZOBUXWLQDA-UHFFFAOYSA-N 437.172 0.832 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1S(N)(=O)=O 801106822 IFQKDTANBYOYLZ-UHFFFAOYSA-N 438.437 0.119 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 802111362 HJDBEUZRWQHSBA-MNOVXSKESA-N 444.897 0.537 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)ccc1Cl 806341694 PUCXATODIJJRSG-SECBINFHSA-N 442.803 0.302 50 20 ICGD CSSCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807229867 LIEJIORPXCIEGQ-UHFFFAOYSA-N 434.565 0.663 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033517 XFCYJXFRHKOLAM-UHFFFAOYSA-N 449.489 0.604 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815567290 SXHZYVWZIDKFSQ-UHFFFAOYSA-N 443.157 0.927 50 20 ICGD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692578 VGWCMNBZQBDHNX-JTQLQIEISA-N 432.462 0.352 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1 834578631 BGAYKHHIAYARSI-WYMLVPIESA-N 431.470 0.971 50 20 ICGD CCCNC(=S)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125057 BYAGJBVPDOZZLE-AWEZNQCLSA-N 444.579 0.858 50 20 ICGD CCCN1CC[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 919796630 HUHGBMCXHBPCNY-MRXNPFEDSA-N 425.555 0.678 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1CCS(=O)(=O)C1 919886619 XVNUZDMYUJMFPA-ZDUSSCGKSA-N 449.455 0.834 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)NCc1ccccc1 919911903 WSNGQNJCBOBYTM-ZDUSSCGKSA-N 432.506 0.629 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(Cc2ccccn2)CC1 1337480297 GPJMQTONJQUNFB-UHFFFAOYSA-N 445.549 0.983 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777973764 DFTRIIIMXNPNSJ-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1779028817 AVZHEDTUVOPXTD-HXUWFJFHSA-N 435.481 0.055 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032713 WMPMNMPMGOXVJA-KSFYIVLOSA-N 427.505 0.897 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780487025 VIZSWQHSDCCHDP-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969115 VKHIUTPHGDXCEA-IIBYNOLFSA-N 449.577 0.481 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1781051411 UFXDZZVVPJKYME-BKTMZONDSA-N 437.896 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781586308 KRQSTFMKJQAGHJ-HXUWFJFHSA-N 442.438 0.920 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782167364 MIJFUFUCBVMYGX-PSTGCABASA-N 431.946 0.961 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1783874048 CAHDESVFWACFPW-FOIQADDNSA-N 445.944 0.937 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CCO2)C1 1783876490 YDGBIFYPHAQZSD-IIBYNOLFSA-N 448.907 0.700 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c2c1 1783934570 HRXHSEABGGAXOS-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1783974946 XBBNBBRCOQBGJS-OEAJRASXSA-N 427.343 0.973 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C[C@@H]21)[C@H](O)CCl 1784085212 DCSCGYBOKAKYDE-WPUCRFQZSA-N 443.859 0.856 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21)[C@H](O)CCl 1784092583 QGPFNCXTGOEIBG-FATJJJSSSA-N 429.832 0.927 50 20 ICGD CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N(CC)CC 1786980063 FJXKYVWWSSPVGJ-WJMWBRGCSA-N 445.369 0.080 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]cnc3C)[C@H]2C1 1787649294 YTBJMOKZLVSHQF-SKIHNHESSA-N 441.492 0.445 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(Cl)c2nncn2c1 1788557574 RGHILHNEWHPEOX-LVGORTOPSA-N 442.303 0.576 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788562617 PWVIWOWLHSOJKH-YTFOTSKYSA-N 447.374 0.705 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1788757454 KXQDIFJELGJUHF-LXFSFDBISA-N 430.343 0.830 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789941122 OEBIGESPDSLORF-YTFOTSKYSA-N 430.343 0.618 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291527 WTXAIWVWXUDZNL-OWSLCNJRSA-N 446.552 0.235 50 20 ICGD CS(=O)(=O)CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791986802 BYLHOKCVYBFWTN-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1792783076 LECJPLZRURUUEL-GNXNZQSNSA-N 444.941 0.306 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2)[C@H](O)CCl 1792979667 AUMHNUZXYFHURQ-UKBAYJJMSA-N 437.924 0.326 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)[C@@H](O)C1 1793115715 UAVPEFQYJXHEFH-KARBZBNUSA-N 445.944 0.452 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793805772 YQGVKKYIRQDEIK-VWPFQQQWSA-N 430.343 0.762 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1C)C2 1796439693 XDCYJCGIDBOIEW-LLJCUJCISA-N 438.488 0.727 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(F)cc12)c1cccc(B(O)O)c1 1798141079 MYXPIIAHDYKODH-BJWYYQGGSA-N 436.252 0.947 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1798522900 BTEDQXFOQSZVKF-ZTENYAIWSA-N 447.444 0.760 50 20 ICGD NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799348922 QYIOXUCFVJCCNV-RDBQEKCUSA-N 428.258 0.679 50 20 ICGD Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799799447 YKHRLVQKXONVID-CEQLMSFQSA-N 433.273 0.064 50 20 ICGD O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800179696 QIBBETYZKSKIEY-OWLDWWDNSA-N 431.262 0.395 50 20 ICGD C/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800471729 JYWFNBGMXVQRBF-KOGGDLKSSA-N 443.548 0.888 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1803696091 WTKQNYFUMLMFLH-HBFSDRIKSA-N 440.972 0.782 50 20 ICGD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804692762 WYZZZOXSAHSLLD-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075264 ZRHZOSYNMHYBSA-PLMTUMEDSA-N 432.569 0.801 50 20 ICGD O=C(Cc1ncccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815997260 SLPVOKPRVYFBMF-QGZVFWFLSA-N 434.265 0.428 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726551 ZSEMYAWMXBUPIR-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831988342 VSYAZBSBPMXIRE-JKSUJKDBSA-N 425.913 0.785 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1833264643 MLZTUGLHCPINFT-KGLIPLIRSA-N 443.386 0.725 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400731 LASABUKJKCXKAB-PXAZEXFGSA-N 445.314 0.227 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n[nH]1 1833824130 CVGKVCSSMUFFDH-ZWKOTPCHSA-N 447.319 0.919 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC=CO3)CC2)CC1 1835724147 UPAJQRYDHWWOAM-IBGZPJMESA-N 435.569 0.624 50 20 ICGD C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC=CCC1 1835933835 GYJVRILXHPUHGH-XZOQPEGZSA-N 442.321 0.183 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837123747 ASSJTTHKXBLMHB-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1837489171 RUDBDVZWIDFHLF-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826999 LLBZNBCBWPVGIH-GOSISDBHSA-N 440.529 0.844 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203555 OSZLLGIMDVBBJG-DOTOQJQBSA-N 447.305 0.810 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839964555 VMIWCRVNOZENGY-GUYCJALGSA-N 445.314 0.550 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839965810 LYCOQQVERQDSDG-OLMNPRSZSA-N 432.359 0.758 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839966165 WMLIXVLNQJUIPE-CXAGYDPISA-N 446.298 0.410 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1840150224 HZWJSRNOXWWYPE-DNVCBOLYSA-N 446.331 0.988 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840187528 GYVOAQKMTGFQDP-QGZVFWFLSA-N 449.291 0.572 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188657 WCICEVNLIMHULF-DDGWYSKLSA-N 438.308 0.776 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)[S@](=O)c1ccccc1 1843014832 HHVQUOVBWGNMBL-MKTHODDLSA-N 440.330 0.380 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc(O)c3ccn(C)c23)C1 1844638498 VORIIRUTADSUQT-UHFFFAOYSA-N 428.493 0.469 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)c1ccc(F)cc1 1846385474 KPCJOLFOLYQCKO-HXUWFJFHSA-N 447.511 0.579 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 26530211 HJGQIHAXEKXOFM-UHFFFAOYSA-N 425.438 0.590 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cccn1C 726540702 JZLPYVHNYBVBOZ-CQSZACIVSA-N 436.490 0.028 50 20 ICGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854190 OTNSAXNBHUFONL-UHFFFAOYSA-N 433.490 0.879 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1 729623675 OMLNONMPEMEBLR-CVEARBPZSA-N 441.554 0.055 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474927 ZKQVXCGOYMSKFE-OAHLLOKOSA-N 432.474 0.023 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3ccnc3)nc2)CC1 735116751 DJDQBXZYHWRVQV-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD Cc1nn(C)c2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cc12 735117226 DHEZOHSQEVVXES-UHFFFAOYSA-N 444.521 0.365 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)c1cnn(C)c1 735461045 FYVQTFGLKRXILH-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 740635181 SFNWPMGQFFUPPL-GOSISDBHSA-N 449.460 0.611 50 20 ICGD C[C@H]1CC(=NNC(=O)[C@H](CC(=O)NN=C2CCN(C)[C@H](C)C2)N2CCOCC2)CCN1C 741765932 GFICSEIXBCWIAA-UWVAXJGDSA-N 449.600 0.250 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)N[C@H]1CCS(=O)(=O)C1 742577011 KOUJLNCQSNWFGU-NEPJUHHUSA-N 438.535 0.425 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ncccn3)CC2)cc1 743289153 OCCLUAATJNNWGO-UHFFFAOYSA-N 433.490 0.737 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cn(Cc2ccccn2)nn1 744620833 OZXPCVMXQNXOAB-UHFFFAOYSA-N 443.489 0.499 50 20 ICGD NC(=O)c1ccccc1OCCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 750544270 JJGBLADLAGKZBT-KRWDZBQOSA-N 443.412 0.085 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659359 FRYGYUHPUKNBJS-UHFFFAOYSA-N 445.498 0.746 50 20 ICGD COc1cc(NC(=O)CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc(OC)c1 752009151 DPSQLJKSNDMWRD-UHFFFAOYSA-N 435.462 0.464 50 20 ICGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(Br)s1 753002527 GSBOLCLORUWYDQ-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 755248222 MMPRGLZTDPEPKT-JTQLQIEISA-N 448.427 0.636 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccn(CC(=O)N(C)C)n2)c2ccccc2c1=O 756312193 XVPAFIQMPXPKJS-UHFFFAOYSA-N 426.437 0.168 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c(F)cc(C#N)cc2F)c1 757643639 CZXXFBRHUKFCEP-UHFFFAOYSA-N 444.441 0.710 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 758046979 VDWPTNQAKVZMOD-VIFPVBQESA-N 426.476 0.280 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(Br)cc1-n1cncn1 760172567 KZCZXTZHUPUGTR-UHFFFAOYSA-N 444.249 0.616 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNc1nccc(N2CCOCC2)n1 762862538 VKSWJVBAPQYQKG-UHFFFAOYSA-N 446.533 0.830 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 763509367 TXZCRAXOICIUCD-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1F 763574571 FFTFYEPVCVMYLP-UHFFFAOYSA-N 444.419 0.706 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679444 MTQBNMCJCITXMF-UHFFFAOYSA-N 444.469 0.310 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2ccn3C)c1 763718407 LBHGVGONYOSHCB-UHFFFAOYSA-N 443.485 0.828 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cn1 763852881 IYTSMSRWXOTFMG-CYBMUJFWSA-N 438.444 0.336 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764166609 DZRMGTPJIKYSKT-KRWDZBQOSA-N 444.469 0.217 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccn3)cc2Cl)CC1 764267159 QCWJROIPHHBCEQ-UHFFFAOYSA-N 430.896 0.815 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)N1CCCCC1 764297194 MPAJXRQGIHPVGW-UHFFFAOYSA-N 448.505 0.601 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764321059 QEQFGEJMWUWTHN-UHFFFAOYSA-N 434.449 0.694 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 764424289 HOUMZEFOVQAFQV-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 764430864 UUEHETLAAJECQO-UHFFFAOYSA-N 427.421 0.275 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)N[C@H](C)C3CC3)CC2)cc1 764512289 AWTQBKPRPFNVAY-OAHLLOKOSA-N 439.607 0.595 50 20 ICGD O=C(CSCc1cccnc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642118 JOPFWZZQNPZQFQ-UHFFFAOYSA-N 427.530 0.920 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)CC2)cn1C 766744967 VHSFDEUILDYGCF-MFOYZWKCSA-N 441.517 0.687 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(C(=O)OC)nc2)c2ccccc2c1=O 769621825 SENSGOPHLVJQMR-UHFFFAOYSA-N 445.457 0.611 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 770949268 CSRZRFZCDJIMRA-KFWWJZLASA-N 429.514 0.882 50 20 ICGD Cc1ccn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(=O)c1 772385691 HUAPCGQANNMSPJ-UHFFFAOYSA-N 431.924 0.775 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 773081449 CKHBETZKTGPVMT-UHFFFAOYSA-N 445.501 0.875 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 775669455 JSISGVIUEUKVKY-UHFFFAOYSA-N 429.476 0.274 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 777279900 VTFPAEXSSAIAOO-GJZGRUSLSA-N 431.515 0.215 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 778515548 PFASXJDHIRQINV-HOTGVXAUSA-N 440.478 0.024 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc1 779577724 GIVXOAQRHOODHK-OCBCSQNSSA-N 428.445 0.971 50 20 ICGD O=C(CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)NNC(=O)c1ccc(F)cc1 782052422 CLWFYZDHRYAYPA-KRWDZBQOSA-N 426.514 0.913 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CCO1 784002987 NVTBYAQUMYTJOG-CYBMUJFWSA-N 429.433 0.021 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 785330030 CDNLBRBBQFGZKG-UHFFFAOYSA-N 435.458 0.896 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 786413844 HSTUZHUPIQZLPV-CYBMUJFWSA-N 431.449 0.767 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 786581588 ZZEFHKAFEQBXTJ-NSHDSACASA-N 432.311 0.452 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cccc1NC(=O)N(C)C 792356431 PTEMCQIACIBVMO-UHFFFAOYSA-N 429.433 0.959 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3COCCN3C3CCCC3)CC2)cc1 793683129 QJVGATJDCIIHBP-JOCHJYFZSA-N 443.592 0.903 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c(C)c1 796989937 MXQCUOYQWNFQJM-UHFFFAOYSA-N 428.445 0.593 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797445887 NQKCSLPBRYJJHP-HXUWFJFHSA-N 428.470 0.774 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 810386383 XACJGBYEIKELOJ-UHFFFAOYSA-N 439.226 0.957 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812730467 KFWQXLUTRTWSHG-UHFFFAOYSA-N 442.519 0.876 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)n1 815568337 DHPBGADYVXECMW-LBPRGKRZSA-N 432.458 0.683 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cnn1-c1ccccc1 815691500 RXDNAKFHSXNWBC-CQSZACIVSA-N 436.476 0.936 50 20 ICGD COc1cc2nc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)n(C)c2cc1OC 816809189 OFAOBEBAXWQSBQ-UHFFFAOYSA-N 427.373 0.934 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2)cc1 816827707 BSDQKTYWTYWIST-IRXDYDNUSA-N 446.485 0.769 50 20 ICGD CN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 825172954 ALZCMHOJZJULAF-UHFFFAOYSA-N 426.341 0.439 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155949 JDBDHRKIYORFKC-UHFFFAOYSA-N 447.452 0.321 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)COc1ccccc1C#N)C(F)(F)F 916378842 VQECINQUIKWUKR-KRWDZBQOSA-N 440.382 0.841 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 916567633 WJZORBOABVCYIT-UHFFFAOYSA-N 439.515 0.560 50 20 ICGD O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 917214193 IBVFFMLFPKZNIN-SNVBAGLBSA-N 429.842 0.857 50 20 ICGD Cc1nn(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1[N+](=O)[O-] 919969825 CFYJYXJLDRAKGS-UHFFFAOYSA-N 436.450 0.496 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212555 PFSFGXQIVKWBFO-ZBUUCQELSA-N 426.539 0.227 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 920350515 VHYQPSPBQFZXGV-QEEYODRMSA-N 438.550 0.817 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccccc1CN1C(=O)CNC1=O 920932597 RCZUSNWPGYQNNL-MRXNPFEDSA-N 425.401 0.731 50 20 ICGD C[C@@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320645403 QBRYASRAFXIMMA-INIZCTEOSA-N 440.589 0.990 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1333425829 YGIDPJQIGLWZRF-UHFFFAOYSA-N 429.476 0.461 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1O 1779036985 LDWDHKSCEJMBOQ-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779068005 ICOGKJHZVRPDIN-WMLDXEAASA-N 449.298 0.096 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602396 APWMPCNZIUMFIT-CGSPGFDNSA-N 432.359 0.397 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781498171 HSJYQCDIBIBTBJ-PJIJBLCYSA-N 442.900 0.329 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)Br)C4)C3)(C1)C2 1783539489 KGCRDXZFAQAWML-IMBJVDQRSA-N 429.311 0.943 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783712562 SPJSPBNRELBNIC-LPMFXHHGSA-N 433.933 0.983 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1783970340 SFXFBYFWKRRANO-MNXVOIDGSA-N 427.299 0.394 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1783973793 CWTXDHJSVVDMRP-AICCOOGYSA-N 428.331 0.850 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784550606 ZZOGSQMLSVVQFN-BMBVIKESSA-N 447.536 0.507 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785000035 GKYVWLVPOVGPAP-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787431781 JEHRZYTWLTWYQM-QCZKYFFMSA-N 429.271 0.265 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176604 FVXKCWXQXLYQEW-TUUVXOQKSA-N 435.912 0.942 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1789590123 HBKLPEZXVUYHJL-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@H]1c1ccccc1 1791203576 CTFLCCMQHBIONY-LCNLMQJVSA-N 448.328 0.763 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791609941 OGGANRDZAZFTRK-MRLBHPIUSA-N 428.331 0.850 50 20 ICGD O=C(CCn1ccnn1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791884352 BVKSYIUYBGUOGW-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1792867794 HLULTPPREFZEHV-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794069645 OGWYCBLUUPACQD-DDFXLWFNSA-N 435.830 0.832 50 20 ICGD COc1ccc(OC)c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1795368085 MHJRHFYEHPQTCA-DOHHPOSVSA-N 440.924 0.826 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cccs1 1795755965 WTIOQKGIQPNZFA-GFYLOJAKSA-N 441.513 0.663 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189682 OSDXAPVACWTAEW-HUJKARHJSA-N 436.321 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2cc[nH]c12 1797096011 UPPBKFFTYBGCOX-CWPLJXCYSA-N 427.505 0.744 50 20 ICGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1F 1797748367 SQINBAZYRYCGAZ-HBCWATKFSA-N 441.463 0.650 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680228 HNRXQKFGGKIOCV-SGPHBRAGSA-N 433.933 0.827 50 20 ICGD Cc1cccc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)n[nH]c12 1800071525 OHIYKNZPLXPTLF-CWPLJXCYSA-N 448.288 0.068 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800642951 FOJQPHVEKIOIKA-NDKCEZKHSA-N 437.356 0.327 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1806757679 KNOIJNYKLXHMFZ-GJZGRUSLSA-N 445.992 0.636 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808260869 YYBKPROUTCLXEE-IJEWVQPXSA-N 432.845 0.830 50 20 ICGD Cc1noc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809966667 JIHSUIKBKMVOKT-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811459278 MJQLZLQQJDZPJY-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813535316 XCAPPAOXWDEDCV-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1 1813660579 KGOVGYODNVQXRI-QVWMHLQHSA-N 429.521 0.353 50 20 ICGD CSCC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361443 FJIORUDOWKOSPN-HIFRSBDPSA-N 449.363 0.163 50 20 ICGD CN(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795241 LALDWGYSEMJBKZ-NSHDSACASA-N 431.522 0.319 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1 1822411008 VPJRHCBXLQKGMS-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048830 AFOMZDWDAWLRHX-LAUBAEHRSA-N 426.322 0.638 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830543235 NPXGBBQCJVNRGY-SJKOYZFVSA-N 446.298 0.268 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1830543804 DQHGGFGWQPBMOT-CKEIUWERSA-N 444.330 0.327 50 20 ICGD O=C(c1cccc2c1OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728491 UJWCHOGPYPCTBC-YWZLYKJASA-N 440.880 0.128 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830984815 FZLRCFJWSWIMJI-JJRVBVJISA-N 429.315 0.684 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831643663 GDQUMNDJGRXITP-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831649159 QITLGUUGRSPPEI-GXTWGEPZSA-N 443.342 0.941 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1C[C@H]1C1CC1 1833246366 FLGVYLJPZIJILZ-VXKWHMMOSA-N 439.365 0.598 50 20 ICGD O=C(CCC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929323 LMLYPKWUCBBVMZ-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835939614 BSWXJKYCFXKAHN-PMAPCBKXSA-N 444.337 0.263 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412491 IVQGLUZVZLPTPE-CQSZACIVSA-N 442.351 0.293 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)[C@H](F)Br 1836414718 ZZGCCEKCPYWSGK-INIZCTEOSA-N 445.337 0.930 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3noc4c3CCCC4)CCO2)C1 1836429981 JIFBAMGDFJIDHC-FOIQADDNSA-N 441.912 0.877 50 20 ICGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cc1C 1838153014 ZXGJPJIXHDWULD-DNVCBOLYSA-N 428.917 0.535 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152975 PENUASUKOUSKGW-HCXYCLFGSA-N 443.393 0.838 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203082 ZBNJJETUJASYER-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839216880 SQMFJRJNHKHZGO-MDYRTPRTSA-N 426.897 0.510 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448957 KLHMSJNDKQQIBF-DNVCBOLYSA-N 428.869 0.422 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839712409 WUKCMVZGMLWUNR-KBXCAEBGSA-N 443.342 0.679 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840032136 OGYWUVSRFGWBEP-XHDPSFHLSA-N 437.360 0.243 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840032255 SPGAQZKLXKLKKJ-SJKOYZFVSA-N 429.315 0.826 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840152034 VATPZOWOQXJJTE-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840154946 LGNPYFSDMWWLBX-LIRRHRJNSA-N 430.860 0.855 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840185690 UZXYJBLPHDDESK-JOCHJYFZSA-N 443.504 0.001 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840819310 CBRDCNFZIQUYOC-IEBWSBKVSA-N 425.844 0.928 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1)NC(=O)OC(C)(C)C 1841354390 WMIWJAXSBDMRNG-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2C)n1 728722662 HEJPFVLFOSVBCX-CQSZACIVSA-N 433.490 0.793 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN(C)C(=O)OC)c1 729296041 RYCFWYIDCBAGPJ-UHFFFAOYSA-N 428.511 0.957 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 732991902 NGWFGFYPWHHCEO-UHFFFAOYSA-N 429.828 0.674 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc(-n3ccnc3)c2)CC1 735118299 QWMSBLZKFFNGNZ-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1OC 735584773 YYXAPUUPKVJTKY-OAHLLOKOSA-N 430.465 0.967 50 20 ICGD O=C(COC(=O)CCCc1nc(C2CC2)no1)NNC(=O)[C@H]1COc2ccccc2O1 740313285 PUEMGJGQQRUVEM-OAHLLOKOSA-N 430.417 0.800 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1Br 740850922 GLDFLBLCBMJYDS-UHFFFAOYSA-N 435.300 0.162 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(Br)c1 742769911 WFVWRDXATAGTDQ-WCQYABFASA-N 444.307 0.246 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744551220 KKOYTUKZMGHRIO-YEJXKQKISA-N 441.444 0.363 50 20 ICGD O=C(CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 746092441 PECRNPYWGZRPJU-DQRAZIAOSA-N 440.504 0.263 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)C(=O)N1CCCC1 748448099 WPBJXOLTYKBSTE-UHFFFAOYSA-N 437.522 0.314 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749221736 TYEVEGJFIORVAT-UHFFFAOYSA-N 436.472 0.616 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 749343184 JTJUYLNABJPDDP-UHFFFAOYSA-N 443.526 0.471 50 20 ICGD COc1ccccc1NC(=O)CN1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 749818834 GGOMXZNVKSPEDA-UHFFFAOYSA-N 426.477 0.630 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 750668350 LCBHWMIQLOAIAX-CQDKDKBSSA-N 425.445 0.258 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2C1 754173613 GVCHDFSFEKWOFW-CQSZACIVSA-N 437.460 0.548 50 20 ICGD NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 756773766 CUDNKPKSNKFFDT-YOEHRIQHSA-N 442.428 0.144 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1=O 757779879 ANKMFJIUQIJQRX-UHFFFAOYSA-N 431.474 0.770 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2c1=O 761657276 MAJGSIWCADPYPP-UHFFFAOYSA-N 435.487 0.761 50 20 ICGD CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 763358988 HYQBKKMAEYDMRJ-UHFFFAOYSA-N 435.506 0.713 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)c1 763622919 IAMMUNDQSHMTLU-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763918513 GLEMROVUHFRGIR-UHFFFAOYSA-N 436.465 0.841 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1c[nH]nc1-c1ccccn1 763945072 UQBCWDWXNGHCDN-UHFFFAOYSA-N 432.400 0.763 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 764125546 YSODAKNCLOAIEL-GOSISDBHSA-N 441.440 0.742 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1COCc1ccccc1 764227067 LWRQGDLBHAHMJB-AWEZNQCLSA-N 448.501 0.427 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764260140 QCBPAVYKWGEZDJ-UHFFFAOYSA-N 435.322 0.803 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764289214 PUPTWEVCATUEPX-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCC(=O)N3CCOCC3)n[nH]2)cc1OC 765602220 XAEVGXSUMVRXBP-UHFFFAOYSA-N 431.449 0.494 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccn(C(C)C)n3)CC2)cc1 765729511 SWBOPIMGQVBPCC-UHFFFAOYSA-N 448.549 0.540 50 20 ICGD COC(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 769005930 VWTBPBOCAMNPPV-UHFFFAOYSA-N 448.501 0.910 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)nc21 770359398 BAQRGJOUISYISR-HNNXBMFYSA-N 430.444 0.908 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 770983649 ODWNKXBAMJXILE-UHFFFAOYSA-N 445.505 0.929 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 771610712 VXDVJHXCTLFGLK-KRWDZBQOSA-N 430.486 0.547 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 772014755 YILRQEVTLVGLCT-YSVLISHTSA-N 437.468 0.455 50 20 ICGD C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 776226586 GXADVQVCHRXTOS-MSOLQXFVSA-N 434.518 0.986 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778441538 LWVKSKCJJKYTCK-UHFFFAOYSA-N 428.511 0.907 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n(-c2ccccc2)n1 784003575 JKYIZPRBZSVPQM-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3cccc(OC)n3)cc2)CC1 784842262 KQRCYZWTEXZCAU-UHFFFAOYSA-N 426.477 0.950 50 20 ICGD CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cccc21 789734712 NGZSKRFCDXZIFD-OAHLLOKOSA-N 428.445 0.942 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1C(=O)O 793446427 GMWQUMGPQWQSEH-MRVPVSSYSA-N 429.842 0.210 50 20 ICGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 794292851 JTTKWABYHNVEQN-UHFFFAOYSA-N 446.414 0.859 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 794599368 YQDLFOHJSDRHRW-UHFFFAOYSA-N 447.473 0.113 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1F 797369434 WVTAHDKGGKYZRI-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD C[C@@H](Sc1ccccc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(N)=O 801103271 CLKVVGOHDGEGFN-LLVKDONJSA-N 425.470 0.974 50 20 ICGD C[C@](O)(CO)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 801976297 UIKGTZCJEFLHQB-ZCVQUTFNSA-N 431.880 0.845 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cc(-c2cccs2)[nH]n1 802937347 UBELIMWYYVEPIY-UHFFFAOYSA-N 445.486 0.754 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1C 815567151 PYGCRSVCVFCMAW-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691199 IEPOAMGDDVRJQI-SNVBAGLBSA-N 434.478 0.427 50 20 ICGD CCOC(=O)CC1(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 821132535 SBJGMSJGRXXNPK-UHFFFAOYSA-N 432.524 0.338 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc2ccccc2cc1O 918781177 LCPJLPFUUVMBIN-HUUCEWRRSA-N 431.470 0.342 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1318572870 GAQSMEOGWLFUQR-UHFFFAOYSA-N 437.386 0.473 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)cn1C 1778288365 SMMAREHGSLHDAG-XMSQKQJNSA-N 433.553 0.834 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1778310904 TUMKXBTUJNAZFA-KRWDZBQOSA-N 441.410 0.471 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779306506 WYFUKCFIAWIVAV-CJBNDPTMSA-N 429.315 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811582 VJUJCNHZRPJWGA-PFRKPPGBSA-N 442.451 0.798 50 20 ICGD O=C(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)Nc1ccc(F)cc1 1780878373 GJXKTJGTQKTIQV-DNVCBOLYSA-N 427.860 0.584 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1781227541 BAZYYUGKKPQGND-IAGOWNOFSA-N 431.276 0.855 50 20 ICGD Cc1cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2[nH]1 1782536556 LZKHYCYZOFCCBZ-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]3C2)n1 1783965344 JFZDXLVZWJFCTG-PYJNHQTQSA-N 429.315 0.931 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786873847 BDYZANAFWVRBOV-IICXDKKESA-N 425.327 0.845 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788778938 WHZMTWXISCKMDA-RBZJEDDUSA-N 448.358 0.291 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791301847 QMDXPCOBLGVHAK-CYDGBPFRSA-N 437.356 0.957 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793109728 FJGHTGPLDCIIFX-QRJUGERDSA-N 445.944 0.860 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1cccc(B(O)O)c1 1793271754 ZPMDCMCBPRXLNO-REIKKDASSA-N 439.233 0.833 50 20 ICGD COC(OC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793359297 LXBFUGLLDLQQRE-BCDXTJNWSA-N 447.536 0.590 50 20 ICGD O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793904347 VPVODMXPRHOXKP-HBCWATKFSA-N 448.737 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cn1C)C2 1796442007 MQRRIWGXRUFCKE-POKDIBPUSA-N 444.467 0.501 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1cnn2C 1797090317 ZMIUMWZVQJSNQM-USGNIVHTSA-N 442.520 0.150 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798647759 BYLLWIAJZFVUOC-JONQDZQNSA-N 437.504 0.833 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1799277710 VZPNCJUAZWUECB-MSNRECKUSA-N 444.319 0.066 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CCC2 1800049725 JKNHVVARZXWSGK-OHTBPHCPSA-N 425.327 0.895 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccccc2C1 1800679069 QVQQZMGYAHLPNU-DXKRWKNPSA-N 448.328 0.375 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)cc1F 1801869561 SKBAFXJYZOOIIC-BAESOJJISA-N 436.864 0.967 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807364106 RZFYFYJVIZPCSM-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)C1 1807563320 IYOUZFBMCWXHHZ-XQBPLPMBSA-N 444.580 0.802 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807879592 AKTDKVCILLQKQO-GDAAHCPNSA-N 437.972 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1 1810302077 FNWMOXSDWJPFHJ-CZUORRHYSA-N 436.432 0.097 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873252 TYQPWVCFVXKGGI-VNQPRFMTSA-N 426.949 0.637 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)N(C)C)CC2 1817279801 GPWCRJAMAWECLH-BPDROILWSA-N 445.505 0.277 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817473520 YZNUPDBDVUELJD-GOSISDBHSA-N 426.282 0.822 50 20 ICGD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)COC1 1817477396 XWVXQUFYQOTUSL-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD CCc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)co1 1820751867 SIBFWHOGKYXAPQ-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc[n+]([O-])cc3)sc2C1 1821054712 XDQRPNRIGQOOKD-CYBMUJFWSA-N 432.506 0.375 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1825447267 UQIWHABVOCAROB-IUCAKERBSA-N 428.316 0.915 50 20 ICGD CC(C)n1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826086490 WSTMNOFSYWRFGW-GFCCVEGCSA-N 448.553 0.914 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n[nH]1 1829012194 TVOQGPKQEFQICR-NRFANRHFSA-N 438.337 0.874 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830737210 DXHJDHXTOZPPCR-QOIOWGMHSA-N 446.928 0.022 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831205938 XWAJAFIKLWACOQ-HNAYVOBHSA-N 433.933 0.003 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729520 GZSGJJRUTHZPOA-UZLBHIALSA-N 438.912 0.285 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1833263808 UBKKHQWWZLCGOO-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD CC(=O)N[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(C)(C)C 1833399734 DNGDFYAHYIBKJD-QZTJIDSGSA-N 445.004 0.709 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)no1 1835774356 QQLVKPWGASKRHC-QGZVFWFLSA-N 443.907 0.819 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844048 COWYLQMGRXXEDK-MSOLQXFVSA-N 430.977 0.727 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1C 1836031580 FEMOPOSDYDHJMG-GOSISDBHSA-N 425.961 0.767 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714911 CEYYYYFYYLCKEC-INIZCTEOSA-N 444.891 0.994 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837012579 ZIWDSMZYCOQZFY-YWZLYKJASA-N 436.896 0.887 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1837711828 RXCPBFBRHINSSW-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)[nH]n1 1837987028 BHHDTODQAOYOLW-IFXJQAMLSA-N 428.917 0.377 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839253770 BUOHQKGAFQXBPX-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448956 KLHMSJNDKQQIBF-BEFAXECRSA-N 428.869 0.422 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839774413 XWNIDPXEXGTJPV-YJBOKZPZSA-N 434.892 0.911 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839995371 NSUGGMCJFHGVBA-WMDOEDGGSA-N 438.908 0.765 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031321 MFCXGMNVUCFCEJ-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)c1 1840036522 MXGHKTJXNGRGGF-HDMKZQKVSA-N 443.342 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840149472 QEXMFJLLYTTYFO-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1840152201 ATRJHBXXSMUQGP-KPHUOKFYSA-N 440.928 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1840154078 KTXGAAXRXXPLOT-IFXJQAMLSA-N 428.917 0.857 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840483506 QKMZHQAOPKEENI-MOPGFXCFSA-N 446.331 0.901 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840717082 GHJOJFUOGHENQH-RDTXWAMCSA-N 436.814 0.774 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011528 MFWZAJJZEOMDML-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014687 OXYPGJJEJXZZSE-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cn3ccc(Cl)cc3n2)C1 1843810891 ONMMIGJAOPHMOV-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD Cn1ncc2cc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)ccc21 1844264433 RXJOABLDBYYDOP-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217803 PMFQLSQEBLXNFI-KFWWJZLASA-N 445.944 0.814 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15888606 NUSJEOBUNFZKCV-HNNXBMFYSA-N 436.424 0.909 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 24299134 TYCROANUTYIJBF-MRVPVSSYSA-N 429.202 0.053 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 116505565 WQKTWCKSPIJSSV-GFCCVEGCSA-N 439.494 0.020 50 20 ICGD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 729512244 GOEPYABWVGFQJO-HUUCEWRRSA-N 425.507 0.705 50 20 ICGD COc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1S(=O)(=O)NC(C)C 730781634 VSGIFCZUIMDMFR-UHFFFAOYSA-N 437.474 0.928 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 732195185 JLLXJKFJNIJPBK-CYBMUJFWSA-N 432.493 0.853 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1=O 746780133 MQMDINKLONXVCR-LBPRGKRZSA-N 448.457 0.755 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)[C@@H](C)O)cc1 754754189 MMGMBWPMPSETBL-RHSMWYFYSA-N 445.501 0.440 50 20 ICGD Cn1cc(Br)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 760994132 BFWNUEKCRZEBMZ-CQSZACIVSA-N 438.234 0.932 50 20 ICGD COc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763791697 XPYRDBHSRRURAI-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)n1 763940509 SKJIUHMSIIOEQV-UHFFFAOYSA-N 429.300 0.668 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 764086701 VJSUDRPSEIJPBS-GFCCVEGCSA-N 426.495 0.148 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764141903 HDTRWYKXSDMWNF-UHFFFAOYSA-N 426.495 0.610 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 765396256 OSSUYFFGDJJLGP-UHFFFAOYSA-N 435.481 0.243 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 766268355 AXLHFHDKONRBJX-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766659630 DRPAUNZGEHSJNO-UHFFFAOYSA-N 446.939 0.838 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767853225 OIDJIGJXPGLEQU-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)N2CCOCC2)C1=O 770222257 IHTINGHZNBZTIQ-QGZVFWFLSA-N 427.820 0.319 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1 770248293 ZOCBVQWLQNUYAE-UHFFFAOYSA-N 432.437 0.936 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 773681464 UYWPCYLWKDWEKF-UHFFFAOYSA-N 429.458 0.661 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 775676633 HAHFDRZWWIWGAU-UHFFFAOYSA-N 448.501 0.168 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778441584 MONIXHMSVOUKLG-NSHDSACASA-N 430.483 0.034 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl 778517011 INOXTQJUKBEAFJ-UHFFFAOYSA-N 434.902 0.681 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ncncc3Cl)c2)CC1 781820696 YJZASQVKGLXPTR-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782896364 GXUFZBMHKHUSOA-UHFFFAOYSA-N 432.506 0.754 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)cc(F)c1Br 785991346 QLAHZKIOXZIANN-LURJTMIESA-N 440.222 0.248 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 786675194 GMZNWNYHWHERQZ-JVCXIRSZSA-N 425.441 0.900 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368401 AQXHDOSPTSIVRW-UHFFFAOYSA-N 434.430 0.547 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c(OC)cc1Cl 802081120 CAOCCFBXBVXOMM-UHFFFAOYSA-N 433.812 0.965 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)c1 815565345 LGCAGIMXFBSHGP-UHFFFAOYSA-N 442.436 0.108 50 20 ICGD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816874568 FYGDIYOBYUVPQH-NSHDSACASA-N 448.461 0.865 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C\C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 818328176 REDVKXNKYJMWBC-WCIBSUBMSA-N 427.446 0.508 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCNC(=O)Cc1ccccc1 822197130 MCLHWEHSBYUTKN-UHFFFAOYSA-N 431.518 0.798 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O 913571533 JWTQZNHGNIUBQC-UHFFFAOYSA-N 443.485 0.464 50 20 ICGD COCCn1cc(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)ccc1=O 919580991 IYWNBGRKPFQCNL-UHFFFAOYSA-N 437.836 0.775 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N[C@@H]1CCS(=O)(=O)C1 919885332 ONPYETHXNMUOPI-HUUCEWRRSA-N 430.486 0.710 50 20 ICGD O=C(NCCNC(=O)c1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 919916861 XCGILMIXFSCSIX-UHFFFAOYSA-N 436.469 0.493 50 20 ICGD COCCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 920862787 IRSOMLJWDFDCDU-UHFFFAOYSA-N 433.918 0.503 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)C1 1328308832 NGXWSNKCZILQGK-CQSZACIVSA-N 440.522 0.759 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C3)CC1 1778849911 FKQYISFSICGURX-LSTHTHJFSA-N 449.423 0.984 50 20 ICGD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC=CCC1 1784754433 ABHRHAZGLYYDSR-VXKWHMMOSA-N 427.505 0.875 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634363 HVGLZZVOIQDANH-MNXVOIDGSA-N 428.283 0.462 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788135532 KECSIGUMKSBTIE-QPSCCSFWSA-N 446.342 0.839 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(F)cc(F)c1 1789640176 CPMMJKJECKGPFJ-GKCIPKSASA-N 444.243 0.552 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791055600 ZAZYZNODNJTEIM-XUXIUFHCSA-N 442.310 0.065 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)N(C)C 1792700752 PNSXKDUEKVVWRC-NGYDUSEUSA-N 431.497 0.030 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792716141 QWTYAUSSGZXSGE-QJESEZNXSA-N 426.897 0.572 50 20 ICGD COc1ccc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)n[nH]2)cc1 1792978354 RWWAYLUDMXMGRK-GTYSZEQSSA-N 448.907 0.888 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793452239 UGFMUFWXDCUZMX-HCZIRCDUSA-N 433.933 0.827 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740574 BVGJFTXZLTWOCH-ALOBAPJISA-N 436.317 0.448 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)[C@@H](F)Cl 1796362575 GNHXSBUMIMPCTA-DLTLXFJOSA-N 432.901 0.974 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)c1 1796366730 ATXQZDQABXFZKN-OWLDWWDNSA-N 436.864 0.967 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C(F)(F)F 1798113712 VPTPJUBGSQYALW-LYIQGSDWSA-N 438.834 0.896 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1800206480 PXNFJYLMLOTUFI-FMSGJZPZSA-N 429.304 0.593 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800642046 SWPXNLYNYLYTJV-QNSTZXKLSA-N 433.347 0.457 50 20 ICGD CO[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccccc1 1801012926 FMMLUDJZWOTONY-JWWGGVBKSA-N 432.521 0.337 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1802546700 JNXLMSRHSCOUCT-LVCYWYKZSA-N 446.552 0.375 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803551701 AVHWMVHWSJUPJH-BLIXFSHQSA-N 429.521 0.499 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1805677305 XJOOIYIIKDJKMU-KKSFZXQISA-N 440.504 0.875 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807371743 ZLCCJYFDVUATRM-GCJKJVERSA-N 447.304 0.057 50 20 ICGD COC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1812692632 NKOFCJHWGKPAGS-VQIMIIECSA-N 445.520 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1813069782 BVURKUMRBLTBDI-IERDGZPVSA-N 440.504 0.875 50 20 ICGD O=C(CN1CCCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335687 KKMBCYJNUPVREQ-HNNXBMFYSA-N 428.323 0.145 50 20 ICGD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)co1 1815339992 ZOISTUFQRWDPBY-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncn2)[nH]n1 1819402565 BRSFMDJZIOJQJS-INIZCTEOSA-N 435.448 0.818 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1820856560 FVPUCUZAPGSUTG-SKDRFNHKSA-N 433.860 0.859 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)[C@H](F)Br 1820936038 XYXSMXWVZXKUIM-CORIIIEPSA-N 448.293 0.743 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)c3ncon3)sc2C1 1821022996 PUSBFLYLZOUYMJ-OEXWIMQBSA-N 442.461 0.886 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cncc(O)c1 1822230880 GNYDFMNAHHIRND-SFHVURJKSA-N 435.249 0.810 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826618847 OTIFLPJYHMLVLP-HXUWFJFHSA-N 432.326 0.263 50 20 ICGD O=C(CCOc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725790 RVOGKBGJQIROLC-FXAWDEMLSA-N 426.897 0.512 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830738086 LLRIPMXKVXJTMS-UZLBHIALSA-N 426.897 0.673 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873247 FLXXTHSTUJQJRR-MJGOQNOKSA-N 447.584 0.907 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833068993 ULEGQYNTEHBJPD-FXAWDEMLSA-N 443.928 0.934 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1833262204 JQYUBPHZFUFBAP-BBRMVZONSA-N 443.386 0.868 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1)c1cccc(B(O)O)c1 1834801141 NICIJYIRTIPFEF-UHFFFAOYSA-N 435.333 0.865 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnc2[nH]ncc2c1 1835522156 NWISABQPLKCIMQ-QGZVFWFLSA-N 434.928 0.743 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835862708 SMMXCRMFLRJWKZ-PXNSSMCTSA-N 425.913 0.463 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028842 REGRKKWZPCWHPI-CXAGYDPISA-N 445.314 0.550 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838675998 KVBQFGHJFBKGNG-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD O=C(c1cccc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198022 QBZKZSUEZMQKHP-CZUORRHYSA-N 432.246 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840153902 FJAJSXZEQQQIFB-DYVFJYSZSA-N 435.308 0.397 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841432621 KQQFYNLJPFPSDS-KBPBESRZSA-N 429.901 0.368 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1844692340 MEDLDFRTFWCFFV-UHFFFAOYSA-N 444.444 0.960 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844817612 RYDHHZHZFFSDBR-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2)NC(=O)OC(C)(C)C 1846304008 OLJZOHYZUJUINN-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 15639693 OORMEOJAGROFJV-HNNXBMFYSA-N 443.547 0.447 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2)c1 17171058 PFUJKNAWHOAQEI-UHFFFAOYSA-N 432.502 0.908 50 20 ICGD O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110430120 VQVYPFOWZCLDBG-UHFFFAOYSA-N 429.458 0.274 50 20 ICGD CS(=O)(=O)CCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 727942897 HTCGUCBVCNSLMB-UHFFFAOYSA-N 443.485 0.433 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 728176617 JHRJYJGWMKABDW-HNNXBMFYSA-N 431.536 0.050 50 20 ICGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)C1CCN(c2ncccn2)CC1 728983454 IWQRSYHPXOYXAT-UHFFFAOYSA-N 436.476 0.537 50 20 ICGD Cc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 729340266 IDAPBHNCHGPYRW-CYBMUJFWSA-N 438.535 0.450 50 20 ICGD O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)CNC(=O)c1ccco1 730750757 UIBKDSKFLCNCBX-ZDUSSCGKSA-N 447.835 0.715 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 732262189 RODOXYCPGVBCAL-MCFFVMPBSA-N 445.520 0.409 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2cnc3n(c2=O)CCS3)CC1 734821082 GCUNPTWUNSRHQM-UHFFFAOYSA-N 438.510 0.693 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 740853184 XJDPGHLYZYRMIX-UHFFFAOYSA-N 434.902 0.588 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741173317 HLDCYQQZDHGBNC-CYBMUJFWSA-N 438.456 0.820 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 744387061 WBVBKENPOLXCNJ-UHFFFAOYSA-N 435.440 0.506 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 746272804 XQOMHFNLDUSOTL-AWEZNQCLSA-N 440.545 0.126 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cccc2cccnc12 747427130 BGSFSQCIFWDRMF-UHFFFAOYSA-N 441.425 0.251 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1=O 747475885 RUHVSSFACJUGKU-UHFFFAOYSA-N 448.439 0.100 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748059297 XFMHTFRDWZRXML-UHFFFAOYSA-N 428.474 0.581 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 748067734 BWIFYJXPUDFHFG-UHFFFAOYSA-N 425.445 0.343 50 20 ICGD Cc1ccc(OCC(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)cc1 748806670 FQRLPPGQFWQUOO-UHFFFAOYSA-N 445.545 0.673 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(=O)N(C)C 753033761 GKTYBNYKSIULDD-CQSZACIVSA-N 436.472 0.866 50 20 ICGD O=C(COC(=O)CCn1nnc2ccccc2c1=O)NNC(=O)c1cccc(Cl)c1 753837320 ZLJVBTPGQUXHIE-UHFFFAOYSA-N 429.820 0.839 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 757721658 XSFADLXNJLQGFG-UHFFFAOYSA-N 441.448 0.895 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)N1CCN(c2ccccc2)CC1 758689095 RJFAEPFDEVAGMH-INIZCTEOSA-N 425.493 0.561 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NNC(=O)C(=O)Nc2ccccn2)N(C)c2ccccc21 758820368 GSMWKBVUIOROEO-UHFFFAOYSA-N 447.455 0.838 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 763629681 GJOQXQGWNIZRGJ-UHFFFAOYSA-N 435.440 0.765 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763863697 AYGMVRYQCAFJJZ-JTQLQIEISA-N 428.376 0.605 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)c2cccn2C)ccn1 763997243 ZOPHGYWIMSSZAM-UHFFFAOYSA-N 436.428 0.972 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 764234598 YOFDHRRWJXSSMJ-LBPRGKRZSA-N 436.515 0.861 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764281125 ZHIPVIYFMSSNAX-UHFFFAOYSA-N 425.394 0.100 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC 765410000 UPYGZWWDJFWQQV-UHFFFAOYSA-N 430.483 0.832 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)n[nH]1 765596066 QCJJHFWUKCAOOG-UHFFFAOYSA-N 434.412 0.962 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1 766261924 ODFWVYAXTJUOAP-NSHDSACASA-N 430.421 0.248 50 20 ICGD CSC[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635722 DMVFAAMEAXIXLL-HNNXBMFYSA-N 428.580 0.448 50 20 ICGD Cc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cnn1-c1ccccn1 766636097 JLAPTUACAFNKTC-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCc4c[nH]nc43)nc2)CC1 767227721 VPHLIYDNOZLFQZ-HNNXBMFYSA-N 434.526 0.445 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)nc21 770967588 XRTFQXYAMAQPJF-UHFFFAOYSA-N 432.466 0.228 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 773653603 CPTQXZVSNSYROR-BETUJISGSA-N 445.436 0.509 50 20 ICGD COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777833199 VUSVHVZPSSYWMR-UHFFFAOYSA-N 432.296 0.772 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 778531510 HBVHNVOKXLRCLZ-ZDUSSCGKSA-N 438.506 0.903 50 20 ICGD COC(=O)c1cccc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c1 780997886 OKJUSGNQBHUMRD-WBVHZDCISA-N 437.449 0.880 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)nc1 782140282 GPBVPRAETZEPOD-UHFFFAOYSA-N 426.477 0.489 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCS(=O)(=O)C1 783427166 MGFGKIXQBNJJCQ-IBGZPJMESA-N 429.458 0.882 50 20 ICGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003929 FXHKQNFWMZASBD-UHFFFAOYSA-N 430.417 0.706 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784458827 GXOMEJASZZZIBR-CVEARBPZSA-N 438.525 0.880 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccccc3C(N)=O)CC2)cc1 788720785 VGCPFCBRLCPMAN-UHFFFAOYSA-N 443.529 0.551 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 801110699 DWBGRPDTGNXNDD-UHFFFAOYSA-N 442.453 0.702 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)N1 806973098 ZJKWJSCWFDYCOU-UHFFFAOYSA-N 432.776 0.799 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 813034029 VUVKVJAXUKOIRA-UHFFFAOYSA-N 433.446 0.464 50 20 ICGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691981 GVBWVQVFTSYHIO-OAHLLOKOSA-N 443.508 0.347 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)ccc1-n1cnnn1 815751962 WHIBAHQBIVTGON-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccccc1 917905378 JUDCWFCPTRZGOF-UHFFFAOYSA-N 430.490 0.567 50 20 ICGD CNC(=O)CCCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 918236029 VWHWQIFFYSXVRU-UHFFFAOYSA-N 436.472 0.915 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)o1 920248359 CAVRSPSEIZHTBY-UHFFFAOYSA-N 447.517 0.963 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNc3ccn(C)n3)CC2=O)cc1 1320949562 SCFVDOUNAAIFMB-CQSZACIVSA-N 434.522 0.947 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1321685693 KMBBKSKEXCRFQJ-CQSZACIVSA-N 429.539 0.996 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1322961353 HWZBQAKCXMBSKJ-CYBMUJFWSA-N 434.526 0.245 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008274 GZQURFCXZPZDDP-GSDQYQHOSA-N 443.298 0.799 50 20 ICGD COc1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032512 MBXQEZAJRHGLKN-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Cl)C3)no1 1779434308 QYIXLRAPUPPXGU-QIIPPGSGSA-N 430.864 0.761 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1781222365 SMLQKMJKCWQAMF-FRQCXROJSA-N 425.917 0.304 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782212054 QIOCJJOCZXNANE-DYESRHJHSA-N 434.541 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2(O)CCC2)C1 1782777491 AVOITXLYGCZKNR-DYESRHJHSA-N 445.520 0.118 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935301 PSEQWOPSPLZWLJ-HXUWFJFHSA-N 448.549 0.521 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784517021 BFCIIBDNLMPTKI-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1)c1cc(=O)n2[nH]nnc2n1 1786133608 OAJIWIYEMVLPGE-CYBMUJFWSA-N 431.840 0.160 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)nc3)[C@H]2C1 1787607142 KOQAGUVDPSCBEB-JKQORVJESA-N 439.896 0.715 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788611962 CTQWRARKKNYTBM-XUXIUFHCSA-N 449.415 0.481 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C(=O)OC)(C3)C4)[C@H]2C1 1791019433 KSNHNKDWYOEGNK-RAFUFLHNSA-N 428.913 0.563 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21 1791291563 ZIMWRGXMHSNADM-XEZPLFJOSA-N 439.463 0.326 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793687309 AZRZIERRIDSSTG-GRZGAGJTSA-N 431.249 0.920 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794426145 MZXFXGSJHCGLAO-YWVIFJGQSA-N 443.953 0.953 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1796892196 LYOGBZMUZACJHN-WCDSHICPSA-N 440.460 0.879 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797376602 OUYYUEPDFHATSG-JFILPPLUSA-N 436.310 0.964 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797892653 HNLJMPBSOYJWGB-VASXEIHQSA-N 449.580 0.893 50 20 ICGD Cc1cnn([C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1 1798443574 JOIYUCXGTSIQRM-LVQVYYBASA-N 425.493 0.703 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800641718 IFLPVMMFMALFEJ-WYFGTUCQSA-N 445.232 0.855 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)c(O)c1)C2 1800974668 ZSSVFPBBBLKIOF-YGTYGHESSA-N 426.897 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3O1)C2 1801012238 PGGAAUIEHKCWAS-YZIUBNRHSA-N 444.532 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1804430540 KYPBGDJTUZFVKV-VGSWGCGISA-N 441.536 0.816 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1805703474 RJAYQNQSYXCHPG-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)[C@@H](F)Cl 1808310423 RNHDNVPKKHSNLY-ZLKJLUDKSA-N 434.819 0.062 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967379 FLQUGAOOGRDUPU-HXUWFJFHSA-N 427.354 0.696 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)C1 1809979874 DRWIDBCCIMNORM-IRJFHVNHSA-N 428.338 0.762 50 20 ICGD O=C(Cc1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354517 GHXXOUGYZPLBAA-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)no1 1817235574 UESMZJFHHGWGEB-MWLCHTKSSA-N 441.897 0.980 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCCN1 1820818431 RZLDLAFTPXOBHY-DYESRHJHSA-N 425.298 0.538 50 20 ICGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1)C(=O)O 1823003937 OGPINQHFXWWKMF-AZTOOPQRSA-N 437.291 0.808 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824489027 LYFPOPORUNKMPX-LAUBAEHRSA-N 426.322 0.638 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827000386 UWGKIBQUQYFHGI-GOSISDBHSA-N 426.282 0.342 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(=O)N(C)C)CC1 1827681261 STWNBSAKTGWADS-WORIPGKHSA-N 444.536 0.828 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732419 XRZJVIKGDRWIIP-MQPRCNAWSA-N 449.891 0.078 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831651187 RIXCFVOZONPKES-AEGPPILISA-N 431.375 0.982 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831657904 YXXNLHZLRIVAEI-TZMCWYRMSA-N 446.342 0.933 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1832930698 MVISFNLDRZTLSI-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1834738984 BOSLSKVGZPPAAS-QGZVFWFLSA-N 442.633 0.472 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1835833497 KENAJUWIUDXXRS-UHFFFAOYSA-N 440.661 0.742 50 20 ICGD CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836881018 ZDTYDFCYIFZFCS-FQEVSTJZSA-N 448.394 0.933 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837646798 CFAOLLRQOZWWCR-FHLIZLRMSA-N 448.351 0.607 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838108902 UNYMLSMLWZPIIA-BZNIZROVSA-N 432.271 0.624 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838177552 AKFKZBKLKKNLQJ-UZLBHIALSA-N 441.912 0.722 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838579181 DLUCINOLBAOZFI-XLIONFOSSA-N 437.880 0.237 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683535 JEGGBYJKTDJTML-PBHICJAKSA-N 429.315 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839296771 VICWGJUKXWVGLM-HNAYVOBHSA-N 430.860 0.855 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1839964609 XAJICUVWSDYHCU-DHSIGJKJSA-N 448.358 0.483 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033952 VOYQWGAEAAUVGR-IYOUNJFTSA-N 448.358 0.531 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3F)C2)C1 1840182711 QQDPBATXIYGLHS-IBGZPJMESA-N 442.513 0.330 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840340953 NTZITXDNDYBLPS-IMBDGTDHSA-N 441.326 0.910 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841287346 HXAYMGVVMKJOBW-GFCCVEGCSA-N 438.326 0.865 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416855 IHONWBZWOYRJNC-CYGNYLSHSA-N 433.465 0.885 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844025364 YMDWNAQSPRGAQG-UHFFFAOYSA-N 430.273 0.749 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844483380 CMTIDAWWCNLPLO-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(O)c1 1844879687 LVQCPYPZTCAJMR-UHFFFAOYSA-N 425.445 0.530 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846269356 XBZSVJNZPISYJC-CQSZACIVSA-N 431.298 0.097 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nn1-c1ccccc1 24291738 OKCDQUPVKWPAOW-UHFFFAOYSA-N 440.485 0.909 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 25627644 AMJYZBHFHSQDSD-UHFFFAOYSA-N 427.479 0.912 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CSc3nncs3)cc2)CC1 728216091 QCTPKFNOVZHELU-UHFFFAOYSA-N 428.565 0.710 50 20 ICGD CCCOc1c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cccc1OCC 730568846 FEEWFZSCMXEDGD-UHFFFAOYSA-N 435.506 0.909 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3O)CC2=O)c(OC)c1 730778018 IEOVGCZLFGKNMU-CYBMUJFWSA-N 429.429 0.989 50 20 ICGD CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 731497121 XZEZQUUWRCZXTL-UHFFFAOYSA-N 429.319 0.664 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 732261152 BAOUVFVGTREJKB-HLLBOEOZSA-N 446.504 0.667 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 733087743 BMJOWMCEKVVPKD-UHFFFAOYSA-N 441.487 0.542 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)c1cccs1 735585376 FBAFZRROEQDBKD-OAHLLOKOSA-N 445.549 0.414 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 740853450 TVCACXIXPQKTSX-ZDUSSCGKSA-N 443.526 0.144 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1OC 744466033 VSLATDSDLHFUEJ-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccncc3)c2)C[C@@H](C)O1 747322616 FOAAWHCSBALGJM-GASCZTMLSA-N 432.502 0.883 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C(C)C)nc21 748240676 HYMLLJWJCGRLLK-UHFFFAOYSA-N 444.492 0.660 50 20 ICGD CC(C)(C)C(=O)NCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 749420206 JAKOLYNJXRGOFK-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1 753784121 DZQWRMONXZTBBF-CQSZACIVSA-N 446.957 0.473 50 20 ICGD O=C(NCc1ccc2c(c1)CCS2(=O)=O)NNC(=O)c1ccc(-n2cnnn2)cc1 757722779 NUYJDMRQKXDVPB-UHFFFAOYSA-N 427.446 0.136 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1OCCN1CCCC[C@H]1C 758027957 AXTKXEOLIPIYNK-HUUCEWRRSA-N 426.539 0.639 50 20 ICGD CN(NC(=O)CCC(=O)N1CCOCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786952 QPQZXLFHNDAIRI-UHFFFAOYSA-N 427.502 0.261 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1C 758831423 OTAZFMSJYNIXDO-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)ccc1OC(C)C 759549074 GOLILIMAKVAEPE-UHFFFAOYSA-N 431.515 0.259 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 759693739 FEMAOQFOJLHQBB-UHFFFAOYSA-N 425.488 0.593 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCC3CCN(C)CC3)CC2)cc1 760494734 DSZOTPVQBJZXLL-UHFFFAOYSA-N 432.638 0.950 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760801851 WGAAYVGAQOFHMS-UHFFFAOYSA-N 443.489 0.247 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 762908997 WZMUGGHCYATIAU-UHFFFAOYSA-N 447.521 0.200 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cn2)C[C@@H](C)O1 763574569 FBPQGVWZIVUEGK-CHWSQXEVSA-N 446.439 0.058 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)cnc1O 763663242 PBIPLJNVMFRBQA-UHFFFAOYSA-N 428.323 0.980 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(I)c2)n1 763882911 XKUBOSHLJIYWSB-UHFFFAOYSA-N 441.229 0.891 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(CCN2CCCC2)cc1 763922222 UFSHMZZKEHCLSI-UHFFFAOYSA-N 448.487 0.700 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 764012399 PGRWCPNNAXVHNC-UHFFFAOYSA-N 431.836 0.939 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 764227729 QYCNOABYRRUNOL-NSHDSACASA-N 438.437 0.642 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 764431650 DVOPODHHMVBIAT-NSHDSACASA-N 425.747 0.782 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1cc(Br)c[nH]1 764608234 NXVJVGUYWMZFDD-SECBINFHSA-N 440.279 0.777 50 20 ICGD CCn1c(CCC(=O)NNC(=O)c2cc(C)[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 765587415 VZZWJMSSZVLKRE-UHFFFAOYSA-N 447.521 0.732 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(SC(F)F)cc2)n(C)c1=O 765732920 YKMLXXALRGYACZ-UHFFFAOYSA-N 438.416 0.210 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCCN3c3ncccn3)CC2)cc1 766649388 ODOYOOPWMMZITC-HXUWFJFHSA-N 437.548 0.719 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NNC(=O)C(C)(C)O 768245259 UHPJOPZJCQYXOT-CQSZACIVSA-N 425.283 0.896 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 769152444 FSSCKDXRPFEOLM-IRXDYDNUSA-N 428.493 0.900 50 20 ICGD Cn1nc(SCC(=O)NN=CC(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)c(=O)n(C)c1=O 771098577 RLEORQUHUOXWAG-CQSZACIVSA-N 448.505 0.760 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)s1 773233183 LJHUAGHQTXBWHY-UHFFFAOYSA-N 432.549 0.177 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 774007573 CBMRNJYZJGTCGV-JTQLQIEISA-N 440.865 0.692 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNc2ccc(Br)cc2F)n1 783083949 IHUVVJBFHLNMHL-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc(Cl)cc1C(N)=O 793023062 GTKMUUSYGHLURC-UHFFFAOYSA-N 434.836 0.921 50 20 ICGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794598660 LOJDALCUVPSORV-UHFFFAOYSA-N 445.461 0.113 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCCC2)c1 795275424 BHWFPIANVQJDGI-CQSZACIVSA-N 431.536 0.462 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)c1 796053028 PEEAWXHAYCCQKS-UHFFFAOYSA-N 444.350 0.881 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 800055116 GUPDHHSYTSQTDU-GXTWGEPZSA-N 436.494 0.240 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNc3ccc(Cl)nn3)c3ccccc32)N1 806968100 XGEDSBJHJIZSLZ-NWDGAFQWSA-N 430.852 0.609 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806976864 NMXQZISWKLWRIL-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD CNC(=O)NCCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 814255287 GANKXCHTMVUXCV-UHFFFAOYSA-N 425.492 0.629 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc2cccnc12 815593567 QIWBBXSMYSFQRK-UHFFFAOYSA-N 427.442 0.821 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)c1 912643047 LEHZKAYWBATBHM-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 916374352 VPYJAGQJIJHFTA-MAUKXSAKSA-N 443.481 0.825 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 916379361 BZENDANBTSCTHM-UHFFFAOYSA-N 426.495 0.606 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 916646778 NECWXHYIJROIMY-UHFFFAOYSA-N 434.474 0.852 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 920308325 BLODXABZOLMPEH-AWEZNQCLSA-N 430.435 0.379 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 1317990944 YDTXXLWQJZVEOP-LLVKDONJSA-N 433.939 0.836 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1341635013 RRJBEDNCLMUULD-UGSOOPFHSA-N 425.511 0.570 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)CC1 1778026180 NXKYUTISELFWPU-HHXXYDBFSA-N 432.924 0.199 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380588 KBLGZBLRPDFOOJ-XOBRGWDASA-N 437.928 0.868 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1780095041 CIQPRRNOOBQVBR-NRFANRHFSA-N 445.428 0.943 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3)C2)C1 1780609540 XHIXCTXWNWHYCZ-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)no1 1781229400 DAIARWOAIVXODI-MSOLQXFVSA-N 447.319 0.779 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](C)Br)CCO4)C3)(C1)C2 1783445974 FFZDBMVQECOXST-YBPHZDCCSA-N 429.311 0.943 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCc4sccc4C3)C[C@@H]21)[C@@H](O)CCl 1784085653 NBRVHZJGHRYBRT-QAETUUGQSA-N 441.981 0.686 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1784513059 MUZSARTUTXZBMN-VOAKCMCISA-N 437.356 0.656 50 20 ICGD O=C(/C=C/c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786569168 BCUOIYRPGDZOTC-KDEIEAFCSA-N 434.301 0.673 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4[nH]ccc4n3)[C@H]2C1 1788319906 LMOIQGQOZXKILS-DOXZYTNZSA-N 442.520 0.529 50 20 ICGD CCOC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ccn1 1789337894 TUHUTRNXSYLYND-DIECFANBSA-N 439.896 0.451 50 20 ICGD CC(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1789369052 LGOCPYFGGZMTMW-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(O)ccc1F 1790053663 WLEONVBDCJOISN-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791182770 FDXUPWJXJFDNIV-WFGGJUAMSA-N 434.306 0.669 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(O)c1 1791926031 GNEZBWVSWMYKQW-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792923159 YNBNLSRSXZJIRD-HGKCTWBKSA-N 427.505 0.657 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)ccc1[N+](=O)[O-] 1792983423 MIMNGXOXPKKJQD-LMWOUKEDSA-N 427.841 0.406 50 20 ICGD O=C(Cc1ccc(Br)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794155810 YGMDYQBEZMZINC-VAECKANCSA-N 446.729 0.576 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)n1 1794280328 BWLSFNMEHDNYKX-BAESOJJISA-N 443.273 0.934 50 20 ICGD CN(C)c1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1 1794594683 HQIMHSFHBGMODP-MUJYYYPQSA-N 437.504 0.712 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736322 YWZPAWVKIMBMNW-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cn2ccc(Cl)cc2n1 1797105500 RQBCYQUMLIZHMF-YHYOWMERSA-N 427.288 0.791 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2 1797751652 LUNPOAPMHJKDQY-QHBPRCKVSA-N 449.920 0.917 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C)c1 1797752740 CWHRGGOUBUWDHB-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800757798 QNIMUTIYQQPBPY-NZBFACKJSA-N 425.327 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 1800927900 FDIGAYKLZCAXBG-GOYZHWMFSA-N 428.533 0.753 50 20 ICGD COc1ccc([C@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1 1802329199 NLEZPIKBRJQKIR-DLRJPAPCSA-N 432.521 0.740 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361987 JHMIDJFOPIJWNM-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364287 PRCYAXIIYDOZLL-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366319 YIQOLPAQSWWHRP-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)no1 1810372386 FWXDXNGITFHUQL-LESCRADOSA-N 449.895 0.414 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811084027 XNRZLPZDKXEBGZ-RXVVDRJESA-N 445.288 0.493 50 20 ICGD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815695158 LSZIBYNYQKLRRV-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1 1817476815 RCBINDDNCRMGFY-SFHVURJKSA-N 432.249 0.909 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824188164 ZXBWXHWTOSMXDU-SQNIBIBYSA-N 446.928 0.701 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826326860 KEYZXQKGKCRRFF-CFGKVWFZSA-N 442.321 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCC2=O)CC1 1826729448 APXUOEZRFZKEQL-SFHVURJKSA-N 435.569 0.602 50 20 ICGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](F)Cl)CC3)c(=O)nc1O 1827992100 LXLNRFMSLTUZLR-QPUJVOFHSA-N 429.861 0.860 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830358166 RKPSZTBDGAEREY-KRWDZBQOSA-N 429.861 0.653 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719425 DEBOJSUULBZSSA-FXAWDEMLSA-N 444.887 0.651 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724960 KHCSNHHJIFGDDZ-KUHUBIRLSA-N 428.938 0.907 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736639 VTBNZWAFJOXELK-DNVCBOLYSA-N 432.851 0.563 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738777 SJODFSKTTPSXCI-PXNSSMCTSA-N 426.897 0.381 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831654076 IBUWGLRQMNOYMS-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831877379 PVBATQGWNNQIAP-YVEFUNNKSA-N 429.315 0.582 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COC(=O)C(F)(F)F)CC2)CC1)[C@H](O)CCl 1833310740 ZIBQVQYGRMSMSN-CYBMUJFWSA-N 443.850 0.263 50 20 ICGD Cc1onc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c1C 1833605737 CTKOVMINCORUAG-UHFFFAOYSA-N 448.568 0.850 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1)n1cnnn1 1834423506 NFZPOJWGHANNBP-ZDUSSCGKSA-N 442.362 0.591 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)C)CCO2)C1 1834796554 XTBCJAZDWZNWQQ-UYSKRRQASA-N 433.509 0.623 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682383 FWHOQNYSMFVAIW-KBXCAEBGSA-N 445.358 0.508 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835805321 AAMNOURFRSEDFR-YOEHRIQHSA-N 426.949 0.086 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837243600 SXJWWTPPIWZECV-USCZKRCMSA-N 443.335 0.292 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n(C)n1 1837715457 RAOWAPOXUNTMTC-FQEVSTJZSA-N 438.601 0.904 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837852048 MUZUYDFQENTBAL-DYVFJYSZSA-N 436.267 0.544 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C(F)(F)Cl)CC2)CC1 1837922113 MPQGUDVUGVUUKL-UHFFFAOYSA-N 444.671 0.810 50 20 ICGD Cc1cnn(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c1 1837980853 OAQYUDVFKJJWGX-UHFFFAOYSA-N 448.568 0.563 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331826 QBOJFEWJKVVHMY-KDOFPFPSSA-N 442.310 0.421 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)nn1 1838347237 SMJWQXLPWGAESN-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839153592 LOJSFSRTFMWJTI-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202410 FATCFJJKKYWPEW-HUBLWGQQSA-N 443.335 0.247 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1840150512 NBXBNNQRPOCEBI-FOIQADDNSA-N 442.944 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840152031 VATPZOWOQXJJTE-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840152708 QGKUGJKTSWTVKI-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c([N+](=O)[O-])cc1O 1844738091 JAHQWUKRZLHVGL-UHFFFAOYSA-N 449.464 0.499 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412582 OVYJVVCZVRFZCY-VLIAUNLRSA-N 445.944 0.816 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 12702117 ZJUGWHMBBSDAEG-UHFFFAOYSA-N 444.517 0.859 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-] 15525097 PBVDOBRPQSVDJL-UHFFFAOYSA-N 448.457 0.999 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 727349925 CEYDZOKKBYALSF-UHFFFAOYSA-N 441.516 0.906 50 20 ICGD Cc1cc(S(N)(=O)=O)sc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730077120 KLVZXIXHQNJDDQ-UHFFFAOYSA-N 430.533 0.902 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731760948 JQEUTKUSFHSAKZ-UHFFFAOYSA-N 442.538 0.304 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2C1=O 733122821 BFTZGWXZTROLSR-UHFFFAOYSA-N 425.426 0.721 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1cc(Br)ccc1=O 734240615 UXFJCLDJCSRATN-UHFFFAOYSA-N 432.275 0.466 50 20 ICGD CN1CCN([C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c2ccccc2)CC1 734241058 AWXHNSYBLIXSCO-KRWDZBQOSA-N 434.541 0.830 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c2ccccc2c1=O 742034772 VQEAURUINAJMKY-HNNXBMFYSA-N 434.456 0.642 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc(NS(C)(=O)=O)c1OC 742473142 ZJTITBHZYVIIEF-UHFFFAOYSA-N 447.473 0.886 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1ccncc1 747428191 IYPLZXDYLLYBGO-UHFFFAOYSA-N 448.501 0.692 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCC1 748246257 HWMQXZQAWTWQCD-UHFFFAOYSA-N 428.898 0.508 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCc2cnc(N(C)C)n2C)c2ccccc2c1=O 751806070 FSDAEAQSRZNXHA-UHFFFAOYSA-N 426.481 0.921 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 756474241 ABAYLSXPRBJLSV-LBPRGKRZSA-N 435.462 0.636 50 20 ICGD Cc1c(C(=O)NNc2nccc(N3CCOCC3)n2)nnn1-c1cccc([N+](=O)[O-])c1 762854183 WTWXJKHNIOQDFS-UHFFFAOYSA-N 425.409 0.867 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OCCN(C)C)c1 763570986 JXWUGPGMBCJYNA-LJQANCHMSA-N 442.472 0.861 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c2ccccc2O1 763666183 WXKDZLSWSTYTMJ-SFHVURJKSA-N 440.456 0.370 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763977354 OMGAEHDPPFJSPE-UHFFFAOYSA-N 445.819 0.497 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccccc2O)c2ccccc2O1 764279197 YLJSXPYMCJTQFT-KRWDZBQOSA-N 426.429 0.012 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 764371074 WNNCIWXIQMPWOT-UHFFFAOYSA-N 430.417 0.611 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)cc1S(=O)(=O)NC1CC1 764386414 HYLSXDLQGVAOIU-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764394034 MRBURWUQVRBMTK-UHFFFAOYSA-N 437.499 0.815 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(COCCOc2ccccc2)c1 764433443 NMDIEUXOAHFQNV-LJQANCHMSA-N 443.456 0.784 50 20 ICGD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435810 WUMGHMPONVOWPI-OAHLLOKOSA-N 429.477 0.980 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OCc3ccncc3)cc2)n(C)c1=O 764819904 XDZDMYZAYYLDAF-UHFFFAOYSA-N 447.455 0.558 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1sccc1Br 764820159 XVDSXSNWJMXOBT-UHFFFAOYSA-N 439.295 0.798 50 20 ICGD O=C(CCNC(=O)C1CCCCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765735310 JTRQOWRGHRFTLB-UHFFFAOYSA-N 443.548 0.678 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2sccc2-c2ccccc2)n(C)c1=O 766639076 LVRXXVRUWMKICN-UHFFFAOYSA-N 438.469 0.623 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(C(N)=O)nn1 771034579 QUAJMDVYRYBNFU-QMMMGPOBSA-N 432.384 0.404 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 771848894 UYZFOVJRAKCNMX-AWEZNQCLSA-N 425.507 0.893 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 773418378 TYYYBHAPLWAZQW-MPBGBICISA-N 437.497 0.501 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1COC2(CCCC2)O1 773447112 FUTQZNIRDBFEQG-ZDUSSCGKSA-N 425.511 0.918 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NN=c1cc[nH]cc1 773718897 IDJMHYNTOCGNKU-AWEZNQCLSA-N 445.423 0.578 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2ccc3ccccc3c2)n(C)c1=O 775780539 NWRIDJZHAUGNGU-UHFFFAOYSA-N 448.483 0.757 50 20 ICGD CC1C[C@H](C(=O)NNC(=O)Cc2ccccn2)[C@@H](C(=O)NNC(=O)Cc2ccccn2)C1 775837753 OGTLBPFSDUXVDW-ROUUACIJSA-N 438.488 0.219 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 776720785 HKUFNRSGZYLZAN-MRXNPFEDSA-N 444.469 0.464 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cc(F)cc(OC)c2)cc1 785242340 XTFIAWDYPSPGKU-UHFFFAOYSA-N 440.453 0.841 50 20 ICGD COc1cc(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc(OC)c1O 790013996 PHAICRPNVAVDRV-UHFFFAOYSA-N 437.312 0.778 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 792007691 ZXMUGKRGJUUXMV-MRXNPFEDSA-N 428.323 0.988 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCCBr)cc1)[C@H]1CCS(=O)(=O)C1 799520309 SVDFWOSALNXUNS-JTQLQIEISA-N 441.325 0.205 50 20 ICGD COc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1C 802348315 AQDSCISTWXMHDC-CQSZACIVSA-N 429.433 0.850 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)n1 810387541 ZZYQKWFIFDHUTB-UHFFFAOYSA-N 425.792 0.898 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 811684634 RYRGODHRTZQAKU-UHFFFAOYSA-N 431.470 0.840 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1C(F)(F)F 815691097 FGNRSXXMTKFPCR-VIFPVBQESA-N 426.355 0.654 50 20 ICGD O=C(NNc1cccc(Cl)n1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 815726395 BNCDKVYUMCGLBP-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD Cn1cnnc1Sc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 816882313 BPPSCPKEPWSKOT-LLVKDONJSA-N 443.449 0.490 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 834653527 DIOGXONFOFCPON-RPLLJCPNSA-N 449.467 0.375 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 913580805 QVOYJMCSGAACAG-UHFFFAOYSA-N 443.441 0.278 50 20 ICGD Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n[nH]1 916110329 WSHTWPYOJHDEAB-UHFFFAOYSA-N 445.505 0.752 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccc(OCC(N)=O)c2)cc1 916254546 GZZLZFKEIVAJCB-UHFFFAOYSA-N 449.489 0.333 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)c3ccccc3Cl)CC2)cn1 1318734781 OXQOKRCVZUYECO-UHFFFAOYSA-N 440.913 0.871 50 20 ICGD O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 1322920158 QAJVGLZPPSWKRC-QGZVFWFLSA-N 427.509 0.223 50 20 ICGD CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1323217045 GHUYROQPSOUOEQ-UHFFFAOYSA-N 432.506 0.826 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1779383742 VVOCHJNUQZXWIR-BDJLRTHQSA-N 425.382 0.788 50 20 ICGD COc1ccsc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779846659 XAMWGQXYAAJBLW-HXUWFJFHSA-N 445.501 0.513 50 20 ICGD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780033737 MCXVUCLLOVPQAQ-KKSFZXQISA-N 445.907 0.614 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C(F)F 1780304747 KLRBDGNFWUVVSS-HXUWFJFHSA-N 448.235 0.024 50 20 ICGD C[C@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1781241674 NTMXVPFXVDQWBI-NJSLBKSFSA-N 446.932 0.083 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1781338841 NIUKQVKOAVMMNE-JCGVRSQUSA-N 437.896 0.626 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782672704 HWXYJWLESCTJMQ-MRXNPFEDSA-N 429.271 0.176 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1783533314 UWZDUNFLEOMCIY-GNSGDSHASA-N 428.327 0.608 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783933603 RRRANVSYOHGXQE-QFIPXVFZSA-N 437.585 0.310 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784095322 AQBQPDLTFAQCTQ-FJIDUMEYSA-N 437.924 0.581 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1785113174 RJQPVYPOJRJMMB-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786983962 HXXIMCZIMRJACR-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)cn3)[C@H]2C1 1787035400 DHMLTMZQOCUTKC-WBAXXEDZSA-N 435.500 0.116 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1c[nH]c2ncccc12 1787876502 OYLUOGDNFJWZQC-YSSFQJQWSA-N 448.288 0.150 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640083 WIYYFNJZPRUJCQ-QUSNUVHPSA-N 432.901 0.478 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3Cl)[C@H]2C1 1789083470 ISHOJXDGSRYWFC-QEJZJMRPSA-N 440.932 0.040 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925556 GNKSNVFJHSSSOJ-QMVSFRDZSA-N 432.294 0.584 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1790960501 MDTCBJJDOLZDHE-RBZJEDDUSA-N 448.358 0.291 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCc2ccccc21 1791385772 OMHMEEHYAQBHFO-AWDZXFJFSA-N 448.328 0.690 50 20 ICGD CC(C)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(=O)OC(C)(C)C 1792594909 LZNTYHPVVLUKCH-JYYAWHABSA-N 447.960 0.821 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1793446448 CQYVDEVAQWFBHI-UYYXNEDZSA-N 430.958 0.786 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 1793515461 BQOGGRCEAFDBQO-SNOXVSQISA-N 427.461 0.925 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C 1795339972 QCJJDKLQEXPYNL-HLPPOEQASA-N 433.933 0.697 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1799271009 GVEZYRHFMZJJCY-IMPMIVQMSA-N 425.917 0.064 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1800056163 WCCMZFZALJNNFM-XGUBFFRZSA-N 433.933 0.766 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332156 BMDXVSCUPLDPIU-BJAFJBCVSA-N 446.454 0.973 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802654746 ORSGXIKTYLLOAU-NQIIRXRSSA-N 425.294 0.506 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1804491450 NUUPOYPSKGYPCB-DYESRHJHSA-N 449.276 0.015 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804499817 FOASPPCGCNMJTQ-SIKLNZKXSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncnc1 1805786554 GGCKPRIXLNKFGH-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365254 MKLIQDLTVNFESB-DZFGPLHGSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366222 XSSDNMBEFYBFGA-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371696 YJSRFFJJJJIGHO-AUSIDOKSSA-N 444.300 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCCC2)n[nH]1 1814484713 NKCDACHNMOPAPA-KRWDZBQOSA-N 440.508 0.810 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815235061 DIGBGIBRAQBUEN-QGZVFWFLSA-N 441.297 0.310 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815817716 UJDNQWFCXDQVDR-CHWSQXEVSA-N 425.833 0.806 50 20 ICGD Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cccc1=O 1816314863 FYQKAMNYPKTRNY-QGZVFWFLSA-N 449.276 0.408 50 20 ICGD Cn1cc(F)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817848236 ZKFZBDCNNNCMHT-CQSZACIVSA-N 442.281 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)CC1 1823843236 LQCHKCNNSAFVSY-ROUUACIJSA-N 435.569 0.505 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364461 LQJUOZPBPAAATJ-YWZLYKJASA-N 439.944 0.998 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(C)c1O 1830738640 RIWIRVMLFBJAHM-JXFKEZNVSA-N 426.897 0.679 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831477746 CVVRMWHZHPOMDM-LRDDRELGSA-N 438.294 0.048 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1832207619 IGDRBLPCYZCGID-WMZOPIPTSA-N 433.557 0.832 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n[nH]1 1833308213 LKNISVVBLIETMA-KRWDZBQOSA-N 425.917 0.397 50 20 ICGD CCn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cc1C 1833311704 AQWWPEOMEXMGLF-GOSISDBHSA-N 425.961 0.996 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833864446 GTOPSFUVMBDYEE-BLLLJJGKSA-N 449.277 0.189 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C1(O)CCC1 1834820054 LMKRTIMVWAFKJW-RHSMWYFYSA-N 433.343 0.779 50 20 ICGD CC1=C(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CCO1 1834921368 KVANMCJIMYPKNF-UHFFFAOYSA-N 435.569 0.625 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628665 FGQGFSQLGWZEGR-PXAZEXFGSA-N 445.314 0.809 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835820094 AAVCYZCXELEKBG-PBHICJAKSA-N 430.977 0.463 50 20 ICGD Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)s1 1836716623 GKZHBDVAIRCUIZ-OAHLLOKOSA-N 430.958 0.987 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717809 ORDMMFMVKKGMAH-FXAWDEMLSA-N 438.601 0.827 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)c1 1838904681 AJLKRBLMPPHOGE-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705464 IDOIRSAGPBGGJH-JKIFEVAISA-N 444.330 0.327 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840030975 BOYYVNRAUNATNX-MEDUHNTESA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840034220 FBCGFHULLIBFJE-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840150322 IKXVWGUTJLPJND-UZLBHIALSA-N 445.944 0.099 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1840151288 ZUCNQHREOOICPF-AUUYWEPGSA-N 429.876 0.853 50 20 ICGD C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840167666 FNMCGAQVBVSNCJ-PCCDRTMGSA-N 443.504 0.380 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354712 QLJPFVMQMMYBLA-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD CC(C)n1nc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1C(=O)O 1842261228 LYPPXVJJZAZWBT-UHFFFAOYSA-N 434.497 0.352 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845473172 LEPUYGMGSHOQRZ-UHFFFAOYSA-N 440.416 0.430 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1 1847396158 MKMZPLNYZMTHRE-GBESFXJTSA-N 439.472 0.243 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@@H]1O 1847597800 OJRNFJGBNCEINC-CMOCDZPBSA-N 434.301 0.478 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)cc1 9890003 DWWRRXUGUMZQDB-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c1 731477171 SMBOVQUIBOCHEM-UHFFFAOYSA-N 439.266 0.987 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1 732264937 JNGDTMIQRDPUHO-UHFFFAOYSA-N 429.271 0.008 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cnn(-c2ccccc2)c1 733122867 DZENTEXTUCXOAX-UHFFFAOYSA-N 426.414 0.025 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 742576456 BZMVZDNJSKCFDB-CABCVRRESA-N 440.522 0.812 50 20 ICGD COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745867341 QDBNRLZHNIMRSK-CQSZACIVSA-N 442.538 0.855 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 745905861 NZDGWOMWBYHEFD-GFCCVEGCSA-N 431.409 0.151 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC1(O)CCCC1 746100306 DHEXKCPOBHEBQZ-UHFFFAOYSA-N 439.534 0.483 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)nc1 753669082 JKDMYDVRZAQDGU-ZDUSSCGKSA-N 448.571 0.020 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 754833056 RIXIVZLKYRCCPK-MRXNPFEDSA-N 445.476 0.600 50 20 ICGD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756238210 CTSWFWUREBJYBO-GFCCVEGCSA-N 425.511 0.758 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1ccn(CC(=O)N2CCOCC2)n1 756655176 NGHQAMHJNZEANO-UHFFFAOYSA-N 439.432 0.863 50 20 ICGD O=C(NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1)C(=O)Nc1ccccn1 758838217 FXJVIMXEHKUCEX-KRWDZBQOSA-N 432.440 0.604 50 20 ICGD COc1cc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccc1OC(C)C 761402821 PSONILRNBGGUDD-UHFFFAOYSA-N 434.474 0.741 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 763917337 UWGPGYQUGQJZFZ-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 764136553 SCDDNPLMMJVJAN-UHFFFAOYSA-N 435.440 0.629 50 20 ICGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764164430 PICOBUDJISOMJI-GOSISDBHSA-N 440.456 0.877 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 764167723 LWTKRGQZSDSDPT-MRXNPFEDSA-N 443.847 0.959 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C 764396789 BXSNAJFMBFJJOI-QMMMGPOBSA-N 437.678 0.943 50 20 ICGD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764431540 CZMMRVNARYYDMW-HNNXBMFYSA-N 429.477 0.980 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)ccc1OC(C)C 765246184 ZFJUKHQXXOIRJR-UHFFFAOYSA-N 427.439 0.877 50 20 ICGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766164425 OHSBCZHQANUUNS-HNNXBMFYSA-N 442.969 0.430 50 20 ICGD CCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664862 WNFWQZVQCMSNPO-UHFFFAOYSA-N 430.958 0.430 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 767944250 XJTVAQHKXQLRCU-RTBURBONSA-N 445.568 0.791 50 20 ICGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771609245 XVBXDMBZXAMEFB-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2cccc3c2OCO3)CC1 771734515 FYZNXMNTIYVOMD-UHFFFAOYSA-N 447.517 0.822 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 772014404 YILRQEVTLVGLCT-JLJPHGGASA-N 437.468 0.455 50 20 ICGD O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772201304 WHAPYPHAERUDOO-UHFFFAOYSA-N 435.843 0.742 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782894602 QHACMMLSGJVGRA-UHFFFAOYSA-N 436.472 0.960 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)nc1 783263201 IHDRHZBREXXRLP-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD Cn1c(CC(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)nc2ccccc21 784293188 BYQVJPGRZCWRHM-HZPDHXFCSA-N 425.489 0.704 50 20 ICGD COCCOCc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785066452 AUDLNCOZHDFSPB-UHFFFAOYSA-N 425.445 0.826 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cn1 785067043 GTUVWISQCDQQBA-UHFFFAOYSA-N 441.448 0.158 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 785651281 HGTCKIAPRPLJLC-ROUUACIJSA-N 441.488 0.195 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3ccc(-n4ccnc4)nn3)C2=O)cc1 788180821 HGKSSRUDWNIMMB-FQEVSTJZSA-N 436.432 0.581 50 20 ICGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)COc2ccc(Br)cc2)c(=O)c1 790466447 NWXMBSPGSGNTTR-GOSISDBHSA-N 438.278 0.897 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3ccc(OC)c(OC)c3)ccc2[nH]1 792351681 WRXFHQHBJQTVTG-UHFFFAOYSA-N 439.428 0.944 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc(CC#N)c2)cc1 794577896 BECSRISCXVHSRK-UHFFFAOYSA-N 436.515 0.691 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCCC1 800520984 LMWMVVXMDNVIJQ-NSHDSACASA-N 435.549 0.118 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 802067903 QKRCBXLHONNLMT-GFCCVEGCSA-N 432.524 0.305 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 807457360 ZIIUTBMHTJSQGY-UHFFFAOYSA-N 431.409 0.040 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 807566353 VKUNWJPJYUZXBA-YUMQZZPRSA-N 434.486 0.772 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 812932864 JACBWLPSFMMVPY-UHFFFAOYSA-N 448.505 0.691 50 20 ICGD Cn1nncc1NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 816770231 ORRWVABKSDDXCV-UHFFFAOYSA-N 428.434 0.955 50 20 ICGD C[C@H]1NC(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)=NN(c2ccccc2)C1=O 817055171 PHNUDMYQSVLTNP-CYBMUJFWSA-N 430.490 0.718 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)c3nnc(O)c4ccccc34)cc2S1(=O)=O 917515515 MPWBDTDVYQVAOM-UHFFFAOYSA-N 441.425 0.575 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OCCO 918678741 OIXKUQAHHLCKKQ-UHFFFAOYSA-N 437.474 0.391 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)N[C@H]1CCS(=O)(=O)C1 919888256 BJPUSQBGANHDQG-AWEZNQCLSA-N 438.893 0.681 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)CN3CCCC3=O)cc(C3CC3)nc21 920435086 BUEPWCGNFFJRHX-UHFFFAOYSA-N 428.449 0.168 50 20 ICGD Cc1nccn1CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921055024 GGGMGDRTSZENNZ-UHFFFAOYSA-N 435.506 0.454 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2cn(C3CCOCC3)nn2)CC1 1117670393 XKBQGMZTWGRYFG-UHFFFAOYSA-N 437.501 0.973 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1322961354 HWZBQAKCXMBSKJ-ZDUSSCGKSA-N 434.526 0.245 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778519519 ZUVFPIQHFBEGRB-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3sccc3Cl)C2)C1 1779785528 ZMJSSCQNADEBHL-LJQANCHMSA-N 434.710 0.839 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnn(C)c1)C2 1782211886 DLGBOEMMHPLNTF-XMSQKQJNSA-N 448.568 0.240 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@]2(F)Cl)C1 1782296061 QOBSVFDAYNSQEI-TWKYDXJASA-N 432.924 0.798 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1786404459 RIUGFPZWSYDTKF-JYJNAYRXSA-N 432.359 0.473 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982747 AIISKVDLXCAPKY-WDSOQIARSA-N 432.301 0.632 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1787506641 JZUUBODZZFSIBA-QECDCCOMSA-N 425.489 0.514 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(F)c[nH]3)[C@H]2C1 1791114222 KVFRFFMGUNUDOC-IVXIXMAJSA-N 444.467 0.881 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H](O)c1ccccc1Cl 1791470740 JOKFATSHBPFLKS-MUMJOVGASA-N 431.316 0.953 50 20 ICGD Cc1csc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1794086934 RKAZMWPMHQUMDM-VPTLXERWSA-N 436.578 0.952 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C(F)(F)F 1794276025 KZKDVBTUEMWHIC-LFSVMHDDSA-N 438.834 0.896 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1O 1796185915 ZLCFNWZJWCNNDM-REPLKXPHSA-N 438.289 0.575 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164769 YLIJGFYKFSACTA-GUIRCDHDSA-N 432.315 0.449 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCn1cccc1)C2 1801011632 SWQAODSMLNQOAR-OPMZPASUSA-N 433.553 0.621 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340417 DELVAABVXAKDNH-GRDNDAEWSA-N 440.342 0.465 50 20 ICGD O=C(c1cnc(Cl)nc1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809972212 DXXSDSNKGJZTAX-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1810541876 SZKSAHKKMMAXHI-MAUKXSAKSA-N 427.599 0.984 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070515 JQWDIWNTFAMPOZ-FPDPHYFHSA-N 446.552 0.327 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(Cl)Cl 1813077192 ZZAOTAQEBPSCRE-GDBMZVCRSA-N 436.104 0.885 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470453 RIOSJHLAKQYWIB-RBUKOAKNSA-N 439.325 0.880 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)c1cccc(B(O)O)c1 1817479339 KYDKOZXRBXXJRI-QGZVFWFLSA-N 426.282 0.701 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1)[C@@H](O)N1CCOCC1 1819448438 QXDHOFBCGDPNDA-DETPVDSQSA-N 448.293 0.743 50 20 ICGD CC(C)N(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801662 OXUSFZMHLCAMGR-LBPRGKRZSA-N 445.549 0.708 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820697799 XGFKRRPRRYNWEH-CQSZACIVSA-N 437.290 0.461 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnn1 1821721719 WEDHSIBWHAEBID-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004814 WEFYEZASEJHNRR-HQJQHLMTSA-N 433.307 0.586 50 20 ICGD Cn1cncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826037806 IKCHWSDAHOOKPA-GOSISDBHSA-N 439.520 0.966 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826146145 NKRIKKNNZODUAP-JGVFFNPUSA-N 442.847 0.987 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1827053535 SXDZJUARZHMWQR-IBGZPJMESA-N 442.321 0.553 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)C(=O)O 1828078465 YYUDUSPURYZEGH-CHOZFAJLSA-N 429.263 0.080 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c1 1830538812 QYPMLFGYKJGCJT-MAUKXSAKSA-N 443.342 0.679 50 20 ICGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544377 WWBJKNMVJBWNFS-CXAGYDPISA-N 434.331 0.000 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719890 NSAXKRFEKJEIAZ-UQASEVPWSA-N 440.924 0.855 50 20 ICGD COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724725 AZQPXKAZEQGWHM-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830739081 YAWAYWYJHGWPSH-XLIONFOSSA-N 439.896 0.315 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832066434 FWKQAIKHZJDZTI-RLFYNMQTSA-N 432.359 0.711 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834798311 GJEDJTPNILKJAQ-UHFFFAOYSA-N 449.320 0.065 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1835837842 PMFOIDBZQWOWQZ-MRXNPFEDSA-N 438.645 0.936 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837023013 ZFKBUOUEDWUWKR-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837715085 UYZLILAYCMHKBR-IBGZPJMESA-N 440.573 0.350 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806123 XPICPZNWFFWDRR-BZNIZROVSA-N 432.271 0.020 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200503 LYWCZWGLKWNKBL-XJKCOSOUSA-N 448.293 0.061 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203025 XEKAHSRNXUGVRO-OPQQBVKSSA-N 446.111 0.917 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840037371 ZADVQMHSOBDFNR-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840153521 RHWJFDUEGOWLRD-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498730 XTZWXIYCVKIQQY-FZKQIMNGSA-N 442.310 0.570 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012072 AEKXQYIYGLONPW-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnn(C)c1C(F)(F)F 1848304089 AICRZGLAHMYNNA-STQMWFEESA-N 430.431 0.627 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1OCC(=O)N(C)C 725871462 LHQVPJOFMOYPRL-OAHLLOKOSA-N 445.476 0.958 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)NC2(CCCC2)C1=O 728210896 AAUNMOZLILGCND-GFCCVEGCSA-N 435.506 0.824 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 728850121 IWUYJSXCHANICP-OAHLLOKOSA-N 447.473 0.781 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)c2ccccc2c1=O 729168585 CKYZHWKWQGDNOZ-UHFFFAOYSA-N 435.444 0.455 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275933 SKIYFDGSIBQUTN-MFKMUULPSA-N 446.913 0.038 50 20 ICGD Cc1nc(-c2ncccn2)nc(O)c1CC(=O)OCC(=O)NNC(=O)c1cccs1 729709117 HGZAMEIGQZKRHQ-UHFFFAOYSA-N 428.430 0.556 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2nnnn2-c2ccccc2)nc1 730672664 JJUBOTVIYMGOTN-UHFFFAOYSA-N 431.482 0.570 50 20 ICGD CC(CCCOc1ccccc1C(N)=O)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 731926261 SXBVXCUZFMQHKJ-UHFFFAOYSA-N 448.505 0.021 50 20 ICGD O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1 732110537 DHULPKOLLPVFCR-SOUVJXGZSA-N 448.505 0.684 50 20 ICGD CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 745848839 JLQGBXCQXINCMO-UHFFFAOYSA-N 442.442 0.566 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)C(=O)N1CCCC1 748246735 OFIMFLMGLFBEEL-CQSZACIVSA-N 437.478 0.216 50 20 ICGD CC[C@H](C)NC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 749759026 VZXRKNQVBNKVIW-AWEZNQCLSA-N 428.580 0.934 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 751058997 PWRADSBNECFJOS-UHFFFAOYSA-N 431.449 0.975 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(C)o1 754743160 AJAJCVHVNIRIKA-UHFFFAOYSA-N 444.491 0.599 50 20 ICGD CCc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O 756525552 QCOZCSFMCDQFAJ-UHFFFAOYSA-N 440.503 0.766 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)c2ccccc2c1=O 756796947 LAPALJKLEJWFDP-QFIPXVFZSA-N 435.440 0.102 50 20 ICGD CC(C)n1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 756827802 YRXFRMUARFCFMU-UHFFFAOYSA-N 436.494 0.951 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 757871223 DXVBQHAHUVYZPU-CJNGLKHVSA-N 449.489 0.852 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N(C)C)cc1OC 758664820 JJQQGDUNPMOMDT-AWEZNQCLSA-N 430.465 0.671 50 20 ICGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 760264126 IYAOYHMIYJDLCN-HNNXBMFYSA-N 425.511 0.280 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(C)(=O)=O 763573029 POMAVIJEAXURMW-INIZCTEOSA-N 448.457 0.008 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1C 763664853 KGNNFJQZPLOWIN-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1OC 763902612 VCDCAZVSMXCVLC-UHFFFAOYSA-N 428.401 0.939 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 763910980 JBKACCAKODSWBH-UHFFFAOYSA-N 439.432 0.859 50 20 ICGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)S(N)(=O)=O 763975621 KOWPDCZKSDJMPE-SECBINFHSA-N 428.467 0.108 50 20 ICGD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002866 UHRXRVLPVKITDD-SNVBAGLBSA-N 432.296 0.587 50 20 ICGD O=C(CCC1CCCCC1)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 764214990 JNEJGGZMLSIXKI-UHFFFAOYSA-N 434.497 0.188 50 20 ICGD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227360 NQVMYMOYVDKEBG-SECBINFHSA-N 425.492 0.142 50 20 ICGD CN(C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1)C1CCCCC1 764427823 BZFUWNJXMMYSHX-QGZVFWFLSA-N 432.477 0.593 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 764609167 SRKKYURFDVZDFK-UHFFFAOYSA-N 432.462 0.944 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCCN1CCN(c2ncccn2)CC1 765640654 KCHPDCJUMXTIRD-UHFFFAOYSA-N 433.538 0.719 50 20 ICGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765754056 HVLXGXFWWWKAAL-QGZVFWFLSA-N 438.960 0.832 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767853224 OIDJIGJXPGLEQU-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 778445435 NGOXTJKFUMMVMP-AWEZNQCLSA-N 440.522 0.759 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)CNC(=O)c1cccnc1 779229652 FIYAKMYPAGDECA-UHFFFAOYSA-N 449.414 0.218 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 780971620 PLLDMPCGBMPUJR-UHFFFAOYSA-N 439.513 0.939 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cc(C)ncn3)c2)CC1 783945225 VMHGBOXIVNHXDY-UHFFFAOYSA-N 447.521 0.193 50 20 ICGD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004185 KCFUKOGZKJISFG-UHFFFAOYSA-N 438.400 0.686 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 784005310 VBPZHAOQCBNIHW-UHFFFAOYSA-N 443.485 0.386 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NC)c2ccccc2c1=O 784663061 DZYKAWBXGDOXMH-UHFFFAOYSA-N 438.510 0.080 50 20 ICGD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NNc1nccn(C)c1=O 785085955 HEFNNEOTHMKYPD-UHFFFAOYSA-N 444.492 0.876 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 786717215 OTUFNMLJFXEMLY-UHFFFAOYSA-N 437.478 0.864 50 20 ICGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 788501294 UYXFAJLNDYWYNM-BBRMVZONSA-N 425.488 0.216 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 791625836 SLXOCQGTIOIMNY-FQEVSTJZSA-N 441.536 0.567 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 796991648 FZQJQOQSFARZJN-INIZCTEOSA-N 429.385 0.408 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796992980 ZAGZQWSAOUCBMV-INIZCTEOSA-N 444.375 0.708 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 799101546 OZSNLDQPFBVUJP-GPMSIDNRSA-N 432.521 0.947 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCC(S(=O)(=O)N3CCCC3)CC2)n1 800482724 YALZOANEBIZKGZ-UHFFFAOYSA-N 429.568 0.031 50 20 ICGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3cccc(C(F)(F)F)c32)c(=O)n(C)c1=O 800809486 ACVLEQFMUDUDAL-UHFFFAOYSA-N 442.379 0.063 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)ccc1F 806977562 OULRZSMPPUQIRY-UHFFFAOYSA-N 444.828 0.493 50 20 ICGD CN(C)c1c(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(=O)n(C)c(=O)n1C 807951066 GEDSFASCILNNNE-UHFFFAOYSA-N 448.698 0.851 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 812447139 PBXRZXIPEGNBCO-UHFFFAOYSA-N 442.472 0.822 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C(=O)C1=O 916144618 GRXBQEKFSCBNEV-UHFFFAOYSA-N 434.493 0.572 50 20 ICGD CC(C)(C)C(=O)NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 917180365 WGAJKJQYWVQONL-UHFFFAOYSA-N 436.490 0.768 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)cc1[C@@]1(C)NC(=O)NC1=O 917719901 CTADWGDAOLGAPV-GOSISDBHSA-N 439.494 0.575 50 20 ICGD COCCCNC(=O)NNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 920862494 LIZSAZCROHGXCV-CQSZACIVSA-N 425.511 0.507 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1782171095 OCTOYTLZDDVNOE-ZXYWRSMDSA-N 427.885 0.467 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782279164 AOUYLVVGYPULPC-LRDDRELGSA-N 431.262 0.800 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1783936956 MBKYPTKMMSIFME-NRFANRHFSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981905 OXFPUDUHERYFSY-GKCIPKSASA-N 444.243 0.552 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432640 WGHBXIRYCCFMQW-BQUFFADESA-N 443.298 0.655 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccn1 1788908828 PQCAIWJJGSLJCI-ULQDDVLXSA-N 433.509 0.057 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccoc4C3)C[C@@H]21 1791287926 DQGPAIPHXHPFMA-LXZJYRNTSA-N 446.548 0.737 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791293200 NIZUQLIFJNENGM-FHWLQOOXSA-N 448.568 0.243 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792983633 BYZAWNCMNWCGHU-AHDPXTMNSA-N 433.933 0.337 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115148 AZCKJBNCLPZQFT-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793502138 XJNNMLGRVZQJMO-NEBZKDRISA-N 441.916 0.745 50 20 ICGD CCc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1C 1799007324 RXFDOWPKJYAZNM-YOWGUQMCSA-N 425.493 0.547 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800392288 RISQUSYSEDVQKC-ZUSNOYAUSA-N 427.350 0.390 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1804123840 PQOZGFJLSLUFLE-MPGHIAIKSA-N 435.912 0.949 50 20 ICGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1807027988 FZWRCAFMYIQZKK-AAEUAGOBSA-N 439.236 0.616 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374488 ZSBBXLYSMYYMSC-UWJYYQICSA-N 433.277 0.047 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810793870 OCSVGKWXOBOTAM-VBNZEHGJSA-N 433.852 0.489 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074883 XGVRISVFGUCLHX-GCJKJVERSA-N 432.569 0.801 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1=COCCC1 1813114817 SAXYPNRARWKKEP-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cnccn2)n[nH]1 1814997159 AIEIBVCWTPSOTB-INIZCTEOSA-N 428.497 0.808 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)C(F)F)CC2)c1cccc(B(O)O)c1 1815350154 GRIIPPWMXKZNIL-SNVBAGLBSA-N 445.203 0.949 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819520115 WHNXPSBJCCQIOO-XETJZTBLSA-N 443.595 0.587 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc[n+]([O-])cc3)sc2C1 1821054713 XDQRPNRIGQOOKD-ZDUSSCGKSA-N 432.506 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2nc[nH]n2)[nH]n1 1822416699 LECOBWSLXGLDQL-CYBMUJFWSA-N 449.541 0.685 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)Br)CC2)C(=O)N1 1824973554 UUXXDWHBBVTXEH-DOMZBBRYSA-N 447.305 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825079350 YDOWNVIYZLNRLU-ZNMIVQPWSA-N 428.917 0.458 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825928541 OZOADNNYSFXHAQ-IAQYHMDHSA-N 429.307 0.664 50 20 ICGD Cn1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)n1 1828925295 IZZFOOHLTMJYRF-LJQANCHMSA-N 439.520 0.966 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830464770 SRYOMGWRZHPKKC-PXNSSMCTSA-N 441.311 0.748 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725039 CYLLHHWQBUMILB-XLIONFOSSA-N 425.913 0.379 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735681 LONWZZWGOZRMIJ-LAUBAEHRSA-N 438.908 0.220 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830738821 UVMWOVFUAPRNFN-LAUBAEHRSA-N 440.924 0.602 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833861574 ZSCYIWZADDCIIP-DNVCBOLYSA-N 428.917 0.906 50 20 ICGD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1834405924 OGVQLVSQQMYMFN-LAQIPUCWSA-N 429.945 0.931 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565384 VAGIJEQILAAXLG-FRBZJCMESA-N 427.885 0.409 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151870 GNPKDFZBFSRXFL-VUCTXSBTSA-N 439.340 0.126 50 20 ICGD COc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc(F)c1F 1839382147 FKJZUVKRFOZGCY-AUUYWEPGSA-N 448.850 0.643 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840032535 BRPCQDXZHMAZFD-HZMBPMFUSA-N 443.241 0.336 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408220 MPJOMTCDERQPAI-BEFAXECRSA-N 426.901 0.719 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)CC2=O)c1 1841349012 ZDSCJUSYAJCRJS-WMLDXEAASA-N 435.908 0.851 50 20 ICGD COc1ccc2c(CC(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c[nH]c2c1 1841382822 DCNBSUMTOWJBFI-UHFFFAOYSA-N 447.300 0.916 50 20 ICGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)CCBr)C1 1842637410 MSFCVIZTVIDQQE-LLVKDONJSA-N 439.310 0.981 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)cnc2c1 1843787944 GTFWOLPTXKJCNB-UHFFFAOYSA-N 440.504 0.193 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2)NC(=O)NCc1ccccc1 1845038622 AADRSQWVQIZCND-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1846386042 XHKZVYPTBDXLAJ-GOSISDBHSA-N 426.521 0.329 50 20 ICGD CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728334414 HDHWMNRNEZLBCT-QGZVFWFLSA-N 429.385 0.495 50 20 ICGD O=C(COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 728338512 LALCLHIVYGPTRE-INIZCTEOSA-N 449.347 0.643 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 730740525 HNUQLOSKOVTZPL-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD COC(=O)c1ccc(OCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 731284207 SYDOLZOUKJMHBZ-UHFFFAOYSA-N 439.428 0.743 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCn2c(S)nc3ccccc3c2=O)C[C@@H](C)O1 732261918 PBTVVGHTLQENJF-ZIAGYGMSSA-N 433.534 0.722 50 20 ICGD O=C(COC(=O)Cc1csc(-c2nc[nH]n2)n1)NNC(=O)[C@H]1COc2ccccc2O1 732341954 KEIZSUZMLRAMBZ-CYBMUJFWSA-N 444.429 0.001 50 20 ICGD COc1ccc(C(=O)NNc2ccc(Cl)nn2)cc1S(=O)(=O)N1CCOCC1 735687184 XJLDEYMERJQTMP-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1 746094544 ZETVYLNSHGQZOA-UHFFFAOYSA-N 436.494 0.218 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1F 747276562 QYZMONOWBJRDPM-UHFFFAOYSA-N 447.803 0.884 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 747488747 HSGHWBILIMZLTQ-QGZVFWFLSA-N 447.517 0.612 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747901396 VJWDZNCTDZGMHX-KXBFYZLASA-N 430.530 0.699 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 751204109 CYXUIVVYJRKPOI-UHFFFAOYSA-N 449.217 0.216 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@H](C)O)cc1 754554123 UUYTTYDFLJSLTQ-UGSOOPFHSA-N 430.486 0.965 50 20 ICGD COC(=O)CCSCc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756393649 PBFFLXYCYUTNKT-LLVKDONJSA-N 432.524 0.573 50 20 ICGD C[C@@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)[C@H]1CN(Cc2ccccc2)CCO1 758803258 JHNWBSNPBXKXEU-NVXWUHKLSA-N 426.477 0.640 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNc3nccc(N4CCOCC4)n3)cc2S1(=O)=O 762856308 KEHAYSNXIXFQJK-UHFFFAOYSA-N 446.489 0.623 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1-n1nnnc1C 763978027 CWDNJWBNGSXTDO-UHFFFAOYSA-N 445.823 0.738 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 763998457 JGOWEGDWWDRPIR-UHFFFAOYSA-N 433.490 0.599 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c2ccccc2O1 764118237 ZDIOZBIDQDSTBW-OAHLLOKOSA-N 433.804 0.774 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c(OC)c(OC)c1 764132234 SXSTVWRWLFWUQE-UHFFFAOYSA-N 447.400 0.604 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 764228034 UDAGNZWOOWXEFL-CYBMUJFWSA-N 434.474 0.289 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 764421396 NRVNIBZYGKBIJG-UHFFFAOYSA-N 433.261 0.647 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 764512352 GLXDVRKIEKOLKR-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 765318462 HNZDGEHMDGQILO-FQEVSTJZSA-N 433.465 0.807 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765752975 SQFQQCIJMIWHPS-KRWDZBQOSA-N 438.960 0.832 50 20 ICGD COc1nccnc1NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 766264667 OMCDHDVKZVVARI-INIZCTEOSA-N 440.460 0.735 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@@H]1CCS(=O)(=O)C1 766556224 PNGNECJCZUGJTG-VHSXEESVSA-N 432.861 0.350 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@]34CCC(=O)N3CCS4)CC2)cc1 766642468 IOXVFUVTEJHMSR-NRFANRHFSA-N 431.562 0.326 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2ccc(OC)c(OC)c2)(N2CCOCC2)C1 767756142 XWERPVIWIWGLGK-UHFFFAOYSA-N 436.509 0.918 50 20 ICGD C[C@H]1CC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 768122121 NSYQUAHSNPTAHU-KBPBESRZSA-N 440.522 0.608 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CCS(=O)(=O)C1 783428900 YNPNDPLUXUSEQU-KRWDZBQOSA-N 430.914 0.313 50 20 ICGD COCC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCC1 786393495 VCHUIJZHDLCDBB-UHFFFAOYSA-N 438.550 0.265 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@@H](C)n2ncnc2N1C 791469439 UGEQNGBLZMJVRR-DOMZBBRYSA-N 442.432 0.094 50 20 ICGD O=C(COC(=O)[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 795738943 IJKRMSMRJDJYSQ-RISCZKNCSA-N 431.367 0.401 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 797622500 KUFAPQSRJXESGW-UHFFFAOYSA-N 428.384 0.881 50 20 ICGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(F)c1 802570110 IBGCUJHFVLQFPW-UHFFFAOYSA-N 435.412 0.639 50 20 ICGD CS(=O)(=O)c1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc(C(F)(F)F)c1 807221181 LSGRUAONKHUJOS-UHFFFAOYSA-N 436.412 0.562 50 20 ICGD CC(C)n1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 807946298 QSGXKOVJBYEYFK-UHFFFAOYSA-N 434.522 0.963 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)n1 815569877 KRDYMCFTIJTESL-UHFFFAOYSA-N 434.474 0.896 50 20 ICGD Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 816886731 FWXSYLXDNSSFLI-NSHDSACASA-N 425.405 0.556 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 819721151 MYOIQCDLAAZNRZ-AWEZNQCLSA-N 425.436 0.881 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnnn1-c1ccccc1 821132268 NJEHBQSWZMVEBT-UHFFFAOYSA-N 449.518 0.492 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)s1 916232320 HVDKVFHBPVOPRL-UHFFFAOYSA-N 436.519 0.616 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 920826969 QLBQUTKCQZUCMA-UHFFFAOYSA-N 442.497 0.821 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 1116084873 JWEGYBYSZRSRKN-ZDUSSCGKSA-N 435.568 0.701 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@H]2CCOC2)CC1)c1csc(N2CCOCC2)n1 1320031723 ZLYJYYBBLYKQDA-AWEZNQCLSA-N 439.538 0.852 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1321400760 PAHNUHWQKPRBFE-QGZVFWFLSA-N 434.460 0.911 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777909050 HODBGZASHSMABS-HSZRJFAPSA-N 436.273 0.154 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777918632 ZSAPLOQYDMRGNI-QFIPXVFZSA-N 430.505 0.533 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c[nH]1 1779373186 LOZMBANNCMSVDW-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1781334109 MITKKERCMGISJG-CPUCHLNUSA-N 435.338 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)C1 1781537908 SPIQUMLYVLLHIR-KDFMHDEESA-N 436.578 0.748 50 20 ICGD Cc1cccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209433 PFKJDBUZHGLAMZ-VGOFRKELSA-N 431.537 0.891 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)C(Cl)Cl 1782214763 BXQNGLHROOUATC-QMTHXVAHSA-N 432.241 0.029 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783352459 GPAJHMNNLQIKIH-ABAIWWIYSA-N 432.344 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccccn3)[C@H]2C1 1785435986 GQRLIECGROMZIQ-WDSOQIARSA-N 431.537 0.367 50 20 ICGD C[C@@H](CC(N)=O)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1786428441 CZRPMQYKVQPKKJ-ZDUSSCGKSA-N 438.488 0.944 50 20 ICGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1ccccn1 1786870495 PFZVRGPNNZSQFU-XSXPHNMFSA-N 429.290 0.752 50 20 ICGD C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983697 TXWNDNZDCRHQSP-JBACZVJFSA-N 426.322 0.728 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791055340 UFQKVIVFJVSGJR-VOAKCMCISA-N 425.345 0.184 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959012 XKTDFEGUPSKXLZ-QHHYFVSCSA-N 443.331 0.637 50 20 ICGD CC(C)c1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794255400 PJFRTZJYOMZOAL-JLVBRIDZSA-N 443.334 0.463 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773304 LQLXONZLZZKDBU-VWPFQQQWSA-N 426.311 0.469 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191740 SWPXNXHGDDBURH-BCDXTJNWSA-N 445.325 0.531 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799354322 GQACBYZNOSEDOI-ITGHMWBKSA-N 437.896 0.386 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1800639397 UAOLWAKALMIYOA-XCCSTKFXSA-N 429.315 0.805 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)nc2nccn12 1801013479 CFGAEZRORBHHIO-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803139569 RCASTRZEIXXJEG-BPQIPLTHSA-N 435.912 0.844 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cn(C)cn2)[C@H]1c1cccnc1 1805955091 PNCHMWSGKRQZTH-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369530 MXUHIBDPQSQZNV-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374822 OCELJCGKSYXAGO-NYSBEXSLSA-N 437.305 0.696 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1808234244 RDYPNGLLRPQJKN-VGWMRTNUSA-N 425.917 0.788 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1)[C@H](F)Br 1808675860 HNKQLKKNRMRJSS-LXFSFDBISA-N 429.290 0.501 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813297713 MAKGLDCQVHSOMK-IKLPIYGKSA-N 445.288 0.518 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814477388 OEZMEOZSXYGZJW-GOEBONIOSA-N 435.529 0.690 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814927365 ALNJWRIPNUICIT-DTWKUNHWSA-N 429.344 0.678 50 20 ICGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2)C(=O)O 1815076297 IXUNLAZOTKABPF-SCZZXKLOSA-N 433.328 0.903 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc2n(n1)CCNC2=O 1816622365 FMQOSSQKRSGQFE-TZMCWYRMSA-N 435.872 0.255 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819364499 WOZCTTPVEXLWLW-ZWKOTPCHSA-N 440.309 0.969 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)n(C)n2)[nH]n1 1822410908 RYUYVDCUEOMDQH-AWEZNQCLSA-N 432.485 0.528 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CO)o2)CC1 1829268126 FHMXHMDLIVCXGK-FQEVSTJZSA-N 440.305 0.999 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830233660 CREICYZKTOQXFE-XLIONFOSSA-N 442.896 0.130 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1)[C@H](O)CCl 1833313960 WTRNSMKOMMTSHT-GOSISDBHSA-N 448.955 0.443 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833677599 MXSCFCUQJJYCSP-KZULUSFZSA-N 430.864 0.096 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819067 HOODNNPXPYLWKF-KRWDZBQOSA-N 434.331 0.143 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934075 MELPPLRJIKAOHR-HSZRJFAPSA-N 442.321 0.205 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)co1 1837422019 MZKYNRLEEOQJCK-DNVCBOLYSA-N 444.988 0.495 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCCC3)C2)C1 1837457244 ZEWNBZHZZYLZRO-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1837956160 JVAXHYXSFDIVLL-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839147781 CFMWYPGURYMWKH-XHNVJUCFSA-N 428.913 0.804 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839150353 KGCPIKGSRGFBSC-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839151894 HTETWNSKSXIGSY-IRXDYDNUSA-N 449.291 0.194 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840152142 YIAPLNOKOOUXPT-YLJYHZDGSA-N 431.961 0.573 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840189557 YHYFBJNFIOXCFH-NJSLBKSFSA-N 448.347 0.648 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@H]2COc3ccccc3O2)C1 1841548328 SWGDILQVJNGLMM-SFHVURJKSA-N 436.273 0.414 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844402019 ZPVOLDVWWPXQDR-UHFFFAOYSA-N 446.414 0.373 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828483 ODCNDJSKNOXFCO-WSDLNYQXSA-N 427.421 0.874 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1845104049 RZRIEYSWNVUQEM-RDBSUJKOSA-N 431.917 0.017 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)[C@@H](F)Br)C3)cc21 1845217975 GCJYWWQISASRJG-GFCCVEGCSA-N 428.262 0.524 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 24880550 VSCVRRCWNHREIZ-UHFFFAOYSA-N 429.458 0.225 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725872132 AYBOMSHXBNIRHQ-UHFFFAOYSA-N 431.540 0.013 50 20 ICGD O=C(NCCCNC(=O)c1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 726259755 GRXOQIHYOQHTGT-UHFFFAOYSA-N 440.298 0.522 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)c2ccccc2c1=O 730068300 JQUGCWCLHZRVDO-UHFFFAOYSA-N 442.476 0.680 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cncc(-c3cnn(C)c3)c2)cc1 731186991 YYYOIFZZBXQKBB-UHFFFAOYSA-N 442.501 0.872 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NCC)c2ccccc2c1=O 731760559 PKNGXRUAFJJYAA-UHFFFAOYSA-N 438.510 0.080 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1Br 732035891 NYBNTJFAZBIESF-ZDUSSCGKSA-N 441.282 0.346 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 743297582 PKDHMKYFPIBYMA-UHFFFAOYSA-N 448.501 0.430 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 744385609 YVHDRKTYMHBHOK-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD CCc1nsc(N2CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 744426847 PPKUMHYLRDYPBG-UHFFFAOYSA-N 433.494 0.982 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1=O 746545225 JGWUKTAYBRDOON-OAQYLSRUSA-N 438.419 0.631 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)CCc1ccc(OC)cc1)OCO2 753839742 DFNSCUCTPRZNGB-UHFFFAOYSA-N 443.412 0.929 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1Br 755280717 AGRDPNUGUMZXOP-UHFFFAOYSA-N 430.284 0.426 50 20 ICGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1 758015728 AQPZNDIMNKLLPM-UHFFFAOYSA-N 425.405 0.429 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 758741937 HZBVJBSDNCSCHT-UHFFFAOYSA-N 426.495 0.464 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2C#N)cc1 759383106 HDSMSYHDUZTZNL-UHFFFAOYSA-N 446.485 0.888 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)cn3)n[nH]2)cc1 763166619 VSYLNVVBLJAEME-UHFFFAOYSA-N 431.478 0.112 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)cn3)n[nH]2)cc1C 763178402 XBDGEKRIUFWRQM-UHFFFAOYSA-N 431.478 0.167 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 763629730 HCUVYZMQESJSCR-UHFFFAOYSA-N 449.485 0.583 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763684968 RGQHZSYPPUQYNC-UHFFFAOYSA-N 448.863 0.972 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1-n1cnnn1 763782234 AGMJNRJVBYNRPB-UHFFFAOYSA-N 427.446 0.621 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763803351 GTTJIANOVAXUNF-UHFFFAOYSA-N 430.373 0.475 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763871061 DARDPJHPSBIXBI-ZDUSSCGKSA-N 437.416 0.418 50 20 ICGD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763922182 TZFWXBKIBISFMW-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD CN1CCN(CCOc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)CC1 764025153 NUVOFCBUDDOYSA-UHFFFAOYSA-N 445.545 0.703 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cccc4ccccc34)cnc2n(C)c1=O 764059005 XUMGXOPLAHRKJF-UHFFFAOYSA-N 446.423 0.185 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 764229522 ATXIJCJVCWWVKM-LBPRGKRZSA-N 445.457 0.374 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNC(=O)c3c[nH]c4ccccc34)ccc21 769470811 NMXCICZQTNPTAR-UHFFFAOYSA-N 435.444 0.933 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1 771443056 HHEPZLRQIRSGBO-KXBFYZLASA-N 440.522 0.284 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 772041067 GNVBAYPLYLFYTE-HUUCEWRRSA-N 425.507 0.885 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1nc(C)cc(C)n1 773481655 JFIGISMNEMKAFJ-UHFFFAOYSA-N 434.478 0.625 50 20 ICGD CC[C@@H](CSC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775461007 YODAGYHELFDLGL-AWEZNQCLSA-N 430.552 0.793 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNc3cccc(S(C)(=O)=O)c3)cc2)NC(=O)NC1=O 776619010 ILDDFAXBFVTZLB-IBGZPJMESA-N 431.474 0.971 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)nc1C 778427681 FBLSTDJKSBBFLH-UHFFFAOYSA-N 432.462 0.829 50 20 ICGD CN1CCN(C[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c2ccccc2)CC1 778691507 DYNVUMVMKVTSAL-KRWDZBQOSA-N 434.541 0.830 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)OCO2 782896346 GFGSLQYXDMPYCK-UHFFFAOYSA-N 447.473 0.725 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCS(=O)(=O)C1 783428016 SJUVUDSVJYDHFG-HNNXBMFYSA-N 447.395 0.892 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(-c2nc(C3CC3)no2)c1 784000164 PAYINTFUYWKPAG-UHFFFAOYSA-N 426.433 0.631 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(Br)nc1 784003636 JWEATQYVKKOATN-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnn1-c1cccc(Cl)c1 784003819 BSKGNSVOISNGGG-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 784379465 MEIRMRGQKHUGNE-GJZGRUSLSA-N 446.416 0.464 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 785024723 ZAZPHSAXNSULIL-LBPRGKRZSA-N 443.416 0.925 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cn2)cc1 793038640 GDPLGIBNYUCEQD-UHFFFAOYSA-N 440.416 0.049 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794061738 KLPPOUOZRNKIIM-SFHVURJKSA-N 437.460 0.839 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCOC[C@@H]1C)c(=O)n2Cc1ccccc1 794476658 PNMOOOAVUZSRGE-HNNXBMFYSA-N 438.488 0.957 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794722251 UPAZAACVERXKOI-CQSZACIVSA-N 444.510 0.836 50 20 ICGD Cc1nnc(COCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 794742635 VABSKLHGZPKGNC-UHFFFAOYSA-N 439.519 0.609 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1C(N)=O 797001699 JRONTJIPIIRETL-KRWDZBQOSA-N 426.429 0.662 50 20 ICGD CCn1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C(F)(F)F 799258818 MLUZBBKVAPRTFK-UHFFFAOYSA-N 444.326 0.995 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c2C1 803839772 XYMIPXJURLBHBO-OAHLLOKOSA-N 438.444 0.071 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCN(c2ccccc2)CC1 812498400 MSLFVUWLBYFEEJ-UHFFFAOYSA-N 437.504 0.189 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1 812728726 XKXSWRGRJNTDBZ-UHFFFAOYSA-N 432.568 0.878 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)ccc1-n1cnnn1 813033635 CQTACXRGNOCMPI-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1csc(N2CCOCC2)n1 817053021 ZVVWNQJVUBWRJP-UHFFFAOYSA-N 425.536 0.916 50 20 ICGD CS(=O)(=O)Nc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 840461935 NDVDJMWTWYKTPR-UHFFFAOYSA-N 430.450 0.178 50 20 ICGD O=C(c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1)N1CC[C@H](B(O)O)C1 864234725 URSNWIIQUWPBAA-LBPRGKRZSA-N 430.251 0.758 50 20 ICGD CCN(CC)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920425166 SUZPZIMHTQBVBQ-UHFFFAOYSA-N 426.539 0.129 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2nc(CN3CCOCC3)cs2)c2ccccc2c1=O 920928468 FOAOSLMGOQPAHG-UHFFFAOYSA-N 443.489 0.689 50 20 ICGD C[C@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 1319021515 SRLSOACJQBUJIU-MRXNPFEDSA-N 440.589 0.847 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCN(c2ncccn2)CC1 1324135956 JCBOJGDIMBHHTA-UHFFFAOYSA-N 433.416 0.462 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1780098689 QKDVYMKKKIGJKK-ZUOKHONESA-N 448.432 0.098 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1780603415 DVIPSNBCLWPSDA-YWCWZJBTSA-N 441.956 0.501 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331306 IBCSUJDPGLSUNK-MLGOLLRUSA-N 429.246 0.541 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331372 JEBGRCIDQHYOKG-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cc(O)n1 1782212048 PWKGUKZPHTYDPL-VGOFRKELSA-N 447.536 0.596 50 20 ICGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1786531945 QOSJYMSMYLOTQF-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1793099579 AMFGAOSTPMZXKK-JAQSECSASA-N 428.294 0.208 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Cl)s1 1793906200 PXGJWPTWBSAOFI-DBWKPXFBSA-N 442.969 0.907 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncs1)C2 1796441295 VIXGNFBWKCAKNC-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl 1796810909 JCJSUVDLVWODFA-XJBAAKRRSA-N 434.896 0.928 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)n(C)n1)C2 1796890044 WHRFKDUPINHOAR-ONMDDFKGSA-N 427.465 0.512 50 20 ICGD COCCn1nccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1797056848 MQWJCMDNGIPPJN-QDMKHBRRSA-N 441.492 0.094 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3[nH]ncc3c1)C2 1798440336 IFHHPMWEUZUUBF-QDMKHBRRSA-N 434.460 0.522 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798768970 JFNQLUBCWSUTPW-XFMPKHEZSA-N 427.885 0.556 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)c1 1799024439 KXVYFTOYGHCFLA-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2)[C@H](F)Br 1799352007 IGDAQCHOEUAZIN-VHKOSHJNSA-N 429.290 0.795 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@H](O)Cc1ccccc1 1800636392 XAYADGMLMQOQIK-YIDVYQOGSA-N 429.286 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1801009285 YJRSOFFXRHGLAR-OPMZPASUSA-N 427.505 0.063 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)nc1 1805518160 MWQLEVTZFRRPHB-INIZCTEOSA-N 443.953 0.930 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373227 PQVOUTYTYIXFMT-DENIHFKCSA-N 447.304 0.286 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnc1 1813068651 PKJPYJIIWBBEJS-MMOPVJDHSA-N 441.536 0.918 50 20 ICGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2 1814326005 IWSMDJCZANBFPI-QUBYGPBYSA-N 428.305 0.790 50 20 ICGD O=C(CC1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814605415 CCAFUYUYFFFGPY-INIZCTEOSA-N 443.334 0.865 50 20 ICGD Cn1ccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816552643 BUFFSCJHKIFPLV-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817090127 UHSGKQLRZKZBIN-VXNVDRBHSA-N 427.870 0.824 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc2n(n1)CCNC2=O 1817117923 OSOFVIDNFBAPMF-JMCQJSRRSA-N 426.861 0.843 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1822413243 PMKXJAGDUHHYLO-INIZCTEOSA-N 435.529 0.107 50 20 ICGD CN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826081467 RHFALGGXICCGBW-CQSZACIVSA-N 436.582 0.770 50 20 ICGD CC[S@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088674 ZRNRYZRKPIUCIP-AOAWJKDVSA-N 443.595 0.587 50 20 ICGD Cc1ccn2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1830736125 RLGOTIGPEVARQD-UZLBHIALSA-N 436.896 0.312 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832908577 LOTKZRJAEGUZHW-PXNSSMCTSA-N 441.912 0.079 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835078620 PNBPBZJOQAWORZ-INIZCTEOSA-N 425.892 0.900 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835096918 SJIFMKNDJMIGQD-RBUKOAKNSA-N 437.972 0.123 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)C1 1837715142 YWIAASVXHXDBHL-YLJYHZDGSA-N 427.618 0.636 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838108901 UNYMLSMLWZPIIA-BDJLRTHQSA-N 432.271 0.624 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839070173 ZNFZQZJPZKPDMH-GHTZIAJQSA-N 435.908 0.767 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839153865 UAMLQZKAZZQNPF-SJORKVTESA-N 449.339 0.012 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)n[nH]c12 1839595698 OINKTFCCKAYHTJ-YWZLYKJASA-N 436.896 0.541 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839965235 RDOZOCSXOGYPER-LBTNJELSSA-N 446.342 0.307 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1839967058 YZTKYFRCNVHCQT-DYVFJYSZSA-N 447.326 0.570 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1839967743 XCCDMOKGRQNEQA-MAUKXSAKSA-N 443.342 0.593 50 20 ICGD O=C(COc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839968148 RYQJYNZDKOIMHF-HNAYVOBHSA-N 430.860 0.261 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840032133 OGYWUVSRFGWBEP-ABAIWWIYSA-N 437.360 0.243 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840152643 OPIOIORMKZWDMU-QRWLVFNGSA-N 440.928 0.233 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840155447 CDJPITGCLGKROD-MMOPVJDHSA-N 437.924 0.733 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408223 MPJOMTCDERQPAI-KXBFYZLASA-N 426.901 0.719 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840427668 NHYMSYFEHSSLBI-GQIGUUNPSA-N 441.912 0.559 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840454739 QPJPLOFOOBPHOS-SYNHAJSKSA-N 441.912 0.559 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840855409 HCZFOPCTELYJLX-QIIPPGSGSA-N 448.358 0.531 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012073 ANYGRMUPFNPIDI-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845505553 QRNNRCJQBHXIOR-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1C 726278180 VCNCPIUUKWXHDL-KRWDZBQOSA-N 432.525 0.515 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)cc1 726502442 UDOOGKZILFESKW-INIZCTEOSA-N 445.497 0.908 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)NC3CCCCC3)cnc21 727098871 IWSVHXVVZLYDQM-UHFFFAOYSA-N 426.275 0.556 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1C 728178637 AHSATVXSPLOKHZ-MRXNPFEDSA-N 431.580 0.691 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CC(C)(C)C)c1OC 728607863 DRWAEIJTKZFVQL-UHFFFAOYSA-N 443.522 0.922 50 20 ICGD O=C(NNS(=O)(=O)CCOc1ccc(F)cc1)c1csc(N2CCOCC2)n1 736418650 HKFUULUAKTUMNQ-UHFFFAOYSA-N 430.483 0.762 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CN(C)CCO3)c2)cc1 742239474 AAVBNDQLJZWYII-SFHVURJKSA-N 448.501 0.588 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cnn(CC(=O)OC)c2)cc1 743250829 KBGGJNDTRPOPCO-GFCCVEGCSA-N 426.451 0.232 50 20 ICGD O=C(NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@@H]1COc2ccccc2O1 743252284 UQCYBXHPCXJLHX-ZDUSSCGKSA-N 425.806 0.924 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 743258136 ZHIICSOXBIPOPD-RXMQYKEDSA-N 435.267 0.149 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744708699 MAOVZAJCNPWGLY-LLVKDONJSA-N 436.471 0.291 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 744749523 COKILRWJHPKSPP-UHFFFAOYSA-N 427.461 0.790 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 746239711 PCHDDZSIOUGDJI-MRXNPFEDSA-N 426.404 0.446 50 20 ICGD CC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 746366620 CBTVFQLLLRSMEX-WCQYABFASA-N 426.886 0.527 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 746553481 LWNJQNOEKAVMHT-UHFFFAOYSA-N 442.501 0.520 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)n1 747348353 OQIUYIGOHHNCAY-UHFFFAOYSA-N 428.493 0.602 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1 749353469 OCKZBBDJSVVPGG-UHFFFAOYSA-N 444.867 0.957 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CSCc1cc(=O)n2ccsc2n1 751209900 XMUSOZSXZARKMK-UHFFFAOYSA-N 437.528 0.628 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)o1 754739387 BSNMFHOPXCZMOG-UHFFFAOYSA-N 445.475 0.248 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)n1 760277552 MYBAXAVHOZHNMZ-ZDUSSCGKSA-N 441.423 0.972 50 20 ICGD CSCCNC(=S)NNC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 760823203 CTJRKQNIDVOQRC-LBPRGKRZSA-N 433.600 0.751 50 20 ICGD C[C@@H](CC(=O)NNc1nccc(N2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 762850658 IAMBCENVHQXPOB-ZDUSSCGKSA-N 445.505 0.274 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 763469814 BWVDSNFNKSMZBQ-UHFFFAOYSA-N 442.356 0.991 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)c1 763482533 HNDMFHNCDZVDGQ-UHFFFAOYSA-N 441.263 0.496 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 763916222 DLGVJXPJLWQUBS-INIZCTEOSA-N 432.444 0.439 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cc2)CC1 764179579 UXRXZFCFDMHHED-UHFFFAOYSA-N 445.520 0.648 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 764398312 DZIJQOQNUOHRFU-CYBMUJFWSA-N 429.433 0.471 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 765811698 HXYFTSZHRKYMOA-UHFFFAOYSA-N 434.428 0.840 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)n[nH]1 768277718 WPZFDRVSONJCJN-AWEZNQCLSA-N 437.478 0.209 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 768292362 YJJMEMQADMXYFQ-OAQYLSRUSA-N 445.564 0.385 50 20 ICGD COC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 768667507 XKJMKFUGZGIWNX-AWEZNQCLSA-N 431.401 0.562 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2F)cc(OC)c1OC 769738297 JIMHGCQXHMYJDM-UHFFFAOYSA-N 427.410 0.574 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772114402 JCRMQYQHQFNWRL-FZMZJTMJSA-N 442.450 0.237 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cc2)CC1 773651339 SUZIUXPEBJDJGV-UHFFFAOYSA-N 440.460 0.993 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776059961 UZRKYMPADJBPMR-ZDUSSCGKSA-N 445.461 0.601 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nc1C 778429379 RZEVPCCPVQRIPZ-UHFFFAOYSA-N 430.377 0.739 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccc(Br)cn2)c2ccccc2O1 784339333 GYDWNRTUWPRVHT-CYBMUJFWSA-N 434.250 0.827 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1N1CCNC1=O 787541023 IMNMEVVMEZCCKV-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD O=C(NNC(=O)c1n[nH]c2c1CCCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 789726666 DIIKNSRRRKSGJS-UHFFFAOYSA-N 447.517 0.774 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1ncccc1C 792378012 HXAALVFFHLTWLG-UHFFFAOYSA-N 426.477 0.868 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNc1nc2ccccn2n1 792393837 IMYBSEBEHWKLHU-UHFFFAOYSA-N 438.492 0.962 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 792855356 QRLSBRSJXJRDOG-HNNXBMFYSA-N 442.270 0.154 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)c(I)c1 793414822 GRAQTDMLTXMZMO-UHFFFAOYSA-N 427.220 0.265 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 794763769 JTGVHDXAFKGNHL-GFCCVEGCSA-N 428.511 0.859 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 795323801 IPAFLPGLUQSFJN-UHFFFAOYSA-N 434.902 0.323 50 20 ICGD Cc1nccnc1N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 799369672 OZJHHIYJGVRRLE-UHFFFAOYSA-N 425.497 0.354 50 20 ICGD COC(=O)c1cc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1OC 806968520 DQMNKRMVFMVGEF-UHFFFAOYSA-N 449.489 0.919 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@H]1CCCN(C(=O)N2CCCC2)C1 807457420 CTCMGHSCHGBNPO-ZDUSSCGKSA-N 427.465 0.960 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1 810384508 FBBXUDDEARPXLX-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815570031 OLAOVHJSBUGGCT-UHFFFAOYSA-N 436.162 0.322 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 864232551 BCXYPLHSGMVQEE-OAHLLOKOSA-N 439.343 0.243 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)c1nnc(O)c2ccccc12 913580713 QNTGXPCNNKURNI-UHFFFAOYSA-N 437.384 0.353 50 20 ICGD CN(CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)S(C)(=O)=O 914712488 WNEBISFLJIIFIK-UHFFFAOYSA-N 443.485 0.097 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 914837483 FBMZTGDFHPYENJ-SFHVURJKSA-N 448.501 0.801 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)[nH]c(C(C)=O)c1C 915165045 XJZHBGOLJSVHRH-UHFFFAOYSA-N 435.458 0.720 50 20 ICGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915187792 BWQIBQVELWQNKK-UHFFFAOYSA-N 441.487 0.680 50 20 ICGD O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212424 JJTSYIFFGCWEOX-VIFPVBQESA-N 444.922 0.802 50 20 ICGD Cn1c(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)nc2c1c(O)nc(=O)n2C 920358935 OTZQKRRDUGWSPF-UHFFFAOYSA-N 438.492 0.035 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1337480185 BZIKLFHNUHQJKH-UHFFFAOYSA-N 425.445 0.411 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128799 GZASBFZNTCSKKE-YYQBIWNASA-N 445.944 0.719 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1779403431 ZXNHBJNHVXFNCB-ATNYBXOESA-N 436.864 0.530 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)no1 1783533866 AKMSSSNROGEJGQ-PXAZEXFGSA-N 443.298 0.925 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783929843 PSCAKXDEXLJLHH-BPLDGKMQSA-N 425.251 0.123 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)C(=O)OC(C)(C)C 1784089420 BLHHROINYDVOQC-XQLPTFJDSA-N 433.933 0.433 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784492558 IEFDQNLHVSWCPQ-IIBYNOLFSA-N 433.509 0.052 50 20 ICGD C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785079779 ZONUWXZTZFUKRA-QTVXIADOSA-N 433.933 0.479 50 20 ICGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccc(Cl)c1 1786880716 ILCFROQQDSLVNJ-BTYMGIQYSA-N 430.332 0.919 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1787508639 DZIAAVWLCAACHE-RAKJEAAFSA-N 439.476 0.204 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)sc1C 1789132808 ISVRVEQWCIWFLB-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1791255526 SEBILTJMMUVDDW-MHEUCROKSA-N 425.869 0.657 50 20 ICGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c([N+](=O)[O-])c1 1792979747 DVCJLRINYRYHDQ-VLWCASSMSA-N 441.868 0.335 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2)[C@H](O)CCl 1792981403 XQDCMRJLBDOSGK-NOXHYTERSA-N 439.852 0.333 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088251 YBFBYRRNLDKGPN-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189278 SLMQQDYMXJVHGG-SJWGOKEGSA-N 428.323 0.575 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796190528 IJFQJASEZFFDSS-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD CCc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797751857 WCRYVBIDGFPPFM-DRXBFXEBSA-N 444.517 0.221 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800759527 UHAUACUPNGUMFW-OPJNXSHCSA-N 432.315 0.888 50 20 ICGD Cc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010817 VXNIJYLOIXUCNE-OPMZPASUSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3[nH]1)C2 1801011236 CUINTLQIACGXJX-DBWKPXFBSA-N 433.534 0.806 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1802276200 BFVSGOYEBPUQJZ-LSCVPOLPSA-N 430.914 0.344 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)nn1C 1805590038 NCCAMHMGTLDAOD-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800637 QRPVWWQFYFEYCG-AEJSXWLSSA-N 446.371 0.679 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)CCCN1 1819403911 MRYGWOONMJIVIJ-IIBYNOLFSA-N 440.508 0.856 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828783061 FTBROCHDDOWKOW-GEFUHLBYSA-N 448.394 0.758 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1 1830219570 WYEUYRLGALLWHI-FRQCXROJSA-N 430.860 0.719 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830350363 SIIVRDCALXXWHM-FXAWDEMLSA-N 442.896 0.481 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488951 ZUAFFDRJQXEIDH-LJQANCHMSA-N 443.661 0.744 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831737258 WFRPPGUZVGZNPK-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccoc3)CCO2)C1 1832655566 RVJNKUXFPDVBID-LAEWNIMASA-N 434.493 0.122 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832819497 CDTGECRPTPQFBH-UZLBHIALSA-N 441.912 0.079 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833671401 WDFDLSMZRGHNQT-GOSISDBHSA-N 430.977 0.680 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834076529 SRSOIVSXYNCMAD-LBPRGKRZSA-N 427.347 0.784 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccncc1 1834136641 JHNMNTMBOKIHHB-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819544 VIRWVZOIYFDUGO-QAPCUYQASA-N 443.342 0.761 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1836075421 SDSWUHCUKPSZLD-MEDUHNTESA-N 431.287 0.160 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ncc[nH]3)CC2)CC1 1837339066 LXKJHPNKWUBGIB-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837711624 MBVYWCUYQRKWLC-SFHVURJKSA-N 427.599 0.994 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820847 DLFQDYUFYLGZJF-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838358020 PWEGVVFOIMULJQ-JKSUJKDBSA-N 449.932 0.303 50 20 ICGD CN(CC(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1)C(=O)C(=O)O 1838729170 PXKOPOOMHGBQNK-UHFFFAOYSA-N 438.308 0.332 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047293 IEIKKCMHNKVWES-NRFANRHFSA-N 449.939 0.993 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839146485 ZSOYKLOPGBYARP-IDXDDCQYSA-N 431.917 0.989 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)C1 1839202013 QIZAJDAHXSGCMJ-ZQIUZPCESA-N 436.322 0.475 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840153480 PQGAOVYLZCNECR-UZLBHIALSA-N 436.896 0.887 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841299729 GUJWMURZLFPNPO-RYUDHWBXSA-N 434.331 0.859 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841351295 KLEBUGFCYCXFBB-LSDHHAIUSA-N 445.944 0.816 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841400648 BXBCCWFZKAIHJU-INIZCTEOSA-N 433.892 0.405 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845175647 MRRIDUIAAYSRKR-UHFFFAOYSA-N 429.521 0.818 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846216378 IDKOJRDQUVQENM-HZSPNIEDSA-N 431.917 0.160 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 17583240 CQIUVABCBXALSQ-ZDUSSCGKSA-N 431.474 0.779 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)CCC2CCCC2)cc1 726523758 WUMYNWOYINJARY-UHFFFAOYSA-N 438.550 0.850 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCCCC2=O)cc1 730129159 GXIOLBZZNBVHPB-UHFFFAOYSA-N 439.538 0.349 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCNC(=O)c2ccc(F)cc2)c1 732248884 KHDUBRXSCNZBMF-UHFFFAOYSA-N 436.465 0.993 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)cc1C 736794760 KUINAMHTKVSITA-AWEZNQCLSA-N 433.486 0.714 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)nc1 741092762 IYZGUIHPIYREAO-QWHCGFSZSA-N 433.556 0.750 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742472779 RBJIMBKSCNNMGB-SKNMWMDOSA-N 447.444 0.026 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 755431979 FXYBHAXKVYLQRU-JGTKTPFSSA-N 439.472 0.295 50 20 ICGD COCC(=O)NNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 755690439 DZQVSGADTSKNJG-UHFFFAOYSA-N 427.465 0.167 50 20 ICGD CNc1nnc(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 759972845 IADLWJCYYQVHNC-UHFFFAOYSA-N 425.540 0.202 50 20 ICGD CN1CCC(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 762899231 MULCEMHVBNXQIO-UHFFFAOYSA-N 441.400 0.991 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccccn3)cc2)C1 763466206 HVLHOOFCMNEPPH-AWEZNQCLSA-N 445.501 0.902 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1S(N)(=O)=O 763551412 PLWGVUBZCVRIES-UHFFFAOYSA-N 434.430 0.025 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572098 PUDOBDMOCPZWDJ-ACJLOTCBSA-N 441.440 0.964 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 763639380 MYBMEICNSILBSJ-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1=O 763669267 VXVMVMFBPSIKDH-UHFFFAOYSA-N 444.444 0.193 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 763679421 MRZDKZORSZJGGA-UHFFFAOYSA-N 439.476 0.576 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 763680171 DAJSVYULTAONIY-UHFFFAOYSA-N 441.419 0.699 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc21 763682598 XISNKBUHEXRFIT-UHFFFAOYSA-N 448.439 0.424 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(Cl)c3)cc2)C(=O)N1 763748166 NVMHEEDMPDZCHZ-ZDUSSCGKSA-N 428.832 0.945 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 763966542 GEBBBQGZCAQMDH-UHFFFAOYSA-N 434.478 0.393 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002426 MFKMHVCNYLPFFC-SNVBAGLBSA-N 445.519 0.569 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 764082101 BKJYBDFVIDJDCR-IHRRRGAJSA-N 440.522 0.617 50 20 ICGD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764205106 ZDZOIIYDRIKHSY-ZDUSSCGKSA-N 436.488 0.286 50 20 ICGD Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765730855 PAOWUXWNSFELNA-UHFFFAOYSA-N 442.476 0.057 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 766783695 CXSBKJYMKRAWEK-UHFFFAOYSA-N 438.418 0.352 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 767482903 PGURBAMDYHGWGW-NSHDSACASA-N 432.882 0.627 50 20 ICGD COc1ccc(CN2CCCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2=O)cc1 767933221 YUFRPMJWSYSCPI-UHFFFAOYSA-N 445.545 0.885 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1cnn(CCN2CCOCC2)c1 769244063 ZYGJERDFALPGDO-UHFFFAOYSA-N 438.510 0.776 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1F 771608126 SGXSDOIQZLVVJM-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(C)c1 773530200 UIMSEQKJWSDSAK-AWEZNQCLSA-N 447.517 0.654 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 775337481 HLRPRHRGPZHGGU-ZDUSSCGKSA-N 449.489 0.957 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777941288 QVPSKLYHBFYUDY-UHFFFAOYSA-N 445.450 0.094 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)ccc21 778709840 ITEPOTOUOKFTEO-UHFFFAOYSA-N 435.440 0.884 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc21 782892580 DNIAMVRPHDXPKC-UHFFFAOYSA-N 434.456 0.811 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1C 782897023 LMXYSKUUCFGUHJ-UHFFFAOYSA-N 428.474 0.868 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nccnc1Cl 784781599 LUMYBZKKXCKFMK-UHFFFAOYSA-N 442.885 0.861 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 792010994 CSAGOUUNDJUULP-UHFFFAOYSA-N 429.520 0.199 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 794598688 MKYRXCZIVRDJLD-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD O=C(NNS(=O)(=O)c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 795277087 ZBOGKUNQCULENY-UHFFFAOYSA-N 431.517 0.392 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1 799832360 XLKVGKAASZXONL-JYJNAYRXSA-N 428.599 0.871 50 20 ICGD O=C(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 810068183 KENIXUBBWAMFKB-LLVKDONJSA-N 431.371 0.746 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1S(N)(=O)=O 812429075 FIQNJRCGHLQMRT-UHFFFAOYSA-N 431.474 0.897 50 20 ICGD O=C(c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H](B(O)O)C1 864234861 XKEAXGVHWUFSBC-LBPRGKRZSA-N 447.116 0.159 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc2ccccc2n1 914747480 OAZUOSVACVKQFA-UHFFFAOYSA-N 430.442 0.924 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 916374354 VPYJAGQJIJHFTA-YJBOKZPZSA-N 443.481 0.825 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 919836451 QRVZOVQUGKAVNY-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919910518 VTXOBBPPKHMLCQ-UHFFFAOYSA-N 449.508 0.647 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)nc1 920343116 VPJVELQIUFAFDY-UHFFFAOYSA-N 427.826 0.773 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3CCOC3)CC2)cc1 921202844 HQENLNYGHFAFEP-OAHLLOKOSA-N 425.507 0.670 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1OC 921294972 FXSRREPLDUCYRW-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 1319078802 ROZDFMQEONPZNO-OAHLLOKOSA-N 441.529 0.601 50 20 ICGD Cc1ccc(Cn2ncc3c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C)nc32)cc1 1320429946 ODEKGZCLNYURKS-AWEZNQCLSA-N 444.517 0.795 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779032332 JFGGIGMKKSJUEU-OAQYLSRUSA-N 442.476 0.554 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(C)c3)C2)C1 1779517174 NCHYREGYOYEXSE-LWROZRRASA-N 438.488 0.968 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Br)C3)CCN1 1782269666 RQJDZRLTUQAFBE-ALYFQZSWSA-N 434.306 0.717 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782721933 NLWJUPGVFCQYGC-IBGZPJMESA-N 449.414 0.514 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783347315 GWHZZPDQASNVCB-YVEFUNNKSA-N 437.298 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cc1)CCO2 1783934896 JXPSCRKWTHOICM-QFIPXVFZSA-N 431.537 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn(C)cc3c1)CCO2 1783937322 ROTLLQDKZFBBPF-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21)[C@H](O)CCl 1784091958 FYMRNMBPYLUSCL-OBQKDBCYSA-N 434.924 0.332 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096004 QVFANHDRTXMTSW-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787479199 CAGXAIIIXBDXJH-FTYOSLGDSA-N 434.222 0.602 50 20 ICGD CCS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145109 MZRYFMAEFBMUIA-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21 1788611361 WWGUXUNHSZUUBB-LNMJFAINSA-N 445.520 0.095 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790580149 QRSPHGHXUSZMFW-AJNGGQMLSA-N 441.326 0.254 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCCC1(F)F 1793481433 QFJQPYYGOQXRJG-CYGHRXIMSA-N 436.264 0.395 50 20 ICGD CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1794141138 BEKDGMXZDFYQQY-CRWXNKLISA-N 430.933 0.893 50 20 ICGD Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)c2c1 1796272314 NHRDCGTWBMUQBB-VPTLXERWSA-N 442.520 0.219 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1798443483 ARZALQQYFBQJSL-APIJFGDWSA-N 437.504 0.465 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ccoc2cn1 1799879131 ZTJBUTRFGFCVAF-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1C)C2 1800974172 NZPAIGPRCVDDOK-USYVTKNRSA-N 435.952 0.887 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363074 ALFZEWVSTYRUTD-JBACZVJFSA-N 436.321 0.175 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCCN1 1808069434 WKQMCSZGBVMVIP-GREBRCKQSA-N 436.321 0.223 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974219 SKKLSCPISJQHPB-CQSZACIVSA-N 437.143 0.995 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnn2C)[C@@H]1c1cccnc1 1813071956 ZXHCNTHJVBJWNP-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD COCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1815190005 IMQSFGIGHYPTTJ-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD CCc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)co1 1815360528 IHRYSLOINZDMCY-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD O=C(Cc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815970509 STUQQKFEYREHAM-SFHVURJKSA-N 434.265 0.428 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cccn2c(O)nnc12 1816962998 WEOBMFRCNCXMDV-LDYMZIIASA-N 436.881 0.717 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2cccnc2)[nH]n1)c1ccc(B(O)O)cc1 1817471361 VUQNLCAASPJLCJ-LJQANCHMSA-N 449.276 0.869 50 20 ICGD CN1CCN(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)CC1 1824182064 RUNKXYFCFLVHBV-MOPGFXCFSA-N 429.005 0.843 50 20 ICGD O=C(CN(CCO)CCO)N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826103693 XQDKWVXVGWXLES-SECBINFHSA-N 425.338 0.145 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827688260 WECJIESMZKYJSB-KKSFZXQISA-N 443.353 0.467 50 20 ICGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](F)Cl)C2)C1 1828963309 ZAXZNOFUYJZYRL-LPHOPBHVSA-N 426.876 0.932 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723906 UAMFOCHYOSDAEB-QRWLVFNGSA-N 440.880 0.014 50 20 ICGD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1831368280 ULOHEKJPPQEDBD-KSSFIOAISA-N 433.343 0.900 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833023687 SJWGVTVUBRFJCN-KBXCAEBGSA-N 446.957 0.489 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306495 UDSIWBFVPSBOSR-QGZVFWFLSA-N 425.961 0.822 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833365813 HBARFRPXTDATEI-YLJYHZDGSA-N 440.928 0.471 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790514 RSUPKGLAXUTYDD-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105449 HGOBOMHKNGDUMZ-WAOWUJCRSA-N 445.004 0.486 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150207 FOEPIURJXKLYIA-ZWKOTPCHSA-N 438.352 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1840154077 KTXGAAXRXXPLOT-AUUYWEPGSA-N 428.917 0.857 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187802 XOPGUBDMWIPAFF-KSSFIOAISA-N 431.320 0.212 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840611715 LAEPUKPRFYGIOW-QFIPXVFZSA-N 444.337 0.263 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@H]2CNc3ccccc3O2)C1 1844221653 OMWUIAVGQKUGAR-INIZCTEOSA-N 429.521 0.826 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnoc1)C2)NC(=O)NCc1ccccc1 1845038655 DSBXZJWXNFFIIG-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1845273797 LEMGNNKCCLQFLX-UHFFFAOYSA-N 437.261 0.676 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2ccccc2o1 1847423445 RUBOSYWCDBWKNV-ROUUACIJSA-N 432.241 0.602 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848100143 RGYJNKAZVGXECJ-XUXIUFHCSA-N 445.948 0.767 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)C2=O 13082352 KPEVIVKBOATAPB-YEJXKQKISA-N 440.460 0.840 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 26973217 STAYDTGDKOFCLQ-GOSISDBHSA-N 449.485 0.741 50 20 ICGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)C1CCN(c2ncccn2)CC1 728847833 RLKWEGIMBNMGBV-UHFFFAOYSA-N 444.879 0.919 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 729693170 MIXUJBGXLKWSAE-UHFFFAOYSA-N 434.503 0.537 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c2ccccc2c1=O 731470464 BUYGOQMBKBFIQT-UHFFFAOYSA-N 440.460 0.507 50 20 ICGD CC(C)(CNC(=O)NNC(=O)c1cc(F)ccc1Br)NS(C)(=O)=O 731761443 LQAVBZBZBLHWOQ-UHFFFAOYSA-N 425.280 0.860 50 20 ICGD N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)Cn3ncn4nccc4c3=O)cc2)cc1 732750430 PEORKMPEHREHFH-UHFFFAOYSA-N 443.423 0.656 50 20 ICGD COc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1OC 735118676 XONRDOCRPPVGSU-UHFFFAOYSA-N 435.506 0.792 50 20 ICGD CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744555357 XLAUPJGPKOGDDH-UHFFFAOYSA-N 434.405 0.223 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 746550734 SMSITLPLRZVBRJ-QFIPXVFZSA-N 432.440 0.418 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)NC(=O)NC1=O 746760085 AOIHTAUKPUCTSD-NRFANRHFSA-N 435.444 0.462 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccc(Cl)cc1F 747330024 PIWODOSNLZAJJF-MRXNPFEDSA-N 426.876 0.953 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCCN1C1CCCC1 749257938 HJVBPVXMMFWRCY-HXUWFJFHSA-N 427.549 0.999 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n1 752862753 YJLRLFYGNUGIHZ-UHFFFAOYSA-N 441.469 0.655 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 753277012 TUVZYHWULJXJLP-UHFFFAOYSA-N 433.446 0.160 50 20 ICGD C[C@H](Sc1nncn1C)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782012 KWCURTMBLHGCKG-LBPRGKRZSA-N 427.531 0.931 50 20 ICGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760878065 KECMBZYIFFHNDC-CQSZACIVSA-N 428.511 0.535 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(Cl)c1 762539034 JMESLCJLZFGGFU-HZPDHXFCSA-N 429.926 0.769 50 20 ICGD CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1c(C)nn(CCS(C)(=O)=O)c1C 763121369 DXVWSUDECHGXAR-UHFFFAOYSA-N 444.521 0.738 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cc(C)oc1C 763577676 YOEDSHTVFHGPGE-UHFFFAOYSA-N 438.462 0.555 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 763660572 BTTBPNSFYFZAPL-UHFFFAOYSA-N 446.435 0.836 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1 763735738 QCNYTEGPPXLUSS-UHFFFAOYSA-N 442.906 0.866 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc(OC)c1 763948422 JTRUOHAAQZZRIX-UHFFFAOYSA-N 425.401 0.995 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCCc2ccccc2)c1 764000013 YCBDAMNQONISKQ-INIZCTEOSA-N 445.497 0.829 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 764011585 JLJBEWUZKPPLGO-UHFFFAOYSA-N 433.852 0.980 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1Cl 764225643 BPFGPVKIMDEOTD-LURJTMIESA-N 441.691 0.126 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 766735168 UWNSLGNASLLNHW-UHFFFAOYSA-N 438.418 0.352 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 767344236 LNVLWWRMLZVQMZ-GOSISDBHSA-N 437.452 0.747 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)nc2n(C)c1=O 768276519 JIKOEHFRIKZRDL-UHFFFAOYSA-N 437.391 0.236 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(Br)c(F)c2)n(C)c1=O 771681428 SIKJIVKCTHRWDT-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778519291 VRLJZLUXEJFWSP-UHFFFAOYSA-N 442.494 0.230 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NN=c2cc[nH]cc2)c1 780759215 CYVOPFYISSMGCV-UHFFFAOYSA-N 429.296 0.948 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 782148100 CDKUZMMUVSUTOS-UHFFFAOYSA-N 435.462 0.193 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1nccnc1C 783522675 XLSFMALUDWFXSC-UHFFFAOYSA-N 430.534 0.940 50 20 ICGD O=C1C[C@H](c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)c2)CN1 789811082 UHTFJVHZYCXWGR-QRFRQXIXSA-N 436.468 0.949 50 20 ICGD COc1cc(C(=O)NNC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc(OC)c1OC 790082026 XOYNAZTUDKTRFP-UHFFFAOYSA-N 443.464 0.743 50 20 ICGD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 799834376 CJGMMZJOXYUDPG-CQSZACIVSA-N 448.501 0.598 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1CCOc1ccc(F)cc1 799863931 MHEWPGKZSNRVFA-LBPRGKRZSA-N 425.442 0.000 50 20 ICGD Cc1c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)nnn1Cc1ccncc1 802998874 SAKRUIMTDSLBGR-UHFFFAOYSA-N 427.852 0.761 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F 806568659 WDNCRLFZMRHPCE-LLVKDONJSA-N 430.380 0.357 50 20 ICGD C[C@@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 806976750 LIWLCNWZWNBOCM-ZJUUUORDSA-N 437.396 0.537 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CCOc1ccccc1 806977598 QNJHRYIUPTVUGQ-UHFFFAOYSA-N 449.485 0.795 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 807371662 QXHHZKSVVBXFHJ-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 811279630 UHFMKIGVANABGC-CYBMUJFWSA-N 439.465 0.979 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 814293954 MIKJYWIHIPUXPF-QGZVFWFLSA-N 434.474 0.389 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)C1CCCC1 815569055 FFYFKAKJDFUSIN-UHFFFAOYSA-N 433.490 0.763 50 20 ICGD COc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 831299731 UTESCTAVMLJOTH-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912922006 YPTSYFLSXDLLGY-IYBDPMFKSA-N 440.566 0.977 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)Cn2nc(C)cc2C)N2CCOCC2)cc1 915896419 DDJZVMCZJPTKBF-IBGZPJMESA-N 430.509 0.912 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCNS(C)(=O)=O)c2ccccc2c1=O 916294395 MYBUROPATZNBIG-UHFFFAOYSA-N 438.510 0.080 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCc1cccnc1N1CCOCC1 916399812 AKJRZSSKIKUQMT-UHFFFAOYSA-N 430.421 0.736 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 919805303 LFMCJEACTZCUHK-AWEZNQCLSA-N 433.446 0.852 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 919890052 ZENJQPCCAPFQGW-WULMZSPBSA-N 437.522 0.737 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(C(=O)OC)c1 920932052 SGMWXORQLZNDQZ-UHFFFAOYSA-N 439.388 0.702 50 20 ICGD O=C(NNC(=O)c1cnc2ncc(Br)cc2c1)N[C@H]1CCS(=O)(=O)C1 1320803158 CHLKCDPGOKMNNP-NSHDSACASA-N 428.268 0.523 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1C 1339308840 RVRNSEXANRHPOW-UHFFFAOYSA-N 439.515 0.902 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1780096908 LXKJDAFKOWWZTR-UWJYYQICSA-N 444.444 0.492 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1C 1780781419 ONGKPLBPRIYMLR-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1781351146 IARWJNJUEADEAG-RVZJWNSFSA-N 437.896 0.626 50 20 ICGD CC(=O)C[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782140690 QZKFOWJZNYLONN-YIFZBPKDSA-N 430.310 0.109 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1783741341 UTBWZQUXIAVRSW-HSZRJFAPSA-N 436.273 0.001 50 20 ICGD Cc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785127509 AFEVQYCBMUWZEU-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3C)[C@H]2C1 1786117841 FGNPXHGQZNIJRI-OKZIHNLASA-N 442.476 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)o1 1787779987 YFMOAFGKHXRYAE-QRTARXTBSA-N 432.669 0.520 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)o3)[C@H]2C1 1787783053 XSPUWKQTLIXBGD-PJODQICGSA-N 447.879 0.839 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791060270 AHLJSXRRPMKYQJ-QEOTZNIISA-N 445.402 0.385 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791183066 IIFXCCQOEOHGQT-AJNGGQMLSA-N 430.343 0.762 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cs1 1791287993 LWYMZFUQTFOSCX-XIRDDKMYSA-N 437.566 0.347 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293103 JBTVZTSKUIDTNT-AJNGGQMLSA-N 447.374 0.513 50 20 ICGD C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791440579 WZRWKOMWMDDXEH-SNRMKQJTSA-N 427.505 0.472 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCOC3)[C@H]2C1 1792213219 YSWXJRHOUCAOMU-WVIPKZCGSA-N 445.520 0.527 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1793654262 XYCAJPZQZZDLQS-FEJSZKPUSA-N 446.548 0.509 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794499150 VIRYLVKZBSPPQT-CRWXNKLISA-N 441.916 0.745 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794502627 FCSKBEWBPLDXQE-FVCICTRLSA-N 443.416 0.760 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794667784 GRGYITZJBWJARE-NGYDUSEUSA-N 440.460 0.471 50 20 ICGD CCCc1onc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734624 VFXHIEOPFZGSNI-CWPLJXCYSA-N 441.293 0.132 50 20 ICGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc(C)n1 1795738804 GTGZCKGYFPUBME-RMFSNUHRSA-N 437.305 0.149 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797364978 GIMDSWNPEIJZFK-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797889541 OCCWXSWZGGEIJH-LYIQGSDWSA-N 429.246 0.300 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CCl)C3)cn2[nH]cnc(=O)c12 1798459402 HERHGEZUTBPEJU-AGGWBTHJSA-N 435.912 0.799 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186957 VYHOBSOODCYGLJ-SIRPWMCASA-N 445.402 0.385 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)nc2nccn12 1799990427 WAGZOCDTXCOCSR-ZMJPVWNMSA-N 440.273 0.931 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)s1)C2 1800978399 DACPMZRQFCPFGT-IFOZYUSPSA-N 444.937 0.921 50 20 ICGD Cn1cccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)c1=O 1806295404 OWYQZBOWGDNTJN-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncn1 1808511343 QIPBZEUCQHSZIB-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1812778251 ITYWRDUHENQPBG-IPYPFGDCSA-N 426.315 0.929 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)no1 1814874154 YIGZSXXOPBMXPK-UONOGXRCSA-N 438.872 0.728 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)no1 1815872061 BYGQZSPIDZZBMU-CQSZACIVSA-N 432.485 0.709 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(O)no1 1819873913 YXEBOQCBUPTZMO-AWEZNQCLSA-N 425.210 0.403 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1822547537 AWEHHXFBFIZSKF-GOEBONIOSA-N 442.350 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(=O)n2C)CC1 1825740343 NDTJTOCXPFMXNN-GOSISDBHSA-N 445.564 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)CC3(O)CCC3)sc2C1 1827340606 FWBYSPKLDZHEIG-LLVKDONJSA-N 444.517 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008996 JRNKHZDYGNSAOR-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1830180392 VCWSHKQMMHSJCS-UNMCSNQZSA-N 441.381 0.942 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830369784 BLJAXMCIHFSOGV-FQEVSTJZSA-N 425.913 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833365810 HBARFRPXTDATEI-FXAWDEMLSA-N 440.928 0.471 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833762246 LTJYSGYFACORMD-HZPDHXFCSA-N 441.960 0.564 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331165 BMSLOVSPVCGSIF-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1834574841 PNKWIQPSTCSJIW-DNVCBOLYSA-N 427.885 0.068 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835063910 KMVVSFVTOMCCGH-YLJYHZDGSA-N 426.897 0.294 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CC3)CCO2)C1 1835217747 UZYBUIQUMPCWBM-VQYZLWMVSA-N 431.493 0.377 50 20 ICGD CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CCC1=O 1836713614 IDSBWXKWCTYBCE-INIZCTEOSA-N 428.917 0.193 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944369 KHSNHJCREMPHIR-YWZLYKJASA-N 436.896 0.887 50 20 ICGD COCCOCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837768531 DBKIUJWPZOYWTG-UHFFFAOYSA-N 442.557 0.021 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838760453 SIRPAOMBFFEHNE-AUUYWEPGSA-N 443.932 0.357 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)no1 1839150673 UNHAYZSPYVEGFJ-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839198477 FLLAQULBUAFSTB-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839967354 JXLIUWQNQZUAJE-YOEHRIQHSA-N 444.330 0.298 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840184877 DTPFUGQDMMHFDZ-HSZRJFAPSA-N 446.548 0.692 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840199613 GDPACDUWJQRSJG-RRQGHBQHSA-N 443.393 0.793 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@H]2O)C1 1841390871 BGTNWKNOCPUQMR-GHTZIAJQSA-N 428.533 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCc2ccc(F)nc2)C1 1842007749 CLYBEVNJWNSUFL-UHFFFAOYSA-N 426.452 0.669 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846646865 PJTWLRXIHHHTNG-LBPRGKRZSA-N 443.420 0.585 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCNC(=O)C2)cc1 726777688 DPVOXJVGSRUWNK-WJDWOHSUSA-N 436.472 0.690 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275934 SKIYFDGSIBQUTN-ZWNOBZJWSA-N 446.913 0.038 50 20 ICGD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 729301109 ZAVMQCVQDNNNLS-KRWDZBQOSA-N 429.502 0.714 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1nnc(O)c2ccccc12 730517435 WTXLVRFWQFXKSQ-OAHLLOKOSA-N 449.423 0.921 50 20 ICGD CN1/C(=C/C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 730569109 NQZKNGVXIJOQOD-VTHFHNTBSA-N 428.518 0.985 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2(C(N)=O)CC2)c1 731596129 VEZBEUJJFFLVKW-UHFFFAOYSA-N 432.458 0.523 50 20 ICGD NS(=O)(=O)c1ccc(F)c(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 734673279 KIRWRFMFMDAFMR-UHFFFAOYSA-N 448.436 0.509 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2ccc(C#N)cc2)CC1 735117277 FAQBJBFXJFQVEN-UHFFFAOYSA-N 428.518 0.965 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 741143948 BRXNFGWLZBBTAX-UHFFFAOYSA-N 442.523 0.069 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 741360803 LXXMZZKJQJRKMP-AWEZNQCLSA-N 439.538 0.762 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1OC 746326931 VKNZJVPNJKXYBY-UHFFFAOYSA-N 437.478 0.411 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746386269 MYSMFPBHIGGGGG-HNNXBMFYSA-N 435.550 0.584 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1N1CCNC1=O 747718243 WNEZXSXSWVRELL-UHFFFAOYSA-N 447.473 0.537 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O)c1 748968409 WDCUVIGNLWINFF-UHFFFAOYSA-N 448.567 0.484 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc(O)c(Cl)c1)OCO2 753840350 JGIUPKUIWLASQT-UHFFFAOYSA-N 435.776 0.961 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c(C)n1-c1ccccc1 756036925 KLKRYXMZTPNCSC-UHFFFAOYSA-N 430.490 0.567 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)Cn1cnc3ccccc31)C2=O 756862341 ASPFAAUGRALJDR-ZIAGYGMSSA-N 426.477 0.930 50 20 ICGD Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758681247 GHEUEOJBGDTEQT-QGZVFWFLSA-N 426.477 0.732 50 20 ICGD Cc1nc2ccnn2c(C)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 760590406 MVKZAWLRXFCOFH-OAHLLOKOSA-N 425.401 0.490 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763733771 HCYYMVWUQXXLHK-UHFFFAOYSA-N 439.472 0.859 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764162560 DSPCOXIBPSGZQI-UHFFFAOYSA-N 446.485 0.805 50 20 ICGD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231116 MQCWIAOPXZPQMI-GFCCVEGCSA-N 430.552 0.660 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)c3ccco3)CC2)cc1 765731778 BQGXUIQPGVQIFY-MRXNPFEDSA-N 434.518 0.845 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(C2CCCCC2)C1=O 765751024 GODWENNXKXVUDM-KRWDZBQOSA-N 429.525 0.957 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1OC 767898912 IAGNJSWQVJXHGB-UHFFFAOYSA-N 432.458 0.925 50 20 ICGD CCCOc1ccc2[nH]cc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)c2c1 768354258 GPOZHKZDWDRZLK-UHFFFAOYSA-N 430.490 0.992 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770102225 WTBQHPMENBIDJL-CQSZACIVSA-N 449.913 0.617 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 770395384 PZNXZAXIVOIIAL-UHFFFAOYSA-N 428.474 0.635 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C(=O)N1c1cnn(C)c1 770402250 ZWEUVOIZSXUHDV-MFKMUULPSA-N 442.484 0.841 50 20 ICGD O=C(CNC(=O)c1ccc(Br)cc1)NNc1nccc(N2CCOCC2)n1 771739901 UVUCTDPNASHCKD-UHFFFAOYSA-N 435.282 0.949 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2cccc(OCC(=O)NC)c2)c2ccccc2c1=O 772219120 DDYNHGZWPOVGIY-UHFFFAOYSA-N 437.456 0.545 50 20 ICGD CC1C[C@H](C(=O)NNC(=O)Cc2cccnc2)[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 775835909 CYIIJZFYGHXVCF-ROUUACIJSA-N 438.488 0.219 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccn1 777420590 VCAXSRJESGFBJR-UHFFFAOYSA-N 441.488 0.326 50 20 ICGD CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778443467 SQHNVHSWKMDFHT-GFCCVEGCSA-N 443.526 0.652 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NOC1CCCCC1 779694022 PTZBGLFVQRHTRG-UHFFFAOYSA-N 426.495 0.916 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3csnc3C)CC2)cc1 781345746 AKDOOEYZLZUYJO-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(Br)nc2)cc1-n1cnnn1 784809274 OLGUQSOZGKRLDA-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2nnnn2C2CC2)cc1 790715102 OUNHUHZYUPDKIQ-LBPRGKRZSA-N 436.498 0.029 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)c1 792030998 SKDHTMWAZWSKFY-SFHVURJKSA-N 437.416 0.634 50 20 ICGD COc1ccccc1-c1ncc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 793023687 DFJQTFMVSCXCAY-UHFFFAOYSA-N 448.443 0.050 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 796990357 BMGFOXIYEPSHCD-UHFFFAOYSA-N 429.389 0.428 50 20 ICGD Cn1c(=NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)sc2ccccc21 798304020 ZMBITQJHOAHERE-UHFFFAOYSA-N 447.542 0.970 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(OCCBr)cc1 799528817 JFKOYKTYCDZWHX-UHFFFAOYSA-N 446.279 0.793 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)nc21 800749566 WZNDLFGDLJHTQD-CMPLNLGQSA-N 440.530 0.631 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)cc1OC 801069108 UUAMCFKPZBYFAF-UHFFFAOYSA-N 428.511 0.898 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 806975290 SMNAFNHKRROEHD-ZDUSSCGKSA-N 446.435 0.755 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cn1C 808068472 APIHHHFBWXDJES-UHFFFAOYSA-N 439.446 0.411 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810316582 RIDLEKQXTBHGFP-SECBINFHSA-N 434.400 0.982 50 20 ICGD COC(=O)Cc1occc1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 810594049 RRYTYCQTNUPRNO-UHFFFAOYSA-N 428.489 0.882 50 20 ICGD Cc1c(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccn(C)n1 814410975 HPFAEJXNHPOLEX-UHFFFAOYSA-N 447.500 0.653 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)nnn1Cc1ccccc1F 815569259 MKDXXLRZRHHPHG-UHFFFAOYSA-N 442.407 0.644 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cncn2)nc1 861626711 UIRJEPSFOKPXRH-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 913229297 WRDOGPYYWPBDCO-TVNWYLLRSA-N 431.514 0.777 50 20 ICGD Cc1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 916507655 XQJIQFDLIDYPQA-UHFFFAOYSA-N 436.490 0.796 50 20 ICGD CCOc1ccc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916513415 ZJTWZLMMWMUECC-KQGZCTBQSA-N 435.458 0.548 50 20 ICGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 918399208 LKLMUSMOXJXCKF-HNNXBMFYSA-N 444.565 0.848 50 20 ICGD O=C(CSc1nncn1-c1cccc(Cl)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919890072 ZKESCQNOVYWTMU-NSHDSACASA-N 444.926 0.530 50 20 ICGD CN(C)N(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1330178456 WMZBIYIIGHEILT-JTQLQIEISA-N 440.341 0.202 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CCCCC3)C2)C1 1778208828 UGTAFXRFODXNTG-FQEVSTJZSA-N 433.484 0.801 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1779032614 OOVYNGHPWIQAAS-JOCHJYFZSA-N 438.488 0.259 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779364758 ZARDUKMCHBYCIV-ACJLOTCBSA-N 433.839 0.941 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326737 RZFAZPPWKUNTKK-IUODEOHRSA-N 435.225 0.916 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782955209 YCOGHDAKBDOAKM-IOASZLSFSA-N 437.356 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783844103 BJVVEJKWGKYXFH-CVDCTZTESA-N 444.532 0.583 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783966292 DETHBKWWKPLHBE-QXKUPLGCSA-N 442.358 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784899898 IDHAUAORYIMZOI-XSWJXKHESA-N 435.912 0.665 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)cn1 1787445574 JLTIOBNIGYETFZ-TUUVXOQKSA-N 447.916 0.754 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 1787507135 ZAUHDEJPYDPGLO-DZYDDEDGSA-N 428.449 0.402 50 20 ICGD COc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787716815 QTMFFQDZEBVABC-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790548600 WXOKEVXQIHHFID-GCLMUHHRSA-N 448.951 0.986 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 1792563556 BCWHRZLXUQFXSO-IWWZWCOKSA-N 431.493 0.279 50 20 ICGD COc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1792830705 RWWZIXRRAVEPIW-FCQWJQKHSA-N 446.548 0.761 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1792867714 KCNJPIQDPYOEHP-FAYQHZLMSA-N 427.343 0.973 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792891794 KSUYBJPKTRJHFR-IQNQJHAHSA-N 447.444 0.494 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1792989468 IZJHRPZWCFFWII-YFKTTZPYSA-N 426.248 0.380 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793456063 WPNRJYBDVNHDPU-OXIQGZBJSA-N 433.983 0.844 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCCC1 1794057896 KYYMLYOFBCPWNH-MUJYYYPQSA-N 442.520 0.340 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2)c1ccc(B(O)O)cc1 1795736647 BLQHURBLZQRPLX-IOTPTSGKSA-N 426.322 0.396 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796435981 LFBCDJVIZFCQBL-VPTLXERWSA-N 446.504 0.247 50 20 ICGD CC1=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CCO1 1796440679 XOWGRZZCGXTWMV-QRUVTEGNSA-N 429.477 0.404 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797221058 KBFWSTUOFLTVKD-QMHWVQJVSA-N 445.944 0.433 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797756468 KGIYFCFAZDVRKE-NRWUCQMLSA-N 435.388 0.091 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3ncccc13)C2 1798440417 NXMMLYLKOJCYFI-BTTYYORXSA-N 434.460 0.293 50 20 ICGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)on1 1798717954 OOWOWNMDJUPRCK-IVWMJMPLSA-N 442.476 0.314 50 20 ICGD C/C=C(/C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799098063 ZLNWBVKFDIDYIF-KOGGDLKSSA-N 443.548 0.888 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC=O 1800094965 HNTKKNAMQDNGFG-REBRKWNGSA-N 432.433 0.906 50 20 ICGD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332679 XOMDZMIDIXLADE-WGHFBVPUSA-N 432.427 0.597 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800642953 FOJQPHVEKIOIKA-XHJNMGKDSA-N 437.356 0.327 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1800973187 CEZMPXKTDAHQLO-FSDCSDTHSA-N 444.937 0.547 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3[nH]1)C2 1801011327 HMFXQQQOTNWELZ-USGNIVHTSA-N 445.495 0.883 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802125282 RYZQZENMRQFPPK-NPJQDHAYSA-N 443.928 0.092 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810359219 NQJMIVUUUXGYPF-PMUMKWKESA-N 431.320 0.542 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1813637999 DOKWSJPJJQQRFX-UTKZUKDTSA-N 431.537 0.766 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)[nH]1 1815350614 ZZKATGDCRRZOJG-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc[n+]([O-])c1 1816055958 SYOWKFBKOQOFJR-SFHVURJKSA-N 435.249 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](N)c2ccccn2)n[nH]1 1817336370 UQEOBQSKOZFSNS-OXQOHEQNSA-N 442.524 0.870 50 20 ICGD CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)COC1 1819791806 SCYNBSWCIRDIRI-SNVBAGLBSA-N 430.490 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)[nH]n1 1822410347 HTJQEPRHSGIZBG-AWEZNQCLSA-N 445.480 0.488 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)CCCN1 1822772801 WIOLPRZHHZMHTA-BIBXISHDSA-N 443.533 0.510 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccn(C)n2)CC1 1831871709 WPCHYVXNTACTON-LJQANCHMSA-N 432.569 0.955 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1832206431 PQIDCMYGCXUNNM-UZLBHIALSA-N 439.325 0.452 50 20 ICGD CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549097 DVLXHEROPMHIJT-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092526 PVXUPHJVYZBDFV-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cnn1C 1834818956 GHVGVOWDGFLUNI-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD Nc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)sc2nccnc12 1835877818 LBIZCNVPEIUOSU-DYVFJYSZSA-N 443.888 0.878 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)O)CC2)CC1 1838103282 XITBADQBCHUGMJ-FVQJWRHTSA-N 433.509 0.500 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838375959 RIIJBGFKHKSOTD-DLBZAZTESA-N 433.292 0.489 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)CC)CCO3)nn1 1839145667 BUZGBNHQFRJTFD-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561962 BOUIUXUWEMEEBL-XLIONFOSSA-N 436.896 0.658 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840030742 VHEPJNGGEWDKOI-FZKQIMNGSA-N 449.342 0.958 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187754 UORMOGPSTFSOIS-QGZVFWFLSA-N 444.275 0.309 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840200729 QXLSTARBTMTQSE-HEHGZKQESA-N 439.372 0.340 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc(C)c1O 1840674154 FCZXFPPBZGCPFT-JXFKEZNVSA-N 426.897 0.679 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc3cccnc3nc2O)C1 1845607048 JVPOZWIZDXLBHJ-UHFFFAOYSA-N 432.245 0.146 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846229601 NRVOJRCOCIEQPN-CKFHNAJUSA-N 445.944 0.550 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3554508 PTNIGAPITWVXTN-UHFFFAOYSA-N 436.515 0.724 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)n(C)c1 17405549 UZUUOEXSCIZQCX-UHFFFAOYSA-N 432.506 0.867 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 728203825 OQESQLSCVMDHTH-OAHLLOKOSA-N 437.526 0.088 50 20 ICGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 729340250 HGYIRQPEGGGJCQ-CYBMUJFWSA-N 437.478 0.029 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C1 731848426 JRWCBUWNEHKKCE-IKGGRYGDSA-N 440.589 0.157 50 20 ICGD CCOCCCn1c(NNC(=O)CCN2CCCS2(=O)=O)nc2ccccc2c1=O 733267171 ULJGTVLUQKGXSJ-UHFFFAOYSA-N 437.522 0.692 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cnn(-c2ccccc2)c1 733350394 WSGCFFDGCXJSPS-UHFFFAOYSA-N 425.493 0.467 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734240650 VYJRXNPFDNDBLU-UHFFFAOYSA-N 441.510 0.620 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 734242259 ZPWBDKGWRZCNDJ-UHFFFAOYSA-N 441.510 0.477 50 20 ICGD CCOCCCN1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1 734684987 CLZRWHSVYLSTEQ-HUUCEWRRSA-N 425.555 0.945 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cc(C(=O)OC)n(C)c2)cc1 745977535 YCCSRDDHLBURNY-LBPRGKRZSA-N 425.463 0.987 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995957 FRROKCFMTAUQNN-FCONWMNKSA-N 442.563 0.771 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 746121752 XXFOZSSZBZORQO-ZIAGYGMSSA-N 447.989 0.851 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)Cc2cn3ccccc3n2)C1=O 746545222 JGWUKTAYBRDOON-NRFANRHFSA-N 438.419 0.631 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1ccncc1 747323668 FXINCMKOVXQSRJ-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)C12CC3CC(CC(C3)C1)C2 750288465 JDZLTFHZWYLAIR-UHFFFAOYSA-N 425.511 0.641 50 20 ICGD C[C@]1(NNC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CCS(=O)(=O)C1 750664989 PCXFTPKEYZJGBB-SFHVURJKSA-N 437.547 0.954 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 751994065 KGJPNTQPJAOBII-UHFFFAOYSA-N 427.259 0.748 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nnc2ccccn12 756433537 PSOMKYUALOOBLX-UHFFFAOYSA-N 429.462 0.980 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(-n3ccnn3)c2)CC1 756773133 QIKWTGJKGQCRSZ-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CC(C)(C)OC(=O)[C@H]1CC(C(=O)NNc2ccc(C(N)=O)nn2)=NN1c1ccccc1 757403489 ADOHZIJWWDAQCB-OAHLLOKOSA-N 425.449 0.995 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 757764819 SROGOWDFEGHKFP-VIFPVBQESA-N 427.870 0.990 50 20 ICGD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758031262 VRMLCLJXVICBBW-UCLAKFIYSA-N 442.582 0.429 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ncsc2S(N)(=O)=O)cc1C 762950296 CPGPUTVOFBLWTP-UHFFFAOYSA-N 432.505 0.341 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 762963890 FNVJOTYPXHGIPR-NSHDSACASA-N 438.893 0.496 50 20 ICGD CCNC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763571355 MOEDVAHJYVLNRQ-INIZCTEOSA-N 427.417 0.754 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cn2)C[C@H](C)O1 763574570 FBPQGVWZIVUEGK-STQMWFEESA-N 446.439 0.058 50 20 ICGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 763718977 SLFZILALTVPBHE-UHFFFAOYSA-N 430.486 0.596 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cccc21 763784533 YVECXDLTHOQBIF-UHFFFAOYSA-N 448.526 0.959 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccn(-c2ncccc2F)n1 764004495 XURFWYQLVUNIAK-UHFFFAOYSA-N 426.364 0.577 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 767852070 BTJPOERXQABORJ-UHFFFAOYSA-N 441.492 0.174 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 768639777 WJKWWOLYVPXZEU-UHFFFAOYSA-N 448.461 0.938 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)n1 773725943 CESXZRVVQQIIHB-UHFFFAOYSA-N 433.432 0.998 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@@H](C)O)cc1 779540658 BYIDJSLJZHEHLG-QMTHXVAHSA-N 433.412 0.975 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCS(=O)(=O)C1 783427154 MFJJPLGPHPEHTG-OAQYLSRUSA-N 449.577 0.355 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003040 PAPZUNVYWPGNDI-ZDUSSCGKSA-N 429.433 0.021 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2nccn(C)c2=O)cc1I 785090038 LEAVDACYVRFUMK-UHFFFAOYSA-N 427.202 0.775 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 790784325 LXRPASMOURGWCX-IBGZPJMESA-N 436.472 0.180 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nc3ccccn3n2)o1 791261056 ZJZIWLHXOKJCQU-LBPRGKRZSA-N 448.461 0.795 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 795195296 HNQABUKLYSLONO-CQSZACIVSA-N 441.506 0.877 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)COC)cnn1-c1cc(F)c(OC)cc1F 797010000 ZGIPMWNOGYHUJF-UHFFFAOYSA-N 425.392 0.844 50 20 ICGD N#Cc1cccc(-n2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)n2)c1 798801011 PRJKCYGIWPFFCQ-LJQANCHMSA-N 447.407 0.888 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCN(CCS(N)(=O)=O)CC3)cc2C1 799857748 USPSIWRZOMDZPK-GFCCVEGCSA-N 429.568 0.133 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802763602 XLFTXFPISAHNBQ-INIZCTEOSA-N 447.536 0.753 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1OC 805751897 RTNCSJYUEASFMU-INCQDFKNSA-N 435.506 0.004 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)cc1Br 807958505 AGZSJKLMVCBFSQ-UHFFFAOYSA-N 446.308 0.574 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CC(F)(F)F)cc1OCC 810179147 IBUFOSKLGYZTEI-UHFFFAOYSA-N 427.401 0.862 50 20 ICGD COc1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 810191051 LFBVNSWRWIBVTI-UHFFFAOYSA-N 436.446 0.099 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccc(-n2cnnn2)cc1 811851612 KYFHGXSPPCZVAJ-LLVKDONJSA-N 440.386 0.407 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033201 JLZDLHGYZGZDJZ-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CCn2ncn(C)c2=O)nc2ccccc2c1=O 815604749 ZPOGBCXLTCZXKW-UHFFFAOYSA-N 429.481 0.640 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc(OC)c(OC)c1OC 815778391 OYQHBXVLGPHCEG-LLVKDONJSA-N 439.421 0.154 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1nnc(O)c2ccccc12 828103426 LWBDWZYUZLARIS-HUUCEWRRSA-N 425.426 0.801 50 20 ICGD CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1Cl 864231368 HHHLRAHBBSANLY-VIFPVBQESA-N 425.099 0.698 50 20 ICGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 906477743 DYHIYVDGMQGULW-QGZVFWFLSA-N 444.513 0.795 50 20 ICGD O=C(NNC(=O)c1cn2cccnc2n1)c1cccc(S(=O)(=O)N2CCCCC2)c1 916726675 UEWXUVCNKSRCBU-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD Cn1c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc2c(=O)n3ccccc3nc21 916844009 QALKQWWPVAPXEM-UHFFFAOYSA-N 429.396 0.910 50 20 ICGD O=C(NCC(F)(F)F)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917597785 QGSWUBMEZYQHCQ-UHFFFAOYSA-N 441.457 0.770 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 919810552 LDCSMZLGLCJLNZ-UHFFFAOYSA-N 438.531 0.772 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1320412242 AFKXPDRMRFBHER-GFCCVEGCSA-N 427.255 0.756 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1 1779031666 VJQYHVOKNJMUOW-QFIPXVFZSA-N 441.463 0.510 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)ccc2O)C1 1781145060 RSCDTAWLKMNAOT-XMSQKQJNSA-N 448.520 0.598 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1781334112 MITKKERCMGISJG-GRDNDAEWSA-N 435.338 0.143 50 20 ICGD Cc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1782647886 AVPCTJJFEFQNMJ-NFBKMPQASA-N 440.305 0.638 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)Br)C4)C3)(C1)C2 1783539488 KGCRDXZFAQAWML-GGKIJQQKSA-N 429.311 0.943 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933692 DHBOXTHIFXUSQO-HRAATJIYSA-N 432.525 0.085 50 20 ICGD CCc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984567 OUNNNARHMJUPDI-LRQRDZAKSA-N 437.305 0.231 50 20 ICGD CC(=O)N(C)CCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140339 NLQWEZDSGXJLRG-UHFFFAOYSA-N 437.305 0.983 50 20 ICGD O=C(CCn1ccnn1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143625 PKQYGXADTSCAIP-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)ncn1 1789922339 KROBXSVRNZYLBB-WTTBSCSTSA-N 445.245 0.459 50 20 ICGD C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975410 QUXBEDALTNYJPI-NPJQDHAYSA-N 445.944 0.645 50 20 ICGD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1OC 1792980482 QDORENKIIDQURR-ZFHGCVPZSA-N 426.897 0.815 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)C(C)(C)C 1793196674 JSMONVQVFRVFMT-LFHLZQBKSA-N 432.359 0.910 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1793248549 NXXKKRMTNLZFED-AICCOOGYSA-N 433.933 0.500 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1793879891 INERFPGEUBWUOW-DERJNBNXSA-N 445.944 0.479 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794588855 SCGKKZJNGHIGSY-OQMKEHIESA-N 426.311 0.762 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(F)c1 1795735739 BQUIRHPENKYEJD-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2)c1cccc(B(O)O)c1 1795737466 JPFUHMHOZVZQEW-FVCICTRLSA-N 434.710 0.598 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2)c1cccc(B(O)O)c1 1795739005 PPLHOQFRYKMTNK-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798461300 CMLRWEHKGQVIAH-APIJFGDWSA-N 438.492 0.228 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cc2NC1=O 1798580628 BKZVHJUCCYQXQX-GPAIFXABSA-N 437.880 0.209 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2CC(O)C2)[C@H]1c1cccnc1 1803044773 BLJWUWYCRKOQKQ-YHRBYZFPSA-N 438.488 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365694 YOIKUJMACLBOBG-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810563541 FFEUVPHANYDRQY-XMTFNYHQSA-N 440.928 0.492 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813068300 REKLZHDEFKMPCA-BAAGSCJXSA-N 441.912 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1 1813074669 VAFQYIBUKZSGAJ-KUHUBIRLSA-N 430.465 0.468 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1814094529 FUYWXNKPHLTAKZ-KFKMPVNJSA-N 437.261 0.112 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814227605 FPRMYYBJYBGFQG-YDHLFZDLSA-N 426.315 0.929 50 20 ICGD CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)COC1 1814556065 DAQCXIIEIQVTPJ-OAHLLOKOSA-N 427.465 0.751 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815347587 FPGPNNPQPWFABS-CQSZACIVSA-N 440.290 0.588 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817465170 SKMGKOZSLHFBDP-VXGBXAGGSA-N 434.844 0.046 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)nc1 1820252306 MQYAZBXNQJFQNI-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825998113 CGUKULXNECORFN-QWHCGFSZSA-N 437.714 0.303 50 20 ICGD CCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827132876 SASUVGOBAYFQKO-NSHDSACASA-N 432.506 0.794 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n[nH]1 1830539345 GJRSPSWLWRZYGE-SCLBCKFNSA-N 443.342 0.748 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731057 HKFZTMTXBBHDMH-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831737260 WFRPPGUZVGZNPK-BZNIZROVSA-N 429.271 0.036 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccccn1 1834126426 MDMOTQFOPOXZGR-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835079267 RCOWNVGKVNZSML-IUODEOHRSA-N 440.969 0.420 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352499 OLUBYXAZNPGGEX-MRXNPFEDSA-N 449.943 0.563 50 20 ICGD O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)NC1CC1 1837250265 OAHJCAGYMAVLAA-DDKKJVIOSA-N 444.326 0.063 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837676434 KBMZHLBSTLZVSL-JXFKEZNVSA-N 443.617 0.599 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838760456 SIRPAOMBFFEHNE-LIRRHRJNSA-N 443.932 0.357 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1838786287 NBQJINFXTLXJQC-BBRMVZONSA-N 428.921 0.487 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839197945 NRGYVPDWFOHGHJ-CJNGLKHVSA-N 447.261 0.373 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198947 PIXPBVFYQMMQMR-HOCLYGCPSA-N 438.294 0.002 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839964758 BSKVWRONPCCVDA-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841887622 ZAOSNUCBLPWOAY-OAQYLSRUSA-N 433.317 0.240 50 20 ICGD CCc1cc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)nn1C 1843416379 BEIXWFGWKDPHES-OEAKJJBVSA-N 425.493 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844690719 JPTUDYRUVCDRRS-UHFFFAOYSA-N 445.476 0.720 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847258850 KJCNHPSEOXDYHN-XFKUTXNWSA-N 430.494 0.529 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)C(C)(C)C)NC(=O)NCc1ccccc1 1847528692 YUCRDKGEALRCGA-BJLQDIEVSA-N 445.564 0.941 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557907 FPSRBHIWEJXFOL-YTFOTSKYSA-N 431.917 0.158 50 20 ICGD CCOc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)cn1 1848335601 ZNDGRPDVMRFNGQ-QVICEKFBSA-N 439.476 0.825 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1=O 10159841 FBQVRCMEWPPQLF-UHFFFAOYSA-N 448.439 0.536 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 728105593 HUULXSINDDMRFH-UHFFFAOYSA-N 448.457 0.635 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3ccc(F)cc3)cc2)CC1 728214939 VDTPKVFPUMSKTO-UHFFFAOYSA-N 449.508 0.635 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728343664 YSUNXVDRNSNFMF-QFBILLFUSA-N 439.424 0.495 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 732053862 YRULEBUZMCZDNN-UHFFFAOYSA-N 435.487 0.320 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cc(-c2ccccc2)on1 732054856 JNIWSYYDOMKTDE-SFHVURJKSA-N 441.488 0.816 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C 741647672 DSWRYECGCJEWOI-UHFFFAOYSA-N 426.472 0.808 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 744384863 QSGBSVCUOYEYRR-UHFFFAOYSA-N 427.483 0.095 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 745834099 KWIHZXBFRHVJCH-UHFFFAOYSA-N 442.313 0.088 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 748614757 SBWKIHVXDHNSAJ-OAHLLOKOSA-N 442.538 0.530 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 749955999 SRIYLZDGHWUORC-MRXNPFEDSA-N 437.503 0.301 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(C)c([N+](=O)[O-])c1 753839591 BLXQISQNQCUZPK-INIZCTEOSA-N 442.384 0.779 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnccn3)cc2)C[C@H](C)O1 755420821 DTHRULWQWSNZIO-STQMWFEESA-N 434.478 0.741 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763662362 XWSYSCHAUHYOIF-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD CCN(CC)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 763790503 JJQPRSMHCIYRLI-UHFFFAOYSA-N 437.460 0.574 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 763809176 KKVRWQYLGUBQGZ-UHFFFAOYSA-N 433.428 0.671 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763872768 OQTRIINFXUSSIM-VIFPVBQESA-N 442.400 0.166 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)o1 764138763 JNKOLAUUCMHBNI-UHFFFAOYSA-N 429.433 0.852 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)ccc1F 764377362 CLQWLRLBHBDCJD-UHFFFAOYSA-N 449.349 0.868 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc21 764393492 FVBUKJNZYYKIKS-UHFFFAOYSA-N 430.442 0.626 50 20 ICGD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764431542 CZMMRVNARYYDMW-OAHLLOKOSA-N 429.477 0.980 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccn1 778707086 LCJMMGKRNVIMNT-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004704 JWQOIDBKVWONES-LBPRGKRZSA-N 446.485 0.616 50 20 ICGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 789871326 GZRIDNHUEHKCIK-QGZVFWFLSA-N 428.474 0.642 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H](C)O1 790482710 BDYYWJQAMMWJOU-SOLBZPMBSA-N 425.551 0.852 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc(Cl)c1Cl 793451319 RBWMCSKSHYAGJB-SSDOTTSWSA-N 434.261 0.855 50 20 ICGD Cc1nc2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccnc2[nH]1 797786680 HHPIHMGFAFVMIR-UHFFFAOYSA-N 444.473 0.362 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)CC1 803179350 HUIFPMSGMMXYPI-UHFFFAOYSA-N 429.568 0.968 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)Cc3ccncc3)C2=O)c(OC)c1 806029263 RRYKSHBRFNDPFD-QGZVFWFLSA-N 427.461 0.773 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1C 814698665 NLSUHMGIKMMQNV-UHFFFAOYSA-N 434.474 0.671 50 20 ICGD COc1cccc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 916382074 MYTWKCKQWQRCNZ-UHFFFAOYSA-N 448.549 0.895 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916462331 LBAPVWKRBQYJBV-CQSZACIVSA-N 441.410 0.978 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2c1=O 933566217 JEWVPUWYVBDVQY-JOCHJYFZSA-N 448.439 0.162 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc2c1=O 1319631067 NUCPHTHLVAOKTF-INIZCTEOSA-N 448.483 0.926 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)n1 1781330202 TWHDAXKGWXSGHI-BBRMVZONSA-N 433.278 0.664 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335372 YIEBSFSPSSSXNO-BXKDBHETSA-N 444.183 0.958 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1781786575 DMYHBUVGTRCOFZ-QHCPKHFHSA-N 433.273 0.190 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782570253 HFCXNNGMLPBDAO-UGSOOPFHSA-N 425.848 0.566 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1783533819 JUEVPEQKCALNMT-SJCJKPOMSA-N 427.299 0.893 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)nc2N1 1784090640 JPNLCFUEMWRVQT-SDADXPQNSA-N 436.896 0.159 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3coc(Cl)n3)[C@H]2C1 1785674245 ITUZNXPCXQLQMV-XEGUGMAKSA-N 448.867 0.234 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786984831 ORKZKWIBTZXVOS-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1787514473 BFFZPULBYCRTTR-URLPEUOOSA-N 432.359 0.864 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 1788610530 XYKLJELAGZBMGQ-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(C)n1 1789109142 VDDBHFJPQMPBRK-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1792867689 JDAFNXHJLQHFNL-BTABJRDXSA-N 428.283 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2)[C@H](O)CCl 1792975306 NLAILYDJWJICBT-DMVWFOPNSA-N 439.921 0.252 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC1CCCC1 1793330427 SDVULYFWRAPTGH-HBCWATKFSA-N 447.561 0.564 50 20 ICGD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1794370444 SRJFDRVIJFCSPW-RVMXOQNASA-N 427.299 0.719 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CO[Si](C)(C)C)C2 1798472118 ZZNPMEILFAFHET-YVSFHVDLSA-N 428.558 0.971 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)c1cc(=O)n2[nH]cnc2n1 1800159637 VDRDPHGLYZXXMZ-NHRVJRKFSA-N 427.234 0.360 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800622814 SYJONYSELQIEEU-JWVYWZTKSA-N 438.289 0.037 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(n1)OCCO3)C2 1802332375 BCSFJVIPTDZFAC-QDMKHBRRSA-N 431.493 0.478 50 20 ICGD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803298413 SYJUFAKDAIJOKC-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1805920672 ZXDXYGSPAZKHGO-LAUBAEHRSA-N 441.536 0.991 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361975 JHMIDJFOPIJWNM-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)[nH]1 1807367069 XCZYXZNHXKILOG-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807370375 CBTKGTWLHYCJDX-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1810302512 LMFYNVHKHYKMJO-JEWRLFTDSA-N 438.488 0.171 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1813030720 FYZGMUKLXMTZHU-ZQIUZPCESA-N 435.916 0.674 50 20 ICGD CC[C@@H](NC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815307218 MQMUUCYQILETSM-ZWNOBZJWSA-N 431.522 0.365 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817472500 NBWUFTDNGFKYCE-QFBILLFUSA-N 439.325 0.737 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819509982 GKFMCQKSFMJRDO-KJEZJMDVSA-N 449.363 0.207 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1826312378 HBBWZQNSDSNEDE-SECBINFHSA-N 441.307 0.765 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826563133 BPSCBPZNGSPVBZ-IZPAUZPXSA-N 437.290 0.485 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925986 WCJZJDIGYAFBED-GOSISDBHSA-N 445.520 0.872 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926804 RZPRDQHMBAJXBU-QGZVFWFLSA-N 440.508 0.659 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829364465 PIHTYQYRTAAUQB-INIZCTEOSA-N 442.476 0.926 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725041 CYLLHHWQBUMILB-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1830768482 NNCIYKOHYYFPHC-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)CCC)CCO2 1831639722 VGEOLTUCOIJPDF-YCLSTDHLSA-N 427.929 0.709 50 20 ICGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1 1833053914 BFXYNIYMQBPFKU-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)c1cccc(B(O)O)c1 1834800075 PKHFJWMGZSOOQB-QGZVFWFLSA-N 425.697 0.086 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnn2ccncc12 1835403789 LYLPJIIJADLBGC-GOSISDBHSA-N 434.928 0.514 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 1836195215 LQNZONNZQXVBHO-OAHLLOKOSA-N 427.889 0.708 50 20 ICGD O=C(Cn1ccccc1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716724 LVVXUMYTSSKSNR-KRWDZBQOSA-N 425.913 0.447 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837549524 YFXCDUYHSDAPTG-LIRRHRJNSA-N 442.900 0.187 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1837919481 WZPJXYOASIAELC-HXUWFJFHSA-N 430.310 0.158 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1838046806 QIWWPMAEVFPDGF-FZKQIMNGSA-N 443.342 0.836 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838430895 GMUCDYDNNUPSDP-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839151196 KOLIYGNEBBMQFK-MSOLQXFVSA-N 433.288 0.946 50 20 ICGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839806701 BSKWKOQTZLUZCK-LIRRHRJNSA-N 429.901 0.208 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1839963668 RJBUQMDWGSXOOP-DYVFJYSZSA-N 435.315 0.570 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840151292 YBRHAMRVDJRNOV-FXAWDEMLSA-N 443.903 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840151530 FPXNFHODAHFGFK-QKLQHJQFSA-N 440.928 0.182 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1840151820 OHHXQRFOCWRTSW-NQIIRXRSSA-N 440.924 0.913 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840156133 OHLQYJLAMOYJIE-KUHUBIRLSA-N 449.932 0.221 50 20 ICGD Cc1cccc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185484 RQBJCOGRYPJDGD-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CC1 1841350256 RBKYCSRNRUEDET-CQSZACIVSA-N 445.944 0.552 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841390872 BGTNWKNOCPUQMR-NQIIRXRSSA-N 428.533 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2COc3ccccc3O2)C1 1841898035 ZXHBLBCEQSYJEV-SFHVURJKSA-N 437.456 0.342 50 20 ICGD Cn1c(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc2ccccc21 1843010302 AWGAVNURQXWLFA-UHFFFAOYSA-N 431.301 0.918 50 20 ICGD C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)NC(=O)OC(C)(C)C 1843010969 AQTCANYWUZDYKQ-OAHLLOKOSA-N 445.325 0.487 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014471 MZEQQZHGXFMVKY-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)s1 1845000925 KNPZVOSQOYYUAG-UHFFFAOYSA-N 436.534 0.654 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 16785851 UPFQZLSWSUOHMZ-HNNXBMFYSA-N 440.481 0.641 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 26736475 DMPONDLEXSHSHY-UHFFFAOYSA-N 444.400 0.945 50 20 ICGD CCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 104560014 DSSWHTBQVVRPPT-GOSISDBHSA-N 430.413 0.995 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 728177529 AUEOGEXJFYSEGG-ZBFHGGJFSA-N 447.554 0.719 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 728369644 KPFCRTWSACHBTF-LBPRGKRZSA-N 435.499 0.052 50 20 ICGD COc1ccc(Br)c(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c1 728431425 RJRYCDNSSIBZGH-UHFFFAOYSA-N 435.238 0.908 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1OCC(=O)O 728854128 MTXYLLKYILUDGH-UHFFFAOYSA-N 449.489 0.475 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672289 FIJUPGNYGPHJLI-UHFFFAOYSA-N 425.536 0.419 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 734241073 BSUHSAKJKIQKLH-AWEZNQCLSA-N 426.518 0.769 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734241549 QBGYQJRHXZMSEF-UHFFFAOYSA-N 443.526 0.842 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c2ccccc2c1=O 734283159 FZMFKZFBXBHMQP-OAHLLOKOSA-N 441.536 0.529 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3c(nc2O)CCC3)CC1 735117356 SHBDQZFXSBVRCI-UHFFFAOYSA-N 432.506 0.364 50 20 ICGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 739034837 NYGNIGDQMOEZHD-CYBMUJFWSA-N 436.542 0.447 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCn3c(nnc3C(F)(F)F)C2)cc1OC 739936296 LYJIZGISSWCTLI-UHFFFAOYSA-N 428.371 0.591 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 740852297 UNCKJQGITUMDOL-UHFFFAOYSA-N 428.486 0.676 50 20 ICGD Cc1ncsc1C=NNC(=O)C[C@H](C(=O)NN=Cc1scnc1C)N1CCOCC1 743441878 PZBPRMQLCWKSAX-CQSZACIVSA-N 449.562 0.908 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1Br 743605311 RWWZBIVXQUSABS-UHFFFAOYSA-N 435.300 0.389 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 743828567 SQXZIMMZHQXGSB-AWEZNQCLSA-N 436.494 0.071 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1Cl 743834154 SSNUYRLQGHBTMJ-UHFFFAOYSA-N 431.858 0.810 50 20 ICGD Cc1ccc(-n2[nH]c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2=O)cc1 746094560 ZIOPRPNNCJSPII-UHFFFAOYSA-N 443.485 0.799 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(OC)c2O)cc1 756784429 NDHGOGYOLSWJCG-UHFFFAOYSA-N 438.462 0.792 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 757656812 OJPRSSXNYCJXCU-NSHDSACASA-N 425.442 0.126 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 758048731 UZCYPJPDCAPJFM-CNFOOLDZSA-N 425.511 0.304 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)Cn1ccc2ccccc21 759787658 SYKCAUVMRUHDPT-UHFFFAOYSA-N 428.470 0.797 50 20 ICGD COC(=O)c1cn([C@@H]2CCN(CC(=O)NNC(=O)c3cc(Cl)ccc3OC)C2)nn1 760868891 KUFKKFKFGDPCBD-GFCCVEGCSA-N 436.856 0.435 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763538642 FQUOAXZIXXEYEL-UHFFFAOYSA-N 437.430 0.960 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 763550663 JINSAZUQLABWBQ-UHFFFAOYSA-N 427.417 0.294 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)n2)cc1 763678294 CGVRNGOEJILJQJ-UHFFFAOYSA-N 437.391 0.502 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c(F)cccc2F)cc1 763731963 CAFYCLAOGZFBOM-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 763810792 BKUVGALXKKGBFT-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1F 763812187 FLIKDTGEKJAVMY-UHFFFAOYSA-N 438.379 0.146 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc(Br)c1=O 764350141 YWJXARFRMNQNQX-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD CC(C)c1ccc(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729491 XIFWPEPASQPINW-UHFFFAOYSA-N 444.517 0.497 50 20 ICGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 766640343 DLZVVRXCIXTHEX-UHFFFAOYSA-N 441.488 0.637 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)nc3ccccc23)n(C)c1=O 766646047 WJKRYVDFVHJQCT-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)nccc12 768462066 IQWXHAWEUPLVOQ-OAHLLOKOSA-N 428.426 0.483 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 770531891 RBKLVGUUQGOFQK-LLVKDONJSA-N 445.885 0.545 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 771932942 COKTUKHHMQALTK-KGLIPLIRSA-N 433.461 0.936 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2cc(Cl)nc(N)n2)cc1 773863956 QSBGEDJHSYVZPI-UHFFFAOYSA-N 428.858 0.311 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1 773889437 QYBBAQNGCFQPBB-UHFFFAOYSA-N 444.419 0.366 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cnc3ccccc3n2)c1 774789908 QFDSAOOVXCMHBH-UHFFFAOYSA-N 430.490 0.965 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)nc2ccccc21 782885185 FTFPRFKLIRGMJD-UHFFFAOYSA-N 434.456 0.794 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1S(=O)(=O)N(C)C 783325125 TWYGNSQGUOAYAH-UHFFFAOYSA-N 436.494 0.824 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 797369461 YHPWIWQKXGWLBP-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 798118285 NEHYQBURADENSB-UHFFFAOYSA-N 449.464 0.727 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 801005274 AEZHWTTWTVQENN-MRXNPFEDSA-N 427.461 0.574 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c1 806977613 RAMMMYAIQJACMG-UHFFFAOYSA-N 428.445 0.400 50 20 ICGD COC[C@]1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 807554050 PWAQSSMNUJBTHC-ZWKOTPCHSA-N 434.559 0.784 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)n1 815574245 JNHFDRXJZCYKCQ-UHFFFAOYSA-N 430.400 0.685 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2F)n1 815692118 JOORKJAFCMXFCW-ZDUSSCGKSA-N 440.439 0.568 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n2nnnc2C)c1 818011730 ARSTXLJRAMHAOD-QMDZLVRISA-N 436.428 0.976 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 915897157 XMGIPPSYENVPGJ-INIZCTEOSA-N 437.522 0.842 50 20 ICGD CC(C)COCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916208884 YZYKQQNGYKIWSJ-UHFFFAOYSA-N 442.538 0.714 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 919690839 VMUVFZKTOWAFPY-UHFFFAOYSA-N 441.488 0.848 50 20 ICGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)Cn1cccn1 919778910 LMBZCKLSOYZWJO-HNNXBMFYSA-N 436.542 0.177 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 920827263 RWZJZUGLPHIRFP-UHFFFAOYSA-N 434.452 0.909 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 921301805 LDVCCERLFJMCSH-ZDUSSCGKSA-N 428.511 0.676 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2c1=O 1116306705 HUUNXAPADKRMPV-SJORKVTESA-N 428.493 0.255 50 20 ICGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1338408716 SBJZBIJRSIXWTK-IBGZPJMESA-N 446.529 0.647 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2 1778091906 YGMABUBBBGQQHF-YNLGCBRQSA-N 445.520 0.405 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3Cl)CCO2)C1 1779032330 NGKOQSLTKMSBFQ-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811581 VJUJCNHZRPJWGA-NFCNUSAFSA-N 442.451 0.798 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3oncc3C)C2)C1 1779934791 YZNKFQWJUIYYSV-BTVXTAIASA-N 428.449 0.561 50 20 ICGD CC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095229 KWCNXZOTJOGBFF-OXQOHEQNSA-N 435.433 0.735 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782208160 FZPXLYAJYYQZRM-QIZIZJAASA-N 449.342 0.900 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933578 RBZKENNAOPSYKH-NRFANRHFSA-N 435.525 0.427 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1783935849 XHHWCUIVOUGISL-SFHVURJKSA-N 428.440 0.095 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)NCc1ccco1 1784090921 FIYUBQOYUODXMG-OQSFXPJBSA-N 439.896 0.031 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785670229 FKKKQRLWCPZNLR-PCCDRTMGSA-N 444.536 0.436 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Cl)c3)[C@H]2C1 1786042003 AJGDGFOHCKFSAY-JYJNAYRXSA-N 437.928 0.701 50 20 ICGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21)C(=O)O 1786893664 DWAQFORJLOACHS-QMVSFRDZSA-N 434.331 0.060 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 1787508063 BLTYANKBDWSBJZ-WVIPKZCGSA-N 445.520 0.527 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1790585801 NVXIRQKOOBVDEY-YOPIWALVSA-N 426.876 0.714 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791252320 GMRAVXFOPDXBAX-MXAVVETBSA-N 429.861 0.025 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1792867749 GRNDZJRDKHRNLT-QIRZIZBZSA-N 445.383 0.634 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1792868011 NKEXMYYCPYRNJK-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793392335 QQNZKRGWEMFHFO-AZFUGPKFSA-N 433.509 0.117 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc(-c2ccccn2)nc1 1794257218 DMBLVFPHQAQIIJ-FSDCSDTHSA-N 431.880 0.342 50 20 ICGD Cc1nnc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)s1 1794378437 RHIWFOZMALWTRN-BJWYYQGGSA-N 428.323 0.411 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCO1)C2 1796440476 XWDNZZHQHJEKDS-IWWZWCOKSA-N 431.493 0.279 50 20 ICGD N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797753622 CCUYQXXOMIOIOV-XEMDLRDOSA-N 448.483 0.268 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c(F)cccc1F 1798985441 ZFGVCMPUTKHYLJ-GFENJXEQSA-N 438.475 0.470 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1[N+](=O)[O-] 1799328202 IFILLGVBFBRPSL-KPEUIFRASA-N 425.869 0.635 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799354323 GQACBYZNOSEDOI-NDKCEZKHSA-N 437.896 0.386 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(F)c(OC)c1F 1799737154 CQBXAWIBLCFDLJ-DXCMXYRUSA-N 448.850 0.785 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1800285195 YAVLRMXTIVDDMV-DDFAGTSDSA-N 433.248 0.150 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800643001 IUCQHXWIWGYECJ-AZKPJATDSA-N 443.298 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2 1801014164 JEAUDHREASMLHU-HATOLVCRSA-N 428.533 0.364 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)cc(F)c1F 1801768828 BBWGHWUVVDVFNE-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC3(CC1)OCCO3)C2 1802338624 UZPIGURKOYHCHY-BCDXTJNWSA-N 436.553 0.931 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1806766427 MRJBUWODKKCKAL-CJNGLKHVSA-N 432.340 0.917 50 20 ICGD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1807362532 LDXJQIHXRYNLKE-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1813034271 GCFCJPQKVVHZQO-JTDSTZFVSA-N 433.896 0.598 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070119 FTNKBFHYCCMKDT-DYESRHJHSA-N 441.536 0.991 50 20 ICGD COc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)cn1 1816611962 GTWHPXMHZFGLGZ-OAHLLOKOSA-N 444.496 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1 1819289752 BZDBSDDIJJHTPO-LBPRGKRZSA-N 445.549 0.885 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)no1)CC2 1819797924 OOOBNHLHNHIKEK-MRVPVSSYSA-N 443.445 0.375 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1822371786 ZRKIBMSXNYRTGL-GOEBONIOSA-N 426.949 0.903 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1822410719 REKARNNFIYZFMI-MRXNPFEDSA-N 428.497 0.808 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1822548133 HMOKDMQNMATNOU-ZBFHGGJFSA-N 442.350 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)CC2 1826082803 CZQAWJJTCAWRRA-MEDUHNTESA-N 425.555 0.835 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719758 JQLKXCXTKFWLTP-XLIONFOSSA-N 427.929 0.620 50 20 ICGD O=C(c1ccc2cnccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728574 VHIMZCZWUVJGOS-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832048287 ALKCPTOXENUINZ-BIENJYKASA-N 449.907 0.987 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832116914 INDMNIFIIOTMIF-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833196223 OFMGPUMUSQWTCG-MAUKXSAKSA-N 443.342 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cncnc3)CC2)CC1 1834238233 ZTGAYCCRQMTACC-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cnn1C 1834426133 PTDPRXMBGBYESK-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834872822 WOSUPJQNPMCOFN-HNNXBMFYSA-N 431.310 0.540 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1835707246 XQLKZTBZGIQWOT-AYOQOUSVSA-N 445.347 0.774 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835972531 YSSZXHZRRUSLKF-MRXNPFEDSA-N 449.733 0.778 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000150 YLIPNXKBJWHCQJ-KBXCAEBGSA-N 442.310 0.088 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1)C(C)C 1837224684 XHOGESAKTPWNJH-YEWWUXTCSA-N 449.342 0.814 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839145246 ALTGHLVHPJQYGW-DOXZYTNZSA-N 425.917 0.751 50 20 ICGD O=C(c1cncc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202823 QVOYEVUWOJDKSL-BBRMVZONSA-N 432.246 0.548 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839780136 AGCPIABIASPMGP-MPGHIAIKSA-N 436.958 0.428 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030463 NACRLZUTCFEKCD-QEORTHHSSA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840031785 CAULQWBVOHWBAI-KBXCAEBGSA-N 445.358 0.508 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1840154246 QJNMCWRNHKFRPC-DNVCBOLYSA-N 428.917 0.788 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c2c1CCC2 1840188347 FLQMSTSXXNIFTJ-GOSISDBHSA-N 431.320 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840427669 NHYMSYFEHSSLBI-GUXCAODWSA-N 441.912 0.559 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3c(Cl)cccn23)C1 1843209161 GTZMVPSROIYGLT-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1844692083 DUBPVTCTSHTEMY-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD COC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C)c1ccccc1 1847450725 LCPMWDSKXLEZLK-ABSDTBQOSA-N 445.520 0.659 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)[C@@H](O)C1 1847565762 XFEDRDKYNMGWIK-LXFSFDBISA-N 431.917 0.016 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848098572 JLYARNXAWGGHPF-MXAVVETBSA-N 430.933 0.845 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 16094816 LUUVXCACIOZGCS-UHFFFAOYSA-N 443.503 0.577 50 20 ICGD C/C=C/C=C\C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 96983246 MYVHYFIQJYEOSB-FMVMLBDOSA-N 436.472 0.708 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNC(=O)c1ccccc1OC(F)F 725902878 WHEYIJVTWHGWAY-UHFFFAOYSA-N 426.401 0.657 50 20 ICGD COCC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726261764 URMRPVKKUPVMCT-OAHLLOKOSA-N 442.538 0.396 50 20 ICGD O=Cc1ccc(OCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728328888 NPQFQCYEFPLIDT-SFHVURJKSA-N 428.397 0.799 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 729283392 PHFAEIKAUPFQKS-JTDSTZFVSA-N 441.440 0.746 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C[C@@H](C)O1 732262218 SAUKLHRIPCMOEC-GASCZTMLSA-N 438.550 0.635 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O 732996632 GEVQSSFMHVIKCU-HNNXBMFYSA-N 434.430 0.915 50 20 ICGD O=C(NCc1ccnc(OC2CCOCC2)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 733336051 IMOZBCOTNLMVHT-UHFFFAOYSA-N 438.448 0.759 50 20 ICGD Cn1c(CC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)nc2ccccc21 743845419 PJZAWLGEPWPXIM-UHFFFAOYSA-N 444.451 0.901 50 20 ICGD COc1cc(OC)cc([C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)c2nccn2C)c1 748445302 QCSKNENAIUIUTO-INIZCTEOSA-N 430.465 0.480 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2O)cc(OC)c1OC 751203098 PXKCVBFFMJVVSG-UHFFFAOYSA-N 426.403 0.740 50 20 ICGD O=C(CO)NNC(=O)CCCc1nnc(-c2ccccc2I)o1 753438254 COQZURJWPIDWAI-UHFFFAOYSA-N 430.202 0.804 50 20 ICGD CCn1ccnc1C=NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 755553191 BDNDKVRHIBSARA-UHFFFAOYSA-N 448.487 0.795 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 756640794 PKBCOJKEAOZQJT-UHFFFAOYSA-N 430.446 0.953 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 756776854 STDZYNVSXHDHQD-UHFFFAOYSA-N 432.462 0.947 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)c2ccccc2F)CC1 763562383 QPENMANEBOZATG-UHFFFAOYSA-N 427.436 0.613 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 763570775 FYVPIAPPTSANSG-QGZVFWFLSA-N 442.403 0.878 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCCC[C@@H]1N1CCOCC1 763607238 CSHUFRWATBDHHP-ROUUACIJSA-N 431.541 0.667 50 20 ICGD CS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763746470 XOYVFUWXLJICCP-UHFFFAOYSA-N 430.486 0.629 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 763754286 OWDJSMBBAWNKGI-UHFFFAOYSA-N 445.501 0.692 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763811760 MIYCKXSGGFBYIO-UHFFFAOYSA-N 442.428 0.063 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1N1CCCS1(=O)=O 764026336 YDHNWCVESSZIQV-UHFFFAOYSA-N 436.515 0.925 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764178499 BKVXCFJYTXNVJS-UHFFFAOYSA-N 432.477 0.590 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 764304402 ZHHBCVHNOPUDFH-UHFFFAOYSA-N 426.495 0.292 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 764513327 HYRJGJPDSKCVGF-YVEFUNNKSA-N 430.442 0.212 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 765591783 AJJSZNMYLDFJNF-UHFFFAOYSA-N 445.457 0.816 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1cc(Br)cn1 766649118 ZNYUWXBQYXKSQF-UHFFFAOYSA-N 449.309 0.251 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 766829624 NOIFZCMHDSKIOX-UHFFFAOYSA-N 430.530 0.691 50 20 ICGD COc1c(F)cc(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1S(N)(=O)=O 772015430 FYEAYDBYIYWGGF-JTQLQIEISA-N 433.458 0.149 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)c1 773074271 XIIDPIITKUVTBB-UHFFFAOYSA-N 433.490 0.786 50 20 ICGD CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 776068255 ADGSSQYLUBIWHP-IAOVAPTHSA-N 440.570 0.703 50 20 ICGD CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc21 777779210 FZRIIFYVRCZCDR-UHFFFAOYSA-N 445.339 0.649 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 781378403 IRXVPRIVWQMEPF-HUUCEWRRSA-N 440.570 0.968 50 20 ICGD Cc1cc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc(C)n1 783326985 SLKFCLUUZVAPTC-KRWDZBQOSA-N 440.460 0.190 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(Br)n1 784004576 YFSMOVUDWKIBFN-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785067242 JEBQXSCRAKJZLH-UHFFFAOYSA-N 445.439 0.627 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cccc1N1CCNC1=O 787543552 YJLVNIDRVNAKEM-UHFFFAOYSA-N 425.445 0.949 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1C 789939909 QZNBDXQLJZSBTC-BTYIYWSLSA-N 446.504 0.834 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 802024492 GHUHVUZHVVWGIL-UHFFFAOYSA-N 438.897 0.806 50 20 ICGD CS(=O)(=O)C1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCC1 805405252 GMTZPOKTQKZENG-UHFFFAOYSA-N 426.495 0.601 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 806973925 NYRIMORADKCKMM-UHFFFAOYSA-N 447.245 0.857 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 810585583 ZTBOOMUKWNBJMY-UHFFFAOYSA-N 430.471 0.749 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 815568814 VTDFIHRIHGYPQF-UHFFFAOYSA-N 425.405 0.305 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cccc1OCC(F)(F)F 815690957 ATJFFPDSVQGAGT-NSHDSACASA-N 440.382 0.876 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 873984172 YEQBJHADQUQIAO-UHFFFAOYSA-N 428.488 0.877 50 20 ICGD COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 913263484 CZCVVLJUVAWFPC-RLGUWMIQSA-N 447.513 0.477 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 915165483 DMBUAQZXCTZSRG-UHFFFAOYSA-N 430.442 0.217 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 916249653 DFCNHAPOXAZBPJ-GASCZTMLSA-N 441.554 0.380 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267198 KFBRSYQYSKGJJT-INIZCTEOSA-N 445.499 0.926 50 20 ICGD CCC(C)=NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 916333776 VCADZUUGJAOSOB-UHFFFAOYSA-N 426.477 0.957 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc(Cl)nc1 917249007 LBHJVZPGFHVBPL-UHFFFAOYSA-N 440.865 0.636 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 918111652 AMERFQLNCXSUNQ-INIZCTEOSA-N 428.470 0.766 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=S)NCCc2cccs2)cc1 1338719708 IDYXMCGTDSKNCC-GFCCVEGCSA-N 442.588 0.759 50 20 ICGD O=C(NNC(=O)N1CCC(N2CCCNC2=O)CC1)C1CCN(c2ncccn2)CC1 1340915425 MEHQALCWXXBBHL-UHFFFAOYSA-N 430.513 0.314 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778063110 ADQLYDZWVYUJHP-PSTGCABASA-N 429.861 0.699 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1779032597 NVGLHYANYSPBTR-HXUWFJFHSA-N 446.414 0.116 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCC=CO1 1779342189 JIYJWSMUVZLLSZ-NNMXDRDESA-N 428.294 0.187 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1)C2 1782212304 QGKGGTJNEXBMDY-XMSQKQJNSA-N 432.521 0.893 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccc(O)cc1 1783935661 WKQPRZGHLCYPOD-ZHRRBRCNSA-N 432.521 0.699 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945274 FVKYAUJFXHJADB-OAHLLOKOSA-N 437.305 0.085 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1C(F)(F)F 1787643279 ZTDIXWREUQDAMO-BJDJZHNGSA-N 438.834 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C[C@@H]21 1788609739 FNZBGQJVFFIIFH-BLYMFVFMSA-N 443.529 0.154 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1790964095 SOSPOMJHSFJOLM-HTOAHKCRSA-N 429.319 0.387 50 20 ICGD Cc1ccc(C(=O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1791174560 UNPODIVIKIPXDU-FHWLQOOXSA-N 444.532 0.530 50 20 ICGD O=C(C(Cl)Cl)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730822 JWCAYJGCXMLZGQ-KVSKUHBBSA-N 425.162 0.735 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795733025 YPTGZWSZYVQAQO-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc2ccccc12 1796889110 LYAICHPYNLEAEW-USGNIVHTSA-N 440.504 0.206 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2 1797756846 MKUDGSFHQCHPFA-URCVVBJGSA-N 449.458 0.634 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@H]1CCCCO1 1797800885 JNBGVNBAZTVRAG-VZJWBNGJSA-N 442.582 0.209 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1799220563 DBTKCMGDCQMHND-QDMKHBRRSA-N 435.433 0.781 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c(O)c1 1799573733 XEUCHXTYJYGZKZ-BTTYYORXSA-N 439.472 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(OC)c1)C2 1800973565 FRTCNPCABDQYIK-LORHWOILSA-N 425.913 0.866 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2 1800974474 VJHZCHRGVWISDT-PEZLKRJXSA-N 426.897 0.572 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802209653 ARYUYDUVVCKRRO-URCVVBJGSA-N 449.458 0.634 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)n1 1803139503 QFEJRTPTADCABB-NJAFHUGGSA-N 435.912 0.844 50 20 ICGD CN1CCC(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CC1 1805004291 JSLVYOKKRRIUIH-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806772086 OTEDEJMPSKQAPN-LNSITVRQSA-N 432.340 0.915 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)nn1C 1807365587 YYSFQDOHULGEAB-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808246801 PHVPUUGOYILAKR-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)[nH]1 1813068106 IILCOPWLAXIVDC-UZLBHIALSA-N 427.509 0.806 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)c1ccc(B(O)O)cc1 1817471611 SYOWELZYEGTDSF-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)n1 1819402007 IKTYCPSBMIZNFV-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1828950761 NQJDLQIKQUDAFN-SQNIBIBYSA-N 446.928 0.701 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830537333 DHKPJKPWTFQJJF-BDJLRTHQSA-N 431.287 0.216 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1832295697 OSFAGLZMTIKJIZ-IBGZPJMESA-N 429.590 0.163 50 20 ICGD C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800090 VKBSIHSTYZQISM-UHFFFAOYSA-N 445.394 0.471 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835079645 KNAWSMPVOKSURB-LEWSCRJBSA-N 447.964 0.895 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837485778 PTEHNIRSMVZUTI-SJCJKPOMSA-N 432.308 0.537 50 20 ICGD Cc1ncoc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837526947 ZWWRDDLUHYRFFZ-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426542 YQIDYUDADVPUKW-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839155415 SYAAUIMPSMYDPI-DLBZAZTESA-N 437.320 0.632 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198267 AWLCYGAMAMCRFJ-XJKCOSOUSA-N 438.294 0.048 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059676 MGBAMAPKTZUPSU-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840151506 FEMJIUUXLWRDEB-MGPUTAFESA-N 441.912 0.877 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840152778 STDQDKWOASMOEB-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1840155624 FUDYJWAGBUCLOT-MMOPVJDHSA-N 439.940 0.970 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1841923946 HLZAINTYIJGWMF-RYUDHWBXSA-N 430.889 0.430 50 20 ICGD COc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1F 1848347766 YAXYPSLQYXBOOV-HOTGVXAUSA-N 428.424 0.357 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 28798947 HJRUVYFIILBIGT-VAWYXSNFSA-N 431.470 0.890 50 20 ICGD CN1N=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCC1=O 45574512 HANBOJBABBTZJP-UHFFFAOYSA-N 443.485 0.534 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 726075449 GDPVAPNTGNTAFQ-UHFFFAOYSA-N 445.567 0.187 50 20 ICGD O=C(Cc1cc2c(cc1Br)OCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728389147 NTUJROMSCQHSJS-SECBINFHSA-N 433.280 0.345 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)NC2(CCCC2)C1=O 728847060 ZTMKAOBRAQJAKJ-CYBMUJFWSA-N 429.481 0.094 50 20 ICGD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 729172430 WTVABMHFVGAUHP-HNNXBMFYSA-N 445.563 0.693 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3scnc3C)CC2)cc1 729453347 SSBTVYFVTXPRRT-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 732054928 NKXJQKAKALIUCC-INIZCTEOSA-N 438.912 0.823 50 20 ICGD O=C(NNc1cnccn1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 734245199 LXWDWTYEIHCTTN-UHFFFAOYSA-N 430.446 0.508 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742039948 WZTDRJCPBOPBPB-JTQLQIEISA-N 443.913 0.827 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Br)s1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746100268 IGZRDYVOUDDBIV-RDOUZSHTSA-N 442.291 0.823 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1=O 746782893 ZEFZSCIYSVMFDT-CYBMUJFWSA-N 434.478 0.484 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1cccc(C(F)(F)F)c1 750275777 KCVGMWMLAASOOL-UHFFFAOYSA-N 435.384 0.757 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 751298689 VIQZQNUPFNBTQH-UHFFFAOYSA-N 433.490 0.617 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2O1 751538659 NHKMIRVBQUERAE-KRWDZBQOSA-N 434.426 0.905 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)nc1 753278784 HKEOERHGZAYNND-UHFFFAOYSA-N 428.405 0.999 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 755286093 JXAGRVVFNUMDTO-HNNXBMFYSA-N 436.450 0.251 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ncc(Br)s1 756879292 IJBOHNZKCOJTCA-UHFFFAOYSA-N 433.313 0.331 50 20 ICGD CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1Cl 757725510 QUQHFPXORIEPEP-UHFFFAOYSA-N 432.868 0.948 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 763468454 YRVQIDZBSFHIMM-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccc(F)nc1 763511501 GEMVPQWQSIDBCD-UHFFFAOYSA-N 449.464 0.795 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 763941051 NZSDZKLGOFMSLG-UHFFFAOYSA-N 444.267 0.821 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(C)cc1O 764110683 LFBKHGIBLMDIQD-UHFFFAOYSA-N 431.401 0.904 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764155321 YEMIPIAIDSDOAU-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 764204008 GZCFCMYWIUNATB-UHFFFAOYSA-N 431.453 0.863 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)C(=O)OC(C)(C)C 764425658 PSULCLCFSHRHOF-OAHLLOKOSA-N 436.465 0.555 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 764431183 ACZREHKZQOZBLR-AWEZNQCLSA-N 430.383 0.807 50 20 ICGD O=C(CSc1nc2ccccc2nc1N1CCCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764616714 QVIPOXSTJGSGID-CYBMUJFWSA-N 449.558 0.904 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(I)c1 765696786 AUZHUBJZZXALHL-UHFFFAOYSA-N 443.201 0.352 50 20 ICGD Cc1ccc2c(CCC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c2c1 765729716 ZLDGSGDHFHKNQP-UHFFFAOYSA-N 437.460 0.004 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1nc(Br)cn2ccnc12 767149067 VDFBHKNFORGEAM-UHFFFAOYSA-N 442.274 0.576 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)C1CCOCC1 767479889 CXSGDTBIQLHXJZ-LLVKDONJSA-N 432.882 0.627 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)(N2CCOCC2)C1 767897251 ZRPFRGOHHROIPV-UHFFFAOYSA-N 429.518 0.111 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n(-c2ncccn2)n1 768239900 QQPHCYBTLRSXNQ-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNc3nc(O)c4cnn(C)c4n3)cn2)C[C@@H](C)O1 770341447 NTKPPDPRLXJAKA-TXEJJXNPSA-N 427.469 0.904 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1 772045565 RHSXENIEPAWIGI-BXKDBHETSA-N 430.255 0.029 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 775669793 OYOCGDNDJKNKIF-UHFFFAOYSA-N 428.492 0.626 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 782898045 XUQGVXIVTXGMQO-LBPRGKRZSA-N 445.501 0.863 50 20 ICGD CC(C)(C)OC(=O)Nc1cnc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 783566478 DWRQWQVCVCXDLH-UHFFFAOYSA-N 425.409 0.874 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n2)CC1 787540698 DIPFKYHCOYQXCE-INIZCTEOSA-N 428.449 0.076 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 793227199 PLDUTNXNBWPDLE-UHFFFAOYSA-N 428.474 0.511 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623415 OIAXGVKKUHJJMA-ZDUSSCGKSA-N 430.509 0.999 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802095043 NSCYTZXCYWHUAS-JTQLQIEISA-N 438.466 0.285 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802119928 UKZKAIRCCSIBES-UHFFFAOYSA-N 437.478 0.884 50 20 ICGD CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(S(=O)(=O)CC(N)=O)cc1 814740520 OZUGVBDABVTIHW-UHFFFAOYSA-N 441.469 0.347 50 20 ICGD Cc1c(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccn(C)n1 816088024 VEXOKEMDUYDQKY-UHFFFAOYSA-N 447.500 0.559 50 20 ICGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](B(O)O)C3)c2)CC1 864231178 JRTUHDCOSLHJSK-ZDUSSCGKSA-N 429.735 0.355 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@@H](B(O)O)C3)CC2=O)cc1 864233410 HGZGDTPEJZIVQF-HUUCEWRRSA-N 437.327 0.145 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 903896138 OZKQXIOEGPFDOB-UHFFFAOYSA-N 428.488 0.877 50 20 ICGD COc1ccc(Cn2ncc3cc(C(=O)NNC(=O)C(=O)NC4CC4)cnc32)c(OC)c1 914838578 MXBJBDPLMJUODZ-UHFFFAOYSA-N 438.444 0.536 50 20 ICGD COCCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916827770 XMJDIOMCFOLRMA-OAHLLOKOSA-N 443.522 0.527 50 20 ICGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)C[C@H](C)O1 918777405 IRJTUIJIDUAYJT-GJZGRUSLSA-N 425.511 0.013 50 20 ICGD O=C(NNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 919886049 PJFUEHQGQCQIGX-QMMMGPOBSA-N 440.356 0.667 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1317707422 KVWNTHJOKOSCRG-UHFFFAOYSA-N 439.519 0.028 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1321400759 PAHNUHWQKPRBFE-KRWDZBQOSA-N 434.460 0.911 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778351609 GEWMBVNEZLNZSA-XLIONFOSSA-N 428.961 0.388 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032714 WMPMNMPMGOXVJA-OPAMFIHVSA-N 427.505 0.897 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1779034934 XZJKYAGOTKFCID-BTYIYWSLSA-N 426.477 0.191 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)no1 1781331400 JSIPYDLNEAMHLD-CZUORRHYSA-N 447.261 0.233 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnc[nH]1)C2 1782209489 TWLISMVFGRILJO-DYESRHJHSA-N 434.541 0.229 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784094784 ROIADMPGEQNLPK-BPXZUEPWSA-N 430.929 0.545 50 20 ICGD CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](Cl)COC)C[C@@H]32)cn1 1785611304 YCMPDZBDPGDYQN-YXWQFLTLSA-N 426.901 0.722 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785842466 YJOFXTXKTXADRT-UHXUPSOCSA-N 427.299 0.807 50 20 ICGD Cc1cc(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789568092 ZLFUZPHILXFKEG-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1791252868 UKFPXYSSEOBBNI-XPCVCDNBSA-N 430.864 0.630 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115146 AZCKJBNCLPZQFT-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)C(C)(C)C 1793194065 KGJFFORNPWFCPR-NDKCEZKHSA-N 436.322 0.817 50 20 ICGD CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)(C)C 1793381747 DSAKUKZDVXKAHH-BASYENTBSA-N 444.536 0.488 50 20 ICGD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c2cccnc21 1796191573 YYUZXGKCVVCWJW-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796860673 OJBSQLLUOHOEOX-SJWGOKEGSA-N 428.323 0.575 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797385104 UCYCKUJUVKBURS-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccoc1)C2 1797748557 HTBITSNRVKDLFE-SGLKITHBSA-N 425.445 0.195 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)n1 1800757706 OUSFSABWAXIAHA-GUIRCDHDSA-N 429.315 0.516 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 1801011849 KPLUXNZAWSRKFY-HBCWATKFSA-N 434.541 0.283 50 20 ICGD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801720108 XLMBIUIEDQFGFB-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(C)nc1C(F)F)C2 1802336565 MXLDMPYRXNUMOF-CLLJXQQHSA-N 426.468 0.983 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802599252 ONALFDXGSVNGQH-QAPCUYQASA-N 440.504 0.825 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803939263 NFVKBOIXCWQCMK-GIVPXCGWSA-N 436.321 0.175 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2CCOCC2)[C@H]1c1cccnc1 1806701712 HXIOKLDYULTBQX-WIYYLYMNSA-N 431.537 0.887 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360522 KSTZWLKOIVUGOF-UWJYYQICSA-N 449.272 0.480 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807712804 RTTOQBNUKQDLJG-QUSNUVHPSA-N 439.354 0.984 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971284 QKUWFLBAGCBKKZ-KRWDZBQOSA-N 439.325 0.139 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cn4ncccc4n3)CC2)C1 1809972585 RBFOOVCLJXRPIW-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1 1813070802 KKSVJJKAGQUKPF-UWJYYQICSA-N 427.509 0.357 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1 1813074560 UIOZHGDQJHTNAO-WFXMLNOXSA-N 431.537 0.887 50 20 ICGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](Cl)COC)CC2 1819811320 RCBFGDGFWODYNV-ZJUUUORDSA-N 433.987 0.793 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716673 QBRRSTDYQJEYOE-CMPLNLGQSA-N 429.861 0.199 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCOCC2)[nH]n1 1822413221 OQYJQVMCLIWZDO-KRWDZBQOSA-N 449.556 0.497 50 20 ICGD CN1CCN(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)CC1 1824182066 RUNKXYFCFLVHBV-RBUKOAKNSA-N 429.005 0.843 50 20 ICGD CC(C)(C)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050926 HFDFLJFXBRMNIH-FQEVSTJZSA-N 429.370 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCCO3)CC2)CC1)c1ccc(B(O)O)cc1 1834797739 ARTPQEBFDKRTFY-NRFANRHFSA-N 443.353 0.121 50 20 ICGD O=C(Cn1cc(Cl)cn1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834812402 ZXIZHJSAKVBFMM-MRXNPFEDSA-N 432.352 0.708 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839068492 XNNZWTJKHQRPBC-MPGHIAIKSA-N 432.359 0.568 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1839197463 XJERKWBOUOEQMF-RHSMWYFYSA-N 436.322 0.475 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)C1 1839202011 QIZAJDAHXSGCMJ-JJRVBVJISA-N 436.322 0.475 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839962241 YQMHALMCTAQFBW-APWZRJJASA-N 446.386 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1840036136 GKVCBGRMHVLGAS-VKJFTORMSA-N 443.342 0.759 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840153346 LJYABNUEGQJOPC-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843012445 PRSSLCTVSKMRNQ-SJORKVTESA-N 428.294 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1846385230 GOFQMYWPGHUUQJ-UHFFFAOYSA-N 446.504 0.026 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1846385747 QYLTYDVEFHRYBO-UHFFFAOYSA-N 427.505 0.761 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c1 1848084791 RYEVTECXMZLRJE-SFTDATJTSA-N 437.305 0.327 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 16203814 IVOBFQGMKFRPFE-UHFFFAOYSA-N 440.909 0.703 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 725881030 PKORRSSUNPBGCB-UHFFFAOYSA-N 432.911 0.948 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC(F)F 725902705 RUPUKFYBBLNFLJ-UHFFFAOYSA-N 440.359 0.197 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 728344585 ZWHPWFZLOHQWMC-MRXNPFEDSA-N 427.417 0.221 50 20 ICGD COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728381187 ZTKNNMOBDSQUCP-LBPRGKRZSA-N 439.519 0.259 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728599168 ZGNQNJZWLQLXHV-UHFFFAOYSA-N 427.408 0.311 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1 728853849 DKXVDJDWFGRWNR-UHFFFAOYSA-N 425.492 0.551 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1Br 730091782 VTRXIOBABPPIMU-UHFFFAOYSA-N 430.284 0.426 50 20 ICGD CS(=O)(=O)CCCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731183724 GECXHTMNEBVLSG-UHFFFAOYSA-N 442.501 0.974 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)c2ccccc2c1=O 732474875 MAFIBFUZRKURRZ-MRXNPFEDSA-N 443.552 0.777 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 732984357 NWZBPVOOWOLYNW-GFCCVEGCSA-N 430.493 0.857 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 733359601 SJORJRWQVDMNHO-UHFFFAOYSA-N 432.462 0.392 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 734428371 PTXJMEUTXVOGDO-YDHLFZDLSA-N 428.898 0.377 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1cc(Br)ccc1O 743730039 LZTGVXJELKOIHF-UHFFFAOYSA-N 434.254 0.795 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 744384999 QNXAVFJJBURVHM-RTBURBONSA-N 429.565 0.878 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 744461242 YHMZZTSNKCDNHS-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CCOc2ccccc2)cc1 747076449 NMFYTELQEFPQBX-UHFFFAOYSA-N 427.504 0.716 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(CCCc2ccccc2)C1=O 750267464 MQPPVTVERQZSJV-LJQANCHMSA-N 448.487 0.840 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 751209015 JHIKTBNVUACKBH-HXUWFJFHSA-N 443.485 0.401 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1C 751209274 NRYIJANRIRZFII-UHFFFAOYSA-N 438.531 0.563 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 751210565 HFFMASQCGRIGNY-FKIZINRSSA-N 449.533 0.762 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1=O 753020177 OGNYEXVQUXOIST-ODXCJYRJSA-N 427.465 0.167 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3cccc(C#N)c3)cn2)CC1 756549237 NAISZHFWRNPNFV-UHFFFAOYSA-N 443.489 0.501 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc([N+](=O)[O-])cnc3N)cc2)CC1 758017048 JYQUANYXFUCABJ-UHFFFAOYSA-N 435.466 0.265 50 20 ICGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nccs1 758723083 KEXSVVBTJKEMOB-ZDUSSCGKSA-N 439.567 0.904 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2O)n1 760277584 NOMNRWGKBRCGKS-UHFFFAOYSA-N 425.405 0.150 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 760277745 QCFLWFKXERTWLI-SECBINFHSA-N 438.428 0.550 50 20 ICGD CNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 761137420 HLRKTPQASCDXRY-UHFFFAOYSA-N 435.462 0.186 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3O)cc2Cl)CCN1 763526930 LZXYLFDXAODEQP-UHFFFAOYSA-N 431.836 0.382 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)c2)C1=O 763678618 FMPDAEHAKITOPT-UHFFFAOYSA-N 443.391 0.389 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1 763822043 UVNWNZVBGKOORA-UHFFFAOYSA-N 438.440 0.809 50 20 ICGD COCCOc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916967 LZBSXEPFDXTXGR-UHFFFAOYSA-N 425.405 0.087 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764116604 LNTALKZWACKLMO-CQSZACIVSA-N 442.394 0.893 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 764125165 SNWBSQIEOACBOJ-UHFFFAOYSA-N 442.472 0.881 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764126384 JEUBMPNDUHINDN-UHFFFAOYSA-N 430.801 0.232 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc3ncccc23)c2ccccc2O1 764253733 UYAHJTBLYNDMOE-SFHVURJKSA-N 433.424 0.536 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)OCO2 764265665 FAKLBWCCQXDPOT-UHFFFAOYSA-N 426.433 0.516 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 764398373 GKPYOYADFWRJLD-GJZGRUSLSA-N 434.493 0.839 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1OCC(N)=O 764411453 XEAJZBFYJNYGIU-UHFFFAOYSA-N 438.799 0.752 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 764430057 RKNDOCZEHVNWHL-ZDUSSCGKSA-N 444.366 0.555 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1ccccn1 765035948 SITABPVYUUAHPL-UHFFFAOYSA-N 425.434 0.175 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@@H]1CCCCO1 765119030 KTNKUOMFUXXNIM-SFHVURJKSA-N 444.985 0.977 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cn1 765754543 MCFLDCSWGPEJCY-UHFFFAOYSA-N 425.489 0.755 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cc(Cl)ccc1O 767839366 FGTCFTUFJXQJPY-UHFFFAOYSA-N 432.868 0.726 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1 776534202 GFKAQERBJTWMRG-UHFFFAOYSA-N 427.523 0.871 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)[C@@H](C)O)cc1 779535405 WQLZUTPOXCXBHB-DYVFJYSZSA-N 441.531 0.570 50 20 ICGD CN(C)c1nc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2o1 784004687 JDUKQCNGNXOJND-UHFFFAOYSA-N 430.446 0.471 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(C#N)c(Cl)c3)cnc2n(C)c1=O 785086460 PLCPBTXIIANRGS-UHFFFAOYSA-N 427.808 0.239 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 785329849 ACEKDYHUXGSGQD-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1ccccc1S(N)(=O)=O)C2=O 788228418 KAGIVHWZTVRJQV-CWTRNNRKSA-N 437.522 0.914 50 20 ICGD COc1c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cccc1[N+](=O)[O-] 792803865 GVCHFAWPROTVER-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD O=C(O)c1cc(Br)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793447729 MZAZSGZFACXVMC-MRVPVSSYSA-N 444.267 0.311 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cnccn2)cc1 806750426 JWLSSKJSMCKJSH-LBPRGKRZSA-N 430.421 0.251 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c1 810343775 SIQBSAKITYWPFJ-UHFFFAOYSA-N 443.279 0.592 50 20 ICGD CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 814271253 YEJMMBSFHKTDDZ-GFCCVEGCSA-N 426.543 0.785 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1C(=O)CCNC1=S 816828995 XHUAEHBSWTZHJW-JTQLQIEISA-N 443.323 0.861 50 20 ICGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)nc1 916519338 AYAUGKVJLNGVTF-UHFFFAOYSA-N 436.270 0.448 50 20 ICGD COc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884091 DTRDTTYHIKAQIM-CQSZACIVSA-N 427.479 0.574 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CCS(=O)(=O)C1 919884981 ITHNIMYODBDLBY-LBPRGKRZSA-N 442.295 0.766 50 20 ICGD O=C(NNC(=O)c1ccc(CNC(=O)c2cccs2)cc1)N[C@@H]1CCS(=O)(=O)C1 919885289 KTJRITHBDVOROQ-CQSZACIVSA-N 436.515 0.809 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 921018273 YQJZKXKDBMPKKN-UHFFFAOYSA-N 449.514 0.746 50 20 ICGD Cn1ncc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cccc21 1778028817 TYQMCTMOZMGITQ-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778036071 MFUOJLRIZKCLDV-HSZRJFAPSA-N 433.273 0.605 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778610748 YKORVYPMKMLKDH-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210547 HFNYJOBTUOJHSF-WXVIEYATSA-N 439.896 0.536 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780550070 QYCKQEGMKGNTQS-QFIPXVFZSA-N 432.521 0.902 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781102188 JJMWGUREOXJYBA-IPELMVKDSA-N 435.396 0.689 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1783881914 NYSILFQYPOYWRY-YVEFUNNKSA-N 425.898 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnc3ccccc13)CCO2 1783934623 JCNLSKCJBAGELA-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938119 VAXRUGHIMCHJEW-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1783969482 GQIVTBRJJPOGDV-TUUVXOQKSA-N 426.311 0.944 50 20 ICGD O=C1COc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)cc2N1 1784092442 LJKQOGGZPSVQPI-LBEHMCEESA-N 437.880 0.211 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4o3)C[C@@H]21)c1cccc(B(O)O)c1 1786984962 DFANEKODDZFUQQ-KNBMTAEXSA-N 449.272 0.415 50 20 ICGD Cn1ncnc1C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1787232529 AGJBRMROXJXTDI-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1787508849 MVXTWSSSQFFTOG-BCJGNJTBSA-N 427.864 0.635 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C[C@@H]21 1791249384 KCGPKFLAZRJHEU-FQMQPWHVSA-N 430.929 0.809 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]3C2)n1 1791253933 FQIRCGHJUMMASO-MPTYRVRUSA-N 428.917 0.377 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1792870751 KKAJDSXCDSBUPQ-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1793879059 DPBSLCWJPNZZCL-NPJQDHAYSA-N 445.944 0.887 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C1CC1)C2)c1ccc(B(O)O)cc1 1795732544 SMVSNNMMCGZALF-SCAQPMJSSA-N 441.318 0.217 50 20 ICGD O=C(CCc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795777866 FBEZWXQPGVZEFR-XEMDLRDOSA-N 428.319 0.264 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1797697287 HDHLGSDNTXZWDJ-QNSTZXKLSA-N 433.347 0.457 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1798537519 LMHMJBYBAHZPKW-LZDSYCOUSA-N 440.884 0.464 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c2c1 1800873997 DJMAIVIMKNJBIH-BCDXTJNWSA-N 443.272 0.680 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340891 PPJCHJURDRMKSZ-YOEHRIQHSA-N 437.342 0.712 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807320106 NNNDQDJNRCCNBI-KNQAVFIVSA-N 438.337 0.469 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359992 NYFUFZYPWINFSW-RLLQIKCJSA-N 425.294 0.098 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360364 RSJPGTOYPSKHSN-ZAAXVRCTSA-N 425.294 0.364 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1810869150 KXGQPXJJQMBSBE-AZUAARDMSA-N 448.288 1.000 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1)[C@@H](O)CCl 1814872966 IHIYAMAJEMHRDR-JSGCOSHPSA-N 445.867 0.718 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815062331 JKVOCKASGDYJJX-WDEREUQCSA-N 427.603 0.499 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1816983451 TZKOIHYNICSBLF-PTOFAABTSA-N 429.955 0.681 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cncn1 1822772551 WERFVIGAAIWODR-DZGCQCFKSA-N 431.501 0.628 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](O)CCl)CC3)cc21 1824181264 ZMRAACHCRHABMH-NVXWUHKLSA-N 437.928 0.460 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825357555 QDBYAIGZWUWRTB-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829771272 OXIDNMDVNUBISV-LRQNFFAQSA-N 444.326 0.085 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C(F)F)n1 1830731832 NXZCRBQFQQPUHQ-CXAGYDPISA-N 436.843 0.256 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830960649 YILDCRXNPBBNRP-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(N)=O)CC1 1831405050 HXRPGVUDXUGQOC-KRWDZBQOSA-N 430.509 0.184 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297093 KHVUAUWQFTWYQB-CRAIPNDOSA-N 448.358 0.485 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1833508758 TYHLCQXUTJPFHB-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833511402 PUUSJMUIIILFGD-DOMZBBRYSA-N 445.358 0.697 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834726621 VPCXQWWFYIJWKK-MJGOQNOKSA-N 437.972 0.907 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1834826558 QVOUMNOIXOPVJI-QGZVFWFLSA-N 443.298 0.097 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835699251 ZPBGQRZZTYTFRT-LBPRGKRZSA-N 442.358 0.465 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835711133 KUKVONYSQMFJKQ-WMLDXEAASA-N 445.992 0.519 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835761512 TUXIRWHEWGIDLX-NQIIRXRSSA-N 445.004 0.616 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839146487 ZSOYKLOPGBYARP-OCWSMVLXSA-N 431.917 0.989 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839200978 UGCQYHMAPGWZCY-PBHICJAKSA-N 446.273 0.851 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1839760070 BCGZQSFXYBUQOI-KRWDZBQOSA-N 447.326 0.571 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1 1840034261 GKPUFNGCIYCSQA-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c(O)n1 1840034428 KYGZLOYJABNEHI-FZKQIMNGSA-N 442.310 0.949 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840152642 OPIOIORMKZWDMU-MGPUTAFESA-N 440.928 0.233 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011702 IHBPZHRIMOIJHY-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331880 XNDCUHYOOYGPLJ-OLZOCXBDSA-N 438.326 0.829 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847322869 VOHBKQRSWJGMFR-JQFCIGGWSA-N 444.444 0.862 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl)c1ccccc1F 1847565433 QDOQJPYYUAFOPF-MIALQEHNSA-N 425.888 0.979 50 20 ICGD CCOc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCC(=O)OC 728513089 RDAAHBVRJGTXIN-UHFFFAOYSA-N 440.416 0.688 50 20 ICGD O=C(NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@H]1CCS(=O)(=O)C1 730534014 JIPDNHAIZFIKFK-JTQLQIEISA-N 433.368 0.887 50 20 ICGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 733347692 HFCQFSCMBMPGSR-LLVKDONJSA-N 449.327 0.826 50 20 ICGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734241555 QCTRBCUVABIKCW-UPJWGTAASA-N 425.486 0.405 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739410327 UDFXDBURNOIHTH-UHFFFAOYSA-N 434.474 0.571 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccnc(-n3cccn3)c2)cc1OC 740339867 ZWKLLRZUYMUHKM-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD O=C(NNC(=O)c1n[nH]c2ccc(I)cc12)C(=O)N1CCCC1 742600829 HGNOQZYTNZPQCK-UHFFFAOYSA-N 427.202 0.551 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744881371 OUANRIXNPQBOAM-UHFFFAOYSA-N 430.442 0.938 50 20 ICGD Cc1c(NC(=O)[C@@H](C)SCC(=O)NNC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 746012771 KNEMHMNMORULBD-CYBMUJFWSA-N 434.522 0.847 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748455817 BWYIPFMUAOKWEU-UHFFFAOYSA-N 425.511 0.168 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NNC(=O)c2ccccc2)c1 752335257 DQUUTCRRILVWSX-UHFFFAOYSA-N 425.449 0.573 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3nccc(N4CCOCC4)n3)C2=O)cc1 762851212 BZCVYLSJFPGRAO-OAQYLSRUSA-N 439.476 0.532 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 763496374 OYNAGEDFKOCRCU-UHFFFAOYSA-N 434.565 0.193 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763657440 MHXBVUJOFPSDEE-UHFFFAOYSA-N 427.417 0.390 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1 763872632 PCZSLLCVZSYUGI-GFCCVEGCSA-N 449.439 0.874 50 20 ICGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764003337 BPIYCOSWONWNTK-UHFFFAOYSA-N 427.413 0.963 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 764080910 DJSBYPNONICUIP-UHFFFAOYSA-N 447.451 0.384 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 764082103 BKJYBDFVIDJDCR-MCIONIFRSA-N 440.522 0.617 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 764124512 JOKTUMPNYQUCTF-UHFFFAOYSA-N 437.449 0.957 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764145008 SMLGPAUIXOPIFK-UHFFFAOYSA-N 434.518 0.698 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1C 764203026 HRSJPMOVSAIZHZ-UHFFFAOYSA-N 435.481 0.745 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C(=O)Nc1ccc(-n2nccn2)nc1 764276225 ASIHZBAOQVTHSO-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1S(=O)(=O)N(C)C 764366106 JYJLLKHQLWNRGE-UHFFFAOYSA-N 448.501 0.548 50 20 ICGD CC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 764467941 ZXGVRPHWCVHNCI-UHFFFAOYSA-N 431.470 0.985 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1O 766318478 IJWBZKYKSHVLHY-UHFFFAOYSA-N 429.838 0.542 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 769624951 GGJHXMPVTNHTOV-VIFPVBQESA-N 439.309 0.048 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 770649052 VOIXSLRKDNNHIP-JTQLQIEISA-N 429.861 0.994 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 772965278 WIZFTVPUEJEGOC-SECBINFHSA-N 434.840 0.563 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ccccc1[N+](=O)[O-])CC2 773654519 FDBCQZFZFPVARZ-UHFFFAOYSA-N 433.446 0.925 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1Br 779146609 HEWCEHVNFMODLA-UHFFFAOYSA-N 425.261 0.756 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 780990875 IKEJAWHQXWCXQF-LLVKDONJSA-N 426.333 0.822 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)nc1C 783603556 SYWQFOMLCZONLB-UHFFFAOYSA-N 430.446 0.914 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 784002355 CVJIJMHXEGGVHX-UHFFFAOYSA-N 439.925 0.602 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)C[C@@H](C)O1 784766069 XKOGIOWYHAWKTC-ZIAGYGMSSA-N 426.477 0.447 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 785699872 GNJWKWIDQQISNE-UHFFFAOYSA-N 442.494 0.906 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(OCc2ccccc2)c1 785992391 ZZFFBXPTJCMKPC-GOSISDBHSA-N 429.429 0.776 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2cc(C)ccc2C)[C@@H](C)O)cc1 791785347 MVEOQPSAESAPBE-OXQOHEQNSA-N 449.529 0.866 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 795082078 VVCLTMJUNCKFOK-ACJLOTCBSA-N 426.495 0.120 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1F 796998186 BGJKLVDTQAYZBW-UHFFFAOYSA-N 445.342 0.127 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)cc1 801106960 JPORXSYXXHOLNC-UHFFFAOYSA-N 428.829 0.835 50 20 ICGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1cc(Br)c[nH]1 804868618 ACJJGQCQHCHIAP-JTQLQIEISA-N 428.209 0.984 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806989757 PMXQOPNNVHTQII-KGLIPLIRSA-N 425.445 0.569 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 807380565 XYSABHRLBYUDCI-JOCHJYFZSA-N 438.488 0.595 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1C)CC2 807456841 JMCXFPDSEDIMII-UHFFFAOYSA-N 433.446 0.844 50 20 ICGD CCOc1c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)nn1CC(C)C 812456676 NXEUJSVGIVZVKK-UHFFFAOYSA-N 437.526 0.281 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 864232734 BPKOSMSHCLKGAO-CQSZACIVSA-N 427.332 0.464 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OCc3ccncc3)cc2)c(=O)n(C)c1=O 915958416 CYGMGMZXTUWJOJ-UHFFFAOYSA-N 440.485 0.695 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1 916253818 NGRBLAMVFXFRQB-UHFFFAOYSA-N 428.511 0.657 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267026 UZCBGVLXPQKBHQ-UHFFFAOYSA-N 438.492 0.270 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 916530403 ANCHRGUKRIKUPW-UHFFFAOYSA-N 445.501 0.714 50 20 ICGD O=C(CCCn1cncn1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 917393268 IUIIVFQKTIKVNX-UHFFFAOYSA-N 442.501 0.998 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCS(=O)(=O)C1 917625383 QDTSEPXLOJRCQU-GWCFXTLKSA-N 444.307 0.384 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1317953318 OYMUGGPYKPMNKJ-UHFFFAOYSA-N 439.515 0.392 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCc3nc4cccnc4[nH]3)cc2)CC1 1334937137 SKDZLNQGXYTVFH-UHFFFAOYSA-N 443.533 0.970 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778021975 FMHFIHSRBSRTPU-BRXULGCHSA-N 427.926 0.363 50 20 ICGD CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1779029105 LIPFATXMSKENFO-PGRDOPGGSA-N 446.552 0.249 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cc2n(n1)CCCO2 1779033874 WZCKGDBNINABSF-SPYBWZPUSA-N 426.901 0.393 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780815390 CLYZQVGKGSOZEQ-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD O=C([C@H]1CC[C@@H]2CCC(=O)N2C1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781056282 FIWYUPCRNBDWNO-HRJSJKBJSA-N 446.317 0.908 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783967505 VCHUETHOIIGCGB-QTVXIADOSA-N 447.374 0.705 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789770749 BCNRPOFABUVSKU-PCCRXHMLSA-N 441.956 0.621 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1789863247 HPHFQYZZUZRRIA-ZJOBFFGXSA-N 437.928 0.627 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CCc2ccccc2[C@@H]1O 1796187737 ARGBINJYWFXVCY-QWCYLASJSA-N 448.328 0.914 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c[nH]nc3c1)C2 1797750900 WQUUVVZEPZIHPZ-CCWDJLKJSA-N 449.471 0.078 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803565665 YDXVWJNWRJQEBQ-PBEJRMEISA-N 437.305 0.672 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnccn2)[C@H]1c1cccnc1 1805433297 LJZFLMOTSIBIBX-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnnc2)[C@H]1c1cccnc1 1805492435 KBQFNUVPCMUXDO-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807048212 QBJXJWVNYZUWOA-BFIPOCKSSA-N 444.363 0.917 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cccn2)[C@H]1c1cccnc1 1807639035 UVODRQPDLSVHHA-OXJNMPFZSA-N 448.487 0.296 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1808277344 CSSDWHSKWAPFNH-ZIFCJYIRSA-N 426.945 0.391 50 20 ICGD COc1ccnc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1 1809971435 XMVUSAOTJDJJRC-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnn4cccnc34)CC2)C1 1809972398 OBWLFIAQPHNKQU-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980615 YAAFUESMWXKBIN-AATRIKPKSA-N 434.305 0.715 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1813301073 CUQQEFQBQBYFLL-HEFNZMQWSA-N 439.520 0.897 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCC=CO3)sc2C1)c1ccc(B(O)O)cc1 1819729967 CNNLYIXGOCQMFC-GOEBONIOSA-N 427.291 0.741 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n1 1822414347 SICVKOCZAUBGSC-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1cnc[nH]1)CC2 1826092330 ZLQIJFQCYQHVQV-FUEXJSSKSA-N 431.522 0.865 50 20 ICGD CC(C)N(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055467 YACMESSPDHPCAY-OAQYLSRUSA-N 429.370 0.940 50 20 ICGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537193 CQEYRKCGQKEHSK-WMLDXEAASA-N 437.331 0.137 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(O)cc1 1830733860 WIKRXPPNGMSPLB-NQYLQCIDSA-N 426.897 0.552 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1832590224 JOMWWQHLCPSRQO-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1C[C@@H]1C1CC1 1833246909 LQVTXMKMCVZGLV-YADHBBJMSA-N 439.365 0.598 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)[C@H](O)CCl 1833312731 ZBROCFLUDJTVQC-CQSZACIVSA-N 428.877 0.103 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833319173 ZPLKFNHMJHKGCV-KDOFPFPSSA-N 433.839 0.689 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833953073 LKJJODKFXBLNPC-NRFANRHFSA-N 444.318 0.120 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932143 PYDAVTCQNOQMNL-JPYJTQIMSA-N 446.353 0.653 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838255364 JFYPVGIDBXVNOS-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331828 QBOJFEWJKVVHMY-RDTXWAMCSA-N 442.310 0.421 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840036958 UFPSFRRWXWUKBN-MAUKXSAKSA-N 443.342 0.903 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840149980 CWBNOWHUCCGDAZ-LPHOPBHVSA-N 443.953 0.884 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843013913 CCUSSCOGFSWEAK-UHFFFAOYSA-N 443.309 0.050 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3ccccc3[C@H]1O)C2 1844263204 DWZQOLXWJBUSRC-AZUAARDMSA-N 449.511 0.798 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846342020 PNIQZXOHWPJNBG-HOTGVXAUSA-N 441.488 0.258 50 20 ICGD O=C(c1nccn(Cc2ccc(F)cc2)c1=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557139 WIJBIWQEVJTMIG-ULQDDVLXSA-N 448.882 0.846 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(C)n2n1 15663483 NPAYGSPVPMZIQO-HNNXBMFYSA-N 428.474 0.993 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)cc1OC 726381683 FZYBULLLWPTODC-UHFFFAOYSA-N 437.474 0.971 50 20 ICGD CCCS(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 728019037 QTBDLSBDSRGXRM-UHFFFAOYSA-N 429.462 0.889 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1 728313442 GAIXVBZWDANFBF-UHFFFAOYSA-N 426.520 0.548 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(OC)nc2)ccc1OC 729693052 GBNFVUAODMTXRA-UHFFFAOYSA-N 425.492 0.638 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cccc(OC(F)F)c1 731988835 LZDBNBAPHBSXLD-MRXNPFEDSA-N 440.447 0.762 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 732054290 SAGQZNRZMJQIOP-QUCCMNQESA-N 446.548 0.931 50 20 ICGD Cc1cccc(-n2c(NNC(=O)CN3C(=O)C(=O)N(C)C3=O)nc3ccccc3c2=O)c1C 733264812 SJXOBZYSVVYHLK-UHFFFAOYSA-N 448.439 0.866 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCCC2)c1 740810640 RVIHJACQWMJORY-OAHLLOKOSA-N 431.536 0.604 50 20 ICGD CCO[C@@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 744412502 PSHYWKQHQDBRBX-HNNXBMFYSA-N 441.492 0.618 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1 744560908 IPEINEDJUDTLGZ-MDZDMXLPSA-N 442.453 0.453 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCOC2CCOCC2)c1 745845434 PFYSSNZCFRGQOF-UHFFFAOYSA-N 428.511 0.467 50 20 ICGD CCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)O 749755158 JVYXGWCALZWTMB-UHFFFAOYSA-N 426.472 0.974 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1cccc(Br)c1 750290934 ZNHNZBRGEWEWHI-UHFFFAOYSA-N 446.283 0.501 50 20 ICGD O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)c1csc(N2CCOCC2)n1 752898583 MTXYCXCBZPLEMS-ONEGZZNKSA-N 441.473 0.812 50 20 ICGD CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 753813257 TZSFOVXXWAZBPH-ZYSBOAIWSA-N 449.533 0.487 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1C 756835013 KIMZWMOXALFNEA-INIZCTEOSA-N 444.492 0.979 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)Cn1cnc3ccccc31)C2=O 756862339 ASPFAAUGRALJDR-KBPBESRZSA-N 426.477 0.930 50 20 ICGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757798015 RKEQYAVKKFQLNW-KSSFIOAISA-N 435.550 0.898 50 20 ICGD Cc1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1-n1cnnn1 758524115 UUFCXKRBLMZPJC-UHFFFAOYSA-N 429.300 0.411 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4ccccc4n3)cc2)CCN1 763450990 SBOAHSQTUXUJKI-UHFFFAOYSA-N 432.440 0.571 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763571466 JKBQEQWTQOKGJU-KRWDZBQOSA-N 443.412 0.554 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc2C1=O 763745787 KSURGBBCBLAMIR-UHFFFAOYSA-N 435.440 0.451 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(F)c(Br)c1 763922170 TUNZOAQDEHKRRE-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)cc1 763940578 JTHCIDTUQPNKEK-UHFFFAOYSA-N 425.264 0.938 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n[nH]1 764097426 DLBDBCCTXMXYKN-UHFFFAOYSA-N 448.505 0.601 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O 764398229 QDWVCKYBTYGLOB-OAHLLOKOSA-N 430.461 0.342 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1 764411274 UVWYZFBJCMEOIL-UHFFFAOYSA-N 428.829 0.787 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)n(C)c1=O 764517144 ZJJKCIGDZTXVBF-UHFFFAOYSA-N 439.860 0.244 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1cccs1 767636503 KANMHPBUGZVUBI-LLVKDONJSA-N 436.471 0.291 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)C(C)(C)C)c1 770077300 GILCJHHTODYTGU-UHFFFAOYSA-N 427.527 0.972 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 774008625 JULORBXQOOSIKQ-JTQLQIEISA-N 440.865 0.541 50 20 ICGD CCO[C@@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@@H]1Oc1ccccc1 774365661 VCPLMWHNXPVAGK-ZBFHGGJFSA-N 433.490 0.300 50 20 ICGD CC1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)[C@@H](C(=O)NNc2ccnc(N(C)C)n2)C1 776158423 WWGVHTFBCMXKRT-KBPBESRZSA-N 442.528 0.647 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 777276734 ZRDHIKVVYBPAQP-VQTJNVASSA-N 449.552 0.350 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)ccc21 778709313 CUPRYOSQFFDDGI-UHFFFAOYSA-N 440.456 0.646 50 20 ICGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2=O)cc1 783426737 JZJDPOYJHSMPEU-FQEVSTJZSA-N 432.502 0.342 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 794074303 CAASZCZIPXAUGW-UHFFFAOYSA-N 442.476 0.629 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2)NC(=O)NC1=O 794074601 GMNXARZPJNAEIG-OAQYLSRUSA-N 439.428 0.429 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 795180697 AEGWTJFHPLXHGG-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD O=C(NNC(=O)c1cc(F)cc2nn[nH]c12)c1cccc(S(=O)(=O)N2CCCC2)c1 800379321 WJPCCBSEMHKVEX-UHFFFAOYSA-N 432.437 0.956 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 800795874 XJYNKDUSRFQPFY-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 806973099 ZJQVFOYKCICBNC-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cnc4n3CCCC4)nc2)CC1 807261480 ALDVLFSYJPGGBS-UHFFFAOYSA-N 448.553 0.377 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1C 810386360 WHUWYPMBMCAGJC-UHFFFAOYSA-N 428.376 0.957 50 20 ICGD Nc1c(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cnn1-c1ccccn1 814709091 ZKRHAGIIZRXNGJ-UHFFFAOYSA-N 434.504 0.823 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)ccc21 815567333 URMNZYZWIAEJKC-UHFFFAOYSA-N 449.370 0.416 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 816881961 TXXDQKDUYJVKPR-LBPRGKRZSA-N 447.502 0.559 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638520 PGXNYGFISPHHSU-UHFFFAOYSA-N 435.458 0.253 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(C)nc2ccccc2c1=O 914431834 HZKWXHDBBVXLPF-UHFFFAOYSA-N 442.501 0.768 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914777342 LRXJGMHCMWIVGY-SMDDNHRTSA-N 443.909 0.535 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n2nnnc2C)c1 915684883 KDHDFWPJISJGJE-APWZRJJASA-N 438.444 0.761 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCSC(F)(F)F)nc2)CC1 918219236 GGXOUACQUAAEHF-UHFFFAOYSA-N 442.489 0.897 50 20 ICGD CCn1c(SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 919883228 BWQVQPPKURUXTK-SNVBAGLBSA-N 428.496 0.168 50 20 ICGD C[C@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 920933036 LIIANNJHIHQLJB-GRYCIOLGSA-N 431.540 0.340 50 20 ICGD O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)CBr)CC1 1323847053 NTLMWNJIYIEMBI-UHFFFAOYSA-N 446.245 0.694 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(F)n1 1779672562 FTJOWXWPCNMCSL-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)no1 1781229409 DAIARWOAIVXODI-ZWKOTPCHSA-N 447.319 0.779 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331345 OXUXVVIEGFKBJC-GRDNDAEWSA-N 429.290 0.472 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786640 BVXAXLKPPJEOFI-ACJLOTCBSA-N 426.857 0.604 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1783876999 DECBRFPHGDRHQD-SCLBCKFNSA-N 433.839 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1783935257 PGNMBKMCDFYDHS-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1783964599 XVCGCIZGPBRYFO-RFGFWPKPSA-N 433.347 0.268 50 20 ICGD Cc1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1784686899 VJFDWTIULFVYEX-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785004406 KMTYGANWPZFMCI-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1Cl 1789452086 WEJUPRAHORHFAA-QSFXBCCZSA-N 442.708 0.927 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)C1 1792972721 KYGICYVGCXNUJP-HUXGKSLCSA-N 435.290 0.856 50 20 ICGD Cc1ncc(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975875 AUMJMEVTRTXHFX-JLUCKKNBSA-N 446.729 0.955 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C 1793005324 MTVYWXOGYKZWRQ-AFNXKQPVSA-N 444.536 0.194 50 20 ICGD CC(C)COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)ccn1 1796457954 RCAMCRFIMVQYFW-DFGXFYAUSA-N 425.913 0.919 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CSCSC1 1797846213 KLKOUKPDPGOBJL-AHDPXTMNSA-N 438.015 0.873 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(O)c1OC 1799662611 POEIBSOWEIOOTE-WJNVRWDZSA-N 428.869 0.212 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@@H]1c1ccccc1 1800924789 ZQLCANQFHPZCPL-WQIFRTTPSA-N 434.301 0.373 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1800979169 VSOXVGIVDLZRIO-QVHKTLOISA-N 427.885 0.556 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)OC(C)(C)C)C2 1800982263 AYBJFIHHUBGQJP-HLPPOEQASA-N 433.933 0.745 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1807290120 VCKXPJDSNNLHMV-IFXJQAMLSA-N 429.481 0.203 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362793 WLGMNEWZDBKAKX-OZOXKJRCSA-N 439.321 0.895 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n(C)n1 1807363461 PDPYUDHBJACOBS-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1810420237 HVWQXGPUFAHWBS-GCJKJVERSA-N 447.304 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1812416965 MTEVVTDGUSAVRA-MGPUTAFESA-N 448.487 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1813067796 DODOMHFSEQLJIW-RLFYNMQTSA-N 425.917 0.060 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCN2CCCC2)[C@H]1c1cccnc1 1813074787 VMBWXQUANJUBFP-XXBNENTESA-N 444.580 0.946 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCCC2)[nH]n1)c1cccc(B(O)O)c1 1817474388 FBKNFOQHFMTLHC-LJQANCHMSA-N 439.325 0.881 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824592774 XVRROXCMJAAMQI-KSSFIOAISA-N 444.536 0.430 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831656507 GDDCISOVOZROLJ-KUHUBIRLSA-N 442.900 0.425 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835078621 PNBPBZJOQAWORZ-MRXNPFEDSA-N 425.892 0.900 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835584484 DXLQMKSIFMGABC-YLJYHZDGSA-N 443.903 0.948 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)n(C)n3)CC2)CC1 1836205007 XJEDNBGABBGEKV-MRXNPFEDSA-N 441.960 0.868 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1836333936 QHGMXYVGRLPGNF-PXNSSMCTSA-N 442.944 0.288 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015609 DTLYDVRPRICLGN-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648624 OZTPFHFUAWWLPB-JKIFEVAISA-N 444.330 0.154 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838338266 VVWCMRSOKUIVAR-BBRMVZONSA-N 432.246 0.081 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839143846 JAPAKJPFCKJXJZ-KUHUBIRLSA-N 427.885 0.483 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839151771 CTOVNAJZLQWHIY-ZWKOTPCHSA-N 438.352 0.011 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c1 1839152324 WJUVANKASNXMAO-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839155599 YWMQLXYIEJCJHE-MSOLQXFVSA-N 447.319 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839499824 ZUMAVQZFUNRMHM-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840151442 BJEXFMBMOXKBPV-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840431675 OJNLGVGOTZQOEQ-XLIONFOSSA-N 438.601 0.827 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842894297 MRRMJQAPQWNNSS-XLIONFOSSA-N 444.580 0.909 50 20 ICGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843363532 KRPKQVYIKAJYCX-INIZCTEOSA-N 436.875 0.917 50 20 ICGD CSc1ncccc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844581547 JDSXJRONAMNNQP-UHFFFAOYSA-N 426.502 0.933 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847814203 XXHPDKWMTHDBBK-FBBFJSPUSA-N 435.506 0.228 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(OC)c1 732245817 CBNIXOIUVAWNGA-AWEZNQCLSA-N 444.510 0.136 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732465831 KFLRYTXBRRHUFI-ZPHPHTNESA-N 431.449 0.954 50 20 ICGD O=C1C[C@H](Cc2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)C(=O)N1 741143928 ASMQKKXMYORUDF-AWEZNQCLSA-N 443.485 0.260 50 20 ICGD Cc1nc(C=NNC(=O)C[C@H](C(=O)NN=Cc2csc(C)n2)N2CCOCC2)cs1 741766450 LMSIYLXYOHWMQX-MRXNPFEDSA-N 449.562 0.908 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 743293888 LSLQXQCSALBIOZ-UHFFFAOYSA-N 432.502 0.730 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 744446981 RAIGJWCHYWEZJR-NRFANRHFSA-N 425.445 0.279 50 20 ICGD COC(C)(C)C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745867340 QDBNRLZHNIMRSK-AWEZNQCLSA-N 442.538 0.855 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C(=O)N1c1cnn(C)c1 745916302 BTZLMSWEKJSSJY-DOMZBBRYSA-N 438.448 0.449 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 746219744 WRLLNUXQBYQILB-AWEZNQCLSA-N 445.484 0.681 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748464271 ASBIUADVIHHTII-UHFFFAOYSA-N 440.504 0.920 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cc(Cl)nc(N)n2)c1 753452265 QRQQWEWNUDWSGD-UHFFFAOYSA-N 429.890 0.048 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2coc(S(=O)(=O)NC)c2)c2ccccc2c1=O 755407131 IWSAOJDQCRKDND-UHFFFAOYSA-N 433.446 0.382 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cccc(C(N)=O)c3)CC2)cc1 755789338 KRVUTGZIQMAQEI-UHFFFAOYSA-N 443.529 0.551 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 762625055 UEDCVXWDXTXUEO-CQSZACIVSA-N 431.409 0.071 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n[nH]2)cc1 762949513 CPLGXLFPWDVSQV-WUWGZROLSA-N 437.456 0.697 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)CC)sc2c1CCN(C(=O)OCC)C2 763442535 AIUVKYKMCUQPKG-UHFFFAOYSA-N 440.478 0.935 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 763648883 XSIXTSXJQNEKNJ-UHFFFAOYSA-N 441.488 0.612 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 763674163 MDIVQDIHDYOMSX-UHFFFAOYSA-N 447.386 0.920 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763808585 YNHAPCDHASKZSV-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 764275537 NCPNVFWMDJMEAU-UHFFFAOYSA-N 430.808 0.791 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)c(=O)n(C)c1 764278623 UTFMNOYYQKSKMI-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 765544418 XJAGJWBFNVPEKG-LBPRGKRZSA-N 425.396 0.972 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 765665608 KPVQDXYVBKNKPD-VEVIJQCQSA-N 432.543 0.978 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766562491 DTRWSSIOSUCZDM-LBPRGKRZSA-N 433.827 0.804 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)cc1 768268707 RSHZNOCDYVXHAN-UHFFFAOYSA-N 447.455 0.660 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769059517 JLUBMCKFLZGMIR-INIZCTEOSA-N 445.480 0.839 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=S)Nc2ccccn2)C1=O 771270992 DQHZHLAGDTXVOH-IBGZPJMESA-N 428.474 0.875 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1F 772137836 SSBPAXZARVMVER-GFCCVEGCSA-N 430.454 0.927 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)cc1OC 774325784 BQTQYJPXEZGXDP-UHFFFAOYSA-N 436.490 0.806 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H](C)O1 776102073 LBTIIRMLVNBCCB-GASCZTMLSA-N 435.481 0.692 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)nc1 783264937 UGOUUHSGTJBYMS-UHFFFAOYSA-N 448.461 0.295 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ncccc3C)cc2)CC1 792376170 QSFLZKOQTZVEOP-UHFFFAOYSA-N 426.477 0.767 50 20 ICGD CN(C)N(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 792853883 HHGUAXZDWKYLBL-LSDHHAIUSA-N 446.570 0.385 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc12 792855354 RPFHUBQFJJPKPO-NEPJUHHUSA-N 427.552 0.554 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc2c(c1)OCCO2 798154431 IBDCLMSWALTTAV-UHFFFAOYSA-N 436.402 0.106 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 800353194 QWAZLBWMUVJMCJ-BLVKFPJESA-N 437.474 0.462 50 20 ICGD O=C(NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1cc(Br)c[nH]1 807149120 SEAFXKRFSXPEQU-UHFFFAOYSA-N 428.287 0.702 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)c1 810346093 CJONDEZTGVUXNY-UHFFFAOYSA-N 444.441 0.976 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 810392688 DVSMTHVADPRUCQ-ZDUSSCGKSA-N 435.256 0.494 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNc1ncnc2[nH]cnc12 810425039 XHTAHLVMRDOCOM-UHFFFAOYSA-N 432.285 0.599 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 815692149 KMPQQYPEIBYJIN-CYBMUJFWSA-N 436.476 0.703 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815751846 QWRUJGAKCUVFKN-UHFFFAOYSA-N 433.490 0.768 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914996847 UELAACALUNWDGF-AWEZNQCLSA-N 426.385 0.952 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1320907721 BXCVNGSFLTXSDY-CYBMUJFWSA-N 444.893 0.868 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN(C)Cc2ccccc2)CC1 1321894005 JORYKEITLMRHNK-UHFFFAOYSA-N 432.550 0.593 50 20 ICGD Cn1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2cccnc21 1778766284 UNLVXCDENLMPCJ-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779300982 CTYDTLBASRECBN-FQEVSTJZSA-N 446.617 0.738 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779488637 CADIOCRJOUQAFE-RZQQEMMASA-N 438.912 0.788 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@](C)(Cl)CCl)C1)C(=O)O 1780713307 QERQOSXUMRHXLH-RUZGCFLTSA-N 438.352 0.799 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332201 VONLCHGLQRLAMI-WBMJQRKESA-N 426.246 0.863 50 20 ICGD Cc1cc(C)nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1787191123 YKLPELOCKMKKRY-LNLFQRSKSA-N 431.537 0.665 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788724731 PLAILITXMIDAKK-IKOXMDCHSA-N 432.294 0.584 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983091 CHGOQUFZQYCPAQ-XLWJZTARSA-N 433.933 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C\C(=O)NC1CC1)C2 1796892051 XLJAGLPOWZWXNY-UVVYRZHCSA-N 440.504 0.593 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799180702 IFZBFCKTPXZBKV-OVYGPGRDSA-N 445.402 0.243 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799377931 CPDDBQKZLUZTIG-LAVAIGHBSA-N 438.289 0.037 50 20 ICGD COC(OC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799865676 HSEWOCRDTGPZMT-BCDXTJNWSA-N 447.536 0.590 50 20 ICGD Cc1cccc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)n[nH]c12 1800071208 DUGWXJGHMNTFJS-CWPLJXCYSA-N 448.288 0.068 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1800641739 IONXNKLMRDGNOL-RIILZEJGSA-N 428.327 0.584 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805246996 VUONPWKQIXVWJZ-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523332 UALYIRUBOAXGEQ-CVEARBPZSA-N 432.901 0.312 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807261510 XTTBCJASNOTUPJ-SFHVURJKSA-N 438.337 0.744 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807363981 RMUDMYRWUFXUFZ-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1808765380 ZXTOWKTTXMUQJM-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Cl)[C@H]2c2cccnc2)CC1 1809669676 VLQZZHYXWKGKJQ-WDSOQIARSA-N 439.919 0.786 50 20 ICGD Cc1nnc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)s1 1809967182 YSNZZBBSKWMFQC-UHFFFAOYSA-N 442.350 0.614 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1815702899 DAOLBGHOIREWPO-RYUDHWBXSA-N 445.904 0.845 50 20 ICGD O=C(CN1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817134079 UYEZCUXDAJPWTH-LJQANCHMSA-N 439.325 0.881 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCOC2)n[nH]1 1822950474 CEVSMCWFFAEJIB-LRDDRELGSA-N 427.465 0.751 50 20 ICGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](Cl)COC)CC2 1824509870 RPORSLIPJOUORL-NXEZZACHSA-N 433.987 0.793 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](O)CCl)CC3)cc21 1826196084 SGTFLMRIBKLZOZ-NVXWUHKLSA-N 437.928 0.460 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830545150 GPCBOTSEUAAYPI-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C(F)F)n1 1830727936 KWXSASCAQRMUMM-SJKOYZFVSA-N 436.843 0.027 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831346178 SDYSGRYKMZQWQG-UGKGYDQZSA-N 447.919 0.833 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1832294183 VQAIYYGOXFRTKN-ZWKOTPCHSA-N 438.352 0.548 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833213689 XPQGZZGAEQXOJS-UHFFFAOYSA-N 441.960 0.375 50 20 ICGD Cc1nnc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)s1 1833307877 CBKSJBRWWAMZKA-MRXNPFEDSA-N 444.001 0.950 50 20 ICGD CN(C)c1ncc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)o1 1834094963 YIXMBOPVISJEMF-HNNXBMFYSA-N 427.933 0.526 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834606080 LHOAKVMQUIHYJI-QZTJIDSGSA-N 433.288 0.946 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834734403 VQCZFDDBHSUKRE-SJORKVTESA-N 429.993 0.558 50 20 ICGD C[C@]1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1(F)F 1834800637 UJBQCXYAWGQYSV-OAQYLSRUSA-N 449.307 0.597 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818789 FETRPJYLDODWBR-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826516 QSKKDUIEUBEMOU-IMLGJKEDSA-N 427.299 0.664 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](F)Cl)CC4)CC3)cc21 1837580048 SFTZLKMKYXZMGT-MRXNPFEDSA-N 441.891 0.773 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n[nH]1 1837588892 GXUCPCCZHUNESV-ROUUACIJSA-N 433.336 0.953 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1C[C@H]2C[C@H]2C1 1839199958 ATDUFXBVJMWTEG-KAYRBKQESA-N 448.333 0.474 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839412299 PIOCWYGGZGSQFG-BUXKBTBVSA-N 448.850 0.994 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840155289 WEHCPHNTKRQQRZ-SWLSCSKDSA-N 439.734 0.624 50 20 ICGD O=C(c1ccc2nc(Br)nn2c1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350609 NCFWEAQBLNYJCP-LLVKDONJSA-N 442.701 0.909 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c2ccccc2c1=O 104704610 NYEHBQBMGIGLNB-UHFFFAOYSA-N 447.517 0.160 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)COc3ccc(F)cc3)cc2)NC(=O)NC1=O 726281623 ARZHZWVIZZBTOT-FQEVSTJZSA-N 429.408 0.790 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728319882 HEPGJRQQCFBKNT-KRWDZBQOSA-N 426.429 0.826 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 728851913 DLISETWIJRDJSN-UHFFFAOYSA-N 438.893 0.760 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccccc1Br 730569347 WDTAPVLVUWJMDW-UHFFFAOYSA-N 426.296 0.874 50 20 ICGD CC[C@H](OC)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 744313965 WTQUQHVRULKMNX-CABCVRRESA-N 443.522 0.525 50 20 ICGD CCOc1cc(C(=O)NNC(=O)NNC(=O)[C@H]2COCCO2)cc(OCC)c1OCC 746000017 WBZJSHNHKNKJKC-OAHLLOKOSA-N 440.453 0.273 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1C 750075152 ABDRUCVWNARVPI-BOPFTXTBSA-N 435.506 0.882 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2nc(Br)cn3ccnc23)C1 750247772 UYLXIXFSYNTJBR-JTQLQIEISA-N 431.316 0.997 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 750947495 FEBIJPMUOSPPCK-UHFFFAOYSA-N 449.558 0.612 50 20 ICGD CC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)C(=O)N1CCOCC1 753055831 FRXUNNSPECUJRT-CQSZACIVSA-N 428.515 0.032 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cccc(S(N)(=O)=O)c2C)c2ccccc2c1=O 753890181 ZDHJKCVMBHNDMW-UHFFFAOYSA-N 443.485 0.837 50 20 ICGD COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 756932266 YBHCZKPTZGPWAZ-GFCCVEGCSA-N 431.474 0.622 50 20 ICGD CN(NC(=O)Cn1nc2ccccn2c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785761 FPKFIYSSGXPNJU-UHFFFAOYSA-N 433.469 0.132 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCS(=O)(=O)NCC1CCC1 761686572 YTJSBGQCHDFMID-UHFFFAOYSA-N 430.552 0.837 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)nc2)CC1 761789374 HDTGVHTZOLZYFI-ZACQAIPSSA-N 438.554 0.601 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 763668137 JTFLMVUOIOLWIV-UHFFFAOYSA-N 441.488 0.968 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 763668304 KVRCDALXZHLKQK-UHFFFAOYSA-N 439.472 0.994 50 20 ICGD O=C(NNC(=O)C1=S=C2CCCC2=C1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763783889 QHYIKKDXNRWKQI-UHFFFAOYSA-N 443.453 0.971 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 763804073 KBQQDRJQNKQDJX-UHFFFAOYSA-N 429.345 0.205 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 763876160 COZSWSAAJWXOSY-CYBMUJFWSA-N 447.469 0.846 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)cc1 763938259 CRERBLHCNWPMQV-UHFFFAOYSA-N 441.263 0.774 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)Cn3cnc4ccc(Br)cc4c3=O)nc21 770973484 CYBXMKBHRGIJFC-UHFFFAOYSA-N 445.237 0.685 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 771933228 ULNCCTOHGLUWQA-LBPRGKRZSA-N 429.470 0.716 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nn1 773500143 QZGKAUJMGVNFJJ-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1F 773888228 GXXCMWQOKVPRGM-UHFFFAOYSA-N 427.392 0.932 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CC(C)C[C@@H]1C(=O)NNC(=O)c1ncccc1C 775888220 WHKSNDFRGSZQRN-HOTGVXAUSA-N 438.488 0.978 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1C(N)=O 784214619 ANDLOCWYPHLKAV-UHFFFAOYSA-N 431.474 0.616 50 20 ICGD CC(C)CN1C[C@H]2CN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CCN2C1=O 787739096 KYBBIOQMQFNEKC-MRXNPFEDSA-N 427.469 0.095 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccccc2S(N)(=O)=O)c1 788222856 BFDZXPQQABQGPS-UHFFFAOYSA-N 440.503 0.348 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C 790252986 TXFYEQUUGCOKFR-ACSPXDACSA-N 434.562 0.990 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 797012278 OOEFOWFXWTWQJQ-JTQLQIEISA-N 427.282 0.808 50 20 ICGD COc1cncc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 799123981 FBGPIDHNAKXBGF-UHFFFAOYSA-N 433.534 0.526 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802103523 UFCSAEICMAPYPH-LLVKDONJSA-N 431.430 0.807 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 808045615 OGQGXSURIHDOAF-CABCVRRESA-N 427.498 0.905 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 811878729 MOYYDZNEBRUXAH-CYBMUJFWSA-N 446.485 0.512 50 20 ICGD COc1ccc(CNC(=O)NNc2ccccc2S(C)(=O)=O)cc1S(N)(=O)=O 812429268 IMJQNXDLHQEJEZ-UHFFFAOYSA-N 428.492 0.572 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc(C(=O)OC)c1 815593834 YYICJYHWODZNHA-UHFFFAOYSA-N 448.457 0.197 50 20 ICGD O=C(NNC(=O)c1cc(O)nc(C2CC2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 816829782 DWMSGYPAUHEGNL-UHFFFAOYSA-N 431.474 0.919 50 20 ICGD COCCN(CC(=O)NNC(=O)c1ccc(C)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 841528969 XIQFFOBKKUWENA-UHFFFAOYSA-N 446.508 0.410 50 20 ICGD O=C(NC[C@H]1COCCO1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 918108482 KDUBUBZCLYPGEO-LBPRGKRZSA-N 440.503 0.908 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 1252859161 GCLHHKIHVRZHNH-UHFFFAOYSA-N 437.499 0.564 50 20 ICGD O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317924337 UOMMLDWIQXLMLS-JTQLQIEISA-N 442.544 0.510 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780487024 VIZSWQHSDCCHDP-NRFANRHFSA-N 430.216 0.402 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781022675 BIVSUTATNUEQIB-KUHUBIRLSA-N 433.933 0.983 50 20 ICGD COc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1781187601 IZWORADYBFQKEU-KXBFYZLASA-N 441.868 0.576 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781375206 HMUKRZOCWSNXEC-UZUQRXQVSA-N 438.289 0.277 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)[S@@](=O)c1ccccc1 1782679643 VBRUKIMYBPFBOI-MLIIWOFNSA-N 428.938 0.612 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783347318 GYPNENBXOAJARF-QFYYESIMSA-N 429.271 0.505 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945341 IAEADYPTMNBUJR-HNNXBMFYSA-N 428.338 0.046 50 20 ICGD COC(=O)CCCCCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784049062 NHJPDMGDGGIXAW-OAQYLSRUSA-N 440.541 0.313 50 20 ICGD Nc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)sc2nccnc12 1784089928 MGXGZYXKJZDDFM-BJDJZHNGSA-N 439.925 0.467 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784095942 QDVNXGNYWCSOOU-AJNGGQMLSA-N 433.933 0.481 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984344 GXKKOTUKYLQAJZ-WMBCKCKVSA-N 440.330 0.735 50 20 ICGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ccc2c1OCCO2 1787359446 GFNHHTAFQNLICM-SCNOPHJPSA-N 438.908 0.959 50 20 ICGD CS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1787837650 JKHCLCVSTZNKGS-UHFFFAOYSA-N 430.291 0.159 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1cncn1 1788149498 ZSRCEHZWAJPMFC-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C[C@@H]21 1788607752 DZQRFCVPDFBECZ-XYNXIRJESA-N 427.505 0.325 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnccc1Cl 1788799104 ZJSZREAEYNUWPJ-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n[nH]1 1789325746 SHOLAAHYJJXOBJ-MPGHIAIKSA-N 434.541 0.499 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21)[C@H](F)Br 1789923117 ZHPSHBXAWBDIOD-YXWQFLTLSA-N 436.322 0.379 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2)c1cccc(B(O)O)c1 1795740699 IRRAJHVHESHZSQ-WQIFRTTPSA-N 434.301 0.373 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(-n2cnnc2)cc1 1796187029 HTDAUEJKCDBENF-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1CSCSC1 1796191497 RAUJNSSDFSKESZ-RUGDWHBFSA-N 449.407 0.661 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnn2cccnc12 1797368995 LLNZOKHPGOUHHF-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CSCSC1 1797846215 KLKOUKPDPGOBJL-RMEBNNNOSA-N 438.015 0.873 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)Br)C3)CC1 1797936634 HXRWIMLPOOSMBO-HNKHHVNMSA-N 429.359 0.572 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc(F)cc1F)C2 1798439634 QMRMUQHNPVYACA-CLLJXQQHSA-N 430.415 0.924 50 20 ICGD Cc1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2[nH]1 1800114917 OLCTYFBPVZIRSH-HATOLVCRSA-N 447.300 0.673 50 20 ICGD C[C@@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1803140052 AQEJAMZUESQVQS-WZGPROSRSA-N 437.972 0.323 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)nn1C 1805589959 LGSMKNQFBHXGAG-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807108758 AVODRGMCFRCWLM-BEFAXECRSA-N 443.508 0.653 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncs2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365614 VWJDWJVUPNMLRT-QFBILLFUSA-N 436.302 0.851 50 20 ICGD CC(=O)c1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n[nH]1 1807930110 VZPNTIWBTKVMFK-UHFFFAOYSA-N 438.293 0.451 50 20 ICGD Cc1nn(C)c(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1F 1809967686 FBPBUECGRZFEOE-UHFFFAOYSA-N 442.300 0.706 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)[C@H]1c1cccnc1 1810295675 VEJVJCPBMCFWBF-DHXZDTOLSA-N 426.452 0.758 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnc[nH]2)[C@H]1c1cccnc1 1810299501 RDGRFCFKFUBKGB-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067919 HJQTZOYCBMVBIY-WLKXKRCBSA-N 433.553 0.867 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814848127 OPOUPBNXCDMNIY-PZSREKOKSA-N 430.339 0.422 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350358 RVSSHIAPZOTXJL-XJKSGUPXSA-N 431.323 0.456 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598579 FGRSSVOSYCXMHU-ZYHUDNBSSA-N 426.861 0.207 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821624047 XYSGCHCKQFNKJK-KBXCAEBGSA-N 427.314 0.736 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)COC)n[nH]1 1822369157 GFDOUDMXDATQBL-YRGRVCCFSA-N 449.961 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822373157 WCVQSCRRBGVORF-PWSUYJOCSA-N 435.872 0.858 50 20 ICGD CCNC(=S)NCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1826004132 CZSZOZDRCGJESX-VHSXEESVSA-N 433.987 0.793 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732138 VHLLLBLHDXQNJH-DYVFJYSZSA-N 436.267 0.544 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249024 IERQFOCRMWKALM-UFBFGSQYSA-N 438.733 0.332 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1832549258 JZBHGVGVZOFUPD-IFXJQAMLSA-N 444.916 0.489 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834694354 YBMCJGHCLCGFNT-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836411018 XSFXMFUCMRSHAA-MRXNPFEDSA-N 434.375 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1840155620 FUDYJWAGBUCLOT-DJPFJPOOSA-N 439.940 0.970 50 20 ICGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840186732 NSBMRNCOIITDAB-GOSISDBHSA-N 445.303 0.072 50 20 ICGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187580 KIYSGFKUMZTQIE-QGZVFWFLSA-N 435.308 0.403 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1 1844263179 BRYNFBWZYSUZJL-GOSISDBHSA-N 439.472 0.244 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 28029450 GNVUBSRSVDNDFN-CYBMUJFWSA-N 438.531 0.400 50 20 ICGD O=C(NNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 729171104 LMEFQBRIIXKYDW-YPMHNXCESA-N 431.923 0.437 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730778303 FWMDAXPAKBXUFO-CQSZACIVSA-N 427.413 0.743 50 20 ICGD CCOC(=O)/C(C#N)=C\NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 730970362 ZSVRHIQAXLGLBF-QXMHVHEDSA-N 425.423 0.503 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731622626 NSIJFMMJDXSAQO-GVDBMIGSSA-N 432.502 0.429 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCn2cnc3ccccc32)cc1 732594468 DBLOTLSYPASBKH-UHFFFAOYSA-N 444.517 0.996 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 742589557 QHLCTNKOKKHSCG-UXOAXIEHSA-N 440.378 0.698 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 745988300 XGLXKTIGOSLJSZ-UHFFFAOYSA-N 438.531 0.956 50 20 ICGD COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc([N+](=O)[O-])c1 748128269 YLSMLKCENOQGAO-UHFFFAOYSA-N 436.402 0.693 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1 748837192 ADETVXKPZKKKQA-CQSZACIVSA-N 448.505 0.254 50 20 ICGD CCOCCCn1c(NNC(=O)CCC(=O)N2CCOCC2)nc2ccccc2c1=O 752044027 WUBWUUZCQFJQMX-UHFFFAOYSA-N 431.493 0.905 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 752781430 YWJJIIDZUQPRLD-GFCCVEGCSA-N 439.446 0.972 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCCS2(=O)=O)nc1 753274112 QXRJUARNEIKWHF-CYBMUJFWSA-N 433.556 0.706 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 756640152 JYAPLISDNYDMBJ-UHFFFAOYSA-N 433.494 0.454 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763571268 LNGODLWQMOJKBT-KRWDZBQOSA-N 428.401 0.580 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1C(=O)N(C)C 763575583 YARBFWLHKPFUPS-QGZVFWFLSA-N 426.429 0.623 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763820317 FMXVABZDYRFQOZ-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccc[nH]1 763979546 MMNMXHJTCXRYKE-UHFFFAOYSA-N 433.490 0.396 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 764004366 FKCGDVBNAMLSFL-UHFFFAOYSA-N 426.202 0.425 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 764230675 JCVRFOKAMQBHFJ-SNVBAGLBSA-N 439.425 0.037 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2O1 764313014 GOIUSMVYLKLZJQ-SFHVURJKSA-N 442.447 0.836 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 764433884 OQUCFQZSCBJIPC-AWEZNQCLSA-N 436.808 0.687 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 764516904 XOUDHHVVCXCNJF-GOSISDBHSA-N 439.472 0.498 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 764577339 LYTLCCFPKABCCY-OAHLLOKOSA-N 431.453 0.449 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)CSc1ccccc1O 765248393 HMJRZLDPHDKDGP-UHFFFAOYSA-N 437.499 0.640 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 765412938 BCVJXMYNSOYARH-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1Cc2ccccc2C1=O 765737070 UZCWLWPYEVOEAU-UHFFFAOYSA-N 435.484 0.248 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1 773068908 ARZSRXZXRUXURI-UHFFFAOYSA-N 439.881 0.823 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnccc3N(C)C)CC2)cc1 776187145 AOMHBOSHEJJZRV-UHFFFAOYSA-N 444.561 0.913 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)nc1 782144843 DIUIBENWJCUANL-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 782416083 BEJAGJVYYGDKKN-UHFFFAOYSA-N 446.460 0.888 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 784000606 WLKGRKYMHVXVDN-UHFFFAOYSA-N 429.477 0.411 50 20 ICGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 784005190 TXJVUDLMSFNKRY-UHFFFAOYSA-N 437.409 0.581 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)n1 785226024 CJTJHYQTZQLOTC-HNNXBMFYSA-N 428.449 0.733 50 20 ICGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 793770287 AXRZYIZIQSYHCE-UHFFFAOYSA-N 429.868 0.953 50 20 ICGD CCn1nc(C)c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 794201206 SMGRSXCNFPHPSB-UHFFFAOYSA-N 449.533 0.544 50 20 ICGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1 797632226 YIESTFYWJYAGLE-UHFFFAOYSA-N 442.476 0.926 50 20 ICGD O=C(NNC(=O)C1(c2ccc(I)cc2)CC1)[C@H]1CCS(=O)(=O)C1 799863337 BVLJKXQKKQYDIL-JTQLQIEISA-N 448.282 0.905 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 801106256 RGXIIIUJAAEUIO-ZDUSSCGKSA-N 429.389 0.887 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 802069003 SWUPXZLBDUASBY-GREKMHCPSA-N 432.458 0.050 50 20 ICGD C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807507388 QNAZHTZILJWRKN-HOCLYGCPSA-N 440.522 0.324 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)C(C)C)c2ccccc2c1=O 812440055 YQNVVQLMPOXVOQ-UHFFFAOYSA-N 437.522 0.964 50 20 ICGD Cc1nn(C)c2cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc12 812992108 YWWRDMFPYWZBOV-UHFFFAOYSA-N 438.444 0.894 50 20 ICGD CS(=O)(=O)c1ccc(-c2csc(CC(=O)NNC(=O)C(=O)N3CCCC3)n2)cc1 815163786 RGECZODCMZYHEK-UHFFFAOYSA-N 436.515 0.526 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cnc2C)cc1C 815273600 RTQKSLCQOBVLNO-UHFFFAOYSA-N 440.503 0.588 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1OC(F)(F)F 815691876 DKMQPHJDCVVXBX-SECBINFHSA-N 437.338 0.397 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1 816405568 SWKCPJYYCNUXLZ-LBPRGKRZSA-N 448.505 0.689 50 20 ICGD O=C(CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)NNC(=O)c1cccc([N+](=O)[O-])c1 856544532 OAIFHTYKYWURIZ-DLBZAZTESA-N 426.433 0.206 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915684908 MHAKDMZVXLNSKW-YJBOKZPZSA-N 426.408 0.892 50 20 ICGD O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 915895271 ZQJRBAISGSGVTK-IBGZPJMESA-N 436.476 0.507 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2ccc3c(c2)OCO3)c1 915934037 UEMQLSJFXBDPGR-UHFFFAOYSA-N 434.474 0.852 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1ccccn1 916737609 NYKVQFOKWOLFPN-UHFFFAOYSA-N 433.490 0.888 50 20 ICGD Cc1[nH]nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1Br 917501412 UUDDASZADJZUIX-UHFFFAOYSA-N 430.284 0.806 50 20 ICGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 918210414 VDWQFWASCKZGSW-SUMWQHHRSA-N 434.518 0.433 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 918717317 OGSYAUYRZKWNDU-UHFFFAOYSA-N 441.560 0.746 50 20 ICGD CSc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 919678222 WERRJUMGKNBRFW-UHFFFAOYSA-N 436.515 0.899 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 919743625 PWOKUTHFMAHFRQ-JTQLQIEISA-N 446.532 0.248 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1C 920274143 LNUYBRQCJBMINI-LBPRGKRZSA-N 428.449 0.527 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 1319963026 LRQDQWCRKXKSSV-UHFFFAOYSA-N 441.491 0.093 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1778091114 NTCDCRTYTMNRSC-DHSLWRBWSA-N 442.480 0.066 50 20 ICGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1778235544 ORWDULBKZAFOOF-XAUMDUMWSA-N 442.944 0.911 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778557753 KQFIPCWQRXTUMQ-SJCJKPOMSA-N 427.299 0.893 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934731 GSBVXMDURZLWSO-JOCHJYFZSA-N 432.521 0.902 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cc(CO)on3)CCC2)cc1)c1ccc(B(O)O)cc1 1788144656 ZULRACIZPUGMRO-UHFFFAOYSA-N 435.245 0.908 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788562421 PKNASYYXOBKIJT-XUXIUFHCSA-N 433.347 0.459 50 20 ICGD Cc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788610345 NBZTUKGENYQTQW-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791287385 PTABUFYOGKQLFB-CXFMUKIQSA-N 439.278 0.272 50 20 ICGD O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791601985 KSVIVJXBWMQXSI-IHRRRGAJSA-N 427.299 0.620 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 1793609604 XOAZMAZRXXEOFO-LTAJLKHCSA-N 430.929 0.809 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21)c1ccc(B(O)O)cc1 1793955577 IWNGTKHXIJMYSH-BCDXTJNWSA-N 433.277 0.063 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1)C2)c1cccc(B(O)O)c1 1795739909 OPGLTMFUBXLSRW-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)cc1 1796362515 DDQNVKPURZWEKG-DLTLXFJOSA-N 432.901 0.893 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)c(F)c1 1799477333 WBTYBICZRJUKDF-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802557272 OVLKAVKZOZTOAW-DENIHFKCSA-N 436.321 0.177 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803937776 AARKXQBJCYCKDF-HLAWJBBLSA-N 436.321 0.175 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)cn1 1806106901 LXFNRWZEFQMNGB-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807369415 JADMWGTWPHPYET-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCO1 1807753304 LPSWJGVKLRDXFD-RXVVDRJESA-N 435.289 0.775 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809682900 MECNDFRUCSRMQD-KBPBESRZSA-N 431.375 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1 1813069028 SDMFIEXTALFKSW-VGSWGCGISA-N 439.520 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813179465 VYMNFHXNBPZOEG-DOXZYTNZSA-N 434.880 0.266 50 20 ICGD Cn1cncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355171 QNYQKSKCLPNNRA-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD Cc1nn[nH]c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817721102 CFSYFRPCCMRENX-CQSZACIVSA-N 438.452 0.454 50 20 ICGD O=C(CCc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1824480105 IZTDCXORYBDJRG-CMPLNLGQSA-N 425.898 0.783 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1830535251 KKZJLORTKNIGLA-YVEFUNNKSA-N 445.314 0.227 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1831870337 XBVRATSYSVMNNH-ROUUACIJSA-N 435.569 0.505 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834823033 FKWMIVYVFUBRGI-GOSISDBHSA-N 443.342 0.838 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836621647 FGSOCFLCBHYCIU-HNNXBMFYSA-N 442.944 0.848 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255015 ZNQOLXORCBWJLE-DHJFXDNESA-N 448.347 0.514 50 20 ICGD CN(C)CCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837803801 KQUCYTBBMHYZIN-UHFFFAOYSA-N 425.574 0.310 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838177550 AKFKZBKLKKNLQJ-OXQOHEQNSA-N 441.912 0.722 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839119468 GGCBKKIOCKYHQM-ZTFGCOKTSA-N 432.359 0.616 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839197465 XJERKWBOUOEQMF-YOEHRIQHSA-N 436.322 0.475 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202169 WJBPYEUKZYAWOC-WBVHZDCISA-N 447.305 0.716 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839716804 CUNDLJJZYAESLQ-GUYCJALGSA-N 429.315 0.431 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839952421 FEGLQTKLGJOHHJ-JXFKEZNVSA-N 426.897 0.294 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840031861 DWINAEFMGOVRQI-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840033997 WVZQRNRXVJBOES-MEDUHNTESA-N 447.717 0.983 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035628 YEXNQUDEFYVJEL-DYVFJYSZSA-N 429.315 0.431 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840149509 RJDAOELSULZVHE-KSSFIOAISA-N 448.303 0.764 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840322972 JCHPBIRNJPRADP-KSSFIOAISA-N 443.342 0.830 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840434214 UGYPMYPHVAWQKF-RVKKMQEKSA-N 443.342 0.759 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841351140 GYJNJNADOGHTPL-QLFBSQMISA-N 445.944 0.407 50 20 ICGD O=C(c1cn2cc(Cl)ccc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014117 YZXMOEADGXPNFC-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718376 HKLHUNDYCKEBLH-ZMOGYAJESA-N 435.448 0.075 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1847060371 QMKFKDPTRPXOOK-MRXNPFEDSA-N 429.521 0.381 50 20 ICGD CN(C)C(=O)[C@@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 15466414 IUTSRRJVBQRKAI-IBGZPJMESA-N 446.529 0.771 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 15525058 SGQVYVQPSCDKIB-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 23370368 JFFMICUXWPXJFH-KDURUIRLSA-N 429.565 0.878 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 25166477 HGAUIWXNNFGTPY-UHFFFAOYSA-N 442.497 0.973 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 26692357 XLCKFNMUIMLNRE-GOSISDBHSA-N 448.453 0.609 50 20 ICGD COc1cc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OC(C)C 725872986 UJJSGVKJSPHPPQ-UHFFFAOYSA-N 449.489 0.949 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728343015 OQGOVYSVWHDCQK-MPGHIAIKSA-N 447.488 0.802 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 728512123 LKGAHBBFYHKHRF-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H](C)CN2CCN(C)CC2)nc1 730133804 GNFSCCYWRSJULW-OAHLLOKOSA-N 427.575 0.374 50 20 ICGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 730205355 MMJMLCIVZYCLGD-ZDUSSCGKSA-N 430.914 0.930 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NN=c2cc[nH]c3ccccc23)c1 730289398 SDHPIKJTRBOMSQ-UHFFFAOYSA-N 427.486 0.780 50 20 ICGD CO[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C(F)(F)F 733661139 RPZZHZONROEABR-GFCCVEGCSA-N 426.417 0.523 50 20 ICGD CN1CC[C@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1=O 739065087 ZDBZLXMCDFBISN-KRWDZBQOSA-N 434.460 0.563 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@H]2CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 741763208 YLNVAFVXURMGKX-NSHDSACASA-N 440.526 0.368 50 20 ICGD C[C@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 745863519 WGTAULBIFFLQQK-HXUWFJFHSA-N 445.612 0.413 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn(CCOC)c2)c2ccccc2c1=O 747777320 JLXABZONTDCOKQ-UHFFFAOYSA-N 434.478 0.273 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)c1 747956809 VRHHFYRKVHDVCN-INIZCTEOSA-N 444.444 0.924 50 20 ICGD Cn1c(O)ncc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1=O 751457131 FCKIFKCDWVMTLI-UHFFFAOYSA-N 431.412 0.808 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2)CC1 752634645 URYZRKMVBPPFPQ-UHFFFAOYSA-N 443.529 0.803 50 20 ICGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 753669748 KDAXXVPQEDQILM-SNVBAGLBSA-N 444.457 0.888 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)c1csc(N2CCOCC2)n1 753800609 WWCHMGUHKBNLLN-KGLIPLIRSA-N 443.551 0.376 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 760334644 KKOFVLXOGQCFRU-UHFFFAOYSA-N 426.451 0.809 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cncnc1)N(S(C)(=O)=O)CC2 760802426 XOKAJCUXSAKXMG-HNNXBMFYSA-N 449.489 0.204 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1cccc2cnccc12 763825574 RRNLIBZKHQSFOK-UHFFFAOYSA-N 430.428 0.710 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 764005022 RQRBXSDZYNYDNN-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2OC)cc1 764011391 GUJUBGGUQPCIOL-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc(S(C)(=O)=O)c1 764178724 IEPBQQNETFZDKC-UHFFFAOYSA-N 439.490 0.933 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764193343 UXMGHONMJNWWHT-UHFFFAOYSA-N 448.476 0.985 50 20 ICGD COC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2C(F)(F)F)CC1 764204004 GXFZQQYIZVTDFR-UHFFFAOYSA-N 445.442 0.968 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)c1 764225673 CACMTKQVPFRYRD-SECBINFHSA-N 435.300 0.090 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cc1ccccc1 764226120 GBHNXDBGIPTCPR-CYBMUJFWSA-N 448.501 0.310 50 20 ICGD CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c2)n1 764399212 JUZCNERQHQRNSF-GFCCVEGCSA-N 431.449 0.549 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cn(C)nc1C 764818452 LAYSHJGDJHCMLS-UHFFFAOYSA-N 432.550 0.884 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(N3CCCCC3)s2)n(C)c1=O 764818828 WLVKHFSKLZRVPV-UHFFFAOYSA-N 429.506 0.636 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n[nH]1 765602791 WUNBFTIUIDZDIT-UHFFFAOYSA-N 432.462 0.739 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)NC2(CCCCC2)C1=O 767240269 NSSHSJDSFYVWSM-UHFFFAOYSA-N 430.461 0.483 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H](C)O1 767823431 UNGYNQIONXVPCX-BZUAXINKSA-N 428.530 0.659 50 20 ICGD C[C@H](CNC(=O)NNc1nc(O)c2cnn(C)c2n1)N1CCN(c2ccccc2)CC1 770343070 XNFJGJVKNJRTKB-CQSZACIVSA-N 425.497 0.906 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CNc2ccccc2)C1=O 771540626 VJFPBWXHKXFSNP-NRFANRHFSA-N 425.445 0.722 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)nn1 773494645 WFEYEFWLQXJTRB-UHFFFAOYSA-N 448.487 0.818 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccn1 777273428 BQIYXUBJYTVXCX-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)ccc21 778712856 LGFOGDOZCGEDOC-GOSISDBHSA-N 438.440 0.312 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc(C#N)n1C 779582824 YRAOCRIATJPZQT-WSDUQJHMSA-N 431.518 0.765 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1OCC(F)(F)F 784003462 XFFJUDNKCFNULB-UHFFFAOYSA-N 432.355 0.345 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(F)cc1F 785060698 JOMWTJLPYSVPRN-UHFFFAOYSA-N 431.355 0.728 50 20 ICGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 788478882 WCOHFXZWAMOUHB-UHFFFAOYSA-N 445.457 0.782 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C(=O)O 795280896 ONMWDDZDTPYVIP-UHFFFAOYSA-N 441.487 0.567 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 796125958 LRDOGSJIYYNUNK-ZDUSSCGKSA-N 446.957 0.713 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 806973586 SEPLUUXGZGBOIK-UHFFFAOYSA-N 428.445 0.952 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)S(N)(=O)=O 807299001 MOLNQTCBQNFZTM-VIFPVBQESA-N 446.411 0.399 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810387441 WTPUQFMDOSVNFL-MRVPVSSYSA-N 433.215 0.495 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)cc1 813033101 FGKJPPSOIJDXRK-UHFFFAOYSA-N 434.400 0.771 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 815692328 OLABERONXOIRAG-LLVKDONJSA-N 433.419 0.505 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816873981 RVAXDOIUBQFKDE-GOEBONIOSA-N 441.448 0.509 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 914846394 IAWZZHJWJIXDAR-UHFFFAOYSA-N 443.507 0.206 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 916726570 NXHMRTKGEJQWRF-CYBMUJFWSA-N 436.490 0.890 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnn1-c1ccncc1 1324904627 FLHCHTNKGXVYIT-SFHVURJKSA-N 437.412 0.720 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 1325263623 VZOIKHHAGMSCRH-UHFFFAOYSA-N 428.268 0.641 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1779035467 IFHYNQGJCHRKRM-XMMPIXPASA-N 449.511 0.544 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1OC 1781816412 MPUMLPZALJBSAQ-YJYMSZOUSA-N 430.860 0.886 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782388391 PZEATPLIKHOQDX-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cn1 1784090824 NRTPSCZBTABPEW-UGQVUOCMSA-N 425.869 0.061 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1784618928 VJBOLTXTXMXOLS-VJANTYMQSA-N 442.988 0.538 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787084825 VPUKLDVWHZUYCG-ABHRYQDASA-N 442.310 0.773 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]21 1791291565 ZNWKUHUXIKHLCH-IHRRRGAJSA-N 434.459 0.682 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794583171 BNNTZJBMXJRWLJ-ZMJPVWNMSA-N 429.315 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccs1 1795826406 DDZZWWHXTZHMHB-IVWMJMPLSA-N 429.502 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2nccnc2c1N 1796161622 LFMQZTRUIWNKFR-CLLJXQQHSA-N 445.549 0.898 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1)c1cccc(B(O)O)c1 1796766246 JHHUTYOUDXQAJT-LRSLUSHPSA-N 433.317 0.333 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc2nncn2c1 1797463827 CNFPFEDAPIBVAB-XCCSTKFXSA-N 426.246 0.623 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797558410 NWBPXBRBSJUZSV-OEYIWLLWSA-N 436.310 0.964 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1800641271 WEVWVSQKUOLTQS-XFMPKHEZSA-N 432.315 0.592 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800979729 XCFQRTPMXYLMKY-YXPYIKCWSA-N 431.880 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2 1801011502 QNPSTPBFYSMNAF-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802598418 WVTPSNNJBPMKFE-MJGOQNOKSA-N 425.294 0.506 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802976278 GICBKMJEIUPAOR-JONQDZQNSA-N 438.488 0.799 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)c(=O)nc1O 1804097642 SGGSHTONKSOTFT-NOHGZBONSA-N 431.262 0.586 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804460315 YIJFENFOFYGDJX-WDYCEAGBSA-N 447.923 0.835 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1804896859 CSODVEWDNSGPIW-FOIQADDNSA-N 443.508 0.213 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807330313 WIRWXLRIKJJHDG-XMSQKQJNSA-N 432.569 0.849 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362331 GJHPETQCQYJIMZ-PKOBYXMFSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369569 OTMGGBCRUDROLM-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374190 JQOHFOPLQFOXRX-GDBMZVCRSA-N 436.104 0.885 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810432585 GQBLIZULOCFNGT-OZOXKJRCSA-N 439.321 0.895 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1814919079 QLMMMDSEVMAKSN-VIFPVBQESA-N 429.344 0.680 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478827 CEAAYLNVCJYKND-OAHLLOKOSA-N 446.294 0.213 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)CC1 1818963977 SWCKPATYEVGAKE-CVEARBPZSA-N 440.932 0.166 50 20 ICGD COC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792986 FUUGJPBAJQWLHT-MNOVXSKESA-N 432.506 0.650 50 20 ICGD CCOCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819802213 ZZPVBPITFWSPRW-NSHDSACASA-N 432.506 0.794 50 20 ICGD CN(CC(=O)N[C@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)C(=O)O 1820169091 KIFOUZFCRHRJOG-JTQLQIEISA-N 442.570 0.450 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1 1820536334 CVQQSJNLRQQLCO-NSHDSACASA-N 435.506 0.827 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822986830 DUTZUVVLYPXDKD-IVWKQIGUSA-N 448.505 0.198 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)Br)CC1 1826935029 MQOSKLWXPZAVNC-VNHYZAJKSA-N 435.338 0.889 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1830537398 GTAHRKOFONOTDQ-ACJLOTCBSA-N 443.294 0.741 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831888909 KJBHGFZJIBZYTK-VQTJNVASSA-N 448.394 0.714 50 20 ICGD C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(F)(F)F 1832155418 XYGZBFNBRAWOIJ-UONOGXRCSA-N 447.248 0.541 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122929 ZNZMSWFLVJQXTL-WMLDXEAASA-N 428.961 0.338 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cn1 1833806509 CFTXXCRPERCVSL-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835292777 LDGPVHZFVFVDMM-FUHIMQAGSA-N 426.897 0.430 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835708312 XAKOLVJBDVFSMF-JCKWVBRZSA-N 441.326 0.321 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929533 UOSSNTJGURTENP-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837747466 NWRLXZJCWPPOEA-TWOQFEAHSA-N 440.928 0.592 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Br)CC2)CC1)C(=O)O 1837886611 OPLKDEXUTYSMFZ-SWLSCSKDSA-N 448.358 0.831 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260573 UFJYTQJSZDKFHW-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151026 FVUDAOHYKDTUHN-ROUUACIJSA-N 449.335 0.735 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1840149847 BYFZKRRQGCBYOY-BXWFABGCSA-N 428.917 0.229 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cn1 1840465643 KPDUFIDUBHGWQV-MSOLQXFVSA-N 433.336 0.655 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840639141 CCURQGXNKODIGF-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1841924627 JOPMVUREFWPEIJ-LBPRGKRZSA-N 439.900 0.719 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842736727 NMEJJBJAGMYTMT-HNNXBMFYSA-N 430.417 0.616 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843010510 WTLGVPKOYGBQQG-JCNLHEQBSA-N 428.294 0.163 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)[S@@](=O)c1ccccc1 1843012086 BWYGBAMYMQCGKD-AZYRPFHASA-N 440.330 0.380 50 20 ICGD O=C(c1ncccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014144 CEYJRRZTSKVVQN-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)C[C@H]1CO2 1845077899 WRDVQQSJESTGDB-MNVSYLFESA-N 443.928 0.568 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 26772747 UCCVHLIUAHOBJB-CYBMUJFWSA-N 438.531 0.643 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 726076842 GQXJAPKJKFZFRL-DJJJIMSYSA-N 427.571 0.997 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 727764769 LYQGNVGLJKHKRX-UHFFFAOYSA-N 449.493 0.728 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728848108 VODXRXUAPBMYRZ-UHFFFAOYSA-N 448.505 0.336 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)Cc3cc[nH]n3)nnc12 730102268 MEGMBDWWSFQEOV-UHFFFAOYSA-N 438.473 0.436 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCn3ccnn3)c2)cc1 732048941 BZNUBTFIWURMHV-UHFFFAOYSA-N 444.473 0.939 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240265 LWTMIKUNBKRNHF-QINSGFPZSA-N 430.469 0.835 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 737474548 VPASLDPOBSEPHN-LLVKDONJSA-N 429.408 0.308 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cn2ccccc2n1 746549698 UVYDZCKZXMQXSZ-UHFFFAOYSA-N 440.485 0.619 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CN1C1CC1 753942321 DEBCPKZVTATGGF-HUUCEWRRSA-N 437.570 0.269 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1-n1nnnc1C 756317884 FFATVMXMAWUGNG-UHFFFAOYSA-N 425.409 0.799 50 20 ICGD C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758059060 ZSNLPFYSQBWFAL-XQQFMLRXSA-N 441.510 0.776 50 20 ICGD Cc1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1N1CCNC1=O 758513228 RDZILTDUMCOHHT-UHFFFAOYSA-N 445.339 0.965 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763549378 ZAYWBOMUFPSQOF-UHFFFAOYSA-N 435.396 0.471 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCCNC2=O)c1 763571922 PRSGWWOUZOYJSM-KRWDZBQOSA-N 439.428 0.532 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc2c1=O 763786613 QOWLENCLSQTIEL-UHFFFAOYSA-N 437.412 0.603 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763857019 JQMHQGWNHMQOHD-LLVKDONJSA-N 435.433 0.709 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1=O 763919988 AYKXKNNVAIWEAU-UHFFFAOYSA-N 425.214 0.616 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 763979995 RDWRZHXKUAMDEB-UHFFFAOYSA-N 449.489 0.598 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1ccsc1 764034603 SMPWFJXLWMCPPB-UHFFFAOYSA-N 436.515 0.278 50 20 ICGD CCn1c2ccccc2c2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 764232190 SEHHXGSOZCHCLH-LBPRGKRZSA-N 445.501 0.838 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 765736072 OSTYHIIHFQNRBV-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 772364610 HYTMIACMICTSQP-NIVTXAMTSA-N 442.831 0.735 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2cnc(OC)nc2)c1 773763522 QOACUNGRUIWOHQ-MDZDMXLPSA-N 433.490 0.990 50 20 ICGD Cn1cnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cc2)n1 781017538 AXGAFWOCRNWZLP-UHFFFAOYSA-N 428.312 0.922 50 20 ICGD CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002295 NPTAKXZAXUHUKF-UHFFFAOYSA-N 439.432 0.635 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cn1C 784835465 AFZUMBNSFVRCRK-UHFFFAOYSA-N 430.389 0.890 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 784916282 WOPGNROWRGATPF-UHFFFAOYSA-N 441.510 0.501 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccnc(N(C)C)n2)c2ccccc2O1 784969397 LSIWZCJJXKAGQC-HNNXBMFYSA-N 427.465 0.306 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(C2CCCCC2)C1=O 785561967 BUYUMVMLNXPBQV-KRWDZBQOSA-N 426.481 0.930 50 20 ICGD NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 786981276 PJIOOLTUGGCKHF-AWEZNQCLSA-N 446.847 0.546 50 20 ICGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 787126213 LZOHLSWHJFHZMU-HOTGVXAUSA-N 435.956 0.897 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)o3)CC2)cc1 794393399 OAIAJYUIAIWJES-UHFFFAOYSA-N 431.474 0.227 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@](C)(O)CO)cc1 801974895 INNBCRVJPIVPDJ-ZVYZCIRASA-N 427.461 0.201 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 807235404 PXRVJWSISDCCMS-SECBINFHSA-N 442.885 0.185 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(F)(F)F 813367664 HRDRATPAKOHHAN-NSHDSACASA-N 429.359 0.879 50 20 ICGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)C1CCOCC1 816509906 GLRYGNAIANFCNA-UONOGXRCSA-N 447.554 0.763 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2)cc1 816827705 BSDQKTYWTYWIST-DLBZAZTESA-N 446.485 0.769 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc(C)cc(C)n2)c1 837301747 HBGMUMPOAQHQSW-UHFFFAOYSA-N 434.522 0.997 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3ccccc32)c1 913055378 VZYYFMIGDGLDDB-UHFFFAOYSA-N 431.474 0.422 50 20 ICGD COc1ccc2c(c1)C(=NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C(=O)N2 916258690 IZZGZSKHSPOZKB-UHFFFAOYSA-N 444.469 0.802 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 916392009 PSSBGJLWHLSEEO-UHFFFAOYSA-N 449.471 0.359 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 916736335 JJTYNWTZSMTPOK-UHFFFAOYSA-N 447.517 0.641 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 919887845 ICCDZOAKOXYBFC-GXSJLCMTSA-N 449.316 0.864 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)[C@H]2C1 1117533360 ZLASMXWLPNDNPJ-SOUVJXGZSA-N 436.538 0.571 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 1353486664 ORFRHJRVGJCWRD-QWHCGFSZSA-N 439.465 0.713 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780954281 WRJJNRBCWPKXRS-SCLBCKFNSA-N 436.310 0.885 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782210829 QEVIUKVFVAVOLM-DYESRHJHSA-N 434.541 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783811847 YYXDOZBSQNTFMQ-YCRNBWNJSA-N 428.533 0.993 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cccn3)C2)C1 1784518876 VQDKTXDXEQSQST-NGONFYQLSA-N 441.492 0.408 50 20 ICGD Cc1nscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785798611 AYRVTKCYHKWFBT-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790749133 IJHKNMOZQXBGFK-NWBUJAPZSA-N 441.319 0.234 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1791256723 FZJZPXQYLHQVQE-GCLMUHHRSA-N 448.951 0.986 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1792874241 LILCDWACTQFUGH-XPCVCDNBSA-N 441.326 0.900 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnc1 1793141614 RQFWENXPBYALIM-HYWQPGETSA-N 441.492 0.168 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)n1 1797214182 ITDNLOILKWXGCH-BTTYYORXSA-N 448.480 0.623 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)n1cncn1 1802959040 ATABWQUPQISPOZ-NTPMPSRCSA-N 426.481 0.611 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncc[nH]2)[C@H]1c1cccnc1 1805155113 AUYAVQGKIVPMGN-RHSMWYFYSA-N 434.460 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1 1805476223 KXQDKGNFJQXRSG-PZJWPPBQSA-N 430.273 0.790 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360349 RSJPGTOYPSKHSN-CVAIRZPRSA-N 425.294 0.364 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cnn1C 1807361429 AMNIINSSDYAXDO-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2cccn2)[C@@H]1c1cccnc1 1807638111 CVQKVWUQVFVNRM-UTKZUKDTSA-N 427.509 0.357 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1808407492 AIRQJFKGTSPAJO-XSZIFJNNSA-N 440.504 0.992 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cc1 1809978729 ZCOASLZFUDPFQL-UHFFFAOYSA-N 449.316 0.624 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cnccn2)n[nH]1 1814996435 ZQGAGIDBGKTLMJ-KRWDZBQOSA-N 449.475 0.747 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)Cl)CC2)c1cccc(B(O)O)c1 1815361978 WYVDUYLEMVHVFX-SNVBAGLBSA-N 429.641 0.880 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc2n(n1)CCC2 1819166619 GFJFRDQPLISZNQ-IBGZPJMESA-N 448.292 0.852 50 20 ICGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@@H](O)CCl)CC4)CC2)CC1 1822711745 FGSMRAPDABKNBY-OCCSQVGLSA-N 441.985 0.435 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCBr)CC2)N1 1825072922 XZUUHZWVQBADHG-UONOGXRCSA-N 443.342 0.989 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055509 AMPGJWLIYGNDSR-HXUWFJFHSA-N 443.353 0.514 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831645757 DHJCVLGQVGJRGY-KXBFYZLASA-N 431.917 0.693 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c1=O 1831881480 RRYCICUPOQWQBN-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1832551372 LFOUDGVABYLVKE-MGPUTAFESA-N 445.944 0.985 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832805309 YRBDSJWLYPEWIY-OAHLLOKOSA-N 436.252 0.051 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)no1 1832926897 WREXQALSMODIBN-INIZCTEOSA-N 431.287 0.162 50 20 ICGD O=C(CCC(=O)N1CCCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833698643 GLGCFVYMPKDXOZ-GOSISDBHSA-N 442.988 0.560 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819157 IGRFWBZGSARHSA-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834826419 PNWSONZTPFYHDB-MAUKXSAKSA-N 443.342 0.994 50 20 ICGD Cc1[nH]ccc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835215624 QFAUGLWZMNMDGZ-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835378041 MLDKCKDZPAAJAP-NVXWUHKLSA-N 436.322 0.619 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1836333934 QHGMXYVGRLPGNF-FXAWDEMLSA-N 442.944 0.288 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837012578 ZIWDSMZYCOQZFY-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315856 PKIZJEBBYXVSSU-WBMJQRKESA-N 444.834 0.956 50 20 ICGD CC(C)(O)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837771607 LVZUMKZNIHFKEZ-UHFFFAOYSA-N 432.326 0.140 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839176434 OQPCLGRJPPTWJU-HNAYVOBHSA-N 432.901 0.206 50 20 ICGD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1840027510 CKYCBMSGSWZBPT-MYXQPPCBSA-N 435.427 0.709 50 20 ICGD C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840167667 FNMCGAQVBVSNCJ-ZRZWOPFXSA-N 443.504 0.380 50 20 ICGD COc1ccc2c(CC(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c[nH]c2c1 1843010349 HGCSUQCWEQPDQL-UHFFFAOYSA-N 447.300 0.916 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n(C)c1=O 17186149 QMYHKIQNVLHPBP-UHFFFAOYSA-N 442.520 0.578 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC1 107912589 JFVMOBIIPZSASB-UHFFFAOYSA-N 445.457 0.684 50 20 ICGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)nn1 728217539 YSAAFUWRBLSDOP-UHFFFAOYSA-N 443.489 0.924 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cc(Br)ccc2=O)n1 728722552 SADLNBWKHRTYRU-UHFFFAOYSA-N 443.279 0.309 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 729276988 QJOQLMOIHUKLOH-UTUOFQBUSA-N 431.490 0.530 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 729511998 YZJOEKMVCALSOJ-HNNXBMFYSA-N 425.449 0.753 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)CCc1ccccc1O 730032633 XITYBNLJSVAEIC-UHFFFAOYSA-N 436.446 0.749 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732474777 WJYACOHTDCUQBC-HNNXBMFYSA-N 444.579 0.906 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 741823372 DXKCVNSOOXONMV-YFHOEESVSA-N 442.453 0.947 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744819086 UBYCPPJYFMCPMK-INIZCTEOSA-N 436.490 0.457 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1OC 755034309 QGNRLKKYZSDZPU-HNNXBMFYSA-N 445.428 0.885 50 20 ICGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 755913582 RBKLJMFZGJOYJG-SECBINFHSA-N 439.416 0.378 50 20 ICGD C/C(=C/c1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756003392 PGWVFMQPQDTSTD-FLIBITNWSA-N 430.852 0.338 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)o1 756655411 OZGUNXHTKDNYDG-UHFFFAOYSA-N 447.496 0.643 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 756841012 PGLUEZGQZWEYEP-JTQLQIEISA-N 439.885 0.781 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 759680272 MWLNIZONKCZRBT-VIFPVBQESA-N 441.325 0.592 50 20 ICGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNc1nccc(N2CCOCC2)n1 762855570 GZCLUCBQFNRFIV-OVCLIPMQSA-N 432.506 0.737 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 763156593 CWGXTQAFTMTHAN-JTQLQIEISA-N 431.565 0.960 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763461167 SSBAJBNTLVCGAR-UHFFFAOYSA-N 428.434 0.135 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 763629707 RGYATNAGSQJKAH-UHFFFAOYSA-N 425.401 0.594 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 763662563 XCVXMYCUHLGVLO-UHFFFAOYSA-N 426.385 0.086 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)c1 763694656 KLUMSLVJTGEVNT-UHFFFAOYSA-N 449.261 0.974 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1NC(C)=O 763808312 KAIDASYBVJYYPR-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763999900 XXGGRZOSSRARTR-SECBINFHSA-N 436.412 0.292 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 764295723 QASMTFKDKPFZBC-UHFFFAOYSA-N 440.456 0.559 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n[nH]1 765588295 UGLJMNFLLSARGT-UHFFFAOYSA-N 427.433 0.858 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc(Br)s1 766328515 DRHITEVIUNTXRF-UHFFFAOYSA-N 435.300 0.913 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC)nc2)c2ccccc2c1=O 770208936 PTWOFFRNDWKGNY-UHFFFAOYSA-N 444.473 0.184 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 770255649 AICPCCPTKLUEMR-YPMHNXCESA-N 446.913 0.131 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccccc3OCCN3CCOCC3)nc21 770366957 UOJAZQKSNZAQRC-UHFFFAOYSA-N 442.480 0.606 50 20 ICGD Cc1ccc(I)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 775859690 HPHZIIWLRZGORR-MRVPVSSYSA-N 440.263 0.690 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 776319776 JCIBQZYWZAZPKG-SNVBAGLBSA-N 435.428 0.602 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 777940450 LYUHLPCTLLIFGR-UHFFFAOYSA-N 430.483 0.166 50 20 ICGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)n1 778708362 ZSPNTUJCJGKCCF-GXTWGEPZSA-N 431.449 0.847 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 779479375 IWXNNOWZAGLOAS-SECBINFHSA-N 432.865 0.814 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C1 789856897 MHTZLCPOLJDGFD-HUUCEWRRSA-N 436.534 0.737 50 20 ICGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 790354587 GOTZVBYASHNQEV-OAHLLOKOSA-N 438.496 0.651 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2ccc(OC)c(Br)c2)nn1 790713770 KQJLVRJAJUFJFV-UHFFFAOYSA-N 441.242 0.480 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797369482 ZEXUHTSZGGJTDZ-UHFFFAOYSA-N 441.444 0.401 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2CCN(C)C(C)(C)C2)nc1 799685003 HOFZIVYEXGQREM-UHFFFAOYSA-N 441.602 0.764 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)ccc1F 806997348 KRTHCSPFHXEPHA-UHFFFAOYSA-N 437.478 0.858 50 20 ICGD CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)cc1 811681530 AUESKKIVAKUKCK-TXEJJXNPSA-N 434.540 0.398 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)c2)nn1 812979661 DDMXAMHTOJFOTM-UHFFFAOYSA-N 426.389 0.366 50 20 ICGD O=C(NNC(=O)N1CCc2c(nnn2-c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 814270570 OGQOUQIIFZADHP-UHFFFAOYSA-N 430.432 0.656 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br 815569271 MVOOURVELHGFCF-UHFFFAOYSA-N 442.201 0.508 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 864017086 OCRVYGXTTSVPSH-UHFFFAOYSA-N 427.461 0.975 50 20 ICGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 913450241 HXQWCJOEPLQVSK-QGZVFWFLSA-N 426.429 0.780 50 20 ICGD O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915616449 NKIKGFAJEJZTQM-MRXNPFEDSA-N 425.507 0.818 50 20 ICGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 915906412 JIHSXFYSMBQXAN-UHFFFAOYSA-N 448.487 0.859 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 916516896 MRUOANMIWFYGMH-UHFFFAOYSA-N 430.490 0.706 50 20 ICGD O=C(NC[C@H]1Cc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919658009 IWLVWIQMPPJUHZ-QGZVFWFLSA-N 444.513 0.991 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777973763 DFTRIIIMXNPNSJ-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778030592 MHLSYPWKUWNQRV-JTOWHCCKSA-N 436.864 0.530 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778755667 YTCYLXMWMCXILY-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1779028459 FMLZOXYAAQNNJD-HSZRJFAPSA-N 449.511 0.860 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1780195903 ZUOGORDYSXPCIJ-KDOFPFPSSA-N 443.840 0.352 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640925 NNJFQJFWHKZRGH-SJKOYZFVSA-N 427.299 0.728 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1783532087 CPDSBIHXWXXXCX-YVEFUNNKSA-N 428.283 0.623 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1783666899 NRNDEFKNQJTPCQ-QFBILLFUSA-N 436.933 0.140 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784482046 CMAYOZGFKAMODU-AKGDVTCISA-N 443.504 0.138 50 20 ICGD CCc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980099 IZRRROOKFPZETQ-LRQRDZAKSA-N 437.305 0.231 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4nccc4c3)[C@H]2C1 1788449141 IQDFOGPRNZDQGT-WDSOQIARSA-N 442.520 0.301 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498321 WSLJLYLGSQUICN-MHUUDPPMSA-N 442.354 0.974 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788565108 WMDMSNHDBWCBJQ-UGUYLWEFSA-N 428.606 0.525 50 20 ICGD CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925799 KQLXQJUGYJIXSS-BNXPFKJGSA-N 427.336 0.815 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790749136 IJHKNMOZQXBGFK-VLJOUNFMSA-N 441.319 0.234 50 20 ICGD Cc1ncc(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794315729 MZDUXRVJYPEYHB-BAESOJJISA-N 446.729 0.955 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(OCF)cn1)c1ccc(B(O)O)cc1 1794727056 ALEQUDDFHGUUDP-MUJYYYPQSA-N 428.229 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2[nH]1 1796825715 WRBHNJJPWLFGLK-HBCWATKFSA-N 428.493 0.139 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(CO)on1 1799462885 KEXMAQDPZGEIBR-ONMDDFKGSA-N 428.449 0.553 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1800609491 JAHPETDBBSOLAN-BBIADKPPSA-N 430.549 0.890 50 20 ICGD Cc1ncc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)s1 1801012230 PACBKIRSIIHNMH-OSUWEIRGSA-N 435.550 0.427 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804320275 AFEHFTKSWXJJFO-XLIONFOSSA-N 447.256 0.557 50 20 ICGD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1F 1805122613 OIUHARACHCEDAA-QRWLVFNGSA-N 445.499 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116556 WNKFPXWZVKSTNY-UWJYYQICSA-N 447.256 0.348 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367871 OFLCGLJMLVLVMS-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1807374741 ILOXDXGDDOOUBS-ZQYQINFJSA-N 437.305 0.649 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375184 PSLXFGKSJBAWPE-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 1809972612 SWRCVSOKDNKDHJ-UHFFFAOYSA-N 436.321 0.668 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195080 BXFDUYFHRUTHCA-FPOVZHCZSA-N 446.272 0.028 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1813028959 ZTFXGAOZOBYGPE-BFYDXBDKSA-N 431.942 0.776 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1 1813067592 ATXDERVMKBWYGI-XMSQKQJNSA-N 430.553 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1813071412 PSMPJGQGYHFAGU-IFXJQAMLSA-N 429.481 0.203 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072800 FQGMVXZUYGAZEN-GCJKJVERSA-N 441.536 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)c3ccccn3)sc2C1 1815022916 WNYYQBZGXYQPFE-SGTLLEGYSA-N 445.549 0.523 50 20 ICGD N[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)c1ccccn1 1817475359 OKMIBTCPTCVDQR-UYAOXDASSA-N 448.292 0.490 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1819401701 OZEXEZNHVNCHMQ-KRWDZBQOSA-N 449.475 0.747 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cncc(O)c1 1822230631 AXQMAXGFRTYBGZ-GOSISDBHSA-N 435.249 0.810 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822417106 ZWJGXDKBPVHPBW-LSDHHAIUSA-N 440.570 0.889 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1830957551 CEQJHIOZAKACEM-KSSFIOAISA-N 443.342 0.511 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834869268 FWGFRFDYAOBCHN-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837289800 XEPLYAZXKKPXLS-HAJKQMQPSA-N 429.945 0.037 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1837639260 DIGROKOBNGLTBE-BXWFABGCSA-N 427.933 0.778 50 20 ICGD Cc1cnoc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919100 DSOBVMNDZCEKML-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198120 URGMQEYPSKOOCR-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200653 OCKZLRRIHOXAOQ-XJKSGUPXSA-N 432.246 0.081 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840029564 JOKLWFQNVRFVML-ZUZCIYMTSA-N 448.343 0.433 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1840152023 URAFQOGZNIHQIF-GHTZIAJQSA-N 440.924 0.948 50 20 ICGD CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1Cl 1844263780 VAHCZNQZYASRJM-UHFFFAOYSA-N 445.911 0.765 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108676 PCLYFFAWMOSUJE-SOUVJXGZSA-N 445.944 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1846383943 LMAYJYVCWXVPGU-PKNBQFBNSA-N 441.532 0.435 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](C)CBr)no1 1847499493 ZDBJNFSKGVRHDA-SWHYSGLUSA-N 427.299 0.946 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1847553514 ILYBHIKKARHMND-GLWYYVHRSA-N 443.504 0.912 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563237 HTPGDRBRSZEYRO-XUXIUFHCSA-N 447.916 0.244 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 28776469 ZBWILOOHORDXDV-UHFFFAOYSA-N 447.444 0.921 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 730780273 MEWXMDCPKXOZKH-GFCCVEGCSA-N 425.488 0.833 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C1CCC1 732141291 QSXOCVFGODUHCU-DDKJEQMHSA-N 443.547 0.328 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 742489507 RRAKIDLHCUIVNR-UHFFFAOYSA-N 429.252 0.111 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N1CCOCC1 745993045 UYSKJMFANRLYNO-OAHLLOKOSA-N 430.552 0.468 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)COc2ccc(Br)cc2)CC1=O 746094349 GPEBOIRJWCOGGJ-LBPRGKRZSA-N 427.299 0.385 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1F)N[C@@H]1CCS(=O)(=O)C1 748691834 VHAPCWACSBDSME-MRVPVSSYSA-N 430.277 0.268 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C[C@H](C)OC)c(=O)n2Cc1ccccc1 749567041 FIJZEZYHERWDEK-AWEZNQCLSA-N 442.476 0.000 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749907542 MLLIVBVULCGYJS-UHFFFAOYSA-N 446.500 0.863 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 750654495 BIIPPRRBVAWNIV-AWEZNQCLSA-N 437.522 0.424 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 758046450 SFBOQUVMHRQMPO-CYBMUJFWSA-N 426.495 0.120 50 20 ICGD O=C1NC(=O)C2(CCC(=NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)N1 758101078 YIKZDYVXJVGEBR-UHFFFAOYSA-N 433.490 0.709 50 20 ICGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc21 760224009 SZLSYODNIZMSAH-OAQYLSRUSA-N 444.513 0.701 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)c2ncccc2C)cc1C 760474376 JKGCDBHWZZMOCB-INIZCTEOSA-N 447.517 0.380 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cccnc1 763490937 GQPPFCDQKRHVSZ-UHFFFAOYSA-N 445.501 0.462 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1-n1nnnc1C1CC1 763527415 JLWGRNIWKCMLQH-UHFFFAOYSA-N 437.416 0.654 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763681824 JPMWACZUAWXPEE-UHFFFAOYSA-N 437.391 0.751 50 20 ICGD CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763999463 WZUNJRCAUGGLBP-MRXNPFEDSA-N 444.513 0.844 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)cc2)CC1 764358822 OKHROZAPVPCTOM-UHFFFAOYSA-N 448.505 0.240 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)o1 764372424 UYHDKYJSEPUBPM-UHFFFAOYSA-N 437.478 0.304 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 764377993 UQEDMZIGUUVVFR-UHFFFAOYSA-N 440.416 0.908 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 764400663 GFDNEWJTBJAUFA-UHFFFAOYSA-N 431.409 0.385 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766654694 VOUYZLGAOOELGH-KRWDZBQOSA-N 447.536 0.895 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 768641263 QJNWPYOGHFZJGO-OAHLLOKOSA-N 426.476 0.272 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1 770436555 XDNPUFMFBVJRDR-WMLDXEAASA-N 441.554 0.380 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCn2ncnn2)cc1 771582703 MHPGKWWWOAHYPP-XNTDXEJSSA-N 435.448 0.144 50 20 ICGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 771860382 ICKGUIQGMGXMQV-QGZVFWFLSA-N 430.486 0.404 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)n(C)c1 771969277 PAPMTJACOCTFJL-CYBMUJFWSA-N 430.527 0.794 50 20 ICGD CC(=O)Nc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1Br 774602812 CEAGWLGZNBZBFS-UHFFFAOYSA-N 435.300 0.550 50 20 ICGD CN(NC(=O)CCN1CCCS1(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205256 LSDVHKBCAGOSBU-UHFFFAOYSA-N 433.531 0.048 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 777276724 ZNRGCPZPPLFCIL-DLBZAZTESA-N 447.492 0.742 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782555894 NXSOEOVUFVIGQK-UHFFFAOYSA-N 445.379 0.534 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 784914891 BWABPFMXYOPQOL-UHFFFAOYSA-N 435.481 0.961 50 20 ICGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 788479125 YUZAOULXJUGZSN-UHFFFAOYSA-N 425.419 0.517 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 796186509 NFGVHKFQAZKPFZ-UHFFFAOYSA-N 425.488 0.545 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 797368870 IGGNPYXPIANQGS-UHFFFAOYSA-N 448.457 0.855 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl 798493566 WXEFYXKWSVADKU-UHFFFAOYSA-N 425.898 0.977 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccnc1-2 806975790 OVGPQYZVQPVLRE-UHFFFAOYSA-N 434.412 0.914 50 20 ICGD CCS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 807381609 ALWHZRZGJPTUCI-UHFFFAOYSA-N 433.328 0.845 50 20 ICGD CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)COC)c2)c1 810387252 MRJPEBWKMSHFPV-UHFFFAOYSA-N 442.428 0.848 50 20 ICGD COCCC(COC)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 812227763 PVPJOGWOPQWPMM-UHFFFAOYSA-N 426.539 0.456 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NN=C2C(=O)Nc3cc4c(cc32)OCCCO4)cc1 814967766 ZBLKPIJPAUIHTB-UHFFFAOYSA-N 431.430 0.973 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 915486785 UZGKEHRVDRAIHS-CQSZACIVSA-N 449.485 0.272 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCCn1nc2n(c1=O)CCCC2 916649856 MQKOHKBBMQPVGE-UHFFFAOYSA-N 433.425 0.089 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917181546 QGLBIHPYYOZQJT-UHFFFAOYSA-N 438.506 0.963 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)cc2S1(=O)=O 917519404 PGEJTRMZVJOXBR-UHFFFAOYSA-N 433.442 0.943 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)s1 917723846 OXSOZANPSBCCMJ-UHFFFAOYSA-N 446.532 0.760 50 20 ICGD COCCn1cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 918542709 GODGPSXNTNZTLI-UHFFFAOYSA-N 436.494 0.781 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779060779 KZUGCFHBGQFNPX-DCGLDWPTSA-N 426.315 0.890 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779469230 WYTGGGIFSMTLHX-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD CC[C@@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780096716 GBPQZHYTMIWICX-UTKZUKDTSA-N 448.476 0.962 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1781998823 IAUIBHAFASZCQN-GPMSIDNRSA-N 445.402 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1783874623 GCRNBHBXJAQSNI-UGSOOPFHSA-N 428.873 0.395 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937513 SOEXUDQYYKYRDF-VGSWGCGISA-N 431.537 0.463 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938122 VGCYYSXOXIWUKT-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979221 BIZSTAMSZWJALM-CYBMUJFWSA-N 430.221 0.280 50 20 ICGD CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784536121 NBPDQUBJNMOUON-OSMBCOQSSA-N 435.550 0.233 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784680112 MJXSKFNZUMOUNX-JHUKZBBPSA-N 427.465 0.137 50 20 ICGD CN1N=C(C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)CCC1=O 1786656406 QHBVPAVNTZFYBC-UHFFFAOYSA-N 448.288 0.722 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CCCN3)C[C@@H]21 1787507773 RPOLEARHKQYNDA-WTXOVSDVSA-N 444.536 0.242 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787627097 PAMAQYPPJFNTSL-JURCDPSOSA-N 447.305 0.813 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789094515 JLKCSUJYGJQGJE-OEAJRASXSA-N 426.311 0.944 50 20 ICGD COC(=O)NCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791749683 RCKXZOSKKKHMMB-UHFFFAOYSA-N 425.250 0.470 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)CCOC1 1793115476 PBLUYSZPCGKHRS-MTCCJSQRSA-N 445.944 0.908 50 20 ICGD CNc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1795559810 PZUJCYQKEGPVHG-CCWDJLKJSA-N 438.488 0.244 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn(-c2cccnc2)c1 1796188216 CCPMKXIVVDYXJF-ACDBMABISA-N 445.288 0.513 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c2c1 1796189538 ZUDXMFBMJOSUKC-BCDXTJNWSA-N 443.272 0.680 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)CC(=O)N3)C2 1798440739 YLQYJKAHACWVKP-MUJYYYPQSA-N 448.483 0.745 50 20 ICGD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1799292972 IJWCGMVVVKLBKY-DVFMFOFASA-N 432.427 0.596 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1800974345 UGHGWKWQBJWJEV-LSIDRNEPSA-N 441.956 0.621 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1800975429 OBCPLEVNVQOCER-IPJQOSJUSA-N 428.873 0.155 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1800976773 HGCYBWQRFXFMPP-VQODFFIQSA-N 439.896 0.295 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2C(=O)C=CC2=O)cc1)[C@H](O)CCl 1803875597 GATQEHRBSFQSGO-XLNGHYISSA-N 431.876 0.968 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1806135280 CLGZMWKDBBDFPD-IIBYNOLFSA-N 441.488 0.727 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968441 YDIGURPEWWYTBU-LJQANCHMSA-N 429.326 0.126 50 20 ICGD O=C(COc1cccnc1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969638 YNFPJOPONKADKT-UHFFFAOYSA-N 437.305 0.685 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 1809978054 SDFPNIIHIGDSFS-UHFFFAOYSA-N 440.265 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1813070489 HWJNXLVRSVAXGH-HNAYVOBHSA-N 449.581 0.477 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2=COCC2)[C@@H]1c1cccnc1 1813589389 DECYJXGFNOVVKK-BEFAXECRSA-N 436.472 0.704 50 20 ICGD O=C(Cc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361117 XZJFXJWEXZVTKY-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cc1O 1817470581 DYYGBJLFYODDIW-INIZCTEOSA-N 438.253 0.148 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C(=O)O 1823411443 FMWDFMLJBCCJCX-UILAEWCASA-N 426.238 0.426 50 20 ICGD O=C(c1ccc(CO)o1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057979 OVWITSPBYNLFHW-FQEVSTJZSA-N 440.305 0.999 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1830534015 VBNSWJCRWYLGFH-LBTNJELSSA-N 435.359 0.881 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534871 DIQYGJBNAMWSAA-SCLBCKFNSA-N 448.358 0.389 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1830534971 GLBWXGSBLNPBJX-XHDPSFHLSA-N 433.328 0.639 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(Cl)n1 1830731502 KGKLETZSZPRUMG-FZKQIMNGSA-N 448.303 0.413 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735865 OHYCUSSANOGMJG-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470259 YWCMMOPHOIMCRE-AUUYWEPGSA-N 427.885 0.563 50 20 ICGD O=C(c1cccc(O)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834193693 XYUYCBJOEKCFKJ-CZUORRHYSA-N 432.246 0.548 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cn1 1834528587 SZZQSHSHLAUBDE-IBGZPJMESA-N 438.557 0.407 50 20 ICGD CC(C)NCCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834783348 DLZOSGKVATYJIH-UHFFFAOYSA-N 438.617 0.319 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(N)=O)CCO2 1836484248 QQSIOOGCPZNBSD-DCGLDWPTSA-N 449.346 0.063 50 20 ICGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc2N1 1836992871 YVWYGQGSFAIKCK-VQIMIIECSA-N 441.843 0.622 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838967825 YAMPZGLQNXVNBV-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1C 1838985558 KQEWPQUFDUSSAW-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839143938 MHBKNCXYGBXHHC-XLIONFOSSA-N 430.977 0.098 50 20 ICGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199516 PGKGQKYMKIEGMP-DOTOQJQBSA-N 437.306 0.950 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839296769 VICWGJUKXWVGLM-BEFAXECRSA-N 430.860 0.855 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839967238 GOXBOJKWIGUKHT-KDOFPFPSSA-N 433.343 0.921 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839976975 CVSSBBIDVMFBKW-VQIMIIECSA-N 432.851 0.563 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840031366 NQIJVIKVECYZBN-DIFFPNOSSA-N 443.298 0.466 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1840149850 BYFZKRRQGCBYOY-TXPKVOOTSA-N 428.917 0.229 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840152413 HQIRDFRBZLJKSO-SCLBCKFNSA-N 444.941 0.739 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1840153879 DLHBSJWYXLECFB-QRWLVFNGSA-N 442.896 0.725 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185353 LYRASONLFNDPEH-JOCHJYFZSA-N 438.569 0.808 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895055 SPQHQFNIZODFQP-ZDUSSCGKSA-N 436.372 0.094 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414668 PWBMXGHLMHGLCF-CYBMUJFWSA-N 436.372 0.789 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844263761 RNSNZIWGNZVXDD-UHFFFAOYSA-N 437.460 0.169 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846211925 WTTDUJLSGLYFQF-QWHCGFSZSA-N 447.916 0.246 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 17405810 OGZHIWLLRPDFMW-ZDUSSCGKSA-N 431.474 0.559 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)c3cc(Br)c[nH]3)ccc2N1 28680651 IZVWWNWOGYHQBC-UHFFFAOYSA-N 442.251 0.681 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 728208558 XSPDPMRESPSFSP-UHFFFAOYSA-N 446.529 0.799 50 20 ICGD O=C(CN1CCN(CC(=O)NC2CCCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 728573065 JHZOMTVZWUVSKQ-UHFFFAOYSA-N 446.508 0.422 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)CCOc2ccccc2)c1 729228125 ZGLBSSRBUGLJGZ-UHFFFAOYSA-N 449.489 0.333 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 731104066 AENVAQWBOYHTGJ-ZCFIWIBFSA-N 431.275 0.436 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2ccccc2OC)c1 731500977 WHHANHHVHDNXGM-GFCCVEGCSA-N 449.489 0.575 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc(OC)c1OC 732569596 LMTCMCHQHIDMFP-JTQLQIEISA-N 434.371 0.820 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733123052 OTORRIBTBWIGHD-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C 741302122 RLFZOABJTBGQEC-UHFFFAOYSA-N 447.492 0.469 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CNC(=O)c1cccs1 741554074 MTILUGQHOUZZHZ-UHFFFAOYSA-N 436.515 0.787 50 20 ICGD O=C(NNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 742576957 JIRCEUMYLKZUGO-SNVBAGLBSA-N 429.405 0.809 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744601632 COXUWGGRAOLSOZ-UHFFFAOYSA-N 444.469 0.268 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C 745918972 PKQWTTVEFDWCKJ-CZUORRHYSA-N 427.465 0.500 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccccc2)cc1 746190446 JZMLUZXMIXLCQW-UHFFFAOYSA-N 433.486 0.922 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746326744 UJPIAMWCDUWGAT-LBPRGKRZSA-N 425.442 0.297 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1CCCS1(=O)=O 747110549 HEHQBKSQLFLCEP-NSHDSACASA-N 449.327 0.582 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)[nH]c21 747983764 GPHXYLIYZUUCJB-UHFFFAOYSA-N 447.459 0.779 50 20 ICGD O=C(NNS(=O)(=O)c1cncc(F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 749153122 ZCMLQQNOVNAFCH-UHFFFAOYSA-N 428.467 0.629 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 749351389 BPGCGCLNODRSHI-UHFFFAOYSA-N 441.598 0.501 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O)c2ccccc2c1=O 754669785 GOLXFYWTKVDTQE-ZDUSSCGKSA-N 437.522 0.964 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cccn1C 755409721 WMPXXVBXWWVRKN-UHFFFAOYSA-N 437.478 0.521 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)N2CCSCC2)c1 756273611 JBUNLLLANNHEIJ-CYBMUJFWSA-N 426.520 0.463 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756659172 OLNRCLOHSVBILH-UHFFFAOYSA-N 430.465 0.536 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757629096 PFTXDDILFRNQHJ-QMMMGPOBSA-N 432.252 0.918 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758818937 BNOMAHUYMHOTKY-LLVKDONJSA-N 446.445 0.004 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 761725847 RFUPPFKZPQOSGO-UHFFFAOYSA-N 443.507 0.225 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 763759756 AMDSUHVIUDBKOB-UHFFFAOYSA-N 437.456 0.801 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 763870623 BDHKCQREVYUQQF-CYBMUJFWSA-N 438.440 0.729 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cc2)CC1 763919754 TVPDXVRTRISKFH-UHFFFAOYSA-N 441.463 0.542 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2O1 763978008 CMYKDRAOEWZQPU-HNNXBMFYSA-N 433.804 0.774 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764153611 MLMFWAFWQJNUNW-KRWDZBQOSA-N 444.469 0.316 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 764259691 MSWBVKJLICQXSO-HNNXBMFYSA-N 448.382 0.589 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764268126 ZTQJYNLVSKHORH-UHFFFAOYSA-N 447.517 0.735 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 764319539 ZTQFBSVIVQGOCP-UHFFFAOYSA-N 446.489 0.713 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc21 764343073 NIBGVKHYIKQZKK-UHFFFAOYSA-N 434.412 0.627 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cc1 764399859 MRPCAMGCIDUIFC-VIFPVBQESA-N 435.218 0.429 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 764621518 RFNROEFEOUJJDH-UHFFFAOYSA-N 429.454 0.899 50 20 ICGD CO[C@]1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOC1 764804552 RLHUJDTZYMOHDY-SFHVURJKSA-N 426.495 0.221 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n[nH]2)cc1 765570619 CSJQBVHXSMDRBF-PSBWJHGTSA-N 437.456 0.563 50 20 ICGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770979494 FQTGZMSEQYBSMW-UHFFFAOYSA-N 449.493 0.622 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COCc2ccccc2)s1 771985989 MOYWADFBZZSWQB-UHFFFAOYSA-N 426.520 0.882 50 20 ICGD Cc1cc(S(=O)(=O)NCCNC(=O)NNc2ccc(-n3cccn3)nn2)c(C)s1 772626150 QKOWHIFIRMFUBG-UHFFFAOYSA-N 436.523 0.945 50 20 ICGD CC(C)[C@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1CCCS1(=O)=O 772692727 KJEVYOFTIBPVPA-GFCCVEGCSA-N 425.515 0.790 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 776541398 UULAFAUYLPHRKJ-UHFFFAOYSA-N 427.504 0.772 50 20 ICGD CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1C[C@H](C)O[C@H](C)C1 777833113 RHZCVTXTAZCGOD-ZNMIVQPWSA-N 440.404 0.947 50 20 ICGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 778560995 NCOMKCSFKMRWTR-UHFFFAOYSA-N 429.451 0.803 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc(C#N)n1C 782624152 HNTNRBWZIWEFAD-JIBWZLKKSA-N 432.502 0.983 50 20 ICGD COc1cccc(C[C@H](O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 785703152 BZYLDWKAOIPVBH-MAUKXSAKSA-N 430.413 0.129 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 786086630 QHSHQCVRMQBANU-AWEZNQCLSA-N 448.863 0.549 50 20 ICGD NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 786981277 PJIOOLTUGGCKHF-CQSZACIVSA-N 446.847 0.546 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1C 790253002 TXFYEQUUGCOKFR-QRRJMBGHSA-N 434.562 0.990 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccccc2CC#N)cc1 794578433 KEKWVTFLAMMRFZ-UHFFFAOYSA-N 436.515 0.691 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc(OC)c1 797369146 PCEDYWQWPFBPNQ-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)nc1C 803050984 GQOOKKPBFXVKSF-UHFFFAOYSA-N 433.450 0.260 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806978269 UFJKHRLILKSMBT-LURJTMIESA-N 435.434 0.258 50 20 ICGD O=C(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1cccc(Cl)c1 808767439 QTHKASPQXLHHFI-ZDUSSCGKSA-N 428.942 0.895 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)n1 810386627 KIYBYYJYEGYMLB-UHFFFAOYSA-N 428.412 0.880 50 20 ICGD COc1ccc(NC(=O)NNc2ncncc2F)cc1S(=O)(=O)N1CCOCC1 814491316 YVMJDPDZSBPBNS-UHFFFAOYSA-N 426.430 0.794 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cnn(-c2ccccc2Cl)c1 815691100 FHNXUHTZAAPKLL-LLVKDONJSA-N 428.840 0.466 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)N1CC2(CCCC2)c2c(F)cccc21 815692518 SQHQFTQXUHRMDQ-CYBMUJFWSA-N 426.452 0.986 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNc1nc(C)cc(C)n1 837302295 AGEHHRFTLYEZKI-OAHLLOKOSA-N 435.506 0.778 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 913429709 ULFAMMDYTGQPHM-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCCCC2)c1 916438038 UZAFVEJNJXYTJV-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC3CCCC3)nc2)CC1 918084784 KKRRMMXIIFBAOY-UHFFFAOYSA-N 426.543 0.603 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 920861882 ACIMCBOZLKQWCB-OAHLLOKOSA-N 443.482 0.505 50 20 ICGD CCS(=O)(=O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1320800867 SXKGBSCYDQWYQP-UHFFFAOYSA-N 431.540 0.233 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnc1C 1779028226 HOSGFCAZHKADGG-JOCHJYFZSA-N 438.488 0.454 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)N1CCN(C)CC1 1781102201 NEBOSMJZLYJUIC-ZQIUZPCESA-N 435.338 0.143 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332109 UGIQEFUKTFOMJA-IAQYHMDHSA-N 431.218 0.309 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1781474862 XFXAJXHAXMOISN-CXAGYDPISA-N 449.415 0.769 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781933634 LQALAURUXMGSCF-PJIJBLCYSA-N 433.933 0.625 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2)C(Cl)Cl 1782220920 GYVAOWFJOVEUOX-HWWQOWPSSA-N 427.350 0.881 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCOC2)C1 1783214958 CYLJWONFAMAQQC-YBOAYWMSSA-N 445.520 0.239 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1783974356 MDQGQBCHJPJCDD-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373204 CQIXLUYSWXZZOK-FCEWJHQRSA-N 425.917 0.304 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1785734215 XYJAMRGSKREGFR-XOBRGWDASA-N 447.960 0.967 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984538 NAPHXVOGGRXKHV-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791063189 COHWBAZQFXDKCE-VOAKCMCISA-N 435.388 0.234 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nc1 1791290921 DPWHRQWUABHPOW-ZVZYQTTQSA-N 433.509 0.057 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868782 PAGCDIYEHOETNO-MCYUEQNJSA-N 437.356 0.513 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1792872970 HUQMABIAYGKLRC-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3o1)C2)c1ccc(B(O)O)cc1 1795736324 ZEGKWIRXHSRYSR-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD Cc1cccc(Cl)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739680 ACSAICVJPWAVKP-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CSCSC1 1797846214 KLKOUKPDPGOBJL-NIFZNCRKSA-N 438.015 0.873 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180786 OKGSXXVWBVFPJR-IFOZYUSPSA-N 441.326 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2 1801013005 JVXQFVQFXVBGPM-VPTLXERWSA-N 436.940 0.845 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(C)C 1801550500 USLBODJSRXCZFA-GWGBFROSSA-N 432.525 0.050 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803503132 QOUZIOCCNKBSEL-SYAUCNOPSA-N 446.957 0.015 50 20 ICGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804191309 XHNRSXXRAGKDDR-SMDDNHRTSA-N 428.276 0.443 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807522866 XAPMFSDMZZYCRL-UWJYYQICSA-N 449.276 0.015 50 20 ICGD O=C(Cc1cccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807618323 DVFFWHFGBIPMLM-OFNKIYASSA-N 444.300 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccncc2O)[C@H]1c1cccnc1 1810665926 FAQJELNSAVZTQB-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1813071489 UCZXXWPWCNRCEY-GCJKJVERSA-N 441.536 0.816 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814227603 FPRMYYBJYBGFQG-VNHYZAJKSA-N 426.315 0.929 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815164549 LOZLUKYNIAIFSP-WXHSDQCUSA-N 435.934 0.329 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nccs1)CC2)c1ccc(B(O)O)cc1 1815339604 JVAJYWGEULWXAT-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354820 SAMQNKNNFPTRKS-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817116151 SMHBUAFWMCHKSC-VHSKPIJISA-N 426.923 0.917 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc2n(n1)CCCNC2=O 1818974466 QVWAJJJOXSAEEX-HIFRSBDPSA-N 449.899 0.645 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC(F)(F)C(=O)O)CC2 1826085945 GDNPZWNHVKPIOG-SECBINFHSA-N 447.464 0.538 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)CC1 1828366596 IRVNGNFUOZCAAF-FCEWJHQRSA-N 429.521 0.689 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1830543310 PQSQWIUWICRSRV-GLJUWKHASA-N 446.342 0.095 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725623 KYKDEIHYWOQZSZ-VQIMIIECSA-N 429.901 0.280 50 20 ICGD Cc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726605 RMDBRKVOYLZTQL-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831444032 HILOKKDVJREPKT-SFHVURJKSA-N 448.614 0.201 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1831871695 WNUUTXCUOSKBMV-HNNXBMFYSA-N 449.512 0.924 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832165981 ICCRQIKYNWBZDO-TUKIKUTGSA-N 432.823 0.010 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798827 CJPCATBSYBZFHS-INIZCTEOSA-N 443.353 0.167 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030615 QDMUNOFQICIJKK-SCLBCKFNSA-N 448.358 0.389 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1840153333 KXAOYORISSUPJR-JXFKEZNVSA-N 441.912 0.722 50 20 ICGD Cn1c(=O)c2c(CC(=O)N3CCCC34CN(C(=O)[C@H](F)Cl)C4)csc2n(C)c1=O 1845014007 KJBPNSGKDZQOQR-ZDUSSCGKSA-N 442.900 0.579 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)c1cc(Br)c[nH]1 28717511 PUUSRBTWNJRXJQ-UHFFFAOYSA-N 438.194 0.872 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2ccccc2n1 726710642 LJEAHGNJOHGDOL-UHFFFAOYSA-N 448.487 0.708 50 20 ICGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726867984 YUQNELFRWRWAGY-UHFFFAOYSA-N 433.446 0.909 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 728511411 MYFIWHZRVLULNK-LJQANCHMSA-N 425.489 0.982 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)no1 728846372 YMJYKIKUOSYAPU-ZDUSSCGKSA-N 447.521 0.897 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 732198750 DHORCBNJROPHEX-HZPDHXFCSA-N 439.557 0.724 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)C1 732258674 FOHMGHRWXXLFBG-MDZRGWNJSA-N 445.520 0.831 50 20 ICGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1 732281720 AQJWPQUVYXVACJ-AWEZNQCLSA-N 433.509 0.975 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 734239807 DWYXISKYHXNVME-UHFFFAOYSA-N 434.453 0.313 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 746591356 KOTJMVVUTXAMPP-QGZVFWFLSA-N 445.457 0.544 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 748613573 CMXNCCORZIBFIT-HNNXBMFYSA-N 442.538 0.743 50 20 ICGD O=C(NNC(=O)c1cccc(F)c1I)N[C@@H]1CCS(=O)(=O)C1 750256539 WVWIDLXJNLWGCV-SSDOTTSWSA-N 441.222 0.561 50 20 ICGD CN1C[C@@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1=O 750653132 PPIFUBVCYVGFGV-HNNXBMFYSA-N 434.456 0.620 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1C 753020231 PMQQLRVWOCDYRO-ZUOKHONESA-N 430.465 0.293 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 755044847 BFFIVDUMKAFJLH-GFCCVEGCSA-N 446.460 0.944 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(C(=O)OCC)c1 755841124 FZTOJTRVFRHQNB-LLVKDONJSA-N 441.462 0.627 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 759739499 WMTSDODUWMYONN-RBSFLKMASA-N 438.506 0.421 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 763811800 NIFVOSNHOCSOFJ-HNNXBMFYSA-N 438.440 0.365 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)n1 764110091 XRMOEYPEJRDDHY-UHFFFAOYSA-N 425.405 0.480 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)ccc1OC 764132543 YLUYIZVUWVBZDX-UHFFFAOYSA-N 433.417 0.834 50 20 ICGD COCCOC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764152489 DSPIXLMDCNVOAK-QGZVFWFLSA-N 442.428 0.971 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 764226310 HRKXFODWSBEYAS-ZCFIWIBFSA-N 430.792 0.382 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)Cc2ccncc2)c(OC)c1 764355569 DPBDKKYYULOAQT-UHFFFAOYSA-N 438.444 0.672 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cnc2n(C)c1=O 765566483 XREDZULARWTWKD-UHFFFAOYSA-N 425.430 0.159 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 765751033 HDFZTEYKKYAQEK-UHFFFAOYSA-N 447.517 0.770 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 768627609 AJUWUCFRHHDJRN-UHFFFAOYSA-N 430.483 0.183 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 769199422 FISYCOHYGYNECR-PYTWLRIVSA-N 434.518 0.696 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C 769695501 YGZCYQRPWAKEIX-UHFFFAOYSA-N 429.458 0.128 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 770356098 SGLAFCAXKYOOCI-HIFRSBDPSA-N 426.495 0.219 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)s1 771607606 OEIJDLNATJUVKK-UHFFFAOYSA-N 431.879 0.814 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 773082409 VIEFXZWJBLQWSF-OAQYLSRUSA-N 438.444 0.577 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 773414129 JOYJPAWWWXZAJN-OAHLLOKOSA-N 440.522 0.883 50 20 ICGD CCN(C)C(=O)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 775951504 IIOFHXBSKRFOEW-WJDWOHSUSA-N 438.488 0.936 50 20 ICGD C[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)n1nnc(-c2ccccc2)n1 777779524 NZYAMGFDRISHHU-LBPRGKRZSA-N 443.327 0.728 50 20 ICGD COC(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 781034851 RBFZLYPSYUCSRF-ZDUSSCGKSA-N 432.458 0.617 50 20 ICGD O=S(=O)(CBr)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 782418192 OHGTYIFQRPTDCL-LBPRGKRZSA-N 427.342 0.916 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCCS3)CC2)cc1 783060922 LRBSWVKXQRGUIX-KRWDZBQOSA-N 440.591 0.734 50 20 ICGD O=C(NNc1ncccc1Cl)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784815260 SLLCGMWBQXHJLH-MRXNPFEDSA-N 445.863 0.831 50 20 ICGD Cc1noc(COc2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)n1 785059977 FJVBWLOSTWVHHO-UHFFFAOYSA-N 449.427 0.933 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NNC(=O)C3CC3)cn2)CC1 786414179 KJSODMBQYQYYHQ-UHFFFAOYSA-N 433.469 0.030 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 788274094 DQPUNMLNMAAEMY-UHFFFAOYSA-N 445.911 0.845 50 20 ICGD CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cccc21 789732973 WERDDUXXYAFNIS-CRAIPNDOSA-N 440.456 0.998 50 20 ICGD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 789750069 AXCZAYNNUBABGD-KRWDZBQOSA-N 427.433 0.502 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 795832879 GTCCNSZKKSVQCK-SFHVURJKSA-N 441.362 0.623 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368907 IMNZZASHQLBYGS-UHFFFAOYSA-N 442.428 0.794 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)[C@H]1COc3ccccc3O1)OCC(=O)N2 797428052 NUPBSQDDCFJOLC-OAHLLOKOSA-N 435.414 0.176 50 20 ICGD O=C(NCCS(=O)(=O)CCc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 800756727 MMDZPSRZXSVFJG-UHFFFAOYSA-N 436.446 0.902 50 20 ICGD Cc1ccc([C@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)o1 807023155 CQNOUOYICBYBNJ-KRWDZBQOSA-N 440.464 0.581 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 810308904 KGLZSXWKPZKJST-UHFFFAOYSA-N 430.895 0.257 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)nc21 810400092 CJQOTMOKWLOMBA-UHFFFAOYSA-N 427.446 0.644 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1nnn(Cc2noc(C)n2)c1C 815565552 SJUNIQOUFQJUNU-UHFFFAOYSA-N 442.436 0.054 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(OC)c1C 815582899 RXABTGJHKYRDGA-UHFFFAOYSA-N 449.489 0.705 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1OC1CCCC1 815691172 HKTVSJPHUXGJSG-ZDUSSCGKSA-N 442.476 0.957 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(F)cc2)cc1 910814966 JDPUSNFDNZWWFS-UHFFFAOYSA-N 437.449 0.923 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914829821 XMPYTFXEEHQGNJ-WCQYABFASA-N 445.950 0.615 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 1116735378 WDEFCQULVJTLIC-NRFANRHFSA-N 426.517 0.958 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nc(C)ncc2Br)n1 1255757432 WIJQPLJKRBTIOL-UHFFFAOYSA-N 428.268 0.859 50 20 ICGD CC[C@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 1319078801 ROZDFMQEONPZNO-HNNXBMFYSA-N 441.529 0.601 50 20 ICGD CCc1cnc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1779308203 UJGHRVUJTXENJU-FQEVSTJZSA-N 444.517 0.461 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(-n2nccn2)c1 1780239946 DHUFWXXGQCABDZ-XLIONFOSSA-N 433.896 0.619 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1780643512 DVUWWCSPVNYFQV-JOCHJYFZSA-N 431.537 0.569 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)[C@H](F)Br 1780777416 RHIOOGKOTHXUMV-XQAQDONZSA-N 446.273 0.116 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)[nH]c1C 1781326258 MMDQXGGDDSUIMK-MLGOLLRUSA-N 431.262 0.521 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1781904133 JHHYLFDSOUHHSO-ZOMKSWQUSA-N 443.346 0.922 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783537083 KITJLVBZSRKZOX-DAYGRLMNSA-N 431.375 0.236 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)[C@H](O)CCl 1784091823 ADFLWSJTRVLLAS-LTTZEQNMSA-N 427.841 0.493 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784386821 KFYTYKBPKBXVOC-ABAIWWIYSA-N 432.344 0.758 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784417902 IUYXAAGVIYVAFJ-IERDGZPVSA-N 449.577 0.765 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(F)(C3)C4)[C@H]2C1 1784586221 VEBXAAHRNDJETN-WFDLLMHTSA-N 445.495 0.992 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787018028 GSWPWJJMQNVPQG-QPSCCSFWSA-N 426.311 0.611 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788351776 KQBGPVRBNSDYSN-YXWQFLTLSA-N 426.901 0.513 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)o1 1788611733 WNAIWRNSLABQGV-OWQGQXMQSA-N 427.461 0.494 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]21 1791291564 ZPVPYCRULZZQSO-MPGHIAIKSA-N 442.520 0.529 50 20 ICGD COc1ccc2c(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)c[nH]c2c1 1792975288 PXEWHMJUESONRH-VLBMKZOESA-N 435.908 0.908 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n(-c2ccccc2)n1 1792978492 WOGWASLECNJDPS-WTLGNFPFSA-N 432.908 0.984 50 20 ICGD C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793349101 GTZKZXSNVRFKTN-ODRBZYGGSA-N 445.520 0.693 50 20 ICGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)c2c1CCC2 1797049175 YHNKEGBUIOGWLC-FJHTZYQYSA-N 429.290 0.803 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797147733 UUCJDCJHZPWERK-QKPAOTATSA-N 445.944 0.697 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797767722 YRUNAHXAVLIPTO-YMSVYLFOSA-N 440.342 0.898 50 20 ICGD CN(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799864672 FTFZVIONYFHTGF-REPLKXPHSA-N 430.553 0.532 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800638973 FNTWYSKSFGUUCS-RBLKWDMZSA-N 429.271 0.265 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(cnn3C)c1)C2 1801011593 PXJDMZWHQJZWHI-UPHUGPLXSA-N 442.520 0.150 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2N1 1801412456 NPLASHQTZUKIDV-QOIOWGMHSA-N 434.500 0.974 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802247390 URFRKXOIEJREKT-LJDSDSDDSA-N 440.305 0.374 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnn2C)[C@@H]1c1cccnc1 1805723811 JBHNLUHTDAYRCT-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cscn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362109 DTGKDHPQCPSDEY-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3nccc4nc[nH]c34)CC2)C1 1809966578 GWLPFOVDJFBQEQ-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnn1 1813074018 NVUOYSKMQNAUED-MDYRTPRTSA-N 442.524 0.313 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2CCOC2=O)n[nH]1 1818849295 DBZVZAANBXBHMB-HNNXBMFYSA-N 449.512 0.617 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819449069 KGNAKONUZSIFGC-XTQGRXLLSA-N 444.330 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822369875 RVGBWSQVYXBEOM-GDBMZVCRSA-N 434.689 0.649 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1 1826357765 MQEMGTOZBHETHN-LSDHHAIUSA-N 431.375 0.984 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1830545580 LEKLULIKTYCDKI-CPUCHLNUSA-N 444.330 0.327 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830772532 DQNKZCJKPCHPHE-JJRVBVJISA-N 436.322 0.618 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833652464 NVYUODUXHLOTBR-VQIMIIECSA-N 437.859 0.872 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1834818795 AWNLNEOQMLXAPK-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@H](C)CC)CCO2 1835598722 SYFGSRFYQVHMQE-LLDVTBCESA-N 434.375 0.990 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835680313 HGKFTYUXEWNMSG-RTBURBONSA-N 449.379 0.961 50 20 ICGD O=C(c1ccncc1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837423145 WQSOMMVNTXWGLV-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)ccn1 1837979980 XEYWZPJRZIAYAD-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838637076 MHNHLEXRGNCJJI-MRXNPFEDSA-N 425.913 0.927 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198146 VPGULMBOXBMCDO-JKIFEVAISA-N 447.305 0.666 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839963675 RMUUNFRUUZMLIS-BDJLRTHQSA-N 447.355 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840151508 FEMJIUUXLWRDEB-YWZLYKJASA-N 441.912 0.877 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)n(C)n1 1840153476 PNIJIGVCEGIXOL-KXBFYZLASA-N 428.917 0.306 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840390266 XSQIQMLCCNJMQJ-DOXZYTNZSA-N 443.953 0.618 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844740307 ZJVJSUZJYBIAER-CQSZACIVSA-N 435.868 0.749 50 20 ICGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 10159435 BCRCYMMJMLVWHS-UHFFFAOYSA-N 429.458 0.619 50 20 ICGD COc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1S(=O)(=O)N1CCOCC1 727866850 CGLOKZOJLCUUCQ-UHFFFAOYSA-N 442.563 0.625 50 20 ICGD COCc1nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cs1 728215950 MMWFRJZIVHUYIP-UHFFFAOYSA-N 425.536 0.983 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 728845623 NLSYKZWXFGVZST-UHFFFAOYSA-N 428.405 0.849 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 728974565 UXTFAXQELVCURZ-UHFFFAOYSA-N 432.430 0.624 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730203836 XYXVHXVQVOEEQT-MRVPVSSYSA-N 444.409 0.236 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 730451014 DRQQCTCYDYZNIY-MSOLQXFVSA-N 443.591 0.721 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2COc3ccccc3O2)CC1 735117060 NEQKEQDFQOIZBI-INIZCTEOSA-N 433.490 0.301 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)c1 735687463 HSZFDHWVWYZZQF-UHFFFAOYSA-N 439.472 0.594 50 20 ICGD CCn1c(NNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)nc2ccccc2c1=O 742243379 ZZQPWLHKVPIRTL-UHFFFAOYSA-N 434.478 0.426 50 20 ICGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 743284663 FQBGMJMTZBFUQK-ZBFHGGJFSA-N 425.507 0.816 50 20 ICGD COc1ccc(N2CCN(CCNC(=O)NNC(=O)Cn3nc(C)cc3C)CC2)cc1 743362823 JGYFAYBEDXWBPK-UHFFFAOYSA-N 429.525 0.661 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(Br)c2)CC1 743687221 KZNFELIYGOWFIW-UHFFFAOYSA-N 440.298 0.472 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3cc(Cl)nc(N)n3)cc2S1(=O)=O 753449469 GPGBWOUXDMRZBV-UHFFFAOYSA-N 426.842 0.260 50 20 ICGD CN1CCN(c2ncc(C=NNC(=O)CCN3CCN(c4ccccc4)CC3)cn2)CC1 755481054 IERHJPYEKDASQF-UHFFFAOYSA-N 436.564 0.891 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC 756601532 NWPGNKQGCRAODR-YOEHRIQHSA-N 427.523 0.752 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048486 TTYNBSHQMRZKAX-UKRRQHHQSA-N 428.511 0.413 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(CN2CCOC2=O)c1 763548821 SPVBVLVTVDOUKB-UHFFFAOYSA-N 426.385 0.767 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)COc1cccc(C)c1)CC2 763624373 MFPRSGBPVJQFDS-UHFFFAOYSA-N 446.485 0.019 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 763665567 KEYFDWFOSWBZFA-UHFFFAOYSA-N 448.501 0.864 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 763760432 OVVIEJFBRDIKIG-UHFFFAOYSA-N 444.444 0.956 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 763861880 SMAWWOVYRNRZBT-LLVKDONJSA-N 432.408 0.877 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 763947955 HBFHUINWYSEMGU-UHFFFAOYSA-N 448.439 0.887 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764313256 JPRKYWRQXJQHJF-UHFFFAOYSA-N 426.404 0.803 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)n(C)n1 764379500 ZQAACJNJCAXPNJ-UHFFFAOYSA-N 441.448 0.790 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C\c1ccccc1 767270471 YVTZBHYLTUWGQG-QXMHVHEDSA-N 445.497 0.818 50 20 ICGD Cn1cnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 768992884 QWLYAOYKWNZINH-UHFFFAOYSA-N 443.489 0.438 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772197567 YKZAYMHENKCNBK-UHFFFAOYSA-N 442.881 0.569 50 20 ICGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)COc2ccccc2O)cc1 773788085 PHLOTRRZXBUSLI-UHFFFAOYSA-N 438.462 0.552 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 776076912 PADDOGNRFRYBPO-YEWDVWPNSA-N 429.470 0.660 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@@H](C)O)cc1 779532015 QCNSAEFZRPMQQP-KUHUBIRLSA-N 445.501 0.061 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 782053510 OMQMOTRPYUHZEI-SFHVURJKSA-N 433.534 0.646 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 782838006 WGSIZKABWTXVKS-UHFFFAOYSA-N 432.458 0.576 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 786725894 YVRRBWRNCPTCAU-QWRGUYRKSA-N 440.927 0.498 50 20 ICGD C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NNC(=O)CNC(=O)c1cccs1 799911354 CAFCDNSADAFRDB-NSHDSACASA-N 439.519 0.559 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 801106294 TVNUHXQHZXBDEL-UHFFFAOYSA-N 449.445 0.310 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)CNC(=O)c1ccco1 801749084 QQOVFXHYHFVGRE-ZDUSSCGKSA-N 437.478 0.097 50 20 ICGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 806305834 ACZAOTUUWGYIFZ-UHFFFAOYSA-N 430.490 0.796 50 20 ICGD O=C(COC(=O)CN1C(=O)COc2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 806848355 GHOJSUMEPQRYCI-UHFFFAOYSA-N 428.357 0.325 50 20 ICGD O=C(NNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cnnn2)cc1 807137046 XWFNVRXZFZMSBY-UHFFFAOYSA-N 437.420 0.747 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCn2cnc(C#N)n2)c2ccccc2c1=O 807511910 FEINYZNMJSOFSD-UHFFFAOYSA-N 437.464 0.694 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc(Cl)c1 845924355 YVRVWMOXNVCJBD-NXKWAJLKSA-N 431.832 0.451 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](B(O)O)C2)c1 864233519 ILIYCTOIOPUGSK-JTQLQIEISA-N 435.105 0.063 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 906374631 KBQIADRCABSXNO-UHFFFAOYSA-N 427.504 0.546 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCC(=O)NC3)c2)cc1 916095808 ZSJPZABJKAXPLW-AWEZNQCLSA-N 446.485 0.783 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1ccoc1 916636146 YZKWFHMMCJXNFU-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD C[C@@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 920933042 LIIANNJHIHQLJB-UTUOFQBUSA-N 431.540 0.340 50 20 ICGD CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)COc1ccccc1O 1318860731 ZUTXPWDTSVOROG-ZDUSSCGKSA-N 436.490 0.912 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccncc3Cl)CCO2)C1 1779031488 AVWFJHFZLIMAOT-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389200 NPWVGDLUGZGQNT-MEBBXXQBSA-N 430.259 0.935 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782176037 VOYUTNMPBDASEM-DEXNDLTESA-N 432.949 0.462 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783262651 CMURWRCXQXRJKV-HNNXBMFYSA-N 435.500 0.180 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783321270 BXJVHAKZNYDJPN-SBUREZEXSA-N 438.289 0.277 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1783534694 NGQONXYPQZNXMF-PIGZYNQJSA-N 438.282 0.662 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1783856876 DOGNANFADBNPJF-QOIOWGMHSA-N 428.913 0.826 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)cn2[nH]cnc(=O)c12 1783948447 MUJYMXLBFULPNB-QGZVFWFLSA-N 428.276 0.578 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21)[C@H](O)CCl 1784090814 NKFKLKDIKKITJP-CLROSIBMSA-N 436.896 0.248 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092955 YKOKWFOUDFHXOR-BHADISHBSA-N 441.868 0.802 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1784624097 LTPLMGZOVCQDOF-JONQDZQNSA-N 440.928 0.645 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784814750 DQCPALXDIFDXHH-RBZJEDDUSA-N 445.944 0.575 50 20 ICGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)n[nH]1 1785840383 ZOTNZGPSBWVGSJ-NUZBWSBOSA-N 431.262 0.896 50 20 ICGD CC(=O)N1CCN(CC(=O)NC2(c3ccc(NC(=O)[C@H](O)CCl)cc3)CCC2)CC1 1786134236 FBTDUAHTVQKMOS-GOSISDBHSA-N 436.940 0.884 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)N(C)C(=O)OC(C)(C)C 1789757022 QPQVNPMDEZUOIF-CWVYHPPDSA-N 447.960 0.821 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1789867106 XUCKZJTVHCZEMI-XSLAGTTESA-N 426.989 0.764 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21)[C@@H](F)Br 1789925646 SUZGRWGAGSGYTM-FTYOSLGDSA-N 448.211 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c(F)cccc12 1797493506 YUAUGFZGVMFCMD-IVWMJMPLSA-N 446.483 0.278 50 20 ICGD Cc1cc(C)n(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798440777 RDOLFZGMAIJAMS-MUJYYYPQSA-N 425.493 0.450 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2)[C@@H](F)Br 1799348277 BRMQTTBXAHSSSH-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800372853 QAJUBEQFQDBWSU-YDGKCNFYSA-N 448.539 0.967 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2 1801008941 IZSDJRZQAITOND-UVNIEQTBSA-N 446.523 0.892 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779218 IUABOIHABMDXQN-WIYYLYMNSA-N 446.272 0.028 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCCC2(CCN(C(=O)[C@H](F)Br)CC2)C1 1806590517 QALVAKOWLZDDPD-ZDUSSCGKSA-N 433.278 0.460 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807116601 WHIHRYDBLKLZJK-APWZRJJASA-N 432.601 0.779 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1F)CC2)c1cccc(B(O)O)c1 1815354854 VEDCJXMFXUARRM-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815476511 NERZHATXFQSCDP-TZMCWYRMSA-N 437.884 0.971 50 20 ICGD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1815648398 XBFRWXFHMCBJKL-KOLCDFICSA-N 426.882 0.678 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817090124 UHSGKQLRZKZBIN-APPZFPTMSA-N 427.870 0.824 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470457 RMSPWJUXHHHFSJ-KDOFPFPSSA-N 426.282 0.987 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)c1cccc(B(O)O)c1 1817477013 VIUMWPAFRLICPH-CQSZACIVSA-N 425.210 0.403 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817599745 UOXUFEUIPVZEBK-GFCCVEGCSA-N 443.319 0.522 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827703323 SFOKWFSIYDNBDP-FQEVSTJZSA-N 443.353 0.372 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1830236246 QONIMTDJBFIUQZ-QRQLOZEOSA-N 429.005 0.842 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1830534805 CKVXONYFIKZRHT-ACJLOTCBSA-N 443.294 0.950 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738258 NFSXPKCNUSWJCV-FXAWDEMLSA-N 436.896 0.092 50 20 ICGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738846 VSIOYDFCUQNHRB-APWZRJJASA-N 428.917 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCn2ccnn2)CC1 1831876602 LQXYEBKURPFEMJ-SFHVURJKSA-N 433.557 0.661 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1833039306 HBEKHZLGMPPNNR-HXUWFJFHSA-N 438.601 0.808 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1834552655 NYLHMAMVFOVLQJ-KBXCAEBGSA-N 432.304 0.713 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834798496 CAUQUYDWHVDHPM-GOSISDBHSA-N 435.280 0.207 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819562 RDRZOBFKYSCQNC-GOSISDBHSA-N 443.342 0.892 50 20 ICGD O=C1CCCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826816 XKODDHDQEMMKKI-SFHVURJKSA-N 446.342 0.240 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCCO3)CC2)CC1 1834901956 OFJQHGIZOZVXMF-LJQANCHMSA-N 444.536 0.049 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935659 XYMGFWGUIUAAEI-NRFANRHFSA-N 444.318 0.120 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1836469065 KOPBAOZURZOAEV-KBXCAEBGSA-N 429.832 0.457 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046577 NHGWRKCJFHDPOX-OAHLLOKOSA-N 428.917 0.554 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161501 BRBVSHRQABJTFW-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)c1 1839023719 ZDANUQJOPCNEHD-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)N1CCN(C)CC1 1839101833 URIKLASRMGYHHE-LAUBAEHRSA-N 445.004 0.344 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839963338 IELZKEAEAXSPEP-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840151989 TUSXNNFJYHBZTQ-OXQOHEQNSA-N 436.896 0.838 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840156848 WBMYHKUZXCTPBF-OXQOHEQNSA-N 439.896 0.109 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190006 XNGZBPJGVOYYCC-BZNIZROVSA-N 427.281 0.808 50 20 ICGD O=C(c1nccn(Cc2ccc(F)cc2)c1=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349646 FHPDRJXOAWMXDJ-MRXNPFEDSA-N 448.882 0.847 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2c(F)ccc(F)c2F)C1 1841773028 OSAZVHSAXGCSOB-UHFFFAOYSA-N 432.207 0.843 50 20 ICGD CC(C)NCCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842994649 KHODPZCXUXURHN-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD CN(C)CCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038639 BUCFJJBCEZMHJB-UHFFFAOYSA-N 430.553 0.488 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845505103 OVZMEYMEKIUTTR-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2 1846257372 JZVDZWCPGCTSNX-MRXNPFEDSA-N 436.933 0.140 50 20 ICGD CC(=O)NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848098693 QXGJUUMIPSHAJU-KKUMJFAQSA-N 430.933 0.847 50 20 ICGD Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 9890039 XPDCQZILKWCNIS-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 14768751 ZLMPEPBGLNUOSA-ZDUSSCGKSA-N 435.458 0.366 50 20 ICGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(F)(F)F 105570495 AEBOQABJTJYGKU-OAHLLOKOSA-N 448.427 0.314 50 20 ICGD COc1ccc(-n2nnc(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)c2C)cc1 728722052 MGGMQVWYZIHMSJ-UHFFFAOYSA-N 444.473 0.896 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CC1 728889071 NYQALDNIZOYMQG-DAQNXSASSA-N 426.521 0.798 50 20 ICGD COCCOc1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 728945941 QNTHKSZVRRMJAZ-UHFFFAOYSA-N 429.481 0.644 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1OC 730582881 IDWRUMGFZOAXNY-UHFFFAOYSA-N 446.551 0.417 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)CCc2ccccc2O)cc1 743337652 BEHZPFILYJEJTA-UHFFFAOYSA-N 433.486 0.648 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1ccc(-n2cnnn2)cc1 743510367 VTFOQPXWAUVIJZ-UHFFFAOYSA-N 438.423 0.500 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744384743 OWHVAIGLSPYIHX-HDICACEKSA-N 440.548 0.441 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 747855939 DXOWPOPCLHHFNA-UHFFFAOYSA-N 425.195 0.989 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 748465827 SNELDXPRKOJNHS-UHFFFAOYSA-N 437.504 0.875 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 751538370 IDSUNDXIEKCFAY-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 753563681 MNBJDACZAAVZID-LBPRGKRZSA-N 434.312 0.094 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)c(C)o1 756439307 GILSUJUTUDNBFU-UHFFFAOYSA-N 445.837 0.515 50 20 ICGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 758192285 NTWRECKYHXMZCT-UHFFFAOYSA-N 437.460 0.254 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)Nc3ccccn3)cc2)C1 758828010 PFYCLXABUUIKGS-CQSZACIVSA-N 445.501 0.902 50 20 ICGD Cc1ccc(I)cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 763302350 MOHBFZZZXYIYFP-SNVBAGLBSA-N 437.259 0.731 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763682579 WSDUIDXXQOHXEU-UHFFFAOYSA-N 425.401 0.926 50 20 ICGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763882375 TVLVBCPVBNXWDA-UHFFFAOYSA-N 436.494 0.438 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)n1 763892454 FTJDIFVITYRSGJ-UHFFFAOYSA-N 433.856 0.469 50 20 ICGD CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921653 NFWIDKBIDBBYSQ-UHFFFAOYSA-N 427.396 0.990 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 763936935 SHKOQUPDLCWYMU-UHFFFAOYSA-N 438.893 0.718 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 763957656 INFFBQJFSWXFKL-GJZGRUSLSA-N 442.476 0.227 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n(-c2ccccc2)n1 764267349 UBWKWDZZPVMRJA-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c(C)c1 764288528 JWGGTAQIUCYGBC-UHFFFAOYSA-N 429.429 0.971 50 20 ICGD CCOC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 765737074 VBNHPRIOTUCOHD-UHFFFAOYSA-N 445.520 0.460 50 20 ICGD CCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777483 JOJHDZABJVGVMY-UHFFFAOYSA-N 448.339 0.642 50 20 ICGD COCCC[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 777995449 WBJQEIIVVOGNPD-QGZVFWFLSA-N 440.566 0.511 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCCS3)CC2)cc1 783060926 LRBSWVKXQRGUIX-QGZVFWFLSA-N 440.591 0.734 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CCS(=O)(=O)C1 783428906 YNPNDPLUXUSEQU-QGZVFWFLSA-N 430.914 0.313 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)c(C)c1S(=O)(=O)NC1CC1 784969466 MLXKROKZYXFPER-UHFFFAOYSA-N 447.521 0.682 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 790063602 OKGSKHMPTYNSAI-HNNXBMFYSA-N 443.522 0.694 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O)cc1 792538176 APJOVLWUKGDIOR-WBMJQRKESA-N 436.446 0.392 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1C(N)=O 797369073 NIROBELJPREAEV-UHFFFAOYSA-N 427.417 0.106 50 20 ICGD C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068618 APVXTVJOTFOKBH-WHXUTIOJSA-N 426.524 0.507 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804953552 UWFZRVQVBFQYDJ-OCKNTNFFSA-N 446.471 0.909 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 808044049 MPKVNGOIVLSOBW-CYBMUJFWSA-N 446.522 0.884 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CCCC#N)N(S(C)(=O)=O)CC2 812455881 WPDTYSHUSWFLTA-OAHLLOKOSA-N 438.506 0.794 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cccc21 813033310 NCOCBNUJRBBEJQ-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)n1N 813508100 AWGRHOBRHURMBU-UHFFFAOYSA-N 425.902 0.154 50 20 ICGD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2)n1 815691585 UWWXXZLKILFMLB-ZDUSSCGKSA-N 438.448 0.547 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CC3CC3)CC2)cc1 819105149 YQULMHJJOXTZND-UHFFFAOYSA-N 436.534 0.556 50 20 ICGD CCCCCn1nc(C(=O)NNS(=O)(=O)N(C)CCOC)c2ccccc2c1=O 821128360 WYXLYVCXGHEWMO-UHFFFAOYSA-N 425.511 0.644 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccc2c(c1)OCO2 913415647 FZEWKXIYCOEFKL-UHFFFAOYSA-N 449.441 0.316 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(=O)N(C)C 916577506 GKTYBNYKSIULDD-AWEZNQCLSA-N 436.472 0.866 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 918091107 PEHRAYKCURRDSG-SFHVURJKSA-N 428.445 0.872 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc(F)cc2Br)CC1 918211300 ISPFSRVDKCTZDY-UHFFFAOYSA-N 430.278 0.696 50 20 ICGD CCOc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1O[C@H](C)C(=O)N(C)C 920384149 ISPMAXALUAGUMN-HIFRSBDPSA-N 440.522 0.761 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1C 1318595610 CVTAKTKSGBXWEW-UHFFFAOYSA-N 439.519 0.870 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1n[nH]cc1I 1320321170 FUMHCHUASUQRKT-UHFFFAOYSA-N 438.226 0.483 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115962 RMTKILRBESCDNH-YJBOKZPZSA-N 435.974 0.505 50 20 ICGD COc1ccsc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032208 GRYJAJFTGIYZLU-HXUWFJFHSA-N 445.501 0.513 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779177992 XDDWNGZNBRUMLQ-XOBRGWDASA-N 437.928 0.690 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779298764 NMGVNZAEXJUOQP-FQEVSTJZSA-N 445.552 0.385 50 20 ICGD CC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371198 QAGAKXUYVZFAHS-DYESRHJHSA-N 431.493 0.182 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1782667725 DBFGVQZSTJBLDR-KKSFZXQISA-N 448.596 0.881 50 20 ICGD Cc1ccc(C)c(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1783289495 LGZRQFLFFXQFIV-DEOSSOPVSA-N 436.317 0.669 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933277 UHZOVRYKEBLAAD-JOCHJYFZSA-N 448.520 0.277 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCN3C)CCO2 1783935873 ZQDJWPDEEQBQOK-QHCPKHFHSA-N 443.548 0.495 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945401 MKPWHTSKAWEKED-LASGFXPTSA-N 430.292 0.754 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]3C2)o1 1783965284 GVVFPBXYKOJDLZ-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786898043 BOFPMTPVUMIJGV-HPCHECBXSA-N 434.331 0.202 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1789873376 VMWRVYGBIALRFX-VEABSNGSSA-N 448.269 0.881 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)[C@@H](F)Br 1789926346 TVNKQLGTMZYVMU-TZQJONAQSA-N 445.289 0.949 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790753242 GAMWHOZEAYBLGB-CSFVBSKPSA-N 443.859 0.856 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792523218 YSRJMMFOSUGSAZ-RMFSNUHRSA-N 434.301 0.301 50 20 ICGD Cc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793993588 SEGABKLBEIDSMV-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c12 1796146368 WVYHRSVRVIHZRV-HBCWATKFSA-N 428.493 0.139 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cccc(N2CCOCC2)n1 1796619607 ZAEUBKYSYUQWHH-YWVIFJGQSA-N 443.331 0.925 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797540141 MJQYCTPGCDOYQF-BAESOJJISA-N 435.864 0.278 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2 1797753865 IZPRDLVVYWVTET-FYXPVKHUSA-N 441.532 0.715 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035385 DAYVJSCMZDJIAW-WYFGTUCQSA-N 444.248 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803452448 OUGUAIDHXNWOIL-LAUBAEHRSA-N 432.484 0.813 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670947 LOUBTASDSBQHMP-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369970 ZOFMEDQYYRHEBX-MJGOQNOKSA-N 433.277 0.128 50 20 ICGD Nc1nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cs1 1809860256 MJRZBJOQHHXFDC-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc4ncccn4n3)CC2)C1 1809972038 KLGDZPBOHRXYPT-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1809980265 SMTFIKPCJGYZGH-AQNXPRMDSA-N 426.322 0.779 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814873657 SYDUFQCYGVGXGC-KKUMJFAQSA-N 444.872 0.496 50 20 ICGD Cc1nocc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354759 CLMVYPDVDINGKD-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnsn2)n[nH]1 1816166931 BLTIRCRTABWOIP-AWEZNQCLSA-N 441.477 0.879 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(=O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817471076 QRSCULWAVLFLGI-MRXNPFEDSA-N 436.233 0.871 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822431841 CUCHIOVPMWWYGE-DLBZAZTESA-N 446.338 0.509 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1824452056 XMFJJAHOOGMNFE-NWDGAFQWSA-N 445.549 0.708 50 20 ICGD Cn1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)n1 1825980207 OKIOZKGVAOUCRV-IBGZPJMESA-N 439.520 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)CC2 1826087663 IVFSIQMEPPUKME-ZDUSSCGKSA-N 432.506 0.375 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnn1 1826089651 JZFCCHUEWVNJAM-NWDGAFQWSA-N 434.526 0.281 50 20 ICGD Cn1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827053009 SKOLKXQOWRTZPB-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1830180414 VSXAHLLYPSGUIL-IRLDBZIGSA-N 441.381 0.942 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830735663 LBQPZHOGYVAQEF-ZOWXZIJZSA-N 427.723 0.216 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1831108508 QSEYQRNLDYCNMI-APWZRJJASA-N 446.386 0.958 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1831646817 NBNMXNHJVLDOPH-ACJLOTCBSA-N 428.873 0.365 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1832207613 IGDRBLPCYZCGID-AEFFLSMTSA-N 433.557 0.832 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1832590227 JOMWWQHLCPSRQO-UZLBHIALSA-N 441.912 0.079 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832808007 FOSAEHOLHAMDAM-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD Cc1cnc2c(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)cnn2c1 1833309857 BPJSSVZJEGWQCS-GOSISDBHSA-N 448.955 0.823 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833574538 GGBMVQNKDMOWCQ-SJKOYZFVSA-N 434.276 0.110 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835708314 XAKOLVJBDVFSMF-YEWWUXTCSA-N 441.326 0.321 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)o1 1836715681 WMBNFJSLINTOOY-HNNXBMFYSA-N 428.917 0.953 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1837059125 ZWBMIAVACBPBQG-MRXNPFEDSA-N 442.944 0.847 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837320121 QMYOIDXBJISUOF-CYBMUJFWSA-N 437.198 0.352 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839200178 HISYKBAFJDIVSH-GDBMZVCRSA-N 433.278 0.408 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839963134 AUFAULGEXQBXAM-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840154990 MBKKLPRVRZICBI-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840156523 UIIYZXWTBVKBRQ-SIFCLUCFSA-N 440.928 0.225 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1C 1840185525 SUTYWMWDQOOZNG-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1840185955 XIGBPLDQDWFNFH-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CN1Cc1cccs1 1841977511 AXUIYOHKARRGNJ-ZFWWWQNUSA-N 425.938 0.900 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC)cc2)c2ccccc2c1=O 17163871 WWCKGCJDWVXGLR-UHFFFAOYSA-N 443.485 0.789 50 20 ICGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 725896836 PJWNNGMBRDIMGK-JTQLQIEISA-N 439.881 0.959 50 20 ICGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728845980 SDYCSUBMJUYXHU-UHFFFAOYSA-N 441.448 0.569 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)C(N)=O 740749343 VSVGEYMVMNMDIA-INIZCTEOSA-N 444.517 0.527 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 740851860 ZJJUPISXOPIXTF-INIZCTEOSA-N 438.550 0.681 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 745003052 VJGXFGFJMDDRSC-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 745992612 FQRDZORYLJOWTI-UHFFFAOYSA-N 440.522 0.947 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 746121751 XXFOZSSZBZORQO-OKILXGFUSA-N 447.989 0.851 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1CCSCC1 750331146 QBOWNMGUEWYBMQ-UHFFFAOYSA-N 428.536 0.547 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc[nH]1 751267023 AMVQBVPXOSPAAX-UHFFFAOYSA-N 426.398 0.479 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 751267032 ARPJJOKDOJWLNK-SECBINFHSA-N 433.895 0.641 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753612693 SSBBGTJYAFVSQJ-HNNXBMFYSA-N 429.520 0.199 50 20 ICGD COC(=O)c1cccc([C@@H](NNC(=O)Cc2csc(N3CCOCC3)n2)C(=O)OC)c1 753997571 FOIWAWFGOQSZEF-QGZVFWFLSA-N 448.501 0.844 50 20 ICGD CC(C)C[C@H](CCO)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 754376117 UEQDKQUAYVTQSO-INIZCTEOSA-N 442.586 0.689 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CCN(CC(C)C)C2)cc1 757288025 BFIONCCGHACSKF-QGZVFWFLSA-N 439.582 0.924 50 20 ICGD Cn1nc(Br)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 758785282 FMPMYSAPZAWZTH-LBPRGKRZSA-N 439.222 0.327 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Cl 762224079 VTOJCZXSPLSKRO-KGLIPLIRSA-N 429.926 0.769 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 763618824 FRRVZODOOCOPEU-UHFFFAOYSA-N 428.445 0.627 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1c(C)nc2ccccn12 763629902 SHTSPFQBACQLKP-UHFFFAOYSA-N 425.401 0.838 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 763759187 WSHJAYJSSNFMHA-HNNXBMFYSA-N 437.456 0.358 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccccc2OCC(F)F)c2ccccc2c1=O 763791761 YMCSXFUMHZAKRW-UHFFFAOYSA-N 445.382 0.977 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)n1 763891200 LRKXGVGUFSIQQZ-UHFFFAOYSA-N 446.361 0.960 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 764004358 FBUREACIFDVAFM-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764023610 AJEFUPPUGKCFCU-QGZVFWFLSA-N 438.444 0.044 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)n[nH]1 764106286 HFFYXJFBCUZNTF-KRWDZBQOSA-N 440.460 0.286 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)ccc1C 764143081 FKLHJDURYLFXBZ-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc21 764166423 BSBPAZAGTQLRJQ-GOSISDBHSA-N 437.456 0.868 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)c2)c1C 764296969 KSIIPOIDDUEAHL-UHFFFAOYSA-N 439.432 0.409 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n[nH]1 765603048 YWKKRQWZHJEAGU-LMSBXDPUSA-N 439.428 0.009 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccc(Cl)cc3[nH]2)n(C)c1=O 766646270 YJBJXWCDTKLCAQ-UHFFFAOYSA-N 429.824 0.030 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(C)CCO1 770438902 UHYSGZGQNRBOHH-PBHICJAKSA-N 439.538 0.134 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 775204838 DQAFETCCPVZJFM-UHFFFAOYSA-N 443.493 0.503 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCc1cccc(N2CCOCC2)n1 776256653 OPNLYUZSSACBTJ-UHFFFAOYSA-N 430.421 0.736 50 20 ICGD Cc1ccc(-c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)o1 782014491 OHFICPCIEQXEJN-UHFFFAOYSA-N 442.457 0.525 50 20 ICGD O=C(NNc1ccccc1F)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 782702431 HOTOALVFPFMMPG-UHFFFAOYSA-N 429.452 0.970 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 784000119 WOTVVWXSORBLIP-UHFFFAOYSA-N 438.440 0.752 50 20 ICGD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002000 HXCHXKXWTOQISZ-UHFFFAOYSA-N 435.824 0.797 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 784852683 ZEOCLXKCXQTXNA-UHFFFAOYSA-N 446.485 0.756 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 784915601 DXULEKAIPDADCE-STQMWFEESA-N 441.510 0.116 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(F)cccc2OC(F)(F)F)c(=O)n(C)c1=O 788975636 QTEZVVPMMNXPDV-UHFFFAOYSA-N 435.359 0.759 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)[C@H](C)O)cc1 791811725 WDQRULHIMAPVJC-OXJNMPFZSA-N 449.529 0.866 50 20 ICGD NC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 792572079 OVHBWYQSAOZHHP-UHFFFAOYSA-N 430.486 0.574 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794720953 NDAYQRSJRJBOGW-MRXNPFEDSA-N 432.568 0.974 50 20 ICGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NNC(=O)c1ccc(F)cc1Br 798281576 OHYGAFZJRZTIHH-GFCCVEGCSA-N 431.262 0.756 50 20 ICGD CO[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 798823481 NKVPNHDPYHVDLG-KRWDZBQOSA-N 435.506 0.743 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1Br 799926662 UZUGDSMHBCWPBP-JTQLQIEISA-N 435.300 0.565 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)NC1CCC2(CC1)NC(=O)NC2=O 804872222 GXXMJXJYJALAMM-UHFFFAOYSA-N 430.284 0.975 50 20 ICGD CSC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCN(C)CC1 812550331 ZNRBZFDRSZKVAT-UHFFFAOYSA-N 443.595 0.708 50 20 ICGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 814360979 QSEFFMBVCBMHCC-HOCLYGCPSA-N 425.507 0.674 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)C2CCN(S(N)(=O)=O)CC2)c1 818767830 QWGSJIAATLICMM-UHFFFAOYSA-N 435.300 0.594 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 825164121 GNYJLZTWRBSAQV-NRFANRHFSA-N 441.419 0.687 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cncn3)nc2)c1 861624222 OJOPOEKYAVUDNE-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 913055282 NZAVWNLCEUQGEN-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD COc1cc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)ccc1OC(C)C 913153672 VCRQHGQAZJOSJP-UHFFFAOYSA-N 425.507 0.835 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)[C@H]1COc2ccccc2O1 914821552 GDRWCLIBJQEGAN-RDTXWAMCSA-N 439.424 0.570 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 919960692 ACDUUEDXMQEHOX-SSDOTTSWSA-N 433.842 0.621 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1319013346 VPXCSBQMAZBUPA-SFHVURJKSA-N 428.474 0.476 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264525 WVTFUVOJTDDHEU-QAPCUYQASA-N 431.375 0.237 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779032593 NUTOAKARRZPMMD-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1779037560 CMUQXHTWTBTJFW-JKSUJKDBSA-N 425.382 0.537 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1781995499 NQYFIXZYASWNIC-KYZVSKTDSA-N 430.343 0.810 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785547 LSLNRHDIBFQXSQ-LJQANCHMSA-N 440.884 0.851 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1783873769 UMAORNBJYIMGHC-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1783936232 SLYNEIUHHBMJFB-NRFANRHFSA-N 428.493 0.379 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096011 QVFANHDRTXMTSW-RBZJEDDUSA-N 447.960 0.869 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740797 LMTRMIURHJWPHI-WFASDCNBSA-N 425.345 0.282 50 20 ICGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c(=O)nc1O 1785354773 WSEQVXAKNOURNM-ZWKOTPCHSA-N 447.319 0.324 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2n[nH]cc2c1 1787301406 OFJYTPACNKUKDE-LRQRDZAKSA-N 448.288 0.150 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)n1 1787634905 RYKZPYHRBJFXJW-DZKIICNBSA-N 443.342 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nccn4c3)[C@H]2C1 1788057581 FFKKVWVLPYFMFW-BZSNNMDCSA-N 442.520 0.301 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788239936 YGHCHGGSZKJBIM-MUAMBBPCSA-N 429.521 0.715 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790744185 BBBIFHOETCAVOI-XUXIUFHCSA-N 437.356 0.328 50 20 ICGD CC(C)[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793235671 GHAFWOUWJJHTHR-JTJHWIPRSA-N 445.564 0.988 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1793843556 FFTIFFQKYHHVLO-MRFPZENKSA-N 442.321 0.598 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006715 WEGBBABHYAGPBE-NDPMZMCLSA-N 444.286 0.554 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(OC)n1 1794015003 SKAYJDQUIXNWMV-QHHYFVSCSA-N 425.913 0.866 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nn[nH]c1C(F)(F)F 1796188484 MTVDECYLBKQBLW-CLLJXQQHSA-N 437.187 0.069 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnn2ccncc12 1797061716 STIHPFCGFQYPKN-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1797830985 OYRRPZHYOPQGBP-KOUNCHBCSA-N 449.316 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1-n1nccn1 1799671410 HNRHIKMUVLERLO-KPEUIFRASA-N 433.896 0.724 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1800761842 HADWKLWGEQEERG-DYNIEEOBSA-N 440.273 0.855 50 20 ICGD CC(C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814945516 AXQOYYYVDBOXOH-NVXWUHKLSA-N 429.481 0.731 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ncccn2)n[nH]1 1815998430 MNVBBIKNDOEFLU-MRXNPFEDSA-N 449.475 0.747 50 20 ICGD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cnn1C 1816563758 DVKIDOQETDYXMN-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CC(C)(C)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794893 GELFJKGUOVXMBC-LLVKDONJSA-N 445.549 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1 1822413885 DRXASGKWBZFXHA-MRXNPFEDSA-N 443.508 0.637 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736454 SLHVODGWKAMRMX-UWJYYQICSA-N 449.891 0.610 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831727968 XFJYWCWXJURGDN-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD Cc1csc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1831776769 YXYXIPBRHSMOPZ-NRFANRHFSA-N 444.318 0.120 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832972996 ZLSRBOLVVHBZLY-MAUKXSAKSA-N 431.942 0.704 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833530068 LECCCQCPTBSVED-JKSUJKDBSA-N 441.960 0.564 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1835736691 BSIBSKOIHVVFNL-INIZCTEOSA-N 440.907 0.405 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835805320 AAMNOURFRSEDFR-WMLDXEAASA-N 426.949 0.086 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836873672 DRWFUFIPNJQIES-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837238511 LATHRKCNKCPXQB-CPJLOUKISA-N 439.372 0.387 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccno3)CC2)CC1 1837461330 HIGBWFVRAKHJGV-UHFFFAOYSA-N 442.476 0.599 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)cn1 1837711497 JUPMBZNEPIHJAW-FQEVSTJZSA-N 438.601 0.661 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838509535 FBONSCQVQCTXSU-UHFFFAOYSA-N 444.319 0.991 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149955 XDPZLSIQAKNWNY-XOIGSVRCSA-N 448.347 0.538 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840031265 KQDQZMFGXOIWGT-CXAGYDPISA-N 429.315 0.582 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1 1840034260 GKPUFNGCIYCSQA-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1840153573 UKMNVYJYRKLCLF-FPZJGVQBSA-N 427.885 0.706 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840493013 PFTAHKRJYXCQBL-ALKREAHSSA-N 428.917 0.463 50 20 ICGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC=CCC1 1840554478 YKVFAKYJXJCEFJ-XZOQPEGZSA-N 442.321 0.183 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cn3cccnc3n1)C2 1843416299 UPAAIAIYQICBMN-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846839368 VXRYWDRIFLOXHQ-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c(C)c1 1846919978 AQPXMEKTUGMXQK-UHFFFAOYSA-N 430.505 0.972 50 20 ICGD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NNC(=O)[C@H]1CCS(=O)(=O)C1 9931219 GDZDFLZRDKCHQO-VIFPVBQESA-N 438.384 0.998 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)C2=O 13082350 KPEVIVKBOATAPB-ZSEKCTLFSA-N 440.460 0.840 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 16232718 XAQMZQJFAQZYDK-UHFFFAOYSA-N 436.490 0.194 50 20 ICGD CCOC(=O)c1cnc(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)nc1N 26246384 YMSAKXLVXKTSEJ-UHFFFAOYSA-N 435.462 0.806 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC(=O)Nc1ccc(Br)cc1 725870804 AWJAXTYUCGRJNF-UHFFFAOYSA-N 438.238 0.741 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2nc(-c3cccnc3)no2)cc1OC 728079074 JTTRXOUCMBCLDP-UHFFFAOYSA-N 448.461 0.961 50 20 ICGD O=C(COC(=O)CNC(=O)OCc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 728331525 BSPCMENNYYPFJX-KRWDZBQOSA-N 443.412 0.443 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 729258109 BQWACHFUYYWNSN-MRXNPFEDSA-N 425.445 0.798 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733371425 YBFSMZKPTZCFSC-UHFFFAOYSA-N 443.485 0.560 50 20 ICGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 733659727 BZHRPHGCJAHASY-INIZCTEOSA-N 425.555 0.352 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COCc2ccccc2)cc1 738545954 WQJWUOLXGYTYCQ-UHFFFAOYSA-N 433.486 0.922 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 744562301 XHJQCRXAHURGPB-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD CN(CC(=O)NNC(=O)Cc1ccncc1)S(=O)(=O)c1ccc(Br)cc1 747323283 QTCGZZNNXDJTOS-UHFFFAOYSA-N 441.307 0.855 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cc(Cl)nc(C)n2)c1 748333422 DDZCGULBDXMMBQ-UHFFFAOYSA-N 428.902 0.774 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(CC(=O)O)cc2)c1 748639824 NVZJJZRHNUDMOS-UHFFFAOYSA-N 441.487 0.187 50 20 ICGD COc1cc(F)cc(NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c1 748909569 YNMLVCAOXVGMQQ-UHFFFAOYSA-N 430.483 0.954 50 20 ICGD COC(=O)c1cc2c(/C=C(/C#N)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc(OC)c2o1 749009706 GIYFCSHLKOQEFF-XFFZJAGNSA-N 438.396 0.997 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)n2nnnc2C(C)(C)C)cc1OC 754974522 MQSKVVSLDPZCDF-NSHDSACASA-N 434.453 0.553 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3F)cn2)C[C@@H](C)O1 756838085 LFNZRRWFHHJDRF-ZIAGYGMSSA-N 448.455 0.890 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763470611 MFZCUIGTIRGTNS-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570002 CYTNYJHDBGXECK-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1 763631555 YSAUPURUDYGCRX-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)cc1 763662267 WRXOBRNHZXUOFS-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763775913 YJWSFBZCMOAFPP-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)c1C 763856149 YTTKNQURXMTBDW-AWEZNQCLSA-N 428.445 0.721 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763871117 CYMKEUCDGJUKDJ-NSHDSACASA-N 429.408 0.570 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 763918667 JORSDSDHROZJOZ-UHFFFAOYSA-N 437.449 0.578 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 764041099 QPSLPJRNRIELRY-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1O 764130198 CWJAVPRXYRUPGA-BETUJISGSA-N 443.460 0.809 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccc(Cl)c1 764345887 ZWWYSDAQQQFSPQ-CRAIPNDOSA-N 429.864 0.832 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 764398330 FMDUUUFSRDZTDX-SECBINFHSA-N 434.371 0.801 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC 764399038 JGARMZPBRSRYRK-JTQLQIEISA-N 432.271 0.985 50 20 ICGD CC(C)c1ncc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)[nH]1 765119274 UAQOIWDLUPAIKZ-UHFFFAOYSA-N 434.522 0.301 50 20 ICGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766659881 HRTIPZDGUNRPGT-UHFFFAOYSA-N 447.923 0.481 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)s1 773230057 BFXCPZOPHOIJTN-UHFFFAOYSA-N 436.537 0.516 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 775704165 UMMBHYJRLRXZKD-INIZCTEOSA-N 427.417 0.921 50 20 ICGD CC1C[C@@H](C(=O)NNC(=O)Cc2ccccn2)[C@H](C(=O)NNC(=O)Cc2ccccn2)C1 775837752 OGTLBPFSDUXVDW-QZTJIDSGSA-N 438.488 0.219 50 20 ICGD C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 775867470 JPNPVGPMHYOFGD-GJWQZFMSSA-N 438.488 0.219 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCC2CN(S(C)(=O)=O)C2)N(C)c2ccccc21 779330723 BMZPWIFSSKLMJT-UHFFFAOYSA-N 431.518 0.665 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COCc2ccccc2)[C@H](C)O)cc1 779518824 HRUCDEUGTAMBTB-HNAYVOBHSA-N 435.502 0.387 50 20 ICGD Cn1cc(-c2nc([C@H]3COCCN3CC(=O)NNC(=O)c3cccc(C#N)c3)no2)cn1 779842083 LKTFCJDEFLVYSX-MRXNPFEDSA-N 436.432 0.176 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCS(=O)(=O)C1 783427390 SHUURSVWURXXHA-LJQANCHMSA-N 428.474 0.557 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783427948 RMZXHZBXGUGLNF-IBGZPJMESA-N 449.489 0.104 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCS(=O)(=O)C1 783428390 VCAYKMRWCNAXKU-QGZVFWFLSA-N 425.898 0.721 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1N1CCNC1=O 787544283 PUKQYKNXBYPCFV-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 789901051 CPCPOKJNNCVWSE-UHFFFAOYSA-N 425.426 0.953 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792237522 LGBMAZRPIDCBMJ-MRXNPFEDSA-N 441.454 0.476 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nn1 793069127 WYGFGDZUODEBQL-UHFFFAOYSA-N 430.421 0.276 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 802063911 SMVSYXBUYSLCAX-UHFFFAOYSA-N 430.442 0.929 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ncncc3F)cc2)CC1 815764345 DMGPSBBTVFAXPF-UHFFFAOYSA-N 429.456 0.404 50 20 ICGD Cn1c(=O)n(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 818685827 SKTHRXAREUAMEJ-UHFFFAOYSA-N 427.373 0.253 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)CC2CC2)c([N+](=O)[O-])c1 819136466 YDVKVJABAVHVTL-UHFFFAOYSA-N 428.467 0.952 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1C 819494350 NEIVOTJUCUTYDE-QGOAFFKASA-N 446.533 0.915 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 915884193 WPEWMIVKKYCDMB-UHFFFAOYSA-N 436.490 0.685 50 20 ICGD CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 917387087 IWFSWUWFIVMYSQ-UHFFFAOYSA-N 428.493 0.868 50 20 ICGD CCN(CCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 918118761 AAJSFHBKINZKNS-UHFFFAOYSA-N 432.499 0.328 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 919970047 MHNPRYCFXBZJFR-UHFFFAOYSA-N 438.466 0.742 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 920051786 TXUNWXPEGFNLFN-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 920255209 VHDUJKIPRYJFSP-GOSISDBHSA-N 434.408 0.611 50 20 ICGD O=C(NNC(=O)c1n[nH]cc1I)c1csc(N2CCOCC2)n1 1342770255 VNBBFPHNTRKTIX-UHFFFAOYSA-N 448.246 0.382 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1777727292 GFGVQKHIWIRUQD-DENIHFKCSA-N 440.309 0.093 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374728 ZIUMWFJKCJMODD-YBOAYWMSSA-N 446.552 0.153 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1780195912 ZUOGORDYSXPCIJ-RDTXWAMCSA-N 443.840 0.352 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781218342 FJKPNYPWCFNRER-ACJLOTCBSA-N 426.857 0.604 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782178613 BNILYFYANLVFOJ-QMTMVMCOSA-N 432.949 0.127 50 20 ICGD C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782358233 FAIUBXCBRBSCNW-NFBKMPQASA-N 426.322 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21)[C@@H](O)CCl 1784091455 URVXSTBIKXVWNW-PYJNHQTQSA-N 433.839 0.436 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784097170 RBVOVTCWVHONSD-QXKUPLGCSA-N 447.960 0.727 50 20 ICGD CC(C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784944228 HWVANGZPYOSDFE-JQFCIGGWSA-N 433.509 0.094 50 20 ICGD C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785076555 SNLHZMWJKWRRGB-QXKUPLGCSA-N 446.976 0.693 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2nc[nH]c12 1787295519 CDWQOLNHFIBGIH-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791057743 OYNNIFPAOODGID-YXWQFLTLSA-N 443.342 0.906 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792554173 WKVPNZGYHBHUOV-PHHZKWSHSA-N 444.536 0.052 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1793369339 DBLVLLNCNOUWGE-GUYIQFIESA-N 429.366 0.493 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1F)C2)c1ccc(B(O)O)cc1 1795736797 KQLCDNKKZKQOPW-VPTLXERWSA-N 444.243 0.091 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740885 LHXWRZJSDWSZQW-REGYPHIPSA-N 426.278 0.041 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796861875 MGQGFZDZUBGURK-YIYPIFLZSA-N 443.533 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 1797342312 CATHNWXPDCIIML-USGNIVHTSA-N 445.495 0.883 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2 1797752938 NBSYPROLNBBWJV-IVWMJMPLSA-N 443.891 0.856 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799350743 MNQZHATZLBAIBQ-MGGJZVGQSA-N 425.449 0.156 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3o1)C2 1801012896 MEYIFCYDBUAAHM-HBCWATKFSA-N 429.477 0.404 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1 1802928780 ONHPPCBWMWQVOA-LVQVYYBASA-N 425.493 0.703 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803612968 SZPFZSVQYGWYFA-SKRQURTPSA-N 439.321 0.488 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)on1 1804260389 GVJWYZNGHANOMW-VGOFRKELSA-N 442.520 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1CCOCC1 1806698180 KXEDJWPLAMUNTJ-PZJWPPBQSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362985 LCURSLANTCPZTR-XXBNENTESA-N 444.300 0.719 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819261937 IMOQFOUHFWWHBM-MYGHRHJXSA-N 446.338 0.554 50 20 ICGD CNc1nsnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822411694 AKECJECOMLWJAP-LBPRGKRZSA-N 449.541 0.982 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824187225 AOZRCLKRHAXOTI-LSDHHAIUSA-N 426.901 0.780 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc[nH]n2)CC1 1824670998 IGOAFEBWWSIHCV-SFHVURJKSA-N 425.493 0.955 50 20 ICGD O=C(CC1(O)CCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059616 DYCYTXYOSYXVHQ-HXUWFJFHSA-N 428.338 0.905 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncon2)CC1 1829501747 VPFQIAUEUGJDLF-MRXNPFEDSA-N 427.465 0.615 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358933 SDFXGWMQRHRUCC-LJQANCHMSA-N 426.901 0.820 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537129 BTXZRSVSRBEEPL-BYQXYHSISA-N 447.326 0.593 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1830538052 UWZHNYQEVFQYFK-BZNIZROVSA-N 447.355 0.826 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1830544080 MXKMASMDGONWQB-QWQRMKEZSA-N 446.342 0.000 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733991 XVCNZNXCPNKVLT-KSSFIOAISA-N 445.831 0.404 50 20 ICGD C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)Oc1ccccc1 1830736015 PNUHFUIHVVTSCW-PLMTUMEDSA-N 440.924 0.900 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830737204 DXHJDHXTOZPPCR-KSVNGYGVSA-N 446.928 0.022 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066437 FWKQAIKHZJDZTI-RVKKMQEKSA-N 432.359 0.711 50 20 ICGD COc1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cn1 1833309401 TZSUZXWJTSKVIG-INIZCTEOSA-N 425.917 0.270 50 20 ICGD CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834814106 XPGKMLYGGGOJAS-JOCHJYFZSA-N 447.536 0.199 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1834819199 KEJBYTQGQPUIOC-KRWDZBQOSA-N 429.267 0.495 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1834824049 RSSUZTMHYMWFAK-SFHVURJKSA-N 426.311 0.866 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939439 QWIQKTKIYSSSFB-UPWIVDSGSA-N 442.321 0.183 50 20 ICGD Cn1ncc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1Cl 1836041387 QCTUGXZUPXYEEG-HNNXBMFYSA-N 432.352 0.858 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836848913 YNASVSGCDINKAT-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318855 CPRQFXFFYIGCKP-IAQYHMDHSA-N 430.807 0.566 50 20 ICGD O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837493681 QZRXAHVAHBSJKW-IBGZPJMESA-N 433.332 0.945 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C(F)F)n1 1838710251 RNYBYPYIWZLQOD-GUYCJALGSA-N 436.843 0.256 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839147216 KHKXNVZLOZTYTG-ABSDTBQOSA-N 430.977 0.096 50 20 ICGD O=C(c1cnccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199636 REDXHBKYYZMKIW-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839962332 BDKLCNHIVBNYNE-YVEFUNNKSA-N 445.314 0.369 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1840153836 BRBXPRRXZJUPEO-KXBFYZLASA-N 427.885 0.419 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cc3ccccn3)C2)C1 1840155625 FUDYJWAGBUCLOT-PLMTUMEDSA-N 439.940 0.970 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840156860 WPDGZEBDEXMONB-KUHUBIRLSA-N 434.917 0.286 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011880 FUDSUXGQOMSHFO-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038281 LWDGSEKUZLSZIX-LJQANCHMSA-N 431.537 0.553 50 20 ICGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccccc1 20817282 YGZVPLUIBAACRZ-UHFFFAOYSA-N 447.469 0.326 50 20 ICGD O=C(Cn1cccnc1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 32663189 UGFPZYPZCFYFJI-UHFFFAOYSA-N 441.469 0.183 50 20 ICGD O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 105477479 QFENBWUCQWUCLN-UHFFFAOYSA-N 436.469 0.379 50 20 ICGD CCc1nc(CN2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cs1 728944533 FLMJHZUREIEBCA-UHFFFAOYSA-N 441.521 0.853 50 20 ICGD CCNC(=O)c1cccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728949696 XPSWTHLTGCBDKH-UHFFFAOYSA-N 425.493 0.973 50 20 ICGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)CC1 732256156 WWHHKIOIDKNJDD-UHFFFAOYSA-N 449.327 0.826 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 735469796 ZVUDSDYEXUUVFC-CQSZACIVSA-N 440.503 0.165 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 743288962 LQCSVSJQHXOGHZ-HNNXBMFYSA-N 432.930 0.542 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)c1 744506263 XIYQLLSYFBGIHV-UHFFFAOYSA-N 430.442 0.231 50 20 ICGD NC(=O)COc1cccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 744619730 WEYQYMDQXCLZHR-UHFFFAOYSA-N 434.474 0.329 50 20 ICGD NC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 747584321 UJCCVCPLOKZMSX-UHFFFAOYSA-N 437.522 0.459 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)nc1 747606185 JBIVDSLMVAXZSZ-UHFFFAOYSA-N 430.895 0.898 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1S(=O)(=O)N(C)C 753565901 MUONEIBZOJSMSM-UHFFFAOYSA-N 443.507 0.206 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 755054438 AEOXPFSRWGCBRR-MNOVXSKESA-N 425.536 0.734 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755248908 YECCUWJYUAJLGS-MGBSGCIJSA-N 426.477 0.895 50 20 ICGD O=C(COC(=O)c1cccnc1Br)NNC(=O)[C@H]1COc2ccccc2O1 756249090 UXVCYWIZBKNBCF-CYBMUJFWSA-N 436.218 0.988 50 20 ICGD Cc1nn(Cc2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)c(C)c1[N+](=O)[O-] 758039296 JGWUHEWGONDFEN-LLVKDONJSA-N 438.466 0.155 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccccn1 758827602 KYPCHHLQCRBCCV-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1c(C)nn(CCS(C)(=O)=O)c1C 763141006 RGMCBCMPGLPPSV-UHFFFAOYSA-N 430.494 0.674 50 20 ICGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cn1 763976737 ZVPZIOBFFWCAJT-UHFFFAOYSA-N 430.421 0.636 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1NS(C)(=O)=O 764169446 WFFVARFOFYEJBN-INIZCTEOSA-N 432.458 0.456 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CCc2ccco2)cccc1C(=O)N1CCOCC1 764169455 OXQLPBYSTYITNM-UHFFFAOYSA-N 428.445 0.779 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764319238 MWUBMRNQBQSFIT-UHFFFAOYSA-N 436.465 0.841 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)COc1cccc(NC(=O)c2ccco2)c1 764345730 UWWCGRXHBXHBHG-UHFFFAOYSA-N 437.412 0.883 50 20 ICGD COc1nccnc1NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 764460897 RWAZPAUAKHUKAO-UHFFFAOYSA-N 436.494 0.329 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1nccn2ccnc12 766659914 JDHLVMGYMNSLMA-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD CCc1[nH]nc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] 768289964 AULFGUUCRLZSDH-UHFFFAOYSA-N 429.481 0.768 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 771903524 QEVDYDHZRLUTEK-BDAKNGLRSA-N 440.250 0.923 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 771931348 YNXFXUGBBRVKOY-SECBINFHSA-N 436.284 0.217 50 20 ICGD O=C(Cn1c(O)nc2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772888403 IMLHJTKIUHLNEM-UHFFFAOYSA-N 429.820 0.219 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 778441175 PMOFUTXVHFBJRC-GDLZYMKVSA-N 427.479 0.628 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c(OC)c1 782118323 WKPUNMGJKLVVEE-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 782896253 DECRVOCJBZTVPT-UHFFFAOYSA-N 432.506 0.754 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCc2nncn2C1 793452020 WKRBJVLNILLCIO-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 795284516 RYVCSYJVFDZGGC-UHFFFAOYSA-N 434.409 0.601 50 20 ICGD O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797016046 HWLKIBTZUUENDZ-UHFFFAOYSA-N 434.434 0.856 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 802574519 QXPVSRDUYZLKDQ-UHFFFAOYSA-N 442.494 0.057 50 20 ICGD O=C(CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1F 807136202 WWMJNRYHWCLPFZ-UHFFFAOYSA-N 434.338 0.662 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)Cc1nc3ccccc3n1C)C2 807514587 YPEBJFKLLFDIRQ-HOTGVXAUSA-N 441.536 0.530 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1 811257596 KUOKSMUDAGZGAJ-UHFFFAOYSA-N 437.474 0.460 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)c1 815565738 YDRWKWUHYWGHDL-UHFFFAOYSA-N 442.436 0.108 50 20 ICGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912920137 VVMPPOXUXFDPOR-QLFBSQMISA-N 426.539 0.778 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C[C@@H](C)O1 912924582 ACSOPHIXKMBFGJ-DFXPUQADSA-N 438.550 0.614 50 20 ICGD CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 915056487 JPADUCKXXWZMOJ-UHFFFAOYSA-N 438.554 0.915 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC[C@]1(N2CCOCC2)CCSC1 916637390 ZCNYOGZIXNKHPK-GOSISDBHSA-N 439.494 0.512 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CN3CCCC3=O)C2)s1 920435609 LBAJVFSVTPTBLW-CYBMUJFWSA-N 428.536 0.227 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1CCOC1)N(S(C)(=O)=O)CC2 921202988 NZZAVFSUKHBLPE-HIFRSBDPSA-N 441.506 0.137 50 20 ICGD CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 1317790963 KTAVOYRGVOXFBV-UHFFFAOYSA-N 429.458 0.770 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNc2nccc(N3CCOCC3)n2)CC1 1319171013 ZVKAJUNWYMCUOL-UHFFFAOYSA-N 436.513 0.094 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780010832 MJKUZTSIBPDPQD-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2)NC(=O)NCc1ccccc1 1780969823 PCOHBLHHBFUPRW-KGVIQGDOSA-N 447.511 0.521 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781223997 GTGYWBYLTRUUJM-WQVCFCJDSA-N 429.366 0.733 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc2c[nH]nc12 1782257106 YKFGIMJAYPBTAG-HSZRJFAPSA-N 448.288 0.308 50 20 ICGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)no1 1782460825 LUYPTVPLUZAXDA-DENIHFKCSA-N 441.293 0.033 50 20 ICGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1783527423 SRNCDKHYGORPDM-RCWTZXSCSA-N 432.344 0.957 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1784652332 QVYSRTVAUIUZQJ-QRQCRPRQSA-N 438.488 0.327 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787612908 LNUJPHIFENHTEU-SYJIGIJGSA-N 427.465 0.137 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788639387 IGKWQKOWFJCYRX-XUXIUFHCSA-N 439.292 0.265 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)nn1 1789105107 JUHVLOBERSIWMU-MNXVOIDGSA-N 427.299 0.862 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789927017 NVKDIDFIHHCUTN-YYFQZIEXSA-N 436.322 0.961 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791057988 UDKBPFBJLFPIBX-NAKRPEOUSA-N 430.259 0.695 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)cc1F 1792649191 WCYBUYMBJHELQD-HBCWATKFSA-N 446.671 0.676 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115145 AZCKJBNCLPZQFT-AICCOOGYSA-N 433.933 0.500 50 20 ICGD Cc1nc2sccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188909 ZVNJVERPYXLXTO-BJWYYQGGSA-N 438.318 0.950 50 20 ICGD O=C(COc1ccccc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190314 NIVWKHZKHCUPNW-BCDXTJNWSA-N 426.253 0.836 50 20 ICGD Cn1nc2c(c1C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3C(=O)c1cnccc1C(=O)NN)CCC2 1798442766 COPYMRIESLSNKG-BTTYYORXSA-N 437.504 0.473 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799367020 TUQGSJCDURNZGI-PFFSRIRZSA-N 447.960 0.869 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799922332 KIMKCUDIGIWQEV-XRGAULLZSA-N 434.880 0.792 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800759046 FFHHLHBJFWSMIG-NRWUCQMLSA-N 425.283 0.393 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1800977858 ZUTWNWPGFBNKNO-WQDJSCAQSA-N 435.908 0.953 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2 1801014159 IWSJTWNHHZBNOH-VLBMKZOESA-N 428.480 0.695 50 20 ICGD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1802572156 AEFPELNKULOGEM-SIKLNZKXSA-N 444.580 0.802 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803827883 QMIKQHDWPBKAJH-UWJYYQICSA-N 441.536 0.816 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)CN(C)C)[C@@H]1c1cccnc1 1806457615 ODNQREJXZHAXAW-QOZRKGCKSA-N 439.520 0.783 50 20 ICGD C[C@](O)(C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C(F)(F)F 1806478938 CNWLVIHWOJVTHP-SFHVURJKSA-N 442.243 0.525 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807193359 WNBOJSDYTFINCC-VBQJREDUSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cscn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369744 UKDRSMKMDBVMLG-QFBILLFUSA-N 436.302 0.851 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371200 QZCVRFJDFHRXJI-FXAWDEMLSA-N 425.294 0.242 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807949996 SAOYKHVZXCKGJO-DVOMOZLQSA-N 444.883 0.545 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnc4ncccn34)CC2)C1 1809978309 AOYMLYLXOVUBFH-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD CCc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1811010525 KPWPGTINFSRVLE-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813321493 LYEUCLAALVJMDI-LAUBAEHRSA-N 442.524 0.142 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)cn1)CC2)c1ccc(B(O)O)cc1 1815339634 KZDWDAXWEPWECX-CQSZACIVSA-N 440.265 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817471719 YGSYCRBPPDULAD-QGZVFWFLSA-N 439.281 0.018 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cncn1 1817474893 IEMAKUVPWUNWQE-GUYCJALGSA-N 437.269 0.248 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccnnc1O 1820053128 YJSNSLQQXLFWFP-INIZCTEOSA-N 436.237 0.205 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1 1822413217 OQMQTMMCSGAJNN-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1 1822414023 KVOARAPDNHBJJC-LBPRGKRZSA-N 447.456 0.720 50 20 ICGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](F)Br)sc3C2)CC1 1823008585 VGZGTLYRPSEICU-IINYFYTJSA-N 448.362 0.993 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nc1)CC2 1826088639 HPBQBTQMFOUYNE-LBPRGKRZSA-N 432.506 0.843 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053100 VRDKATFLQXIPKE-IERDGZPVSA-N 443.353 0.467 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923330 DVEZBDOBUISHOO-OXJNMPFZSA-N 441.532 0.957 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830539842 JMRBCKMZQNXUBC-BDJLRTHQSA-N 431.287 0.216 50 20 ICGD CN(C)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830732566 SXIUSPMWTIPVJF-FXAWDEMLSA-N 425.913 0.422 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831639870 FXCKRYGDPLQDAV-CRAIPNDOSA-N 443.888 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSCC(=O)O)CC1 1831886337 KAHDWBQGTUYHQH-INIZCTEOSA-N 442.582 0.797 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1832207615 IGDRBLPCYZCGID-FUHWJXTLSA-N 433.557 0.832 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1832818071 KTYINCVMADXPCT-AVCMKVNGSA-N 428.294 0.631 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833438660 BYMNRASOQHOJKB-KUHUBIRLSA-N 428.917 0.906 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834309253 QTQHNGCAWBQNSO-WMLDXEAASA-N 427.299 0.720 50 20 ICGD Cc1occc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800972 FJTRAMJLMXIPLL-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1834822969 BFHLCJUDICFMRM-NNFUDEMPSA-N 444.370 0.568 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835680605 MXILDUBOOIPUTD-SUMWQHHRSA-N 449.321 0.415 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836418946 IVEQICHAFAHABZ-CJNGLKHVSA-N 448.245 0.253 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837590213 COFFWEADXGFWHX-QAPCUYQASA-N 443.342 0.891 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838534532 ORAARAIGIXDHSG-PBHICJAKSA-N 446.273 0.146 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838674598 NLEXBZZNIBNKQF-DNVCBOLYSA-N 427.885 0.419 50 20 ICGD Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc2n1 1839503870 YKZCYYLIWWMSFV-XLIONFOSSA-N 436.896 0.243 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840151529 FPXNFHODAHFGFK-ABSDTBQOSA-N 440.928 0.182 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840154883 JBLQQSQMKWLEAL-JLTOFOAXSA-N 436.896 0.887 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)C 1840188493 MSNSFHVBPLLYBH-GUYCJALGSA-N 425.309 0.834 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359830 QAXLIJRZQZCKDR-RHSMWYFYSA-N 444.330 0.298 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)COc2cccc(N(C)C)c2)C1 1841909127 HSNXYNAZHCIYPT-UHFFFAOYSA-N 431.537 0.708 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1845748612 AMAJBKIVBRFQEL-GOSISDBHSA-N 444.580 0.876 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1846270355 LLUIVPYGOUKVKC-CQSZACIVSA-N 425.530 0.476 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c([N+](=O)[O-])cc1O 1846385358 VTBXDHLBGRVHGN-UHFFFAOYSA-N 449.464 0.499 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848228320 DPYQFJCTUFOXIE-ROUUACIJSA-N 426.477 0.738 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 12702457 GRALDIUEQQKQHO-UHFFFAOYSA-N 445.567 0.111 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)n(C)c1=O 16224288 VZFVMFDGQGXFGD-UHFFFAOYSA-N 439.259 0.592 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 17580763 OLHHVMRPUKOBDT-UHFFFAOYSA-N 443.485 0.975 50 20 ICGD O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 104573306 CPYDMVKHNCTWMW-INIZCTEOSA-N 431.357 0.504 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)c3ccco3)cc(C3CC3)nc21 725741284 NJNKEUGODQVRHU-UHFFFAOYSA-N 440.416 0.178 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 729230688 PGLLCBAEKQBSBH-UHFFFAOYSA-N 439.520 0.994 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccccc2OC)c(C(=O)OC)s1 731493840 NHZDASCDRVULAC-UHFFFAOYSA-N 428.444 0.953 50 20 ICGD O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 732307820 NROJZLKRKXOKKY-MSOLQXFVSA-N 429.498 0.610 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCc3ccc(O)cc3)nc2)CC1 735760909 FCRNQRQYONPKIR-UHFFFAOYSA-N 448.549 0.982 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742479680 CAJMKEIFULYJJR-DTDBQYNISA-N 431.445 0.407 50 20 ICGD COc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)n1 746628279 ZOAKVADKRXPYFA-UHFFFAOYSA-N 425.467 0.623 50 20 ICGD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1Cc2ccccc2O1 754171343 VIDJDRPBFPVJAH-INIZCTEOSA-N 434.430 0.703 50 20 ICGD Cc1ccnc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 755847029 KUJNUTHBQHWHDC-HNNXBMFYSA-N 426.520 0.615 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)c2ccccc2c1=O 756269837 ROBJQADPGLCBRK-UHFFFAOYSA-N 429.458 0.945 50 20 ICGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 756392423 OXVVLBGUNISQGM-INIZCTEOSA-N 427.417 0.285 50 20 ICGD CCN(CC(=O)NC)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 756992769 UWFJJCJUZPNIGH-WJDWOHSUSA-N 438.488 0.936 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757631734 RABACINXMHFIFA-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)Nc3ccccn3)CC2)cc1 758839321 CPEHDCNXYFCTBS-UHFFFAOYSA-N 445.501 0.577 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)o1 760421380 WWTMYWCVSDXGBH-OAHLLOKOSA-N 436.490 0.578 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cc21 763678340 DDEDSZYSNOLJNH-UHFFFAOYSA-N 429.408 0.987 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1S(=O)(=O)N1CCCCC1 763816351 GABJAIORMNCXNC-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 763824987 SWKJTEDKNGCRLR-HJWRWDBZSA-N 435.484 0.911 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763840421 LGEVEODHVIBRKW-UHFFFAOYSA-N 437.391 0.751 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1F 763872815 PAIUTLDQOWYGRJ-SNVBAGLBSA-N 445.386 0.802 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 764204988 WSFYAYJMHXBARW-ZDUSSCGKSA-N 445.398 0.470 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)n2)cc1 764363301 MWQUNOXUHOOWNP-UHFFFAOYSA-N 433.428 0.501 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1 764371295 JTBKPVNCSNBRMO-NSHDSACASA-N 438.462 0.301 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 764388469 SMAZPESHKVGVLI-HNNXBMFYSA-N 441.423 0.991 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)c1 764411371 WAIAIHHMKPPAHL-UHFFFAOYSA-N 432.792 0.665 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 764565212 ZMPZEDBONPRJKL-STQMWFEESA-N 434.449 0.979 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 769737506 HOLWPARZZLXXQD-UHFFFAOYSA-N 444.263 0.637 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=S)NCCSC)C1=O 769765047 JCVYADQDIDWUKX-QGZVFWFLSA-N 425.536 0.321 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)nc1C 778424826 BVRTVZNDXIMZER-NRFANRHFSA-N 438.444 0.798 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440318 DYKZHKDQUFUBAI-YUNKPMOVSA-N 439.513 0.795 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)c2)CC1 782116848 HJNYZHHOOLOIJU-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1[N+](=O)[O-] 782898048 XXEAKEYFZDCHMC-UHFFFAOYSA-N 448.461 0.904 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(OC)c1OC 785068624 XVIHEVCKUVIFEM-UHFFFAOYSA-N 427.417 0.689 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 786687345 KQALYSYOTKJEEX-CQSZACIVSA-N 427.461 0.645 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)n2)CC1 787540970 HNUVVBGHGHIVLQ-UHFFFAOYSA-N 439.520 0.689 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cc1OC 789729785 ILLPLZHMJKHSCA-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789810332 MWRFDMHAVNVJIK-WMZOPIPTSA-N 426.429 0.209 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnc(C)c3)CC2)cc1 789989433 CNZRJXMOOMUDKT-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nnnn1C1CC1 790714717 LEWJVUALFHCFIU-LBPRGKRZSA-N 448.509 0.498 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc(-n2cccn2)c1 792352191 DQNIFITXTDYBPB-UHFFFAOYSA-N 434.412 0.917 50 20 ICGD O=C(COC(=O)C1CCC(NC(=O)C2CC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 795957186 OYQGJXNOEIFRAB-UHFFFAOYSA-N 432.433 0.984 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1F 796992111 MTYHEXZLXBTDKL-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD O=C(NCCCCN1CCN(c2ncccn2)CC1)NNc1ccc(-n2ccnc2)nn1 805070068 QBTSVEHOOYMCAS-UHFFFAOYSA-N 437.512 0.681 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1C 810970784 OLXWNHQXMIPMDN-UHFFFAOYSA-N 428.511 0.644 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 812728823 AVKXOGSXDVWGCM-UHFFFAOYSA-N 443.485 0.652 50 20 ICGD COC(=O)c1cc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1C 816687152 PQDAOGPSKYVGHC-UHFFFAOYSA-N 446.485 0.659 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 817055041 JIKYRQFLDGPZRB-INIZCTEOSA-N 448.480 0.639 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccoc2)c1 916726571 NXHMRTKGEJQWRF-ZDUSSCGKSA-N 436.490 0.890 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3)cc2S1(=O)=O 916743882 VNLNCISTWRYRDV-UHFFFAOYSA-N 447.469 0.626 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)c1nc2ncc(Br)cn2n1 919805765 NKOJKZLEWFGNPK-UHFFFAOYSA-N 429.194 0.610 50 20 ICGD O=C(NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)N[C@H]1CCS(=O)(=O)C1 919883200 BEEZELLRSMUJIB-ZDUSSCGKSA-N 442.453 0.618 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 920934917 LUGCASYWOZTPQM-UHFFFAOYSA-N 445.457 0.608 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2)c1)c1csc(N2CCOCC2)n1 921017380 LSMGOPWCKGHESB-UHFFFAOYSA-N 434.503 0.789 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 1318727264 KPFBBZNFBZCWPD-UHFFFAOYSA-N 429.451 0.811 50 20 ICGD O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1781486446 KTSHOMXFOGZIFO-ISTRZQFTSA-N 445.289 0.448 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487981 QWJHDXTUCGLRAI-SPYBWZPUSA-N 426.901 0.011 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781654883 QHFFHSSMCPIXBQ-FRQCXROJSA-N 446.642 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1783934902 KJLCHASQUXPANS-QGZVFWFLSA-N 429.930 0.613 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1783935635 XBJJZEHHZGQFAB-IBGZPJMESA-N 436.538 0.232 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)n1 1783946409 NXSQABSQNVOBDE-SFHVURJKSA-N 431.320 0.920 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@H](O)CCl)cc2)CCC1)c1cc(=O)n2[nH]cnc2n1 1786133776 VCNBKBWICJDDKM-CQSZACIVSA-N 430.852 0.765 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980225 XIWANQWMWURSAB-BPUTZDHNSA-N 432.282 0.474 50 20 ICGD Cc1cccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786982113 MXISFTXXKGAEAQ-MDZUNIRRSA-N 449.316 0.377 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788565792 QSOWNNPWWWVMBS-QMVSFRDZSA-N 433.347 0.457 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794357802 RYLLHXZGJIJQTB-OHTBPHCPSA-N 428.283 0.320 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795616023 USCOEHSMOUTUGC-AKIOZOGOSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(O)c(O)c(Cl)c1 1796192953 FFMWVMXZHNBPFG-MUJYYYPQSA-N 444.680 0.997 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnn2cccnc12 1797368994 LLNZOKHPGOUHHF-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC=CCC1 1797753913 AVSJPZBWWZTCTH-WHZNHKCRSA-N 427.505 0.635 50 20 ICGD O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1798095229 HPDSCQHBDXIDDO-WDAIWFPHSA-N 427.255 0.163 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)nn1)C2 1798440050 WNYJYXCHVQCJLW-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012148 IGCZOFMQKIHYTB-UYZIEWPDSA-N 430.549 0.828 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802595951 GUSGTOMCEFNBTG-IEBWSBKVSA-N 425.294 0.506 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cncnc2)[C@H]1c1cccnc1 1805790996 OBHRHMHRNNRVST-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192755 CBQUNUMDYCNTKH-DFHZNHDVSA-N 444.363 0.917 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364625 SVZVSLFFFMJCPC-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1808631253 LPUHNOJDYSXAED-CGTJXYLNSA-N 435.912 0.844 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810648137 SOWGWCPIDOJESR-WIYYLYMNSA-N 447.304 0.735 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073653 NBKNLGJXFCAKIQ-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073693 NVOOROOZEIKBFG-QLVMHMETSA-N 444.536 0.151 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@@]1(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348316 KLPBTJQCGRTSCN-SOZUMNATSA-N 437.689 0.973 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473991 JRYQPMVBIZBUOJ-KDOFPFPSSA-N 426.282 0.987 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)no1 1817475928 VICGWLRRKORCPM-SFHVURJKSA-N 437.265 0.935 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnc2)[nH]n1 1819402127 OQKOZRHRJBQPGB-INIZCTEOSA-N 437.464 0.611 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1822439162 BGERJEHXXPVMHN-GJZGRUSLSA-N 440.570 0.889 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)CC1 1824186628 PEXBWYMBQNLVMT-RTBURBONSA-N 442.988 0.370 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCBr)CC2)N1 1826353297 VCHSSLLZZHXZRZ-KBPBESRZSA-N 443.342 0.989 50 20 ICGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724728 AZQPXKAZEQGWHM-UZLBHIALSA-N 441.912 0.079 50 20 ICGD O=C(c1cccc2cccnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728025 NEWXOGIXSZQOAI-UWJYYQICSA-N 433.892 0.905 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831197346 MQPSAHLCBZHPPF-SFHVURJKSA-N 448.358 0.534 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(=O)n2O)CC1 1831872223 ROHKSCPBDVLSFE-KRWDZBQOSA-N 447.536 0.692 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1833865477 VHGLINIMGFPEFZ-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836656172 YJFWEINSGCOMJO-DJPFJPOOSA-N 438.908 0.700 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)CC)C3)C2)nn1 1838831653 XXRRASSAFBJPLM-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839063814 XZCWWVPCRURXKU-JTDSTZFVSA-N 446.386 0.816 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)CC2)CC1 1839108150 AGPIEVAQYOAAAQ-GOSISDBHSA-N 449.379 0.027 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200436 KSTDYECHRGLCHL-WMLDXEAASA-N 445.289 0.590 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840034219 FBCGFHULLIBFJE-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1844378748 CAMZHHYZNJDKRQ-UHFFFAOYSA-N 436.610 0.946 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845501605 GTRONTPVEGOTHK-UHFFFAOYSA-N 445.863 0.881 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)cc1 9889512 GEVUJVUIGHYMIE-UHFFFAOYSA-N 430.486 0.860 50 20 ICGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 10889642 NMLBKBDDQPAWGY-UHFFFAOYSA-N 446.894 0.434 50 20 ICGD O=C(NN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 28807358 SBHHOYYAJOIDEH-KWWJGWKXSA-N 426.454 0.665 50 20 ICGD C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216353 XMVALGUULFEZRQ-AWEZNQCLSA-N 435.506 0.477 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1C 734256119 KXMKIWJKHDPYPP-UHFFFAOYSA-N 435.448 0.907 50 20 ICGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 736540247 WKVFZKBWNXQNJS-UHFFFAOYSA-N 435.487 0.512 50 20 ICGD O=C(COC(=O)CCc1nc(-c2ccoc2)no1)NNC(=O)[C@@H]1COc2ccccc2O1 740286924 ZUQVLIKYIWDXAR-HNNXBMFYSA-N 442.384 0.793 50 20 ICGD Cc1ncsc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1scnc1C)N1CCOCC1 743441873 PZBPRMQLCWKSAX-AWEZNQCLSA-N 449.562 0.908 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744383952 AFBVCIXFPBKWSD-ROUUACIJSA-N 440.548 0.441 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 744552562 XGLJGEASOMKBGO-SPLOXXLWSA-N 430.461 0.800 50 20 ICGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 745280407 WTNJBGRLDFMUQH-KPZWWZAWSA-N 430.461 0.746 50 20 ICGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)c1cc(F)ccc1Br 745855676 YLSAPSLUHDSNRD-UHFFFAOYSA-N 426.264 0.593 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1F 746545926 ZNFHNYMZPHBZTF-UHFFFAOYSA-N 431.449 0.941 50 20 ICGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 747849055 ULRAKGULHNVZDG-UHFFFAOYSA-N 441.473 0.585 50 20 ICGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1=O 751048353 FWCRQQLUQGPHMB-UHFFFAOYSA-N 428.537 0.735 50 20 ICGD O=C(NNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 751363415 VOXHJROACJYNHK-WMLDXEAASA-N 448.467 0.959 50 20 ICGD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 755081426 HXGJXMKCYQQBQZ-LBPRGKRZSA-N 441.330 0.760 50 20 ICGD Cc1cccc([C@H](CC(=O)N2CCN(S(=O)(=O)CBr)CC2)NC(N)=O)c1 758512585 OAXCNJQIFBXFMW-AWEZNQCLSA-N 447.355 0.921 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 759579848 LZNUZTWEARBSEU-UHFFFAOYSA-N 447.461 0.439 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2nnc(C)s2)cc1 760143479 VYUOEJMMEWLESE-LLVKDONJSA-N 426.524 0.867 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 763446880 XYQXZVDALFNTBF-HNNXBMFYSA-N 428.357 0.323 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1cccnc1-n1cncn1 763638956 FLQFTTBSAALOQK-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n(-c2ccccc2)n1 763790594 KMCGAFRTUYSPTP-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764153605 MIPOTKZVSCRTIJ-SFHVURJKSA-N 440.456 0.877 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Br 764226313 HRRCLUBKLAIGAR-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764263801 LOLIBTCYDHJYRC-UHFFFAOYSA-N 433.490 0.952 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)C1 764285357 BHEDOBUQNRKKIE-OKILXGFUSA-N 426.477 0.856 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764366595 NPFLGNKSLDXNLI-UHFFFAOYSA-N 441.473 0.687 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 765404143 BIRYFNZBFRGSGC-PXLXIMEGSA-N 439.494 0.995 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNc2ccc(OC)cc2)c1=O 768159659 PMIPABTXRQHTJT-UHFFFAOYSA-N 425.445 0.451 50 20 ICGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 770447150 XXNRSRORRMRRNN-GOSISDBHSA-N 439.582 0.310 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771606821 YAHZTWBDOGINTC-UHFFFAOYSA-N 425.850 0.753 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 772208810 WXPSMERTYWHWNY-YUNKPMOVSA-N 434.449 0.260 50 20 ICGD Cc1cc(S(=O)(=O)NCCNC(=O)NNc2nc(O)c3cnn(C)c3n2)c(C)s1 772622438 CKSFHSWKURYCBX-UHFFFAOYSA-N 440.511 0.352 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)C1 773418384 UAAWPHRBEXIPAG-JTQLQIEISA-N 432.524 0.804 50 20 ICGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C2CC2)c1 776293467 JBWCNPPXRCSIAU-MZMPZRCHSA-N 435.502 0.329 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 776721870 ZJOBSGYZJQPIEH-UHFFFAOYSA-N 425.488 0.542 50 20 ICGD Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967210 SWIAYJOCPDBNEN-UHFFFAOYSA-N 435.440 0.810 50 20 ICGD O=C(COC(=O)c1coc(C2CCOCC2)n1)NNC(=O)[C@H]1COc2ccccc2O1 786715568 APWDWRDGEUAMAQ-MRXNPFEDSA-N 431.401 0.713 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)ccc2[nH]1 792352737 IHGRAJIRYIQSIQ-UHFFFAOYSA-N 434.412 0.564 50 20 ICGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 794862623 AWNRTSKOWZIABN-UHFFFAOYSA-N 429.432 0.630 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCC(C(=O)NNC(=O)N3CCN(C)CC3)CC2)c1 807382515 FLVYFQOIVMNHHA-UHFFFAOYSA-N 433.509 0.544 50 20 ICGD O=C(NN=Cc1cn(-c2ccccc2Br)nn1)N[C@H]1CCS(=O)(=O)C1 811640761 YLUGOHGUIVTEEK-JTQLQIEISA-N 427.284 0.850 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C)cc3O)c2)nn1 812979172 KJZSUCAIXSIQQI-UHFFFAOYSA-N 438.400 0.468 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)Cc1ccccc1S(N)(=O)=O 814654791 OVBZPMSWDZDCRZ-UHFFFAOYSA-N 440.909 0.889 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 815563919 RRNXUMSAUXNMRZ-UHFFFAOYSA-N 430.373 0.928 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc1 815854420 BRJMLMSFVQTWPA-UHFFFAOYSA-N 447.517 0.951 50 20 ICGD COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 913228738 BUPSFGHHOCNRGR-WQJNHMDYSA-N 447.513 0.477 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 915141517 UIIRDSKXIOBDDQ-HOTGVXAUSA-N 429.564 0.580 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cccc(F)c3)CC2)cc1 917195394 HJSQVBUYPPAZFT-UHFFFAOYSA-N 448.520 0.831 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 917731887 OSZDQXMFTAXMCI-UHFFFAOYSA-N 435.458 0.726 50 20 ICGD CCOc1c(Br)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 919743092 BEZQCHSLOKHDGC-QMMMGPOBSA-N 438.300 0.555 50 20 ICGD O=C(NCCN1C(=O)COc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 1255218793 WUUGXGPAWRGFKE-UHFFFAOYSA-N 446.489 0.349 50 20 ICGD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NNc3nccc(N4CCOCC4)n3)cc2)C1 1319170626 XIALNUOGCUNKNG-MRXNPFEDSA-N 425.493 0.772 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1 1336358078 GMPZCZRQIJZJGD-GFCCVEGCSA-N 426.520 0.594 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1353486663 ORFRHJRVGJCWRD-OLZOCXBDSA-N 439.465 0.713 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577292 IKEUPMIIKQJOIV-JLTOFOAXSA-N 437.880 0.715 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529033 WVOGRLLQMDOIIO-HWPZZCPQSA-N 427.255 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)CCC1 1786763635 GGGZCRLCNXQXQB-OAHLLOKOSA-N 444.492 0.092 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791055599 ZAZYZNODNJTEIM-RFGFWPKPSA-N 442.310 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21 1791287927 DRFIABKZYYVXJC-NOLJZWGESA-N 439.463 0.326 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)C(C)(C)C 1793198173 SWHWSYGFHAJFML-CYGHRXIMSA-N 427.618 0.978 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1793446713 KCCPHSCXJFEHHC-WJNVRWDZSA-N 444.941 0.449 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794037417 NEHKKARNUQVYFL-UESRRSCYSA-N 445.347 0.961 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270712 LDADSPBYMWLSLB-KQXIARHKSA-N 425.283 0.167 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(C)(C)C)c1 1794307288 SMYXPNPSWUAHHS-CWPLJXCYSA-N 433.553 0.888 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1F 1795488917 OCNUWPYYOXOAAF-WMEBDMIVSA-N 448.850 0.785 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccs1 1795740923 PWWHORHHVYGZQR-AMVTXUCVSA-N 428.319 0.435 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796344272 YLNXPPAZXMQFGD-GUDRVLHUSA-N 429.271 0.122 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797754254 OMPVXHHNMHIRIV-MOSFQMPWSA-N 429.521 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cncn3c1)C2 1798440625 UCPQRVXVMJTXGZ-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnc(F)c1 1803842365 ZSMHQDQXIQDJAW-WIYYLYMNSA-N 448.263 0.929 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1804853511 GROLVLRYOMSVJA-FPLPWBNLSA-N 439.321 0.070 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806772066 OTEDEJMPSKQAPN-CORIIIEPSA-N 432.340 0.915 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369900 YNVFHUTUBAFQRS-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808246762 OYIDIZBHKYFKCP-UWJYYQICSA-N 433.277 0.047 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817262943 AMPBMMPIWKTNOR-IRWQIABSSA-N 427.314 0.769 50 20 ICGD Nc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)s1 1817413712 RQZWOPILEITISF-AWEZNQCLSA-N 440.294 0.748 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475575 UPEMBWXAKDPFJX-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD CNCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401834 BRUWRFXZERWLNQ-MRXNPFEDSA-N 428.497 0.714 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794788 CXKVGSHOOLUWMZ-XMZIXOGTSA-N 445.549 0.741 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cnc[nH]1)CC2 1819797710 YLDZEHKSZYEFQG-JTQLQIEISA-N 440.489 0.333 50 20 ICGD CC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822841951 YNWKGYBJGWJQEU-NEPJUHHUSA-N 448.998 0.803 50 20 ICGD O=C([C@@H](F)Br)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903183 FALPJUBTNCLQLK-IUODEOHRSA-N 447.305 0.848 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1830364388 IHHMYEXQJQYUCO-IBGZPJMESA-N 440.884 0.510 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1830545239 ILXLTLOQYRWXBV-RNYZBBNUSA-N 441.326 0.910 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720192 VAKUREBYJQQRMX-QFBILLFUSA-N 447.315 0.775 50 20 ICGD C[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)Oc1ccccc1 1830736014 PNUHFUIHVVTSCW-MMOPVJDHSA-N 440.924 0.900 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830737213 DXHJDHXTOZPPCR-ROYATCLZSA-N 446.928 0.022 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306161 KTSFTPGJBLKPQT-LIMHQNJXSA-N 426.945 0.016 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675779 XAMZABFMOOXAGL-LBPRGKRZSA-N 431.379 0.072 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1CC1(F)F 1835447702 UVBUZYWVFGDJBD-GOSISDBHSA-N 435.280 0.207 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835699249 ZPBGQRZZTYTFRT-GFCCVEGCSA-N 442.358 0.465 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789674 QCGWQXIPJAQITB-BZNIZROVSA-N 447.355 0.826 50 20 ICGD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836913008 OQXWINBDXLYJSL-INIZCTEOSA-N 432.326 0.261 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837045233 QRJQPDKRPIFMEM-DYVFJYSZSA-N 428.898 0.066 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837246630 HRHUOBXQHZFSEI-KKHYBRAUSA-N 427.929 0.543 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565159 MWELLLWJZUDEBJ-UGWGGBLTSA-N 442.310 0.938 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C1(O)CCC1 1837709152 WGKCEVFHMMHPSQ-LPHOPBHVSA-N 428.602 0.845 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838089182 UKKSVVQUEFVDKW-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840030974 BOYYVNRAUNATNX-BZNIZROVSA-N 447.717 0.983 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840032477 ZOCGOTJYWVCOST-SJKOYZFVSA-N 429.267 0.493 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271870 SECWOPJABKUCAS-ADAWSYLGSA-N 433.343 0.777 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013059 DNNYGGWWQNYLLA-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@@H](C)CBr)C3)CC1 1843972369 HAXHCMXFIQUCKK-AWEZNQCLSA-N 429.359 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1846384851 RMXOTUMFWHFRIF-UHFFFAOYSA-N 444.536 0.108 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563230 HTPGDRBRSZEYRO-XDQVBPFNSA-N 447.916 0.244 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847567711 BUTUKBGTGNRTOL-XSLAGTTESA-N 425.888 0.674 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847567975 IDPCRXUUYDYPGO-FQUUOJAGSA-N 447.916 0.244 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cccc(N(C)C)c1 14046520 OGGQYQAPQYPGPT-UHFFFAOYSA-N 428.493 0.375 50 20 ICGD Cn1c(CCC(=O)NNC(=O)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 26967596 VVGSHAUHHFMVJJ-UHFFFAOYSA-N 435.506 0.084 50 20 ICGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CNC(=O)c1ccco1 729358569 GHUCZWDSROCDNG-UHFFFAOYSA-N 427.417 0.682 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 730033989 JPGIJFNYAZLLPL-UHFFFAOYSA-N 449.485 0.612 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731761296 DCTZHWFUUUXXNX-CYBMUJFWSA-N 430.502 0.432 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732342623 VRFOUFJJXQITSV-CYBMUJFWSA-N 438.462 0.847 50 20 ICGD CC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)=NN1c1ccccc1 733540094 QEROCVCPJNCLOV-INIZCTEOSA-N 443.485 0.909 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742471119 OIJGHEKMVXEXLT-RGCFKVTRSA-N 431.445 0.164 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)c1 744385185 WAINRUNAGPUILO-UHFFFAOYSA-N 426.521 0.339 50 20 ICGD CCOC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)nc1 744386197 GBFKGWXFNJEKMS-UHFFFAOYSA-N 436.472 0.713 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 746386979 ZHTSRVLPSDGVQH-KRWDZBQOSA-N 448.520 0.426 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 749564286 XCDAWISHSVOTIF-CYBMUJFWSA-N 425.283 0.726 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)n[nH]2)cc1 754422856 GOYPCOUSUOKGQT-UHFFFAOYSA-N 441.469 0.719 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)c1=O 757863900 VIRZEHUEQSCABA-UHFFFAOYSA-N 434.416 0.284 50 20 ICGD Cn1nc(Br)cc1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 760393548 NMOWQOYIXLSWBS-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD C[C@H](CC(=O)NNC(=O)COc1ccccc1O)NS(=O)(=O)c1cccnc1Cl 760552523 SRPNSUHJJVGIND-LLVKDONJSA-N 442.881 0.724 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 762410468 WUMWCGQPMPQTHK-AFSBEHQUSA-N 433.486 0.486 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 763601234 JGQVHLHWJBHTEM-UHFFFAOYSA-N 444.492 0.568 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 763882342 NMGJVEUTHQQBSK-UHFFFAOYSA-N 429.477 0.632 50 20 ICGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001848 FZGTUHBYHDYALZ-LBPRGKRZSA-N 425.463 0.117 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 764084822 WMEUTRJOXRVGIQ-GFCCVEGCSA-N 428.511 0.856 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Br 764229610 BHTDYTXGPMVGGA-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764314543 YPGYGHZVXFUCTB-AWEZNQCLSA-N 426.404 0.360 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 764316661 CNBLLCMRAJNCQX-UHFFFAOYSA-N 440.522 0.762 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 764317502 JFSCKKDXEKZHKL-UHFFFAOYSA-N 440.504 0.526 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccc(C(C)(C)C)cc2)n(C)c1=O 765731404 RIKOTUHBBXHNHS-FLIBITNWSA-N 438.488 0.592 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)n[nH]1 767120882 XESHGBAFDTZCKO-UHFFFAOYSA-N 446.464 0.487 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768243378 VDQCLSHGCRKZBB-UHFFFAOYSA-N 448.439 0.823 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 768569560 DGBFMMAPGUCLTN-NRFANRHFSA-N 426.477 0.915 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC)nc2)cc1C 770465932 XNYHXBCKCFLAJS-UHFFFAOYSA-N 440.503 0.540 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1CCCS1(=O)=O 773184680 ZLOPUGSHPLMTJW-HNNXBMFYSA-N 431.898 0.704 50 20 ICGD Cn1cnc(-c2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)n1 780280712 ZNTODYCYMAKANG-QGZVFWFLSA-N 437.412 0.626 50 20 ICGD O=C(NNc1ncncc1Cl)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 782165353 FDVONCGWFCZZNR-HNNXBMFYSA-N 446.851 0.226 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 782897565 QVAOHDBSNCVKJJ-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967579 UIJWNPRIXLKMAY-UHFFFAOYSA-N 433.646 0.476 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 784005055 YFSZLLHFRAMHTL-UHFFFAOYSA-N 431.796 0.030 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NCc2ccccc2)cc1[C@@]1(C)NC(=O)NC1=O 786732426 QRASOAXQIYXLRG-LJQANCHMSA-N 447.473 0.443 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)o1 788915900 MLKYZCDGNGIULC-UHFFFAOYSA-N 446.482 0.864 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1C(N)=O 789731868 NLVRTVPMFJXBOI-UHFFFAOYSA-N 442.428 0.744 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 790382278 RZIPCJRUXUXAJO-UHFFFAOYSA-N 439.515 0.639 50 20 ICGD CC(C)[C@@H](NCC(=O)NNC(=O)c1cccs1)C(=O)N(C)Cc1nnc2n1CCC2 791624081 KVXSFZVARRZYKC-QGZVFWFLSA-N 433.538 0.320 50 20 ICGD Cn1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc2ccccc2c1=O 794778849 BYSOPTPIWJNJGF-UHFFFAOYSA-N 434.861 0.914 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 798314371 IUROWJLNUGOHLD-LJLILKBBSA-N 427.383 0.682 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1 799257909 VUNVJAJKMYXUSK-UHFFFAOYSA-N 428.401 0.215 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2CCN(CC(F)F)CC2)CC1 806873198 UKCMBPTUQJQBHW-UHFFFAOYSA-N 446.524 0.438 50 20 ICGD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806978346 XJGOIVLNMDDPLL-AWEZNQCLSA-N 439.538 0.399 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)n1 807237130 LVRVXUTWFJXIDE-UHFFFAOYSA-N 433.849 0.757 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 812731920 NKBWROZERVQQRU-UHFFFAOYSA-N 428.492 0.771 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 815691039 CZWBFBWDMUYRLM-HUUCEWRRSA-N 442.476 0.575 50 20 ICGD CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)CC1 815691760 ALLANPHAKAOJLW-HNNXBMFYSA-N 425.493 0.863 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(Br)cc1F 815779168 USFDOWKGRDSGAU-LLVKDONJSA-N 432.202 0.640 50 20 ICGD COCCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916628381 LVZOVGBNZCCDRZ-UHFFFAOYSA-N 428.511 0.468 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1nc2ccccn2c1=O 1317789970 QXGMGWZYBMLKEU-LLVKDONJSA-N 434.250 0.873 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777709567 BKTGIRWPEXQRLX-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnoc1)C2 1779373514 XSYZELKUMGBPRV-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1781092597 FMYFSHCFRQXCJG-YLJYHZDGSA-N 426.634 0.304 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1781230352 RGTNHJZRXRXADM-RTBURBONSA-N 449.379 0.217 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1783877137 GIZBRHWNAUVCTC-JLTOFOAXSA-N 435.864 0.519 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1784321699 LHHJVCAVBSAJOT-OAQYLSRUSA-N 434.541 0.093 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3CCCC3)[C@H]2C1 1786317027 IBDCVCJSLMTMIM-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21 1787508183 NJQWXDQSYVRQLI-SMKMMKTPSA-N 445.520 0.405 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cs1 1788610641 NSPUGQFEFWVRAQ-NUTKFTJISA-N 444.517 0.357 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21)[C@H](F)Br 1789926569 CGDBZTVKMNITOE-ASHKBJFXSA-N 431.262 0.526 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584317 LFVGMFIMUXLBAG-XUXIUFHCSA-N 427.299 0.006 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(O)nn1)C2 1796889998 SJQIINPIVRWCMD-ONMDDFKGSA-N 425.449 0.568 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797146661 RMAURSSGJAHQAR-DERJNBNXSA-N 445.944 0.479 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797759949 QSHOZPYNOUFIAA-OPDFLTKYSA-N 435.388 0.234 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1798551150 NZXZWSJFESPIOR-HNRZYHPDSA-N 442.289 0.924 50 20 ICGD Cn1cc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)ccc2n1 1800905440 KRTGBQOVDCMFIG-ACDBMABISA-N 432.289 0.819 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(OC)c1O)C2 1800977489 RNUYQRGXGOWXFC-FAXLKDOZSA-N 442.896 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccoc3C1)C2 1801010743 TVJSBZFXCYPDBO-PZTGFMGMSA-N 432.521 0.347 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1801835156 ZXPOZVCJIWTOFN-BJWYYQGGSA-N 431.298 0.143 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801969865 PXJRWLSPHGVSLX-HLPPOEQASA-N 426.901 0.254 50 20 ICGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803002689 XXEUFXJXZQMWLS-FHLIZLRMSA-N 426.477 0.171 50 20 ICGD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804648549 NPTOPJOLSYCJBK-SIKLNZKXSA-N 445.288 0.114 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810179105 UQOQAGRQIRJJLI-SGMGOOAPSA-N 437.802 0.793 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1813030106 DQCQERJXPVYNMR-AEGPPILISA-N 435.868 0.856 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815581115 GYVAOQKLVGYRGC-GOSISDBHSA-N 441.297 0.264 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817473906 GOQLYCCGOJEADD-GOSISDBHSA-N 436.281 0.751 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817639751 RSMVVIPNXPQVEB-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=O)C(F)(F)F)CC2 1826009589 VGHJBRHUQHIOQD-YUMQZZPRSA-N 442.847 0.987 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055051 SMORPDOYNFNAKX-SFHVURJKSA-N 425.298 0.340 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830562376 UTKQQLSBKCCBSC-OPAMFIHVSA-N 443.504 0.111 50 20 ICGD O=C(c1cnc2ccccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727712 CIGWDHZKOSULSB-XLIONFOSSA-N 434.880 0.300 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831645562 CFEAUFQUMFYDBI-WBMJQRKESA-N 426.844 0.960 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)nc1 1833600443 ZYRHQPJNVUHGRD-RHSMWYFYSA-N 449.888 0.090 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1834824704 IHEGKOXWPODBSX-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826296 KBLUYXUGFGIYLE-MAUKXSAKSA-N 443.342 0.761 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836034468 JKERUDKUAVHQJH-NVXWUHKLSA-N 448.264 0.910 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1836282272 LGIAMHFROGJEFH-SJKOYZFVSA-N 429.315 0.826 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837328305 WMEJHRXEANJTEF-MAUKXSAKSA-N 446.957 0.007 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccon3)CC2)CC1 1837560967 VENXMYKCHJUXNO-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1839961988 POZZWDCXWVULLK-HDMKZQKVSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840153488 PRLMZNHDOLEGPD-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1840155990 HAWMIFRRAFCRNG-ALKREAHSSA-N 428.917 0.463 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355195 ARCJTQOYHHLGLW-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347644 ARNFPPKFESOZFJ-CQSZACIVSA-N 433.933 0.721 50 20 ICGD Nc1nc2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2s1 1842961627 ADCVHTGNZCKREJ-UHFFFAOYSA-N 436.302 0.689 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccn(-c3ccccc3)n2)C1 1844798338 AVPRGFGZZBBZSB-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847559526 SERKYWBIYBZADJ-AJNGGQMLSA-N 431.917 0.424 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847564270 SQJSJUOLWFMIMU-MNUAXYBXSA-N 431.917 0.160 50 20 ICGD O=C([C@H](F)Br)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848217380 KNJZJHBISZARFD-YJRXYDGGSA-N 443.273 0.885 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 14907256 VACCAPJDDXSLHC-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 15315221 PQILHYGYCLKKLL-RTBURBONSA-N 441.532 0.521 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC 22410628 YNXKJFOADOYCOM-UHFFFAOYSA-N 443.503 0.755 50 20 ICGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 728203019 FEIAGJBPRARWBR-UHFFFAOYSA-N 426.838 0.726 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)C1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728329847 WHZCXPBJMNLURG-INIZCTEOSA-N 440.474 0.265 50 20 ICGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728953099 BDXFOKRSDXYWQA-LBPRGKRZSA-N 425.436 0.927 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CCN2)NNC(=O)c1cccc([N+](=O)[O-])c1 732338628 DDCVDCOIZKRSFF-UHFFFAOYSA-N 427.373 0.967 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1C 736742938 RJSQUVMLWNUGAE-LJQANCHMSA-N 436.490 0.644 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1 741208129 ZORAHGISHXZIGT-AWEZNQCLSA-N 428.493 0.772 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 743254733 TXZHYPGZDZTQEW-ZETCQYMHSA-N 447.278 0.581 50 20 ICGD O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 746189001 OYIQSGXGVRBTDY-UHFFFAOYSA-N 441.356 0.416 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746385746 LKFFMLXALUSZAF-DLBZAZTESA-N 448.520 0.181 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]1C 747844368 JRWCBUWNEHKKCE-ZACQAIPSSA-N 440.589 0.157 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)n1C[C@H]1CCCO1 748368939 BUNMRVVFUQVDAN-UMSHPIDHSA-N 449.577 0.624 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1 749777259 LXLFYGIQGUCEME-UHFFFAOYSA-N 449.475 0.653 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)c(F)cc1I 758059045 ZPKWUYAVYDWTQH-YFKPBYRVSA-N 447.201 0.268 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763576587 CRLAMZLMSBNQDO-KRWDZBQOSA-N 440.412 0.878 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 763662220 VYFRNHWXFMPXIA-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763682142 XZSZSAARQPQPDH-CYBMUJFWSA-N 442.403 0.196 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(C)c1 763682220 KSUIUMNKEOIBJZ-UHFFFAOYSA-N 433.392 0.851 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 764225973 DGKLAYJISCRQNW-GFCCVEGCSA-N 446.485 0.312 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764352694 BAJNWUMXXSCRJT-UHFFFAOYSA-N 425.445 0.797 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764423604 CIXFZHNJXVZZCP-AWEZNQCLSA-N 426.857 0.227 50 20 ICGD COc1ccc(COCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765738765 NWIXSPBPHKIAJI-UHFFFAOYSA-N 440.500 0.817 50 20 ICGD CCc1sc(C(=O)NNC(=O)CNC2(C(=O)OC)CCS(=O)(=O)CC2)cc1C 770176770 MLIDBCHNOBLOPY-UHFFFAOYSA-N 431.536 0.090 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770443198 QCZADQDEBGWOSA-UHFFFAOYSA-N 434.474 0.187 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 772705321 AGAQQXOIOUFNRX-HXUWFJFHSA-N 428.449 0.507 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n1 773723641 CKOCPFBCHGPQAD-CYBMUJFWSA-N 448.505 0.988 50 20 ICGD CN(NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205048 IMJWCFLOVWZSCO-UHFFFAOYSA-N 434.453 0.662 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)ccc21 778712090 ZMHUUIZFXZASSI-UHFFFAOYSA-N 442.428 0.093 50 20 ICGD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003953 ATLMXBNNXTYVDO-UHFFFAOYSA-N 431.474 0.921 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(Br)nc2)cc1 784806221 DAQKMLSXAGEOKC-UHFFFAOYSA-N 428.268 0.834 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ncccc3Cl)cn2)C[C@H](C)O1 784820936 DIRBTSMCOJTDAC-RYUDHWBXSA-N 435.872 0.649 50 20 ICGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 786687540 ICXFCQXIUWGMDC-CABCVRRESA-N 436.534 0.914 50 20 ICGD CN(NS(=O)(=O)CCCN1CCOCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788917259 UKBUVKWYUFRVKS-UHFFFAOYSA-N 449.574 0.148 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 789331451 LSASCRIGPRRYFB-DLBZAZTESA-N 440.522 0.609 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789812306 KQPPQTQSEHBANL-HKUYNNGSSA-N 441.440 0.897 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)c1 796990601 TXGPFZLJQRFFTQ-UHFFFAOYSA-N 427.461 0.586 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)cc2)CCN1 803431467 ZVNSXRQGVGUEGZ-UHFFFAOYSA-N 441.469 0.406 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1F 810385674 YQLBWKCFPWNTGL-CYBMUJFWSA-N 435.339 0.677 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 815692798 BTROLMQBMNOZQU-HNNXBMFYSA-N 444.455 0.941 50 20 ICGD Cc1c(Cl)cccc1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 913450267 NLPLQZALYXEXRZ-UHFFFAOYSA-N 435.897 0.413 50 20 ICGD COCCn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 918542963 OXBBJLPNHLEJDR-UHFFFAOYSA-N 436.494 0.781 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779031637 VDMDIJOLIAKTIG-HSZRJFAPSA-N 437.500 0.680 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)sc1C 1779032157 DAMJDQLXEIMGDL-HXUWFJFHSA-N 444.517 0.516 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781538973 FVXAXBIZOWQJGL-IQUTYRLHSA-N 431.917 0.451 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1782074243 SELCCNZFGSVVQM-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCn2ccnc2)C1 1782484940 HEQODRYQPXJKQF-XMSQKQJNSA-N 448.568 0.550 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783347319 GYPNENBXOAJARF-QLJPJBMISA-N 429.271 0.505 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783530109 RZICUPOKWIMKCA-PRHODGIISA-N 449.195 0.955 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783535856 DAOJBPHTHLTXKT-YJBOKZPZSA-N 443.386 0.380 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1783882093 VDXQBVHDBYVKTD-IFXJQAMLSA-N 433.933 0.983 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937385 IAMFNVWIQDPMJP-NRFANRHFSA-N 440.541 0.313 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947262 QXEPQDAODRQOOG-BZNIZROVSA-N 426.297 0.463 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785690952 POSJFDIMKSDTEF-NHCUHLMSSA-N 434.248 0.556 50 20 ICGD CCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508075 CEGRGOCYVUHTOS-VYOPWZLOSA-N 433.509 0.527 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)nn3)CCC2)cc1)c1ccc(B(O)O)cc1 1788140304 RVTJXTWLWNVCFK-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791293726 FJBNKJWTERMBDR-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(C)s1 1794465935 UUCQRWZGRXNXCX-BCDXTJNWSA-N 427.335 0.934 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736701 GLYBXXONMHBMNL-ALOBAPJISA-N 436.317 0.448 50 20 ICGD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)ccn1 1796190961 IURZQYQCEXIZLE-REPLKXPHSA-N 436.277 0.285 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796283139 JTIWWJGFVGOYDG-OHTBPHCPSA-N 440.294 0.839 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnc2[nH]ncc2c1 1797346168 HPAGPBSWLVBAFN-YVECIDJPSA-N 426.246 0.852 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1Cl)C2 1797751897 XODAMVXTHIUCBH-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD COc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752762 FKRRSGGDZAGWJH-HBCWATKFSA-N 439.472 0.211 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)[C@@H]1SC(=N)NC1=O 1797956035 XAKPPBSFJFDEFR-AMVBZWJASA-N 442.614 0.230 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798545136 CHIQVUZRJALUGR-UKBAYJJMSA-N 440.924 0.905 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1cccs1 1801294254 XEAPNVFLFCOXHB-FLTUCWPJSA-N 443.529 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCCN2C)[C@H]1c1cccnc1 1803167853 QIHXKATXCGCKFL-WOIUINJBSA-N 444.580 0.945 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1807361665 JCSHGUFCRKJFBC-SKBHOOIQSA-N 437.305 0.649 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362316 GJHPETQCQYJIMZ-HKUYNNGSSA-N 433.277 0.128 50 20 ICGD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366184 XPULUNLXWCFQLK-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370560 GSYKILDBRRAZHF-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1 1807374909 PBNRKBYSVPKEPZ-QUCCMNQESA-N 432.289 0.775 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(C)C 1809978633 FIHMSCNEBPWSLQ-FQEVSTJZSA-N 444.337 0.799 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1810306182 VEJVJCPBMCFWBF-QXRTWZOPSA-N 426.452 0.758 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnn1 1810722458 DEBJNZGABBDLAH-XLIONFOSSA-N 431.261 0.185 50 20 ICGD C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815211475 JZWRLEUMBKIQPT-KDOFPFPSSA-N 426.282 0.987 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)nc1)CC2)c1cccc(B(O)O)c1 1815360149 ABDMEVNCZJPXAU-CQSZACIVSA-N 440.265 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817479829 TZHVTTXGHPABRU-LSBZLQRGSA-N 440.309 0.947 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1ccnn1 1821726653 JIUDOTBGCJJCME-DZGCQCFKSA-N 431.501 0.628 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1 1825641478 KVEBAGHBKQGCLE-HHURGBBESA-N 449.327 0.903 50 20 ICGD Cn1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cn1 1827055470 YFAWGDZFRKNIQV-NRFANRHFSA-N 438.337 0.576 50 20 ICGD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060351 YMYMQTHYRROQOP-MHTWAQMVSA-N 426.322 0.492 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737972 JETCTDZUELNXKM-AUUYWEPGSA-N 448.850 0.958 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830739095 YCCYAGSYIOPOKP-AUUYWEPGSA-N 430.860 0.504 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1831646523 KVELTYZUYOCVMY-KPZWWZAWSA-N 428.873 0.365 50 20 ICGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835422889 LQJPBIRNGGIDMT-WBVHZDCISA-N 437.306 0.950 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)s1 1835841986 QBSYMGIWTVYZCE-OAHLLOKOSA-N 433.328 0.580 50 20 ICGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)sc2nccnc12 1835877820 LBIZCNVPEIUOSU-SUMWQHHRSA-N 443.888 0.878 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717512 XKHOYMUFIAHWFC-RHSMWYFYSA-N 427.933 0.513 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138443 GOMNRARUMNMGCQ-QVKFZJNVSA-N 449.891 0.909 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 1837138493 FPGDEICZOLHZRB-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837240804 BBKZPQOXSJIOLQ-MYUZEXMDSA-N 434.631 0.453 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 1837456505 JFGQNZOHZGXIFS-FQEVSTJZSA-N 445.501 0.130 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1837919486 XLCGKAZCPYBNNO-KRWDZBQOSA-N 426.681 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838466696 MZQHMHCNJMDKBP-NQIIRXRSSA-N 448.907 0.954 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838794769 XFFGAHHHGMMJPM-QFBILLFUSA-N 437.859 0.872 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)C[C@H]1C)CCO2 1839089205 NWYBSPZGMVXDKJ-GCUOIQIRSA-N 445.520 0.623 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839146325 NPJHZYDZMWOZSV-ZUZCIYMTSA-N 439.822 0.911 50 20 ICGD O=C(COc1cccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203592 PPVGNOQNBFLOOW-GOEBONIOSA-N 447.261 0.002 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840153523 RHWJFDUEGOWLRD-XLIONFOSSA-N 436.896 0.658 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1ccccc1 1840799846 RTXJATZALWQXSV-YLJYHZDGSA-N 441.887 0.797 50 20 ICGD O=C(c1cc(Cl)nc2n[nH]cc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011119 SSKAPESNTKELNG-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265578 QMMDQUWMEDTRCW-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCO1)C2)NC(=O)NCc1ccccc1 1845039336 GADFKZWAGWVMMP-SFHVURJKSA-N 429.521 0.715 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1)NC(=O)NCc1ccccc1 1847520675 BQZOATJHSYYWDX-ROUUACIJSA-N 427.505 0.514 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)C1 1848098606 LHRBRQMJGONRTR-XUXIUFHCSA-N 428.917 0.456 50 20 ICGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O 13082218 VQAZUIVSXZILPP-UHFFFAOYSA-N 440.441 0.078 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c2ccccc2c1=O 17163637 PPTNPAWNBGYAPK-UHFFFAOYSA-N 433.428 0.373 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccco3)[nH]c2=O)c1 109332709 KNMDLSDEAFEVEL-UHFFFAOYSA-N 430.442 0.960 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 725870624 MNAGODKWZPBLOS-UHFFFAOYSA-N 449.489 0.147 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)NC(=O)NC1=O 726282847 TZSCAGPLIQDYNS-NRFANRHFSA-N 439.428 0.657 50 20 ICGD CC(C)(C)c1noc(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 728328176 PQPQJTVDHUUDHR-AWEZNQCLSA-N 432.433 0.830 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 729622789 ASDSYDAOZRTWLZ-TZMCWYRMSA-N 426.543 0.341 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 730315908 FZBOLELWSXTEKR-CYBMUJFWSA-N 439.490 0.710 50 20 ICGD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 731214709 WUOYBMIWWDQZRF-QFBILLFUSA-N 433.528 0.899 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1Br 732175703 NTRGBGFEPCKYBN-UHFFFAOYSA-N 435.300 0.134 50 20 ICGD Cc1nc(CN2CCC(CNC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)oc1C 732475311 AEBSXVAZXSDQSX-UHFFFAOYSA-N 432.481 0.857 50 20 ICGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 733660149 MWNJDWHSVAUAHI-ZDUSSCGKSA-N 446.551 0.238 50 20 ICGD O=C(NCc1n[nH]cc1Br)NNC(=O)c1csc(N2CCOCC2)n1 738449779 DWRVXYAMNZMGDR-UHFFFAOYSA-N 430.288 0.610 50 20 ICGD CCO[C@@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 744412838 UKEQRVRAUWGNFF-HNNXBMFYSA-N 441.492 0.618 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)cc1 744570902 SWXBSKGDIDGSSH-UHFFFAOYSA-N 436.471 0.293 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744820003 WQTXOZLEWCBZEV-MRXNPFEDSA-N 436.490 0.457 50 20 ICGD CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 745896189 WYXFNEACQAUYSG-CABCVRRESA-N 442.563 0.936 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 748174527 XUKBCMVZQUCBCI-MRVPVSSYSA-N 435.359 0.621 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nn1)OCC 748558421 UFNPELQCJSHXGH-UHFFFAOYSA-N 425.467 0.156 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 748790552 KOCYADCPKUWVFA-GFCCVEGCSA-N 428.444 0.693 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 756797476 NTHMTRYKOAHMRT-CYBMUJFWSA-N 425.283 0.612 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cn(CC4(C)COC4)nn3)n[nH]2)cc1OC 760005243 KWISCBPSNNTGDT-UHFFFAOYSA-N 441.448 0.797 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762937331 JCAGUIPMVFVZIS-ZDUSSCGKSA-N 425.536 0.899 50 20 ICGD COC(=O)C1=CC(C(C)(C)C)=S=C1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 763442434 QHDAZDSKOBEUGP-UHFFFAOYSA-N 448.457 0.667 50 20 ICGD CCn1cnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763570432 FLELHDWGUDIPFS-QGZVFWFLSA-N 436.428 0.891 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 763571669 NQLMFPLQIOCUSC-MRXNPFEDSA-N 441.379 0.036 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 763639241 JUOYMDVKKMFVEC-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 763760790 RWWZVHLZOBXLPN-UHFFFAOYSA-N 437.456 0.801 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(-n2cnnn2)cc1 763939363 MNWHHFYREXBZGY-UHFFFAOYSA-N 436.251 0.886 50 20 ICGD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 763997372 KKRUGHDTENMJNQ-INIZCTEOSA-N 444.513 0.844 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C(=O)Nc1cccc(-n2cnnn2)c1 764059061 OGOVTBKZPGXBOA-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)cc1 764131680 RPAFUWLZKLHMBQ-UHFFFAOYSA-N 431.401 0.742 50 20 ICGD CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)C1 764167496 GXALITQRGFBYBC-KRWDZBQOSA-N 427.461 0.846 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 764226617 JIICVWVTRUARRG-CQSZACIVSA-N 448.501 0.427 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cccnc3)cc2Cl)CC1 764263291 CIPVTAJRMZKFMT-UHFFFAOYSA-N 430.896 0.815 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764353434 GSVDSMRMFHGTLE-AWEZNQCLSA-N 447.517 0.628 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cn1 764379279 AQGXAPFDFVYJFQ-UHFFFAOYSA-N 441.354 0.897 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 764435346 UQNLBLTUFMYCLT-INIZCTEOSA-N 436.440 0.846 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nccnc2OC)c1 764466064 VLKTUKDTPMCQBS-UHFFFAOYSA-N 436.494 0.389 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765617638 UUMGVWKMMPSYAA-MUIFIZLQSA-N 427.392 0.139 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3CCCCO3)CC2)cc1 765731020 YKJOSYMIFDIDOI-QGZVFWFLSA-N 438.550 0.408 50 20 ICGD CCc1noc(CC)c1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737019 DIHKYCGNFKOZQZ-UHFFFAOYSA-N 427.505 0.947 50 20 ICGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643716 ROPMHFHAZKDYLO-IIBYNOLFSA-N 438.484 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768230487 FWMSGGCKMPKARN-MRXNPFEDSA-N 449.427 0.466 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768519151 JNRPBTUOZAOTJH-GFCCVEGCSA-N 427.383 0.415 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 769765039 IPAXBAVVUIBDRE-UHFFFAOYSA-N 441.398 0.877 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc([S@@](C)=O)c2)CC1 771734922 KHGSICBBYHCNLI-MUUNZHRXSA-N 437.547 0.512 50 20 ICGD COc1c(F)cc(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1S(N)(=O)=O 772015434 FYEAYDBYIYWGGF-SNVBAGLBSA-N 433.458 0.149 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1O 780772909 JLACSLCEHIETDN-UHFFFAOYSA-N 429.476 0.031 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNc2ccc(S(C)(=O)=O)cc2)c1 783077697 AIYKJDKFZLDANO-UHFFFAOYSA-N 429.462 0.845 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(CCN2CCCC2)c1 784002465 QABYEYOSDPIHQH-UHFFFAOYSA-N 427.461 0.434 50 20 ICGD O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NNc1nccc(N2CCOCC2)n1 787899197 CGLIITVCXOSPSB-UHFFFAOYSA-N 427.425 0.152 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 789729632 DGOWMMCGXNCFQU-UHFFFAOYSA-N 442.545 0.930 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)nc1 792395597 WKTKLRLAXPRAKN-UHFFFAOYSA-N 439.450 0.482 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)[C@H]1CCS(=O)(=O)C1 792853886 HHIOTGYJSQINTE-INIZCTEOSA-N 438.531 0.410 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 794063462 GXUAXUAJARLWOQ-UHFFFAOYSA-N 440.522 0.558 50 20 ICGD C[C@@]1(NNC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCS(=O)(=O)C1 807221554 CYEREBGDEZDBCR-CQSZACIVSA-N 443.469 0.990 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 807240058 MPUYRAOQKYHWTQ-ZSEKCTLFSA-N 447.492 0.793 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)o1 808097959 ACFVJCGRBIJGDN-UHFFFAOYSA-N 437.909 0.932 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811103876 NSSABIKPZWELBM-UHFFFAOYSA-N 438.487 0.392 50 20 ICGD CCc1nn(C)c(OC)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 814688564 CJJTXWWVXMXJOD-UHFFFAOYSA-N 435.506 0.776 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2C1 914831327 IEMABHJBOXVMCC-XBFCOCLRSA-N 439.559 0.670 50 20 ICGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 915616416 MCVQURWXEZKXSQ-HNNXBMFYSA-N 438.550 0.800 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(c4ccc5nnnn5n4)CC3)n[nH]2)cc1 917178510 LYEOGZOBILMWQM-UHFFFAOYSA-N 446.475 0.895 50 20 ICGD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920886827 YNDUYLSPGBTCCF-CYBMUJFWSA-N 426.495 0.933 50 20 ICGD CO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098116 CFCJKPWXPWIMHS-ZUOKHONESA-N 435.433 0.999 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334484 OBIBQQZYPBKLRV-RDJZCZTQSA-N 440.273 0.792 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497511 GEYGLTRPDSOECM-ULQDDVLXSA-N 429.659 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn(C(C)(C)C)c1)CCO2 1783936453 NSGYGEXYRFDMQZ-OAQYLSRUSA-N 434.541 0.455 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784283319 WRCPZTMPENHTOS-XUXIUFHCSA-N 432.315 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(NC(C)=O)n3)[C@H]2C1 1785536841 APVYLTMSOHVMMI-MPTYRVRUSA-N 438.912 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccns3)[C@H]2C1 1785815377 UNYPATKQPPCUTQ-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)c2ccccc21 1787447465 XTKJUZSWDWPONV-RASHJEQFSA-N 438.887 0.854 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cc(C)cnc34)[C@H]2C1 1788338108 QMXGDQMCDMVJSG-HJWJTTGWSA-N 435.912 0.885 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789872955 MGRMXGWXWQHFGP-HHDFAXHISA-N 439.336 0.818 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCC1=O)C2 1796892305 WBJYHJAHRDYAPI-YDOXXCSQSA-N 428.493 0.381 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1799275789 CXWQGHBELCMOPD-YDXZUZSKSA-N 431.276 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn(C)cc3c1)C2 1801012633 DDDWYBOJFHZGTA-UPHUGPLXSA-N 442.520 0.150 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NN1 1801215356 RVWMEAGOJAWKJV-AJYBTWMASA-N 440.548 0.764 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802209917 SFKZKNQABDXIBA-QKSJRXBFSA-N 434.248 0.315 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(N)=O)cc1 1803489054 PSVHNDSZWNZGSO-MUJYYYPQSA-N 436.472 0.350 50 20 ICGD O=C(NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1804058215 LCRFGXCWSISYFM-WKCHPHFGSA-N 449.316 0.438 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364223 STCWNQXGBQETFT-HLAWJBBLSA-N 436.321 0.175 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374823 JRSHHWNLGICRPJ-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)[C@H]1CCCS1(=O)=O 1812494518 XOABSPBKKHKWKO-ZJIFWQFVSA-N 429.926 0.264 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071901 VXXFPOCIDKLKRQ-GCJKJVERSA-N 432.569 0.849 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814624190 ULIROWYIDJAORZ-BPDROILWSA-N 445.505 0.277 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1815056701 PSLLHLIGYZILSU-BDAKNGLRSA-N 432.344 0.433 50 20 ICGD Cc1onc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1C 1815337114 NBYMVCOBVBPFPI-CQSZACIVSA-N 440.290 0.967 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349988 BSIHKYRMCXZTHX-CQSZACIVSA-N 439.306 0.404 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1826720731 ZMEVUZDIAMINIT-RBUKOAKNSA-N 429.005 0.843 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050298 MABJRJAKOYNHDX-NRFANRHFSA-N 443.353 0.468 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731567 MIDLUUNSYCCHKH-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732415 XRZJVIKGDRWIIP-DFKTWGJJSA-N 449.891 0.078 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)n1 1830738377 NXEFUGSNFFEUHN-NQIIRXRSSA-N 439.940 0.687 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831646443 LORIPNIZYCYUMG-YLJYHZDGSA-N 431.961 0.573 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)C1 1833306255 OQANJZGSYKSWJA-IIDMSEBBSA-N 443.972 0.747 50 20 ICGD C[C@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833884469 HQYSXNSPNSVLJA-CRAIPNDOSA-N 425.961 0.691 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1834775038 MFTXQOOAFNGYFI-JDTHPWDHSA-N 437.320 0.798 50 20 ICGD Cn1cccc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800113 WHSGJZZWOLBNIJ-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826406 OXNVUGJITMVCMT-RDTXWAMCSA-N 443.342 0.994 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834828067 XEIZDPSMSDXJGM-IBGZPJMESA-N 446.386 0.960 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835370391 WMFDUNOFRNXHHF-GHTZIAJQSA-N 440.924 0.913 50 20 ICGD CC(C)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835795471 YASVTWAXKIHADI-QGZVFWFLSA-N 439.601 0.745 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417937 QDEYFFUARPYRQH-KRWDZBQOSA-N 444.282 0.348 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837247176 TZANPHXWHWFYMD-CCLKGCNTSA-N 439.372 0.385 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459638 UHHXWJPNCCPZKV-ZMPRRUGASA-N 445.520 0.191 50 20 ICGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)co1 1838139272 QXCVUNJPOYLXLI-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839212789 KBNYHGBMPXTLDL-SUNYJGFJSA-N 446.342 0.095 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)CC1 1840035344 NTRHTMAVQCSKFM-DYVFJYSZSA-N 447.326 0.570 50 20 ICGD O=C(CCc1c[nH]c2ncccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012572 BVGHVRLVLDYCJV-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012665 LQTMLWSKENGMJQ-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD Cc1cnc2c(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)cnn2c1 1844058718 CYDUSASZVXCKCW-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)CC(C)(C)O)C2)NC(=O)NCc1ccccc1 1845038630 APYXZPSFVLJTSC-UHFFFAOYSA-N 431.537 0.697 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CCOC1 1845206824 LTWPOGCDEKPPQD-YJYMSZOUSA-N 431.917 0.473 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1845788431 XPBXPRDVCGJUQI-CYGNYLSHSA-N 433.465 0.885 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848055227 JQFGLDGKMBRGMB-OALUTQOASA-N 441.224 0.472 50 20 ICGD O=C(COC(=O)CCN1C(=O)COc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 17989134 LRRZJAJDBSMONW-UHFFFAOYSA-N 442.384 0.715 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 726077017 LEGLDGCKWYXCCS-UHFFFAOYSA-N 446.551 0.000 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCC(=O)N(C)CCc2ccccn2)cc1C 727608868 YPHRDNCJBJRTPJ-UHFFFAOYSA-N 426.477 0.668 50 20 ICGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728856609 XPNXMLMKADTHRS-UHFFFAOYSA-N 435.462 0.410 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)c1 728870799 FMVFEHIUAIKYCO-UHFFFAOYSA-N 434.499 0.779 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1nnc(O)c2ccccc12 730517432 WTXLVRFWQFXKSQ-HNNXBMFYSA-N 449.423 0.921 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cn1 735444232 HNVGTBWVDVUIGD-UHFFFAOYSA-N 427.870 0.169 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cn1 735471082 MPCULJIGAZXCHZ-ZDUSSCGKSA-N 441.897 0.606 50 20 ICGD O=C(O)COc1ccc(Br)cc1C=NNC(=O)Cc1cc(O)nc(O)n1 743446359 ULVIZAFYBVCCBG-UHFFFAOYSA-N 425.195 0.807 50 20 ICGD O=C(NCCCN1C(=O)COc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 743640457 LBWXWXAQNTWRAS-SFHVURJKSA-N 426.429 0.973 50 20 ICGD COCCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745857619 RBVHXUPMMQQDNP-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 751564200 UUWMKLCCSZUYJT-CHWSQXEVSA-N 443.909 0.149 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752180734 MWIYSIYBRZWPPP-CQSZACIVSA-N 427.504 0.430 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C 755394150 SKBSUBJXCQLCQG-CYBMUJFWSA-N 446.551 0.613 50 20 ICGD CC(C)Oc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755927346 PQKYTPPSVOFKAM-UHFFFAOYSA-N 429.437 0.074 50 20 ICGD CCOC(=O)Cn1ccc2cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 756396963 QLTXQTLRXCLTSD-NSHDSACASA-N 425.467 0.295 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nn(C)c3ccccc23)c1 760173661 HKVXCGPJHFZBHT-UHFFFAOYSA-N 430.490 0.968 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 763468576 NEDVSOMVBUUQGH-UHFFFAOYSA-N 428.405 0.535 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 763486700 UCGKNEGHFYJYKC-ZDUSSCGKSA-N 437.815 0.938 50 20 ICGD Cn1cnc2cc(NC(=O)C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccc21 763529469 CDVZGCYRAXVSAK-UHFFFAOYSA-N 449.515 0.872 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570656 HLKIPNWZACSBKF-MRXNPFEDSA-N 428.401 0.246 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763575431 UVJNDARGQKCNIZ-KRWDZBQOSA-N 426.429 0.671 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1NC(C)=O 763674862 PWLMSNPYGFRMTE-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001542 AOBSVDCRWSOEHD-SECBINFHSA-N 445.519 0.353 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 764392874 MJFFKISVPNURKB-UHFFFAOYSA-N 445.501 0.805 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)CSc1ccccc1O 765248025 DLSBVCFCPUQKJF-UHFFFAOYSA-N 447.517 0.905 50 20 ICGD C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O 765324416 WGUKFVCAYZUERQ-GFCCVEGCSA-N 425.486 0.692 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767273404 VLBCTWJQRZILGY-UHFFFAOYSA-N 449.485 0.724 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 768348756 XFAGAVVHPZYTIS-UHFFFAOYSA-N 446.485 0.543 50 20 ICGD CCNc1nc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cs1 769104790 IIPVMLWNOLKXRM-UHFFFAOYSA-N 425.540 0.663 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1=O 769694823 QSTLZLSOAXRFHI-UHFFFAOYSA-N 437.456 0.586 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770981198 XONQRZHZAAXTQM-UHFFFAOYSA-N 435.466 0.279 50 20 ICGD C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)NNC(=O)CC 771963126 MSRYADXZWQPLNJ-YEJXKQKISA-N 428.445 0.641 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(C(F)(F)F)cc3)cnc2n(C)c1=O 773769221 RHERBAUKSPPGQN-UHFFFAOYSA-N 436.350 0.733 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 775840578 AYJCUOWRXQJFBP-CYBMUJFWSA-N 427.527 0.367 50 20 ICGD COC(=O)c1cc(Br)c(S(=O)(=O)NNC(=O)N2CCOCC2)s1 777618080 BVYQMHAIGIDPBU-UHFFFAOYSA-N 428.286 0.532 50 20 ICGD COc1ccc2nc(NNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c(C)cc2c1 778476586 RINUVZUHILYURH-UHFFFAOYSA-N 432.462 0.400 50 20 ICGD CC(C)(C#N)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 781954444 VPBNZIUQYBUBGY-UHFFFAOYSA-N 437.522 0.520 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1 782146044 UWTQKUGWTKDPTI-LBPRGKRZSA-N 437.478 0.485 50 20 ICGD O=C(/C=C\c1ccc[nH]1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 783513361 BUVZXTKOOOTULT-POHAHGRESA-N 432.502 0.829 50 20 ICGD CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)CC1 783998621 FLAPCSLLLDZVBQ-UHFFFAOYSA-N 429.477 0.267 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F 784003921 FNBGNQVNXGGKPQ-UHFFFAOYSA-N 428.323 0.579 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccccn3)c2)CC1 784793201 CNNHNSOINTYYNW-UHFFFAOYSA-N 432.506 0.490 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)n1 785225041 BCSXGMDLKLZWTC-UHFFFAOYSA-N 440.468 0.697 50 20 ICGD CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn2)CC1 786405864 DGRRDMJHKGSGIX-UHFFFAOYSA-N 449.512 0.666 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1OC 789856472 GXKFLLLSBRKGQY-UHFFFAOYSA-N 426.495 0.109 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 793749395 KTBPKYKBWDCHKD-SFHVURJKSA-N 446.489 0.515 50 20 ICGD CC(C)Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n(C)n1 797369404 VASLNXSUJMSIHX-UHFFFAOYSA-N 430.465 0.631 50 20 ICGD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NNC(=O)CNC(=O)c1cccs1 799912516 WRDOCFRTQPMWJL-LLVKDONJSA-N 439.519 0.559 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 801883265 IKLQFHBBERLEMK-MRVPVSSYSA-N 425.389 0.668 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808187189 ZBXXNGJNZLWOQW-AWEZNQCLSA-N 434.522 0.791 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 815751715 LBGOWDIMIFKQEL-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCc2nncn2C1 816880982 WTLWPYYTVKNNOP-QWRGUYRKSA-N 433.450 0.262 50 20 ICGD Cc1cc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 823961765 XUKRLZBUFNWAOM-UHFFFAOYSA-N 435.506 0.062 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2)CCN1 906487253 SFHFKWKCHGMSDV-UHFFFAOYSA-N 448.526 0.432 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(Br)c2)C[C@@H](C)O1 912922018 YZDBDUKIDNZUJT-CHWSQXEVSA-N 441.326 0.826 50 20 ICGD CN(CC(=O)NNC(=O)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1 915356304 LSLHQQFXKKCGAY-UHFFFAOYSA-N 427.280 0.926 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNc1ccc(-n2cccn2)nn1)C(F)(F)F 916377327 SRRRKXBMNHIKAE-OAHLLOKOSA-N 425.375 0.862 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNc2ccc(C#N)cn2)cc1 916521634 KNHZZUUXMYOMFE-UHFFFAOYSA-N 445.505 0.325 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N[C@@H]1CCS(=O)(=O)C1 919889946 XHERJCPGMGRXKK-CQSZACIVSA-N 444.535 0.039 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783965869 WFTDERQXCPAKPI-HTOAHKCRSA-N 433.347 0.444 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785697272 OBVZWXNFJQOQAF-UXHICEINSA-N 428.480 0.935 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786424608 GWANIEHNIRYUII-GLYSVQQSSA-N 447.492 0.053 50 20 ICGD CCc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786981095 RAYPMSBKQNBXDJ-WBAXXEDZSA-N 443.334 0.292 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)CCC1 1787863474 MXORCGMFXORDAO-QGZVFWFLSA-N 436.472 0.711 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788142326 OLHITLNJMYZMIS-OAHLLOKOSA-N 435.289 0.805 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788720422 OWNOYSGFFLQVEO-QXKUPLGCSA-N 442.358 0.925 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791293353 YEAKSVYFRXIGDZ-OWSLCNJRSA-N 434.541 0.105 50 20 ICGD Cc1cn(CC(=O)Nc2ccc(C3(NC(=O)[C@H](O)CCl)CCC3)cc2)c(=O)nc1O 1792222789 BNYWIWYKYQWOPX-OAHLLOKOSA-N 434.880 0.991 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793229617 AWCAOCQDQAJICJ-ZMMAXQRCSA-N 437.924 0.602 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2)c1cccc(B(O)O)c1 1795737411 DUPNMCAQZQTPFN-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD CCc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n(C)n1 1798849046 SJCMOKMMSOKXSW-QDMKHBRRSA-N 425.493 0.547 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1800977149 SLDNUKHNQYTTSQ-IVSAIRAKSA-N 440.928 0.130 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(C)cc(C)nc13)C2 1800978515 SWVFWEZELPKWOR-FSDCSDTHSA-N 435.912 0.803 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359508 AJRYFRMDMPDBAA-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cn[nH]c2)[C@H]1c1cccnc1 1808607203 LPIMPGVRQGBCOC-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnn1 1812400045 UGERUFXMUSDSEY-WRWLIDTKSA-N 442.524 0.313 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1813096993 PLKVFFFEWUAKMV-OUCADQQQSA-N 436.818 0.366 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347978 AHSPOTMJRDVPPO-SLZMIMFISA-N 442.306 0.089 50 20 ICGD Cc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1816409822 FHNRXOYSXUXWFW-GOSISDBHSA-N 434.265 0.808 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2 1819472866 LTGYJXLXSZPJFO-SREIQFSDSA-N 425.294 0.923 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004154 QCUNIXJYXXFPNV-OKTBNZSVSA-N 436.307 0.338 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824677814 ZRKKLNUGERQJSJ-HTQZYQBOSA-N 447.311 0.382 50 20 ICGD O=C(c1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050817 ZRFJGRVCYIQHQW-LJQANCHMSA-N 438.293 0.409 50 20 ICGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(Cl)cc1 1830719962 POYLHOFRDIQRGD-HNAYVOBHSA-N 445.299 0.579 50 20 ICGD O=C(COCc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723295 NBODBGSXAGQKIT-PXNSSMCTSA-N 426.897 0.259 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1831875570 ZCZPQBGUCSLVNW-MSOLQXFVSA-N 435.569 0.505 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833665895 JXSUQVVRQGPQGT-UZLBHIALSA-N 440.928 0.471 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1835400199 NJENZHZXUJBOKU-OAQYLSRUSA-N 445.004 0.345 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171472 QQSSLSGQCSWIJK-KXBFYZLASA-N 437.884 0.053 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)c1 1839023721 ZDANUQJOPCNEHD-XLIONFOSSA-N 426.897 0.673 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839150281 HTXJHELRWZAKQD-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202411 FATCFJJKKYWPEW-SLEUVZQESA-N 443.335 0.247 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CC1 1839202606 LBENPUDUTJLHOH-IAQYHMDHSA-N 437.262 0.087 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1839963677 RMUUNFRUUZMLIS-MEDUHNTESA-N 447.355 0.969 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840031175 HUTNSDHONRQWQY-RVKKMQEKSA-N 443.342 0.759 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840031755 BIEWBESHNQLUMJ-JOQOYGCGSA-N 441.326 0.321 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840152361 GKXLGJACIFVLDP-QRWLVFNGSA-N 436.896 0.658 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185911 ZYQVTAUMZBUYPQ-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nc2nccn12 1840189791 MDLFQAOPFXKDJA-GOSISDBHSA-N 442.303 0.911 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484705 FTERMAHZVTVOMR-FZKQIMNGSA-N 442.310 0.448 50 20 ICGD C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(O)n1 1843010920 VKUHEDCUBWOWLI-UHFFFAOYSA-N 435.289 0.716 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Br)C2)CC1 1845218001 HDRRHKLEGRQQRW-GFCCVEGCSA-N 440.335 0.552 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847513592 PJDBODNLHGPTBA-MROQNXINSA-N 434.331 0.857 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCS(=O)(=O)Cc1ccccc1 725873829 QZISOGKRRDOPJE-UHFFFAOYSA-N 438.531 0.813 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)NCC#N 726884100 WRPGNRKGYFBOKS-UHFFFAOYSA-N 430.442 0.643 50 20 ICGD O=C(NNC(=O)N1CCCN(Cc2cscn2)CC1)c1ccc(-n2cnnn2)cc1 727473737 RIHYCBXCDQHEPH-UHFFFAOYSA-N 427.494 0.681 50 20 ICGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215432 FEHYEZNWLAYETB-OAHLLOKOSA-N 437.566 0.761 50 20 ICGD O=C(CC1CCCCC1)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728340519 NAGLBPDYINFHGH-QGZVFWFLSA-N 433.461 0.604 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 729275175 MOSKMHCUCOKFQS-DGCLKSJQSA-N 430.914 0.277 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)Cn1cnc2ccccc21 729298407 FNTDRNIBDMWQKE-UHFFFAOYSA-N 434.460 0.575 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)C(=O)N2CCCC2)s1 729614894 UHQSBPNEYNSDOV-UHFFFAOYSA-N 445.567 0.274 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncccc1Cl 734246530 ZNFRFECYDQFDRE-CQSZACIVSA-N 446.938 0.960 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 734252104 CMDOGEKBHRPMNV-UHFFFAOYSA-N 429.524 0.506 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 735446002 OHZUXQJTDZCZBZ-UHFFFAOYSA-N 449.489 0.069 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)n2)ccc1Cl 737765253 CPQPEBYOAMFSLJ-UHFFFAOYSA-N 438.828 0.782 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)COCc2ccccc2)c1 738545352 DUGHUNPULLWDGZ-UHFFFAOYSA-N 433.486 0.922 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C 741206729 LFLKPKOSUFDWMM-UHFFFAOYSA-N 434.493 0.909 50 20 ICGD CCC(CC)[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1CCOCC1 742036387 JYKRPDUIBVTHFX-MRXNPFEDSA-N 446.957 0.885 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(-c3ccccn3)no2)CC1 751066683 LJEHKFNQTLIBQP-UHFFFAOYSA-N 443.489 0.825 50 20 ICGD CCCOc1cc(C)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756020414 AMNPNMGJUGYPLZ-UHFFFAOYSA-N 443.464 0.384 50 20 ICGD CN1CCN(CCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C1 758684444 LSWORCNWACCQLU-GOSISDBHSA-N 439.520 0.729 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1c(F)cccc1-n1cccn1 763572007 KJTQYCUVTNYLQL-MRXNPFEDSA-N 425.376 0.937 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1 763659406 NONUPTIKZWXNIB-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)n1 763736411 SYMZYZAHNFIGRD-UHFFFAOYSA-N 438.897 0.503 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)COc1ccc(C)cc1)CC2 763821003 PXMABBZIOAWYTD-UHFFFAOYSA-N 446.485 0.019 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 764154812 VBQHBGMSMVQWJC-IBGZPJMESA-N 432.436 0.986 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 764166568 CIHIVINHRPCSIK-SFHVURJKSA-N 433.424 0.381 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764295605 OFPYMYGCFKYYHZ-UHFFFAOYSA-N 436.494 0.455 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 764295719 QARCIZUMVALURO-UHFFFAOYSA-N 432.886 0.247 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1OCc1cccnc1 764433762 NSECZZCYHZUIAX-KRWDZBQOSA-N 430.417 0.171 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)C1 766640982 CPOQMMPWEKPGJD-FQEVSTJZSA-N 429.565 0.909 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c2ccccc2c1=O 770433743 DCCLCUXPURSSTN-RHSMWYFYSA-N 430.509 0.860 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 770949269 CSRZRFZCDJIMRA-RBSFLKMASA-N 429.514 0.882 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 771905166 VVEXLQTZARPHRU-MRVPVSSYSA-N 426.223 0.534 50 20 ICGD CC1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 775867472 JPNPVGPMHYOFGD-QZTJIDSGSA-N 438.488 0.219 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777753323 WJNHKPRXZZSKDQ-CYBMUJFWSA-N 434.815 0.949 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 778441086 JAESXHXWZUNTNV-UHFFFAOYSA-N 442.494 0.462 50 20 ICGD CCNC(=O)N(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 780708141 GHUGTSSAZJTKHT-INIZCTEOSA-N 426.271 0.909 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 780708531 GEUNEAIIOFUVKK-UHFFFAOYSA-N 431.946 0.972 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cc(C)ncn3)cc2)CC1 783938839 CZDSEFACRZXYLU-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1N1CCOCC1 784003566 IVTDAKTVVMRXHO-UHFFFAOYSA-N 445.501 0.409 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)NCc3ccccc3)CC2=O)c1 787595108 TYJOONNXGGKPMQ-AWEZNQCLSA-N 431.474 0.218 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@@H]1COc2ccccc2O1 794577884 ASTAMINKFJUOQT-LBPRGKRZSA-N 448.425 0.832 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 794598913 OVDKSJPHKQHWTO-UHFFFAOYSA-N 448.457 0.879 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1F 796992979 YZENRHDQYWRBGA-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 797370784 USTZRZMQENFXDK-UHFFFAOYSA-N 433.490 0.819 50 20 ICGD CO[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cnn(C)c1 798980100 DNEWEWCGFXWSCH-LJQANCHMSA-N 434.928 0.726 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1cc([N+](=O)[O-])ccc1Br 800617328 DYLMOBAGNASGJO-HBJVGIJOSA-N 439.222 0.963 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3nccnc3C3CCC3)CC2=O)c1 805466976 JAXRDTBOWXOMDW-CYBMUJFWSA-N 430.490 0.888 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 812445649 VTYRZHIHSCOOQC-UHFFFAOYSA-N 448.483 0.526 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)Cc3cccnc3)c2)ccn1 815569414 SIIQGHFJCWZGHO-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD CC1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2)CC1 815692325 OJZZRNLZHPJDOV-HNNXBMFYSA-N 425.493 0.863 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 817054216 YXGIAAQINFOHDW-UHFFFAOYSA-N 437.503 0.745 50 20 ICGD CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 836520088 MADBWMDIILDEHW-UKRRQHHQSA-N 428.486 0.376 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 912994480 NZEGLTZJARZQEC-INIZCTEOSA-N 435.462 0.938 50 20 ICGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 913054411 PFCLEVOQPKCPGJ-AWEZNQCLSA-N 439.944 0.642 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)co1 1253663090 ONAGYJJNFUQKNY-UHFFFAOYSA-N 444.510 0.938 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)[C@@H](C)CN1CCOCC1 1317717910 SMKZQVCQVXHYOR-JSGCOSHPSA-N 431.946 0.623 50 20 ICGD COC(=O)C12CCC(C(=O)N3CC[C@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(CC1)CC2 1778298263 CYKQMVDRMKKNHD-DTBAYKQASA-N 442.940 0.930 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877029 MVMKSPQNVVXFLV-IRXDYDNUSA-N 430.292 0.255 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781328789 ZTPDWSPMISXKKH-RDJZCZTQSA-N 435.338 0.144 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783409294 HSCJFCBBTMKQKH-HYBUGGRVSA-N 442.560 0.994 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1783933588 ATBVSJJELKLLNZ-IFMALSPDSA-N 432.521 0.577 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1783935240 QXOFFRVQWRCHRK-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)s1 1783935719 COBRVBPYHLIPNY-FQEVSTJZSA-N 437.566 0.505 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981834 FRPZIFUFMGGERF-IINYFYTJSA-N 444.248 0.668 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)CCO2)C1 1783997601 ZOMQZVKAMZPSAS-RNODOKPDSA-N 435.433 0.999 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccs1 1784379108 NUEPDIHMBYDGJS-YCRPNKLZSA-N 428.319 0.675 50 20 ICGD COC1(CC(=O)N2CC[C@]3(C2)CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CCO3)CCC1 1784866350 ITFPEIPFBCRITL-OLCUMFGGSA-N 445.520 0.910 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788565790 QSOWNNPWWWVMBS-NDKCEZKHSA-N 433.347 0.457 50 20 ICGD C[C@@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1(F)F 1788610828 BLZIEUCARLZBEE-TZMKYKESSA-N 437.447 0.324 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(Cl)ccn1 1788848293 PUYXYSODVOMBKL-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(-n2nccn2)c1 1789291064 XHVFFSLDIVNFNS-CBVHJVASSA-N 447.923 0.769 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1790315134 ULMWATBQPWOOOU-CBVHJVASSA-N 447.923 0.769 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790961143 XKILZFGYHPAKJP-LXFSFDBISA-N 447.374 0.847 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293982 VNVGIDHOXZYKGV-LEAZDLGRSA-N 445.564 0.613 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]4C3)cc21 1791294181 HAAUUTJUTRFGBJ-KWBADKCTSA-N 430.292 0.024 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2)[C@H](O)CCl 1792980445 IVRYSQXMVHSMEN-CZAMWMTLSA-N 445.907 0.373 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(OC)c1 1792983501 KVKHTMXARIDOJF-MQJTVSLUSA-N 440.924 0.826 50 20 ICGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795837765 XHMRRDGXWRTKJE-JJLQDPRZSA-N 429.340 0.943 50 20 ICGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)cc1 1796362516 DDQNVKPURZWEKG-RMHZUWNSSA-N 432.901 0.893 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C)c1)C2 1796440703 YUOZNKQJUHRLST-PHHZKWSHSA-N 440.504 0.671 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796882138 IJYYERLVADDGNS-REPLKXPHSA-N 436.273 0.917 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439615 OFZZGLPLOMMHMG-QDMKHBRRSA-N 425.493 0.601 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1806135282 CLGZMWKDBBDFPD-KKSFZXQISA-N 441.488 0.727 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360544 SUDLJSYRHYTUAN-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810487613 DCMYVVZLHOTSNV-UHFFFAOYSA-N 447.572 0.509 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813271450 GZPCDUVVKGKDCS-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2=COCC2)[C@H]1c1cccnc1 1813589390 DECYJXGFNOVVKK-DNVCBOLYSA-N 436.472 0.704 50 20 ICGD CCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339839 RATXFLOJFYRANU-AWEZNQCLSA-N 439.306 0.579 50 20 ICGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815940411 ZFWSEGOWNYUYBQ-SECBINFHSA-N 441.477 0.108 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncc[nH]1)CC2 1819795846 UTGCBDIEFFXCCR-VIFPVBQESA-N 426.462 0.404 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1819989269 YQKYLEVSYDBZBS-CQSZACIVSA-N 439.306 0.323 50 20 ICGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1)C(=O)O 1825641419 HOLNDFUXBKAMOR-KHQFGBGNSA-N 433.328 0.901 50 20 ICGD COCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085435 TYJJQGNSEQXVKG-GFCCVEGCSA-N 427.527 0.091 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cs1 1826963608 GZOMZLGJAOBWPD-SFHVURJKSA-N 442.350 0.952 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1830543867 GPYFUCWWSCZYSJ-SUMWQHHRSA-N 429.315 0.440 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731883 RGZRCIFTKXLMJU-KSSFIOAISA-N 427.910 0.899 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1831646524 KVELTYZUYOCVMY-KZULUSFZSA-N 428.873 0.365 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1833264384 FFZKEJSRLMQSSJ-UONOGXRCSA-N 431.375 0.724 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833530154 MWWKLCKYKYSSDX-INIZCTEOSA-N 441.960 0.517 50 20 ICGD Cc1cc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833979885 VEPBAMOLGGVKHA-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798377 NQQQIROHQMLMJG-MWTRTKDXSA-N 427.354 0.598 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835901859 WZGMJYJKFZIXGO-SQGPQFPESA-N 433.977 0.719 50 20 ICGD O=C(CC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929165 DHWQYJWRDWAOLT-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C(F)F)CC2)CC1 1837680093 PTXBJJNEYIPEPF-UHFFFAOYSA-N 425.436 0.562 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717811 ORDMMFMVKKGMAH-PXNSSMCTSA-N 438.601 0.827 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792998 RUSKJCHEJMNJFI-YVEFUNNKSA-N 429.861 0.795 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155510 VPMGBJSFCCHGKK-RTBURBONSA-N 446.331 0.901 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840149507 RJDAOELSULZVHE-KBXCAEBGSA-N 448.303 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840152000 TXQIZOCPKICMJJ-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1840156585 WNARZRKXXIBVIX-JTDSTZFVSA-N 428.917 0.229 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437534 RDHVPKCJNFWCNZ-YLJYHZDGSA-N 442.944 0.290 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)C(C)(C)C)C1)NC(=O)NCc1ccccc1 1841315965 RJUICDPGBFHZSM-LJQANCHMSA-N 445.564 0.943 50 20 ICGD COC1(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CN(C(=O)OC(C)(C)C)C1 1841351166 IEFCVIGHGLZWCQ-AWEZNQCLSA-N 445.944 0.816 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842735637 QJQARAOBHPQKNN-STQMWFEESA-N 428.917 0.601 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012289 ZKWZHPGFBWPVOE-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@](C)(Cl)CCl)C1 1845173604 XTHSFXQGRFKKPR-RHSMWYFYSA-N 430.336 0.897 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846176723 ZNSDRTHQTGWQJA-SECBINFHSA-N 431.312 0.439 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1846385334 RBYCLMSRWNRYJP-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](C)CBr)c(=O)nc1O 1847502270 NQNLHORMMYTOLM-WXHSDQCUSA-N 427.299 0.490 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1847601485 RRRKIRWZMQJZNK-GHDARCQNSA-N 428.533 0.857 50 20 ICGD O=C(COC(=O)CCn1cnc2sccc2c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 12873290 NQLDDZIYHHRDGM-UHFFFAOYSA-N 445.413 0.761 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1c(=O)cnc2ccccc21 15314787 KAPHVTGOPFNSAP-UHFFFAOYSA-N 434.500 0.756 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 726076873 HSLIBRHPHVHAKF-UHFFFAOYSA-N 430.552 0.624 50 20 ICGD Cc1ccc([C@H](CNC(=O)NNC(=O)CNC(=O)c2cccs2)N2CCOCC2)o1 726089785 XRYJJIFYEIZKQZ-AWEZNQCLSA-N 435.506 0.783 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 728510710 RFFYHULMGODILG-UHFFFAOYSA-N 443.384 0.726 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)cnc2n(C)c1=O 728975138 GHBVGESPYIZFHK-UHFFFAOYSA-N 439.400 0.385 50 20 ICGD O=C(COC(=O)Cn1cc(Br)cn1)NNC(=O)c1cccc([N+](=O)[O-])c1 732329378 LUGMQLJBTGSAKR-UHFFFAOYSA-N 426.183 0.558 50 20 ICGD Cn1c(NNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 733261056 IKSFKBMXGAJBBB-UHFFFAOYSA-N 425.405 0.784 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2 742034009 ISDKZOGAJSBZEA-JTQLQIEISA-N 425.536 0.715 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCOc1ccccc1 747180583 IRCAVUHMZOCQLN-UHFFFAOYSA-N 436.490 0.276 50 20 ICGD O=C(NCCCNC(=O)c1cccs1)NNC(=O)c1csc(N2CCOCC2)n1 748824710 MVZZUFRGBSVYPZ-UHFFFAOYSA-N 438.535 0.805 50 20 ICGD COc1cc(CN2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc(OC)c1 755140587 VUMDRGSAEVWHLE-OAHLLOKOSA-N 445.476 0.632 50 20 ICGD O=C(NCCCN1CCN(Cc2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758684505 MFXOVSVZCCUQKX-UHFFFAOYSA-N 439.520 0.558 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc2ccccc2nc1Br 760303834 VOFVBZSLFOAXRE-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(C)=O)c1 763515771 ALPKCUZJPLZTDB-UHFFFAOYSA-N 425.511 0.423 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cccc(C)c2)c2ccccc2O1 763618460 AMFVQFMLOXJDSX-QGZVFWFLSA-N 426.429 0.061 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2)S(C)(=O)=O 764004304 PJWKZFYATAOSKP-UHFFFAOYSA-N 448.457 0.253 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)nc1 764097541 FOGLRHGUCLPZNQ-UHFFFAOYSA-N 436.808 0.939 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c(O)c1 764104924 IVICNZVNTSIMHL-UHFFFAOYSA-N 425.489 0.848 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 764132419 VFPUUKTWXSMYGU-UHFFFAOYSA-N 438.437 0.200 50 20 ICGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)c2ccoc2)c(OC)c1 764163564 IWGVTTIABPTFCI-UHFFFAOYSA-N 443.416 0.950 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 764226677 KLUMVKFNOHEURB-CYBMUJFWSA-N 425.511 0.091 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3o2)cc1 764331319 UFDPOJNMIXHYLG-UHFFFAOYSA-N 430.442 0.882 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1=O 765323905 VEPLPBLFFHCCGS-UHFFFAOYSA-N 447.492 0.635 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)n[nH]2)cc1OC 765599018 OSJQWVCIPSFVHS-UHFFFAOYSA-N 442.388 0.625 50 20 ICGD CS(=O)(=O)[C@H]1CCCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 767760952 UWSTVJNNERPXEK-LBPRGKRZSA-N 431.540 0.233 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(C)c1 767851245 PQHFIDRRDQFFTE-UHFFFAOYSA-N 427.342 0.992 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 767894076 RXRWSAVZJRJPQS-UHFFFAOYSA-N 440.504 0.694 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)ccnc12 769841744 ZMMWNMJNUGOWPY-UHFFFAOYSA-N 439.428 0.761 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CSCC(=O)N2CCOCC2)C1 773411514 NCTVLUZTEQIEOB-CQSZACIVSA-N 444.554 0.373 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)cc1Br 777517749 PTXLPDYZIHRPCA-UHFFFAOYSA-N 435.300 0.293 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C(=O)N1c1cnn(C)c1 793062782 MYFPZVQZBSPCSD-XJKSGUPXSA-N 443.464 0.171 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)c1C 797001243 ZWCHMHUMYWYDGF-UHFFFAOYSA-N 437.453 0.772 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC 799519175 QAQZPOHREBJPRX-UHFFFAOYSA-N 443.503 0.382 50 20 ICGD CS(=O)(=O)NC(=O)CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 800552682 CHJJNBWRQPZCHI-FOWTUZBSSA-N 440.485 0.953 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(OC)cc2OC)cn1C 808089644 VSEBHEASDPEXTD-UHFFFAOYSA-N 439.446 0.411 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)cc1 810386729 OZVKDNWMLLJLKT-UHFFFAOYSA-N 431.355 0.701 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810387221 LMGVUFLHVQHMQY-CYBMUJFWSA-N 427.417 0.883 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1C 810572156 LNGIFUHFEBCESC-UHFFFAOYSA-N 447.517 0.171 50 20 ICGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1cccc(Br)c1 811686219 QWLKHDPRGXADHJ-UHFFFAOYSA-N 428.330 0.295 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 814344171 YHDRNAJWSFGMJC-IUODEOHRSA-N 426.451 0.322 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(C(F)(F)F)c1 815691689 YDKGHYRJBSCKMG-VIFPVBQESA-N 426.355 0.654 50 20 ICGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815691750 ACHWREOJHQQVRF-CQSZACIVSA-N 428.449 0.584 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(CCN2CCCCC2)cc1 815692009 HNRCOPHQBANEHZ-QGZVFWFLSA-N 439.520 0.655 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 838616339 GGIAQKZHOFDFOE-UHFFFAOYSA-N 430.812 0.613 50 20 ICGD C=CCNC(=S)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 891387479 CWYPGXZPXFHBEF-UHFFFAOYSA-N 427.552 0.128 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 917056940 FGZHTGVETFDDCG-UHFFFAOYSA-N 445.544 0.701 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 919316071 UGZZKWDFYVGQSC-UHFFFAOYSA-N 429.454 0.786 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2C#N)cc1 919778673 GUOYNHFBCXXDQM-CYBMUJFWSA-N 431.474 0.937 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)COc2ccccc2C#N)cc1 919778674 GUOYNHFBCXXDQM-ZDUSSCGKSA-N 431.474 0.937 50 20 ICGD O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1 921304691 RODQFZBZMVROQT-SJORKVTESA-N 430.486 0.005 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(C[S@@](C)=O)cc2)c2ccccc2c1=O 1329248395 MGRBMKUYQMWQJY-SSEXGKCCSA-N 427.486 0.956 50 20 ICGD Cn1c(=O)cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 1338498461 DWSBACPTVZXXQK-SFHVURJKSA-N 437.408 0.683 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1CC(c2ccccc2)=NN1 1781447450 YTKKSAAAHRMWDL-JPAWQOSXSA-N 448.951 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1782243893 HDKLASFAEDWJTP-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=COCC2)C1 1782728710 CMAOALVUHRJVJR-UYVYXKLWSA-N 443.504 0.939 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1785107564 MJJZUTHFGFLUBB-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217816 TWDSEXGQDNVPDZ-MXAVVETBSA-N 429.861 0.025 50 20 ICGD Cc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787619971 OSUUSLGWTUKMNA-IEZWGBDMSA-N 428.319 0.643 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(Cl)c1 1789523410 UXVBZCHJYOCQMM-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791683089 QGQPXASMHVKXAZ-CAMMJAKZSA-N 434.537 0.811 50 20 ICGD CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1794144133 PEPIXKZBPRLKIN-XGUBFFRZSA-N 430.933 0.893 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2)c1cccc(B(O)O)c1 1795740202 DPLGDMGFXFLPTN-CCWDJLKJSA-N 428.681 0.537 50 20 ICGD Cc1cccn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c12 1796193166 PWESSMHWJFQWRT-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cnccc2n1 1796894034 ULJVDGVQMBKZPB-VPTLXERWSA-N 440.504 0.206 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797218393 KBFWSTUOFLTVKD-IBEHDNSVSA-N 445.944 0.433 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC2(CC1)OCCO2 1800383289 XJNGHBSZOPDKFW-YVSFHVDLSA-N 430.929 0.763 50 20 ICGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N(CC)CC 1801010602 KXIUKUAREURGRL-AXVVYFOYSA-N 425.574 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2ncccn2)[C@H]1c1cccnc1 1804696914 LXAWGPXYSLWJDY-HTAPYJJXSA-N 439.520 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncccn1 1805776736 QLVSLBOMXIKBCW-HKUYNNGSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(F)(F)Cl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374397 KEKCIRAKJUYGBU-HOCLYGCPSA-N 437.639 0.913 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807666215 WDLIYCFJCYFVBT-DENIHFKCSA-N 447.304 0.286 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978776 QLHIAAGUKJJNLD-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(F)nc1 1810692893 ULVIGGUGERCTEA-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1817121524 MBTMEGHKUFZLJF-XUOSJQGZSA-N 426.821 0.029 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cc2n(n1)CCCO2 1819112158 CWBBWYMXDVOXBA-BXKDBHETSA-N 425.898 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1822412454 RACGXIWNPUXRCP-INIZCTEOSA-N 428.497 0.808 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824398377 SFFVOHJZRYXHAN-JXFKEZNVSA-N 443.353 0.514 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825636082 QZVUBYROUVCMDM-SFYZADRCSA-N 444.311 0.390 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCCC3)sc2C1 1828406198 QKYWMCVSZUHJCP-CQSZACIVSA-N 436.582 0.914 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1830542786 DSLJIXAEVRHSJX-QGTPRVQTSA-N 432.359 0.616 50 20 ICGD O=C(c1cccc2cnccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731578 MKAAACICBZNLBP-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831656316 CYQCFRUGYKSRFV-DNVCBOLYSA-N 432.949 0.223 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nc2nccn12 1833312570 YDDMIBFFRXOXBN-GOSISDBHSA-N 448.955 0.823 50 20 ICGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)O1 1833513515 ZAXNYXSFZNCZPZ-STQMWFEESA-N 435.294 0.357 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nc1 1834821740 WJWDHYATPRMBCV-GOSISDBHSA-N 442.310 0.945 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@@H]1Cc2ccccc2CN1 1835057960 QZAVNDBXNXOWQS-LEWJYISDSA-N 448.995 0.872 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835379293 NYVZGDAOKXDWCW-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835451557 WOILPICCIBKBLP-MRXNPFEDSA-N 430.933 0.000 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926684 YYMBXIACLJBDET-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD O=C(CCc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836053191 WVRIWJVUXVNJSI-DOTOQJQBSA-N 445.289 0.556 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064766 BFXZKGZHQHJGHG-DYVFJYSZSA-N 429.315 0.202 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720577 XJUBOEBOLIXINX-SFHVURJKSA-N 425.913 0.928 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3csnn3)CC2)CC1 1836942485 WINJSMSNECUXOZ-UHFFFAOYSA-N 444.322 0.144 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838009836 VWUGDACOARQXSB-XLIONFOSSA-N 449.895 0.141 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838570649 HECSEXZEJNRRME-XLIONFOSSA-N 439.871 0.977 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199508 PFTFCSPKULOGIH-PBHICJAKSA-N 447.305 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1839963607 QFOXEGXLLDDWQQ-PBHICJAKSA-N 429.315 0.513 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1840481508 YKIIBDGRQVGRIF-FQEVSTJZSA-N 425.913 0.929 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc3nn[nH]c3c1)C2 1843417004 MUWQOGGSXREWFB-YDZHTSKRSA-N 434.460 0.909 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2=NO[C@H](c3ccccc3)C2)C1 1843862415 JFVQGTDRWXAIKD-FQEVSTJZSA-N 433.273 0.701 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(Cl)c3nncn3c2)C1 1844226048 PFNGTPNDLDXUFY-UHFFFAOYSA-N 439.668 0.193 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846070229 XHGRQIXXUJGTFZ-ZDUSSCGKSA-N 436.372 0.789 50 20 ICGD O=C1c2ccccc2C(=O)N1CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556341 IJXJMGFEVGGDRN-ULQDDVLXSA-N 433.892 0.864 50 20 ICGD CN(C)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 2644502 IADGWTISVCMTSL-UHFFFAOYSA-N 432.502 0.848 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccnc1N1CCOCC1 22079353 UDBUVZQDNRVFDS-UHFFFAOYSA-N 438.532 0.892 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 46582973 WFIHTNFOFOXUBO-UHFFFAOYSA-N 441.444 0.504 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cn3cnnn3)cc2)cc1 725906110 OQEJSRIKIKRUTB-UHFFFAOYSA-N 443.489 0.263 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)N1C(=O)NC2(CCCC2)C1=O 726618710 BGUOUXZDCBSLIB-GFCCVEGCSA-N 426.433 0.592 50 20 ICGD COCCOCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 728752680 PYSFBJNGCQDPDW-UHFFFAOYSA-N 442.538 0.858 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)COc2ccccc2F)CC1 729220803 AAKWDBUOSXOIPY-UHFFFAOYSA-N 444.467 0.832 50 20 ICGD CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 729613716 GLPGEDZJJYGLRX-UHFFFAOYSA-N 438.444 0.915 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 732304097 HWHLQBXSZHRLQM-FQEVSTJZSA-N 428.470 0.927 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 734241410 ODSRVBXLHVMLFU-UHFFFAOYSA-N 449.555 0.309 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCNC(=O)N1CCc2ccccc2C1 735660180 ZRSHNLVXIQIXJE-UHFFFAOYSA-N 448.524 1.000 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 740812451 JPIMAQUISXSNPH-UHFFFAOYSA-N 448.567 0.331 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741176207 STLKCVZIWJXECQ-INIZCTEOSA-N 436.511 0.856 50 20 ICGD O=C(O)COc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 743435897 NTROFERAJBAJLP-JTQLQIEISA-N 434.268 0.733 50 20 ICGD O=C(Cn1nnc(-c2ccccc2)n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619133 JBZHQKAJOVKTLO-UHFFFAOYSA-N 443.489 0.504 50 20 ICGD CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1 745515804 AJHQTXMOEQREDO-OAHLLOKOSA-N 445.432 0.038 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746556080 METBDFMBBRUAJP-UHFFFAOYSA-N 426.458 0.530 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 747108295 XHJGOUNKHKYFDF-UHFFFAOYSA-N 434.478 0.424 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 753025976 SBBMLUJMOPQKBK-XCLFUZPHSA-N 433.465 0.515 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(C)c1 757715761 ODEBTHQNJNTRBX-UHFFFAOYSA-N 449.489 0.181 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 759086600 IPHVBWDDOWSJTA-SFHVURJKSA-N 437.408 0.683 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc3nccnc3c2)CC1 760291861 KZMYJYNICIDJMY-UHFFFAOYSA-N 428.478 0.113 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC 763550766 RIFKYGVHLVODSU-SNVBAGLBSA-N 428.401 0.823 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763727291 BOAAAZJXBDUYQN-KRWDZBQOSA-N 426.477 0.601 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 763814479 VGENINSQDHDCGL-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc(S(C)(=O)=O)c1 763961522 GYOVPWHZVDTASF-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cccc1C(=O)N1CCSCC1 764268283 PRXRMWVGXAHXME-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1)C(=O)C(F)(F)F 764352775 DJTUUSWGBYDSBO-UHFFFAOYSA-N 437.378 0.931 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc(Br)c1F 764662072 GIZDGGSERKAQMZ-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD COc1cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)sc1S(N)(=O)=O 765320096 LAOCRXICFLRWQI-UHFFFAOYSA-N 436.512 0.470 50 20 ICGD CC[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725020 OKROYEKNIIRLOY-LBPRGKRZSA-N 448.867 0.092 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1C#N 766547416 JZZAZPFXHZDCRF-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)noc3C)CC2)cc1 766635843 GSWUBRQGEDPMQI-UHFFFAOYSA-N 435.506 0.367 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)NCCSC)cc1OC 769764728 DSWGFPLABCCEMK-UHFFFAOYSA-N 436.581 0.231 50 20 ICGD CN(C)C(=O)CN1CCC(NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770395954 OQBJQRRSADANHG-UHFFFAOYSA-N 433.517 0.466 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1 770966419 TVNGPMRPVHZNAJ-NSHDSACASA-N 425.515 0.792 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 773727336 WSNRJWKNNNMUMK-STQMWFEESA-N 428.449 0.816 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1ccccn1 777472651 VJEPHYIYECTTGR-DKGMDFAASA-N 438.531 0.918 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CBr)CC1 782443890 AQKMDSSKVBNBDF-UHFFFAOYSA-N 426.358 0.395 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C 782896612 KTRAXWNUSIYBRC-UHFFFAOYSA-N 448.505 0.870 50 20 ICGD O=C1COc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2N1 784217654 WNIQYTUNRBATSA-UHFFFAOYSA-N 445.457 0.540 50 20 ICGD CN(C)NC(=O)Nc1cccc(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 788093299 TVKXYYDNAXYPOQ-UHFFFAOYSA-N 433.450 0.433 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 788181003 IYIJQKDAXHILSD-UHFFFAOYSA-N 431.478 0.873 50 20 ICGD CCOc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)CN2CCCC2=O)cc1 789858128 PEMWJIBZPWLLKN-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cnc1C 793392394 KYYJAYFEWKRJBP-UHFFFAOYSA-N 434.478 0.193 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c(OC)cc1Cl 802081779 BKIGKBZCDAGLBP-CYBMUJFWSA-N 441.872 0.637 50 20 ICGD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 802566948 JFEHKDDQNOHGPX-NSHDSACASA-N 437.453 0.220 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c(C)cc1Br 806976274 LINYDPNIEHTKHT-UHFFFAOYSA-N 438.238 0.975 50 20 ICGD O=C(COC(=O)Cn1c(=O)nc(O)c2ccccc21)NNC(=O)c1cccc(Cl)c1 809006183 YAMGOKCVVNJLIL-UHFFFAOYSA-N 430.804 0.760 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(OCC(F)F)c1 810386877 VPYJNNOZERGZLW-OAHLLOKOSA-N 448.382 0.519 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1S(N)(=O)=O 812431529 KPTADTHNKLDFES-UHFFFAOYSA-N 446.489 0.302 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccn2C)nnn1CCOc1ccc(F)cc1 815567285 SWBDPNSKGPEDIU-UHFFFAOYSA-N 429.412 0.543 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 913584112 NJMCPALQIDHVJT-LLVKDONJSA-N 445.457 0.472 50 20 ICGD CC(C)CN1CCO[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 915923014 TUIIUIKYKOWUDE-OAQYLSRUSA-N 446.596 0.886 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 916221707 FFYYGGIEZKQXIR-AWEZNQCLSA-N 445.505 0.750 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CN2CCCC2=O)(c2ccccc2)CC1 920435075 BQGWGBZCLYJEPX-UHFFFAOYSA-N 436.534 0.140 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 1328430684 MKCATKIXRQXQGX-LLVKDONJSA-N 439.412 0.328 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2s1 1777986850 AOEMYRAVRJFUFK-FZKQIMNGSA-N 440.909 0.108 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1779034988 YTRJHOFNNRUBRY-QRQCRPRQSA-N 438.488 0.327 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781219072 VHQCSLLXOBCMSR-AUUYWEPGSA-N 440.953 0.739 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1783933275 UGQVCJHHTKFJKL-QFIPXVFZSA-N 442.520 0.080 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n1 1784090914 QWWTXKQVRPGINA-VTPLQMEGSA-N 442.856 0.191 50 20 ICGD O=C(CCCn1cccc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784565811 KTGZKOINMZUXAT-QFIPXVFZSA-N 425.294 0.092 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccs3)[C@H]2C1 1786191905 ICUWXNRTXBUWBY-CQDKDKBSSA-N 430.490 0.049 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786981082 PVFPLLNMAZVDGR-JQFCIGGWSA-N 432.669 0.520 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21 1788609892 BNBONCOEKCXCSR-JVPBZIDWSA-N 441.463 0.731 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1788663327 AKIJHPRYZJJANW-UHFFFAOYSA-N 437.305 0.886 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4N3)[C@H]2C1 1790683748 WNQSQFAYSLWTHM-ZULIPRJHSA-N 443.548 0.376 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791773747 VVHCBKDIDGTPMZ-QCQGSNGOSA-N 429.366 0.637 50 20 ICGD Cc1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1793511909 UCPFZVQCZHWRBJ-FVCICTRLSA-N 429.502 0.572 50 20 ICGD O=C(CCOc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795118448 MJFWSYDBHPVBKK-OPMZPASUSA-N 438.289 0.039 50 20 ICGD N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1796074012 YSGORDGXYWKNIX-IYWMVGAKSA-N 441.724 0.972 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(F)(F)C1)C2 1796440259 ORTJXENMOUDOPC-BWMNKHHJSA-N 437.447 0.755 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(OC)c1 1800414731 AGPAKYRPXJYRQK-MQJTVSLUSA-N 440.924 0.826 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800575669 WMVRMUBQKLOGGX-RBSOHGRLSA-N 426.322 0.396 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443645 PFXNCRMFULQYQK-XFMPKHEZSA-N 426.311 0.971 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807384782 YQCPTLJHJASHHF-SQGPQFPESA-N 442.907 0.973 50 20 ICGD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810137623 IAPNPCRKESQADX-BXWWLFJKSA-N 438.488 0.950 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1813030811 GNABANPOFSZKSJ-JYYAWHABSA-N 442.900 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813437305 WCZMWQMTOBQIOB-UTKZUKDTSA-N 442.524 0.142 50 20 ICGD CC(C)(O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817060583 PLZSREIDTICGON-HNNXBMFYSA-N 429.481 0.875 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817475866 XGTJOTJLXONUFU-APWZRJJASA-N 438.249 0.722 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)O1 1818731533 RCUMMPNIGNBBOB-DJSGYFEHSA-N 429.307 0.616 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1 1820306449 IMPLXNBUPMRMSO-SFHVURJKSA-N 432.249 0.909 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831646564 LFQXDVVERRCAHH-AUUYWEPGSA-N 436.900 0.602 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831656574 GOJKEUHDFAOUSZ-LRDDRELGSA-N 443.850 0.529 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832522497 FNVUDBDJMFQVMV-TXTJOAKRSA-N 432.945 0.495 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1F 1833675137 SUNHVPVEDHCQON-WFASDCNBSA-N 437.241 0.618 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnsn3)CC2)CC1 1833980794 ZOQKYBAAAUTERD-UHFFFAOYSA-N 437.570 0.096 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834703400 TVEZKQUIVAYZDN-UHFFFAOYSA-N 426.993 0.663 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835621916 YLVWDQUKWNJGJH-PIGZYNQJSA-N 445.314 0.666 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1838835273 NSWVVCGFDKMOHG-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839553880 DTXHSUFEWGTQBH-KUHUBIRLSA-N 440.859 0.143 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839679532 ILIRZJGYSZMXHX-ABSDTBQOSA-N 433.977 0.675 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275970 SECWOPJABKUCAS-FAYHIZQSSA-N 433.343 0.777 50 20 ICGD N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ccc1F 1844264932 ZFOTWVJMSLQFAC-UHFFFAOYSA-N 436.447 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2=Cc3ccccc3NC(=O)C2)C1 1844643312 ALUMMULKKRMZTA-UHFFFAOYSA-N 439.516 0.989 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1846361570 BLPNDDITJHUWMA-HNNXBMFYSA-N 429.926 0.697 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 110884638 HOBHENUQESSNGI-UHFFFAOYSA-N 448.549 0.697 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 726766777 LJJQYVXNXLXWPU-UHFFFAOYSA-N 425.488 0.864 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1Cl 728509906 RZEFDTYLLJQGEV-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD CCOc1cccc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 730266994 ZXHQMMAIXRDEQO-UHFFFAOYSA-N 428.449 0.972 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCS(=O)CC2)cc1 731006158 XPPMSIXJSXKYRV-VBKFSLOCSA-N 441.513 0.932 50 20 ICGD CC(C)OCCCn1c(NNC(=O)c2cn(C)c(=O)nc2O)nc2ccccc2c1=O 733265962 OACSXWWYUZOWBP-UHFFFAOYSA-N 428.449 0.768 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 741763206 YLNVAFVXURMGKX-LLVKDONJSA-N 440.526 0.368 50 20 ICGD O=C(CCNC(=O)NNC(=O)c1cccc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 743685213 AHHGBNPTHREVHN-GFCCVEGCSA-N 447.311 0.087 50 20 ICGD O=C(CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 746092442 PECRNPYWGZRPJU-QURGRASLSA-N 440.504 0.263 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc4ccccc4o3)c2)CCN1 749473679 KVNBXRJRNZGNEE-UHFFFAOYSA-N 442.453 0.628 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 749564290 XCDAWISHSVOTIF-ZDUSSCGKSA-N 425.283 0.726 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1C[C@@H](C)O[C@H](C)C1 751292842 BEMBIYCCDQTSAB-HSMVNMDESA-N 446.957 0.882 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2=Cc3ccccc3OC2)CC1 754905790 FHVUPDGDARDGKK-UHFFFAOYSA-N 429.502 0.937 50 20 ICGD CCN1CCN(c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c2)CC1 755453269 JOEZLRYEJYZJBC-AWEZNQCLSA-N 426.543 0.227 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755533247 IHBHMIDDYXSCGO-YPMHNXCESA-N 432.524 0.351 50 20 ICGD CC(C)(C)c1nc(CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)no1 755946710 PCDJHYRXQSOBMV-UHFFFAOYSA-N 425.493 0.818 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1coc(S(N)(=O)=O)c1 757772930 TTYRGMPUXRWNNH-UHFFFAOYSA-N 431.810 0.207 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 758056779 SVDIBBZMRICGNA-RHSMWYFYSA-N 432.502 0.113 50 20 ICGD C[C@@H]1Cc2cc(C(=O)NNc3nccc(N4CCOCC4)n3)ccc2N1S(C)(=O)=O 762858139 ZWNIIGKTQKMZPP-CYBMUJFWSA-N 432.506 0.781 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570390 DYIMDZJYBYFRGT-KUHUBIRLSA-N 440.456 0.838 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)n2)cc1 763573832 UWLOONCZXYFADT-QGZVFWFLSA-N 447.411 0.124 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 763618905 IDLDNRBYULSPDJ-UHFFFAOYSA-N 428.445 0.627 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 764203454 MGOIIZQRIFGUIY-UHFFFAOYSA-N 433.465 0.962 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 764230328 HGEBTRDRWBQIIE-SECBINFHSA-N 439.519 0.199 50 20 ICGD COCCc1cc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)n(C)n1 764271192 XMQOVQFOQNMDMU-UHFFFAOYSA-N 442.245 0.910 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 764281167 KMBQNOXIJGUYQF-UHFFFAOYSA-N 441.473 0.809 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)c2)C1=O 764366738 PTJWBKLWEZWJDA-UHFFFAOYSA-N 439.428 0.388 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 764399963 OIVXHJSPDFFDLU-AWEZNQCLSA-N 444.492 0.809 50 20 ICGD CC(C)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 764546499 DMPIAPPGZXLGRI-UHFFFAOYSA-N 428.486 0.242 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnn(-c3ccc(Cl)cc3)c2)n(C)c1=O 764817200 KFIOQDLCEWQDFD-UHFFFAOYSA-N 440.851 0.423 50 20 ICGD COc1ccc(C)nc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 765290896 JOMNODPNNKNSRJ-UHFFFAOYSA-N 449.489 0.886 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 767089053 RQKHEENLNLUNDB-INIZCTEOSA-N 440.566 0.974 50 20 ICGD CCc1[nH]nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 768289974 AYZDMQRCMVVUCC-UHFFFAOYSA-N 429.437 0.099 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776056038 KGRQNBIWFLNTFK-GFCCVEGCSA-N 444.514 0.700 50 20 ICGD O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccccc1Cl 779623183 YSCHROQVCCTGRU-AWEZNQCLSA-N 444.941 0.227 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 785614135 QLORCEXYXBLUNA-FQEVSTJZSA-N 440.500 0.204 50 20 ICGD Cc1nc(Cn2cc(C(=O)NN(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)no1 787514020 IKUSBBGELUFGSE-UHFFFAOYSA-N 449.472 0.267 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 788166562 PXIALKREYJDDAU-UHFFFAOYSA-N 429.930 0.726 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Br 788481451 QNXWKUJZZKMULB-UHFFFAOYSA-N 448.262 0.920 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NCC3CC3)c2)cc1 788491172 BWOZQBPTPITXSB-UHFFFAOYSA-N 446.485 0.783 50 20 ICGD COc1cc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1O 789260379 SKTOWXLYUXMUOG-QGZVFWFLSA-N 446.412 0.483 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 789334783 NMLUDYKMDXORJD-SJORKVTESA-N 440.522 0.609 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 802000175 MGCXAGKQXGUKTH-KRWDZBQOSA-N 425.392 0.733 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nccnc2c1Br 806673830 FFSIJBWLJBKMFX-SSDOTTSWSA-N 431.272 0.483 50 20 ICGD COc1cccc2c(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)n[nH]c12 809682808 DCMOGVNVGRXPGQ-UHFFFAOYSA-N 445.505 0.660 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nccnc2OC)cc1OCC 811074804 TYGNYJBPRYGSHD-UHFFFAOYSA-N 425.467 0.704 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)cc1OC 814654426 KXQWWTPODYPPRQ-UHFFFAOYSA-N 436.490 0.244 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 815630660 RFNFZNXEPAQMIA-UHFFFAOYSA-N 443.416 0.417 50 20 ICGD O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NNc2nc[nH]n2)cc1 816631723 BVCIQXQRDIJMOM-ZDUSSCGKSA-N 428.478 0.984 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)CNC(=O)c2cccs2)c1 913445841 YCVVJOVXMWEMDJ-UHFFFAOYSA-N 441.560 0.746 50 20 ICGD Cc1ccn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc2c1 915547660 ZZNIVODBNWSZPH-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD COc1cccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 915789011 AKRYXFKQJCGRLH-UHFFFAOYSA-N 440.865 0.187 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c2ccccc2c1=O 915923089 WGWNCZXMQQIKAS-OAHLLOKOSA-N 430.509 0.717 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CCN(C4CC4)C3)nc2)CC1 916577747 FGPSMPOYEWARDI-HNNXBMFYSA-N 437.570 0.128 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)CN2CCCC2)cc1 918224284 ZTSBBGDKKYRKNH-MRXNPFEDSA-N 425.555 0.678 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 1116085128 XSPGXUCQUNFRRY-UHFFFAOYSA-N 437.497 0.646 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 1317959603 ZAWXSAFPEQXANL-SECBINFHSA-N 432.384 0.417 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)n1 1779237115 SZJIGTXURCEAKY-GOSISDBHSA-N 431.320 0.920 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779529372 NOLLDIJTNCLXAV-ABAIWWIYSA-N 431.218 0.309 50 20 ICGD N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)c1 1780347379 DJCDTVLQXIPVAM-ZJSXRUAMSA-N 447.300 0.679 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780807513 HIYRNAIYLBKYPR-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@]2(C)CC2(F)F)C1 1783146080 WWOZFNPQRUPLNM-MDASCCDHSA-N 430.496 0.919 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1783879809 BBGPYPBTCWOOSR-OLPIVMHESA-N 427.929 0.471 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784266747 CDCWCFSNQRUKFG-JAMLUQCHSA-N 441.492 0.306 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406095 QNXDYYYWTAUWTK-MXAVVETBSA-N 445.383 0.778 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786726301 YEHGEQHBRVEKSC-JONQDZQNSA-N 432.359 0.472 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979847 TZTBHGRKBNDHBV-MDKPJZGXSA-N 448.288 0.150 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442430 VLVYVOVFPIXGAE-ZPFDUUQYSA-N 443.298 0.655 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789866865 QCWDVAHQKGVFIU-YGJAXBLXSA-N 433.933 0.827 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925670 GZVPYXHLPAJQSL-MRBYEJRBSA-N 439.351 0.141 50 20 ICGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)CC1 1795446737 LTCJODCEYRROSR-LORHWOILSA-N 435.396 0.450 50 20 ICGD Cc1nc2ccccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796838663 NFBCKNKZWYZRHF-CWPLJXCYSA-N 442.520 0.219 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164771 YLIJGFYKFSACTA-XPCVCDNBSA-N 432.315 0.449 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC=O 1800094962 HNTKKNAMQDNGFG-MHEUCROKSA-N 432.433 0.906 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Br)CC1 1800174287 RHVWFHFHHZDDMQ-ZSBIGDGJSA-N 436.310 0.864 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800785304 VMSZSBFHGBXQEM-YIDVYQOGSA-N 445.944 0.575 50 20 ICGD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1802572150 AEFPELNKULOGEM-DENIHFKCSA-N 444.580 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cncnc2)[C@H]1c1cccnc1 1804654395 QJKUKVPGZUETIV-XMSQKQJNSA-N 439.520 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncc(F)c1 1805845350 LCWVFBIEZOQANY-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807320105 NNNDQDJNRCCNBI-DENIHFKCSA-N 438.337 0.469 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1807369519 MSWKFLAELDDIDA-GCJKJVERSA-N 448.288 0.620 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@]2(C)CCCN2)[C@@H]1c1cccnc1 1808096633 WRLIZZWCCRCSOD-PIPMEXSNSA-N 430.553 0.603 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966570 GDHYZMNOJZAORX-UHFFFAOYSA-N 442.350 0.872 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H](F)Br)CC2)C1 1809980815 VTDHIZBJWOSLCI-HNNXBMFYSA-N 441.106 0.902 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C(=O)C2CC2)[C@H]1c1cccnc1 1810294038 HMVWSLKFXHZJEN-YJBOKZPZSA-N 436.472 0.379 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)O)[C@H]1c1cccnc1 1812855392 CGJUPWZPBRBCEN-OZLXWWKBSA-N 426.477 0.602 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(Cl)Cl 1813077198 ZZAOTAQEBPSCRE-ZBFHGGJFSA-N 436.104 0.885 50 20 ICGD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1815648397 XBFRWXFHMCBJKL-GXSJLCMTSA-N 426.882 0.678 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668354 TUQDTVFKXPITGY-CYBMUJFWSA-N 436.545 0.805 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470390 QHKVHTKMHJVVAC-KRWDZBQOSA-N 441.297 0.310 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822369938 JSNWZTOLEIADFP-PWSUYJOCSA-N 426.861 0.207 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080333 BKZPUOJSFLKKAM-VMPCVLLUSA-N 437.522 0.547 50 20 ICGD O=C(c1ccnnc1O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052727 YNSKDCNRWYNYSI-LJQANCHMSA-N 438.293 0.409 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829864958 POFSNEAQJAZDRF-QAPCUYQASA-N 432.359 0.570 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830431107 NJBKICAUQWVSSL-SFHVURJKSA-N 440.508 0.210 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535065 HYMPYUPJYZKFAO-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD O=C(c1ccnc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728793 YDBVCSGIJDRHGE-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1830953359 CGJHQNVJZWJRRB-RDJZCZTQSA-N 447.305 0.418 50 20 ICGD O=C(CSc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832701218 IQAONEXFJUEPMY-QAPCUYQASA-N 429.926 0.230 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1834843737 RCCINNNQGKGFHB-HSZRJFAPSA-N 446.548 0.449 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717641 ZRPDOCCOFNUZAR-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3nccn3C)CC2)CC1 1837538128 YLUBYZSSBYEVCO-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1O 1839473141 IIYSWUOEFCWZMH-QFBILLFUSA-N 443.859 0.955 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839988968 NJCDGDLAXQJBFW-KRWDZBQOSA-N 440.324 0.771 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1840151681 KYSAORPLTXXOMO-GHTZIAJQSA-N 440.924 0.948 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840187764 VOSTTYSBEPHNKQ-OXJNMPFZSA-N 442.343 0.961 50 20 ICGD N[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840187898 DERTUXUBOVPXDB-KDOFPFPSSA-N 431.320 0.732 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840493126 ATPPNYAWLLBJSB-IFIJOSMWSA-N 447.305 0.899 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845174559 OSAQHHOGYMRLKO-UHFFFAOYSA-N 435.289 0.439 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)C 15795101 QGZKYGXNJSIJQS-INIZCTEOSA-N 435.458 0.547 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c2ccccc21 26319253 RYDKMVXRZWFIRC-UHFFFAOYSA-N 430.442 0.616 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)N(C)C)cc1 726103489 RIGVAQLLMIRDRM-GFCCVEGCSA-N 437.478 0.351 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1C 726273807 NFXRUDCLMYYPDR-QGZVFWFLSA-N 447.513 0.998 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116859 IRLZHQWPVMPYAE-UHFFFAOYSA-N 440.551 0.083 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)n1 742037956 LHZXTXOBYHKYNX-UHFFFAOYSA-N 432.506 0.508 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745449889 XNWUCGRRPSALGI-FBVUGSABSA-N 449.847 0.195 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O 745692983 AUFHNQCKRXMPAF-BMIGLBTASA-N 443.884 0.565 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2scnc2C)cc1 746224488 NWKCBSRFNYQJDA-UHFFFAOYSA-N 426.476 0.368 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cn(C)nn1)N(S(C)(=O)=O)CC2 755573313 UHQIRFYFZWXNSZ-HNNXBMFYSA-N 436.494 0.232 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3ccncc3)c2)CC1 756357991 GYOVGEZKAXNDSG-UHFFFAOYSA-N 432.506 0.874 50 20 ICGD COC(=O)c1cncc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 757721018 KLNFIWDKCMEBAH-UHFFFAOYSA-N 435.462 0.650 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccc(F)cc2)c1=O 757781965 VBAJNOCSFLOLRZ-UHFFFAOYSA-N 426.426 0.264 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763549369 YXIQFSSNSAWIRU-UHFFFAOYSA-N 426.429 0.960 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cccc1-n1cnnn1 763686493 MPNKBGXRTIHVEA-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 763775090 KWHWINFOWVHRLC-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc2n1C 763809547 WPHOGTZCKCSYPG-UHFFFAOYSA-N 426.389 0.955 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc(OC)c1OC 763814140 QIMXJHRKOSBHRP-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763825129 QHTHZCFHBCWDOI-HNNXBMFYSA-N 425.445 0.411 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763839254 HRRFFNKSTWQOKM-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764085658 RHOKXMJFBDUTFH-NSHDSACASA-N 446.913 0.493 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)c1O 764130215 DHOMPKPNZCUIKW-UHFFFAOYSA-N 447.835 0.984 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764136091 NUTVMXZGQBLFPS-UHFFFAOYSA-N 440.500 0.899 50 20 ICGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764164433 PICOBUDJISOMJI-SFHVURJKSA-N 440.456 0.877 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)cn1)NC1CC1 764226663 PYUDAHASMWDBAI-UHFFFAOYSA-N 439.259 0.868 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)NC(C)(C)C 764268112 FJZYDGKJGIBAQI-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 764373056 IIWNAQULCZRBNK-UHFFFAOYSA-N 444.473 0.778 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 764435857 XZQBLJYXYMBBLR-AWEZNQCLSA-N 431.474 0.207 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1O 764751641 CZFHGAJQVTUJBN-UHFFFAOYSA-N 442.472 0.628 50 20 ICGD Cc1nn(C)c(=O)c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 765198259 LTSCTYKDWVKXRQ-UHFFFAOYSA-N 434.522 0.090 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n[nH]1 765592517 OCPVLYWGBUUCEQ-UHFFFAOYSA-N 449.427 0.106 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)n(C)c1=O 766644888 QPLKPAMEOUFDMT-UHFFFAOYSA-N 449.471 0.255 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 767240347 OKTCABBOZMHPEH-CALCHBBNSA-N 429.473 0.793 50 20 ICGD O=C(Nc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1)OCC(F)(F)F 769624923 FTWQWHUAHOTLKI-QMMMGPOBSA-N 439.368 0.699 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 771930102 MIPKBLYRJJWGQN-OLZOCXBDSA-N 431.536 0.946 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(OC)c(OC)c1 777596076 OVGJHVSSKXTVII-UHFFFAOYSA-N 443.503 0.625 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C 783522683 XVRNQTBJVFCOKU-KQHSUYLTSA-N 426.514 0.757 50 20 ICGD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784005081 ZAHAOCYFYQKEGN-UHFFFAOYSA-N 429.433 0.324 50 20 ICGD CCn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785061258 VDTJMWGDHUNWEW-UHFFFAOYSA-N 432.444 0.941 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 788177920 MIJUOMYNDIFCJF-UHFFFAOYSA-N 429.462 0.677 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[C@@H](C)O)cc1 789369521 FOQZBEPJVQDUHS-JLTOFOAXSA-N 444.513 0.894 50 20 ICGD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789811214 XMBRULUVHBNYGT-YOEHRIQHSA-N 431.470 0.749 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC2(CCOCC2)O1 790496918 PMCRXBWXWZQBLF-CYBMUJFWSA-N 425.511 0.604 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 792265731 IDWWAVONLIQVMG-KRWDZBQOSA-N 449.552 0.663 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)n1 792822351 YSQWXURTJNRCAT-CYBMUJFWSA-N 437.499 0.646 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCC(F)(F)C3)CC2)cc1 795180074 PIZKYCHJAIJICJ-HNNXBMFYSA-N 444.504 0.884 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1F 796991904 KPTNHXDTQFRSJD-AWEZNQCLSA-N 435.339 0.677 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)CCS(=O)(=O)C1 797537489 PJZKCTIOBUCXAU-GOSISDBHSA-N 444.941 0.309 50 20 ICGD CN(CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 798098177 REWRFRRTPUNGOB-UHFFFAOYSA-N 447.489 0.301 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1 801796010 DASLSINYTQVFQG-UHFFFAOYSA-N 449.489 0.757 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 801918355 KCSYAZUWAZOSLU-VIFPVBQESA-N 437.881 0.406 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 806979484 XBZFFWHBRWCYOG-UHFFFAOYSA-N 426.477 0.691 50 20 ICGD COCC1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCOCC1 813771768 GFVZWDFJRBBMQS-UHFFFAOYSA-N 433.553 0.972 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1OCC(F)F 815693288 RLGRFWPCWFXYCB-VIFPVBQESA-N 426.355 0.410 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)n[nH]2)C1 816880732 QTYNVWDPVXXRDB-QWHCGFSZSA-N 444.496 0.749 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817051503 LVJXUHJAMUEHQJ-ZDUSSCGKSA-N 438.597 0.441 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 819659364 UZSLZLNJXWLNNF-BLVKFPJESA-N 425.486 0.549 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Br)cc2)CC1 832765315 VSCQJXCEPVBDJC-UHFFFAOYSA-N 434.312 0.647 50 20 ICGD O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NNC(=O)CN1CCCC1=O 913471272 OHVSNBQHQANWHC-UHFFFAOYSA-N 436.515 0.861 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccncc2)o1 915059002 AKZKMAADSHKBMO-CYBMUJFWSA-N 436.446 0.466 50 20 ICGD N#Cc1ccc(NCCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nc1 916521310 ZLQGIHGJQCNVSR-UHFFFAOYSA-N 436.520 0.908 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(CC(=O)N(C)C)nn1 919925985 ALYXIRPKTFQFKX-SNVBAGLBSA-N 439.270 0.357 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc2c(c1)OCO2 920339451 HPZVTCLOKFDLCW-UHFFFAOYSA-N 436.402 0.453 50 20 ICGD CCNC(=O)NNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 920858779 AOZQVASTNGJQLJ-ZDUSSCGKSA-N 434.522 0.895 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2cncn2-c2ccccc2)=NN1c1ccc(F)cc1 1115833599 QZEJLQRCKRINCQ-QGZVFWFLSA-N 435.419 0.893 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNc1ncc(F)cn1 1116408490 MFYZJQHUDGTWAN-ZDUSSCGKSA-N 429.861 0.946 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778683598 QDHJPZMTRJJOQW-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC(C)n1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779032414 JIEOWYFTOIEDLK-NRFANRHFSA-N 441.492 0.220 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779180518 QSOQGLNWEQAWBL-MGPUTAFESA-N 449.584 0.276 50 20 ICGD CC(=O)Nc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)o1 1779365062 KFXHHIYIMKKLPH-ZBQZNYHESA-N 427.885 0.965 50 20 ICGD CO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098114 CFCJKPWXPWIMHS-RNODOKPDSA-N 435.433 0.999 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2)[C@@H](F)Br 1780777315 QRCFOBAVGNVJME-XNRPHZJLSA-N 432.294 0.873 50 20 ICGD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)(C1)C2 1781957130 OQCDYHHSXCKFHD-AMNTUMGASA-N 428.913 0.443 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782208168 FZPXLYAJYYQZRM-XHSVMWQWSA-N 449.342 0.900 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783354628 DGUUADBRZKYAFA-YGRLFVJLSA-N 444.248 0.668 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783924606 TXEQCTFNSWFONZ-JLZZUVOBSA-N 435.315 0.463 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(-n2nccn2)c1 1784090759 ABAXSGBMWVTIFK-WQCNXYOZSA-N 447.923 0.769 50 20 ICGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c(=O)nc1O 1785354772 WSEQVXAKNOURNM-ROUUACIJSA-N 447.319 0.324 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785693075 ZFYILWKYIDZQMV-XPCVCDNBSA-N 430.864 0.630 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785847745 GRZXLPCCSVPNNI-MNXVOIDGSA-N 427.299 0.949 50 20 ICGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786745823 BUPUBCBZCBZYGA-JYJNAYRXSA-N 432.359 0.473 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccn4cn3)[C@H]2C1 1788079345 ZVGHRXIHMKCMJT-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)c(F)c1 1789650504 NMNMEWFMOLBHSN-KNBMTAEXSA-N 444.243 0.552 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791229316 OPLCHGSXHRARGU-NYXISSTPSA-N 428.913 0.321 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(O)c1)C2)[C@@H](O)CCl 1792980436 OPXGYROHGHWXIO-JLUCKKNBSA-N 447.713 0.958 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2)c1cccc(B(O)O)c1 1795740335 UXLSPFAZAWJABA-YWVIFJGQSA-N 434.710 0.598 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](N)c1cccnc1 1796132470 WXLFKNBUKFSPBN-RCJHGTSTSA-N 437.504 0.422 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)no1 1803143244 XRSCHILPGGGYFE-HFTRVMKXSA-N 449.895 0.414 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807362757 IXWZLSJEUMWTNK-UTKZUKDTSA-N 447.304 0.680 50 20 ICGD CC(C)n1cnc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809971967 DZZRSDLZYDZVFC-UHFFFAOYSA-N 439.325 0.697 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1812864186 NVBMYTQSRSPZTA-PCBIJLKTSA-N 440.342 0.464 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1 1813071049 OHJMKWUTBYHNRX-JXFKEZNVSA-N 441.488 0.936 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1813171639 BUUOYSRDKXTRAT-IFXJQAMLSA-N 449.305 0.797 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCCN3C)sc2C1 1822599397 KJQJKMOSVFAQBF-HIFRSBDPSA-N 436.582 0.912 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1)n1cnnn1 1823013803 JUXDLQTWIPXPTC-MATHAZKKSA-N 432.279 0.993 50 20 ICGD Cn1cncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826037807 IKCHWSDAHOOKPA-SFHVURJKSA-N 439.520 0.966 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2)n1cnnn1 1826986521 FGAUWPGHUKPAMR-XSSZXYGBSA-N 432.279 0.993 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831646562 LDXRMTVMYNGACN-WFXMLNOXSA-N 438.956 0.815 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238355 BOGYTJCVEXFHBZ-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801327 YFATUPKMRUKJCR-QMHKHESXSA-N 427.354 0.598 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835079643 KNAWSMPVOKSURB-BPNCWPANSA-N 447.964 0.895 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835836633 SRCPJYJQYYOWRN-SQGPQFPESA-N 440.928 0.182 50 20 ICGD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)NC1CC1 1836717368 VFXSDGLXADPDNZ-LIMHQNJXSA-N 427.929 0.420 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccco3)CC2)CC1 1837392504 FNPUKCNDGHTIQI-UHFFFAOYSA-N 426.278 0.885 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838760454 SIRPAOMBFFEHNE-IFXJQAMLSA-N 443.932 0.357 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150335 JPZUYANYUWRERL-ZWKOTPCHSA-N 438.352 0.594 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839273142 CECQYGZQKGNGSV-WMLDXEAASA-N 431.804 0.905 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1839898527 FCSFYFSMVMWTOP-MLGOLLRUSA-N 433.299 0.179 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007164 QNUJYLHGFLHEPX-CKIVDRAYSA-N 444.912 0.040 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CCOC1 1841352933 UZSIVMPQUXSMKB-YJYMSZOUSA-N 431.917 0.473 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010357 HWICAMBYXGTUDH-UHFFFAOYSA-N 428.681 0.916 50 20 ICGD O=C(c1nnc(-c2ccccc2)o1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011554 PRQRNAKYKDRRCY-UHFFFAOYSA-N 432.245 0.547 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@@H]1O 1847601488 RRRKIRWZMQJZNK-OZIGNCPNSA-N 428.533 0.857 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 9889205 AILQQMKQJUIDDY-PABFRNLHSA-N 440.547 0.124 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(C2CC2)on1 25982873 ONFOMZLQYSQUJF-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 26737475 WFZDNVOKXRPGHW-UHFFFAOYSA-N 426.429 0.977 50 20 ICGD Cn1c(SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 726769228 JQQNMUGFEKGBGG-SECBINFHSA-N 430.537 0.153 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 730778893 PDQRQWUKQVWTSN-UHFFFAOYSA-N 441.412 0.951 50 20 ICGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732751494 PYTRZVLCGUXKHZ-HUUCEWRRSA-N 427.548 0.049 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 733515948 HEYVTQLGXSDHEZ-KRWDZBQOSA-N 426.408 0.909 50 20 ICGD Cn1c(=O)n(CCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc21 743831606 ZOOZFIPHMXEULG-UHFFFAOYSA-N 431.474 0.987 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744793392 CSTLTKWXUDAONL-INIZCTEOSA-N 436.490 0.457 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755533240 IHBHMIDDYXSCGO-WCQYABFASA-N 432.524 0.351 50 20 ICGD O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCN(S(=O)(=O)CBr)CC1 755894907 WOKPAAQDFKGQTF-CYBMUJFWSA-N 434.312 0.689 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 756096731 IUSPGPDEUQGXDU-CQSZACIVSA-N 447.517 0.983 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)cc1OC 756593108 GHVQRRQEPAJMGT-UHFFFAOYSA-N 434.474 0.175 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 756796432 OWJBEPQGCUTGHL-ZDUSSCGKSA-N 428.449 0.985 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 758046321 HICCUXMZAIVFQU-PSASIEDQSA-N 437.305 0.431 50 20 ICGD Cn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(-c2ccncc2)n1 758524974 ZXEXBDJPIBWPAC-UHFFFAOYSA-N 428.312 0.922 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1C(N)=O 763894965 IQSFPLXLDMXJPH-UHFFFAOYSA-N 435.437 0.597 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763944546 MVYVIFCGQKKGEP-UHFFFAOYSA-N 429.414 0.826 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)o1 764139222 OMIMCHHSRQIXIT-UHFFFAOYSA-N 433.469 0.386 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 764203862 KMMJTPKSHMVGFV-UHFFFAOYSA-N 436.476 0.230 50 20 ICGD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)CNC(=O)c3cccnc3)C2=O)c1 764345802 WLTIGWLFIADFNR-INIZCTEOSA-N 438.444 0.172 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764363440 PBOYPSPOCQEUPB-UHFFFAOYSA-N 435.440 0.645 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 765317832 XAXIHEWNBVQXKT-UHFFFAOYSA-N 425.486 0.693 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)n[nH]1 765586399 SMMXTVMLHJVKSP-LBPRGKRZSA-N 441.897 0.904 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770958867 QTJCVKPWWKKABF-UHFFFAOYSA-N 425.515 0.792 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NCC(F)(F)F 775668926 MTUDPXKXMZWWJU-UHFFFAOYSA-N 449.367 0.849 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(-n2cnnn2)cc1 776701403 DIWPNPJYKZNFCZ-UHFFFAOYSA-N 438.404 0.482 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccn1 777273741 DNNFEQWLQOIOKH-UHFFFAOYSA-N 428.854 0.482 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)cc1Cl 777743397 TYXPDEVVFRSMSS-UHFFFAOYSA-N 435.890 0.584 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc12 777929855 FYAVSULQIFGWRA-JTQLQIEISA-N 428.492 0.045 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc(OC)c1OC 778525665 ZHEBZQOKINUICX-UHFFFAOYSA-N 440.478 0.376 50 20 ICGD COC(=O)C1(CNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CCOCC1 781782340 SNQHUWIDWBXGNF-UHFFFAOYSA-N 425.438 0.626 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 782896481 JEOASXQOECXZMW-UHFFFAOYSA-N 448.505 0.870 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 784002820 USQOACHCPRCIAN-HNNXBMFYSA-N 430.417 0.353 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 784916006 LWOGRYZTGFUOGZ-ZIAGYGMSSA-N 439.538 0.984 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 786413555 BWPBOLGCEPYBFD-UHFFFAOYSA-N 444.267 0.821 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c2ccccc2c1=O 786688537 MHBRIWZQJROOLO-UHFFFAOYSA-N 449.471 0.213 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368756 GVMVHUXDXMCGQX-UHFFFAOYSA-N 442.428 0.794 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)=NO1 798829198 BOPBGQQAXPSGAG-JTQLQIEISA-N 430.421 0.766 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 799473083 XVVIHHHBQSBWTA-ZDUSSCGKSA-N 446.551 0.661 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c(C)c1 802443190 PMCJDUSXKNLDFZ-UHFFFAOYSA-N 432.502 0.871 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 810390459 UATZCIXLFMCPGE-GFCCVEGCSA-N 445.329 0.532 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1c(Br)nnn1C 811451825 OKXIXHWGKPWOAG-UHFFFAOYSA-N 446.645 0.858 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)c2)nn1 812979559 BNIGYOMSQIGBPU-UHFFFAOYSA-N 433.384 0.325 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 812980332 PQGWJFXOGMSPOI-UHFFFAOYSA-N 437.500 0.682 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCS(=O)(=O)C2CCCC2)c1 916094406 JBPGJZDDMTVVDJ-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2S1(=O)=O 916740693 DWDBNKBBPJIRSD-UHFFFAOYSA-N 448.413 0.461 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 917914973 CRPMWAYGJRBPLY-UHFFFAOYSA-N 447.448 0.446 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)n1 1253013444 SVCWGFUEUWPUMG-UHFFFAOYSA-N 425.474 0.937 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cc2ccccc2NS(C)(=O)=O)c2ccccc2c1=O 1318415083 STFHHTXUMHDPRP-UHFFFAOYSA-N 429.458 0.309 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNc3ccn(C)n3)CC2=O)cc1 1320949560 SCFVDOUNAAIFMB-AWEZNQCLSA-N 434.522 0.947 50 20 ICGD COCCn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1=O 1325337528 URELDUDFNGNOCS-UHFFFAOYSA-N 437.478 0.212 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H](F)Cl)C3)CC2)CC1 1778025632 UTGQVSSIQPAWID-GPMSIDNRSA-N 430.952 0.815 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1 1780507355 LNTMOVNCJLAMLF-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780854246 VPXFWTUFYKJBCS-QFIPXVFZSA-N 432.521 0.902 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780912572 ZFRRNIGGKQTKCF-HLIPFELVSA-N 441.887 0.433 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1782213424 QLUJFXGDEIYEHG-FHTJZXIESA-N 436.578 0.748 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782337517 RBEZTGMOKWMCGA-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@](C)(Cl)CCl)C2)n1cnnn1 1782604888 VBUQDIGHCIPFTI-UTJXIGIESA-N 433.340 0.984 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783532044 IBQJZRNCBLVYCH-APPDUMDISA-N 425.283 0.407 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1783532082 CPDSBIHXWXXXCX-SJCJKPOMSA-N 428.283 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1783936812 UUBDEYOTLAGOSW-LJQANCHMSA-N 439.900 0.257 50 20 ICGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1ccccn1 1786870493 PFZVRGPNNZSQFU-RCZQDCHWSA-N 429.290 0.752 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cncn3)[C@H]2C1 1788720420 OWNOYSGFFLQVEO-OWYFMNJBSA-N 442.358 0.925 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)c(=O)[nH]c1C 1789922578 PMXAMTPKXGDKRP-MNXVOIDGSA-N 445.289 0.671 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1790591121 JLEQZNAVQMQTSS-VEABSNGSSA-N 447.261 0.231 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1790961026 VZEVIGWBIDTMAD-FQUUOJAGSA-N 449.415 0.624 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1790961452 LFRQUWGWIHKXRR-JONQDZQNSA-N 432.359 0.472 50 20 ICGD COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288542 CDBNGDJTXBTGSE-XIRDDKMYSA-N 433.509 0.057 50 20 ICGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868854 SAILEFQSJFWUEH-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1F)C2)c1cccc(B(O)O)c1 1795737727 NMOBQRAWVMFCFY-HBCWATKFSA-N 446.671 0.676 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796272743 LAFZDUJKJJMBDU-JFILPPLUSA-N 436.310 0.964 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1SC(=N)NC1=O 1796421670 BLAYNPJOORGBBQ-UWHIDBLNSA-N 447.355 0.163 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)nc1O)C2 1796892382 ZPQOIEQLHPNGIU-AIUQWGENSA-N 441.448 0.274 50 20 ICGD CN1CCc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)ccc21 1797545075 PEDXNDDMYYZILB-WKCHPHFGSA-N 433.317 0.924 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc(Cl)cc2nn[nH]c12 1798616658 QPTYNSLOPGCHTC-HZZFPTLFSA-N 428.276 0.414 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)C(C)(C)C 1799342848 KUZNKACPGCUWEO-ZUWCUPBKSA-N 436.322 0.817 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2)[C@@H](F)Br 1799347172 HNLSPVRDLPBLAA-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1800975433 OBCPLEVNVQOCER-LKQDWFRTSA-N 428.873 0.155 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 1801008782 ATHXIIBMUCAKCG-UPHUGPLXSA-N 428.533 0.681 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2 1801013323 OJMFIAODEHLHBR-USGNIVHTSA-N 438.475 0.470 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802116727 UCHCPIOXQYGRCB-SOVHRIKKSA-N 437.924 0.648 50 20 ICGD CN1CCN(C2(C(=O)N3CCC4(CCCN(C(=O)[C@H](O)CCl)C4)CC3)CC2)CC1 1805525108 CKVGNSKOIXKHLL-QGZVFWFLSA-N 426.989 0.597 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807079356 RIMARJQFJRZBOE-OQRYQMPQSA-N 432.569 0.834 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363078 ALFZEWVSTYRUTD-SESVDKBCSA-N 436.321 0.175 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cnn1C 1807369690 RWVPLWPYKAYNNU-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371394 UAMMNWAFCXSANY-UTKZUKDTSA-N 439.277 0.034 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1809552189 XRSUXCAUGUHGJX-ZQYQINFJSA-N 437.305 0.649 50 20 ICGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1812716790 UCYQYCWVQHMGTI-GOEBONIOSA-N 433.336 0.178 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361537 IXEXFSBWTXGRJD-STQMWFEESA-N 437.714 0.303 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csnn2)n[nH]1 1815364782 JSUDEEIJLNFASL-AWEZNQCLSA-N 441.477 0.879 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H](O)C2)n[nH]1 1818825687 OZPYEAHCLUTIQZ-BFQNTYOBSA-N 427.465 0.485 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCOC2)[nH]n1 1819404312 GRGAKHORPZYEDE-LRDDRELGSA-N 427.465 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1 1822415128 UIRZWUNSHWDZDZ-OAHLLOKOSA-N 433.469 0.569 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823787431 KIYPBUBCNJDGNI-LEWJYISDSA-N 443.353 0.514 50 20 ICGD O=C(CC[C@H]1CCOC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827317133 ACZLYXCITFSGRN-XJKSGUPXSA-N 443.334 0.865 50 20 ICGD COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719944 PHCJQJAEXFUQMT-FXAWDEMLSA-N 442.896 0.130 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@]3(F)CCCCC3(F)F)C2)C1 1830732487 ZCBGFGCECHWPKE-XOKHGSTOSA-N 442.862 0.960 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736622 VMMTUHYTZUXENO-FOIQADDNSA-N 438.864 0.808 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831688330 ZGXSGCLIBZROKF-HXUWFJFHSA-N 431.961 0.870 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994458 HRWGQOGHBHDMJQ-IFXJQAMLSA-N 434.917 0.428 50 20 ICGD CN1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1832427715 PCVOFGZNVVDEFJ-LJQANCHMSA-N 428.537 0.480 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1832732284 VEOFQIWRXROLEI-GOSISDBHSA-N 445.303 0.072 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1)[C@@H](O)CCl 1833312358 QNWKGAXRBWUMOA-KRWDZBQOSA-N 439.944 0.451 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834428235 DLXZPPBYECNRRY-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834597135 VBPITHFSYITCPX-XJKSGUPXSA-N 433.230 0.400 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834824154 TZYLSXLBSVUVJM-INIZCTEOSA-N 445.270 0.778 50 20 ICGD CO[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1835277427 BSIIQJFCSJUGNH-UWVAXJGDSA-N 426.897 0.430 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056893 UCHFDWWEFKHWEA-QFBILLFUSA-N 426.901 0.119 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(C)C 1837221484 JATOJZTVOONVID-AZUAARDMSA-N 444.601 0.882 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)O1 1837919235 SEDFWLVRECIOHQ-IIBYNOLFSA-N 444.337 0.546 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838077951 DCHQHMQHVQLMDB-OAHLLOKOSA-N 442.900 0.754 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339951 DSNROLIHHBXZDO-CXAGYDPISA-N 428.283 0.173 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n(C)n1 1839151250 LQMZKOPFQMBTMB-ROUUACIJSA-N 449.335 0.735 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373562 MSNKNXSYZHLKSX-ORAYPTAESA-N 444.868 0.127 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839963143 BEYRDJJBAIHFMX-KSSFIOAISA-N 443.294 0.883 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840030652 RJJZCEVSLYYOES-KXBFYZLASA-N 446.386 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840033702 NBNOMGIQEOOQNR-XHWCBRGXSA-N 444.370 0.566 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2c1 1843012134 GXYLCWTYUVGRLN-UHFFFAOYSA-N 429.245 0.245 50 20 ICGD Cc1nccn1CCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265416 ZYQZEKXRZPEAAB-UHFFFAOYSA-N 425.493 0.487 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 1846503614 JCHCGLNBLBCDGY-QFIPXVFZSA-N 447.344 0.848 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)C(=O)NC1CC1 9889715 RFSYTFFFZYPFOU-UHFFFAOYSA-N 438.506 0.300 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@H](C)O1 10259335 LMSUVDZUQZECRF-KBPBESRZSA-N 440.570 0.812 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)O 727719988 FZQJKEHGAZHTHJ-UHFFFAOYSA-N 442.471 0.810 50 20 ICGD Cn1c(NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc2ccccc2c1=O 733263084 HBVHBNUKPVVUOS-UHFFFAOYSA-N 440.485 0.896 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C 734260000 QTYIBRDPZWJXHK-UHFFFAOYSA-N 435.448 0.046 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)c1cnn(C)c1 735511090 CRCMETRLHVSLRR-SECBINFHSA-N 425.243 0.625 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(C)C(=O)C2)cc1 740836746 ZCVKQFHCGKFESB-WJDWOHSUSA-N 436.472 0.642 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 740849502 ATRGOVQVLMREBS-UHFFFAOYSA-N 426.539 0.970 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(Br)c2)cn1C 742772225 UBBUXCCYBIMVEX-UHFFFAOYSA-N 444.311 0.621 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 746012873 NTOJTJNBQYYYGS-JTQLQIEISA-N 449.327 0.822 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 746013729 MUAFSOLTVHPGHM-UHFFFAOYSA-N 435.448 0.660 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl 746386441 SUTAJRTYTCFWGL-LBPRGKRZSA-N 429.304 0.935 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 746949230 INXYOJWVUJIPGB-INIZCTEOSA-N 429.564 0.967 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 752297204 PJRNRUVFTSMUKU-UHFFFAOYSA-N 434.858 0.379 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CNC(=O)C1 755931570 DRGIMCAPKFEGOT-UDYBNVKDSA-N 426.864 0.991 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1Cl 758047731 NIHQFNBVJFJOCF-LURJTMIESA-N 445.666 0.643 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)C(=O)Nc1ccccn1 758841873 XDSRGSWYHLWUBJ-INIZCTEOSA-N 426.408 0.535 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 762965085 URLYSCFZQQXSQT-PXRHCINRSA-N 448.545 0.816 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 763548763 QBMLEMMOOUMVAS-UHFFFAOYSA-N 446.441 0.355 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc(S(C)(=O)=O)c1 763575445 VMPYPYATFYDMFI-UHFFFAOYSA-N 437.405 0.416 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 763682371 RRCZNMQKLGQLNO-UHFFFAOYSA-N 432.437 0.115 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3cnccc23)c1 763718849 ORADLHURGGQWOR-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 763888922 UFHPOJGLHGNTEL-UHFFFAOYSA-N 437.472 0.619 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 764329117 KXTUVJPGIWQDMI-INIZCTEOSA-N 442.476 0.022 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 764435349 UQNLBLTUFMYCLT-MRXNPFEDSA-N 436.440 0.846 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C)c3O)CC2)cc1 768290148 DEBNOQFJYLKCJK-UHFFFAOYSA-N 446.529 0.777 50 20 ICGD O=C(O)Cn1cc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nn1 768477047 UANHUXUUPGJCBP-UHFFFAOYSA-N 434.459 0.989 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC 770177123 NISKZYVCHJJWNO-UHFFFAOYSA-N 438.890 0.466 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1ccc2c(c1)OCCO2 770423930 CPKXAQWPGQKGGN-UHFFFAOYSA-N 436.424 0.291 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1CCS(=O)(=O)C1 771150025 QXQXVSMNAYBLQH-RXMQYKEDSA-N 437.746 0.908 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)s1 772632155 WYVNJPOWFWUXHD-UHFFFAOYSA-N 436.519 0.556 50 20 ICGD CN(NC(=O)CCCN1C(=O)CCC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204239 CFGVDEVAFPASGZ-UHFFFAOYSA-N 425.486 0.551 50 20 ICGD COC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 777604102 HOACWJWETQUHKE-UHFFFAOYSA-N 427.460 0.892 50 20 ICGD COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002943 NFPJTZPVCXLJKT-UHFFFAOYSA-N 447.673 0.819 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 788170103 ZRDIVMFOJZNGNK-UHFFFAOYSA-N 437.566 0.782 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)CN1CCCC1=O 789858270 SBHAEIRDPVBTOK-UHFFFAOYSA-N 434.474 0.450 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794822783 HBOAOIIBMLFQPQ-UHFFFAOYSA-N 427.446 0.259 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 795169403 OZBZRAFJDPRLJG-UHFFFAOYSA-N 436.515 0.867 50 20 ICGD O=C1CC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)(c2cccc(Br)c2)C1 798153663 YVMLYVCEDVTOPJ-SNVBAGLBSA-N 429.292 0.632 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 799123184 RVOPLDWUWUTLOA-UHFFFAOYSA-N 449.489 0.498 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806989758 PMXQOPNNVHTQII-UONOGXRCSA-N 425.445 0.569 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(OC(=O)NC)c1 815565207 GJFGXUDIAVTAFO-UHFFFAOYSA-N 430.417 0.968 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(OC[C@H]2CCCO2)c1 815691336 MTAULOWOULQIMA-LSDHHAIUSA-N 442.476 0.493 50 20 ICGD O=C(Cc1ccccc1)NCCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 830944439 MWVGQEOTONZWCS-GOSISDBHSA-N 441.440 0.266 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 917917601 CWJSJTMVNHUHOZ-SNVBAGLBSA-N 445.548 0.169 50 20 ICGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)c1Cl 1318735345 IMCRXTICTMBCHK-ZETCQYMHSA-N 445.853 0.321 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1323309637 ACLXXPYUTYQNCA-SFHVURJKSA-N 434.562 0.561 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779295607 UCVSHRGSOOYLBK-QCBCRBAMSA-N 449.584 0.802 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779332122 WGBLRHQOLACSQK-FQEVSTJZSA-N 440.290 0.062 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](F)Cl)C4)CC2)CC1 1780648706 YVVHDZSQIGYSOR-GPMSIDNRSA-N 430.952 0.815 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335484 ZSBGRHFRUWSHIR-BXKDBHETSA-N 434.184 0.185 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783965963 XSNLAKUHHXIBRK-URLPEUOOSA-N 432.359 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(NC(C)=O)n3)[C@H]2C1 1785536840 APVYLTMSOHVMMI-JKQORVJESA-N 438.912 0.887 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786084150 YBBWNSQQIORSKU-RBOWNIJDSA-N 441.492 0.147 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)on1 1786984820 MXFMIJRWHPAJQN-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccco3)C[C@@H]21 1788611673 PGKPAPKVVQNPTD-WTJDKIPASA-N 439.472 0.585 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1790960307 ACLYKLGDSCHQFH-PNSWWYFWSA-N 442.354 0.974 50 20 ICGD CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N(CC)CC 1791288021 OOBAEBRIASWEEW-VJANTYMQSA-N 439.601 0.460 50 20 ICGD COc1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)ccn1 1794165568 LCPVNYGYDNXPML-ACDBMABISA-N 437.305 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)cc(F)c1 1795842173 CGPNXPOVXLEHOK-USGNIVHTSA-N 438.475 0.470 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1796439606 QEHIAHLRCZBWKD-NDMOTNCASA-N 441.444 0.186 50 20 ICGD CSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798329014 SBIAXOBZPJEKBM-JLVBRIDZSA-N 441.318 0.000 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799487043 XSULSWMOKSSONQ-ZWUHOBOKSA-N 427.841 0.757 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)Br)C4)(C1)C2 1800705221 LZHURYQMHVTURT-VXTGFVELSA-N 429.311 0.703 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1 1805476221 KXQDKGNFJQXRSG-CTNGQTDRSA-N 430.273 0.790 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370833 LEVIOTSJDQYEOX-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(F)n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373841 CYYLHGHWNWIVKJ-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1808767110 HKBYMHIGUREFIX-UWJYYQICSA-N 439.520 0.873 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1810869156 KXGQPXJJQMBSBE-UYAOXDASSA-N 448.288 1.000 50 20 ICGD CCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355197 QWVJUYUVJDUAEC-CQSZACIVSA-N 439.306 0.579 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCC3)[nH]n1)c1cccc(B(O)O)c1 1817476311 PSSYNUXZOPBKAB-IBGZPJMESA-N 448.292 0.852 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479831 UFECQQJVPBOUQH-KRWDZBQOSA-N 449.276 0.617 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821608742 HOTBBHHHNVPDDO-GFCCVEGCSA-N 429.506 0.942 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1822861153 WXRJYMHDAZDXHG-BCTVWOGZSA-N 448.332 0.843 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1828486647 DDOYEMYYUBCMCG-OALUTQOASA-N 442.988 0.370 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830540576 QQTULMALQIBJBG-HBUWYVDXSA-N 446.342 0.165 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1 1830720390 YRRCMGDCIOBVAF-OOSNJVJTSA-N 440.899 0.985 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1831651945 URPCVNWWTFCLKY-FRQCXROJSA-N 433.933 0.001 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1831837453 UJRCHPGJUYIBAD-HZPDHXFCSA-N 425.913 0.785 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)O)CC2)CC1 1835117986 DLSDMHDBFFEGFV-BGHCKBSUSA-N 432.525 0.073 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccccc1 1836216120 MQLGEAUYOCOMGQ-UHFFFAOYSA-N 435.333 0.865 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838536641 ZYQBXRUAYNJHCG-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155315 QUZQRMJRUXFPOA-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705462 IDOIRSAGPBGGJH-CKEIUWERSA-N 444.330 0.327 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1839962761 QNJAOOTZSZHUIQ-DCGLDWPTSA-N 434.331 0.128 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839963729 UFCHMBJAQIRWDU-CXAGYDPISA-N 429.315 0.664 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031686 ZQMPBUGUVPKKCQ-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031904 GPRNVRXEMVTMOA-SSDWJNDTSA-N 433.299 0.346 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1840150413 KIQJDTMWEAYPHA-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840156614 WRXSHNXECHVUEN-MGPUTAFESA-N 444.887 0.915 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840525913 WEWZDGJADKLMGU-UZLBHIALSA-N 444.887 0.433 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843010559 DDSMGZVABLQPRM-UHFFFAOYSA-N 437.305 0.328 50 20 ICGD COc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1843929352 LOXKOAADIVMSLZ-UHFFFAOYSA-N 440.280 0.964 50 20 ICGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1845168445 GUELHBRFOWFYSX-STQMWFEESA-N 430.933 0.976 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 1845447239 BULGXMKCZCWVAZ-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1846365048 XVUUTAHPZRQHET-ILXRZTDVSA-N 445.944 0.814 50 20 ICGD O=C1Cc2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559854 SYWWQQXKPSABEZ-YESZJQIVSA-N 433.892 0.403 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)Nc2ccccc2)CC1 1847837702 MOVDOGHQJAKEOO-PMACEKPBSA-N 447.300 0.601 50 20 ICGD O=C(CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc2cccnc12 725860467 PPNZAQAXGOFCJW-UHFFFAOYSA-N 431.416 0.793 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 726867974 YNICKSPNQCIBEJ-UHFFFAOYSA-N 448.526 0.796 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)c2c(C)nc3ccccn23)C1 728944348 AITZDXIJGCIOIB-HNNXBMFYSA-N 444.492 0.731 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 728954878 QVSPATDOWSJLBV-UHFFFAOYSA-N 428.474 0.382 50 20 ICGD C[C@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 728961371 HCRMTVOGSMMDQL-HNNXBMFYSA-N 425.493 0.728 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 732198751 DHORCBNJROPHEX-JKSUJKDBSA-N 439.557 0.724 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c2C)nn1 734240711 SCMKLXGSGQIFJA-UHFFFAOYSA-N 448.484 0.838 50 20 ICGD Cc1sc(=O)n(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 734594642 CZAVUNADDFDZRE-HNNXBMFYSA-N 435.458 0.447 50 20 ICGD Cn1cc(C(=O)NCC2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 738312008 JZXARHPFSCOGSU-UHFFFAOYSA-N 443.464 0.231 50 20 ICGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)COCc3ccccc3)CC2)cc1 738497411 UDEWVHKRRFZYGW-UHFFFAOYSA-N 447.517 0.414 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742478529 QTFXMSJZSANJOU-DZLVSBGCSA-N 429.473 0.771 50 20 ICGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 743250667 HGNUGNJAIKXMDP-UHFFFAOYSA-N 440.445 0.480 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744383819 DLEABJRFDGZABN-UHFFFAOYSA-N 441.510 0.403 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CCCOCC(F)(F)F)CC2)c1 744391153 PHZRJMYHWCKTEZ-UHFFFAOYSA-N 427.427 0.906 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744997204 QJJVRCJYHQOYEC-UHFFFAOYSA-N 436.490 0.361 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 748011775 ZLLMQEFTNSQYBL-OAQYLSRUSA-N 426.429 0.980 50 20 ICGD COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 751206665 LBYZXBRULQSAGV-UHFFFAOYSA-N 444.473 0.847 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751282574 ODKSIFFXOVEBFA-UHFFFAOYSA-N 440.503 0.132 50 20 ICGD NC(=O)c1cccc(OCCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 751409574 ZLIHOTUCZBPLOS-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C 753020229 PMQQLRVWOCDYRO-XCLFUZPHSA-N 430.465 0.293 50 20 ICGD C[C@]1(c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 754519377 FKRNGHJZYQBRRV-OAQYLSRUSA-N 435.396 0.231 50 20 ICGD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756511205 MGGLXFQBUJXKJC-IUODEOHRSA-N 439.494 0.575 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C 756682821 PWYZLFNZKJLIEU-LBPRGKRZSA-N 446.551 0.659 50 20 ICGD O=C(CN1CCN(c2nc(F)c(F)cc2F)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 759968368 JHWNZAAKQWHPBH-UHFFFAOYSA-N 438.366 0.990 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1ccccn1 763466366 HBKZXHKBVWXFFA-UHFFFAOYSA-N 446.363 0.783 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 763528604 QCZGCALGAFUQEQ-UHFFFAOYSA-N 432.458 0.576 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 763648950 HISUZPJYBJPLTQ-UHFFFAOYSA-N 439.472 0.405 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 763820908 MNWLHXNXFPOZOQ-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1COCc1ccccc1 763998123 LSWIYEVIEJINNC-KRWDZBQOSA-N 445.497 0.924 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O 764133834 ZZUJBSWSZLVGEK-UHFFFAOYSA-N 437.250 0.485 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccco2)ccc1Cl 764171188 HCZQRHOIYLEGNO-UHFFFAOYSA-N 442.881 0.902 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 764202535 DSEAIAUCBGBBIL-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764268136 FTMCEHHTYVFNTB-UHFFFAOYSA-N 436.516 0.942 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 764428747 KQCUBHXHVAKHNK-OKXSDPAFSA-N 445.497 0.637 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764526557 VXFXVADKNDNGKK-CYBMUJFWSA-N 432.458 0.460 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc(C(=O)O)cc1 765119119 QFNOARXWKMRGQW-UHFFFAOYSA-N 446.485 0.152 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)c1 766276945 RICKFGUQKCBODU-JKSUJKDBSA-N 439.538 0.576 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccc(O)c2)CC1 778858589 FMNONJQCRRNHTB-UHFFFAOYSA-N 435.481 0.852 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-n1cnnn1 781555714 DKYQCWAXFAECJD-UHFFFAOYSA-N 428.405 0.772 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 789731931 KXQHRQPIVPIFBN-UHFFFAOYSA-N 438.444 0.929 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 789759069 YPWVCRJMXVKQLF-UHFFFAOYSA-N 433.371 0.860 50 20 ICGD CCOC(=O)c1cc2cc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2s1 794575967 CKAPQEWIKJAJMA-JTQLQIEISA-N 446.528 0.822 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 796145132 ZUHKETLDCVJMKF-INIZCTEOSA-N 448.524 0.866 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)Cc1cn2ccccc2n1 801798266 UASUPWRSTRKAIJ-OAHLLOKOSA-N 444.517 0.964 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c2C1 803839476 VEUUGVIGLRYRMH-OAHLLOKOSA-N 438.444 0.071 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2nc3cccnc3s2)CC1 806872426 JHAAKESNHRZHDV-UHFFFAOYSA-N 433.519 0.779 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)ccc1F 806977428 JAZQEMVZFNHZTL-UHFFFAOYSA-N 438.437 0.071 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(C(=O)NCC(F)(F)F)cc1F 810387488 YCVBXSUIOIKSMZ-UHFFFAOYSA-N 444.345 0.857 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(-c3nncn3C)c2)cc1 813033455 UAMPAQRBSIADOZ-UHFFFAOYSA-N 443.489 0.814 50 20 ICGD CN(NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087908 QDUDCVJONZWFQJ-GASCZTMLSA-N 449.508 0.573 50 20 ICGD O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 821978720 AKSFRVORFDMISW-UHFFFAOYSA-N 437.460 0.821 50 20 ICGD Cc1csc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 916232636 KGCWZPACWUOBEI-UHFFFAOYSA-N 439.519 0.617 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 916377963 HTZKAEUPZYARAP-QGZVFWFLSA-N 445.398 0.978 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)c2ccccc2c1=O 919692535 PITKWGDRMMRWSB-AWEZNQCLSA-N 439.476 0.655 50 20 ICGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 919807565 XKYVCKHXATZOLJ-UHFFFAOYSA-N 431.536 0.447 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(NC2CC2)nc1 919970295 YVGXOZWOPZUVCR-UHFFFAOYSA-N 445.501 0.752 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1(O)CCCC1 920425338 YSEAFVDMVRPERA-UHFFFAOYSA-N 425.507 0.093 50 20 ICGD CCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 920765008 JMONLKKXPSUWKS-UHFFFAOYSA-N 444.510 0.469 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC12CCS(=O)(=O)CC2 1117386842 FOYLFYILJJQMGU-CQSZACIVSA-N 443.547 0.366 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc2n(n1)CCCO2 1779033873 WZCKGDBNINABSF-QMTMVMCOSA-N 426.901 0.393 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1780097009 MZEAIWPFEYGIIM-IBGZPJMESA-N 444.404 0.396 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1)n1cnnn1 1780777662 XACDPHHXRCUBOD-MCYUEQNJSA-N 433.282 0.439 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)C2 1782172351 AEMWJTYBBFFRTK-XHBSWPGZSA-N 426.844 0.864 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783828229 WCAZEYHZDBKPOT-FOPCJOBSSA-N 431.493 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1783935406 QUNKZAVXZWMODB-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1784058200 UUXTZDCBVCHVJF-QHCPKHFHSA-N 440.280 0.500 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)[nH]3)[C@H]2C1 1784714789 VJVSTLAXJXCLRM-JCXARJCSSA-N 441.492 0.445 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785358458 TXWVOGCORWTYRL-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3coc(Cl)n3)[C@H]2C1 1785678344 YKKFIYVZWHEDJA-OBJOEFQTSA-N 427.889 0.294 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764751 ZPBCDWJSGYABRX-KKUMJFAQSA-N 430.647 0.302 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)c2c1 1790327859 CZVWDDGUCAILKD-CSFVBSKPSA-N 431.880 0.628 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]2C1 1790912529 FMBUFIUAHQJCJP-UBHSHLNASA-N 449.527 0.330 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1790963287 BWLHRHYDQUSFFQ-XQLPTFJDSA-N 428.331 0.821 50 20 ICGD Cc1cc(Cl)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792664851 NQHBRWJJGBUKKI-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1792870555 RVXAXUGXASMCPM-NFFDBFGFSA-N 426.311 0.620 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793088250 YBFBYRRNLDKGPN-QRJUGERDSA-N 447.960 0.869 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(=O)c1ccccc1 1796189924 MTKGXACRLZXQRB-WKCHPHFGSA-N 449.316 0.390 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191424 JTQNOOBCNAGSCN-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 1796440964 HIRGVSJLUMBNSJ-RDTXCKDWSA-N 439.476 0.122 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1798524417 AILNNOWHXZPVOZ-DRXBFXEBSA-N 445.388 0.420 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799120909 FZVFKCVHXTTXHJ-FEJSZKPUSA-N 447.300 0.294 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)(C1)C2 1799346842 HJSVFLYAIWWEEJ-MNBOIHFJSA-N 433.274 0.610 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800638864 AXAOFGJUACKIGN-JYYAWHABSA-N 432.359 0.472 50 20 ICGD O=C(CCc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801526022 WGTKTKPSOFQGLU-OPMZPASUSA-N 440.280 0.342 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803573472 BRDOGINPPCAPIN-ZQIUZPCESA-N 429.926 0.593 50 20 ICGD CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804078371 HDDQHJPGIAKEJM-RXVVDRJESA-N 439.321 0.896 50 20 ICGD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805854431 RHOKDHRAMLAZTN-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(C)(C)C)[C@@H]1c1cccnc1 1807101056 PNNOCMKELDQINP-UWJYYQICSA-N 432.569 0.849 50 20 ICGD CC[C@H](NC)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807343416 DRUFRSRNAQATRN-MNEFBYGVSA-N 439.520 0.398 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1813070589 KKVYEGLFPZXLCP-IIBYNOLFSA-N 427.509 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1813072218 BUVOBMDDWKZKFZ-IERDGZPVSA-N 440.504 0.875 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356543 JEQRKRGCSLSHSI-PBHICJAKSA-N 443.334 0.622 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817090125 UHSGKQLRZKZBIN-CBAPKCEASA-N 427.870 0.824 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475674 QTKLLOSCQTYYAA-OAHLLOKOSA-N 446.294 0.213 50 20 ICGD CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)COC1 1817477395 XWVXQUFYQOTUSL-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089670 LCHZLAGIWAUDIY-QWRGUYRKSA-N 431.946 0.682 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2nccn2)CC1 1828924289 NATMSOGZKNEOKD-SFHVURJKSA-N 440.508 0.210 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Br)CC2)N1 1830377091 UOFASTOCFAZXQP-OBJOEFQTSA-N 447.305 0.895 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1830535023 GQYJLNZCPNSBJP-KSSFIOAISA-N 443.342 0.830 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1830545233 ILXLTLOQYRWXBV-AMVWBUNWSA-N 441.326 0.910 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1831877176 SWECDJTUWPMJKW-WMZOPIPTSA-N 433.557 0.832 50 20 ICGD CCOc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nn1 1833313513 IRBWHAWQJZIVJG-KRWDZBQOSA-N 439.944 0.660 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833590679 PEXHACASQQVOIM-YWZLYKJASA-N 442.944 0.962 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n(C)n1 1834158500 PFBHBOGMGGARLW-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835930242 DXAIJODZJBFFGE-WZONZLPQSA-N 442.321 0.183 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275058 CLJSNMFFENPEEX-IRXDYDNUSA-N 449.339 0.012 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837370638 RJTFYJZBEABZDY-DYVFJYSZSA-N 446.266 0.987 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839215866 PVBPUNNYLKMPNK-QWQRMKEZSA-N 446.342 0.237 50 20 ICGD C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839840622 FLAUJEIGJHTJMD-OQUBFCBWSA-N 445.520 0.789 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840034003 XEYHOLRRAALNNK-CXAGYDPISA-N 448.314 0.069 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1840151889 QACWKNKVJREGGI-WWMYMODYSA-N 437.924 0.906 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841925267 GNDJMFPLKGNWFZ-JSGCOSHPSA-N 430.933 0.847 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3ccccc3O1)C2 1844265282 NPTMNGSVGZWOSZ-IBGZPJMESA-N 435.484 0.896 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844401524 TXNINHMZGDIAML-UHFFFAOYSA-N 431.204 0.054 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@@](=O)c1ccccc1 1845775691 JLIBKWKAIYCNJE-RKXCMPKHSA-N 440.330 0.380 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1846385203 CLISTGZAOBFQEE-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Br)C2 1846561589 RREFRCNSERWAJP-BXUZGUMPSA-N 426.315 0.444 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847953907 RMDAXVHQEZSVMS-VXKWHMMOSA-N 429.285 0.973 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 15639380 GRYIPFMVTLYGFQ-CQSZACIVSA-N 429.520 0.057 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 725740837 ZKTKPGDEIYMGLK-UHFFFAOYSA-N 439.453 0.263 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cccs1 726670146 GUDRSBHHRPFMCU-UHFFFAOYSA-N 439.471 0.061 50 20 ICGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727481988 LBJHFGXFAGJFGO-UHFFFAOYSA-N 446.485 0.368 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 728506559 BBXXVEGIWVMOKD-UHFFFAOYSA-N 429.451 0.803 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 730822096 SEXJACVFUUWHRE-UHFFFAOYSA-N 442.881 0.733 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 731493874 ODUOLMLIEINBDP-GFCCVEGCSA-N 433.442 0.756 50 20 ICGD O=C(NN=C1CCCS(=O)(=O)C1)c1cccc(NN=C2CCCS(=O)(=O)C2)c1 731923702 XPSAONMMIBGWPC-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 734242132 UXTFKQKZSLLKJY-UHFFFAOYSA-N 433.465 0.804 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)ccn2)CC1 745468107 NRSCGZGXTJWZOL-UHFFFAOYSA-N 429.437 0.591 50 20 ICGD COc1cc(C)nc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 746623906 PAANAVOXJNTPIP-UHFFFAOYSA-N 435.506 0.890 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)N1CCCC1 748245963 AHTZCJIYRAUYNG-UHFFFAOYSA-N 442.925 0.898 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)nc1 749017898 YXZHSGZEIHYXQM-UHFFFAOYSA-N 448.571 0.066 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 751202461 TVBOPRQEPUIKKH-UHFFFAOYSA-N 428.445 0.474 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 751206988 OZWOPXGAMSXYGE-UHFFFAOYSA-N 447.407 0.662 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 751297328 HFCWCXWTOZGIFG-UHFFFAOYSA-N 449.265 0.471 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1Cl 759088444 DTUJHAOCWYQRKO-MRVPVSSYSA-N 425.872 0.026 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)nc1 759739295 KPHAQJGYBQKSMF-HXUWFJFHSA-N 427.417 0.787 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 762374320 VAZRKKMCFDUSFM-UHFFFAOYSA-N 443.279 0.660 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1Cl 763681854 OZIOPPSJCPVFLO-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 764002412 MDKIOQTTWVFVRR-NSHDSACASA-N 427.454 0.668 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)Cc1cscn1 764434824 RVQPLSZJHWAPLU-MRXNPFEDSA-N 433.490 0.276 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 764579663 RNMAVAIKRGMHBT-UHFFFAOYSA-N 448.487 0.552 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)CCc1ccccc1O 766317426 LJYVKRNQWZXJQU-UHFFFAOYSA-N 427.866 0.852 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)C1CCOCC1 767479890 CXSGDTBIQLHXJZ-NSHDSACASA-N 432.882 0.627 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 769866064 RBSSVOPZXWHHRH-UHFFFAOYSA-N 442.263 0.904 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cn1 773759988 DDQKZBPNLWPAKU-UHFFFAOYSA-N 441.414 0.662 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2)CCN1 775264319 JWIORBRKBZKABO-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD COC(=O)c1ccc([C@H](NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F)cc1 776024016 YOYHMWKJYBDCBR-KCJUWKMLSA-N 440.400 0.345 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc2c1 777833538 WSWBMVVCMMFYHH-UHFFFAOYSA-N 429.296 0.443 50 20 ICGD CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NN(C)C(N)=O 778411205 AVLYPYWCSBZUDD-QMTHXVAHSA-N 447.945 0.777 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnc(N)nc1)N(S(C)(=O)=O)CC2 781587956 SQZNJRURUDZHNP-OAHLLOKOSA-N 448.505 0.475 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)sc2ccccc21 783351721 HQUFTIUAIOHOLN-UHFFFAOYSA-N 438.469 0.862 50 20 ICGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783427610 PFHHXUJVRPWKJM-QGZVFWFLSA-N 430.914 0.615 50 20 ICGD COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1OCC(F)(F)F 783427998 SFANEIPKLKYIKJ-OAHLLOKOSA-N 439.412 0.773 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2)n1C 784003555 IGQLFOXNPWOULP-UHFFFAOYSA-N 441.473 0.368 50 20 ICGD CCc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2)o1 784005163 RRVUKABOOYVZJG-UHFFFAOYSA-N 442.457 0.876 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3ccccc3F)cc2)CC1 784229627 GRPVJLYDDOACIH-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cn2)CCN1 784381768 LHYOLOBGNATKTK-UHFFFAOYSA-N 433.812 0.661 50 20 ICGD CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 789731196 DVSOCQSYRCJXPG-MNOVXSKESA-N 442.563 0.815 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1OCC(=O)N1CCCCC1 789856175 AIELFRGMAURDIC-UHFFFAOYSA-N 446.504 0.860 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1 792801881 DDGOZNGYSZNPCF-KRWDZBQOSA-N 427.461 0.966 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1 799259404 VVUDESMITHPMHJ-GOSISDBHSA-N 435.440 0.876 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc(OC(F)F)cc1 802049026 SNQUPCXHXMFIMX-ZDUSSCGKSA-N 441.435 0.621 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098383 OCZFLNXGJCJJBI-GOSISDBHSA-N 433.421 0.184 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1 806746822 LJSHSCOACVTOJO-CYBMUJFWSA-N 429.433 0.856 50 20 ICGD O=C(NCC1(N2CCOCC2)CCCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 806997429 FGOKUGLNAZLLDX-UHFFFAOYSA-N 428.497 0.641 50 20 ICGD Cc1nsc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 810063542 ZYESXNHFBZEWFB-UHFFFAOYSA-N 429.462 0.815 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1 810386300 UFKNRYSEUPWMFG-LBPRGKRZSA-N 442.428 0.970 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccccc2c1=O 814215961 XRKGBLIQXFZJTF-UHFFFAOYSA-N 448.439 0.563 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CNS(=O)(=O)N(C)C)cc(OCC)c1OCC 816814596 WRVSLIOMBMJQTC-UHFFFAOYSA-N 432.499 0.040 50 20 ICGD CCOC(Cn1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)nn1)OCC 817053484 TXHPQLBRCUUIAD-UHFFFAOYSA-N 426.499 0.684 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n2nnnc2C)c1 818011729 ARSTXLJRAMHAOD-KZIRBZLESA-N 436.428 0.976 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 914444873 DIBIWOYXNWBPMF-WDEREUQCSA-N 444.307 0.384 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 915056429 GXTZNHNCKGTZPX-UHFFFAOYSA-N 434.503 0.592 50 20 ICGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916092750 DMRQPRCCOMKTHF-IAGOWNOFSA-N 425.507 0.213 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])s1 916233201 RQWRNXQVHUUAHT-UHFFFAOYSA-N 443.463 0.474 50 20 ICGD COc1ccnc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 918563081 QFBWFZSOKZCROW-GFCCVEGCSA-N 433.446 0.566 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 919692565 QETDPSNYBYRPQK-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc(OC)c1OC 920287030 CVOWFLRMZVRQGP-UHFFFAOYSA-N 442.428 0.945 50 20 ICGD O=C(Cn1ncn2nccc2c1=O)NNC(=O)c1ccc(Br)cc1Cl 1338941323 DCZACCZIHVVFKT-UHFFFAOYSA-N 425.630 0.768 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777710475 RJXYQUGPQLTVIM-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD Cc1c[nH]cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373535 YBRPOZABTNPLJO-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780828882 UEZJRKRJNXZLIO-NRFANRHFSA-N 430.216 0.402 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@H]1CC(c2ccccc2)=NN1 1781447459 YTKKSAAAHRMWDL-VQQMMKBISA-N 448.951 0.866 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1782172000 JMBZCTALQJAIRY-ZXYWRSMDSA-N 428.917 0.362 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782193097 CGJSUHHANSTWIJ-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c12 1782479043 BBIQBTIWQGIGLP-QFIPXVFZSA-N 442.520 0.688 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782775433 RZTHQPGXXQZTHH-MNQDVBFDSA-N 441.492 0.155 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784285119 ZVRAJKDWOASCIY-SBUREZEXSA-N 437.305 0.084 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(C)on3)C2)C1 1784362514 ZIPMCMUYQSNYLO-CPOKCXMASA-N 442.476 0.489 50 20 ICGD Cc1ccc(O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984735 CVOQGTIDFIZOAK-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589439 DBTKAYDEWWXELP-CYDGBPFRSA-N 443.298 0.324 50 20 ICGD Cc1cc(Cl)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737670 IGWUBFXMTBGWFH-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1796388640 YGUIHVSVVOMOOJ-USRAEIGSSA-N 433.933 0.479 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800644078 HNNORLNCSFYPMB-OQMKEHIESA-N 433.347 0.123 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Cl)n1)C2 1801009557 NKQFPKYEFNFNFT-VTEUUUEMSA-N 437.928 0.240 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2 1801011143 HMYCFGLIOOJNAO-MFKICJERSA-N 439.516 0.811 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012147 IGCZOFMQKIHYTB-NSAZKJPHSA-N 430.549 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2ncccn2)[C@H]1c1cccnc1 1804696917 LXAWGPXYSLWJDY-VGOFRKELSA-N 439.520 0.493 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805282289 LOEWHQHBFJBPQZ-UHFFFAOYSA-N 435.433 0.676 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807367195 XQZNRDDOVGXCCZ-OZOXKJRCSA-N 435.289 0.119 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)C(=O)N(C)C)C2)CC1 1809575766 DWWDDRLKGBSSDP-HZHRSRAPSA-N 430.509 0.440 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967678 DBLNZFTWBXUFLT-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978827 VIWAPCLVJJMQRC-KOEQRZSOSA-N 440.353 0.683 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)no1 1810978215 MSGSCIJRJMSMQH-HNAYVOBHSA-N 436.233 0.088 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813029926 BJMWKVBJZCESHY-WDSOQIARSA-N 445.712 0.335 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)nn1C 1813070465 JJDBIFQONRWNKR-DYESRHJHSA-N 441.536 0.816 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360878 QFDAZTZRLGRASW-AWEZNQCLSA-N 447.398 0.900 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819710522 RRKSRXADNHXUMV-RHSMWYFYSA-N 443.334 0.622 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)C(Cl)Cl 1822419774 FUOOUUDLJAFIKI-SECBINFHSA-N 440.251 0.645 50 20 ICGD O=C(CCn1cncn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822680322 BXMXZHABLKVMJQ-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)CC1 1823770395 DIZSOTFCRFLXGW-CTNGQTDRSA-N 440.305 0.926 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)Br)CC2)N1 1825075197 ADFQCTXYJLYLPY-OBJOEFQTSA-N 447.305 0.895 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)no1 1826634670 SEMRACZCGZZSTD-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829864962 POFSNEAQJAZDRF-YJBOKZPZSA-N 432.359 0.570 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1830300104 MKRULWCJMZDXSA-VEVIJQCQSA-N 437.896 0.890 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cn1 1830538067 VCNIFDTZIDFMOD-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1830952925 KJSIPLVZIFUVKP-FQEVSTJZSA-N 438.601 0.579 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738063 BYQSDECJODMOIW-DLBZAZTESA-N 433.292 0.489 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313279 DFKAIJDZVIIJLL-QGZVFWFLSA-N 429.945 0.667 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834820125 NTYOAFBGGODXGV-WMLDXEAASA-N 434.331 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171471 QQSSLSGQCSWIJK-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cn1 1837712172 HACIFFQAWSNYBQ-LJQANCHMSA-N 438.557 0.407 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1838276094 JBHZPOMPKLLPOF-PBHICJAKSA-N 447.305 0.743 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838383665 NSSJRUPOUFBNHX-RHSMWYFYSA-N 446.976 0.946 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1838739518 WKFACMREJVPQJI-CJNGLKHVSA-N 429.246 0.647 50 20 ICGD CCSc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838846429 UNPQQRDJPHFMPS-AUUYWEPGSA-N 443.953 0.863 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839716802 CUNDLJJZYAESLQ-CXAGYDPISA-N 429.315 0.431 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839949971 SQMFJRJNHKHZGO-XAUMDUMWSA-N 426.897 0.510 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840149614 VPMNIMDFAXTGNT-XEZPLFJOSA-N 441.750 0.728 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1840151887 QACWKNKVJREGGI-FIKGOQFSSA-N 437.924 0.906 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841354119 IXDVYOKGQMUSDT-DJJJIMSYSA-N 431.917 0.161 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 8633012 FEYCMKNSKVDTIY-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(C)c1 105478692 WXKDEIUXIVFXPA-UHFFFAOYSA-N 442.520 0.724 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1OC 727764647 DYJQVMZXFXFUJX-KRWDZBQOSA-N 434.474 0.975 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(NC(N)=O)cc3)cc2)CC1 728214516 QNTXUMDJATVDHA-UHFFFAOYSA-N 432.506 0.870 50 20 ICGD Cc1cccc(-n2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nn2)c1 728343841 GZZUILBOZHAOEN-SFHVURJKSA-N 437.412 0.720 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 730780276 MEWXMDCPKXOZKH-LBPRGKRZSA-N 425.488 0.833 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc(C)c1C 731880586 QTTGJRAIAIFRHT-JTQLQIEISA-N 431.492 0.062 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474053 FOGMQSJGEJUNDJ-OAHLLOKOSA-N 432.930 0.701 50 20 ICGD CCCCNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 741654193 WKPFATCSYOEZDA-UHFFFAOYSA-N 434.316 0.932 50 20 ICGD CCOc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)ccc1O[C@H](C)C(=O)N(C)C 743446182 QGPCTKIXXBGDAJ-GFCCVEGCSA-N 431.449 0.835 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744453781 VCVMQFLGQNVPTL-UHFFFAOYSA-N 444.469 0.540 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744816157 KMHRUQSIPYFDRR-MRXNPFEDSA-N 425.507 0.894 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 746386981 ZHTSRVLPSDGVQH-QGZVFWFLSA-N 448.520 0.426 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCCC2)cc1O 748251149 RRPBZKAHUYSUIK-UHFFFAOYSA-N 432.506 0.417 50 20 ICGD CCCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748624519 XFRBWZFVDRBAMN-SFHVURJKSA-N 437.566 0.857 50 20 ICGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1nccn2cnnc12 749448844 LFMWLLCLEYRHTG-CYBMUJFWSA-N 439.436 0.004 50 20 ICGD Cc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 751621557 XUWWZHCMHLXNNL-CYBMUJFWSA-N 426.564 0.923 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1=O 752022996 JPKIADIEVMARIE-ODXCJYRJSA-N 441.448 0.242 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 755646906 RJGDTZAUEQVWMS-UHFFFAOYSA-N 438.444 0.867 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)cc1 756783196 FLLRMNJFXKFAKO-UHFFFAOYSA-N 447.473 0.715 50 20 ICGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 760066365 ONKPDMKHJMEOIQ-UHFFFAOYSA-N 430.792 0.206 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1c[nH]c2ccccc12 762964770 QXJGKFKEHWMQMB-LLVKDONJSA-N 429.458 0.395 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OC 763551537 PBPPBGAWPIXRKD-UHFFFAOYSA-N 431.401 0.849 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763680375 GDSAUWPWPXCNSK-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 763842615 FTNATAZQVCGHEO-UHFFFAOYSA-N 428.470 0.731 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1 763879032 VRKUVEDBXGVEDO-CYBMUJFWSA-N 426.429 0.850 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1C(=O)OC 763919747 SZOQNJRNZSIRSP-UHFFFAOYSA-N 431.376 0.728 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 764004641 KDZNDTLIOMWNNH-UHFFFAOYSA-N 433.226 0.163 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)ccc1C 764252305 DSXGVGOGYSBFMC-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764267002 QBOGFSVPYCKCSG-UHFFFAOYSA-N 440.435 0.630 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 764281110 YLQCHFMHAZGETB-QGZVFWFLSA-N 442.428 0.675 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 764548509 TYLFZFWSKLPALK-ZDUSSCGKSA-N 440.485 0.502 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 765304439 KPZZFVWNFYOCFN-UHFFFAOYSA-N 434.474 0.842 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1cccs1 765380534 AXQJAWBBOZNOTK-UHFFFAOYSA-N 443.529 0.754 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CC1 765398949 OXGSGBIUPZKLLE-UHFFFAOYSA-N 428.467 0.630 50 20 ICGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 765750694 DWRMVDDENVWRAB-MRXNPFEDSA-N 436.944 0.396 50 20 ICGD COc1cc(OC)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 765969822 BUVJWEXWIHMYMM-SFHVURJKSA-N 446.412 0.857 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNc1ccc(C(N)=O)nn1 771033580 OCNZYCOFUHNDLK-VIFPVBQESA-N 442.295 0.891 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772244601 JWLNCFMGYVGUTO-SNVBAGLBSA-N 431.467 0.090 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 773643978 UHNIHBJSYWVELZ-UHFFFAOYSA-N 433.446 0.878 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 779806243 IYECXZNJFXVOAE-UHFFFAOYSA-N 444.492 0.896 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CCS(=O)(=O)C1 783427250 NRWYYJBJXHGWCB-CQSZACIVSA-N 442.391 0.497 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)ccc1Br 784004483 OOSODRQLYVWNFJ-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 787128202 YATHPWIBHHLIHA-UHFFFAOYSA-N 426.433 0.396 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2S(N)(=O)=O)C1=O 788230670 SOCDVINBEKBMGC-SFHVURJKSA-N 435.437 0.383 50 20 ICGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2c1=O 789044280 MZCOXEUWWKBDCX-UHFFFAOYSA-N 448.468 0.922 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789828850 FVKCSRYZPUIPLT-IRXDYDNUSA-N 436.432 0.210 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@H](C)O)cc1 792163384 YVXIMZCANBKDTP-KBXCAEBGSA-N 434.518 0.550 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1cnccn1 792842568 JIAWEFQEDJDDSC-UHFFFAOYSA-N 447.517 0.210 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 797368717 GEYVIOSASUERQK-UHFFFAOYSA-N 428.401 0.470 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1F 797369271 RNSKMDFPFOMWQO-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD COC(=O)c1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 799232627 KPNITVXHLFGACZ-UHFFFAOYSA-N 427.465 0.628 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(Cl)n1 800830570 BQXBXGTZNKNYFQ-UHFFFAOYSA-N 432.911 0.917 50 20 ICGD Cc1nn(C)c(Br)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 801103706 NWAHOZKIMVFVDF-UHFFFAOYSA-N 444.311 0.816 50 20 ICGD Cc1ccc(C(=O)NNc2ccc(-n3ccnc3)nn2)cc1S(=O)(=O)N1CCOCC1 804950659 CQFAHEFXGWVNOG-UHFFFAOYSA-N 443.489 0.749 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 806975289 SMNAFNHKRROEHD-CYBMUJFWSA-N 446.435 0.755 50 20 ICGD CCn1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 807516347 NMXUYRWPSRLEAF-UHFFFAOYSA-N 436.494 0.068 50 20 ICGD Cn1cnc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)n1 815568647 PEUXALWVSDLVRV-GOSISDBHSA-N 433.472 0.528 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)[C@H]1C[C@@H]1C 815593094 BJRXFFLGXBCOPY-LRDDRELGSA-N 441.444 0.557 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)s1 916232394 JPJFACRWMWFDPE-OAHLLOKOSA-N 438.597 0.660 50 20 ICGD O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 917214190 IBVFFMLFPKZNIN-JTQLQIEISA-N 429.842 0.857 50 20 ICGD CCN1CCN(CC(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C(=O)C1=O 919146516 WUOPTGYATDUQRU-UHFFFAOYSA-N 425.445 0.111 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1325070052 YRUAPGNFPKZJII-CYBMUJFWSA-N 435.506 0.746 50 20 ICGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])c1 1781408116 GJHDOUSJWKAYDQ-APWZRJJASA-N 441.868 0.576 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 1781531477 ONOAIWMUTQBADS-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785546 LSLNRHDIBFQXSQ-IBGZPJMESA-N 440.884 0.851 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4ccccc4)CC3)[C@H]2C1 1783569140 MELDIBOTHVCHNI-NYVOZVTQSA-N 448.328 0.692 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090763 AFXQTXTUUUBTMD-DJIHRAIXSA-N 438.834 0.632 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785075486 KZRSSTARGGBMBU-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786405963 AIPPVLRQFFERQU-NHCYSSNCSA-N 430.259 0.696 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCc2ccccc21 1791385773 OMHMEEHYAQBHFO-QGQQZZQASA-N 448.328 0.690 50 20 ICGD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791677197 YIADZUGROJESCF-GWKIZSTFSA-N 440.305 0.432 50 20 ICGD CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1792978474 DDDINPDLUFPNJJ-PFFSRIRZSA-N 447.960 0.869 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794119484 IVZGOMATDWUGLE-OQMKEHIESA-N 429.926 0.321 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccn2)nc1 1794259630 AMROLHOQOGKZPG-KYHPRHEASA-N 445.907 0.996 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795443844 ZRKRHOIAEFNWNB-XLMAVXFVSA-N 445.402 0.245 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1F)C2)c1ccc(B(O)O)cc1 1795735083 LOWCGAVPVMXOOR-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1ON=C(c2ccccc2)O1 1796188743 OFARCFTXDQMRQF-ISJRUSPKSA-N 449.272 0.353 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192902 XBHKSDJXPWVCET-BCDXTJNWSA-N 445.325 0.533 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2)[C@@H]1SC(=N)NC1=O 1796421821 GFTUBBVQVTWZMV-WJTVCTBASA-N 430.958 0.643 50 20 ICGD CSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798331794 QKLVOBGLCHELHM-ZSBFGKGUSA-N 435.550 0.380 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1ccc(F)cc1 1799034745 RYBTWPMNWUWMLI-AODNKKSCSA-N 441.887 0.998 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1O 1799469130 WGQFGHHUGRCAPZ-CCWDJLKJSA-N 439.472 0.216 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccccc2C1 1800678989 OJSYXPLZJXYABN-CUDBPUKSSA-N 448.328 0.375 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(OC)c1)C2 1800973564 FRTCNPCABDQYIK-HIRMHNASSA-N 425.913 0.866 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)on1 1801278771 PCJKKAJPCSWTCY-BHTPPFENSA-N 442.476 0.249 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803613668 XDGUNUUUHKGQLO-MEGFKASBSA-N 439.321 0.488 50 20 ICGD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1805687404 MKDZUYYONZSMAT-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369320 GDEFYJWSIHBOSM-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807514170 PPVSMJJZGDOOLE-AVRDEDQJSA-N 447.304 0.057 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972011 IFNQUNZCJOKGRX-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1810297180 BBFIOXNNPSOQSX-QAPCUYQASA-N 433.472 0.703 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303949 XYXNGXSGEGQAJN-BEFAXECRSA-N 448.487 0.745 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cc3cnc[nH]3)C2)CC1 1810840424 IDDRWULODSMCMM-UHFFFAOYSA-N 425.493 0.496 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1812416963 MTEVVTDGUSAVRA-FOIQADDNSA-N 448.487 0.366 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813009335 MBYCNMOLSWNMQO-PAXLWEDBSA-N 437.305 0.696 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074997 YNTRGWZRPCYEBO-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccn(C)c2=O)n[nH]1 1815418040 HVDNHKRRXTXTSK-MRXNPFEDSA-N 443.508 0.787 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471615 TWIVCLWVZBQCRI-QGZVFWFLSA-N 427.314 0.784 50 20 ICGD CC[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617216 IKZCZPHBJDHKSC-GMOBBJLQSA-N 431.356 0.951 50 20 ICGD Cc1cnn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)c1 1827054547 GKZMZBZPKZLCCA-NRFANRHFSA-N 438.337 0.805 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829799100 BZDDKQWPZMSAJT-KBXCAEBGSA-N 429.926 0.694 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830532929 BBOFEIWWNDZMHO-JCKWVBRZSA-N 448.358 0.389 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736068 REKRYSHITUGSHU-AUUYWEPGSA-N 440.859 0.372 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831475533 MBBOSXUIHOLPEC-LJQANCHMSA-N 429.590 0.209 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)CC1 1831942084 ROEMAUPDDDMJJK-MSOLQXFVSA-N 435.569 0.505 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835766828 PXSWTYOWHZSCTE-XLIONFOSSA-N 430.977 0.226 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625702 HNCIFCSDJHUIDF-OXQOHEQNSA-N 438.912 0.884 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1837770468 PEESIDYCXVQQSB-CQSZACIVSA-N 443.335 0.720 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152056 MFBHTPKIIPUGNM-DLBZAZTESA-N 435.308 0.872 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203306 HTPUQEUINRAWSC-SUYBPPKGSA-N 447.305 0.899 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839519224 BYAJVMIJBBLIBV-KDOFPFPSSA-N 427.910 0.899 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cnn1C 1840031088 FKEJABFVYICTMN-YVEFUNNKSA-N 429.315 0.582 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033859 SPOYIGRTBKLOEA-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840152080 WTMBQHCLPWTHBT-RHSMWYFYSA-N 435.308 0.247 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840152440 IEODFXMSCPVAMC-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188272 ABDVUHYNMJBJLD-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840462607 LOKCRLIFMSTTHH-KBXCAEBGSA-N 443.342 0.450 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1841427069 CKQRAWPRCBKMFG-KBPBESRZSA-N 431.917 0.425 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011573 RNULMYOBHOOGBU-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011656 BSFAPHRZHGEUAI-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843998018 YFVMKEXGYLLSSW-LBPRGKRZSA-N 438.326 0.865 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1C 14318422 WXUQPOPOHGPYPI-UHFFFAOYSA-N 443.504 0.691 50 20 ICGD O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(S(=O)(=O)NC2CC2)c1 17195147 GCCOJGBEJBIODF-UHFFFAOYSA-N 427.442 0.439 50 20 ICGD COc1cc(I)c(C(=O)NNC(=O)C(=O)NC2CC2)cc1OC 110173877 LKDURHJJUICCBU-UHFFFAOYSA-N 433.202 0.348 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 726614371 RITPHEZEHVGACY-KRWDZBQOSA-N 434.518 0.815 50 20 ICGD Cc1cc(C)n2nc(C)c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2n1 728330184 FUKXALJHZKAGAZ-INIZCTEOSA-N 439.428 0.799 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 729511922 WKFNJEMYPVYVRT-QGZVFWFLSA-N 425.449 0.753 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 730131249 PQDFXHRKBBOPMR-MRXNPFEDSA-N 443.552 0.777 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)nn1-c1ccccc1F 732259922 LEWQLEWTORAOEJ-GJZGRUSLSA-N 431.468 0.940 50 20 ICGD COCCOc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 732387997 LPLCSYNHZNESJE-GOSISDBHSA-N 430.413 0.856 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COCCOc2ccccc2)CC1 735117038 LZXYCGWLENBBCV-UHFFFAOYSA-N 449.533 0.556 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 740851790 WFHPSSLIJCWKAI-UHFFFAOYSA-N 440.522 0.546 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)NNC(=O)c2cccs2)C(=O)C1 741373457 OMBYFJRWIAEBOX-UHFFFAOYSA-N 440.478 0.132 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NNC(=O)c1cnn[nH]1 742070279 ZBFZDJNQAGMUAI-CYBMUJFWSA-N 434.254 0.557 50 20 ICGD CCO[C@@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)n1 744412802 SOMGFSSRXQKSRM-AWEZNQCLSA-N 434.472 0.885 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2c(s1)CCCCC2 746385529 FZAYFUWSESBWFH-MRXNPFEDSA-N 434.562 0.959 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 746761208 JJRFHDPLOOOUIK-UHFFFAOYSA-N 435.488 0.556 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 748641397 XCCXMLKRXMFFHG-UHFFFAOYSA-N 440.503 0.539 50 20 ICGD COc1ccc(Br)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 751283001 SEMFTXCZKFMONM-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1Cl 753774723 NAKVQMFLTIOKKQ-SECBINFHSA-N 425.872 0.026 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCOC(C)(C)C3)nc2)CC1 754672470 APMMWKBRSXVWCN-AWEZNQCLSA-N 426.543 0.601 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 756279537 FZRGBMWQQUIFFK-SNVBAGLBSA-N 435.959 0.984 50 20 ICGD COC(=O)c1cccc(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 758068813 OMEFWKAXZQKWBL-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 763532916 XGZSPQNSMFDDIS-WMHQRMGPSA-N 449.508 0.429 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763578314 OKCFIPYKDNPLRK-MRXNPFEDSA-N 429.385 0.408 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 763668487 MVQMXMWLDAKJSD-UHFFFAOYSA-N 441.423 0.892 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1S(=O)(=O)N1CCCC1 763880876 AMOXJMWHAPSBAU-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cc2c(cc1Cl)OCCO2 763920616 ANRKRZMTOKUBLH-UHFFFAOYSA-N 443.807 0.487 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1NS(C)(=O)=O 764319775 STUJEZLGKHRTSZ-UHFFFAOYSA-N 438.437 0.534 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 764393933 LANYOWGFZQKPKR-UHFFFAOYSA-N 432.458 0.438 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(F)cc2Br)n(C)c1=O 767791678 WDQZYFAUXKIWQA-UHFFFAOYSA-N 437.229 0.486 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767853803 ZDZJKKWEFCSPJT-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD COc1cccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1O 767888531 HYBUXTOJPLZLCO-UHFFFAOYSA-N 427.461 0.686 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)Nc2ccccn2)cc1 768581548 RZEGXPJTHVKYEG-UHFFFAOYSA-N 436.519 0.726 50 20 ICGD Cc1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(N)n1 769470611 LWTWFLYGMIOPFH-UHFFFAOYSA-N 440.485 0.921 50 20 ICGD COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nc1I 770264604 IMMQYTIKZFKRKS-SECBINFHSA-N 439.275 0.801 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)nc21 770979775 JEVHCWMTWJKROD-OCCSQVGLSA-N 427.421 0.284 50 20 ICGD NC(=O)c1cc(OC2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)ccn1 771955617 AUAXCUQKZBDALM-UHFFFAOYSA-N 446.489 0.256 50 20 ICGD CN(CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cccs1 772017293 UUKFRPXWPVITRJ-AWEZNQCLSA-N 440.503 0.539 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2cccs2)CCO1 773270017 YZJODRLENQKIAY-LBPRGKRZSA-N 441.510 0.444 50 20 ICGD CO[C@H]1CCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 775458677 MRVWORAADHUAMJ-HOCLYGCPSA-N 426.543 0.459 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 776873466 PZUXMJGGADZUNJ-HXUWFJFHSA-N 432.408 0.908 50 20 ICGD O=C1CCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(F)cc2N1 778706471 RPRNXRXUIXZALU-INIZCTEOSA-N 428.376 0.636 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)sc(C)c1CC 783428692 YYSQUVOEWWGRTH-QGZVFWFLSA-N 431.536 0.932 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 784212942 IDPXDPGFPJWCRL-UHFFFAOYSA-N 432.458 0.980 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCN(C(C)=O)C2)nc1 793320498 URGFDOKYSHPPRH-OAHLLOKOSA-N 426.543 0.997 50 20 ICGD C[C@@H]1CSCC1=NNC(=O)C[C@H](C(=O)NN=C1CSC[C@@H]1C)N1CCOCC1 794911901 SYSJVKPCQUWWMY-DVOMOZLQSA-N 427.596 0.788 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2)c1 799518508 NJGSKBVNGHAXCO-MRXNPFEDSA-N 446.485 0.926 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 802069004 SWUPXZLBDUASBY-KUDNYVPYSA-N 432.458 0.050 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3F)c3ccccc32)N1 806972760 KJHXXCUNUNCVGL-KGLIPLIRSA-N 440.431 0.622 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)ccc1F 806977408 HXFMDCHAIRWVJW-UHFFFAOYSA-N 445.432 0.682 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 807460919 NIOQTQPGENVLER-HNNXBMFYSA-N 437.522 0.714 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 815778385 OTWXWJHINUKRHK-QGZVFWFLSA-N 431.470 0.925 50 20 ICGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)COc1ccc(Br)cc1 816810587 RPUZUGVKWFAHNL-UHFFFAOYSA-N 429.296 0.472 50 20 ICGD CCCCn1c(N)c(N(C)CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(O)nc1=O 822025332 UEXLUTOVNJUVIP-UHFFFAOYSA-N 448.480 0.246 50 20 ICGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)=NN1c1ccccc1 913254653 NEAZOYPTZXLNNT-MRXNPFEDSA-N 443.847 0.764 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@@H]1CCS(=O)(=O)C1 914838626 OFIYTDWTUUAIEB-CQSZACIVSA-N 432.568 0.306 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c2ccccc2c1=O 915190550 FILUKPPLEKWIHL-UHFFFAOYSA-N 449.514 0.608 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916144854 RLXMDTGMWKECBM-KRWDZBQOSA-N 436.411 0.341 50 20 ICGD COC(=O)COc1cccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 917680017 ZQSVKRSILNOPOT-UHFFFAOYSA-N 434.474 0.915 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H](C)OC)N(S(C)(=O)=O)CC2 917767991 SZUZACNUXWTLTH-BXUZGUMPSA-N 429.495 0.135 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 919833812 DEPJRTTZTXQSEX-UHFFFAOYSA-N 430.486 0.904 50 20 ICGD O=C(NNS(=O)(=O)c1cncc(Br)c1)c1csc(N2CCOCC2)n1 920758427 XNFPAIBGWAVZLN-UHFFFAOYSA-N 448.324 0.761 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1 920932209 YZPSZJDRWUKQAR-UHFFFAOYSA-N 435.404 0.181 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN(c2cccnn2)CC1 1116782007 CEIBEBRKXHEPIR-UHFFFAOYSA-N 425.497 0.482 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1251654353 YORMZTJMXPVHLA-AWEZNQCLSA-N 439.310 0.391 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c2ccccc2c1=O 1317863730 KUIVCBLXXCKFHY-UHFFFAOYSA-N 438.444 0.775 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1336956469 QZORLBBAJNUQJQ-LBPRGKRZSA-N 438.531 0.986 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)CC1 1338560928 FSVFVJPCWAPMGX-UHFFFAOYSA-N 444.584 0.582 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779721835 LQQSCWSHZSESDR-GOSISDBHSA-N 435.698 0.234 50 20 ICGD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)=Cc2ccccc2N1 1779984104 SCLGTXUWYFGHCC-UWJYYQICSA-N 433.892 0.842 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781230503 TUSMYTMYPVOPIK-RLCCDNCMSA-N 426.297 0.117 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783340911 AEVGBKNYOMGVIB-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-n4ccnc4)ccn3)CCO2)C1 1783881630 LKWHAIODAGWSME-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1784453070 HTQSDFWRJZSIDS-VOAKCMCISA-N 425.345 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 1784740277 TXKXEDLNIHQCJR-QFIPXVFZSA-N 434.512 0.961 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784935676 QQZYXVAGAPBBAS-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785080517 ZITLEHZUONAVQI-XDHUDOTRSA-N 447.300 0.751 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785085411 FAWIFDNMUPJDII-NRFANRHFSA-N 448.206 0.541 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1785296866 LKBUHJFUUJIISY-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786984278 XTUYZCSRXIRIHH-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cccc(=O)n3O)cc2)CCC1)c1ccc(B(O)O)cc1 1787078529 CGTLIKPRIZVIQB-UHFFFAOYSA-N 447.256 0.827 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C[C@@H]21 1791288530 AOIUQMWRBSVDOQ-JYJNAYRXSA-N 437.928 0.701 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290871 BGHRCVXQLBDVLV-XIRDDKMYSA-N 449.577 0.770 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)C1 1792972723 KYGICYVGCXNUJP-IIEFLBBWSA-N 435.290 0.856 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793456060 WPNRJYBDVNHDPU-NWJSVONSSA-N 433.983 0.844 50 20 ICGD Cc1ncc(Br)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794315730 MZDUXRVJYPEYHB-JLUCKKNBSA-N 446.729 0.955 50 20 ICGD CC1=CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797750594 KZSQYYFVZYGUAB-OAFZBRQQSA-N 427.505 0.635 50 20 ICGD COc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801008809 CLOJFPWDYXLJOG-YDGKCNFYSA-N 446.548 0.761 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803140158 YKERKXJNPQZXHI-SOUVJXGZSA-N 429.868 0.439 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803143140 VHHWPAVINIWAGS-DJIMGWMZSA-N 431.880 0.721 50 20 ICGD CC1CCN(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CC1 1805813639 XKGYHUJBTULBCD-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nccs1 1805937561 VFSGNEJAHVCOLJ-WMZOPIPTSA-N 436.302 0.851 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806697397 KPVQWQICSRHIJN-CYBMUJFWSA-N 443.342 0.943 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807367319 YWHJTBWSBZSNAK-QKYXUNIQSA-N 425.294 0.364 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1808660650 BDDOLYVHSVKFMS-QHSBEEBCSA-N 444.305 0.371 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1813068172 JCVXJSRWNFOPNG-YWZLYKJASA-N 441.492 0.270 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1821497512 NJRQWMAHWXHJDL-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCCC1)CC2 1826085324 MVCWOPPLQZDBNU-CQSZACIVSA-N 436.582 0.914 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833163292 PFDBPECKQQCUGH-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835292836 MBAFHTBAWPOPIE-SIXWZSSISA-N 441.322 0.960 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837020514 QTQADULFBOFLTB-BEFAXECRSA-N 437.884 0.053 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799202 WSTLFVWHAFQTJE-BMIGLBTASA-N 446.258 0.171 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838375962 RIIJBGFKHKSOTD-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839151461 RZNULYOQSUDEJL-QZTJIDSGSA-N 432.304 0.626 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200900 RTTMYTTUGMHUQV-UMFZYTJCSA-N 443.335 0.292 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378830 IHJNDIHUFCLPDT-GUYCJALGSA-N 431.946 0.761 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCC1 1840614093 NGMQOGUYVPIJQB-NRFANRHFSA-N 438.569 0.642 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1840788476 LZPFQQMWPNSOSA-JXFKEZNVSA-N 441.887 0.993 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014509 RMQAYLIVTCHWOA-UHFFFAOYSA-N 435.289 0.439 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl)C(C)(C)O 1847568666 HPHWYUMACOFEOU-XDQVBPFNSA-N 433.933 0.452 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1cnc2sccc2c1=O 10292109 ORWMNLVMKAKKKI-UHFFFAOYSA-N 448.530 0.911 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 729274552 RKMRNOIYLYOABD-ZDUSSCGKSA-N 439.515 0.359 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2F)C[C@@H](C)O1 729276986 QJOQLMOIHUKLOH-IJLUTSLNSA-N 431.490 0.530 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O 729617737 GGYAYEUEFABTAW-CABCVRRESA-N 428.493 0.785 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1OC 730579582 YLQJMGWMOSNRRE-UHFFFAOYSA-N 432.524 0.026 50 20 ICGD CC(=NNC(=O)c1ccnc(N(C)C)c1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 731560816 CLKHNTWBIZXXAJ-UHFFFAOYSA-N 430.534 0.896 50 20 ICGD Cn1cc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(C)c1=O 735115824 PJXMISMYMVZHEA-UHFFFAOYSA-N 429.458 0.642 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 740813743 SNQUNTGWFPPZCG-UHFFFAOYSA-N 445.545 0.730 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=S)NCCNS(C)(=O)=O)cc1Cl 741865850 HPLDTOWUOUJFPZ-UHFFFAOYSA-N 425.920 0.407 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1OC(C)C 742481064 QIFWIDKBRYVTOZ-UHFFFAOYSA-N 449.485 0.816 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 743578197 VEKKFFKDUJMNSE-PMPSAXMXSA-N 425.445 0.497 50 20 ICGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 743591876 JGKJSVLJSYZDLI-UHFFFAOYSA-N 435.528 0.144 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 746623250 HVZJDKHWTZPRCF-OAHLLOKOSA-N 425.449 0.787 50 20 ICGD COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 747408197 AJFFRWKMZSZHSM-OAHLLOKOSA-N 433.486 0.958 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 747472779 CBPYTJWAHZYMSO-GFCCVEGCSA-N 438.531 0.488 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CC(=O)N(C2CC2)C1 750654811 IBFVDXBOVWGUPG-AWEZNQCLSA-N 435.506 0.178 50 20 ICGD CC[C@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)C(=O)N1CCOCC1 753046130 CRWKISYSORTURE-AWEZNQCLSA-N 443.298 0.796 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 755846645 MYYXKUZBLPGDPJ-UHFFFAOYSA-N 426.433 0.481 50 20 ICGD COc1cc(Br)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 756182966 JCRPFTVZSMQVPE-ZETCQYMHSA-N 439.288 0.557 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 757872237 WPPFYFUBQBCSBL-WDEREUQCSA-N 440.469 0.396 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)NCc1ccccn1 758066518 CSGLKAOMSAYZJO-UHFFFAOYSA-N 444.473 0.296 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 760798495 GOKLURHDTKVKBT-OAHLLOKOSA-N 436.513 0.553 50 20 ICGD CCOC(=O)C[C@@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760878664 MYXUCMLHKCPRTM-CQSZACIVSA-N 442.542 0.233 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1C 761686546 KZLBLTUBDXSEBJ-UHFFFAOYSA-N 432.502 0.795 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 761947837 WZMLFBDZYOEUIW-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc2c(cnn2C(F)F)c1 763921552 LZWYJWLJHZOADC-UHFFFAOYSA-N 441.358 0.807 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cnn(Cc2ccccc2)c1 763922658 XTVCMDDUDLIOPE-UHFFFAOYSA-N 431.416 0.307 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764077182 MIZWQZKHSKTEMM-XQNSMLJCSA-N 435.506 0.776 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n[nH]1 764108754 NIUMKTWCVUNKIO-LBPRGKRZSA-N 448.505 0.538 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764143022 NNEOFMKLNVBWFF-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc1S(=O)(=O)N(C)C 764198858 ITVDTZXVAWIBGV-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD Cn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764203965 QLFJUGZHQWTVNL-UHFFFAOYSA-N 445.480 0.873 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 764231830 QHNTTYMSGDXDJL-LLVKDONJSA-N 426.470 0.069 50 20 ICGD O=C(CNC(=O)C1CCCCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737546 GIQGWGNSGYJRES-UHFFFAOYSA-N 429.521 0.288 50 20 ICGD Cc1nc(S)sc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644595 ABZIOUWWRNXCAE-UHFFFAOYSA-N 433.559 0.888 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 768267776 CGPBFXBSFBWIAT-GFCCVEGCSA-N 445.505 0.501 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F 768565817 LBYQWYULCRYMFA-UHFFFAOYSA-N 429.813 0.988 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cn1 770465060 UDGLOCMMQLRERP-UHFFFAOYSA-N 426.838 0.261 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 772001156 AYYCJZHCMAWWRV-OLZOCXBDSA-N 429.495 0.085 50 20 ICGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 779530892 BGBGTOCUGFUOKT-UHFFFAOYSA-N 426.433 0.396 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCS(=O)(=O)C1 783427181 MKCTUIVWBHDUAH-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 790390582 SSMHRLFRUAUZTL-SSDOTTSWSA-N 432.293 0.144 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)c1cnn(-c3ccccc3)c1)OCC(=O)N2 797430913 XBNHLCPFUSKYKT-UHFFFAOYSA-N 443.441 0.835 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@](C)=O)CCC2)c1 798121158 SCTCRJPJXHEJNT-NDEPHWFRSA-N 444.579 0.962 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1OC 799121629 IHGAWRSWIYKGRT-UHFFFAOYSA-N 442.471 0.509 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800622970 XGCRGJMDEHKNPH-UHFFFAOYSA-N 430.509 0.999 50 20 ICGD Cc1nnc(NNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1O 810006688 NUSDJRBPOSXKFF-UHFFFAOYSA-N 440.791 0.979 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 811683194 RBEPBUOVXYMMRK-UHFFFAOYSA-N 447.469 0.954 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 912924814 RFHBXTLNGKTVQS-STQMWFEESA-N 432.930 0.265 50 20 ICGD CCOC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc1C 914877995 MTFIBSANHSXLHT-QGZVFWFLSA-N 443.412 0.711 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 915906078 HDJLOGAIYPHDRW-UHFFFAOYSA-N 441.492 0.701 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 917720090 GHZDAPJROZJTSF-UHFFFAOYSA-N 431.474 0.911 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)nc2ccccc21 920285360 RBEBMRDHCKFPLH-UHFFFAOYSA-N 431.430 0.889 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 920832898 MROHOPUJPDSGNL-UHFFFAOYSA-N 449.327 0.887 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cccn2c(O)nnc12 1777955513 KTTNMRZLTHNOHP-IQUTYRLHSA-N 437.884 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778020584 SIYINUXDPSCIMB-AEDCBLDQSA-N 428.873 0.269 50 20 ICGD Cc1cc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1779132152 REWFBLRKHXYDEO-GMKGHPLGSA-N 440.460 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1)C2 1779375424 NTKGVGPKJBSPLG-CSODHUTKSA-N 447.561 0.708 50 20 ICGD N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771891 RFYPOMDHJPVPSE-GLXFQSAKSA-N 425.324 0.817 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1782612719 CPWIWNHSHRLHML-IAXJDVGUSA-N 432.525 0.291 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1783935992 ZOKIJCRXRPIZOA-LJQANCHMSA-N 425.436 0.176 50 20 ICGD CC(C)(C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1784275487 RWVBOJVLCZIOSC-HSZRJFAPSA-N 437.305 0.183 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n1 1787750702 IARHQZNVHNIVSW-IMIFBBOLSA-N 442.856 0.191 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1791055673 DDYOJENOYKQYDZ-RFGFWPKPSA-N 432.315 0.592 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21 1791289060 GWYPMKCYFVGPMX-SZMVWBNQSA-N 442.520 0.481 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ccc1O)C2)[C@@H](O)CCl 1792979023 QVYDOMKMGHKEJX-OWLDWWDNSA-N 447.713 0.958 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1793797283 VCRGFOMWIMEGQW-BBIADKPPSA-N 430.549 0.809 50 20 ICGD O=C(Cc1ccccc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795227499 KQYCOVKPNGSFQQ-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795732977 UAWMIBYUFLCOAZ-HNJRGHQBSA-N 426.253 0.280 50 20 ICGD Cc1cc(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797752746 DLXCHHMQXQTXAV-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803402623 RFSNALDIBLXMRK-ICSRJNTNSA-N 437.305 0.696 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncs2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365611 VWJDWJVUPNMLRT-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813029927 BJMWKVBJZCESHY-YTQUADARSA-N 445.712 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1813073692 KQCZWPPXZCFWEP-UTKZUKDTSA-N 431.537 0.766 50 20 ICGD CC(C)O[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357064 XQBDKAKXURULRL-DOMZBBRYSA-N 431.323 0.862 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](O)CC2)n[nH]1 1822541135 OEDACSQNFSUIJZ-LSBZLQRGSA-N 440.309 0.947 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1822863051 FHYWKQNOYJTKPB-LGZSNQIQSA-N 436.365 0.884 50 20 ICGD O=C(c1snnc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728625 WMGMYSJOFQOEPY-YVEFUNNKSA-N 430.914 0.085 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831074211 YNXRXCKXKOYOAO-LAUBAEHRSA-N 429.370 0.940 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832815266 WBULXOSXODGQCD-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)no1 1832926905 WREXQALSMODIBN-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833767960 IQSOMMATHZQDES-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819436 QXPNDDJCYPSXND-SFHVURJKSA-N 442.310 0.945 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)on1 1834819542 QSVCWRQPJHFRFP-KRWDZBQOSA-N 430.299 0.767 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834823985 PHRCVBPUWZUOAJ-MAUKXSAKSA-N 432.359 0.570 50 20 ICGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c2c1CCC2 1835394708 PLLDXFGPQJNWAX-GOSISDBHSA-N 437.972 0.694 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837454582 FABZQGKYFOCTOH-AUUYWEPGSA-N 443.884 0.562 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1O 1838972534 HKARHISPEGEZLP-HNAYVOBHSA-N 428.869 0.071 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839144766 KFZGCMNOBGJEBT-HNAYVOBHSA-N 428.917 0.617 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839215434 QSGMFAJFVVSAMC-MORSLUCNSA-N 436.336 0.300 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839455967 VAKVXPVHSYUQJK-HNAYVOBHSA-N 432.851 0.943 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1839965691 HSFNDFNFMPEWFB-QWQRMKEZSA-N 446.342 0.237 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1840152037 VFJATCUCDISNLA-SQGPQFPESA-N 433.977 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840152174 AGNIYXHNZBFFDO-UZLBHIALSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840444216 GQYYMLNUQQFALQ-GRDNDAEWSA-N 429.315 0.684 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1840528990 CCQOYYWPXLXWJR-BSRJHKFKSA-N 444.337 0.263 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844692620 QUXLEUOXKAVNGM-HNNXBMFYSA-N 447.448 0.784 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnc(O)[nH]1)C2)NC(=O)NCc1ccccc1 1845038926 JJVMUDJOGVFYRF-UHFFFAOYSA-N 441.492 0.279 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845429725 KSJSKFQSMDZAEH-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)N(C)C)cc1 726103492 RIGVAQLLMIRDRM-LBPRGKRZSA-N 437.478 0.351 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2c(Cl)cccc2Cl)n(C)c1=O 727792815 RZZNLPSADSFSAG-UHFFFAOYSA-N 439.259 0.592 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCS(=O)(=O)C1 728177142 XCJFFOVNQRIUDK-AWEZNQCLSA-N 449.620 0.958 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1)S(C)(=O)=O 732244025 AYUSIBCBBOXUGU-UHFFFAOYSA-N 439.519 0.404 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 733775085 XHEYGCYSZQWRKA-OAHLLOKOSA-N 435.396 0.953 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)CC(C)(C)C)CC1 735113790 UDDCJZDKSQBTHA-UHFFFAOYSA-N 425.555 0.889 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 738450937 TZEDVZNWKMXTCR-UHFFFAOYSA-N 425.493 0.798 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 742027349 SGGLQMWLFUFSHM-LLVKDONJSA-N 432.911 0.578 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 743829959 HWFXYDHBPIPLGN-UHFFFAOYSA-N 431.430 0.760 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cc(C)ccc2C)c1 744564879 GVIZEHHOEIZPSX-UHFFFAOYSA-N 433.486 0.895 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2[N+](=O)[O-])s1 746092802 DNRCBGGNBPZVRT-UHFFFAOYSA-N 427.464 0.714 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 747585756 TTYRDEHOXDMENZ-UHFFFAOYSA-N 430.896 0.957 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2F)cc1 747617692 JEMKNWQWZXWDBF-UHFFFAOYSA-N 429.813 0.917 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n[nH]1 756796754 MSTXIKKMFHPAPS-UHFFFAOYSA-N 426.437 0.837 50 20 ICGD O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(S(=O)(=O)CBr)CC1 758519011 VICVWEIIRIEGDM-UHFFFAOYSA-N 445.295 0.330 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(I)c1 760311229 MCNXWRPCICUCTB-QMMMGPOBSA-N 438.243 0.496 50 20 ICGD C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 762326037 GRGGSNLXAJVJKJ-OLZOCXBDSA-N 427.502 0.700 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc2ccccc2n1 762964557 PKANHPNUTRESMI-LBPRGKRZSA-N 441.469 0.462 50 20 ICGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)ccc21 763880451 FNKSOUFSZTYXOO-UHFFFAOYSA-N 440.460 0.804 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 764204535 XWMIIACGVBJQME-UHFFFAOYSA-N 425.417 0.315 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)cc1 764232078 QYPXMKHFCGNKFR-LBPRGKRZSA-N 435.462 0.206 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cccc1C(=O)N1CCSCC1 764266406 DHMGETOXSPGWAL-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1c[nH]nc1C 764297633 GITYYGCYDKUHIS-UHFFFAOYSA-N 448.505 0.099 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764367977 QPVHDYMFZXDMTR-UHFFFAOYSA-N 440.500 0.864 50 20 ICGD CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764426171 UBWODYUHIBDHGJ-GFCCVEGCSA-N 427.479 0.625 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NCCc1cccnc1 764519671 VKSLONPXQDKKPZ-UHFFFAOYSA-N 426.546 0.577 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 764548674 VFNAVDYDWNLLIE-ZDUSSCGKSA-N 440.485 0.502 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 765390297 LFPGWCLNTWCLFI-UHFFFAOYSA-N 449.508 0.854 50 20 ICGD CC[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C)cc1 765725490 SQAVVAJVPFPTSQ-CQSZACIVSA-N 426.477 0.473 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc4sccn4c3=O)CC2)cc1 765748811 QYEJWJVUUAUYLY-UHFFFAOYSA-N 440.529 0.643 50 20 ICGD Cn1c(O)nc2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)ccc21 766644780 WKNRWTADCVFCHA-UHFFFAOYSA-N 436.472 0.498 50 20 ICGD CNC(=O)CC(=O)NNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 771838969 AGYCPMUDXWSCKP-UHFFFAOYSA-N 437.434 0.983 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 781378405 IRXVPRIVWQMEPF-LSDHHAIUSA-N 440.570 0.968 50 20 ICGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2C1 782673159 FHCFMAMIFJXBME-UHFFFAOYSA-N 448.505 0.955 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 788169234 KPPPGUQXBFEIJT-UHFFFAOYSA-N 427.527 0.328 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccccc1O 792148973 UPCOVQHWVGQTAE-QGZVFWFLSA-N 429.351 0.550 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 793223693 NLCTWYYMUXWRGC-UHFFFAOYSA-N 428.449 0.654 50 20 ICGD CC(C)(C)OC(=O)NCCc1nc(C(=O)NNC(=O)CNC(=O)c2ccco2)cs1 793335714 GXQFTUHXAXSSJN-UHFFFAOYSA-N 437.478 0.994 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 794071317 HTENVYWEDZRAIW-KRWDZBQOSA-N 438.440 0.579 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368681 FTWMVVLWJVUISN-UHFFFAOYSA-N 431.405 0.122 50 20 ICGD CC(C)(C)c1nsc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1 797369320 SMQKTXDGMXXEPF-UHFFFAOYSA-N 434.478 0.848 50 20 ICGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 799529704 QCBFXIBWGXVSIL-UHFFFAOYSA-N 433.490 0.879 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(-n3ccnn3)c2)c1 801796019 DCNKYUCXUAQMCQ-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Nc3ccc(OC)cc3)cc2S1(=O)=O 802060057 DIWJNZFJFHSBHY-UHFFFAOYSA-N 448.457 0.953 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 802069001 SWUPXZLBDUASBY-DPDCMNJDSA-N 432.458 0.050 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806976868 NMXQZISWKLWRIL-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806977317 DMHDRTUDDDTJHI-MRXNPFEDSA-N 440.387 0.569 50 20 ICGD CC(C)N(C)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812511935 PLBKNKCWGPZZPJ-HNNXBMFYSA-N 427.575 0.373 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccncc3)c2)ccn1 815569990 NJJHSOIRZOGZBU-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 825624468 NDWUGVSVYVOFFF-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNc1nc(C)cc(C)n1 837302287 AGEHHRFTLYEZKI-HNNXBMFYSA-N 435.506 0.778 50 20 ICGD CC(=O)NCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916519390 FHSGAWKFHULFCH-UHFFFAOYSA-N 425.511 0.331 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccccc2)n1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889867 VSGJNZOVLBYYKP-GFCCVEGCSA-N 437.503 0.455 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1CCS(=O)(=O)C1 920815029 HSZGHHINDMJXLW-ABKXIKBNSA-N 429.907 0.851 50 20 ICGD O=C(Cn1cnc2ccccc21)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921018992 GMZKNIWEGFVECF-UHFFFAOYSA-N 448.530 0.563 50 20 ICGD O=C(COC(=O)c1cncc(OCC(F)F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 1256645887 ZDNZEQYIAJILTD-HNNXBMFYSA-N 437.355 0.870 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3cncn3-c3ccccc3)ccc21 1318072963 UBVVZWJOQPQYBS-UHFFFAOYSA-N 426.458 0.686 50 20 ICGD O=C(NNC(=O)c1cccc2ncccc12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1322563243 QIPTZGHTMZVUIL-GFCCVEGCSA-N 429.458 0.161 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705579 BMHIIQQVJCIEBX-XOBRGWDASA-N 436.896 0.753 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1778354454 KVZKFHUPKKIWKX-RBUKOAKNSA-N 449.379 0.217 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779033773 DSAYZEGEOGHPCY-NRFANRHFSA-N 427.461 0.273 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)c1c[nH]c(=O)cn1 1780121232 HRUVZFGTTLOLBB-CXAGYDPISA-N 427.299 0.682 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331739 VHQLTECSIZIZQJ-MEDUHNTESA-N 442.245 0.569 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782218290 KCGVRVVQEUZAEW-BMLIUANNSA-N 430.292 0.507 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1783740893 WGMBAIRXLDRLLV-HSZRJFAPSA-N 436.273 0.001 50 20 ICGD O=C(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)Nc1ccc(F)cc1 1784092337 HQJXBELQGKDRDJ-STECZYCISA-N 441.887 0.734 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@H](F)Cl 1787444023 JFQPMQODMFGGRS-TZANDKBRSA-N 442.875 0.507 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788615031 NLXNKAMHMCOSRU-NEULZYRMSA-N 439.409 0.686 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791154145 OHXMYXALTLYXPL-FQKPHLNHSA-N 433.933 0.479 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1795111413 JPHRFNBGTUFORP-DRXBFXEBSA-N 444.351 0.853 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn1 1796189251 QFWYJBFBTWOWBW-BCDXTJNWSA-N 437.261 0.114 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ncccc2c1 1796806480 ZNDVUXJNGJHLFO-HATOLVCRSA-N 445.284 0.432 50 20 ICGD COc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798335517 JLHUFBXSNAZCRB-DRXBFXEBSA-N 445.501 0.272 50 20 ICGD C[C@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799869996 XBOVBEKHBKLBDV-KANFNMMFSA-N 444.536 0.105 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1800638905 CHWVDXVZPRJAHV-OXIQGZBJSA-N 429.315 0.805 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1803009292 SKFVNHVLUCCZKQ-IVMMDQJWSA-N 436.314 0.805 50 20 ICGD COc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cn1 1806333608 NLDBGISTZZEHCX-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD COCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806745931 DUHZWQMRZQDZPN-KXBFYZLASA-N 426.477 0.436 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361777 CZGGCTJTABPEDM-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969317 PSMHNXNIOGVDNL-UHFFFAOYSA-N 429.326 0.080 50 20 ICGD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)C1 1813072164 CKECIHIJUIRRTQ-DXIQSLLYSA-N 444.580 0.802 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473482 WAORZDNSBOEEKN-KRWDZBQOSA-N 430.270 0.058 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1817565058 HVQFJOOQXONFQJ-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cncc(O)c1 1822230634 AXQMAXGFRTYBGZ-SFHVURJKSA-N 435.249 0.810 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1825993735 DWWYGHQAMGZZRA-UWVGGRQHSA-N 427.914 0.917 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)no1 1826634671 SEMRACZCGZZSTD-CQSZACIVSA-N 440.290 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCSC(=N)N)CC1 1826881817 SSVLDSXPCKDIMD-MRXNPFEDSA-N 440.614 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3cnccn3)sc2C1 1827018871 ARZSOPOKNNLZRQ-DIECRNLCSA-N 443.533 0.932 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3)sc2C1)c1ccc(B(O)O)cc1 1827284388 JXTLNGLOIPQBBE-UKRRQHHQSA-N 431.348 0.944 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCCO)CC1 1827679206 QRLDDLAHKLVULW-GXDFBKAQSA-N 447.536 0.749 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1828243971 XMIVVXGDIPCCQB-APPZFPTMSA-N 448.979 0.515 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832844208 LZFCLALUFAMEFX-VQIMIIECSA-N 429.876 0.209 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854209 FNBWTEOAGUDRNF-XLIONFOSSA-N 443.903 0.864 50 20 ICGD O=C(Cc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833125165 OFNDFWFCWWSGFH-GOEBONIOSA-N 431.262 0.166 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833529450 BFNLUVMJIXTFQM-INIZCTEOSA-N 441.960 0.517 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cnn1C 1834428255 FCPJFPKZTUFPTL-SJCJKPOMSA-N 429.315 0.582 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1835668810 KWCRSMFSMHJPIU-YKTARERQSA-N 426.989 0.498 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837045230 QRJQPDKRPIFMEM-CXAGYDPISA-N 428.898 0.066 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837808720 VKIBVEDFQIRAOL-DIFFPNOSSA-N 429.315 0.880 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838528826 CXVNWZVCBJIIHD-JXFKEZNVSA-N 425.913 0.863 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838991823 LEIFROVPMMUARP-HSZRJFAPSA-N 446.548 0.692 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201112 RSDBYCSCCCXHMR-KFNAQCHYSA-N 438.294 0.000 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839543240 LOTJGEBDLSWFCB-UWJYYQICSA-N 448.907 0.954 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840032658 GLCIUICDILPKGV-SUMWQHHRSA-N 444.330 0.712 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840151304 YDVZZWYCAPNEGB-ACJLOTCBSA-N 433.839 0.684 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1841907619 INEAESFTYFZFJZ-UHFFFAOYSA-N 437.305 0.328 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1843415908 AZXVMVDAYZYNTF-MMTYYTLLSA-N 443.533 0.350 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844263259 KSSLHOXGXIORPM-KGLIPLIRSA-N 429.477 0.091 50 20 ICGD COc1cncc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)c1 1848187364 GLCCSLJSZUJKIP-OALUTQOASA-N 438.488 0.537 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C1CCN(c2ncccn2)CC1 728959246 ISJPOCIEAUDTQG-QGZVFWFLSA-N 429.525 0.672 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 729258157 FOUCYBOQKMTNLE-UHFFFAOYSA-N 449.471 0.519 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1 730066508 KGPGDEZZFBQVRA-UHFFFAOYSA-N 437.474 0.887 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 731957861 BFUIIRCCBSXUDK-MAUKXSAKSA-N 436.484 0.454 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1=O 733131970 VXUPGSPGDIMDRJ-JKSUJKDBSA-N 436.534 0.184 50 20 ICGD COC(=O)COc1cccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 734517707 UFUXALLKJYLNKM-UHFFFAOYSA-N 449.489 0.676 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741173319 HLDCYQQZDHGBNC-ZDUSSCGKSA-N 438.456 0.820 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 742037002 SNRBYJTXEGRDLL-WCQYABFASA-N 441.485 0.458 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 743289430 UFRLTUASKWKGHA-GFCCVEGCSA-N 445.505 0.555 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2cccc(OCC(N)=O)c2)c2ccccc2c1=O 745899341 LASJKBCFLRYCAR-UHFFFAOYSA-N 438.444 0.425 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(N(C)S(C)(=O)=O)CC1 746855930 LDLGLHMGVGLPJS-UHFFFAOYSA-N 432.930 0.465 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CC1(CS(C)(=O)=O)CC1 747060682 GZSDYFVJUMXDIV-UHFFFAOYSA-N 432.882 0.868 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)N1CCCC1 748249040 CFBGKAZZHIRPES-UHFFFAOYSA-N 427.438 0.447 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748360105 FXODYSQQXCZIHL-GOSISDBHSA-N 446.485 0.465 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)c(OC)c1 758841817 TXFWFAURMKPJJL-OAHLLOKOSA-N 441.444 0.490 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNc3nccc(N4CCOCC4)n3)CC2=O)c1 762854484 AJPJNQXOCLWSBB-AWEZNQCLSA-N 442.476 0.827 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763571878 PKNBQJKCUXKFCV-GOSISDBHSA-N 428.445 0.553 50 20 ICGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790593 KKWBEQULNMUHEF-UHFFFAOYSA-N 439.428 0.741 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 763817578 PKCYICNQJFCRHV-UHFFFAOYSA-N 432.886 0.103 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1C 763841470 RNBOJNJHXPBCSJ-CQSZACIVSA-N 430.465 0.142 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)c1 763995202 OAWXCYHUHLUSAH-UHFFFAOYSA-N 439.222 0.729 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 763998493 LBSZBDXPDKOOSP-UHFFFAOYSA-N 438.488 0.712 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(-n2nccn2)nc1 764063234 LRAJMFFFFYEJPA-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764320388 ZYWRXOKXMNNGHX-UHFFFAOYSA-N 437.449 0.574 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 764350246 BXQYLMSBIWPVJC-UHFFFAOYSA-N 437.412 0.824 50 20 ICGD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764424035 GDGOOGZCRODOCK-MRXNPFEDSA-N 448.476 0.876 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1CCS(=O)(=O)CC1 765757526 ULKUZMXDLKRFNQ-UHFFFAOYSA-N 442.969 0.430 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cc1cccc(NS(C)(=O)=O)c1 767334588 OPZHEFUTVRFECK-UHFFFAOYSA-N 433.486 0.842 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 768243781 GICXGWQBPINUHO-UHFFFAOYSA-N 435.458 0.791 50 20 ICGD O=C(Cc1cccnc1)NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 768500866 WAOCYUZEINFBDU-UHFFFAOYSA-N 426.252 0.978 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 772549841 RVONRJSHRPTVLA-MRXNPFEDSA-N 429.525 0.957 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 776843932 BJGUGZXOFVQQLU-CJNGLKHVSA-N 427.454 0.477 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(O)ncnc3cn2)c1 778283914 QJQWLYLQKHUNBI-UHFFFAOYSA-N 444.473 0.836 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 780974488 YYCVTMOXVFREPR-UHFFFAOYSA-N 426.495 0.803 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 782968160 YRYISJDXZHTZJQ-UHFFFAOYSA-N 425.898 0.258 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 784216214 ORHPFFJWLPEJKJ-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)c1 787541461 SFCFKSRAPHZGSK-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1C 789939914 QZNBDXQLJZSBTC-YCRPNKLZSA-N 446.504 0.834 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@H](C)O)cc1 791871921 BSPCGTGRBXABKO-IFXJQAMLSA-N 446.485 0.121 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 808934776 AHKFIRCAEJMZPQ-LLVKDONJSA-N 425.392 0.596 50 20 ICGD CCOCC(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812435761 UWAPJCMGXGIAQI-UHFFFAOYSA-N 428.559 0.707 50 20 ICGD NS(=O)(=O)C1(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 816828504 HOVJYMUQWRGLEN-UHFFFAOYSA-N 426.458 0.516 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1C(N)=O 912979280 BNGQCRGPJNWFRM-UHFFFAOYSA-N 441.684 0.685 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cccnc1)N(S(C)(=O)=O)CC2 913161411 KQGCLOKHDCRWPU-MRXNPFEDSA-N 448.501 0.809 50 20 ICGD COC(=O)COc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 917982943 FHRVVFFIUMCJHR-KRWDZBQOSA-N 444.396 0.383 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3n[nH]c(O)n3)cc2)cc1 918291193 VMCXCNURWKANTP-UHFFFAOYSA-N 446.445 0.785 50 20 ICGD CCn1c(SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 919883522 DLWMJCKZJLPYGQ-JTQLQIEISA-N 444.564 0.636 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1116146717 OQWCRWGQQFEZNU-UHFFFAOYSA-N 448.509 0.726 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1320669008 RGUWEBHBJCGYLD-QMMMGPOBSA-N 436.284 0.460 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779365691 JAUKUZRRZRNSMA-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(C)c3)C2)C1 1779517175 NCHYREGYOYEXSE-NJRDNMGOSA-N 438.488 0.968 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782210683 CBKITESCZQHDFF-RDTXWAMCSA-N 447.374 0.658 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1783578750 YNCHICCAKRPFDR-YDMUCJKGSA-N 432.359 0.912 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934904 KPEPJJXBLRPGLW-OAQYLSRUSA-N 433.509 0.215 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccc3n1)CCO2 1783934944 NQEYOLLAIZSJSH-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946869 VJMQOGCFPBZKCY-GTNSWQLSSA-N 430.292 0.229 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784266750 CDCWCFSNQRUKFG-XAOCGEIJSA-N 441.492 0.306 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785681258 HDOSLKHWVUJJOJ-XMMPIXPASA-N 449.511 0.544 50 20 ICGD O=C(/C=C/c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786569153 APFSXBIDXMNDSN-LPCYXGDASA-N 434.301 0.673 50 20 ICGD Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1789222823 LZPKDYXECVPVHY-NOLJZWGESA-N 426.311 0.764 50 20 ICGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922575 PHYOHKILSYHEQD-ZPFDUUQYSA-N 431.262 0.769 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21 1791291054 JHFUMYVKPNPGNY-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD Cc1noc(C)c1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794412725 UXEMKZRSDNSJKL-REPLKXPHSA-N 425.294 0.856 50 20 ICGD CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890980 RVUJDCKWUDNXLW-XMOXNHLCSA-N 430.509 0.673 50 20 ICGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)ccc1O 1798441613 AQRYQBLWZVDMAB-QDMKHBRRSA-N 439.472 0.965 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1798941231 PHCGXNNZPQDOHE-CCWDJLKJSA-N 439.472 0.211 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 1801678541 TUSPHTIKBOOQKT-XQLPTFJDSA-N 444.444 0.908 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2C(=O)C=CC2=O)cc1)[C@@H](O)CCl 1803875595 GATQEHRBSFQSGO-ORQFMDKSSA-N 431.876 0.968 50 20 ICGD CC[C@H](NC)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807343408 DRUFRSRNAQATRN-AYOQOUSVSA-N 439.520 0.398 50 20 ICGD O=C(CCc1cnccn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980225 NWTZESXEQSEGAK-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810310051 UFZJIRFMMBIYPS-LZWOXQAQSA-N 427.958 0.171 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCCO1 1814504574 TVSBFZYEHDQAFE-ROUUACIJSA-N 426.282 0.965 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814891997 RRLYVBRUOHOHMT-NSHDSACASA-N 445.549 0.756 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(=O)cco1 1816650200 HLDCSGOIHXCERB-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cccn2c(O)nnc12 1816962995 WEOBMFRCNCXMDV-GZMMTYOYSA-N 436.881 0.717 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822370524 NUAJAZONIDPERO-JDFRZJQESA-N 429.905 0.306 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1826082661 AIWZFVYVWWVIQB-NSHDSACASA-N 449.537 0.036 50 20 ICGD Cc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826085780 CNVXHHCGEAVDQS-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD COc1ccccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720394 ZGYQGIWTHYFDBJ-DYESRHJHSA-N 440.924 0.684 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)c1 1830733994 XVFJXQGCMKVXPG-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250132 WUFWLBCMCMZRMO-CXAGYDPISA-N 429.315 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccon3)CC2)CC1 1834301914 NUPPXUVUYNRWBJ-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1834799822 DSMGENQCEPCYAJ-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835647628 GTHASKWIRHJNMF-HNNXBMFYSA-N 437.360 0.245 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)o1 1836021263 FYRPMSLEUYUJOY-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836440543 FVCWXWOFHNKEDO-OXQOHEQNSA-N 436.896 0.838 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1836845300 NRDSIPISRQGGDV-DOMZBBRYSA-N 441.953 0.847 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837728175 VRSYUUVEUKUEQE-TXPKVOOTSA-N 433.933 0.001 50 20 ICGD COCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837763845 NVJMGSYYGKWIIA-UHFFFAOYSA-N 433.509 0.334 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837879624 YKYGFDGBRKZJCV-CXAGYDPISA-N 427.299 0.720 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338295 XLFPYEVFCXNFDP-QZTJIDSGSA-N 432.304 0.626 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)C1 1839066772 SNAVMOJMEWNSMY-YLJYHZDGSA-N 427.618 0.636 50 20 ICGD COc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1839332544 JNUQAYCAGCJINI-KXBFYZLASA-N 448.850 0.643 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840152442 IEODFXMSCPVAMC-KXBFYZLASA-N 437.884 0.053 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)CC3)C2 1844265025 LTQVQJQHDJZSDZ-UHFFFAOYSA-N 448.483 0.701 50 20 ICGD COC1(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CN(C(=O)OC(C)(C)C)C1 1847559871 UBNFNHTXRTYGEJ-KKUMJFAQSA-N 445.944 0.814 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 725741592 SBKZWAPYYZAQCY-AWEZNQCLSA-N 438.444 0.586 50 20 ICGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 728855739 BLKAOAYQWXRZTR-VOTSOKGWSA-N 435.458 0.837 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1cccnc1 728893402 KJTXLSDIGKCRJP-UHFFFAOYSA-N 441.307 0.903 50 20 ICGD C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 731220287 BGMQNAUTLPYCFX-HOTGVXAUSA-N 448.524 0.063 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CCN(CCS(C)(=O)=O)CC3)n[nH]2)cc1 731760870 FJRLAHJIAKETBU-UHFFFAOYSA-N 448.549 0.838 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(F)(F)C(F)F)CC2)cc1OC 734001385 CPYKVBFNCRICJN-UHFFFAOYSA-N 436.406 0.983 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccccc1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737843969 JPTVHRSCQPNQKX-UHFFFAOYSA-N 438.418 0.147 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc(OC(F)F)cc1 743831984 CBIQBZZHBXDCBI-GBOPCIDUSA-N 438.387 0.993 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744711482 VYYHZRKZGFEDCO-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 745882207 FUWPGPRGDMWDTR-CQSZACIVSA-N 430.465 0.724 50 20 ICGD O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NNC(=O)C(=O)N1CCCC1 748444098 HJXBIZUKCPKTBT-UHFFFAOYSA-N 437.522 0.314 50 20 ICGD Cc1[nH]nc2ncc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc12 748620483 QFVRXRYELWDOJS-UHFFFAOYSA-N 429.506 0.959 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCc3nnc(C)n3C2)c1 750714141 KROAGWYQFCFIRK-HNNXBMFYSA-N 434.522 0.641 50 20 ICGD CN(C)C(=O)CN1C(=O)C(=NNC(=O)N2CCOCC2)c2cc(Br)ccc21 750936095 MCAJDRQSYMVVQV-UHFFFAOYSA-N 438.282 0.630 50 20 ICGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 751264657 ZDIWSTHCTZVBOW-UHFFFAOYSA-N 436.837 0.726 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)c2ccccc2c1=O 752504010 VTXORLPEGCWVHH-UHFFFAOYSA-N 447.448 0.538 50 20 ICGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)n1nnnc1C(C)(C)C 758300895 PIZPZBHBGDPCMD-CYBMUJFWSA-N 437.526 0.696 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 758833906 KPNIEOLCFVIQCY-SOUVJXGZSA-N 427.461 0.533 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 759521425 YARZAEXLKVHAFM-AWEZNQCLSA-N 437.522 0.770 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 760443165 QUJZFQLWGPYTPT-CQSZACIVSA-N 448.476 0.873 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNc1nccc(N2CCOCC2)n1 762853163 RETUZNSZMLTZFU-UHFFFAOYSA-N 439.480 0.148 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 763572047 LGRSGKALDPFGCE-GOSISDBHSA-N 438.440 0.849 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 763664532 BZNMIKALKWHWKG-SFHVURJKSA-N 441.440 0.797 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 763667645 BQRYDLMKDZDEEH-UHFFFAOYSA-N 425.445 0.659 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 763669168 UNPDWZRVXYBFPR-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(C)nc2N(C)C)c2ccccc2c1=O 763786323 MDXMHUJTYIYMNZ-UHFFFAOYSA-N 437.460 0.586 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(F)cc1F 763807919 RRZJBBMYBFTTTQ-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(N)(=O)=O 763980972 ALUKHULICUHISC-UHFFFAOYSA-N 429.458 0.534 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001545 AOBSVDCRWSOEHD-VIFPVBQESA-N 445.519 0.353 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c2ccccc2O1 764369241 AMIVUUWDGHSXSK-OAHLLOKOSA-N 448.382 0.346 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 764392226 CPBJKVXMSKLXMP-UHFFFAOYSA-N 430.442 0.904 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1 767045064 OSPFPSFYFNVFGZ-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 777595820 JYENFGJTEVHRJI-UHFFFAOYSA-N 427.460 0.337 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1C 778428260 AIENLUCMBPEULF-LBPRGKRZSA-N 432.462 0.644 50 20 ICGD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 780327113 XGHHGMJVTBAVEK-FUHWJXTLSA-N 445.497 0.836 50 20 ICGD CC(C)(C)Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2ccccc2)n1 782966572 ODXPFPQKYRTACZ-UHFFFAOYSA-N 426.477 0.825 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 787543620 KEPAFQYQRFGIKP-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1OCC[C@H]1c1ccccc1 789847081 WYAUCPYMFWTGFQ-ROUUACIJSA-N 443.504 0.067 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[C@@H](C)O)cc1 802122259 IAQPFRHJJGPNAT-KDOFPFPSSA-N 449.533 0.942 50 20 ICGD COC(=O)COCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 806345371 VRAVFYSCAICFPF-UHFFFAOYSA-N 427.460 0.500 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc2c1CNC2=O 807007064 YQQXKXMWMLBRSV-UHFFFAOYSA-N 429.458 0.453 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2ccc3c[nH]nc3c2)c1 807243990 NVPBVLMVCDAPOX-UHFFFAOYSA-N 430.490 1.000 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814224521 HVVRPZQVJYWUJB-UHFFFAOYSA-N 444.473 0.045 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(Br)c(F)cc1F 815691377 OHRWRNJPJBXOTL-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1OC(F)F 815691974 GUGRAAGSMPULTB-MRVPVSSYSA-N 428.783 0.881 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 815854839 SUZQJEFTACTQQG-HNNXBMFYSA-N 444.579 0.281 50 20 ICGD CC(=O)N[C@@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 839244372 HDEINXSTKOUISB-XJKSGUPXSA-N 447.469 0.846 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(F)cc1 918099747 BWNDTRGTTNRLNZ-NSHDSACASA-N 428.463 0.853 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 919886298 RCZXTPZKROKLRI-RDJZCZTQSA-N 436.534 0.673 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)CN1CCCC1=O 920826988 QMNXKQDWHKFLIY-UHFFFAOYSA-N 436.534 0.564 50 20 ICGD Cc1c(F)cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029182 NKQXXJUQSMDZFH-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1ccc[nH]1 1781326993 VWWXPBMBNMMPOU-YOEHRIQHSA-N 445.289 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782466046 VGALEFBPSMADBU-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782570252 HFCXNNGMLPBDAO-SCLBCKFNSA-N 425.848 0.566 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783341267 CIAISSOWCHEJPH-QFBILLFUSA-N 445.402 0.627 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(-c4ccccn4)nc3)C[C@@H]21)[C@@H](O)CCl 1784086062 CWWFHAICKJYRSO-IKICRFKJSA-N 445.907 0.732 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784937874 FWCZEUPTYANQKP-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1785300168 UXVXQVLSGRESSA-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD Cc1cn(CC(=O)NC2(c3ccc(NC(=O)[C@H](O)CCl)cc3)CCC2)c(=O)nc1O 1786137656 VSJHLRJIUOZVGJ-OAHLLOKOSA-N 434.880 0.991 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccccc3)[C@H]2C1 1786566326 ABMHTEOHNVZYMT-FLMXVTCASA-N 449.511 0.992 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cccnc3)[C@H]2C1 1787473210 IJOYCFMHCJZMJY-VJANTYMQSA-N 434.613 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c4ncccc34)[C@H]2C1 1787878059 VZPVGUGODSYBAU-WBAXXEDZSA-N 442.520 0.529 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1789595161 XCLCOQOCPFUWSC-WDSOQIARSA-N 432.521 0.662 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1789863344 NTZMSORCJLTLFV-KSWRQPAISA-N 432.901 0.478 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790591706 NRFGDPCLNMHTSK-RSLFNQERSA-N 447.319 0.777 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396953 NDDFRDOEAWZIHE-FQUUOJAGSA-N 442.310 0.065 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794119612 KTTRSIDJRIVXHW-OHTBPHCPSA-N 444.351 0.851 50 20 ICGD Cc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741429 XEVFYYYSDYWBMH-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796399784 OMTPPHOIOLUQOS-AICCOOGYSA-N 429.290 0.232 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801009636 WIVYRGFSMIWWJE-ZSBFGKGUSA-N 437.928 0.620 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1804696919 LXAWGPXYSLWJDY-VGSWGCGISA-N 439.520 0.493 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807679263 GAUHMBZYNWGYKO-ZUOZUFPHSA-N 439.354 0.841 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1812863709 KIDAERBSEWOWEA-ZIEJDFEHSA-N 440.342 0.464 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1813069780 BVURKUMRBLTBDI-HRAATJIYSA-N 440.504 0.875 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814916150 NITLYPJXUMBGFK-VHSXEESVSA-N 443.371 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(N)s3)sc2C1 1815199246 NIUZSYORBCBDAV-SECBINFHSA-N 437.551 0.781 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n(C)n1 1815339989 ZFBNPPZAYJDFOQ-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249081 FPPKLRHNZZLKBD-JFGNBEQYSA-N 429.319 0.778 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)s1 1817471698 XJAHQDGQDMCMEH-AWEZNQCLSA-N 440.294 0.748 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822417103 ZWJGXDKBPVHPBW-CABCVRRESA-N 440.570 0.889 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCc3ncc[nH]3)sc2C1 1826520157 BAYTVKDWSVXRBU-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSC(=N)N)CC1 1826786922 AAPWOCCNNNJJRP-OAHLLOKOSA-N 426.587 0.606 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1829769464 TYVXPNIEYOJJTI-WFRZBGSESA-N 448.347 0.538 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830722556 CZLXZHDLIGVIJH-XLIONFOSSA-N 426.897 0.294 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnc1 1830975569 YLLQIWUKQQUXCU-WMLDXEAASA-N 429.315 0.686 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ncc(Cl)cn3)CC2)CC1)[C@@H](O)CCl 1833308657 ZUIHEHKRRTXPMP-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)n(C)n1 1833439567 UGCWDJLUIADHDJ-IBGZPJMESA-N 428.917 0.764 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835402388 DCFNLXUBOJVJAN-YLJYHZDGSA-N 430.977 0.098 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114465 NYFRIOHVBPZHNU-KDOFPFPSSA-N 444.941 0.279 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cc1 1836720544 WMCMLFNYGVAXEB-GOSISDBHSA-N 437.924 0.997 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836815827 XIIMYRYWKLVQQR-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836972525 CJQAHRUQHJVTMH-QGZVFWFLSA-N 433.292 0.539 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837717627 JRYDCRUSQDISKE-DPZZJQGRSA-N 434.569 0.798 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198977 PKWWKDFQGNUSEC-HSMVNMDESA-N 425.295 0.540 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184768 BBRPUXFFOZWXKD-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn(-c2cccc(F)c2)n1 1848311462 LHOYXRLTAASTIR-OALUTQOASA-N 449.251 0.215 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 22695363 UFLBBKSPJMITJT-OAHLLOKOSA-N 433.486 0.936 50 20 ICGD O=C(NN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 28807361 SBHHOYYAJOIDEH-XDUBLRSXSA-N 426.454 0.665 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725741824 VVAGKJOAOGESAK-UHFFFAOYSA-N 438.462 0.386 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710770 RJLWIIHNEPBJIS-UHFFFAOYSA-N 429.456 0.228 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1Br 732255835 OTLVTUGMOXTBSH-UHFFFAOYSA-N 449.327 0.779 50 20 ICGD COc1ccc(-c2n[nH]c(CNC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)n2)cc1 741418589 OQCRSJPUJNRSKK-UHFFFAOYSA-N 448.443 0.871 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)Cc1cn2ccccc2n1 746642171 VXCAVIBDZGZBKB-UHFFFAOYSA-N 426.458 0.153 50 20 ICGD COc1cc(C)nc(NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 746743414 KORWZZKYWWWPOQ-UHFFFAOYSA-N 436.494 0.641 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 747695155 JXACVDRUWHIDOE-UHFFFAOYSA-N 426.472 0.808 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)N[C@H]1CCS(=O)(=O)C1 749582678 LYRQKLSUTVXASK-MGPLVRAMSA-N 444.922 0.786 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751212611 UZZFCYZBLVHXHN-UHFFFAOYSA-N 448.501 0.954 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 751279464 JVRUOWPEGDWMFV-UHFFFAOYSA-N 426.451 0.511 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnccn3)cc2)C[C@@H](C)O1 755420817 DTHRULWQWSNZIO-BETUJISGSA-N 434.478 0.741 50 20 ICGD COc1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1O 756838353 MEHZWOLYVJPNGI-CHWSQXEVSA-N 446.464 0.700 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1C 757779933 CEVGXTVLSJFSOL-UHFFFAOYSA-N 436.490 0.741 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763529959 DRKGVHPKFSVSBP-LBPRGKRZSA-N 442.428 0.473 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccn(CCc2ccncc2)n1 763572566 RYGQGNFUSXKUFH-KRWDZBQOSA-N 436.428 0.447 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c(OC)c(OC)c1 763631109 UZNWDQZRLUKBIS-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 763718098 HFKQIZWBRXDLTK-UHFFFAOYSA-N 449.445 0.553 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(F)cc1Br 763917302 UIQAHANBXRPLKZ-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 763978739 BHNYOOGTIXLYJD-UHFFFAOYSA-N 445.501 0.540 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 764226062 FBUBMLOCJJAAIH-VIFPVBQESA-N 432.549 0.189 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764265100 YWEIGXMCIAMGSW-UHFFFAOYSA-N 435.234 0.944 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 764345099 AGMJPWOVGBKBQV-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764367719 LEWCZPLIRYZLTL-UHFFFAOYSA-N 438.440 0.638 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 764371789 LMFVZRKOEQCZOV-UHFFFAOYSA-N 427.461 0.765 50 20 ICGD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764431567 DHLRXWTUTFHEPO-KRWDZBQOSA-N 447.492 0.002 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 765404140 BIRYFNZBFRGSGC-JCMHNJIXSA-N 439.494 0.995 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)OCC(F)(F)F)CC2)cc1 766645473 QAWUNYQSHBHGFA-UHFFFAOYSA-N 445.442 0.549 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 772967888 CGBKFVUKINNPOW-MGNHCAFKSA-N 435.864 0.807 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n1 773724159 NCINIHORYOUGKP-UHFFFAOYSA-N 436.494 0.891 50 20 ICGD COc1ccc(F)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783263717 KNZUTQUTTWGSEU-UHFFFAOYSA-N 425.442 0.998 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)C(C)(C)O)cc2)cc1 787949298 FMISSYCYZVDMHW-UHFFFAOYSA-N 448.501 0.655 50 20 ICGD C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 795553310 WELPYXLFVFXJLK-LLVKDONJSA-N 433.446 0.454 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 796999744 NWKNYFLCTMNIRA-UHFFFAOYSA-N 449.464 0.334 50 20 ICGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 800333844 AIVUDXRLBPZSNB-QGZVFWFLSA-N 438.960 0.688 50 20 ICGD N#Cc1cncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 811675277 GTLPQAQBYJEPCX-UHFFFAOYSA-N 435.487 0.361 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2nnn(-c3ccn(C)n3)c2C)cc1C 814578575 ZUWKQLHCCCBLDZ-UHFFFAOYSA-N 431.478 0.860 50 20 ICGD Cc1c(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cccc1-n1cnnn1 815751736 MNZQMYCTNUGBKA-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821703489 QNRFZKOAOBLYLR-UHFFFAOYSA-N 430.442 0.038 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 914470537 KMUXCGOGOLBHJE-NSHDSACASA-N 435.499 0.050 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCNC(=O)c2ccco2)c2ccccc2c1=O 916259269 ABUZKDSEEXTEIM-UHFFFAOYSA-N 426.433 0.944 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)cc(OC)c1OC 917905137 DVFAYOOWZYCAOD-SNVBAGLBSA-N 443.503 0.902 50 20 ICGD O=C(NNC(=O)C1=Cc2cc(Br)ccc2OC1)N[C@H]1CCS(=O)(=O)C1 919888969 ISQXKNCLWVXHNE-LBPRGKRZSA-N 430.280 0.742 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 920239880 GVWMXIJBTAUBDA-UONOGXRCSA-N 428.511 0.607 50 20 ICGD CCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 920858597 MLDARWGFYXQHIO-HNNXBMFYSA-N 426.539 0.868 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(OCCN3CCOCC3)c2)CCS(=O)(=O)C1 920920567 NLUKCQYPEMWBQO-IBGZPJMESA-N 426.539 0.279 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 921022521 MXYOJTDBKNSGCO-UHFFFAOYSA-N 438.531 0.901 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1320669007 RGUWEBHBJCGYLD-MRVPVSSYSA-N 436.284 0.460 50 20 ICGD O=C(COc1nsnc1N1CCOCC1)NNC(=O)c1ccc(Br)cc1 1352194101 OSFSWUYGZWDATF-UHFFFAOYSA-N 442.295 0.977 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379243 DOLZZEHZGNEQRZ-HXUWFJFHSA-N 437.928 0.725 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1779031542 TXDLFYMDYCSECO-OAQYLSRUSA-N 426.477 0.090 50 20 ICGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1)NC(=O)NCc1ccccc1 1780970545 XBZOKKQHNYSFKI-QHCPKHFHSA-N 443.548 0.963 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781223738 CWVVRZBJPVTQOQ-ZWKOTPCHSA-N 429.304 0.860 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331619 URLBHIPVWNGRMH-SLEUVZQESA-N 435.319 0.533 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1783876202 WOQKYDLLBFGVRA-KUHUBIRLSA-N 436.900 0.438 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1784523329 FNSHUMBKJIEPJG-UNQGMJICSA-N 432.359 0.912 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785491282 WZHGLVJNTGZBPE-OEAJRASXSA-N 426.311 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]2C1 1790990708 QOPAMLBYEZPKFP-XQLPTFJDSA-N 433.933 0.745 50 20 ICGD C[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1791746751 QRGNJJITBSMUBH-BWOMAWGNSA-N 428.338 0.786 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796050631 DXVJOSUPZPCRCG-MXASKKJJSA-N 437.504 0.833 50 20 ICGD CC(C)Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n(C)n1 1796191280 UOYFFEUKIDPHTJ-FNLKRUPLSA-N 438.337 0.864 50 20 ICGD O=C1CSc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)ccc2N1 1796289980 BDJRHGOEELZEBO-DMVWFOPNSA-N 439.921 0.534 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1 1796767177 CYRKWWARMTUFDO-YRPNKDGESA-N 427.549 0.712 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)Br)C3)CC1 1797936633 HXRWIMLPOOSMBO-DMRZNYOFSA-N 429.359 0.572 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1800333140 PEMRGEMMMYZNTG-PSKFDLRZSA-N 443.414 0.148 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cccc(F)c12)c1ccc(B(O)O)cc1 1801127313 KCXLTYGKFKNDFM-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359229 GHPQBFNXUWVBLR-MTOHEIAKSA-N 439.321 0.488 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371202 QZCVRFJDFHRXJI-XLIONFOSSA-N 425.294 0.242 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)o1 1809968143 MZTPASOXBXYBAV-UHFFFAOYSA-N 440.309 0.579 50 20 ICGD CN(C)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299013 NBEKVGIZQLVWND-UZLBHIALSA-N 439.520 0.351 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1810869152 KXGQPXJJQMBSBE-ICSRJNTNSA-N 448.288 1.000 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1812865671 RPRCTSLIBCSTTH-GHYVTOPFSA-N 425.283 0.979 50 20 ICGD O=C(COc1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815761774 AKFPBEIIPLACDK-LJQANCHMSA-N 449.276 0.869 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)c1cccc(B(O)O)c1 1817475628 WOOKXBZPKUWBIN-GOSISDBHSA-N 449.276 0.257 50 20 ICGD Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)o1 1820575481 ONRAGDWYPXXIGU-CQSZACIVSA-N 440.290 0.967 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Br)CC2)C(=O)N1 1824973556 UUXXDWHBBVTXEH-SWLSCSKDSA-N 447.305 0.848 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(F)c[nH]3)sc2C1)c1cccc(B(O)O)c1 1825731886 AAUIACMEWCQMNL-ZDUSSCGKSA-N 428.254 0.830 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831072816 OYCTUBAAZXECQI-LAUBAEHRSA-N 429.370 0.940 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831658288 SZAOUBAOOKLTAL-OXQOHEQNSA-N 429.945 0.863 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831751549 GTWXUHTVCPKVOH-XHDPSFHLSA-N 433.328 0.782 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834390010 XAINTEHVXKRYID-WMLDXEAASA-N 429.315 0.513 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1834530354 FLRPLJNDVLSXJM-CZUORRHYSA-N 447.261 0.246 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834656784 RYVZBKPNWCIYPT-LLVKDONJSA-N 434.404 0.968 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834822340 IDKSYVDKPNJHNJ-OAHLLOKOSA-N 437.360 0.245 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nn1 1834823515 ZERDNQOUUFYHIS-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1 1835113538 DFPUQJZMKRNDKM-YIEPXFBBSA-N 444.532 0.529 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1835832725 RBXYMTUYZCBUJR-MLGOLLRUSA-N 447.349 0.939 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412798 VTMMZQRTWHYSTC-HNNXBMFYSA-N 447.353 0.088 50 20 ICGD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)[nH]1 1836963080 PJTRZULODOZWJZ-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268545 DZEIAHWSYZJQQV-ACJLOTCBSA-N 428.921 0.183 50 20 ICGD O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837493682 QZRXAHVAHBSJKW-LJQANCHMSA-N 433.332 0.945 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837668506 MCIBGNNSKXPWAO-JOCHJYFZSA-N 438.569 0.808 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203835 YJNZJXKXDNBCFB-DOTOQJQBSA-N 445.289 0.556 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1840150312 IBYWCYZMRLTVOM-OLPIVMHESA-N 446.928 0.286 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840155755 DCWHZJAIYLDPKN-LPHOPBHVSA-N 426.901 0.119 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)C1 1840186352 GJNCXKCEIIMFKY-JCGVRSQUSA-N 437.320 0.836 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421599 YDURVAYNKMUQRP-ZQIUZPCESA-N 444.330 0.469 50 20 ICGD O=C(CCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)Nc1ccccc1 1841326556 WVPVKVZRERVCSN-UHFFFAOYSA-N 449.316 0.992 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014210 KSLKDKKXHVIAOU-UHFFFAOYSA-N 443.696 0.944 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2NC1=O 1843014469 MVRLPIAJAQMAKA-AWEZNQCLSA-N 449.272 0.217 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Cn2ccnc2)C1 1846610133 ZDZQBQWVZNJQTG-DSDXLYQOSA-N 425.493 0.857 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1846977790 CDDWJASYRGOUKV-UHFFFAOYSA-N 437.541 0.431 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)c([N+](=O)[O-])c1 1847561928 MPBFRPASGMFCEB-KCQAQPDRSA-N 425.825 0.797 50 20 ICGD Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 105280772 ALNOYWHWCNRBAM-UHFFFAOYSA-N 435.473 0.979 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 726162542 FELQSILIBUIZJW-OKILXGFUSA-N 428.511 0.129 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 726376795 BSTZRWUULFTQIO-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 728733123 RZFBSRJTWWWAFK-UHFFFAOYSA-N 439.457 0.638 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1I 729275511 OWHAGCCQERUKJN-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 729500620 UQWDPMOKWZILOE-UHFFFAOYSA-N 436.476 0.710 50 20 ICGD CCCCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC 730568999 IRVVXZZVMREWRA-UHFFFAOYSA-N 435.506 0.909 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3c[nH]nc3C)CC2)cc1 731852931 LDEGAQUJRYOSDD-UHFFFAOYSA-N 435.506 0.979 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 733123499 OLWIJZCWXBWIKG-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Cl)nc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737801291 ARSLSUALSUUDEZ-UHFFFAOYSA-N 427.826 0.725 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cc(N2CCNC2=O)ccc1F 737838629 TYTHJIIJEMGSTM-UHFFFAOYSA-N 427.440 0.823 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](c2ccccc2F)N2CCOCC2)c2ccccc2c1=O 742474508 QVZPXZNBYSNBNB-IBGZPJMESA-N 439.447 0.907 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 743635633 DJVLTJRUUJRILA-DNVCBOLYSA-N 440.456 0.837 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc(OC)c1OC 747323194 MCNVKSHDYLMOOZ-CQSZACIVSA-N 428.445 0.850 50 20 ICGD N#CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 748212275 KFCBHPOZKUCKJE-UHFFFAOYSA-N 439.457 0.815 50 20 ICGD O=C(Cn1cnc2ccccc21)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 751291455 VRAIFDRMRPPVSS-UHFFFAOYSA-N 441.513 0.728 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)N1CCOCC1 755412189 BSMFESGVAPJUGB-UHFFFAOYSA-N 438.466 0.214 50 20 ICGD Cc1cccc(-n2ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C(F)(F)F)c1 758046236 GLSOKDDQBLZYKI-JTQLQIEISA-N 433.412 0.898 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 758145295 YRZCKBPCACFEFM-ZETOZRRWSA-N 431.873 0.581 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)Cc1ccncc1 762232832 QQZZXDLGGHWTTO-UHFFFAOYSA-N 433.534 0.624 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763569629 AHNDLDZAFCOMED-QGZVFWFLSA-N 449.427 0.601 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 763664069 QMSBDMJIGIXWDZ-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2ccccc2C)c1 763688634 VQHBCXJVYGHUMG-UHFFFAOYSA-N 434.518 0.577 50 20 ICGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 763718886 QIGYWKRPKQQZOD-UHFFFAOYSA-N 446.485 0.848 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2C1=O 763803767 NPRYBGMCDLOCNF-UHFFFAOYSA-N 441.400 0.388 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1C 763847310 ANAMRQSIABGKRU-LBPRGKRZSA-N 438.444 0.832 50 20 ICGD COCCOc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916239 FAAUZBMRKJZQOB-UHFFFAOYSA-N 425.405 0.087 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763974753 XHRMZFVDEHFBBK-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 764002491 NCZJNOHOEDLYLW-LLVKDONJSA-N 439.881 0.355 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764150767 BCOHLHUBIFMQCA-MRXNPFEDSA-N 432.458 0.027 50 20 ICGD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764211029 JNOYOEMYHVRDRD-UHFFFAOYSA-N 447.517 0.549 50 20 ICGD Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231811 QENPSIOFQCDHNR-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1=O 764242064 AGNVGGVUOLPQNC-UHFFFAOYSA-N 446.261 0.889 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)n(-c2cccc(Br)c2)n1 764292431 ACJCEBUVXWLUSJ-UHFFFAOYSA-N 446.265 0.995 50 20 ICGD O=C(Cc1ccccc1)Nc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1F 764427061 XYSGRZMAYQYOLV-QGZVFWFLSA-N 444.419 0.508 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 769236192 CKZGWMFZOAEUFM-KSSFIOAISA-N 442.563 0.936 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 769537301 AIONOMFLFITHBK-GFCCVEGCSA-N 443.526 0.794 50 20 ICGD O=C(CCc1cccc2c1OCO2)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 770246482 QTCSDLUKUFHWRW-UHFFFAOYSA-N 438.484 0.953 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1F 771180078 KQUGBDRODMLARV-UHFFFAOYSA-N 433.439 0.291 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3c(Cl)n2)n(C)c1=O 772766657 YSIIWWCCXAAVRW-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)nc1 775461875 UMYLSLZWRQUIGB-DZGCQCFKSA-N 442.542 0.374 50 20 ICGD O=C(NN=c1cc[nH]cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 781019859 NTXODLJUMJYRML-UHFFFAOYSA-N 447.517 0.118 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccc(Br)nc2)c2ccccc2O1 784806463 HLUAONIPNMRUBS-CYBMUJFWSA-N 434.250 0.827 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 788158395 HNPFMEOYJQWCGQ-UHFFFAOYSA-N 429.495 0.258 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 789334782 NMLUDYKMDXORJD-IRXDYDNUSA-N 440.522 0.609 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc(N2CCN(C(C)C)CC2)c1 792266257 OZYOHJDLBDVQBK-UHFFFAOYSA-N 427.509 0.577 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc21 797369483 ZHYDVBPPBCTVIW-UHFFFAOYSA-N 441.444 0.528 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccncc3)no2)cc1OC 810311424 BPJSGHBSJUFQAP-UHFFFAOYSA-N 434.434 0.570 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 811678457 WUVTXQVJZBMROD-CYBMUJFWSA-N 437.540 0.085 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 812964481 NWIAMAJEHRVSNK-CYBMUJFWSA-N 442.523 0.642 50 20 ICGD CC(Cc1ccc(Br)cc1)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877600 RSXLRFCMJGNLNX-UHFFFAOYSA-N 447.293 0.931 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 916642971 AMRLLLFYLVYHGZ-GOSISDBHSA-N 433.575 0.310 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nnn1-c1ccccc1 917574003 DHIXYJIHFNGBPL-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD CCOc1ccc(-c2noc(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 919886952 WIFXXTCXUUYACR-CYBMUJFWSA-N 437.478 0.585 50 20 ICGD Cn1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(Br)c1C=O 1321951471 HSSXMGFQPDSYLT-UHFFFAOYSA-N 442.295 0.968 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1cncn1-c1ccccc1 1322565610 IXTNRGZMXSMEEB-UHFFFAOYSA-N 438.535 0.195 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1OC 1339399457 ZGUSRGANLYLYLQ-UHFFFAOYSA-N 436.490 0.931 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[nH]n1)C2 1778091500 INFGTLXHYIVWAZ-ZNUZEINGSA-N 441.492 0.671 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1781223911 DUMARZJJTHRIEQ-MSOLQXFVSA-N 432.304 0.368 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1782612734 CPWIWNHSHRLHML-OCCKZLSWSA-N 432.525 0.291 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782959642 FIQJKZUCLOQWQS-XEZPLFJOSA-N 437.356 0.567 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783345386 ZVSQXMLZJPZZCE-SCLBCKFNSA-N 439.310 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783934613 JJWLCIJXORWFNJ-NRFANRHFSA-N 431.468 0.514 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1F 1783936991 BYQKUTGUUDYUKN-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1783952386 ICGDGQKPDZFWRU-GVRJEKJASA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CNc4ccccc4O3)C[C@@H]21)[C@@H](O)CCl 1784091745 AGHJURWKWKIOKN-SARNLOFESA-N 437.924 0.829 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)nc1 1785711443 QVWPEZSEIBTIAK-LVGORTOPSA-N 433.889 0.613 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786983790 SHHIDCRYXHWLFX-QGQQZZQASA-N 448.328 0.690 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)n1 1787446552 QMUMEUTTZSQFNI-RZLSGREXSA-N 428.892 0.801 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]2C1 1790990707 QOPAMLBYEZPKFP-AJNGGQMLSA-N 433.933 0.745 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291124 MRZQTBGEWRHYCL-BQFCYCMXSA-N 434.541 0.430 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1ccc(F)cc1 1792979075 SYTUYXDSUXMRDX-PEZLKRJXSA-N 441.887 0.192 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1792988747 GENCJWKLOPUZSM-FVCCEPFGSA-N 438.326 0.909 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796301138 ORGBUVHFBSODHF-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1SC(=N)NC1=O 1796421671 BLAYNPJOORGBBQ-VKISENBKSA-N 447.355 0.163 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1800756775 IKIKVJGCRAHTNI-OHTBPHCPSA-N 444.351 0.851 50 20 ICGD COc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1801106279 VNHWHPRJNSZIKS-HIRMHNASSA-N 426.897 0.401 50 20 ICGD COc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801725039 GZRBEZAEQZSZAZ-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802120420 PQEQDIBYMCNPCW-SFNKJDCFSA-N 437.924 0.568 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806776680 LGLLBTFXTJUGQF-FXAWDEMLSA-N 425.294 0.242 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)[nH]1 1807367071 XCZYXZNHXKILOG-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n(C)n1 1807369476 LACVVFCVTOKTKB-RXVVDRJESA-N 447.304 0.437 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807370911 NBKNXCQVEWZCQE-DYESRHJHSA-N 447.304 0.680 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376659 VLZILIGEWLHHLZ-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc2n(n1)CCNC2=O 1816622362 FMQOSSQKRSGQFE-GXTWGEPZSA-N 435.872 0.255 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478881 CRKQZSSRADGPOZ-IAGOWNOFSA-N 446.338 0.509 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825636421 UXYNZPVOKNQIFU-YUMQZZPRSA-N 444.311 0.390 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCCN1 1830267734 AJCQQGWVPWUEQD-NFBKMPQASA-N 427.354 0.742 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)[nH]1 1831840618 DFRFZPAPSSKWRU-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)no1 1832931586 UCTCNBLJUSDCIM-DLBZAZTESA-N 435.308 0.613 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833265450 WRDSRDFZUVFDTL-WFASDCNBSA-N 445.358 0.697 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1834253336 NBSWYIDKBUVYOV-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1834574843 PNKWIQPSTCSJIW-KXBFYZLASA-N 427.885 0.068 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835506782 JDGPJPMGGVSJAF-VGSWGCGISA-N 441.381 0.988 50 20 ICGD C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738260 QBXVHTLOZFJNEB-ZDUSSCGKSA-N 434.566 0.189 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789675 QCGWQXIPJAQITB-MEDUHNTESA-N 447.355 0.826 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)[C@H](F)Br 1836412810 WPTUETIFTTZSCP-KRWDZBQOSA-N 447.349 0.871 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837180209 UEVXSZRKZNFCLR-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838118447 OTJJKAXACZYEEP-VQIMIIECSA-N 437.859 0.872 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840031365 NQIJVIKVECYZBN-APPDUMDISA-N 443.298 0.466 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1840154247 QJNMCWRNHKFRPC-HNAYVOBHSA-N 428.917 0.788 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458962 JIXZCJKCAQMHDS-KSSFIOAISA-N 441.326 0.649 50 20 ICGD COC(C)(C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841109378 QFZMTGLFEHFKSK-UHFFFAOYSA-N 431.537 0.961 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Nc2cnccn2)C1 1844278136 DMKJQXHYHVKWTI-DNLAOKNZSA-N 438.492 0.614 50 20 ICGD C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 21967747 TYIWJBPHTKNZGL-CYBMUJFWSA-N 445.501 0.945 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCC(C)(C)CN(C)C)cc1 727066268 MVNSWNCJSXPOBK-UHFFFAOYSA-N 429.612 0.699 50 20 ICGD CC(=O)Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728330660 QEHFNYUFUWDZED-QGZVFWFLSA-N 431.376 0.928 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCc2ccccc2)cc1 728510432 YMAWKNLRWNPFDS-ZDUSSCGKSA-N 427.504 0.513 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 729275543 PLADAJQDFSFWBV-HOCLYGCPSA-N 446.529 0.777 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(F)cc1F 732045687 NGHKPJIIYVMOLB-UHFFFAOYSA-N 438.372 0.350 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)cc1Br 732246748 YZQHVCGIYRNPRK-UHFFFAOYSA-N 437.316 0.730 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 733125460 IGAAREUFJSTFEN-UHFFFAOYSA-N 441.487 0.542 50 20 ICGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733349990 MMZQJVYWFSGCPG-UHFFFAOYSA-N 428.474 0.706 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735189366 XVKYQKDCNGHDRL-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 741740683 FFRFJWJNTNCUJD-DOMZBBRYSA-N 431.424 0.931 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 742034660 MUYLLPCQADPLRV-UHFFFAOYSA-N 430.486 0.906 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 742478014 LPVBIQINPIIMQA-WGSUBKMSSA-N 431.445 0.162 50 20 ICGD NC(=O)Cn1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 742598872 HQCPWKXHHUXZTH-LJQANCHMSA-N 433.472 0.152 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](NC2CCOCC2)C(C)C)cc1 743289298 RHKUOEXTPAHOPF-LJQANCHMSA-N 440.566 0.556 50 20 ICGD N#Cc1ccc(C=NNC(=O)C[C@H](C(=O)NN=Cc2ccc(C#N)o2)N2CCOCC2)o1 743441894 QEXFTKCWYMAJNB-GOSISDBHSA-N 437.416 0.307 50 20 ICGD CSC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCOCC1 745868564 HOULBQZWJRGSKI-UHFFFAOYSA-N 430.552 0.793 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(C)c1C)C(N)=O 746257632 DSUBXIWFQGQBEX-KRWDZBQOSA-N 436.472 0.826 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccncc3)CC2)cc1 747325101 SHVLTDDPCCZLKZ-UHFFFAOYSA-N 431.518 0.086 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 748128047 PYUPUHBAABIYFB-UHFFFAOYSA-N 440.503 0.249 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)o1 754203683 HMGDTTNAWFMOLK-UHFFFAOYSA-N 430.464 0.199 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CSCCS2)cc1 756053367 MXLHKNMBKQQIGC-CYBMUJFWSA-N 432.593 0.795 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1Cl 757473675 NUTAORYVZPOSCZ-UHFFFAOYSA-N 436.837 0.726 50 20 ICGD O=C(NNC(=O)N1CCN(c2nc(F)c(F)cc2F)CC1)c1ccc(-n2cnnn2)cc1 758852122 FZRQTWZCECSGCS-UHFFFAOYSA-N 447.381 0.651 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)C2)nn1 762631225 BXNZXMALMYTDRR-AWEZNQCLSA-N 446.464 0.180 50 20 ICGD C[C@H](CC(=O)NNc1nccc(N2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 762850655 IAMBCENVHQXPOB-CYBMUJFWSA-N 445.505 0.274 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNc1nccc(N2CCOCC2)n1 762854646 DMFWDRLPUDWZMW-NRFANRHFSA-N 437.460 0.150 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763559861 XKSYWPGVZIVDDP-UHFFFAOYSA-N 434.430 0.577 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 763902654 OEKSKOSXQXNHDF-UHFFFAOYSA-N 440.412 0.719 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnccn2)cc1I 764030046 AAEOAJVELWJSGE-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 766308735 CACPKQPKOJMOBO-UHFFFAOYSA-N 443.865 0.845 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccccc3OCC(N)=O)CC2)cc1 766649476 PUKBLHVVGSUXAN-UHFFFAOYSA-N 439.516 0.438 50 20 ICGD COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)oc1C 767850839 MXNLZJIHLCKHSP-UHFFFAOYSA-N 445.313 0.363 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 769577837 LWRAFMRPGRHPAI-UHFFFAOYSA-N 435.391 0.771 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNc3nc(O)c4cnn(C)c4n3)n(C)c2)C1 770974095 JBPILYYQYQHTIA-LLVKDONJSA-N 448.509 0.585 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNc1ccccn1 777472652 VJEPHYIYECTTGR-DNXIFWLFSA-N 438.531 0.918 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 778445913 WIAADERHMFNORS-UHFFFAOYSA-N 444.485 0.896 50 20 ICGD O=C(NNc1ccccn1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 779009761 FFXDFFFZKOVZRH-CYBMUJFWSA-N 425.492 0.696 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)sc2ccccc21 783351782 LTPFEENCGMWXCT-UHFFFAOYSA-N 426.458 0.026 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783378293 CKIRWNJAWMWVSP-UHFFFAOYSA-N 449.489 0.005 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc(OC)c1C(C)C 784002367 OCLSMUVYEIYNAU-UHFFFAOYSA-N 432.433 0.936 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785061313 VXHMCIWSPCEMAN-ZDUSSCGKSA-N 438.444 0.636 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 785226093 OJFMXMOKTGEAGA-UHFFFAOYSA-N 447.521 0.845 50 20 ICGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788622857 CFDHTFCZPLFSNC-WBMJQRKESA-N 432.458 0.423 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 790005007 MVNAGHAQRGFHSP-UHFFFAOYSA-N 436.466 0.373 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792394370 QGCJCNYXXBITGA-UHFFFAOYSA-N 431.478 0.840 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623414 OIAXGVKKUHJJMA-CYBMUJFWSA-N 430.509 0.999 50 20 ICGD CN(CC(=O)NNC(=O)Nc1ccc2c(c1)OCO2)C1=NS(=O)(=O)c2ccccc21 802106670 PCYYWKDEIVMAIG-UHFFFAOYSA-N 431.430 0.649 50 20 ICGD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 802570966 CRWODHQOHGOFEC-UHFFFAOYSA-N 429.380 0.986 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1 806746823 LJSHSCOACVTOJO-ZDUSSCGKSA-N 429.433 0.856 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 816877433 UBSPHYWPRWGGAC-VUVCFOEZSA-N 445.443 0.933 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 836520087 MADBWMDIILDEHW-HIFRSBDPSA-N 428.486 0.376 50 20 ICGD O=C(NNC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(-n2cnnn2)cc1 837089213 OYBLOJBCEXUJGW-UHFFFAOYSA-N 427.446 0.277 50 20 ICGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)c1nnc(O)c2ccccc12 874068071 HOTYBNCSSKJGFQ-UHFFFAOYSA-N 445.439 0.944 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N(C)C 912921081 KJFCTLRSVSIKAV-KBPBESRZSA-N 442.538 0.206 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)OC(C)(C)C)c1OC 913176860 DPTFOOSHXSDIEB-UHFFFAOYSA-N 445.494 0.894 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1Cl 914831784 UZQSRSJDUMTZBC-MWLCHTKSSA-N 434.301 0.790 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914832270 QHFHIORDAXVDMW-UHFFFAOYSA-N 438.462 0.182 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC#Cc3ccccc3)nc2)CC1 916246303 QNYSKZNTVSJMEC-UHFFFAOYSA-N 428.518 0.696 50 20 ICGD N#Cc1cccc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 916516643 MNYOXXUGGOJHAP-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 917737760 NTJDVJSUPGDQRT-UHFFFAOYSA-N 437.499 0.988 50 20 ICGD C[C@@]1(NNC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 918231011 RVJQPCNBFNNYSN-OAQYLSRUSA-N 437.610 0.965 50 20 ICGD O=C(NN=Cc1cc2c(cc1O)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 920357821 HPJJCGQNOOQHOD-UHFFFAOYSA-N 433.442 0.906 50 20 ICGD O=C(COC(=O)c1ccc(Cn2cncn2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 928976580 NYJYZPUKBDASOH-SFHVURJKSA-N 437.412 0.471 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1cccc2cccnc12 1326687936 SZMHXOCZHMAGJI-UHFFFAOYSA-N 441.473 0.817 50 20 ICGD Cc1cscc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030048 FPHYKWTXKHWXRV-HXUWFJFHSA-N 429.502 0.812 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779398901 PRYRYJFMVHJGOC-LRDDRELGSA-N 432.702 0.887 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779610740 CYRSENAPZYJFHJ-IIBYNOLFSA-N 434.541 0.527 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 1780279673 FKCLOKBSJYRDNT-LSCMLXDISA-N 427.465 0.296 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782273529 GRHFOYVXXWTGBZ-KYZVSKTDSA-N 430.343 0.810 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1783530402 XETGWNYHDPPBHB-TYNCELHUSA-N 425.345 0.280 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1783883398 HNRYWUJYPRBHCL-LAUBAEHRSA-N 437.924 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1783935844 XHHWCUIVOUGISL-GOSISDBHSA-N 428.440 0.095 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sccc3F)[C@H]2C1 1784743352 YAMASPQVBATSPE-PJODQICGSA-N 447.492 0.793 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984771 HTXBPJOBQNNVCD-QBWPOKONSA-N 443.136 0.196 50 20 ICGD N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cc1 1788609899 BRVHWYJONVEUIY-VDGAXYAQSA-N 448.483 0.464 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1790962454 ZGDPGFMVIXKAKU-QTVXIADOSA-N 430.343 0.666 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1790963903 NUAJNRAIROUKFN-XUXIUFHCSA-N 442.310 0.065 50 20 ICGD CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793252928 VRGHFCPDVFHDHA-VWPFQQQWSA-N 432.359 0.913 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)no1 1793889000 FLHPFHYVHCBYLP-BHTPPFENSA-N 442.476 0.249 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)nn1 1794904759 ULPBJVOHIAECEI-ONMDDFKGSA-N 425.449 0.568 50 20 ICGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1796440546 PPRNMHNDOCCHMZ-GBQKICQVSA-N 441.492 0.309 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCCO2 1796963849 YRERJIQBTJMUMV-YVWYUNDQSA-N 446.504 0.034 50 20 ICGD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nc2ccccn12 1797361643 LSSOPZPVHKLVHM-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)C1 1799980135 SGWLZPUBHHRWSM-GEONZQJFSA-N 445.944 0.452 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(F)cn2n1)c1cccc(B(O)O)c1 1801188198 QLXOKVJCRHMOCY-BJWYYQGGSA-N 437.240 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccccc1F 1801529057 ZAIPIBFUMKEOSB-FAQVEIGNSA-N 434.512 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=O)c1ccccc1)C2 1802343685 IGXTVGZCBVJBDR-REPLKXPHSA-N 443.548 0.818 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804501900 ZFRTXZPJKGKBSK-UGKGYDQZSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nccs1 1805936867 PBIBINCGTAHSCQ-WMZOPIPTSA-N 436.302 0.851 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807879586 AKTDKVCILLQKQO-DSLXNQLJSA-N 437.972 0.323 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)CN1 1808678760 NEBRIENRDMYDPB-PAPYEOQZSA-N 427.274 0.914 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813031654 RGSYWCUKFCLFHC-YTQUADARSA-N 445.712 0.335 50 20 ICGD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)s1 1815187881 MLLKUZBYVCUSLG-NSHDSACASA-N 443.319 0.401 50 20 ICGD Cc1cnoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343743 MKGCRGMXZAUIOG-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474595 BWWXPFCPXQFPMI-WMZOPIPTSA-N 441.297 0.310 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819268191 VUNZJSRRXBCDFR-JGVYIQDASA-N 440.570 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSC(=N)N)CC1 1826881816 SSVLDSXPCKDIMD-INIZCTEOSA-N 440.614 0.996 50 20 ICGD C/C(=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828924937 AFERPSBMIGXBBQ-FFWXCITRSA-N 443.504 0.949 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1830332276 ZWRPKRJEIMKREA-IIDMSEBBSA-N 448.358 0.531 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830431106 NJBKICAUQWVSSL-GOSISDBHSA-N 440.508 0.210 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1830535248 KKZJLORTKNIGLA-PXAZEXFGSA-N 445.314 0.227 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737973 JETCTDZUELNXKM-IFXJQAMLSA-N 448.850 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832249171 YWCRHBMHIMUKHP-GOSISDBHSA-N 433.557 0.661 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1CC(F)(F)C1 1833128656 BBSKXGIWLIYQCD-UHFFFAOYSA-N 449.307 0.597 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC1CCCC1)CCO2 1834674965 NMGULSQLWAEHTC-QFIPXVFZSA-N 438.569 0.786 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124807 RXJKXRNMUJCPGN-FOIQADDNSA-N 441.912 0.873 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275059 CLJSNMFFENPEEX-SJORKVTESA-N 449.339 0.012 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cccnc3)CC2)CC1 1837970914 DLFZCURYDBHTIC-UHFFFAOYSA-N 445.564 0.996 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839147217 KHKXNVZLOZTYTG-FUHIMQAGSA-N 430.977 0.096 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202077 UIMGPGXZDGPRFT-WFASDCNBSA-N 449.233 0.683 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839965574 DAWAOWSAKZNKFZ-DYVFJYSZSA-N 443.298 0.426 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840031176 HUTNSDHONRQWQY-VKJFTORMSA-N 443.342 0.759 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1840144645 GYVJKOLOIYLRIY-ROYATCLZSA-N 446.928 0.022 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840155115 QEFPPXDJBYRCAW-BEFAXECRSA-N 428.869 0.422 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840407886 XBWUJQTUOBGUQK-JTDSTZFVSA-N 428.917 0.463 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1843132798 ZBZIFUMOXXABGJ-OAHLLOKOSA-N 447.923 0.950 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1C 1845462326 OIXQIHBHRXAPFR-UHFFFAOYSA-N 435.289 0.764 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)C1 1846549903 KSYQSTCBSILEAU-IXORVSQSSA-N 437.504 0.852 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 726075295 CRQNMYQRQYZEEO-UHFFFAOYSA-N 430.552 0.432 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 726382162 NHIKZHFLEFBQCQ-LLVKDONJSA-N 443.489 0.436 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)COc2ccccc2C#N)c1 727608062 KMCPXJNUVAWEKR-ZDUSSCGKSA-N 431.474 0.937 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc(Br)ccc1O 730568812 CNRVCVSIJYDBOE-UHFFFAOYSA-N 442.295 0.580 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 731849378 ZFXDYZXNGZNMTN-CQSZACIVSA-N 436.538 0.451 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 732261156 BAOUVFVGTREJKB-UXLLHSPISA-N 446.504 0.667 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1Br 732305010 DETPNSVFNAUGFU-NSHDSACASA-N 434.312 0.338 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 734120612 XTUUJIJQRWOJMD-AWEZNQCLSA-N 445.567 0.335 50 20 ICGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2)CC1 734282722 BSMWUQRKQGKXRC-HNNXBMFYSA-N 427.509 0.690 50 20 ICGD CS(=O)(=O)Cc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 734807451 QDVBZYISJDPNTO-UHFFFAOYSA-N 431.517 0.032 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1 735511242 BCDOVZFJHBEHKN-UHFFFAOYSA-N 431.474 0.627 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736406324 ZQTQDUZLKVZDBL-UHFFFAOYSA-N 442.513 0.672 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1 742476655 BYPOSWNFMIEIKA-UHFFFAOYSA-N 442.501 0.960 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(C)c([N+](=O)[O-])c1 753839644 BVRJUCJEVZWOLH-UHFFFAOYSA-N 448.363 0.994 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 755934601 VAGAVLRRAWZJBI-UHFFFAOYSA-N 436.432 0.601 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1Br 756169195 HREQZXRYGJHACS-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1c[nH]c2ccccc12)S(C)(=O)=O 763535709 YXORNGHAJNTPML-UHFFFAOYSA-N 429.458 0.963 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763679417 MMHZGISBMOBXMP-UHFFFAOYSA-N 432.408 0.458 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763746495 YTKMTJDVTNFSCD-UHFFFAOYSA-N 439.472 0.350 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n1 763892713 IXTZAJAPWZVVRB-UHFFFAOYSA-N 426.437 0.402 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1SCC(F)F 763998336 PNGYRNMYSGFCLJ-QMMMGPOBSA-N 439.437 0.704 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1 764116810 HTGSACGMIJPRCU-UHFFFAOYSA-N 425.792 0.898 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1 764185778 VZVZRKPESHUVGU-CYBMUJFWSA-N 440.522 0.666 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764237989 NWHAQMJJZMBLEP-UHFFFAOYSA-N 429.458 0.646 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2scnc2C)c2ccccc2O1 764247537 YXMNKHHGZWGGPT-CQSZACIVSA-N 431.474 0.533 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 764294123 VHUFRESQJJTNRO-UHFFFAOYSA-N 432.238 0.687 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764380356 XIFSMYYVIDLFQK-UHFFFAOYSA-N 437.355 0.996 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 764396969 DEPAWSAWUVDATJ-SECBINFHSA-N 448.270 0.604 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 764513325 HYRJGJPDSKCVGF-SJKOYZFVSA-N 430.442 0.212 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)C1CCOCC1 765384984 KMSAEAAIKXXCRQ-LBPRGKRZSA-N 431.536 0.553 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 765404702 IARMFXOHFZCEPA-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD CCCOc1ccc2[nH]cc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 768367101 LXQGJAGGFRPWQY-UHFFFAOYSA-N 437.460 0.854 50 20 ICGD CNC(=O)C1CN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 768654443 WZTPPKJQCDGGII-DHDCSXOGSA-N 436.472 0.545 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 770255648 AICPCCPTKLUEMR-WCQYABFASA-N 446.913 0.131 50 20 ICGD CCS(=O)(=O)N(C)CCCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770343716 DKAMFVMUKKPYTJ-UHFFFAOYSA-N 428.519 0.585 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Br)c(F)c2)cn1 770815622 JAFWNPSRPKGPSV-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)co1 773417080 GDPIWDUQALQCNE-NSHDSACASA-N 430.483 0.596 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1Br 773532341 POJMOQULEPNNES-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1OC 775549980 VVMNOYODJPPVNA-INIZCTEOSA-N 435.502 0.840 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(I)cc2)CCS(=O)(=O)C1 783426677 JKYICYIDMHLDOP-CYBMUJFWSA-N 437.259 0.428 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2Cl)CC1 783427164 QLKYQDNRYBKJOI-GOSISDBHSA-N 443.957 0.228 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C[C@@H](C)O1 788170066 YREKVSBKTDGSIM-GASCZTMLSA-N 439.538 0.086 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc(N2CCC2=O)c1 790958122 JXDOFVGFWULJFT-UHFFFAOYSA-N 443.485 0.946 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cnn(-c3ccccc3)c1)C2 805109398 DKTWFAYHHALMQY-OALUTQOASA-N 439.520 0.900 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 807381956 QMUOBUGSMVSVHE-UHFFFAOYSA-N 436.517 0.452 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1C 807541540 OKQXBUFCITWHQE-CQSZACIVSA-N 431.415 0.835 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 814523218 CYMWWGQSJXIDMB-UHFFFAOYSA-N 449.489 0.988 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(F)cc1C 815693031 JVPSFRPGUXJOHM-LLVKDONJSA-N 432.412 0.251 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c(C)n2n1 915077157 GJVCUPUZXIVEFR-UHFFFAOYSA-N 448.530 0.870 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 915413922 HOYIXSFGRLNEPW-UHFFFAOYSA-N 428.854 0.536 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 916234230 YTCORVLSBIGWLU-UHFFFAOYSA-N 449.489 0.255 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n[nH]2)cc1 917178330 HOMYIWQULDHTSM-GJZGRUSLSA-N 445.501 0.182 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCc2nnc3n2CCCCC3)c2ccccc2c1=O 1318829629 TTZFKFJYTQLAMA-UHFFFAOYSA-N 438.492 0.828 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cn(C)c3nc(C)ccc3c2=O)n1 1318840830 YAQYXOOQGBHMQT-UHFFFAOYSA-N 429.458 0.554 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3ccc(S(C)(=O)=O)c(Br)c3)nc21 1324764478 RDHFPJXSRQULHC-UHFFFAOYSA-N 441.267 0.992 50 20 ICGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1778054788 BSRSENKKOWSSQN-DJJJIMSYSA-N 448.842 0.549 50 20 ICGD O=C(/C=C/C1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781284259 UVDUHFLKHXJSEB-JJNABOQBSA-N 426.322 0.946 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782178615 BNILYFYANLVFOJ-SPYBWZPUSA-N 432.949 0.127 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n[nH]1 1782209415 NRXQWZILRHGKRG-DYESRHJHSA-N 448.524 0.113 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782699985 URBBTVJPPOTNHQ-DYESRHJHSA-N 425.574 0.167 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c12 1783937834 XXMABNTZDWUHJY-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083581 CJWIMMPSDIFMMR-QXKUPLGCSA-N 447.960 0.727 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cn1 1784090822 NRTPSCZBTABPEW-SDADXPQNSA-N 425.869 0.061 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(O)c1 1784981920 OACJCDHJJOVILH-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740498 BXZHJRQZNJNPSF-IBHRTIHJSA-N 436.317 0.682 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCc2ccccc2[C@@H]1O 1796187734 ARGBINJYWFXVCY-PMNYKWLYSA-N 448.328 0.914 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c1C)C2 1796440594 TYHORBVFTMZHNV-FJABVQHVSA-N 426.477 0.660 50 20 ICGD CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890642 CKECXRKQJKCQPF-UGYGMJENSA-N 437.522 0.193 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1797956808 DQQMFSMXKQGCIU-ZSBFGKGUSA-N 449.584 0.071 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440102 BVPISPJYXZCYDK-XQLPTFJDSA-N 438.492 0.228 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798473301 ASHNHTSSTLSQQK-KQXIARHKSA-N 426.267 0.797 50 20 ICGD Cc1cccc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)n[nH]c12 1800072753 OQCOSRXLTDRLHZ-YVWYUNDQSA-N 442.520 0.448 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800159250 PEBFICWHPXTOMD-GFQSEFKGSA-N 440.335 0.741 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1800638928 DDBGESHNGYHHPZ-WYFGTUCQSA-N 427.242 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(F)Cl 1801089253 SIDOMYGTMBWEIY-FTPFZSLWSA-N 439.875 0.635 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1C1CC1 1801667017 IXDOFIUMCCCHKO-OPMZPASUSA-N 434.301 0.761 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803551702 AVHWMVHWSJUPJH-HGHGUNKESA-N 429.521 0.499 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccccn1 1805439872 DKRUYZHACZYNIK-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806386197 DLVJGQFZPBGGMU-OXQOHEQNSA-N 438.488 0.769 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366605 ZXTKNJRDPFWYOP-REWPJTCUSA-N 444.300 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cnc(N)s3)C2)CC1 1809896863 AHEAHZRNKMNULP-UHFFFAOYSA-N 443.533 0.882 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810296028 ZNEFWHVLMXSFBH-LZQZEXGQSA-N 440.504 0.417 50 20 ICGD CN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815336018 XDEGRBZRBOPCCA-MRXNPFEDSA-N 442.350 0.391 50 20 ICGD O=C(CC[C@H]1CCOC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347526 BYHBAWVUPKHUQK-BBRMVZONSA-N 443.334 0.865 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727962 DBBMFIDOSVBFKU-NSHDSACASA-N 448.505 0.548 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)O1 1819797155 NSRMYKIIDNQUEG-UEKVPHQBSA-N 444.517 0.935 50 20 ICGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CO[Si](C)(C)C)[nH]n1)C(=O)C(=O)O 1821715609 NRSFAXNQMGYXRV-CYBMUJFWSA-N 439.545 0.796 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322970 XIHVSOQOFDKVHW-NXEZZACHSA-N 426.882 0.234 50 20 ICGD Cn1ncc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cccc21 1830731082 HVXLPUWQGHAEMD-PXNSSMCTSA-N 436.896 0.243 50 20 ICGD C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(F)(F)F 1832155419 XYGZBFNBRAWOIJ-ZIAGYGMSSA-N 447.248 0.541 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1833081820 UBHHQIFUUNZGAJ-XYASWCNUSA-N 434.493 0.122 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122932 ZNZMSWFLVJQXTL-YOEHRIQHSA-N 428.961 0.338 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210981 YJBBIOISKGKTQC-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838048447 XMSGJVOOCUZHQO-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1838275808 RJYLGWILIXXHPT-FQEVSTJZSA-N 438.601 0.904 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571308 NIVRJKOKOIZVOQ-XLIONFOSSA-N 436.896 0.658 50 20 ICGD Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183731 WEYAYRUKPPDBPN-QHCPKHFHSA-N 446.548 0.367 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1841860498 YMXXXVJKPVHUBY-INIZCTEOSA-N 433.553 0.354 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843506468 RKFQLDVKPWIOKX-UHFFFAOYSA-N 434.305 0.492 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282810 JSJTZBDWCQKBED-UHFFFAOYSA-N 425.489 0.201 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(C#N)c1 1845138495 JDEZIXDIRXIICP-UHFFFAOYSA-N 433.273 0.306 50 20 ICGD O=C(NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1csc(N2CCOCC2)n1 12804437 ZGULMJZHPOOBHY-UHFFFAOYSA-N 435.418 0.734 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 725873846 RDZROTVXDQARDV-UHFFFAOYSA-N 429.502 0.606 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 728827936 GNVRLMNVMDEVOK-UHFFFAOYSA-N 428.470 0.962 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 730569328 UZXBAYUBRGVMGW-UHFFFAOYSA-N 426.842 0.673 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731544584 ZVFKSUSHNRIACM-JTQLQIEISA-N 446.420 0.465 50 20 ICGD Cn1c(NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc2ccccc2c1=O 733263320 VXSWXKQHEIQKGE-UHFFFAOYSA-N 426.458 0.882 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 734252775 HJOLQJGMNSIPQZ-UHFFFAOYSA-N 437.522 0.975 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1C 742478895 WPISYSPOCMPWGU-CQSZACIVSA-N 433.486 0.791 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c2ccccc2n1 748059191 SKAXMGNBAJPAOF-UHFFFAOYSA-N 432.440 0.872 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCNC(=O)C(C)(C)C)cc2)CC1 748620926 VSQUCRRLWQYVRV-UHFFFAOYSA-N 425.555 0.618 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccc(OCC(F)(F)F)cc2)c[nH]1 748704313 YPIXTBFDPKUCHA-UHFFFAOYSA-N 435.384 0.476 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751211329 GEOCNMLJEBAUMP-UHFFFAOYSA-N 425.488 0.498 50 20 ICGD CC(C)CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755531510 DMFKZWZAGGSGRO-AWEZNQCLSA-N 446.551 0.741 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 755861193 BXQRTSJOIXOHBO-UHFFFAOYSA-N 442.428 0.756 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 756682186 NMKVEWGALGBQNI-NSHDSACASA-N 430.483 0.340 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CC1 757868161 XATQSLXZBNKWRY-LLVKDONJSA-N 430.508 0.023 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 759220966 NGAVZBKDBIQJHR-UHFFFAOYSA-N 425.195 0.745 50 20 ICGD C[C@@H](C[C@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760196571 YWTMVJQAXYYGSR-LSDHHAIUSA-N 426.543 0.459 50 20 ICGD Cc1c(C(=O)NNc2nccc(N3CCOCC3)n2)nnn1-c1ccc2c(c1)OCCO2 762850883 MVSDOKQCTCOFHC-UHFFFAOYSA-N 438.448 0.730 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 763660467 AGVCKBRPIFUUKH-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD O=C1C[C@H](c2cccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)c2)CN1 763745791 KXUJPTWFIHGSNF-KRWDZBQOSA-N 435.484 0.829 50 20 ICGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763827709 YQXSWKXBIAPVND-UHFFFAOYSA-N 433.490 0.302 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ncn(Cc2ccccc2)n1 763944647 OIPUTKMHMCDXKT-UHFFFAOYSA-N 446.427 0.617 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 764139109 NQHPVDVKUQKKPG-UHFFFAOYSA-N 442.428 0.989 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 764204279 KAABPAQMQWBMKU-UHFFFAOYSA-N 439.520 0.051 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 764226397 XNKKHERGPWGYBI-QGZVFWFLSA-N 429.477 0.053 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 764366959 DBJOGYVXISYELE-UHFFFAOYSA-N 443.460 0.384 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 764387465 SXZFZVQFWXULRN-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)C(=O)OC(C)(C)C 764425657 PSULCLCFSHRHOF-HNNXBMFYSA-N 436.465 0.555 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)ccc2OC(F)F)n(C)c1=O 764820288 YWJYVOHENGUOLD-UHFFFAOYSA-N 440.794 0.839 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@@H]1CCCO1 765119428 QGZIJRAWSKLMGM-INIZCTEOSA-N 430.958 0.587 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)nc21 770982916 JJMJETCZBKEQCQ-UHFFFAOYSA-N 435.441 0.749 50 20 ICGD Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771608662 WITFMYMKHNKZKI-UHFFFAOYSA-N 441.849 0.678 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COC3(CCCCC3)O2)c1 776066037 WJWCXXOVZADTQL-HNNXBMFYSA-N 440.522 0.957 50 20 ICGD CN(NC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201928 NDJIUAOFLZQIQH-UHFFFAOYSA-N 446.468 0.078 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(C3CC3)nc21 778437835 FUMHQTAUCZYKLF-UHFFFAOYSA-N 446.464 0.680 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)nc1 782140029 FHNPHNLWHOSXOQ-UHFFFAOYSA-N 429.433 0.410 50 20 ICGD Cc1cc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)n([C@@H]2CCS(=O)(=O)C2)n1 783349674 NIACOTIBBBGBDV-GFCCVEGCSA-N 448.530 0.675 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3nccnc3Cl)cc2)CC1 784778351 VZDKIZVRHNNPKT-UHFFFAOYSA-N 431.884 0.990 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 788230490 NOOAZONLHKQEKT-CQSZACIVSA-N 438.531 0.878 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cn(C)nc2OC)c1 789585017 VHTUIOUAOHRGEB-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 793681698 JPBYAGSAHGKCRG-LVGZPDGTSA-N 434.540 0.986 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2[nH]nnc2-c2ccccc2)cc1 797701108 BRZYMCMSFGXESP-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD O=C(NNC(=O)c1nnc2ccccc2n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 798153820 HHZILEXZVMKGPE-UHFFFAOYSA-N 426.458 0.884 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)n1 803492732 KXSMRRTVGLJRFH-HNNXBMFYSA-N 445.501 0.632 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc2cc(Br)cnc12 807003935 CDVYXCNUDPYCOW-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1ccc(F)cc1Br 811683449 SYUCTMODXZIOPY-UHFFFAOYSA-N 446.320 0.434 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NNC(=O)c1ccccc1Cl 814647720 COTHJJZIRDMLOK-UHFFFAOYSA-N 440.909 0.759 50 20 ICGD O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNC(=O)c1ccccc1O 916229676 UKYUKQBWHDBESZ-UHFFFAOYSA-N 448.501 0.698 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1F 1320989268 LXBXPDWJPBBVGZ-UHFFFAOYSA-N 443.482 0.701 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777723392 APWCKNABXPQYDG-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H](F)Cl)C3)cc21 1778023120 QQWLXQXCMTWZKA-HBUWYVDXSA-N 427.864 0.288 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779060781 KZUGCFHBGQFNPX-GDZNZVCISA-N 426.315 0.890 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779330949 NHOBMASCWIPFLW-HXUWFJFHSA-N 440.290 0.062 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779545804 KNRDRCXTXZZPQC-RZQQEMMASA-N 425.602 0.878 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782278911 RIIZMQQZICXJOS-KRWDZBQOSA-N 427.299 0.894 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664033 HJOQMCMXGRHSBD-SUMWQHHRSA-N 427.299 0.247 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782699986 URBBTVJPPOTNHQ-LAUBAEHRSA-N 425.574 0.167 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782959644 FIQJKZUCLOQWQS-ZENOOKHLSA-N 437.356 0.567 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783933599 RRRANVSYOHGXQE-JOCHJYFZSA-N 437.585 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3c1)CCO2 1783936234 SLYNEIUHHBMJFB-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1 1783936913 AGWPXBWBKNKEDR-QHCPKHFHSA-N 445.564 0.834 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784085814 PKAKQKDRIBXTHU-QZHFEQFPSA-N 439.940 0.711 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784207541 YDXSWPKVMZEJDY-KOSHJBKYSA-N 436.317 0.689 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373208 CQIXLUYSWXZZOK-GPMSIDNRSA-N 425.917 0.304 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804599 GDTMCEHEJMNZQI-MNUAXYBXSA-N 446.331 0.518 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 1786020979 PHCIHWANQXARLZ-JHUKZBBPSA-N 428.449 0.402 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)n(C)n1 1789922342 KSFWQUNWJOEJOY-JYYRZZBQSA-N 433.278 0.713 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1792484285 CPWKAFGZDHNCBT-NLLTUHKPSA-N 428.327 0.465 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1795266551 RJMQRSMZFSXSOC-UPHUGPLXSA-N 437.500 0.439 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)F)c1)C2)c1ccc(B(O)O)cc1 1795732532 RCGOBJDWYVFBFX-JLVBRIDZSA-N 445.231 0.216 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1c(O)cc(O)cc1O 1799656559 DYSXFLPHWFHQIG-WRBXQSRGSA-N 429.267 0.792 50 20 ICGD Cc1ccn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cnc2c1 1800085756 JNOLPHABIAVTMQ-VPTLXERWSA-N 442.520 0.219 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](Cl)COC)CC1 1800982718 JUFHESWXYFYDSS-YYIAUSFCSA-N 445.944 0.698 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2nccn12 1801019620 KRFHAAQZGLGNBH-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CCCN1Cc1ccccc1 1801191498 RDCLIRYYGWNUCP-YHDCXSKOSA-N 435.952 0.840 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801533136 PGALOMPOOPMNMN-OPDFLTKYSA-N 425.345 0.184 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805718553 SJGJKOSQOCFBHM-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1808631257 LPUHNOJDYSXAED-JQHSSLGASA-N 435.912 0.844 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1 1809980006 JWQCTYCIDIKSTB-GOSISDBHSA-N 438.337 0.977 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1811465826 QWENRPUNMGVQBQ-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812403585 FIBOKYFNQCJLSH-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C(Cc1cscn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354588 KBDYDLSPXGCPAY-ZDUSSCGKSA-N 442.331 0.748 50 20 ICGD Cc1nn(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815410120 JCRHSPQDWUDCQE-GOSISDBHSA-N 436.281 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cn[nH]c3)sc2C1 1817556970 RYWFGBBHVZGVCM-JTQLQIEISA-N 426.462 0.404 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1820165667 LMLJAQCBPGPKBG-SJKOYZFVSA-N 442.614 0.557 50 20 ICGD O=C(c1cc(=O)cco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050622 AMZLHJZKTXATLV-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800114 QZZASWLBOHGVJO-VGOFRKELSA-N 441.381 0.988 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837590211 COFFWEADXGFWHX-CRAIPNDOSA-N 443.342 0.891 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839142363 NFWYCTNEWKXWRO-IINYFYTJSA-N 448.797 0.815 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n[nH]1 1839153358 HLLCMFXCGRBICH-MSOLQXFVSA-N 433.336 0.953 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036045 NCAIFZWLQWCXSC-XUWXXGDYSA-N 448.358 0.531 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1840153061 BNJMZLIFFDYXFU-BEFAXECRSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840155257 VHIPMMXFMZSYLE-MJVIPROJSA-N 431.686 0.387 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1841344988 RFYAHRAFSSLEQF-KBPBESRZSA-N 429.477 0.091 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841388198 MVLDXHWZVXCNIA-ICSRJNTNSA-N 449.511 0.798 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnccc2C(F)(F)F)C1 1842426067 KSFAYXCWKAZHDW-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843014773 ZPHNPIIBMDKTIO-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD O=C(COC(=O)CCn1cnc2sccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 12873248 QJZRKDADLSAVMT-UHFFFAOYSA-N 445.413 0.761 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 15879658 CMZSZKVBIZJVLW-UHFFFAOYSA-N 437.474 0.794 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 729455979 KLNCVPUWDQNNSP-AAEUAGOBSA-N 436.494 0.745 50 20 ICGD COC(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 731749564 ZLASJKXUCRWQFS-GOSISDBHSA-N 442.424 0.936 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCOC[C@@H]2CCCO2)CC1 735117372 TUOQIQYNUSXXFL-HNNXBMFYSA-N 427.527 0.047 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)nc1 741092761 IYZGUIHPIYREAO-OLZOCXBDSA-N 433.556 0.750 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)c1ccc2c(c1)OCCO2 741747454 PKOVHPVXLVDQLX-CQSZACIVSA-N 427.417 0.409 50 20 ICGD COCCn1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 743423113 KVKCMAJZSCRABO-UHFFFAOYSA-N 449.533 0.633 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1C 746915231 HIBXZFXLNDZEEL-UHFFFAOYSA-N 445.457 0.584 50 20 ICGD O=C(CCCn1cccn1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 747622896 BLXVNQFRCFBOCI-UHFFFAOYSA-N 449.533 0.464 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C(=O)N1CCCC1 748243577 CPWHVXVDEDGMMB-UHFFFAOYSA-N 436.515 0.610 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3cccc(OC)c3O)ccc2O1 751540384 APEHIUVUFLFHGV-INIZCTEOSA-N 436.442 0.891 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCc1cc(C(N)=O)no1 752128537 AABQTMQHSHYMLD-QMMMGPOBSA-N 426.227 0.834 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834353 FUNMRPPFSFBJQE-UHFFFAOYSA-N 426.437 0.165 50 20 ICGD CCO[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 760223372 CWPWZMXENZABFD-QGZVFWFLSA-N 427.523 0.920 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763682891 RGFJMLFDGHCKGN-UHFFFAOYSA-N 449.391 0.794 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763844308 YXYBKDRFHLNIFL-UHFFFAOYSA-N 439.403 0.955 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)n1 763886331 TZBLYIBGXKWTML-UHFFFAOYSA-N 448.505 0.035 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc21 764167638 LGFIKTFRYUNREL-SFHVURJKSA-N 435.440 0.477 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2NC1=O 764351374 QWYOXNHMIIFQHZ-LBPRGKRZSA-N 434.412 0.991 50 20 ICGD COC[C@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765727942 JZKWDCSFERPSBZ-MRXNPFEDSA-N 426.539 0.121 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)sc1S(N)(=O)=O 767369839 UZDXBPIFUOVMCB-UHFFFAOYSA-N 441.487 0.259 50 20 ICGD COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 768115587 YUMCBICZNCRFHA-OAHLLOKOSA-N 448.501 0.893 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)n1 769656511 ZLLDBXNZQHXIFS-UHFFFAOYSA-N 448.524 0.537 50 20 ICGD CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770972843 VVBHFNSOMBRJOV-CQSZACIVSA-N 445.505 0.829 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 772967795 BGSOJPLIGFHFFE-JTQLQIEISA-N 431.836 0.514 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 778443472 SYNZAGGDEBSABS-UHFFFAOYSA-N 432.524 0.818 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 780973936 KTCAZYKATYQECC-AWEZNQCLSA-N 436.444 0.308 50 20 ICGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784004742 RYHRDXJRVHWECD-UHFFFAOYSA-N 449.851 0.587 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)c1 785099191 ABRITAJLULEIMC-UHFFFAOYSA-N 447.398 0.803 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)n1 785232675 JOGSEQOLZLWJPH-UHFFFAOYSA-N 438.286 0.866 50 20 ICGD O=C(NNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCN(c2ncccn2)CC1 787858276 UBTUFTMVMIJVDI-UHFFFAOYSA-N 443.468 0.876 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(OC)c1 793443730 IJJZXQDERFHQCG-IBGZPJMESA-N 434.449 0.080 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 797369003 LNWRXYJBJXVTAB-MRXNPFEDSA-N 444.448 0.074 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 799258460 APYYIQVFZJMNLF-GOSISDBHSA-N 435.440 0.876 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)cc(C)n3)CC2)cc1 801165333 XJEAUPLESWZWAG-UHFFFAOYSA-N 445.545 0.774 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 802058173 BUVDGAXPZSYANA-CXAGYDPISA-N 436.490 0.884 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(OC)cc1Cl 802080397 VGTJZZBAAOBXMG-NSHDSACASA-N 427.889 0.920 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N=c2cc[nH]cc2)(S(C)(=O)=O)CC1 803393965 FVBZCQRAIMSEQT-UHFFFAOYSA-N 441.510 0.471 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1 806974229 APONSJRDUHLEGO-UHFFFAOYSA-N 449.485 0.713 50 20 ICGD CN(C)c1c(C=NNC(=O)Cc2nc(-c3ccccc3)cs2)c(=O)n(C)c(=O)n1C 807960218 BYTMZJNGOUCNDQ-UHFFFAOYSA-N 426.502 0.966 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1S(N)(=O)=O 808271208 PTGHNEAQWSHOPA-UHFFFAOYSA-N 444.473 0.673 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2O)cc1OC 810177867 YINYWRFBEOPXRK-UHFFFAOYSA-N 443.865 0.802 50 20 ICGD O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cnn[nH]1 810353513 KSQUHZIIVHGKFP-UHFFFAOYSA-N 426.764 0.216 50 20 ICGD CN(C)c1ncc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 811631278 RWFVLIMZZWGDPK-UHFFFAOYSA-N 448.549 0.590 50 20 ICGD CCCN(CC)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812701299 OZGHEVQDJGQJCR-INIZCTEOSA-N 441.602 0.764 50 20 ICGD Cn1nc(SCC(=O)NN=C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c1=O 814785308 PTKHHKIWSNPHLS-UHFFFAOYSA-N 438.510 0.074 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)cc1OC 913068051 GFCSJCUHOODEIU-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 918062484 VZVUAODZPVFAGR-UHFFFAOYSA-N 438.428 0.631 50 20 ICGD CN(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1320882315 QTCBVRGCKSIBHM-AWEZNQCLSA-N 444.554 0.837 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 1353486665 ORFRHJRVGJCWRD-STQMWFEESA-N 439.465 0.713 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1780062651 LVJQXDVPFVDZFT-KRWDZBQOSA-N 426.260 0.337 50 20 ICGD CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780770235 JHGWAHZAMIFBKH-PVXIVEMSSA-N 437.310 0.462 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325257 AVTWOTTWZASIKE-RDJZCZTQSA-N 440.273 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csc(N)n1)C2 1782210761 IHJBXVLHXIFDLW-AUUYWEPGSA-N 438.554 0.226 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1783312060 UKGIDJLWXVMJKE-MHECFPHRSA-N 436.317 0.922 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)[C@H](O)CCl 1784085139 CLQYNRCWDYSCFC-CENPHQPOSA-N 441.956 0.357 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784206675 ULQJSCFVJQAZNK-HOYKHHGWSA-N 436.317 0.689 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634961 VRDUAKHYNRFXRK-ABHRYQDASA-N 442.310 0.852 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cccc1 1788611456 YMARVYHJMZLXPO-PDWMJMLSSA-N 440.504 0.341 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789866281 NIVHIDSCXKLJBL-QBWPOKONSA-N 443.136 0.196 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790293582 BZSCKNZGKGFDOV-SCTFDZSOSA-N 441.868 0.802 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790565895 WBFGFKOSKDGVHQ-HNKHHVNMSA-N 426.901 0.348 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1790963286 BWLHRHYDQUSFFQ-AJNGGQMLSA-N 428.331 0.821 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285580 KGESKQBTOCHUTL-MJKMTRRRSA-N 447.442 0.520 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792980853 NRCZIWSDVSACDO-QMHWVQJVSA-N 445.944 0.433 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797994307 BFUMXJOZPSPMCQ-XCCSTKFXSA-N 433.839 0.700 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)c1cccs1 1799344259 FMFRRVJDQNSDML-RDBQEKCUSA-N 448.314 0.758 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344374 JQRBBSKVKLPRPA-OTMMVIPVSA-N 427.292 0.173 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)cn1 1799347311 LDERUONGAFONSZ-XCCSTKFXSA-N 444.257 0.762 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800640330 SBFZHFOUJRUIKR-XCCSTKFXSA-N 439.310 0.557 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1cccc1 1801413062 KIXPRXPZTRIKNT-CWPLJXCYSA-N 440.504 0.170 50 20 ICGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1801961654 OKEPXXGVJIMDIR-YIYPIFLZSA-N 436.372 0.834 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802246798 OGVWFTCTTSMZAH-USYVTKNRSA-N 440.305 0.374 50 20 ICGD Cc1onc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1C 1803888971 GRGYABREILCWKC-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365356 ODKZJMKQTXHZMY-SESVDKBCSA-N 437.305 0.650 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccns2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369400 IQYHGSIMZIHZTJ-QFBILLFUSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374639 ISWHFZRHOOLJAG-DYESRHJHSA-N 446.272 0.495 50 20 ICGD O=C(Cc1ccncc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807496008 XSHCMGVWIBQZSC-REWPJTCUSA-N 444.300 0.719 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810563536 FFEUVPHANYDRQY-XDNAFOTISA-N 440.928 0.492 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncn2C)[C@@H]1c1cccnc1 1813071302 RTMWPOMFWVUNJE-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071691 UCTMWUCUCUIVTE-APMMZXSISA-N 432.569 0.834 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815164545 LOZLUKYNIAIFSP-RTXFEEFZSA-N 435.934 0.329 50 20 ICGD Cn1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)cn1 1816452742 YXUZLUJWOATCQR-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473829 BRYUXHRICPNFDL-SUMWQHHRSA-N 441.297 0.310 50 20 ICGD CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)O 1820162978 XBWVJHMKDOWCON-JQWIXIFHSA-N 428.587 0.969 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)[nH]n1 1822416092 NRXKKCCNSOQLBC-ZDUSSCGKSA-N 446.516 0.108 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829057939 MOIFAJCGDZDUFM-PKOBYXMFSA-N 447.584 0.907 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1831649785 BTMTVQXWBHGAQX-FXAWDEMLSA-N 430.977 0.098 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832812523 AKFPDSHWTBEVKA-QAPCUYQASA-N 443.342 0.972 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCCO3)CC2)CC1 1833113056 GRMGZWWIKWZZAJ-IBGZPJMESA-N 437.585 0.500 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823276 LZBIDVRNCJSRPZ-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)c1cccnc1 1835078624 PQVKJEQNKHEDMR-GOSISDBHSA-N 439.919 0.917 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835660641 HZUGJKHQVSMOOR-PYTPGESOSA-N 440.972 0.647 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789676 QCGWQXIPJAQITB-ZBEGNZNMSA-N 447.355 0.826 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835976136 JJCJYHIQSHXBFD-YOEHRIQHSA-N 435.308 0.247 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837402160 DRKGFXHVXCEUMZ-DEYYWGMASA-N 433.343 0.799 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)on1 1837484279 HSADZEINFDUPEX-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837747180 SPHVLDQYZKJDGL-GUYCJALGSA-N 428.898 0.294 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1838276095 JBHZPOMPKLLPOF-RHSMWYFYSA-N 447.305 0.743 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366630 PHZBGIMUYHFJSO-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840031640 XWQOPJMQUAMINQ-YVEFUNNKSA-N 445.314 0.594 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840149983 CSFCJNWECBUTTH-AUUYWEPGSA-N 427.885 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1840183793 AMQJGHJMAJVMPD-QGZVFWFLSA-N 438.447 0.158 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184048 PBRYOIPXJNIINK-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840340954 NTZITXDNDYBLPS-RNYZBBNUSA-N 441.326 0.910 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840854258 YHKPEFPVEISNPA-FXAWDEMLSA-N 443.617 0.599 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012566 BPIUCJYDIUVZNU-MRXNPFEDSA-N 435.289 0.002 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1844198829 GRVWWLCCFJRASS-FQEVSTJZSA-N 429.477 0.298 50 20 ICGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845216414 POYIGHVDGRFNIX-CABZTGNLSA-N 443.273 0.887 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1846176745 AMPORBIDMMKZEH-NEPJUHHUSA-N 434.331 0.859 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057726 MUQTVSTYVITXKX-MDZDMXLPSA-N 435.245 0.805 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 10214255 KQRGSLKXKOIDDV-OAHLLOKOSA-N 439.515 0.090 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)c2ccccc2c1=O 21759715 CWZIWHZARYOPPT-UHFFFAOYSA-N 429.458 0.700 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2nc(-c3ccncc3)no2)cc1OC 110383076 XZCVAPGVIZTASQ-UHFFFAOYSA-N 448.461 0.961 50 20 ICGD CCNS(=O)(=O)CCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 731680593 PGTSXVYJQNPASJ-JTQLQIEISA-N 437.316 0.486 50 20 ICGD O=C(NNC(=O)c1ccnc(C2CC2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 732627197 NGMOABZURJCUAP-UHFFFAOYSA-N 431.474 0.450 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 732666774 CPRKJWOZXZWEHY-CYBMUJFWSA-N 441.326 0.918 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1CCSCC1 732932041 MMUVSIXPRMKYFQ-UHFFFAOYSA-N 441.575 0.931 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)C2=O)cc1 733776939 WJLMOKQGSCUWSR-AEFFLSMTSA-N 433.424 0.914 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C1CC1 741880431 QITNEORIWOGADN-UHFFFAOYSA-N 433.490 0.393 50 20 ICGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)c1nnc(O)c2ccccc12 749014773 PNYLGTBKOQGUEQ-UHFFFAOYSA-N 426.408 0.777 50 20 ICGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 750643680 LDPCJEHUAMJKAW-OAHLLOKOSA-N 437.522 0.424 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 754201587 FOCNICQCEIOYDN-UHFFFAOYSA-N 436.446 0.916 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)Nc1ccccn1 758840653 LHSIGARCCROOHS-MRXNPFEDSA-N 445.501 0.410 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C(=O)N(C)C 763574525 CHLWLNVXSPPCCC-QGZVFWFLSA-N 426.429 0.623 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(OC)c1OC 763681815 OGJGNWNGNUNIEW-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)cc1C(N)=O 763942144 VPICGJNPWAICNF-UHFFFAOYSA-N 442.251 0.413 50 20 ICGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2C)c1 764001873 GFWUKTXQDDGUIY-CQSZACIVSA-N 433.490 0.318 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1 764042936 NUVGXTKMHWDQDG-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)c1 764225674 CACMTKQVPFRYRD-VIFPVBQESA-N 435.300 0.090 50 20 ICGD Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764228661 ZOIFDRJRWCOPAU-LLVKDONJSA-N 430.552 0.909 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc21 764275245 KWESMGXPJTUGPM-UHFFFAOYSA-N 439.428 0.258 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2cnn(C)c2)n1 764363350 NJGXVHKAFQOPLP-UHFFFAOYSA-N 425.405 0.182 50 20 ICGD O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642866 NUYNYPQYDHXIBD-SFHVURJKSA-N 435.484 0.718 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)N1C(=O)CCC1=O 766659926 JPVZIWUSDPZWNZ-CQSZACIVSA-N 435.912 0.143 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 767447273 JNGQJDUHEOOFAP-LBPRGKRZSA-N 442.494 0.321 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 770239187 HZQWZGZXDCEZEZ-AJHXJQRKSA-N 435.575 0.648 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)nc21 770958910 SRQRRRYEESZRJF-UHFFFAOYSA-N 445.461 0.575 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772888435 IRHIFOMZBKCELV-UHFFFAOYSA-N 438.893 0.716 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)s1 773235316 XAAWXJZBEXREBG-UHFFFAOYSA-N 442.544 0.725 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 775213327 VSNAHOAVNDNFSM-SNVBAGLBSA-N 441.428 0.991 50 20 ICGD O=C(NNC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)c1csc(N2CCOCC2)n1 777411871 JJAJRCSVOSHMAZ-HXUWFJFHSA-N 442.501 0.930 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 778435828 MKMQDTRZNQBBMF-GFCCVEGCSA-N 434.449 0.483 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1C 780352388 QUJQKZYHZWFOLX-OLZOCXBDSA-N 425.507 0.807 50 20 ICGD CCNC(=O)N(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 780708142 GHUGTSSAZJTKHT-MRXNPFEDSA-N 426.271 0.909 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 787890335 YMYUGCZGNWZWBI-WDEREUQCSA-N 447.897 0.274 50 20 ICGD O=C(COC(=O)c1cnnn1-c1cccc(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 789106027 YDJSZMQGXUMRFO-KRWDZBQOSA-N 441.375 0.551 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 790002864 ODGTWITUMPJUIM-UHFFFAOYSA-N 439.515 0.917 50 20 ICGD COc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1OC 792788920 SNWBZGNUWHYLJB-UHFFFAOYSA-N 445.432 0.605 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 795152035 NWOBAJONQBRTSM-UHFFFAOYSA-N 440.547 0.786 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c2ccccc2c1=O 798831054 ZKFQKSMFJDVXQF-LLVKDONJSA-N 444.448 0.364 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccn1 806664455 QXLRVNASOQFFHI-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2c(Br)nnn2C)c2ccccc2c1=O 809954407 TYYPZUOMFCMEKS-UHFFFAOYSA-N 434.254 0.772 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)nn1-c1ccc(F)cc1F 815691252 JTIXJBDKXNEVGX-NSHDSACASA-N 444.402 0.399 50 20 ICGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692540 UCEFGOSEWORYTC-SECBINFHSA-N 439.245 0.837 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)nn1-c1cccc(Cl)c1 815693506 ZRDQNCBKJPMMRZ-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 816827820 GLEFGNSOJAMCPC-CYBMUJFWSA-N 445.567 0.156 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 817055143 NSJGOSRLWQEVEE-UHFFFAOYSA-N 428.474 0.978 50 20 ICGD CC(=O)N[C@@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 839244360 HDEINXSTKOUISB-BBRMVZONSA-N 447.469 0.846 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 916235843 YCKUJASPLXXVJC-GOSISDBHSA-N 444.579 0.529 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2csc(C(=O)O)c2)cc1 917720366 GDRVADCIBFFZTH-UHFFFAOYSA-N 447.516 0.385 50 20 ICGD Cc1cnn(CCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 918280359 JGOSQWONMWHPCU-UHFFFAOYSA-N 449.533 0.383 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1115813302 AWRRGOWBIJALQY-UHFFFAOYSA-N 435.458 0.596 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)N[C@H]1CCS(=O)(=O)C1 1251233401 UGDLJRLWLSQJNS-ZDUSSCGKSA-N 444.460 0.335 50 20 ICGD O=C(NCc1cccnc1N1CCOCC1)NNC(=O)C1CCN(c2ncccn2)CC1 1338563921 WTPLCDMRUWSFCY-UHFFFAOYSA-N 440.508 0.455 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@@H](F)Cl 1778026436 UMACLFPNYHMLOR-SUYBPPKGSA-N 448.904 0.500 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)n1C 1779032213 GTAGEGWEIIAPQC-QFIPXVFZSA-N 440.504 0.398 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1780095044 CIQPRRNOOBQVBR-OAQYLSRUSA-N 445.428 0.943 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781223733 CWVVRZBJPVTQOQ-MSOLQXFVSA-N 429.304 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1782483940 DGTNDARJGRHROD-NRFANRHFSA-N 446.483 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2)C1 1782759556 PVERPVPHWGHVFW-CSODHUTKSA-N 447.561 0.708 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783245474 CJAPZTXCKQFPJV-GNVZTASGSA-N 426.322 0.636 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784084484 UUHLVRRUGHPAGK-COZGXFGHSA-N 444.956 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cnn2c1OCCC2 1790372352 RGBJJKKYXDEKFQ-DOERSZECSA-N 445.289 0.949 50 20 ICGD CCOc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286739 IOTITIADANXQBZ-SZMVWBNQSA-N 447.536 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CCS(C)(=O)=O)cc2)CCC1 1791990022 HNGJOEGCFXLUNT-UHFFFAOYSA-N 438.550 0.928 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)c(O)c1 1792730364 QODYCOJPUDRXKT-NXEZDXNNSA-N 426.897 0.787 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792980155 MJACZHPNIHPCNV-OXUXUCFPSA-N 427.841 0.412 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792980432 OPCUIBXNFRVZEY-LTCOOKNTSA-N 433.896 0.379 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792981014 YFJTUHGPXAETSU-LZDSYCOUSA-N 440.884 0.464 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(O)cc2)CC1 1793027507 UEHCXTATNIZFCV-VPTLXERWSA-N 444.532 0.386 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794266354 YIGNOQODKPTWMK-NRWUCQMLSA-N 439.310 0.415 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)s1)C2)c1cccc(B(O)O)c1 1795737380 XONJTTDTBWGELP-HBCWATKFSA-N 448.737 0.527 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1799273978 NTQHVKRJGWCZPS-AODNKKSCSA-N 445.347 0.961 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799349818 LLGTUQQAUIQNHJ-KHQUWSPVSA-N 430.278 0.557 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800642645 UNLOBLWHPBPSDR-NQNKBUKLSA-N 445.402 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2 1801011492 PWMLUFPGUWHHOV-HBCWATKFSA-N 428.493 0.091 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1 1802344379 YVVKMJXFHZEVCG-REPLKXPHSA-N 443.548 0.736 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803678475 KUWURNUISXRPIE-QKYXUNIQSA-N 425.294 0.364 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116555 WNKFPXWZVKSTNY-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807330309 WIRWXLRIKJJHDG-GCJKJVERSA-N 432.569 0.849 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807768069 IZGVOIYDIMFYMM-UTKZUKDTSA-N 447.304 0.680 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1809550524 IHQUCYASRHDEAF-NSGGIEJNSA-N 437.305 0.649 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966746 LHDNXVSGSNOCIA-UHFFFAOYSA-N 426.282 0.404 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3ncc(Cl)cn3)CC2)C1 1809975167 WAUQEOMIXPGPLT-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812315395 ZROZVHYSIXGBLZ-PLMTUMEDSA-N 432.569 0.801 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)C(Cl)Cl 1813081305 LXRUSWDFYLMNOU-GOEBONIOSA-N 433.336 0.178 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1 1814051626 XIFNLRRDWHBMRF-AZUAARDMSA-N 432.289 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814985801 QQXYJUKQYVGNBF-CYBMUJFWSA-N 449.581 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2nc(N)n[nH]2)n[nH]1 1819285562 GOWUPBVOFFOECO-ZDUSSCGKSA-N 446.516 0.108 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822377740 YXSYHNKPFUPMBM-PWSUYJOCSA-N 429.861 0.199 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825709844 ZGJNTTYHXCRIPY-IBGZPJMESA-N 438.293 0.409 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)C(F)(F)F)CC2 1826009587 VGHJBRHUQHIOQD-SFYZADRCSA-N 442.847 0.987 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1826139764 VMRLPSOCJUXMFQ-SVRRBLITSA-N 428.820 0.333 50 20 ICGD O=C(c1cc(O)ncn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056307 VRMDDESJXWHKPZ-LJQANCHMSA-N 438.293 0.409 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1827060156 QAGRYDIMUNZPRJ-UZLBHIALSA-N 439.325 0.452 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724626 ADJGJPRGOYUXGF-UGKGYDQZSA-N 447.919 0.833 50 20 ICGD O=C(c1cccc2cccnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728023 NEWXOGIXSZQOAI-LAUBAEHRSA-N 433.892 0.905 50 20 ICGD CN(C)c1cncc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1 1833308142 KBPUNWLUZXAHLV-LJQANCHMSA-N 437.972 0.933 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833532393 MXKMMYLKYHJDIV-IRXDYDNUSA-N 429.993 0.558 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833861572 ZSCYIWZADDCIIP-BEFAXECRSA-N 428.917 0.906 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903004 YVBOBLUWQBJVKO-SJKOYZFVSA-N 445.314 0.594 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823269 LXRKQTCRPSWZMX-KBXCAEBGSA-N 433.343 0.801 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)[C@@H](F)Cl 1835078455 GZBQVMCPJBLRAI-MRXNPFEDSA-N 430.868 0.897 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836122026 ZSNRINLYKHRSJF-HXUWFJFHSA-N 441.912 0.731 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc(Cl)n1 1838228303 NDYRKPHVRYAWDM-SCLBCKFNSA-N 448.303 0.413 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1 1838346437 TXTJGSAVRDXOTP-LJQANCHMSA-N 426.901 0.820 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150804 XYILSAUWTQZVKH-BVGQSLNGSA-N 438.352 0.594 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200898 RTTMYTTUGMHUQV-RZAQHMAJSA-N 443.335 0.292 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839553879 DTXHSUFEWGTQBH-IFXJQAMLSA-N 440.859 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839960514 LFEUUYDNXZCHOF-WAOWUJCRSA-N 440.924 0.300 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648692 YVLLFYMKTUONOJ-OXJNMPFZSA-N 439.896 0.109 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012239 RPKUGBKXCFCDBE-UHFFFAOYSA-N 449.232 0.282 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)c1 11643108 NLYQGHHQAHXVJU-UHFFFAOYSA-N 428.474 0.652 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2O)c1 17575459 JEOVTULTHNLSGC-UHFFFAOYSA-N 448.501 0.614 50 20 ICGD CCC(CC)N1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 728328084 FTJRJKKHFZELMR-GUYCJALGSA-N 433.461 0.554 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 730329634 AFBZTRKVGYJSBF-AWEZNQCLSA-N 438.462 0.991 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@@H](C)O1 732264638 VYOOVQZVAJDFGS-ZIAGYGMSSA-N 444.579 0.793 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)o2)c1 733123431 LJIAGARQUYLHDC-UHFFFAOYSA-N 443.503 0.788 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)cc1Br 735028114 NGISZFYQIFVTKC-SECBINFHSA-N 428.330 0.313 50 20 ICGD Cn1cc(C(=O)NNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 735471104 OIAAFMIHWHPHFN-UHFFFAOYSA-N 433.412 0.959 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(C)o1 736460596 ZMRFJUQBWANEMS-RDBSUJKOSA-N 427.479 0.832 50 20 ICGD CCCC[C@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737061124 IZRFGMWASMZUGW-MRXNPFEDSA-N 442.538 0.857 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1 741208132 ZORAHGISHXZIGT-CQSZACIVSA-N 428.493 0.772 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1 741215605 IYMLSFVKMSVUSD-AWEZNQCLSA-N 428.534 0.919 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748464705 IUSOJWVXXAQNBU-UHFFFAOYSA-N 428.468 0.833 50 20 ICGD CC(C)(CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(C)(=O)=O 748966827 ASISOJFYGSQTQB-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl 749562065 VAVNZSUXOYWFSJ-LBPRGKRZSA-N 428.898 0.397 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 752244644 JTWDIZWBDQWGQV-HNNXBMFYSA-N 435.433 0.384 50 20 ICGD CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 752723002 HMPDWPMWZXGSPE-VIFPVBQESA-N 433.437 0.042 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 754189532 GAFYLJHNSRNDCS-UHFFFAOYSA-N 432.252 0.838 50 20 ICGD Cc1c(NC(=O)c2cccc(NC(=O)NNC(=O)CO)c2)c(=O)n(-c2ccccc2)n1C 755494479 JRIPFBZVMRUYEM-UHFFFAOYSA-N 438.444 0.882 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cccc(Br)c3)cnc2n(C)c1=O 755846555 LYDZWFUKLADWHS-UHFFFAOYSA-N 447.249 0.861 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1-n1nnnc1C 756318352 HETHNGWUVJQXQS-QGZVFWFLSA-N 425.405 0.972 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1F 756336100 REAMWULFPMPRGQ-UHFFFAOYSA-N 437.395 0.823 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cn1 756844264 LYLPMLWTPJECGE-UHFFFAOYSA-N 426.433 0.971 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 757994241 KARROLPEEYANQF-SNVBAGLBSA-N 425.446 0.648 50 20 ICGD Cc1nn(Cc2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)c(C)c1[N+](=O)[O-] 758039298 JGWUHEWGONDFEN-NSHDSACASA-N 438.466 0.155 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 758040422 PNCFZAKITBBVOA-YVEFUNNKSA-N 446.485 0.328 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1C 761686474 JUIAEOUVQFJCRE-UHFFFAOYSA-N 438.531 0.856 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 762089180 MRSVGCINUWXANA-QGZVFWFLSA-N 429.525 0.815 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762410475 WUMWCGQPMPQTHK-MXNCWBMWSA-N 433.486 0.486 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1)S(C)(=O)=O 763573032 POMAVIJEAXURMW-MRXNPFEDSA-N 448.457 0.008 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)cc1 763660627 DJFHPVFDNBVMQU-UHFFFAOYSA-N 430.417 0.494 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763872710 OJTPOYZKFMXCMX-SNVBAGLBSA-N 428.376 0.605 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763878011 NXIBIZUEMOVPFW-CYBMUJFWSA-N 437.416 0.418 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 763884884 GULTVUMQVQTFHS-INIZCTEOSA-N 428.449 0.404 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763974621 TZRLLTOFNLZALN-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764083343 QNNQFNLFMNMYMV-CQSZACIVSA-N 436.534 0.944 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2)CC1 764172121 QFZDDFDMFLATNR-UHFFFAOYSA-N 441.488 0.662 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764342921 KAYCZMJALJHZMM-UHFFFAOYSA-N 439.881 0.176 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cn1 764380363 XJGFDTNMKRZSSG-UHFFFAOYSA-N 428.373 0.243 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(C#N)cc1 764523052 KDKLEIQFPUXQDY-ZDUSSCGKSA-N 427.442 0.323 50 20 ICGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664828 VOTFJVBBWMMFQQ-INIZCTEOSA-N 440.953 0.553 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)n[nH]2)cc1 768267897 GOWIZLDKNHMGPY-UHFFFAOYSA-N 449.471 0.603 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1Cl 768274463 DNBRJTHONQZVKE-UHFFFAOYSA-N 431.880 0.963 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O 769027785 OTVVCFOCIWNAEG-NRFANRHFSA-N 437.460 0.209 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc4c(c3)NC(=O)CO4)CC2)cc1 770787768 JHZMZOUBXJQXSQ-UHFFFAOYSA-N 438.488 0.300 50 20 ICGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 771605085 OHWYWXNCAKZMTC-UHFFFAOYSA-N 438.849 0.411 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cncc(NC(C)=O)c3)ccc21 773081394 BBJCXTYHYYSSRF-UHFFFAOYSA-N 438.444 0.140 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NN(C)C(N)=O 778417249 QKPYSJJUXRHDSB-NSHDSACASA-N 439.357 0.891 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782892764 GLZZMPPGXWRXIJ-UHFFFAOYSA-N 436.472 0.912 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 784003562 IRSXAKKMFPLKNU-UHFFFAOYSA-N 429.458 0.173 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccccc2O)n1 786718171 RUUAGALSUKBMBO-UHFFFAOYSA-N 425.467 0.564 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 789925553 PMRRUUQIJABCQT-UHFFFAOYSA-N 440.459 0.752 50 20 ICGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 792773780 KUFLQNJPIZPAAX-UHFFFAOYSA-N 433.490 0.629 50 20 ICGD COc1ccc([C@@H](C)C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 794524669 OOWIGKXSHFKPIH-LBPRGKRZSA-N 442.476 0.747 50 20 ICGD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 800505863 OKVKGIPOUAWQJQ-HNNXBMFYSA-N 449.558 0.878 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 802061756 TWZQYSHIJHGCFI-LLVKDONJSA-N 435.462 0.314 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066820 AMANPKZKERGEAE-FQEVSTJZSA-N 446.485 0.650 50 20 ICGD NC(=O)Cc1occc1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 802762435 GLKXWUQOTFFQCL-UHFFFAOYSA-N 433.896 0.540 50 20 ICGD C[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807504449 ARHJMYMIDGOPKX-LSDHHAIUSA-N 426.543 0.316 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 807609609 QPTKHIOXAPCMLT-INIZCTEOSA-N 443.485 0.731 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccccc2O)cc1 810355495 FTGPIXPCUOSEBG-UHFFFAOYSA-N 449.485 0.627 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n(-c2ccc(Cl)cc2)n1 815693190 OIYYDYHDVJNGMU-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 815751686 KEVUSMRCVWLIAB-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 818580379 IBTVSLFDRBRIEI-OAQYLSRUSA-N 443.435 0.861 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 825781543 DPZMSBACARJIOB-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD Cc1ccccc1[C@@H](CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NC(N)=O 914338867 AZPYFAMUSCVQDJ-CQSZACIVSA-N 432.506 0.849 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 915188162 WKRKLAXUHJRXGN-HZPDHXFCSA-N 441.454 0.803 50 20 ICGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CN1CCCC1 918221546 WXZCRQGGVSGXRA-INIZCTEOSA-N 439.586 0.376 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3nnc(-c4ccccc4)o3)cc2C1=O 919961435 HLIQQGBCTNXHEJ-UHFFFAOYSA-N 427.398 0.586 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 920428156 ZUCCEGVRWNSKID-LICLKQGHSA-N 434.395 0.556 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 933891354 HDIHBCWCXKLINW-MRXNPFEDSA-N 443.435 0.871 50 20 ICGD O=C(c1cn2ncccc2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777953297 NFKLMOSKFMKJSP-BBRMVZONSA-N 426.246 0.863 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778230582 SSXICDIUVHHEBE-SXGZJXTBSA-N 445.944 0.673 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)c1 1780863404 MTLUZCKGQFOHPO-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486732 VUHGQJCCQBGHCL-NIKGAXFTSA-N 445.347 0.994 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1782639435 CPBSJISKFHSXGV-BLLLJJGKSA-N 435.388 0.331 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937251 QUYVLUQWTFNZRP-SUMWQHHRSA-N 433.347 0.363 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1783969225 FUZQJTRWSBUOLC-IMIFBBOLSA-N 427.299 0.807 50 20 ICGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](Cl)COC)C[C@@H]32)nn1 1789398761 TUQBVTYPCZNNBL-AYDFFVQHSA-N 426.901 0.722 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1789863651 ZFUIBYVBASOJLE-YXWQFLTLSA-N 426.901 0.710 50 20 ICGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CC1 1789925861 WOTIFHQDKPFBKQ-ZDEQEGDKSA-N 435.290 1.000 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3F)C[C@@H]21 1791293930 PFUYXPCBGHQHAG-OWQGQXMQSA-N 436.484 0.498 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccn(C(F)F)c1=O 1796188625 AFGANCQEAGGJDV-MUJYYYPQSA-N 445.231 0.489 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189202 JTIFKLAYLRLQIB-REPLKXPHSA-N 436.273 0.917 50 20 ICGD COc1ncccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190900 ZPJYLAORYZKMOL-ACDBMABISA-N 437.305 0.655 50 20 ICGD Cc1nccn1CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443566 IYARASIETOBUNJ-BJWYYQGGSA-N 439.520 0.922 50 20 ICGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799276564 NMGPCSNEIDLMRK-DDFXLWFNSA-N 425.382 0.296 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)C1=O 1801017245 ZIIXYNYRDXCDNK-BZBKMWRSSA-N 426.256 0.828 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805515163 MBVKMTOJGYNVOU-LSDHHAIUSA-N 447.960 0.703 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccno2)[C@@H]1c1cccnc1 1805631956 VSNWMXRCYACTJA-KSSFIOAISA-N 435.444 0.702 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Cl)[C@@H]2c2cccnc2)CC1 1809669674 VLQZZHYXWKGKJQ-UHOSZYNNSA-N 439.919 0.786 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1810301749 BJHXQVVWNGPYHB-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1813072827 KUQUZGJAQACNQQ-UTKZUKDTSA-N 437.504 0.974 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)c1ccccc1 1815354789 DPDBWXDGMNGQGW-INIZCTEOSA-N 449.297 0.932 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(=O)cco1 1816650029 FTCLYBIEQWXFDG-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD CN1CCN(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)CC1 1817150084 IWZLOXPIFJLJSB-JKSUJKDBSA-N 426.949 0.639 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)c1cccc(B(O)O)c1 1817473108 GDKMOCVPYTUFKQ-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD CC(C)(O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402133 OXZGTEWUUWGVHK-HNNXBMFYSA-N 429.481 0.875 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1821122596 PBLMHACEUKHDHP-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)CC2 1826006590 JUANMIFRWHKBKH-MJBXVCDLSA-N 444.001 0.945 50 20 ICGD Cc1ccn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827050186 IARDCKXCDZRREQ-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Br)CC2)C(=O)N1 1830375266 AEINLGHTWIAKNA-SWLSCSKDSA-N 447.305 0.848 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832027131 PKXHAKONQDPCNY-DENIHFKCSA-N 447.919 0.833 50 20 ICGD O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832491513 CVSPNJBGVGKVAR-BXWFABGCSA-N 428.844 0.817 50 20 ICGD N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1834601074 PNKOOQYQPNTGGW-UHFFFAOYSA-N 439.520 0.174 50 20 ICGD C/C=C/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798819 BPUKFMDKWPJORZ-IAROGAJJSA-N 425.338 0.684 50 20 ICGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)C(=O)OC(C)(C)C 1835210513 FAGUTWRFVMEUML-KBXCAEBGSA-N 437.896 0.844 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837243595 SXJWWTPPIWZECV-SUXZAAGHSA-N 443.335 0.292 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1ccnn1 1837715970 UKNUMHMZNFGRHU-MAUKXSAKSA-N 425.562 0.147 50 20 ICGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1838961310 FPQGDZLAZOESFD-PXNSSMCTSA-N 425.913 0.422 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c1 1839152325 WJUVANKASNXMAO-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199255 TWKNZPVFBVHIFX-CZUORRHYSA-N 434.237 0.981 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840156387 RMWYKRRLMPNODQ-BBTUJRGHSA-N 440.924 0.300 50 20 ICGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2)OCC 1840156469 SMJBGRHFUNRWNH-DNVCBOLYSA-N 436.933 0.486 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201115 FRMVUAGEMXKQQK-MRXNPFEDSA-N 443.850 0.386 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842059795 JBMILFPXMAGFNL-GHMZBOCLSA-N 439.310 0.980 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012624 IHFJYHOQFVUVOY-OAHLLOKOSA-N 425.319 0.759 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Cn2cncn2)C1 1844347180 QSJUHVXNOBNSKM-YJMCUSNWSA-N 426.481 0.252 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844484554 KDFHCKKZGHHXMF-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c(C#N)c1 1846385413 CFVQQVZGOAYYCI-UHFFFAOYSA-N 427.505 0.686 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 10415146 SKLWSUKEXWWTQW-UHFFFAOYSA-N 438.488 0.719 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)n1 16492019 KPYRZBLYQINVQC-UHFFFAOYSA-N 440.485 0.697 50 20 ICGD Cn1nc(SCC(=O)N/N=C2/C(=O)Nc3c2cccc3C(F)(F)F)c(=O)n(C)c1=O 17682461 VUEKCQODSZZNBD-UHFFFAOYSA-N 442.379 0.063 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 729275348 NVYZEYCTWICWAZ-MRVPVSSYSA-N 441.388 0.501 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 731330470 WAFFLHKBANVMNA-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732236228 PTAKSHGUDITRBZ-MRXNPFEDSA-N 428.511 0.193 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)C1CC1 733123882 JCGOVPIPPXEEBL-UHFFFAOYSA-N 444.513 0.795 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 733255822 BRSMMONEBKGUHC-KRWDZBQOSA-N 435.440 0.593 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)C1=O 734252084 BWOINNQYMDBTEV-UHFFFAOYSA-N 425.511 0.881 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734674371 UFDVTRPJNWYOCR-SNVBAGLBSA-N 428.417 0.910 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2[N+](=O)[O-])CC1 740746476 HCYWCXZNIQINTA-UHFFFAOYSA-N 425.409 0.687 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)CCOc1ccccc1 747176694 DIXSWLYHYFSBCJ-UHFFFAOYSA-N 436.446 0.880 50 20 ICGD O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NNC(=O)C(=O)N1CCCC1 748445641 DFPKWHCZTGFEPH-UHFFFAOYSA-N 432.359 0.978 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 753023530 WUNWBRJUAWBDTC-UHFFFAOYSA-N 449.489 0.697 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)Cc3cn4ccccc4n3)C2=O)cc1 753292535 QWNJLSHHGJYCQL-GOSISDBHSA-N 431.456 0.880 50 20 ICGD COc1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1O 756838350 MEHZWOLYVJPNGI-BETUJISGSA-N 446.464 0.700 50 20 ICGD Cn1nc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc2c1=O 758534414 GLJDGEAMLMGHAG-UHFFFAOYSA-N 429.296 0.374 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)C2)nn1 762579771 ULVJPQPPQDXRQT-INIZCTEOSA-N 438.448 0.942 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 762847338 GAGTZYQIZXOWBI-SZNDQCEHSA-N 445.524 0.893 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 763205769 FNBACOCWLXWTNX-UHFFFAOYSA-N 440.341 0.634 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)cc(OC)c1OC 763538478 CIFSEZPAXZZSPQ-UHFFFAOYSA-N 440.416 0.693 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2nc(-c3nccn3C)cs2)cc1 763660787 HAKPRYKWTNSTBF-UHFFFAOYSA-N 430.446 0.717 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccccc2F)CC1 763680251 SVFQFJFUKHTZJP-UHFFFAOYSA-N 429.452 0.742 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763808641 ZPKFCMPLWRHWPO-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 763865824 QXDVKSYDUDXALL-LBPRGKRZSA-N 433.392 0.931 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)n1 763892958 OWRUOODOKOIFNY-UHFFFAOYSA-N 428.493 0.980 50 20 ICGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 766280980 XBJZNBDGWJMDPW-HOTGVXAUSA-N 437.522 0.330 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 767267669 PMEPVEJUWRJCFN-SFHVURJKSA-N 437.456 0.348 50 20 ICGD COc1ccc(-c2nc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cs2)cc1 767301814 PHTAYQJEQVILJF-UHFFFAOYSA-N 446.514 0.854 50 20 ICGD CS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 767847239 HABOTCWBLBHLBJ-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3C)c2)cc1 771606371 PXWVXROKUZJEJC-KRWDZBQOSA-N 446.485 0.878 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cccc(C#N)c1 773681531 WJABDRISFZGTIR-UHFFFAOYSA-N 430.490 0.956 50 20 ICGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 783309556 SQYWZQYHTCWFHD-UHFFFAOYSA-N 444.535 0.016 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)ccc1-n1nnnc1C(C)C 783425969 KSBYDTSUROHTJH-GOSISDBHSA-N 435.510 0.231 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 785024722 ZAZPHSAXNSULIL-GFCCVEGCSA-N 443.416 0.925 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 785385011 GTTKACBKGQPYTE-CYBMUJFWSA-N 449.485 0.973 50 20 ICGD COc1cc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O 789262301 SBUXJNNYLKMJPY-UHFFFAOYSA-N 433.373 0.865 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 789731297 ASCBCQACIQNAQS-UHFFFAOYSA-N 427.373 0.279 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790066230 ZJYGXXNAELJRMO-FQEVSTJZSA-N 448.476 0.227 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792391974 NONGSCTWZXSTNZ-UHFFFAOYSA-N 431.478 0.890 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1C(N)=O 796992406 QFYMKERHJYIOHV-UHFFFAOYSA-N 432.408 0.877 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(OC)c(Cl)c2)c1 800631758 XQUVNYLKLITNFK-UHFFFAOYSA-N 433.852 0.906 50 20 ICGD O=C(COC(=O)CN1C(=O)COc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 806850097 KVKKDHBHPCCPBH-UHFFFAOYSA-N 428.357 0.325 50 20 ICGD COc1ccc(NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 810606041 QKDFTCUTJATLEV-UHFFFAOYSA-N 437.434 0.983 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=CC2(CNC(=O)OC(C)(C)C)CCC2)n(C)c1=O 814877560 QPCKWJMHUIBKQX-UHFFFAOYSA-N 447.496 0.231 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)cc1Cl 821135955 WYEOIBRRRTWMGL-QMMMGPOBSA-N 442.874 0.400 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 913210541 BGRLBIYCUQKBQB-LBPRGKRZSA-N 441.444 0.259 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 914748297 UACKGZQVWODNIG-OAHLLOKOSA-N 430.486 0.751 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 916830535 FMKBALAEVJCTIC-CQSZACIVSA-N 438.440 0.905 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1O 1779036984 LDWDHKSCEJMBOQ-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)[C@@H]1SC(=N)NC1=O 1779296018 ZKXYJGLFXKJBPB-YEWDVWPNSA-N 442.614 0.470 50 20 ICGD CC(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371325 OWMURRWAUIMJSD-DYESRHJHSA-N 433.509 0.238 50 20 ICGD O=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CCN1 1780776737 FNKSTWCZUPJXEL-HSTIPLNKSA-N 434.306 0.717 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782658584 XGCVDEXQWLCJHC-HTAPYJJXSA-N 431.537 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782724442 IEMARIKIDBMZKS-SFHVURJKSA-N 428.436 0.574 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(F)CCCC=C3F)C[C@@H]21)c1cccc(B(O)O)c1 1786986827 KKCSQNZCMRUBSV-JVGYHMDPSA-N 448.275 0.705 50 20 ICGD C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609848 MZEIMZBMSJWFRY-RCBQFDQVSA-N 437.447 0.490 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789867874 KRIFFMIMLFWLQB-RVFOSREFSA-N 443.393 0.883 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc(OC)c3OC)C[C@@H]21 1791254542 WITIQTHJJVSODY-YXWQFLTLSA-N 441.912 0.946 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793625165 UYZIGEHREIQSKN-XJFOESAGSA-N 433.933 0.479 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794110981 AEIHKCIRMYTCNE-JNZVMSIHSA-N 438.912 0.600 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1n[nH]c2ccc(F)cc12 1796189053 QQFWZUGSLAYGCZ-BJWYYQGGSA-N 436.252 0.947 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1800168063 SWNHMVNLVKADOV-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 1800925307 IRFGAFYOOUBBAN-KVNUXVDHSA-N 449.511 0.692 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2nccc12 1800993674 NXRHOJVNXPNUEL-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]n2)[C@H]1c1cccnc1 1803759987 AALRNBZWOWJBNL-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1 1805476832 PWPPFGAZLVSRGU-TZIWHRDSSA-N 430.273 0.790 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1806123168 SQKZCPCUDHUESF-HRAATJIYSA-N 441.488 0.727 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(F)n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373843 CYYLHGHWNWIVKJ-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc4cccnn4n3)CC2)C1 1809971079 LCHACOOXAKRBOT-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cnn2c1OCCC2 1812116273 QPIPVJHOMMRCBP-USXIJHARSA-N 433.896 0.980 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825641689 MEAXXIFSSWIZGH-AMJWSMQMSA-N 447.355 0.489 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826091793 CKZLLJHEPDKQDG-ZIAGYGMSSA-N 447.565 0.961 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306567 VOCMPDWLIQYKNK-QGZVFWFLSA-N 430.977 0.464 50 20 ICGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833522556 TUHXOCUORVVGNM-IAQYHMDHSA-N 435.338 0.760 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CN1 1834424297 PFCVGANJZXFRSH-ZDUSSCGKSA-N 429.359 0.479 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798067 QTUNMXLJWZTUGU-FQEVSTJZSA-N 449.788 0.959 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1836072753 RNJDJPJTRRMBJL-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1837715524 VGEYOERJAQWGDD-WKRCXCSHSA-N 439.629 0.635 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839710368 CAVQHMHXXFXZEP-GRDNDAEWSA-N 444.330 0.469 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840153824 ZTLKHZGRPRCZPW-VLIAUNLRSA-N 436.896 0.887 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840239297 KFDSZWOFWMBNQB-XLIONFOSSA-N 428.888 0.733 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840932565 NSAUETRQMLYLEK-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845621886 WVTHWJOTXBRCRF-UHFFFAOYSA-N 430.484 0.972 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1846386043 XHKZVYPTBDXLAJ-SFHVURJKSA-N 426.521 0.329 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 18230883 VULYRPCTWLQBMO-AWEZNQCLSA-N 442.476 0.056 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(Br)c1 728170232 BGNRLTBCQURMFI-UHFFFAOYSA-N 436.284 0.460 50 20 ICGD C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728380389 RVBGFESMHZISDW-UKRRQHHQSA-N 443.547 0.445 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1=O 728386000 QRDNBIPSGXSWEE-QWRGUYRKSA-N 429.882 0.284 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 731177017 AUCJNMBJIJPXIH-UHFFFAOYSA-N 426.472 0.808 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731497161 ZUWAKZHRSOLYMD-UHFFFAOYSA-N 448.501 0.860 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2c[nH]nc2C)nc2cc(S(N)(=O)=O)ccc21 732082752 IZYZDBOEMSMKCS-UHFFFAOYSA-N 433.494 0.519 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 732196017 VILUXEMOOJNMMR-GFCCVEGCSA-N 447.355 0.701 50 20 ICGD Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)cc1 735115348 XXMGVVRJOOKNSB-UHFFFAOYSA-N 428.470 0.982 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cc1OC 735630102 HJGGRRFNTIJADG-UHFFFAOYSA-N 440.456 0.804 50 20 ICGD O=C(NNC(=O)N1CCn2c(Cc3ccccc3)nnc2C1)c1ccc(-n2cnnn2)cc1 743509746 JTURYILVLOCCOP-UHFFFAOYSA-N 444.459 0.715 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(Br)ccc1O 743731931 DHEQSRQSGKAZOI-WDQYXFPCSA-N 434.246 0.723 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746636871 HXWZJWALLGRJKF-UHFFFAOYSA-N 444.473 0.668 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 751294158 MPQAGRQOXALJFP-UHFFFAOYSA-N 435.477 0.896 50 20 ICGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)(C)CN(C)C 754377130 GAHRLKLRTDDUEK-HNNXBMFYSA-N 441.602 0.620 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756712934 QNCRJLJFXHDIOP-LBPRGKRZSA-N 432.524 0.816 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 756796430 OWJBEPQGCUTGHL-CYBMUJFWSA-N 428.449 0.985 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2=O 756859980 ZTEWYKHBJFWLOQ-IOASZLSFSA-N 430.461 0.721 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 758168523 WMTJLRLCVJAZQQ-UHFFFAOYSA-N 447.517 0.248 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)cc1 763659824 RXQUGSDOADLWJE-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763662656 YUVOHKUHIOKYIB-UHFFFAOYSA-N 435.458 0.654 50 20 ICGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 763805009 ZVIIEFDTEWSZQK-UHFFFAOYSA-N 436.352 0.916 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 764136096 NXIGUUDTNDEFEZ-UHFFFAOYSA-N 441.473 0.721 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cn1 764326914 QUWNQYQXGPFYCA-UHFFFAOYSA-N 440.254 0.700 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1-n1cnnn1 764379080 QAIWEXJCVKNQIU-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767736272 YDCFMWSLPZZVDG-UHFFFAOYSA-N 440.504 0.694 50 20 ICGD COc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nc1Cl 768712805 UUSVRQMEHYXUGO-UHFFFAOYSA-N 440.913 0.832 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 770648504 ROENXKSUHZRCOI-GFCCVEGCSA-N 441.897 0.811 50 20 ICGD C[C@H]1C[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 771437110 XVRIZXYSNBENIH-GJZGRUSLSA-N 426.543 0.459 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(Br)c(F)c1)c(=O)n2C 771674338 DVGVYEIWYRQZMN-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 773070856 TYTOAHWBXGSRRD-KRWDZBQOSA-N 435.956 0.864 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1S(=O)(=O)NC1CC1 773081692 JBJCDNYIQYXIOW-UHFFFAOYSA-N 447.473 0.564 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNc1nccc(OC)n1 773723839 GRVZMKOSBMKHNV-UHFFFAOYSA-N 429.481 0.718 50 20 ICGD O=C(CCn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 777779457 LLTOPVXOGLWDCO-UHFFFAOYSA-N 443.323 0.613 50 20 ICGD COC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 781559970 YCEDNXFHSRFPBM-UHFFFAOYSA-N 425.507 0.357 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(OC)c1 782120656 KFYIDRLMKCHZEI-UHFFFAOYSA-N 429.385 0.653 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1nnc(O)c2ccccc12 784293362 WGLVHSZYDYISAE-JKSUJKDBSA-N 425.445 0.538 50 20 ICGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 789588455 CAPDFDWIPOMLTF-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)sc2S(N)(=O)=O)c1 798699434 ZVMFMDRCWPDMLV-UHFFFAOYSA-N 431.879 0.975 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccc(Cl)cc1)C(F)(F)F 806563900 CZRAJFHLCUIYEY-NSHDSACASA-N 446.835 0.872 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 807369494 WJUWKFAWKVMOOR-AWEZNQCLSA-N 446.526 0.629 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 810385027 VEFFSXCWQTVOFB-UHFFFAOYSA-N 438.362 0.897 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 814650380 IXHMOSCBYOQSDV-ZDUSSCGKSA-N 433.494 0.382 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)n1 913025937 ZTRPDOIPUJCCQL-UHFFFAOYSA-N 434.305 0.933 50 20 ICGD CC(C)OCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 914711269 SXSNQURIKDYZBE-UHFFFAOYSA-N 427.523 0.603 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 915108411 ZYBZRUALQPPGAL-AWEZNQCLSA-N 436.490 0.716 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 915832219 OQPUHFATUBQAJH-DGCLKSJQSA-N 445.444 0.475 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CCCN1S(C)(=O)=O 916530655 JATHHKDAQZLXDK-GFCCVEGCSA-N 433.870 0.077 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2ccc(F)cc2Br)CC1 918211758 BZGQLNQIUUOHGG-UHFFFAOYSA-N 430.278 0.743 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 918570482 UYPLTKPDPWPIPF-ZKTNYTPDSA-N 436.534 0.468 50 20 ICGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 920999908 WKUFTJIMZAWBBC-GOEBONIOSA-N 425.507 0.816 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 921018983 GEEAYKOPQJJOLQ-UHFFFAOYSA-N 449.514 0.464 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccnc(N3CCOCC3)c2)c1 1317927838 GFMDPFSIDSBLRU-UHFFFAOYSA-N 433.490 0.466 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331620 URLBHIPVWNGRMH-YWPYICTPSA-N 435.319 0.533 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332174 VHICSKFIJXQMQH-CZUORRHYSA-N 426.246 0.863 50 20 ICGD COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783680403 GFQXVHXCTFENSN-AEFFLSMTSA-N 440.896 0.047 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1783880102 BLAPGJZHBATSBV-DYESRHJHSA-N 436.940 0.467 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945799 BZDBOJRDQSPHMM-LRDDRELGSA-N 425.265 0.115 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4cnccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979663 ILNVHODMSQARCQ-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255385 NCWVJVKYWZJLAT-WSMBLCCSSA-N 437.928 0.627 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21 1788610779 UKUJZLYGMKRFPO-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)on1 1789364251 KDJZVKBXWUNUTK-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNC(=O)C3)CCC2)cc1 1789521980 SEYBOBJBCSHGOV-ZDUSSCGKSA-N 436.472 0.569 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791693242 RPKRTABYQWQSCJ-UHFFFAOYSA-N 447.256 0.039 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1793447188 AKDHVPSZNUTETM-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccn3c1)C2)c1cccc(B(O)O)c1 1795739026 QURGZFJNMYSLKQ-HGKCTWBKSA-N 439.302 0.198 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1Cc2ccccc2CN1 1796189170 GMANGVYCXVNJSH-CIAFKFPVSA-N 433.317 0.333 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439165 KLLCMERIWOXNIR-LLLHUVSDSA-N 437.504 0.833 50 20 ICGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1798524352 CFICCNRSXKSGOL-RUGDWHBFSA-N 449.407 0.661 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1OC)C2 1800639418 VFWKVTSFLGHDSS-YVECIDJPSA-N 427.299 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cc[nH]c3cc1F)C2 1801011893 QBZMAENBFPXRPS-USGNIVHTSA-N 445.495 0.883 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)nn1C 1805589958 LGSMKNQFBHXGAG-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807047486 GFMWKRYPMXWGHM-BXWFABGCSA-N 435.601 0.532 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807365225 LRJOOHWYMGCSQV-UYAOXDASSA-N 437.305 0.508 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369470 KYDKFWNEYSZELQ-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)C(=O)Nc1cccnc1 1810459572 RLTHJHCEPYILPS-XIRDDKMYSA-N 431.880 0.721 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815106726 HWJFBEBBOOAYFC-UKRRQHHQSA-N 435.529 0.690 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337352 RWOHIXCSOQTCEI-HOCLYGCPSA-N 428.323 0.143 50 20 ICGD O=C(Cc1ccncc1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343891 VEYZJZWWWPJUJC-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)no1 1817474709 WZDPKZQKGKZELL-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476814 DKLNXACBLAOBRV-HGZMWJMZSA-N 439.281 0.435 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818915037 DGLIUZMZZOEBEM-ZBFHGGJFSA-N 426.949 0.903 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](O)CCl)CC3)cc21 1824181261 ZMRAACHCRHABMH-DOTOQJQBSA-N 437.928 0.460 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnccn1)CC2 1826091959 HLJACIAVJGYYQD-ZDUSSCGKSA-N 445.549 0.851 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@]3(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826261946 QDTONVRKYLHPHY-FTLABTOESA-N 437.689 0.973 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)cn1 1830358593 DTIHTMOQYSEQIY-IBGZPJMESA-N 426.901 0.820 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Br)CC2)N1 1830377109 UOFASTOCFAZXQP-SCRDCRAPSA-N 447.305 0.895 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732492 ZEBZZBWNOKJSNA-LRDDRELGSA-N 439.818 0.703 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738581 QCWQNVXTOXDXKO-OXFYSEKESA-N 425.913 0.316 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1832820474 OAGISNAVFOYTHU-RXXLQFRUSA-N 443.504 0.949 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833040289 CBZOVWKSZNEWAQ-DOTOQJQBSA-N 447.305 0.647 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833767885 GQIBGQVQUXSBBT-PBHICJAKSA-N 446.273 0.851 50 20 ICGD Cc1nc(N)sc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834751862 CEYGLGVZMJEEIN-CQSZACIVSA-N 429.974 0.819 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844050 COWYLQMGRXXEDK-ROUUACIJSA-N 430.977 0.727 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097041 JRUBBUGDRBXFCG-BEFAXECRSA-N 426.901 0.153 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837847386 COSDEKMZISDXCV-IERDGZPVSA-N 445.369 0.352 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839148176 PPGYVWXQUIHNQJ-AUUYWEPGSA-N 439.875 0.956 50 20 ICGD O=C(c1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197530 AGJYZDUCJAOJGU-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839667425 PLGMICFGWKPHMT-IBGZPJMESA-N 442.900 0.282 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031568 UNGZSPYHANBJOI-PIGZYNQJSA-N 447.305 0.965 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840153065 BZLDNGWUNMLWSH-JXFKEZNVSA-N 440.928 0.543 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cccn1 1840439950 AFRAZTIZIUODCV-YOEHRIQHSA-N 429.315 0.686 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840525912 WEWZDGJADKLMGU-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1847341691 UGQIRMYWDWHTPR-IHRRRGAJSA-N 445.948 0.592 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CCOC1 1847565409 PISFPGVLHLUUCP-MNUAXYBXSA-N 431.917 0.472 50 20 ICGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1nn(-c2ccccc2)cc1O 13082347 BYSFZXNHRIDMRH-UHFFFAOYSA-N 435.487 0.769 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3F)CC2)cc1 28928411 YWRNSBQNWJAKKE-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 725871521 MJJLLRKNLLNRCL-UHFFFAOYSA-N 447.879 0.791 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 727761409 BCNPRDUNCWCDIU-UHFFFAOYSA-N 448.501 0.971 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)c(F)cc1F)N[C@@H]1CCS(=O)(=O)C1 728505447 GQNRAVAAGBUEJJ-ZCFIWIBFSA-N 448.267 0.407 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 733043962 UMYLGKIYFJMKIM-UHFFFAOYSA-N 449.533 0.510 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccc1OC 733169928 HQWWIJRCTFWQTE-UHFFFAOYSA-N 429.458 0.864 50 20 ICGD Cc1cc(C)nc(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 735112792 KTOXDHUYKHCQCK-UHFFFAOYSA-N 433.538 0.856 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnc1Cl 735265647 LURYGYNGZGCWDL-UHFFFAOYSA-N 432.911 0.917 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)COCc3ccccc3)CC2)cn1C 737637320 VUZCSXOAQYBIPN-UHFFFAOYSA-N 449.533 0.493 50 20 ICGD CCc1cc(NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc(-c2ccccn2)n1 738531155 CIUWKJFMIQUMJU-UHFFFAOYSA-N 432.444 0.804 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1CCN(c2ccccn2)CC1 740749233 RJZYVPNUWDOITD-UHFFFAOYSA-N 445.549 0.266 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1C 741819578 NTOAEQFYLTWDLO-UHFFFAOYSA-N 444.469 0.458 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 745863498 VWBKJKKFRWHTTE-INIZCTEOSA-N 429.525 0.796 50 20 ICGD CCc1nc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1Cl 748232478 YSVUIAGOPLAXRX-SNVBAGLBSA-N 426.886 0.614 50 20 ICGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2cc(C)c(CC)s2)CC1 749464098 RCOVHMFOMORSMK-UHFFFAOYSA-N 438.550 0.771 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 749901505 QOICSJHVGIGHSY-UHFFFAOYSA-N 444.459 0.736 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 754513310 QVPTXJHDCDEIBC-IEBWSBKVSA-N 435.477 0.310 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755056782 RRMWQJKSOJRZRF-LBPRGKRZSA-N 432.437 0.672 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])n1 756927794 HPNLJQYEQBEVBG-UHFFFAOYSA-N 429.411 0.460 50 20 ICGD O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(S(=O)(=O)CBr)CC1 758527480 LJZKBPDKWCEDCQ-UHFFFAOYSA-N 430.280 0.109 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cnn(Cc2ccccc2)c1 760239524 LLUOJMYRQZEWFT-UHFFFAOYSA-N 427.490 0.356 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1 763668004 XIIZBZAXTOPQDR-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 763674055 KJSYANMUBKZRBU-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763759824 CSTMJKCWPFSJLR-UHFFFAOYSA-N 426.477 0.652 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763805627 SZCALLIOEJMUDS-UHFFFAOYSA-N 445.432 0.830 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)COc1ccc(Br)cc1F 763818352 IPYMVSBCJVCMDY-UHFFFAOYSA-N 425.214 0.939 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccccc1Cn1cncn1 763944759 PIJGKKMLIZCRMK-UHFFFAOYSA-N 446.427 0.617 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 763998311 OYAOITZICXONEQ-SNVBAGLBSA-N 432.296 0.587 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002380 LPEHLVLDZKTBNT-SECBINFHSA-N 448.295 0.368 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c2ccccc2O1 764132672 VQTLHJWPFZHINT-HNNXBMFYSA-N 429.385 0.129 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1 764177305 OEKSTXFZTLKGKN-UHFFFAOYSA-N 434.391 0.950 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc2)CC1 764201952 IJJZSBRPDGZEPC-UHFFFAOYSA-N 433.509 0.504 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1 764230769 KWHVUBUHTIPXBV-KGLIPLIRSA-N 448.501 0.850 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cc21 764377924 SQXDGKQMGPCQFO-UHFFFAOYSA-N 440.441 0.893 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 764620715 AJYUVLJQIQESTG-UHFFFAOYSA-N 439.515 0.721 50 20 ICGD Cn1c(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cnc1Cl 765090675 VBSCBEZCZGQUEY-UHFFFAOYSA-N 436.922 0.966 50 20 ICGD O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)CNC(=O)c1cccnc1 766654408 LNTHZGGSCMKZMC-UHFFFAOYSA-N 426.429 0.783 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 767276284 QUPJRCRUYIOXTM-UHFFFAOYSA-N 444.469 0.078 50 20 ICGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772192021 IYDSXZUDALCFCC-UHFFFAOYSA-N 435.868 0.358 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 772632067 VUFJDTUWPVSKTD-UHFFFAOYSA-N 427.464 0.887 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 776062793 ZMLZJTQFTZGPLH-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783428386 VBOCVQIHUCIZMK-OAHLLOKOSA-N 434.312 0.984 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)coc3C)CC2)cc1 786391969 NZLVNMXBOCYMKO-UHFFFAOYSA-N 434.518 0.972 50 20 ICGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 786687546 ICXFCQXIUWGMDC-GJZGRUSLSA-N 436.534 0.914 50 20 ICGD Cc1ccc(-n2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2C(C)C)cc1 792269885 YDLFODGURVWTRC-AWEZNQCLSA-N 447.517 0.825 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)CSc2ccccc2O)cc1 798336237 HIJRWDBNBLUINE-UHFFFAOYSA-N 439.515 0.558 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 815692474 RSCOZCWUXHRTLG-NSHDSACASA-N 428.840 0.466 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 920858270 XJTMGCSNHSGXAC-UHFFFAOYSA-N 439.538 0.662 50 20 ICGD Cc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)ccc2cncn12 1116527868 LZUKVXKWEUNQSC-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1341794724 MSDRTDYNWMAIDD-HNAYVOBHSA-N 433.490 0.553 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210552 HFNYJOBTUOJHSF-ZABPZDLMSA-N 439.896 0.536 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779732343 IRHBLQGBWXTOGU-HXUWFJFHSA-N 446.414 0.116 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780953328 YWURXAFSLLGEOV-WBVHZDCISA-N 440.273 0.792 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1782736867 PUDHECZYYMMILO-BRXAOSEPSA-N 443.529 0.825 50 20 ICGD O=C(COc1ccccc1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783354667 BKGUPRYFHIUPJK-QFIPXVFZSA-N 442.252 0.028 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1783933973 PUOOQPLPIRCBLY-HRAATJIYSA-N 433.509 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cnc1Cl)CCO2 1783934620 JMVWGKKEQLWBLR-LJQANCHMSA-N 441.891 0.691 50 20 ICGD Cc1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1784687435 MOESCWHRMCTZSY-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]32)CCC1=O 1784983489 PVOHDZUIUAPZDI-XBPIAWKYSA-N 433.336 0.811 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785734212 XYJAMRGSKREGFR-JLTOFOAXSA-N 447.960 0.967 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787398398 YUMPDWGGHFPEQH-YGTGSIHKSA-N 449.346 0.683 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176525 XLCNJZYRACRZCY-HAFSJTIUSA-N 433.933 0.827 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1791253474 AJIOIQDSHJCUIE-HVTWWXFQSA-N 435.952 0.934 50 20 ICGD N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1792423318 FOJJMQDDQLSMFB-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792483862 GBQIDAYCHISHBB-LMLFDSFASA-N 432.344 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833887 NSOFFLHVUTWEBJ-BBIADKPPSA-N 441.532 0.453 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncsc1Br)C2)[C@H](O)CCl 1792978196 JVOCBSIXXGIHRF-UTINFBMNSA-N 438.731 0.709 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1793452573 BDGWOCNFGCBRDJ-WTNVTLLGSA-N 439.944 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794445679 ZXIXXFCIGVALGF-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1)c1ccc(B(O)O)cc1 1799929394 NZCQDFPVTNSVQW-LFZDHENXSA-N 439.321 0.019 50 20 ICGD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)Cc1ccccc1 1800435380 CVKAESZCFYPVIC-RDDKANTKSA-N 425.323 0.963 50 20 ICGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1800839963 CQJCZRCIMWBODR-AGGWBTHJSA-N 427.325 0.449 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802091897 KUIGOHLGZZHNAY-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1802283981 NOTANOXUCWBWDA-GWZLXJJCSA-N 425.917 0.349 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807079353 RIMARJQFJRZBOE-JHOJWFKBSA-N 432.569 0.834 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cnn1C 1807369693 RWVPLWPYKAYNNU-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Nc1nc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cs1 1809976935 ZWUZTTJURAYEJT-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1O 1810662840 YQGKHPIYAIMWDP-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1812419208 WLZSTPCXRVDEEO-IERDGZPVSA-N 427.509 0.426 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)c1ccco1)CC2)c1cccc(B(O)O)c1 1815347965 ZWHUNCVNACKWBW-SUMWQHHRSA-N 441.274 0.375 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674256 OTCCZHFOUBWVQC-SFYZADRCSA-N 436.885 0.512 50 20 ICGD O=C(CN1CCCC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817157090 JNDNCUZZYLUEPQ-QGZVFWFLSA-N 439.281 0.018 50 20 ICGD O=C(CCc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817551889 LPUIJAWWIHCMDU-IBGZPJMESA-N 448.292 0.818 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819509984 GKFMCQKSFMJRDO-NGFNCXNUSA-N 449.363 0.207 50 20 ICGD CC(C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793427 NPMQYAAZZXYJJN-BMIGLBTASA-N 432.506 0.384 50 20 ICGD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)cn1 1819795975 WTYMBILHQIKZCL-LLVKDONJSA-N 440.489 0.415 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncn1)CC2 1819797389 UWMCIJJUCNFBGT-JTQLQIEISA-N 438.473 0.471 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1822412457 RACGXIWNPUXRCP-MRXNPFEDSA-N 428.497 0.808 50 20 ICGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1824553232 GYWBCXQDJHWTDZ-WPRPVWTQSA-N 427.870 0.229 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825447471 XYQPXHGXYVFBGZ-KXUCPTDWSA-N 446.371 0.821 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829536895 YETXCABZHROCPS-DNVCBOLYSA-N 427.885 0.150 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)CCl)CCO2)C1 1830354301 WJEFXDNYTWBSHO-FQEVSTJZSA-N 431.961 0.870 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnc1 1830975568 YLLQIWUKQQUXCU-RHSMWYFYSA-N 429.315 0.686 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831646568 LFQXDVVERRCAHH-KUHUBIRLSA-N 436.900 0.602 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833191035 VSBIGABGZVRPTB-YLJYHZDGSA-N 425.913 0.724 50 20 ICGD CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CBr)CC2)CC1 1833265059 NSWUAUMMKIVEBD-ZDUSSCGKSA-N 431.375 0.725 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1)[C@@H](O)CCl 1833308282 PGJHRPBIHHBNCK-IBGZPJMESA-N 448.955 0.603 50 20 ICGD O=C(c1cc(=O)cco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834605963 DSVCAPFHMOPHBK-BBRMVZONSA-N 433.230 0.400 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609142 IAEGTPKCIUQBFU-SJKOYZFVSA-N 429.267 0.493 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835156831 ALQJCWNFUDXOIA-XLIONFOSSA-N 426.897 0.430 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)o1 1836715685 WMBNFJSLINTOOY-OAHLLOKOSA-N 428.917 0.953 50 20 ICGD CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836880654 CVCODEJNGBGSTE-FQEVSTJZSA-N 448.394 0.933 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315797 MZMMQHLORYGYNK-INIZCTEOSA-N 444.834 0.813 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868050 QRZNLKDJICBZEE-CXAGYDPISA-N 427.299 0.578 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3)CC2)CC1 1837922173 SRHAISNYGJKFKN-HXUWFJFHSA-N 446.378 0.874 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)C1 1839067279 LJLFFFKTFMUEHD-VBQJREDUSA-N 436.322 0.475 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839357245 FKYFGRSBVQMXLY-XLIONFOSSA-N 426.897 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839711188 PGPCVSKBLQAEHI-ZENOOKHLSA-N 430.303 0.079 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840153342 LCEGPYZPIDZUJA-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840155602 BEUITZNOVRFRSW-TXPKVOOTSA-N 433.933 0.001 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840444217 GQYYMLNUQQFALQ-JJRVBVJISA-N 429.315 0.684 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cncnc2)C1)NC(=O)NCc1ccccc1 1842485132 KNHPMIRZJCUDCV-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD O=C([C@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010446 QJEGNCYOJYUYDD-HXUWFJFHSA-N 433.273 0.377 50 20 ICGD O=C(Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1)C1CC1 1843014612 GAYUQMPVPYJJGN-UHFFFAOYSA-N 447.300 0.846 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1843911894 FCRWDHCPFDLFHI-UHFFFAOYSA-N 435.289 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1ccc3sccc3c1=O)C2 1846384223 SNMFMVZFWBGBNX-UHFFFAOYSA-N 445.545 0.639 50 20 ICGD CC(C)n1nc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1C(=O)O 1846384472 WUJARSYVGUIPIQ-UHFFFAOYSA-N 434.497 0.352 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc(OC)c1OC 26688574 NQOVXZHKFIDVQH-UHFFFAOYSA-N 442.428 0.839 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 195478246 JTPXTASVIHCYOD-HZPDHXFCSA-N 439.472 0.743 50 20 ICGD Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2Cl)cc1 729277042 SBYRWTYGVGZQHN-GFCCVEGCSA-N 427.914 0.900 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 731502448 ZUCXPGQKJXHIQR-UHFFFAOYSA-N 435.481 0.719 50 20 ICGD Cc1nn(CCC(=O)NNC(=O)C2CCC2)c(C)c1CCC(=O)NNC(=O)C1CCC1 732292766 SCMQZDDIAISDMG-UHFFFAOYSA-N 432.525 0.718 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)N2CCc3ccccc3C2)c1 732746536 CPALZWAMHSFLNE-UHFFFAOYSA-N 438.531 0.474 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC 732815509 WFZQBJQMRYUIFB-GFCCVEGCSA-N 432.399 0.560 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc21 735630870 BKLJZVRSTDJGNN-UHFFFAOYSA-N 438.440 0.558 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744949525 KAVASKJZHLWCDV-LBPRGKRZSA-N 434.412 0.557 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745449892 XNWUCGRRPSALGI-YUHPLZMDSA-N 449.847 0.195 50 20 ICGD Cc1nn(C)c(C)c1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745912526 GITVZTKNMKBUPS-UHFFFAOYSA-N 436.542 0.194 50 20 ICGD O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NNC(=O)C(=O)N1CCCC1 748247205 MEIDUOYMBGJRPX-UHFFFAOYSA-N 431.499 0.956 50 20 ICGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 750713164 CPCKYSWXLROPLV-INIZCTEOSA-N 446.533 0.785 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCN(Cc2ccccn2)C1=O 753289169 JPEPPVQPTUYWOI-MRXNPFEDSA-N 425.445 0.988 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 755446905 SDCYSVHJQDGFLY-LBPRGKRZSA-N 446.961 0.572 50 20 ICGD COc1cc(CN2CC[C@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2)cc(OC)c1 756101536 MDISHZLNQCCIPO-HNAYVOBHSA-N 426.539 0.659 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 756835541 OEUSNWOPEOYPLH-UHFFFAOYSA-N 432.506 0.995 50 20 ICGD Cc1oc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(N)(=O)=O 758787833 WMDSEHBAKJGJET-UHFFFAOYSA-N 445.498 0.485 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nc1 759739501 WMTSDODUWMYONN-SOUVJXGZSA-N 438.506 0.421 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 760977880 SFBKFFFWCKGDPB-KGLIPLIRSA-N 441.554 0.755 50 20 ICGD CN(NC(=O)CNC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 763283909 UGILZWBBTQBFLR-UHFFFAOYSA-N 449.508 0.817 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 763439430 OQVABXMBXCBBBE-UHFFFAOYSA-N 426.495 0.587 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 763569799 BVKAGFFOVSJUFI-SFHVURJKSA-N 449.423 0.218 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 763572046 LFFRDWCKNKTPGZ-SFHVURJKSA-N 436.428 0.810 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763712521 IYYSDVPJXNHYLU-UHFFFAOYSA-N 442.472 0.881 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1=O 763866200 UUNKPWIULJCUOZ-LBPRGKRZSA-N 448.407 0.104 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)nc1 763998141 MMWQEGLHHZMJHN-CYBMUJFWSA-N 432.458 0.703 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccn(-c2ncccc2F)n1 763998741 SOYYNTLQLMWJCE-UHFFFAOYSA-N 436.201 0.897 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)ccc1S(=O)(=O)N(C)C 764032848 CQPDWYFQUUJKDT-UHFFFAOYSA-N 440.503 0.336 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c2ccccc2O1 764117016 MKGLYOMEWAWNCZ-OAHLLOKOSA-N 432.820 0.347 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccn(Cc2ccccc2)c1=O 764165340 XDCFBBVVLIAXAY-IBGZPJMESA-N 432.436 0.986 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1I 764287324 ZFYKRMSBFPPVHO-UHFFFAOYSA-N 427.202 0.651 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCC(F)(F)C1 764376752 IXYLNUPGSSRHGK-CYBMUJFWSA-N 432.449 0.839 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276815 MXPCWEQQSPUNCH-GXTWGEPZSA-N 449.464 0.012 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2cn3c(n2)SCC3)c1 768523277 FHRUHBIVEYZDTQ-UHFFFAOYSA-N 438.535 0.426 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1 778294894 VPYMHNVXIFQGMR-CQSZACIVSA-N 426.539 0.704 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)CCc2ccco2)CC1 782116429 AREFBRVCFMADDZ-UHFFFAOYSA-N 441.488 0.662 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 784002009 IDZHQLGDDGFZSK-UHFFFAOYSA-N 439.222 0.567 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 784915447 CDYJRQXUEFNMFX-ZDUSSCGKSA-N 425.511 0.738 50 20 ICGD NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 786055023 HYVFBBXZHIVMKI-CJNGLKHVSA-N 446.847 0.301 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C(C#N)=C\C3CC3)CC2)cc1 786679735 CLNRIWBPBPQPRW-VBKFSLOCSA-N 433.486 0.931 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1OC 787541188 NKTUCYPWDCMIFV-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD CCC(=NNC(=O)C[C@@H](C(=O)NN=C(CC)c1cn[nH]c1)N1CCOCC1)c1cn[nH]c1 789020671 KTUJEFARBBVGES-SFHVURJKSA-N 443.512 0.385 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 792799281 YPDMAFXCBBHIMT-IFXJQAMLSA-N 435.502 0.421 50 20 ICGD Nc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 800234233 LMHUHBOTEZCRMZ-UHFFFAOYSA-N 440.865 0.205 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccnc(Br)c2)ccc1F 807011729 IBZOMCUZBLAPMC-UHFFFAOYSA-N 446.258 0.973 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 813812069 KUFOBYDIGMQHIE-ZFWWWQNUSA-N 448.459 0.954 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 815692129 JXALUYHXMMWUNN-GFCCVEGCSA-N 431.884 0.880 50 20 ICGD O=C(NNc1ncncc1F)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 815765663 YYLSHLGSKYCQPL-INIZCTEOSA-N 428.424 0.866 50 20 ICGD O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914665320 SERBYZFNZDPXTO-HNNXBMFYSA-N 428.405 0.748 50 20 ICGD CCCn1nc(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c2ccccc2c1=O 920366320 PNZROHGZFAYJIJ-UHFFFAOYSA-N 436.432 0.256 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)CSc2ccc(Cl)cc2)C(=O)NC1=S 920978965 YCUHFMYCYVLEDU-WQLSENKSSA-N 428.923 0.827 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197774 JOLIOZVEFZIIEJ-FZKQIMNGSA-N 439.310 0.881 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779332596 JKDTVYUMOLTQDK-DNVFCKCGSA-N 444.337 0.067 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371171 KNYYBYRZZFIBLX-NMZZKHSVSA-N 447.536 0.220 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371357 RQRPVWWPJDNZDF-CBGDNZLLSA-N 449.577 0.767 50 20 ICGD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780005099 JYQRXSQXJJTKFI-VGSWGCGISA-N 445.903 0.687 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780045210 LBOCATVRVZYHKM-IFXJQAMLSA-N 435.868 0.483 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1782864978 ZNLCQVRJZVSZKM-JSBFAPMUSA-N 444.438 0.980 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783345107 XPXDZNYXRXKTGW-YVEFUNNKSA-N 428.283 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1783933000 OFVOZUFLLAOCAZ-VGOFRKELSA-N 432.521 0.587 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)CC1 1785374995 JQSLBIGJUWSEHL-JXFKEZNVSA-N 445.944 0.939 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785690961 POSJFDIMKSDTEF-SFTDATJTSA-N 434.248 0.556 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21)[C@H](F)Cl 1787447725 FHPLOGRWTQQHAU-WRZDFSGXSA-N 428.873 0.884 50 20 ICGD COC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCC1 1788611174 MPLXGDKHBQDHLU-WBAXXEDZSA-N 445.520 0.238 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)c3ccco3)[C@H]2C1 1790619733 DULCGQVFSITFSO-KKUMJFAQSA-N 442.463 0.724 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)[C@H](O)CCl 1792975335 OCKFITRPSFPIES-CXHZTBPHSA-N 425.869 0.717 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Cl)c1 1794754957 OWMVMSABPGZBHI-FVCICTRLSA-N 444.879 0.251 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2)[C@H](F)Br 1799347340 NGCLLZXNHUPEHR-QCMRWSPLSA-N 442.245 0.329 50 20 ICGD Cc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010841 YOUGOPRQTCUVDQ-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@H]1c1cccnc1)[C@H](O)CCl 1803146411 ATTXXGWCOLXSGQ-GMBSWORKSA-N 433.896 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1805382825 IKHIEQGHWPUKHR-CYBMUJFWSA-N 443.342 0.800 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1805658670 JKTQJCKZXDBJLD-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371752 ZMSVPTXSAVEUGZ-VQIMIIECSA-N 449.276 0.273 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807706503 KLXGJTFHOZDARL-LXFSFDBISA-N 429.290 0.501 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncn1 1808511340 QIPBZEUCQHSZIB-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCC2(CCCN(C(=O)CCBr)C2)CC1 1809065921 ISEYWKVJLLVVNG-UHFFFAOYSA-N 440.275 0.727 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnoc2)[C@@H]1c1cccnc1 1810303608 SUSWDCZJYANTPI-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1813030597 JXYJLRKATYLLCA-LVQVYYBASA-N 425.917 0.788 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1813071194 PSUNCVLRJHZZAT-DYESRHJHSA-N 427.509 0.357 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1813073678 NTXYGVNSXSIPRX-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD C[C@@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800639 QRPVWWQFYFEYCG-GUBZILKMSA-N 446.371 0.679 50 20 ICGD O=C(Cc1cnccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335534 CZOWVSXPCUTURX-CQSZACIVSA-N 437.290 0.081 50 20 ICGD Cn1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339365 BCKPLONVBKVALH-AWEZNQCLSA-N 439.306 0.025 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1821129255 JZOSYQNVGJZOKQ-JTQLQIEISA-N 441.473 0.978 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)no1 1822410652 NNHFXFAXNVJRBC-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413948 JEPPFUSYHOUBMU-GXTWGEPZSA-N 436.517 0.222 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCCN3C)sc2C1 1822599400 KJQJKMOSVFAQBF-UKRRQHHQSA-N 436.582 0.912 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1825447265 UQIWHABVOCAROB-BDAKNGLRSA-N 428.316 0.915 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCBr)CC1 1826937059 PAOPCTOWVFXGTI-HUUCEWRRSA-N 431.375 0.984 50 20 ICGD CN(C)C(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925738 QPVBQZDJKQUTKL-QGZVFWFLSA-N 430.509 0.007 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1830534580 BWZZZYCJKRVBLT-KDOFPFPSSA-N 442.310 0.421 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728248 QQDSQKUPDJUNQK-OXQOHEQNSA-N 440.880 0.341 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831650859 LLFBKUBFHZVSMB-OXJNMPFZSA-N 438.912 0.884 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1832619398 OLANAPIAHDBSTJ-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123194 BHBSHCVANOPJRH-CRAIPNDOSA-N 441.326 0.649 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)CC1)[C@H](O)CCl 1833312321 PYBHGDPIEXUWGP-GOSISDBHSA-N 434.928 0.743 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826396 OHTDKTIUOVBHTE-SFHVURJKSA-N 442.310 0.449 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835808502 YYVQIIVWLHNNJJ-PXAZEXFGSA-N 432.930 0.358 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1)n1cnnn1 1836414345 FXJMCPQNLLOXTH-SMDDNHRTSA-N 446.325 0.496 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837689222 RHTRCQKDYINFNJ-TWOQFEAHSA-N 425.913 0.883 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838048450 XMSGJVOOCUZHQO-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839200807 QHJGFJJWANSHGP-YOEHRIQHSA-N 448.289 0.922 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cccn1 1839203873 ZAZHTKIYEDPQDN-WWGRRREGSA-N 433.278 0.591 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839653679 XPBZPLBGCAOFJY-KDOFPFPSSA-N 434.990 0.334 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839966167 WMLIXVLNQJUIPE-GUYCJALGSA-N 446.298 0.410 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839980957 VBUNFMACQYEADA-HNAYVOBHSA-N 432.851 0.563 50 20 ICGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cnn2c1 1840188303 BHLCWSNOWBVLPN-GOSISDBHSA-N 442.303 0.911 50 20 ICGD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2)C(=O)O 1842951993 RANLMEXBJCKLAP-HNNXBMFYSA-N 448.432 0.400 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010373 IZJCVCIWCIUZMN-KRWDZBQOSA-N 443.309 0.193 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011795 UDWSJPIVMWCQEG-UHFFFAOYSA-N 447.260 0.251 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc3ncnn3c1)C2 1843416141 FHMJHEWNKDENGJ-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2)NC(=O)NCc1ccccc1 1845039444 PNDGSKVIZGRGIJ-RUYXUALKSA-N 441.532 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412581 OVYJVVCZVRFZCY-VBKZILBWSA-N 445.944 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847501613 FEFIYIXINFZWHH-AGIUHOORSA-N 441.282 0.989 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OC 10913022 VZESXIYPYFVMME-UHFFFAOYSA-N 440.412 0.487 50 20 ICGD COCCOc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 23144121 MAXNEVSSAHZOMQ-UHFFFAOYSA-N 442.519 0.628 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCC(N)=O 29634719 FEXXIXNQUCEKAN-UHFFFAOYSA-N 433.417 0.660 50 20 ICGD CCCC(=O)Nc1ccc(O)c(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 730571797 UCZYTJYONAOGRT-UHFFFAOYSA-N 448.505 0.556 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 731848491 FYTKIZNGIPZPNR-AWEZNQCLSA-N 441.510 0.483 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(c2ccccc2F)C1=O 732824025 FYPOHSXIOMNGKX-MRXNPFEDSA-N 441.467 0.968 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc(OC)c1OC 734806485 CGMOXESWVZKUGW-UHFFFAOYSA-N 435.458 0.622 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(C(C)(C)C)nn2C)CC1 735117048 MMEIADOYBIEKMB-UHFFFAOYSA-N 435.554 0.806 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 744385694 MZABPBVRCXEQQW-UHFFFAOYSA-N 447.542 0.824 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744550770 BKLIEKFGADBVCR-YEJXKQKISA-N 441.444 0.363 50 20 ICGD CN(C)C(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 744621693 YRSKZUVTBWHPOI-UHFFFAOYSA-N 439.538 0.544 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)cc1 744893511 MPZTXPHVMMEFRN-UHFFFAOYSA-N 438.368 0.102 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 746098007 DVTHPNZMSKVFIV-XPXIOPGQSA-N 445.472 0.796 50 20 ICGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 747597468 XXIPLMBPTBHDNX-UHFFFAOYSA-N 432.418 0.081 50 20 ICGD O=C(NNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 751363414 VOXHJROACJYNHK-RHSMWYFYSA-N 448.467 0.959 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)/C=C/SC)c(=O)n2Cc1ccccc1 751458465 LQFTVXDHXXEPDT-MDZDMXLPSA-N 442.501 0.452 50 20 ICGD CC[C@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(=O)N1CCOCC1 753056925 JMIGEPNIEOOKKX-INIZCTEOSA-N 444.492 0.559 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)N(C)c2ccccc21 756452789 PWASDCXPIWTQAQ-UHFFFAOYSA-N 444.473 0.132 50 20 ICGD Cn1cc(Br)cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1=O 757601538 ZWSKBVITWBBBHC-UHFFFAOYSA-N 433.226 0.590 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1F 760439243 IFDOVLCRWMMJEV-UHFFFAOYSA-N 432.474 0.556 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)CCN1 763783449 OODZFRMSKIHWFF-UHFFFAOYSA-N 427.486 0.573 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C1 764204897 VICWUACWTJYOQH-OKILXGFUSA-N 439.538 0.001 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764350971 NJFCXHTWCMMXFE-UHFFFAOYSA-N 449.471 0.772 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cn(CC(C)C)cn3)CC2)cc1 765126621 LDFMITJVOXLDRB-UHFFFAOYSA-N 448.593 0.975 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n[nH]2)cc1C 765560153 QCLRTIUHKWSITA-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD CO[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 771417001 WGBBLQJEYDLZRF-SFHVURJKSA-N 426.539 0.120 50 20 ICGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 776258676 XXDLBWIBMMPPMM-UHFFFAOYSA-N 439.519 0.971 50 20 ICGD O=C(NNc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 777474668 QXSJDWHSEPHICF-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 790697888 TXBXGGGLZCRZJX-HNNXBMFYSA-N 429.502 0.918 50 20 ICGD COCCOc1cncc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 801477284 OURLZPJEDKXHNH-QGZVFWFLSA-N 431.401 0.251 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cncc(-n3ccnn3)c2)cc1OC 801887286 NNNRIYSEWBSZPO-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 806975785 OSDALGFKPFUBPF-UHFFFAOYSA-N 437.456 0.954 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 815778916 JZMVABCZUUSGRC-CYBMUJFWSA-N 430.870 0.145 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCS(=O)(=O)C1 821135174 MGQZPLCHZCQEHM-LURJTMIESA-N 432.263 0.646 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1ccc(S(N)(=O)=O)s1 915906055 FTGNIXHOLQJNPZ-UHFFFAOYSA-N 428.492 0.704 50 20 ICGD O=C1Nc2cc(N3CCOCC3)ccc2C1=NNC(=O)c1csc(N2CCOCC2)n1 915953624 PKKGQUCURGOFCD-UHFFFAOYSA-N 442.501 0.903 50 20 ICGD COc1cc(OC)cc([C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2nccn2C)c1 916229105 LZTGHKKPJKEPBD-VQIMIIECSA-N 437.522 0.908 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 916744426 SHFNKOKBACPKIO-MRXNPFEDSA-N 443.437 0.595 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 917393782 WEEUGKHENRUPHI-INIZCTEOSA-N 436.534 0.881 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N[C@@H]1CCS(=O)(=O)C1 919883363 CKPQAPAZAKGNPB-QWHCGFSZSA-N 428.898 0.206 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 919901770 HQRNPAZWDQKPPK-UHFFFAOYSA-N 441.536 0.961 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(OC)cc2)c1 1318668926 VOMPESKCVIZTBT-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD O=C(c1nc2ncccn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777831063 ZIZWXBHJEQNECK-MEBBXXQBSA-N 427.234 0.258 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029835 AFCJMPFWWNHIBZ-LJQANCHMSA-N 430.490 0.207 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780773223 HDQRWZKIYRQFMY-DSZLRUIBSA-N 437.310 0.638 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997896 NHPLKVXXGHIQTB-PBFPGSCMSA-N 449.415 0.768 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782074301 UVPKDHOEHQBLIO-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD Cc1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782211882 DHBZBMUXOYFIKJ-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@@H](O)CCl 1784089767 IFRITYXKPJLESW-FPXQBCRKSA-N 438.908 0.927 50 20 ICGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1cccc(Cl)c1 1784090071 PUAOPVUWARSQJS-JVNPIMRCSA-N 430.332 0.919 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784220503 FXEMTUDGKZPOKY-IHPCNDPISA-N 447.580 0.917 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCc3ccncc3)[C@H]2C1 1785355304 USWFZQVKBBCIPP-UFYCRDLUSA-N 445.564 0.757 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406467 ULDGYWJDDPZAJZ-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986637 SPYYPYNOLHMFCQ-QZUCXDRTSA-N 448.328 0.763 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)n1 1791057787 PLXQNJJRZJRRDQ-HOSILWTGSA-N 443.342 0.906 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1792779889 OVWIIGXQRZEZDU-ULYCIKHUSA-N 441.887 0.290 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)C1 1792964234 RDLKQVQAQKCVAE-AQDIXCGQSA-N 431.327 0.950 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366295 QQWFKQPXRZHWGY-NOXHYTERSA-N 428.844 0.573 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)cn1 1796538037 NJOLPIKFTXTUPG-QKPAOTATSA-N 429.926 0.478 50 20 ICGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1798316576 DWNNLUNFIWRYPD-NYXISSTPSA-N 426.521 0.277 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1799264344 KHEDYLPTEBTUFS-VOZNZKSSSA-N 438.912 0.600 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)F)c1)C2 1801009605 RGLSRWSJKNRDLN-ZSBFGKGUSA-N 439.463 0.595 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncnc2)[C@@H]1c1cccnc1 1805790602 AYPRNFHBVWDNLF-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369353 HLCQZNRXUKFNPI-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371396 UDCQWSAHJGGWKC-DYESRHJHSA-N 448.288 0.945 50 20 ICGD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807373306 AYIOOWYAPSLGNF-UGKGYDQZSA-N 447.304 0.057 50 20 ICGD Cc1noc(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n1 1810094514 CWVGEYDBCANKLJ-UHFFFAOYSA-N 441.492 0.464 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1811497476 RXSBPROXAFSTQL-UZLBHIALSA-N 427.509 0.806 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C(F)(F)Cl)[C@@H]1c1cccnc1 1813212293 UVWMABDZMBNWOP-ZBFHGGJFSA-N 437.639 0.913 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813598989 BIWQJDUSDDZVMO-AVRDEDQJSA-N 432.569 0.801 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1(O)CCC1 1815335848 UBNOTHBOTHCYEW-DOMZBBRYSA-N 443.334 0.600 50 20 ICGD COC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339889 SDKPLEIJGBYFNH-CYBMUJFWSA-N 431.279 0.002 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3COC[C@H]32)n[nH]1 1823058220 FAAYSMWJBULTHG-KKBFJZEXSA-N 439.476 0.607 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825079345 YDOWNVIYZLNRLU-RRFJBIMHSA-N 428.917 0.458 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825928363 KYRXCUKLTBBLFN-NHYWBVRUSA-N 429.307 0.664 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830543486 SRKJIBIFIZWKIS-SCLBCKFNSA-N 439.310 0.987 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc(F)c1F 1830738873 WJYNLVVQCXUHCB-HNAYVOBHSA-N 432.851 0.943 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)n1ccccc1=O 1833312633 TWILGDAYGCSQMG-YJBOKZPZSA-N 438.956 0.581 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833677600 MXSCFCUQJJYCSP-SGTLLEGYSA-N 430.864 0.096 50 20 ICGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)on1 1833735156 DHMRDCXSAQGPGU-UHFFFAOYSA-N 448.568 0.470 50 20 ICGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834520957 PJHAWVJWSQVFDT-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834734398 VQCZFDDBHSUKRE-IAGOWNOFSA-N 429.993 0.558 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3=COCCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798912 HPWKXPKZOYFZGD-UHFFFAOYSA-N 441.337 0.246 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835766202 XHMYPCMBUOCXAC-CPQSRKOASA-N 444.960 0.687 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836621962 OOUSGZCJLZYRQJ-UHFFFAOYSA-N 442.944 0.802 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836623636 ZIBYZLPATQKAKQ-MRXNPFEDSA-N 430.977 0.843 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709027 SSGSGCKEVQTJBB-XLIONFOSSA-N 427.618 0.779 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838479724 BGPSBLUQVAFBFT-AUUYWEPGSA-N 441.868 0.134 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150952 CVNPAZOVCBHGDV-JDTHPWDHSA-N 437.320 0.798 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151869 GNPKDFZBFSRXFL-JCURWCKSSA-N 439.340 0.126 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493479 MJBGEMUIHVSUFO-VLIAUNLRSA-N 436.896 0.887 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839648421 KWNIKJZTGSCKBL-GGAOBQQXSA-N 432.315 0.266 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186471 IWLMWCXLQGBGMQ-HNNXBMFYSA-N 429.322 0.153 50 20 ICGD Cn1ncc2cc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)ccc21 1843796993 JAWZOBKLHSMXON-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)N1CSCSC1 1846384983 HUCOARBEISEDRO-AWEZNQCLSA-N 429.612 0.606 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cnc2c(C)cccc2c1=O 16203019 WUEIFRVXYJAEPA-UHFFFAOYSA-N 442.501 0.768 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc2c1OCCO2 16594086 NHFLPAVJWFLTNJ-UHFFFAOYSA-N 435.458 0.792 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 728018336 LDSXTFCDHGXPEN-UHFFFAOYSA-N 425.916 0.353 50 20 ICGD COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2 728399242 LYDPKYICPFETAO-ZDUSSCGKSA-N 433.490 0.936 50 20 ICGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cc(F)ccc2Br)C1 728746408 LNLSCQTUUSOGLI-JTQLQIEISA-N 437.291 0.956 50 20 ICGD O=C(CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NCCc1ccccc1 728961180 BELPWOOVFZWGMJ-UHFFFAOYSA-N 425.493 0.382 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1=O 729627402 JNMTYABLRIJEKU-DGCLKSJQSA-N 426.315 0.871 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cn1 729693138 KSWFZIANVCWLSE-UHFFFAOYSA-N 425.492 0.904 50 20 ICGD O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 732975179 CSMNAXWBNINXPC-YPMHNXCESA-N 439.881 0.869 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745832392 OUMQAOBCGPALKU-AWEZNQCLSA-N 443.464 0.850 50 20 ICGD COc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 746627176 HCDKYYUNCZYKHJ-UHFFFAOYSA-N 437.478 0.767 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)Cc1cn2ccccc2n1 746636489 BLBMIRDSZCMGLB-UHFFFAOYSA-N 440.485 0.543 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)cc1 748246423 KAHZVUCQCZJSPQ-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 748689633 POMQSGLJCLPPPK-UHFFFAOYSA-N 433.490 0.617 50 20 ICGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(Br)s1 750268354 QREADJXKVKUPMQ-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD CN(C[C@H](O)CN1CCOCC1)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 751429866 HCWAAILJADVCSU-KRWDZBQOSA-N 441.532 0.809 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)c1csc(N2CCOCC2)n1 753800604 WWCHMGUHKBNLLN-KBPBESRZSA-N 443.551 0.376 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C 755394154 SKBSUBJXCQLCQG-ZDUSSCGKSA-N 446.551 0.613 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756071770 GZKKANSOCCRIBP-UAHGDZPKSA-N 441.510 0.704 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 756785425 UMMHVSIFFPLNOO-UHFFFAOYSA-N 447.473 0.715 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cn1cnc3ccccc31)C2=O 756862337 ASPFAAUGRALJDR-GFENJXEQSA-N 426.477 0.930 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1=O 757864517 ZQERUJZJEJPRIY-UHFFFAOYSA-N 427.377 0.711 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)n1 762014370 HVJRFBZSGOODML-UHFFFAOYSA-N 431.478 0.372 50 20 ICGD COc1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1S(=O)(=O)NC1CC1 762856463 QHIIRAZNLNVZQR-UHFFFAOYSA-N 448.505 0.519 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763570802 IBSYEWOALUBDGQ-MRXNPFEDSA-N 429.385 0.408 50 20 ICGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763579584 ZTPHTXOSECMRFG-GOSISDBHSA-N 429.429 0.946 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C 763657530 OOPDNCMLUWEWCC-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 763668128 JEOYNBNXYNCOKN-UHFFFAOYSA-N 434.474 0.424 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763678677 HKWHTTHTBBHKOV-UHFFFAOYSA-N 439.403 0.955 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763733797 HLFFUTIQNUFLHK-UHFFFAOYSA-N 425.445 0.089 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 763753035 CWLQBLCWAKEMLP-UHFFFAOYSA-N 445.501 0.692 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 763808518 XLZVLKHDGVUDSD-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763874097 ZOQYRERDOTUVBA-GXTWGEPZSA-N 428.420 0.983 50 20 ICGD O=C(NNC(=O)c1cccc2ccccc12)C(=O)Nc1ccn(CCN2CCOCC2)n1 764057806 JEDQHAFNARAFPG-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc2)CC1 764112605 MJCZWWPTZLYQBU-UHFFFAOYSA-N 445.398 0.020 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C1 764423969 DXVJLBCJBRWQMP-VBQJREDUSA-N 432.477 0.306 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 764430258 UNNNAUFNXDPYFP-KRWDZBQOSA-N 427.413 0.545 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 764433888 OQUCFQZSCBJIPC-CQSZACIVSA-N 436.808 0.687 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1 764546378 DQJBZDJLWRMKGO-UHFFFAOYSA-N 441.488 0.989 50 20 ICGD CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 764812771 RZIWADAEAWTXPT-UHFFFAOYSA-N 429.456 0.569 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OC[C@H]3CCCO3)cc2)n(C)c1=O 764818295 RBTDQXNAEYKXAD-MRXNPFEDSA-N 440.460 0.142 50 20 ICGD Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636157 KUFVFNQILPJMMS-UHFFFAOYSA-N 438.444 0.456 50 20 ICGD C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 770397110 MRYPKZAKHPGTAP-CQSZACIVSA-N 425.497 0.906 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1cnc2ccccc2n1 773722875 NULFERBFANJZEY-UHFFFAOYSA-N 440.485 0.913 50 20 ICGD O=C(NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 776752648 IUXOSNVQUVVYEX-KSSFIOAISA-N 427.454 0.319 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(OC)c1 785488998 PTLCKOVXVFJFLU-UHFFFAOYSA-N 449.489 0.498 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc(Cl)cc1C(N)=O 793022879 DOKYQGPHWVSJAP-UHFFFAOYSA-N 438.799 0.752 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)ccc21 799258664 FMPBHEWSGWJWSD-UHFFFAOYSA-N 434.412 0.627 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Br)cc2)cn1C 801999293 AGYBVYVBVCTXOW-UHFFFAOYSA-N 445.299 0.622 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 807370206 WRTNXIXBAQKSER-HXUWFJFHSA-N 432.477 0.922 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810793343 WLIWJYCESRAZHM-UHFFFAOYSA-N 434.499 0.785 50 20 ICGD Cn1cc(Br)c(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1 814599901 QSVNEOWUGYRSGH-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD O=C(NNc1nc[nH]n1)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 816633422 BIVBISNPMNLNEW-VIFPVBQESA-N 445.299 0.781 50 20 ICGD CC(C)CN1CCO[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 915923013 TUIIUIKYKOWUDE-NRFANRHFSA-N 446.596 0.886 50 20 ICGD Cc1csc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 916233284 VZUKUERWAOQGLJ-UHFFFAOYSA-N 425.540 0.609 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 918222193 SQILFNTYLHOUTC-UHFFFAOYSA-N 438.444 0.961 50 20 ICGD O=C(NNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 919886047 PJFUEHQGQCQIGX-MRVPVSSYSA-N 440.356 0.667 50 20 ICGD Cc1c(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)n2c([nH]c3ccccc32)c1C#N 920385128 VRUGSCLHHRSFPX-GFCCVEGCSA-N 426.458 0.781 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 1317693722 RHVSRJWWTXSHNO-UHFFFAOYSA-N 425.850 0.623 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 1317959607 ZAWXSAFPEQXANL-VIFPVBQESA-N 432.384 0.417 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1)[C@@H]1SC(=N)NC1=O 1778025455 AJYPPXWPSVWCLK-APLJZOTDSA-N 434.921 0.837 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1779545345 FCAKNTQQNZXSDW-YVWKXTFCSA-N 443.617 0.002 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781232648 MWAQFIDFEZXOAK-HZPDHXFCSA-N 425.382 0.537 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326739 RZFAZPPWKUNTKK-WFASDCNBSA-N 435.225 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@]2(F)Cl)C1 1782296062 QOBSVFDAYNSQEI-WTVLQJKYSA-N 432.924 0.798 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Br)CC)CCO2 1782646461 UKKUVBZYBMVDHJ-WBMJQRKESA-N 435.388 0.474 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782955208 YCOGHDAKBDOAKM-DVOMOZLQSA-N 437.356 0.425 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)c(=O)[nH]c1C 1783531635 AFDIRWHZDKQPRJ-DYZYQPBXSA-N 427.299 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1783934279 CEVLUYGQHIZFNZ-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980993 JFENKAIOTKXFLQ-ZVZYQTTQSA-N 443.334 0.292 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1787508734 JZAIXBOJZVHXGV-RNGGJZMBSA-N 439.476 0.204 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1789872958 MGRMXGWXWQHFGP-NUTGUDPMSA-N 439.336 0.818 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1791057882 RPHXFHKCGCLHLZ-SIGLWIIPSA-N 445.383 0.776 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4[nH]ccc34)C[C@@H]21 1791289405 XNHZGGGAYVIAGG-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)Cn3ccncc3=O)CCC2)cc1 1791602373 AYOIXLPUUPXOHD-UHFFFAOYSA-N 440.504 0.750 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793365477 YUOWKXPOSRAJQK-NWJSVONSSA-N 437.356 0.656 50 20 ICGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N(CC)CC 1793461631 HNSUAHFTDNMCED-AXVVYFOYSA-N 425.574 0.069 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600726 GSISLHKJMOZTFW-CLLJXQQHSA-N 426.433 0.057 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 1796790758 ORDJLSIEMRRKNW-VPTLXERWSA-N 446.504 0.034 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1797143257 NVLKPBCTASYFAS-LXTVHRRPSA-N 431.917 0.043 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799875414 REYOYVPTSPHADS-ANGCBRKESA-N 437.840 0.274 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1800974959 BMSUGMYKWGZYFS-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801286527 IAHYWTVMVKACHF-IMPMIVQMSA-N 425.917 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cncnc2)[C@H]1c1cccnc1 1804654393 QJKUKVPGZUETIV-PGRDOPGGSA-N 439.520 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359896 MRWGRNJKZBRBDS-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2(F)CCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367811 MORJCONRXLPOKK-MJGOQNOKSA-N 425.269 0.973 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807768952 QJMIKONGPWBJGW-UTKZUKDTSA-N 447.304 0.680 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@H]2F)[C@@H]1c1cccnc1 1807829884 UCTPSMFEZQICMQ-PLYYQAHHSA-N 426.452 0.758 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1810828956 FSLVAUHGBQGULE-IIBYNOLFSA-N 443.504 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1c1cccnc1 1813071958 ZXHCNTHJVBJWNP-UZLBHIALSA-N 427.509 0.508 50 20 ICGD Cc1nccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471951 ZJBYQGUFINERSY-SFHVURJKSA-N 434.265 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820026516 NFIGQGPKHYRBKB-JQWIXIFHSA-N 435.872 0.858 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826088103 AQMVFMSOXJLWRC-KGLIPLIRSA-N 436.582 0.770 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1830719925 PBTGIXFAYMCZFQ-PXNSSMCTSA-N 438.908 0.480 50 20 ICGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726911 WCSXPENVKPQCPM-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939786 HVHPWASHNMILCM-JPYJTQIMSA-N 446.353 0.653 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1CC=CCC1 1836387515 ZRFBJPCEPJJTCR-SFHVURJKSA-N 439.365 0.908 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717707 HHMTXGWFXBRQFK-RBUKOAKNSA-N 438.956 0.550 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836988698 JHPZWPRQWZFSRI-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837094033 GTYPMRPZXRZRNA-FQEVSTJZSA-N 436.585 0.751 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1837920324 MPPCSNVTFBDRQJ-HXUWFJFHSA-N 430.310 0.158 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198121 URGMQEYPSKOOCR-GOEBONIOSA-N 433.278 0.338 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839966307 AJLAUDOZGSUFEQ-QAPCUYQASA-N 443.342 0.821 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840032256 SPGAQZKLXKLKKJ-YVEFUNNKSA-N 429.315 0.826 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1840151053 VBHSVFCPNVIIES-KDOFPFPSSA-N 446.957 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1840151513 FHXRNWUWWNCRGJ-FXAWDEMLSA-N 443.903 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1840152766 SKIBCCWOWOCLMI-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840227004 AWNBUKNGSCRCDA-GLJUWKHASA-N 446.342 0.000 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840348417 OUBYZNFIOGMPPG-YLJYHZDGSA-N 442.944 0.600 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839638 XYJZEYXPVNSIBP-KWDXZQLTSA-N 433.299 0.647 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)C1 1841343307 HZMNJTDQFMWVJN-JBMOEGQDSA-N 443.504 0.913 50 20 ICGD Cn1cnc(C(=O)N2CCCC23CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C3)n1 1842353355 OXGWODCZJFXPOH-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)CCBr)C1 1842637219 PNSXHDXIEPOQCH-LBPRGKRZSA-N 434.331 0.860 50 20 ICGD O=C(c1cn2c(Cl)cccc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014118 ZKMJUBRHDXCXHL-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843417140 AUFGHODFXWJRIG-PTZPRWATSA-N 430.509 0.629 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844465714 NGEBXUZTPKOIEJ-SECBINFHSA-N 438.653 0.431 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1846476625 OHVVJAGCGIDCBA-UHFFFAOYSA-N 430.505 0.592 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 15995481 RNAGXNKMVYBATL-UHFFFAOYSA-N 442.476 0.092 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21 18021924 NGOVRSNTVIWPHV-UHFFFAOYSA-N 430.442 0.072 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3cn4ccccc4n3)cc2)CC1 728215397 ZGGVXMFDBPRMFQ-UHFFFAOYSA-N 428.518 0.956 50 20 ICGD O=C(NNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)c1cnn[nH]1 732074803 VQWRXOYSWITFKF-UHFFFAOYSA-N 426.886 0.901 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1 733792626 RLNVWNOAVGUJQE-UHFFFAOYSA-N 425.239 0.555 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240680 WOUIZEHWVWCAKN-CABCVRRESA-N 440.545 0.174 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3c(C)nc4ccccn34)ccc21 735650025 RFCMWLMZAVYSOT-UHFFFAOYSA-N 434.456 0.743 50 20 ICGD CC(C)(C)C(=O)Nc1nccnc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 742478381 NKHPSSOPIZDHAN-UHFFFAOYSA-N 433.494 0.829 50 20 ICGD O=C(CNC(=O)c1cc2ccccc2[nH]1)NNC(=O)c1csc(N2CCOCC2)n1 742479254 ZEGFXWGEZOSFTG-UHFFFAOYSA-N 428.474 0.652 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745449888 XNWUCGRRPSALGI-CEMKBHKYSA-N 449.847 0.195 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(Cl)cc1F 747587024 RVWKNLOEWIBCEA-UHFFFAOYSA-N 449.874 0.952 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Br)c[nH]1 748211343 IYMNVEIDVCMFIS-UHFFFAOYSA-N 439.226 0.946 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cc(Br)c[nH]2)C1=O 752001050 YEQOCJYSAIJVLQ-VXJOIVPMSA-N 427.259 0.442 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 756474240 ABAYLSXPRBJLSV-GFCCVEGCSA-N 435.462 0.636 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(Cl)c1I 758033983 DHMPPJALDREUME-RXMQYKEDSA-N 446.654 0.038 50 20 ICGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 763148346 KWSGYQFCTSQVLI-UHFFFAOYSA-N 439.494 0.574 50 20 ICGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530817 IGUIRBGVWGNDGZ-UHFFFAOYSA-N 427.509 0.762 50 20 ICGD COc1ncccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763531931 UGBBZFRKWJGTQG-UHFFFAOYSA-N 426.477 0.388 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1NC(C)=O 763569743 BDPFZOLDGPUVTA-QGZVFWFLSA-N 428.401 0.580 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)n1 763694376 GJJGATUOBUOPLA-UHFFFAOYSA-N 436.222 0.108 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 763775531 VLDDSIMMKRSRRM-UHFFFAOYSA-N 428.445 0.734 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cn1 764164526 RIAYCYZYMOXZAR-OAHLLOKOSA-N 429.433 0.271 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2s1 764228241 WJYZHJQVKCHGCR-SSDOTTSWSA-N 431.521 0.042 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c2ccccc2O1 764235073 PZGQEYVHKPAOCH-SFHVURJKSA-N 435.440 0.640 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 764299142 CXBKNXCLCFKYRA-UHFFFAOYSA-N 439.516 0.784 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCC(F)(F)C1 764376754 IXYLNUPGSSRHGK-ZDUSSCGKSA-N 432.449 0.839 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 764399140 ZZUSVULLEWLZMS-VIFPVBQESA-N 427.364 0.812 50 20 ICGD Cc1c(F)cccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117471 FNWOYBQUMNQKIH-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765118570 LZBGEZVPJYCTHH-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD Cc1sc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 767437443 HCSABJSRPBXEDK-UHFFFAOYSA-N 448.504 0.838 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 770247252 NWDWTMPLDBMPJB-ZDUSSCGKSA-N 447.564 0.606 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cn3ncn(C)c3=O)cc2)n1 770550456 SZVSRSSKFITWMT-UHFFFAOYSA-N 427.490 0.742 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772884904 RIMXYBKAZIWMNB-UHFFFAOYSA-N 427.841 0.960 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 775403904 LSONNAGAMKYXRN-MRXNPFEDSA-N 434.426 0.234 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 776246196 PQRLYNBKRCXVTM-UHFFFAOYSA-N 438.485 0.710 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 776873465 PZUXMJGGADZUNJ-FQEVSTJZSA-N 432.408 0.908 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1C 778423718 FTXLSGQGDABVMT-INIZCTEOSA-N 434.497 0.118 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)cc1 778438457 SXYSSVZJEXFIOI-HXUWFJFHSA-N 449.464 0.134 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 780174125 VEDLFMRRAYSLKO-LLVKDONJSA-N 432.886 0.758 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c(Cl)n1 783263852 LVDMRQICJWQFRF-UHFFFAOYSA-N 442.885 0.907 50 20 ICGD CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cccc21 789756371 CLBYRHRHBYVHCX-AWEZNQCLSA-N 429.433 0.181 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)Cc2cc(O)nc(O)n2)C1 794517010 YTGVUQPMPOPCCD-LBPRGKRZSA-N 436.469 0.296 50 20 ICGD N#CCc1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 794576847 OSUBCLYATHHUJI-UHFFFAOYSA-N 428.879 0.677 50 20 ICGD CC[C@](C)(OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 794861616 JXNNXQBFRKZYKA-IBGZPJMESA-N 427.523 0.603 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1O 799257595 NAZFWQNZBMRHNT-QGZVFWFLSA-N 426.429 0.710 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2cc([N+](=O)[O-])ccc2Br)cn1C 800620027 ZFAOLRJORCNTIP-UHFFFAOYSA-N 447.271 0.821 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1 802023596 XVIWHMSSUCMFRV-MRXNPFEDSA-N 449.489 0.386 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc2nccnc2c1Br 806675070 KZBSKZFABPVESF-QMMMGPOBSA-N 428.268 0.980 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)sn1 807005144 AYGBKCFCOQKWDH-UHFFFAOYSA-N 438.535 0.469 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cn1C 808065767 JSQJSDDMOVNXIC-UHFFFAOYSA-N 430.442 0.942 50 20 ICGD CC(C)(C)n1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 812449934 UIFXUTRXNHZHRI-UHFFFAOYSA-N 436.494 0.129 50 20 ICGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)COc1ccc(Br)cc1 816810415 LGVHOWIKZDBGJU-UHFFFAOYSA-N 443.279 0.791 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[C@H]1CCS(=O)(=O)C1 914717474 MFXRUZSTEPZVGO-VBKZILBWSA-N 434.518 0.478 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F 915185210 WOYJDLOPTONWHN-UHFFFAOYSA-N 437.858 0.758 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1 915794982 DYRSCZUFHNSQSM-UHFFFAOYSA-N 435.362 0.884 50 20 ICGD CC(=NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1cccc(S(N)(=O)=O)c1 915945606 WTCDMDYODZSVNG-UHFFFAOYSA-N 438.531 0.803 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)NC3CC3)CC2=O)cc1 920766769 POZRVHJXZQMESS-CYBMUJFWSA-N 437.522 0.563 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)c2ccccc2c1=O 1318725021 CYFMFKPZBJIDOF-CQSZACIVSA-N 428.493 0.378 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccncc1 1321718528 GSYAEFMXADICER-HNNXBMFYSA-N 438.893 0.729 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1C 1780781752 YGJKECXAVRTRSW-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc2c[nH]nc12 1782256438 DCGJCFRSGJMURJ-HSZRJFAPSA-N 448.288 0.308 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)C1 1783875521 NLAODHJMCBLFHR-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945266 FUXGAQIHKRPIMA-GTNSWQLSSA-N 440.324 0.506 50 20 ICGD Cc1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1784686700 OIJFTYVNDHLSNK-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789801480 LCUQWTGVWCXPRN-WOYTXXSLSA-N 445.402 0.385 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1)N1CCN(C)CC1 1789872855 YLAUORQOWUYSAD-ZPFYTHJMSA-N 449.423 0.838 50 20 ICGD O=C(/C=C/C1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789896101 YODGODYFRGDGGV-KKNJHFSWSA-N 426.322 0.706 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C[C@@H]21 1791290838 ACJYEHFYYGVQQC-ZOBUZTSGSA-N 448.568 0.674 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(C)c1 1792095507 UUJHSIMOLQIHQW-DKIMLUQUSA-N 438.908 0.975 50 20 ICGD O=C(CCc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794182262 NWPPDEUZXUHCKJ-CWPLJXCYSA-N 428.319 0.264 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc(F)c1[N+](=O)[O-] 1796189460 PMOBCBYEEJXCRY-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)[C@@H]1SC(=N)NC1=O 1796429051 XCPXFFZUHAAFMW-AMVBZWJASA-N 442.614 0.230 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C1\C(=O)Nc2ccccc21 1797661092 ZJAMLKCYBMWQGQ-ZXYDCGBESA-N 433.892 0.866 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1799268155 QAYUIMYQQFTWJW-FZKCQIBNSA-N 435.974 0.265 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805526067 MQJXDNAECPCURL-HNNXBMFYSA-N 440.884 0.587 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1806935682 QYGOUVQLSNAERM-UHFFFAOYSA-N 449.512 0.396 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807371249 RRQNBOPGUWMILY-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n[nH]1 1811469649 HFCSLWATYZPXIZ-BEFAXECRSA-N 448.487 0.745 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067901 HHUGADLRLMPFDR-HGHGUNKESA-N 429.521 0.499 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1813331087 UPMHLSVPVRUNAO-GCJKJVERSA-N 448.288 0.620 50 20 ICGD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813634310 HLLKELPOEDFGQA-NQIIRXRSSA-N 437.305 0.386 50 20 ICGD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815740672 FIMMAUPXSMHTFW-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1821122592 PBLMHACEUKHDHP-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CO)o1)CC2 1826088056 QETCGIUOJBNTTO-NSHDSACASA-N 435.506 0.827 50 20 ICGD O=C(c1cnsn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049990 CLWCVENLHVWKHC-GOSISDBHSA-N 428.323 0.765 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830233661 CREICYZKTOQXFE-YLJYHZDGSA-N 442.896 0.130 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c1=O 1830353415 BWRGWDDRTLFPEG-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1830546625 TWYBRJGHTYSHOU-KSSFIOAISA-N 443.342 0.450 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724956 KHCSNHHJIFGDDZ-AUUYWEPGSA-N 428.938 0.907 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831668360 FEJAWFNQBMWOJP-LSPPGFKNSA-N 441.488 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccccc2=O)CC1 1831871275 OHTMENNHAKFWJU-LJQANCHMSA-N 445.564 0.841 50 20 ICGD CC(C)c1nc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)no1 1833307932 DZEJJIBNKWFJPI-INIZCTEOSA-N 441.960 0.907 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)Cc3ccccc3)CC2)CC1)[C@H](O)CCl 1833312515 WVURJEQKAHUQPR-WOJBJXKFSA-N 437.968 0.761 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1 1833313198 ZIAMVZKKWQVBRT-CRAIPNDOSA-N 425.961 0.924 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1834081505 QXWOBMLXASTVDK-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626716 IANJYHXXBURRRE-CQSZACIVSA-N 443.386 0.964 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704923 ONVVRRSZQVYQIZ-CYBMUJFWSA-N 443.390 0.181 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835058335 NDZFKJOPDFPXEQ-HOTGVXAUSA-N 431.965 0.259 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835118344 RWHGTIUAWGDVGZ-WGOQTCKBSA-N 441.536 0.996 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835836634 SRCPJYJQYYOWRN-ZWOKBUDYSA-N 440.928 0.182 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836365837 PQHUHMWDQBYSIK-QMHKHESXSA-N 427.354 0.598 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717104 IGSGZKYQDIJUAU-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD O=C(CCCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837617392 JDJLMCLJMOPQOV-FXAWDEMLSA-N 427.929 0.715 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805079 GTPCVCSTFPPYJX-DLBZAZTESA-N 436.292 0.473 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838993852 SWVYSCUXDOTWIA-APWZRJJASA-N 432.851 0.563 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032250 SKBLOLULNDKDRL-MGPLVRAMSA-N 431.287 0.419 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1841300694 QBXUHWVJWOXZGD-WDEREUQCSA-N 438.294 0.766 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347765 DGDZROKGKQXQDQ-ZIAGYGMSSA-N 431.917 0.425 50 20 ICGD CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2)C(=O)O 1842951994 RANLMEXBJCKLAP-OAHLLOKOSA-N 448.432 0.400 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CO[Si](C)(C)C 1847511329 KQGQWKXPFYKKTK-SOUVJXGZSA-N 429.590 0.925 50 20 ICGD CC(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 25437463 VUBSZNAKOFFECQ-SAAWKEMMSA-N 431.536 0.183 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 725871571 DVJSCWNIYURKOG-UHFFFAOYSA-N 441.400 0.857 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)c1ccccc1O 726868652 CJIDBDSCORLVGB-UHFFFAOYSA-N 434.293 0.956 50 20 ICGD COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC(C)(C)C 728180275 QXLBKHAWWLVGDE-CQSZACIVSA-N 447.579 0.878 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728377172 DTWZOQCOFAKNQI-GXTWGEPZSA-N 443.547 0.129 50 20 ICGD Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2Cl)cc1 729277046 SBYRWTYGVGZQHN-LBPRGKRZSA-N 427.914 0.900 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccccn2)C1 729396779 AHEAZUFFWXVRQY-IYBDPMFKSA-N 438.488 0.363 50 20 ICGD O=C(CSc1ncccc1C(=O)NNC(=O)c1cnn[nH]1)Nc1ccc2c(c1)OCO2 729455542 KLECOAPITTYWCJ-UHFFFAOYSA-N 441.429 0.734 50 20 ICGD CCc1[nH]nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1[N+](=O)[O-] 731640031 DBOBFPHBVYDYLX-UHFFFAOYSA-N 436.450 0.740 50 20 ICGD O=C(COC(=O)CCNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 732329319 HVWSUXOTLKJKOP-UHFFFAOYSA-N 432.364 0.858 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1ccc(C#N)cc1 733040344 CHVBPWIVOOHZNI-UHFFFAOYSA-N 431.474 0.315 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2nc3ccccc3c(=O)n2C)cc1 733364697 BWAOTZVIGGAPFI-UHFFFAOYSA-N 443.485 0.948 50 20 ICGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118345 SURRQSIPOLBPIX-CABCVRRESA-N 427.527 0.045 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cncn3)c(C)c2)cc1 742033880 GTRGYXKNTUDKQS-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD O=C(Cc1cccc(F)c1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755036711 HGNGBMVFJCNMMO-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756148813 GRSBGTJYCIIHKZ-UHFFFAOYSA-N 442.391 0.849 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1OC 756548334 PHNMGTSBMAKRGU-YOEHRIQHSA-N 425.507 0.506 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccnn1Cc1ccccc1F 763572671 NLXICTXLXBTQBY-QGZVFWFLSA-N 439.403 0.996 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763716517 IBOSIYQWFFGIMC-UHFFFAOYSA-N 441.488 0.914 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1S(C)(=O)=O 763746023 OTEYNBLIEINLFY-UHFFFAOYSA-N 444.513 0.937 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 763884887 GULTVUMQVQTFHS-MRXNPFEDSA-N 428.449 0.404 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 764011840 KDJPSYJXNHODKJ-UHFFFAOYSA-N 444.828 0.535 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 764048612 QDWBFOCYHVPKKB-UHFFFAOYSA-N 440.456 0.876 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1SC(F)(F)F 764231260 NPXFBYQLBCDQKD-SSDOTTSWSA-N 428.414 0.322 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 764397813 NOIZGIILUGYHOI-HRCADAONSA-N 436.509 0.433 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2cccc(C(F)(F)F)c2)n1 764430352 WBUMANGUDKIDLV-ZDUSSCGKSA-N 441.366 0.701 50 20 ICGD CC(=O)c1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 770823263 MCPARLBAKIQBKK-UHFFFAOYSA-N 449.485 0.897 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771265659 IROPUTGEIITMNR-OAQYLSRUSA-N 447.492 0.223 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 771958216 ODYLBLTXFDIPMG-YEJXKQKISA-N 446.460 0.101 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191927 GVMDPYKBVSVRRQ-GASCZTMLSA-N 434.880 0.669 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 773478264 NSBIPLJRCYXDIH-XYGWBWBKSA-N 445.505 0.988 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)cc1C 775229809 QTOUUETUHLTWKC-UHFFFAOYSA-N 433.490 0.728 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3cccc(O)c3)cc2)CC1 779011957 NLMQHNGUWBXSCI-UHFFFAOYSA-N 447.517 0.201 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@H](C)O)cc1 779532013 QCNSAEFZRPMQQP-IFXJQAMLSA-N 445.501 0.061 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)o1 782006075 KTGUSKABNQJNKR-JSGCOSHPSA-N 427.866 0.827 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNc3ccnc(Br)c3)cc2)c1=O 784837389 PZHQDEQFWPXTOC-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD O=C(NNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(-n2cnnn2)cc1 787741883 ZYBVNWYXNOBHEU-UHFFFAOYSA-N 426.397 0.459 50 20 ICGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 788895827 JRUGHDUQZOCIOV-ZDUSSCGKSA-N 425.511 0.282 50 20 ICGD CC(=O)Nc1ccc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 789300290 XTBHWQRBRRMIKN-UHFFFAOYSA-N 448.505 0.500 50 20 ICGD CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793042433 ODUCKBYACKYJJG-CABCVRRESA-N 426.495 0.599 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1OC 794577200 UJGNIAOJJXVDFB-UHFFFAOYSA-N 429.476 0.516 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 795169736 VTPBVLYPYOFTEC-UHFFFAOYSA-N 431.474 0.746 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 799259265 RQYMCEIQNDNBCI-UHFFFAOYSA-N 433.465 0.814 50 20 ICGD COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1 801600265 FIMOFZWCEACNCL-OGIUKLMXSA-N 435.477 0.648 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 802065868 DOEXXOZQADFRME-UHFFFAOYSA-N 446.551 0.741 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(C)o1 806973255 HEMQDGCABXKHMZ-HUUCEWRRSA-N 440.456 0.693 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 808011331 SQKJMUVLUQZMST-LLVKDONJSA-N 444.485 0.881 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 815609538 KRGVQPNKCMMVKQ-UHFFFAOYSA-N 439.432 0.613 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)[C@@H]1COc2ccccc2O1 913416514 HPSGMBHWJBLAHM-AWEZNQCLSA-N 427.385 0.231 50 20 ICGD COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CO2 914780330 FNICRFMUCBWTDH-HNNXBMFYSA-N 433.486 0.958 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)n2nnnc2C)c1 916124254 VOHYDEXHFQTFGV-QGZVFWFLSA-N 448.443 0.884 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)nc2ccccc21 916516539 BXPVUJMOBVDFOX-UHFFFAOYSA-N 444.517 0.566 50 20 ICGD CNC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 916603624 YELIKVKXSFMLON-UHFFFAOYSA-N 433.490 0.441 50 20 ICGD COCCCNC(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 920862636 JANCLQTUSJEWNZ-UHFFFAOYSA-N 445.221 0.247 50 20 ICGD Cn1nc(C(F)(F)F)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1Cl 1337519032 HMRICQCAZWIQMX-UHFFFAOYSA-N 439.807 0.127 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccnc(Cl)c3)CCO2)C1 1779030825 IVZMEVZWNISQPU-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779598432 MOXAAFLUWNRZAL-WIYYLYMNSA-N 432.908 0.975 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782172888 PUVIGUAKAXSOAK-XAUMDUMWSA-N 442.944 0.911 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782220138 YQWKTZXYAUYHSH-SSKCKEOISA-N 425.309 0.920 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791253424 ACSNEVBVQZZKKE-JKQORVJESA-N 428.917 0.377 50 20 ICGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791693510 APWFYXGQLJGAQR-YDHLFZDLSA-N 426.311 0.973 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792983619 RPDOBAJVCZRGDR-BKQXGZDCSA-N 445.944 0.479 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794583170 BNNTZJBMXJRWLJ-XCCSTKFXSA-N 429.315 0.805 50 20 ICGD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795722316 WCZVVSHXUOGJRM-DGADGQDISA-N 446.976 0.706 50 20 ICGD Cc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)c1 1795736754 FJKQUBYEKABKFH-HATOLVCRSA-N 436.317 0.809 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1796440063 CKCLDMGHHJJOIH-IGRYJHFFSA-N 445.505 0.063 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@H](F)Br 1799349966 OSYPSPXVVPZDDY-XRGAULLZSA-N 431.302 0.965 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CSCSC1)C2 1800976680 BYNOJQSEYUTMCH-NIFZNCRKSA-N 438.015 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1F)C2 1801012459 GXSYVXMKQGVIEP-SLAYPKMVSA-N 442.438 0.680 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CCCCO1 1802584553 MZWOCOLYTUMTOJ-CEWLAPEOSA-N 437.305 0.650 50 20 ICGD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803298409 SYJUFAKDAIJOKC-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1804858105 ZIFZOTIFNGKTPW-VURMDHGXSA-N 433.553 0.449 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806375227 SIGWEYMNTZHZPF-UTKZUKDTSA-N 439.277 0.034 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364771 GBWGIKZRGZQBOK-NEWSRXKRSA-N 445.712 0.335 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373788 GOWBWPNYCUEHSQ-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cc1nnc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)o1 1809966549 CHGUHRBZNGQCGE-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)cn2[nH]cnc(=O)c12 1814873262 LPYARMRRGVAQMD-UONOGXRCSA-N 447.883 0.960 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1 1817643330 KUBRDSLVKWGSSR-SFHVURJKSA-N 436.281 0.601 50 20 ICGD Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402076 LQNSCSMJZUDKOM-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825636419 UXYNZPVOKNQIFU-SFYZADRCSA-N 444.311 0.390 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cccn1 1826854908 JKMAVDKKURUKLR-IUODEOHRSA-N 439.306 0.506 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050697 USFPGDAQDWHCHR-SFHVURJKSA-N 425.298 0.042 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830533651 RDBNCIIQBVDHJU-JMSVASOKSA-N 427.723 0.074 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n(C)n1 1830538251 ZWCKMGBFANVPED-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1830543866 GPYFUCWWSCZYSJ-GUYCJALGSA-N 429.315 0.440 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830774784 DLTBVRUWAXPEJX-VKJFTORMSA-N 432.359 0.711 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831651831 SXSDETOFKAOIQJ-BLLLJJGKSA-N 444.834 0.956 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)on1 1832566522 DPNHOMNUISDWSX-KRWDZBQOSA-N 430.299 0.767 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832935983 NNUVAGNKWRICFB-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1833509690 VOSHOQLODVQQFB-ROUUACIJSA-N 447.319 0.792 50 20 ICGD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834712101 VDIOMPAKFFNARF-LIRRHRJNSA-N 447.916 0.164 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822214 DJMMHKZWJHPTPK-SFHVURJKSA-N 445.358 0.510 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835055181 XFXHZKMWKFFTNM-APWZRJJASA-N 431.316 0.939 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836893269 ZACUPENAUMEAMZ-HRAATJIYSA-N 440.585 0.765 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981128 NQNKVGHKAXYIJQ-UZLBHIALSA-N 440.928 0.543 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837770301 YXFGVQLCOHTYJB-YVEFUNNKSA-N 437.802 0.848 50 20 ICGD CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054428 YYOGWJXPEATZGH-JOCHJYFZSA-N 447.536 0.199 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839070175 ZNFZQZJPZKPDMH-RXVVDRJESA-N 435.908 0.767 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203546 OGDWUWMFMPYPAA-YSCDTDAQSA-N 443.273 0.637 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840155942 KPVWVFMDERICDE-HUBLWGQQSA-N 427.723 0.480 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326782 YIQKLXSAWWJGGF-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1840369730 NJQZESHNSKMHLI-CXAGYDPISA-N 430.299 0.765 50 20 ICGD COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(F)c1 1843011547 OUGBKROFTGABPY-UHFFFAOYSA-N 440.280 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1844263850 AXTNATHPPADKIT-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1846361935 XVRWSNGWCBCHQP-OAHLLOKOSA-N 447.923 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1846383826 ABRJMDHSNGLWAJ-UHFFFAOYSA-N 436.534 0.280 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1847006105 XWPASTFIRCLINF-ZZQPOVDQSA-N 430.509 0.629 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 10744024 OXQSDKZGBCBNNN-LHSJRXKWSA-N 430.461 0.800 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc(C#N)n1C 725921638 JHSBVKAZUURQGZ-AUWJEWJLSA-N 427.442 0.941 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 726076122 NEFGMTKXNCATSM-UHFFFAOYSA-N 430.552 0.195 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCNC(=O)OC(C)(C)C)cc2)CC1 728213045 CJTYCEPPKYZFQD-UHFFFAOYSA-N 441.554 0.981 50 20 ICGD O=C(COC(=O)COc1ccc([N+](=O)[O-])c(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 728338513 LALCLHIVYGPTRE-MRXNPFEDSA-N 449.347 0.643 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2scnc2C)c1 730025579 LXKKESAJJDAROO-JTQLQIEISA-N 440.507 0.331 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 731499998 VSWHVEMFUCMVJM-UHFFFAOYSA-N 425.489 0.984 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 731957453 KYAQBLNWCYHSLK-QGZVFWFLSA-N 434.493 0.178 50 20 ICGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 733347693 HFCQFSCMBMPGSR-NSHDSACASA-N 449.327 0.826 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 733833001 UQRILDIZPPHHBK-QGZVFWFLSA-N 449.423 0.768 50 20 ICGD CN1C(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C(=O)C12CCCCC2 734240835 UZLQCRUVSGHRQF-UHFFFAOYSA-N 440.501 0.438 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1nccnc1Cl 734261210 DMDBKIPCQUESFM-LBPRGKRZSA-N 447.926 0.355 50 20 ICGD CC(C)NC(=O)CCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117067 NKGGROVEMTUJPK-UHFFFAOYSA-N 426.543 0.156 50 20 ICGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2I)cn1 735521635 IAJZZOBFPJDPBD-UHFFFAOYSA-N 427.202 0.216 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)COCc2ccccc2)c1 737756486 NTDSGNFVNGKLCP-UHFFFAOYSA-N 436.442 0.786 50 20 ICGD COCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 739035985 SGPVZCFYCMTKDU-INIZCTEOSA-N 439.538 0.136 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 740852499 CQXKFFYDYBFUBU-UHFFFAOYSA-N 442.513 0.679 50 20 ICGD CC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCOCC1 746426135 MVWQEZWEAHWDQH-KRWDZBQOSA-N 440.570 0.849 50 20 ICGD O=C(Cn1c(S)nc2ccccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 746688426 GXYISNHUZAQBDL-UHFFFAOYSA-N 439.501 0.539 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=S)NC[C@@H]1CCOC1 749735404 WPOOPPBTXCKONC-INIZCTEOSA-N 425.986 0.989 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1OC 750522261 JYOVIOPCUJAPST-UHFFFAOYSA-N 444.400 0.470 50 20 ICGD O=C(CO)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 753445549 MPNRRKSEPWYNQT-QMMMGPOBSA-N 426.314 0.051 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1 755268173 DFTWEDWOFUULQS-YHVDPYDOSA-N 437.547 0.812 50 20 ICGD CC(C)CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755531505 DMEUNVARVCVQFQ-CYBMUJFWSA-N 432.524 0.351 50 20 ICGD O=C(CC1CC1)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755535959 PMCYGVLYGZFMSL-CYBMUJFWSA-N 430.508 0.105 50 20 ICGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 755959525 URVIDUVSPBEMLH-UHFFFAOYSA-N 431.448 0.579 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3ccccn3)c2)CC1 756359246 ONNCHEKLWQFJFG-UHFFFAOYSA-N 432.506 0.874 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 756442445 PYXUNICOZANOMV-UHFFFAOYSA-N 427.465 0.671 50 20 ICGD O=C(NNC(=S)NC[C@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 758170968 DHNIFRFBHCEPKD-OAHLLOKOSA-N 442.563 0.386 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 763476599 MXLOTRNFPJBJER-IBGZPJMESA-N 445.586 0.830 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCOC1=O 763646417 GWSUKSQCNJRTSE-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763838344 SWZPQAUICNTYRY-UHFFFAOYSA-N 438.437 0.040 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(F)c1 763917599 YWQRVVFWYLMGHE-UHFFFAOYSA-N 427.396 0.988 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1S(=O)(=O)N(C)C 764066680 RAUJOPWZGPWNHM-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1 764127948 VOIILHBGXDPUEG-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(C)c2)c1O 764131127 NKONZNUJZAVMHH-UHFFFAOYSA-N 428.445 0.946 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)c2ccoc2)cc(OC)c(OC)c1OC 764159723 FBYZSIOOERQYTR-UHFFFAOYSA-N 435.389 0.882 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc(S(C)(=O)=O)c1 764200329 YTTWPARRRZXKJS-UHFFFAOYSA-N 427.479 0.789 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 764426679 VTCHOLFZYNIIBG-OAHLLOKOSA-N 438.868 0.467 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(Cl)ccc2Cl)n(C)c1=O 765313147 PHULZAVDXNSTCN-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739574 YPOXHBZRPVODSC-INIZCTEOSA-N 440.548 0.821 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1CCSC1=O 765750686 DODZZKSCIDLWQP-UHFFFAOYSA-N 425.942 0.774 50 20 ICGD CC(C)[C@@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1CCCS1(=O)=O 772692728 KJEVYOFTIBPVPA-LBPRGKRZSA-N 425.515 0.790 50 20 ICGD COCCN1C[C@@H](C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 776206646 XSDSEDHMUFJKAU-AWEZNQCLSA-N 427.502 0.117 50 20 ICGD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)CBr)CC1 777779353 JDAUVFHHGRTWOZ-UHFFFAOYSA-N 437.228 0.943 50 20 ICGD COc1ccc(Cn2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cn2)cc1OC 778298925 DGBQELBDGPGOTK-UHFFFAOYSA-N 448.443 0.999 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 778441185 JXPCYPFTZVTOPG-UHFFFAOYSA-N 448.448 0.691 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 778575508 AOLFDODFYVPEMP-UHFFFAOYSA-N 441.404 0.830 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 778713402 QWCBVGWFIDQMOB-NHYWBVRUSA-N 427.841 0.257 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cnn1-c1ccccc1F 784004665 ZMHXLHQCOGGFKB-UHFFFAOYSA-N 444.448 0.897 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CN(C)C(=O)c2ccccc21 784724844 WLGUVMYMJDMHDW-HNNXBMFYSA-N 429.502 0.919 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786723415 OVVKCXBOHRYEIN-JTQLQIEISA-N 439.943 0.766 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1nc2ccccn2n1 790119093 FHELVFRCWSJFGL-UHFFFAOYSA-N 431.478 0.577 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 792357028 XWBUIGOAERLIRS-UHFFFAOYSA-N 427.177 0.995 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1C 796989500 FRXUNVPJLPMEQR-UHFFFAOYSA-N 442.472 0.847 50 20 ICGD COCCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916827769 XMJDIOMCFOLRMA-HNNXBMFYSA-N 443.522 0.527 50 20 ICGD C[S@](=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 927716742 FDOIUUMGZHRGAE-ZQHDKMAOSA-N 432.454 0.709 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H](F)Cl)C3)cc21 1778025944 JHWUMWKTYGGEBL-ZRGWGRIASA-N 441.891 0.679 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1781995501 NQYFIXZYASWNIC-UHQDVWGKSA-N 430.343 0.810 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(C2CC2)on1 1783756841 TULILSSMPHTRQZ-KNBMTAEXSA-N 439.277 0.139 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1783935103 OVHMDZSRBTWTIH-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ccc1[N+](=O)[O-] 1784095496 JGUPKIISGBFOTG-LBEHMCEESA-N 441.868 0.796 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787382424 ALMUMZKCJVJANQ-ZJOBFFGXSA-N 439.896 0.700 50 20 ICGD COc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792795553 DFBVHTSBMCLRMF-REPLKXPHSA-N 438.289 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@@H](O)CCl 1792983586 PWWSZTDSKNYHLL-FWCWNIRPSA-N 426.853 0.006 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1Cl 1793954992 MTSCPUQWUGBWPC-CCWDJLKJSA-N 437.928 0.240 50 20 ICGD CCCc1onc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796613133 KHUYJYTXBCEXMD-CWPLJXCYSA-N 441.293 0.132 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797786804 JGDKEENBCAMOLY-BPKGMFCQSA-N 432.901 0.478 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799364706 BCOOHVINODAKJA-OGMFBOKVSA-N 437.896 0.386 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(c2ccccc2)=NN1 1800158466 SQFMBSPKIDSVGD-LMCLKVLCSA-N 434.924 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1800974960 BMSUGMYKWGZYFS-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD Cc1ncc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1801489189 WKGILEMFBTYLSD-HMAWRFLHSA-N 441.318 0.048 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccccc1 1804063508 AFZKVISIOFPYMF-REPLKXPHSA-N 443.548 0.818 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804322035 KTNYAQJCLFFFMF-FXAWDEMLSA-N 447.256 0.557 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncc(F)c1 1805846126 PPXIUNDQOSPXBT-DYESRHJHSA-N 448.263 0.929 50 20 ICGD C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCCN1 1807365077 IPFLWDBJSQVKRO-KKLQWCBXSA-N 436.321 0.223 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807608738 GSQUKGGJMSRKBH-XPKDYRNWSA-N 436.314 0.805 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)CC1 1814871736 AKIBKZBQRCCELZ-JKSUJKDBSA-N 440.932 0.166 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815104046 XWIYMXRMYYRICB-CXAGYDPISA-N 441.297 0.310 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339369 BGRBOPXVVRZMNE-ATWMFIQVSA-N 443.290 0.168 50 20 ICGD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1815545348 PMNCOUFQMDYXNE-CQSZACIVSA-N 439.306 0.025 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1817117535 KNWDRVZQHSBTBI-UPONEAKYSA-N 425.833 0.634 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)N1C[C@H]2C[C@@H]2C1 1819580425 RTBHWKOPDKQEBH-KBUPBQIOSA-N 448.593 0.768 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821123007 XWTZKPZHBOVTRV-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc[nH]n2)n[nH]1 1821742393 HWKVZURPADLABJ-MRXNPFEDSA-N 437.464 0.680 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1822367678 BHJPTMPTNDEZGZ-BXUZGUMPSA-N 449.899 0.909 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnc1 1826083909 VGDGVKOBOGFESO-QWHCGFSZSA-N 433.538 0.886 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1830533215 IFASJSLEZFTCCS-YJBOKZPZSA-N 432.359 0.570 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1830535239 KDELSRVMTFXMDQ-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c1 1830538814 QYPMLFGYKJGCJT-YJBOKZPZSA-N 443.342 0.679 50 20 ICGD Cc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726601 RMDBRKVOYLZTQL-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc(F)c1F 1830738870 WJYNLVVQCXUHCB-BEFAXECRSA-N 432.851 0.943 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831079267 TUZDKBHTXQIEMX-OZIPEELISA-N 441.337 0.640 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1cccs1 1833030228 QFHKZYPDFOWHLK-WMLDXEAASA-N 433.889 0.469 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513326 BGXRAPQOXDAAAY-KBXCAEBGSA-N 435.352 0.903 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1 1837651705 FXQDGDDRAYWQHH-HNNXBMFYSA-N 447.374 0.363 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837971823 JIBMTUIAOQZPHY-PXAZEXFGSA-N 431.283 0.625 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Cl)CC3)CC2)CC1 1838082879 RQKLBFXDYALTDX-IBGZPJMESA-N 446.951 0.684 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840033680 MTXWZWSTLMIMBL-BZNIZROVSA-N 447.717 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840151857 PMWCZDXLBRKGGB-QRWLVFNGSA-N 440.928 0.612 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1840152200 ATRJHBXXSMUQGP-IAMHBRQHSA-N 440.928 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840154926 KNTKJFBACLZYOZ-YWZLYKJASA-N 440.928 0.233 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840677443 KZMPWMYQYZILPK-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1841247757 HPVNZVGACQEMTB-MRXNPFEDSA-N 435.908 0.570 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)[C@@H](O)C1 1841348899 USDANKANOXZOHQ-ZNMIVQPWSA-N 445.944 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CC(F)(F)C(=O)O)C2 1843415959 IDKGXEROCRHXKW-SSDVNMTOSA-N 425.392 0.434 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCO3)C2 1843416263 PYDHJSWECPHART-OEAKJJBVSA-N 439.476 0.617 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)COc1ccccc1F 14320451 BEFUJFGMZVZAOG-UHFFFAOYSA-N 433.440 0.213 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)cc1 14335705 QGHFMHNDOFTWCL-UHFFFAOYSA-N 447.517 0.308 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 137788607 OIWBWWHTQLEBOZ-UHFFFAOYSA-N 430.486 0.961 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc(C#N)n1C 725921639 JHSBVKAZUURQGZ-VGOFMYFVSA-N 427.442 0.941 50 20 ICGD Cc1ccc(-n2ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C(F)(F)F)cc1 729277307 YWGMFTJZTXYLDE-JTQLQIEISA-N 433.412 0.898 50 20 ICGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729295828 MVYDUZVOEHDIQC-UHFFFAOYSA-N 426.495 0.711 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)Cc2ccccn2)c(C(=O)OC)c1C 729664627 SRGSWCIFJJLZJC-UHFFFAOYSA-N 427.460 0.577 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)Cc1cc[nH]n1 730103052 VVIXMHGYVLWLTF-HNNXBMFYSA-N 425.536 0.508 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 733150179 JVMNDQNUGMYDKM-ZWKOTPCHSA-N 443.552 0.173 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 733851419 YHNXPZBCZIPAQB-ZDUSSCGKSA-N 427.383 0.764 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 740853056 SOHPSESDWANSJO-UHFFFAOYSA-N 434.312 0.918 50 20 ICGD CCN1CCN(C(=O)CC2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)CC1 744402689 PXQDJWMTKTZHER-UHFFFAOYSA-N 440.548 0.585 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747781049 HUZMOZRKBVWUPY-HXUWFJFHSA-N 437.500 0.013 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C 747992229 NVRRJLZYXZNZMP-BKAYVGFPSA-N 437.566 0.652 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2ncccc2C)n1 752630315 IKXDYBGQXDYLAH-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNc1ccc(-n3cccn3)nn1)OCO2 753853380 RUWQMNBTZSMGQK-UHFFFAOYSA-N 425.361 0.259 50 20 ICGD CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 758380691 LJLCWBYHNUVYNU-UHFFFAOYSA-N 431.474 0.581 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 758781949 JFTJOAPQUFKTJG-OAHLLOKOSA-N 440.545 0.032 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@]12CCCO2 759212039 VDZNCRIOTZWNKZ-PMUMKWKESA-N 425.511 0.650 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763551548 PMGKGMZSSIFGNV-LLVKDONJSA-N 428.401 0.788 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574010 WTZHHRZZWDWAEY-INIZCTEOSA-N 433.442 0.157 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc(-c2nncn2C)c1 764002595 OJZOMOCDWOLLNQ-UHFFFAOYSA-N 446.265 0.983 50 20 ICGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)cs1 764233345 VEOOTFVVFYZUTE-VIFPVBQESA-N 425.492 0.142 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cccnc3OC)n[nH]2)cc1OC 764379254 TXZBUFCODNLGKA-UHFFFAOYSA-N 440.416 0.897 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)nn1-c1ccc(Cl)c(Cl)c1 764433262 LFPOCISSQUDLBC-CYBMUJFWSA-N 442.259 0.989 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1O 764819157 SRBAKFPNWAHYOA-UHFFFAOYSA-N 449.265 0.442 50 20 ICGD Cc1[nH]nc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] 766661121 RVHJCCMHFKNVLM-UHFFFAOYSA-N 435.872 0.859 50 20 ICGD CC(C)(C)OC(=O)N[C@@](C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 767685464 WBXUFGHQBGXBIF-AUUYWEPGSA-N 440.522 0.944 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768634363 JDCAAMWJNUOCEY-MTLGCJRHSA-N 437.474 0.093 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@H](C)O)cc1 770418022 RAKPNNQZANJDKW-SCLBCKFNSA-N 449.485 0.255 50 20 ICGD Cc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c(=O)n2c1 777776926 ABEYOVNDERHENH-UHFFFAOYSA-N 429.296 0.443 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCS(=O)(=O)C1 783426631 IHBQBEUHEQMQMH-SCLBCKFNSA-N 429.470 0.520 50 20 ICGD CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783428707 WRVIVMJBZHGVSF-KRWDZBQOSA-N 433.914 0.892 50 20 ICGD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000233 RAKDCQSFNKXQQR-UHFFFAOYSA-N 446.382 0.439 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 789733612 PGDYOLVIGAMYAB-UHFFFAOYSA-N 428.445 0.910 50 20 ICGD O=C(NNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C(=O)N1CCCC1 793305630 SRRAOXMXEDWYSB-HOTGVXAUSA-N 425.445 0.348 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)cc1 801106319 UTOVCZJPELHFHH-UHFFFAOYSA-N 436.428 0.620 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 801110481 AFNPGTSPRACIOQ-MRXNPFEDSA-N 438.440 0.905 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 804952490 MXUSNKCGVJTLEI-FQEVSTJZSA-N 436.432 0.581 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2s1 815691865 DAQRWWVDYOBBOX-VIFPVBQESA-N 431.503 0.958 50 20 ICGD O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 821979458 VNJYFVUHIJBMFP-UHFFFAOYSA-N 437.460 0.821 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912924633 DLIAJFJBQZLNPP-IYBDPMFKSA-N 426.539 0.228 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)c1ccc(-n2cnnn2)cc1 913156094 RWORFEUJUFPTRB-UHFFFAOYSA-N 449.880 0.445 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccc(-n2cnnn2)cc1 914751893 RFSDHSMRVQNCAH-LBPRGKRZSA-N 427.371 0.755 50 20 ICGD COc1cc(Cl)c(Br)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1320889873 MIQJPBYYHALSJL-ZCFIWIBFSA-N 428.692 0.810 50 20 ICGD CN(C)Cc1cc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)no1 1342106309 NUBGEFNVEYIDSC-UHFFFAOYSA-N 434.928 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1779032838 XREKBSUWSXCZIA-IBGZPJMESA-N 449.418 0.034 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779485968 GIEJHFPVLLPWOV-PFRKPPGBSA-N 442.451 0.798 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1[N+](=O)[O-] 1781302106 FUXGSZSNCDTBFA-LPHOPBHVSA-N 425.869 0.875 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1781997183 JDSXFCINDLPVRN-PBFPGSCMSA-N 432.315 0.736 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)c2cccn2C)C1 1782616722 KHJXUNVXPVRKNN-AKCHCHLHSA-N 425.913 0.976 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1782866870 DWTOLFPARSXCOI-ZZKIFARHSA-N 442.426 0.993 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783532136 DOTKNZAZCNTYSZ-YJBOKZPZSA-N 431.375 0.237 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cc1)CCO2 1783934895 JXPSCRKWTHOICM-JOCHJYFZSA-N 431.537 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1783936643 JWYHOVKJCWBNFA-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C[C@@H]21)[C@H](O)CCl 1784090862 DOAPUZNZBIIOEF-GGZSPTBLSA-N 442.303 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784312290 PESXQFDSLUODNQ-WOYTXXSLSA-N 431.961 0.771 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787018026 GSWPWJJMQNVPQG-AJNGGQMLSA-N 426.311 0.611 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787443798 TYBYSDPQJWGTMZ-PDWCTOEPSA-N 437.896 0.386 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789519975 VYZQHSHSFVKQEP-ZDUSSCGKSA-N 438.488 0.944 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1791057836 QSTYSUOGDCNNDI-NAKRPEOUSA-N 427.242 0.860 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cc1O)C2)[C@H](O)CCl 1792979725 CJRFUOCSNDANDX-ANGCBRKESA-N 447.713 0.958 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982617 KNSWMMWHGATRRH-DGADGQDISA-N 445.944 0.575 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793372447 YCOIIKMFKSMUMC-QNSTZXKLSA-N 439.372 0.430 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793729476 LMJOECCCYLVXTH-PEGIJTEDSA-N 444.454 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730766 HASYPPUUYCQYKA-JXUBOQSCSA-N 434.770 0.185 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005111 NBCPMQLHXARGOH-VAECKANCSA-N 434.280 0.617 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1795114968 RXYJLNIQKVXTIH-GLRLOKQVSA-N 442.354 0.762 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362644 AFFWDDKDLYWSKI-ITGHMWBKSA-N 437.896 0.650 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1796440333 LSCHABMRDGGCGT-ODRBZYGGSA-N 444.536 0.196 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1occc1C)C2 1796440446 MBJUULJBFWHYIG-AMFOTSNXSA-N 427.461 0.925 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C)c1 1796638344 MIRRPVXQESCIEU-PHHZKWSHSA-N 440.504 0.671 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1nc(O)n2c1CCCC2 1797984132 DGQBGMBZLPQLFN-JJLQDPRZSA-N 441.326 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](N)c1cccnc1)C2 1798439183 MPDZLUGTEIFLHZ-YYAJDYIMSA-N 437.504 0.422 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1799220454 PXAQLKDXLJEKFH-CLLJXQQHSA-N 433.421 0.440 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 1801521799 ATZYIWZTVOCILX-BUOXLWHKSA-N 426.322 0.540 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)ncn1 1803142613 YOAAGEWLCACOQR-KCXAZCMYSA-N 433.852 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cn(C)cn2)[C@@H]1c1cccnc1 1805955092 PNCHMWSGKRQZTH-UZLBHIALSA-N 427.509 0.508 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807055680 NJMMXJXOALTGBE-UXIGCNINSA-N 425.331 0.601 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374824 OCELJCGKSYXAGO-PAXLWEDBSA-N 437.305 0.696 50 20 ICGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295024 PGOXDEXEKRSSCW-PBHICJAKSA-N 442.476 0.019 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)[C@@H](O)CCl 1814871338 MUPWBQIDVUIFCE-KGLIPLIRSA-N 447.945 0.427 50 20 ICGD Cc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1F 1815355702 YMPZDDPQVCPMHW-LBPRGKRZSA-N 443.269 0.533 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817599746 UOXUFEUIPVZEBK-LBPRGKRZSA-N 443.319 0.522 50 20 ICGD COC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791295 NJCBDPQUZMCUSE-JTQLQIEISA-N 432.506 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1 1820536333 CVQQSJNLRQQLCO-LLVKDONJSA-N 435.506 0.827 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542861 YLBSCVRLIJRMMI-MNOVXSKESA-N 425.898 0.566 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080328 BIPRZLLRTSKJRE-UONOGXRCSA-N 447.565 0.961 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829545961 JDZJJHZZMADFDM-UGSOOPFHSA-N 432.926 0.817 50 20 ICGD CN1CCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830727742 CTUZWBUTXBOPSE-GHTZIAJQSA-N 437.924 0.349 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831112130 VNYQGJAJIZYTHE-LSDHHAIUSA-N 426.901 0.780 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833590676 PEXHACASQQVOIM-FOIQADDNSA-N 442.944 0.962 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834390009 XAINTEHVXKRYID-RHSMWYFYSA-N 429.315 0.513 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1C[C@H]2C[C@@H]2C1 1837287288 RASSPTZXPANBAR-IKVWTGGYSA-N 439.629 0.635 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838900768 QVSDGKBEZSPIJJ-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106043 ABIDZEIYNLNULV-MBOZVWFJSA-N 430.977 0.096 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(Cl)c1 1839422588 CRTFWITZEKPREO-APWZRJJASA-N 442.299 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2C[C@H]3C[C@@H]3C2)C1 1844189171 MXLLXKNKJDAFML-YFXOANNVSA-N 426.521 0.664 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c(C#N)c1 1845139749 ASTDXJQDDPQKAL-UHFFFAOYSA-N 427.505 0.686 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CNC(=O)C1 1848098605 LHRBRQMJGONRTR-RFGFWPKPSA-N 428.917 0.456 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2c(=O)n(C)c3ccccc32)cc1OC 14167603 LXRWEQKTTIMGIO-UHFFFAOYSA-N 442.428 0.362 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccccc1CN1CCOCC1 725873246 VMYFUDVVKGIUKE-UHFFFAOYSA-N 431.518 0.841 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(=O)NC)nc2)c1 728512500 XOSQOFPIOJBFDI-UHFFFAOYSA-N 433.490 0.547 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728957275 QKFGQLIEUOJZCI-UHFFFAOYSA-N 436.494 0.366 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cnn(C)c1 735471168 SBTVYPFYWYJVBH-CYBMUJFWSA-N 429.499 0.420 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 743829019 UVOGZHRVJHEEOP-UHFFFAOYSA-N 448.461 0.161 50 20 ICGD CCc1nsc(N2CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 744426630 OBLFUOXCJOYORB-UHFFFAOYSA-N 433.494 0.982 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 746260187 RICMBOWUDRDWDA-UHFFFAOYSA-N 432.462 0.200 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 748128940 HIOLCEDMVJEBQX-UHFFFAOYSA-N 440.503 0.249 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)cs2)c2ccccc2c1=O 748689685 SEYHHGWYABGLPV-UHFFFAOYSA-N 449.514 0.851 50 20 ICGD COCCCNC(=O)NNC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 751370654 GJUUDRPFQKEJES-UHFFFAOYSA-N 425.490 0.831 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2O1 751538768 OWGFPESTNJFTFM-MSOLQXFVSA-N 448.453 0.703 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cc(Br)c[nH]2)C1=O 752001048 YEQOCJYSAIJVLQ-AYVTZFPOSA-N 427.259 0.442 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-n3ccnn3)cc2)c1 756314277 CDVHPHHTDVBOSJ-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD O=C(NNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)N1CCCC1 756820667 VKRPSYITDRFAIP-AWEZNQCLSA-N 437.294 0.710 50 20 ICGD COc1cc(I)c(C(=O)NNc2ccc(C(N)=O)nn2)cc1OC 757391237 DIOVRPGITHSHQU-UHFFFAOYSA-N 443.201 0.954 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 758040421 PNCFZAKITBBVOA-SJKOYZFVSA-N 446.485 0.328 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 762847337 GAGTZYQIZXOWBI-SPLOXXLWSA-N 445.524 0.893 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 763551817 SLJAWUWKQWGECD-UHFFFAOYSA-N 446.441 0.256 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 763669748 ZRGMJHKVTITAQQ-UHFFFAOYSA-N 428.445 0.593 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC(C)C 763917632 ZPJZEEMAJGGCAX-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764111192 DMLLQTZRPNJGOM-UHFFFAOYSA-N 436.412 0.900 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c2ccccc2O1 764343058 MUUBHVFNNKQXKX-GOSISDBHSA-N 449.423 0.601 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 764344200 UWYMMTNTQUKCGZ-AWEZNQCLSA-N 425.474 0.633 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cn1)NC1CCCC1 764349062 DTQWRISKKVVTEA-UHFFFAOYSA-N 448.867 0.701 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 764397590 KKQBFFWOEZICML-CYBMUJFWSA-N 430.465 0.419 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 764398483 SRBCQEQAJKAVKL-LLVKDONJSA-N 428.873 0.616 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)c1 767187155 KELIYGWDWIUELN-UHFFFAOYSA-N 447.473 0.458 50 20 ICGD C[C@@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CN(Cc2ccccc2)C1 767360371 LRVJXKRZOBQEPY-CQSZACIVSA-N 430.534 0.585 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CCc2nc(O)c3cnn(C)c3n2)n[nH]1 768281794 PNRRNHJCLLTFFV-UHFFFAOYSA-N 436.432 0.861 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768630262 VWNWGZUIEDGCAL-XYPYXGAPSA-N 437.474 0.094 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 769264303 DVUUWPJBRPQEKH-LBPRGKRZSA-N 427.339 0.392 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ncccc12 770771066 FTXGJPKJIRCXQQ-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 771609328 WRCGKNAWEZZQIY-UHFFFAOYSA-N 431.467 0.105 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 771966344 OWKPBNZRBRQIBU-CHWSQXEVSA-N 429.470 0.716 50 20 ICGD CC(=O)N1C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 772187673 ANVIQQRXTMXZSS-QGZVFWFLSA-N 430.848 0.918 50 20 ICGD CC1(OCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 772955968 GOOIAAZFZVADGO-UHFFFAOYSA-N 439.534 0.747 50 20 ICGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 773522486 BKTBJVCWPHKJNZ-UHFFFAOYSA-N 445.501 0.883 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])ccc1S(=O)(=O)N(C)C 773656140 ZAPYYUXGBOYELX-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)ccc1Br 776137582 GYGKORVNJMZJAR-LURJTMIESA-N 443.117 0.910 50 20 ICGD CN(NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776212265 IKCONJWNBJMLKQ-CYBMUJFWSA-N 433.531 0.046 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778911575 WUPJIUXIWQDXMQ-UHFFFAOYSA-N 436.490 0.131 50 20 ICGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 779714812 ZOBDGUMXOHDQSF-JKSUJKDBSA-N 425.507 0.674 50 20 ICGD NC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n1 782012077 CPSPWHYJYGYUFX-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1 782148398 RAPFVSGFEDHDFV-GFCCVEGCSA-N 429.433 0.853 50 20 ICGD COc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1F 783263858 LXNUBVOGDODKBZ-UHFFFAOYSA-N 425.442 0.998 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1 784004151 JAXVPNVDIXMLNN-UHFFFAOYSA-N 441.488 0.824 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](COC)[C@H]2CCCO2)c1 789336182 VHHOXSBSYOXEBF-DLBZAZTESA-N 442.538 0.855 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)CN1CCCC1=O 789858332 UYCBSCDQRTVQGX-UHFFFAOYSA-N 436.534 0.394 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 790950970 AEYHOGIAWAWGKV-AWEZNQCLSA-N 445.476 0.878 50 20 ICGD NC(=O)NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 798276273 AUKZXDMCXFWQDW-UHFFFAOYSA-N 447.455 0.156 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)c(OC)c1 800623150 IEAGISMCLUWKRV-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CCSCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 800731626 MIZKKPJMMFZJPM-UHFFFAOYSA-N 430.552 0.795 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F 806567049 CWNBSQFOBFLPBL-LBPRGKRZSA-N 437.400 0.090 50 20 ICGD COC[C@@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 807554047 PWAQSSMNUJBTHC-MSOLQXFVSA-N 434.559 0.784 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c(O)c1 812979689 ZZEFWJZYEUGHND-UHFFFAOYSA-N 425.445 0.032 50 20 ICGD CO[C@](C)(CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CC1 813202877 RBHMPCCYGPSSKL-GOSISDBHSA-N 426.543 0.459 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(-c3ccccn3)c2N)cc1OC 815308918 PCNPXPVMXXXLHZ-UHFFFAOYSA-N 440.416 0.485 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cn2)CC1 815565008 ZZHMNHBBZNMOSM-UHFFFAOYSA-N 444.423 0.509 50 20 ICGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815692174 LFICUMZXDPKZQA-VIFPVBQESA-N 437.254 0.398 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-n2nnnc2C)cc1 857431116 CGBUCBPFWQDJII-UHFFFAOYSA-N 428.478 0.647 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 914532682 OHLGVQVZOIDGPR-IBGZPJMESA-N 445.541 0.923 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 916641121 YFQUIHKZIDVDSW-UHFFFAOYSA-N 432.433 0.721 50 20 ICGD COc1cc(CNC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)ccc1OCC(N)=O 916641142 ZDBMUHBSARNNNA-LBPRGKRZSA-N 434.424 0.996 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 919688929 KJZDJUCCKRHLSJ-KRWDZBQOSA-N 448.476 0.890 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H](F)Cl)C3)cc21 1778025940 JHWUMWKTYGGEBL-SPYBWZPUSA-N 441.891 0.679 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778040776 VXQZWNQDCSEKFV-JOCHJYFZSA-N 427.505 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778513040 LNUHXHZJBBJWET-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778658302 MEYDIUKBXHDZMH-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1779032260 MCFOFHYNIFFCQC-FQEVSTJZSA-N 433.484 0.801 50 20 ICGD CO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967930 DUYKOVFNHUVKPK-HTAPYJJXSA-N 447.536 0.197 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ccccc1-n1nccn1 1781039402 MHFOUPIOKOBBSM-DBXWQHBBSA-N 447.923 0.995 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632291 QAXWVUZLJKKPDM-SCLBCKFNSA-N 441.326 0.976 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1783880376 DRLMUIWVQDRXPL-CDXJDZJCSA-N 434.924 0.836 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1784067962 GUURWCXJICNYTK-VBKDQWRHSA-N 439.875 0.875 50 20 ICGD N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786978744 QBVDUJKNHGDCHA-BVSLBCMMSA-N 447.300 0.074 50 20 ICGD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCCCC1 1786983474 KWYDNOSGBZGXLL-IHPCNDPISA-N 428.338 0.930 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984302 BCENKCYVPSNSAP-SNRMKQJTSA-N 428.319 0.264 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nnc(-c2ccccc2)o1 1788663631 AFXXNCJWNGAWCX-JONQDZQNSA-N 434.880 0.930 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)cc1F 1789646159 MODVLEWAVFXIJZ-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD Cc1ccc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1791920219 JWMCLKKPMMZZTF-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD O=C(CCCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793733489 WBVKPMYDMHKDSV-XOIINTDNSA-N 428.216 0.302 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccccc1 1795272284 AFWGMAZHBSQJTN-VPTLXERWSA-N 434.562 0.741 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)ncn1)C2 1796890619 BDFKLOUWETXWCB-MGGJZVGQSA-N 425.449 0.568 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)cn1 1797955833 HVNSVOYIHLZQOI-JLVBRIDZSA-N 435.553 0.923 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797986427 URZBRBCDIAARCP-QVHKTLOISA-N 426.901 0.382 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncnn2c1 1798232710 ORFHUGZFYPNCBT-QDMKHBRRSA-N 434.460 0.293 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443683 VNJWKYHVIFALQY-MUJYYYPQSA-N 439.520 0.530 50 20 ICGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801010727 SJFLIFPALXITTA-BBIADKPPSA-N 430.549 0.890 50 20 ICGD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCCCCCCBr 1802187147 YOLRCZXPGSNQQV-DFGXFYAUSA-N 447.418 0.988 50 20 ICGD CN1CCC(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1802572158 AEFPELNKULOGEM-UGKGYDQZSA-N 444.580 0.802 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802661542 ZBMNPCODHURMBC-JXFKEZNVSA-N 440.504 0.825 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1803537523 JBCMEDHQAOTGGK-UYAOXDASSA-N 437.305 0.508 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCBr)[C@@H]2c2cccnc2)O1 1803642025 ADZFZHLUDGZMLG-KCQAQPDRSA-N 425.283 0.981 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1 1803652066 DWQFWVBAHWFYSW-OMMZEQHOSA-N 437.280 0.973 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)[C@@H]1c1cccnc1 1805488619 JMLRWPQLCLYAJB-KXBFYZLASA-N 446.471 0.504 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067890 HEUVXWPKORUQRM-PGRDOPGGSA-N 446.552 0.329 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CCCS1 1813612135 QXAQUMUAUJPAMZ-YSIASYRMSA-N 439.346 0.977 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1 1820165274 CSSWDJQWAOCGLV-BMIGLBTASA-N 444.586 0.971 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185852 HUMADTQBUQVJDT-DLBZAZTESA-N 437.928 0.518 50 20 ICGD COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1 1826088114 RVJXYIHUALPBMW-LLVKDONJSA-N 447.521 0.541 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060450 IZEAACGWRRHUJN-YWZLYKJASA-N 429.326 0.124 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]n2)CC1 1827348254 GFTZXIPIXQQOBU-INIZCTEOSA-N 426.481 0.350 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829758185 CEMFUZOAKQYOHQ-BONVTDFDSA-N 448.343 0.433 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830537338 DHKPJKPWTFQJJF-MEDUHNTESA-N 431.287 0.216 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538484 GOGIOWHXDMRKHG-BZNIZROVSA-N 430.303 0.214 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)CCO2 1830718893 SLRGQXFKRMYTJX-NARAOEGZSA-N 446.928 0.286 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725023 CPDXKXXOWHYDIV-UGKGYDQZSA-N 436.936 0.774 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733984 XNEGPTWHINMBFM-FZKQIMNGSA-N 434.823 0.340 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738575 QCODYKPKIGVZRL-UZLBHIALSA-N 426.897 0.673 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)no1 1832930695 MVISFNLDRZTLSI-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)o1 1833308986 HJLCVPGHQIDEAC-HNNXBMFYSA-N 427.933 0.526 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1833501825 DKIXTNZCCIOWLT-IBGZPJMESA-N 426.901 0.820 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833503638 YOBVVJJROBWKHE-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826404 OXNVUGJITMVCMT-KDOFPFPSSA-N 443.342 0.994 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835628406 OYTMCLNWNQUQDD-IAGOWNOFSA-N 435.308 0.872 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1836227271 DUXPZOJTIXVFRP-SJKOYZFVSA-N 435.308 0.295 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1 1838352130 BSPRWEZFTFGHAO-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198085 SIGPCDFHZAJTCR-DYVFJYSZSA-N 446.273 0.851 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839216881 SQMFJRJNHKHZGO-OXFYSEKESA-N 426.897 0.510 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839715531 HUMYBXNYFHRLLT-ROUUACIJSA-N 433.336 0.884 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1840642084 FBBGBVPMMFVREW-UZLBHIALSA-N 426.897 0.673 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(N3CCCC3)ccn2)C1 1843507701 HYCUMXIEEULPCU-UHFFFAOYSA-N 428.537 0.872 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1843734793 BEVIKZDKOKMJAU-UHFFFAOYSA-N 442.520 0.067 50 20 ICGD O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1cccc([N+](=O)[O-])c1 10913434 GAPKDQQXLOUSDZ-UHFFFAOYSA-N 425.357 0.378 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 728176619 JHRJYJGWMKABDW-OAHLLOKOSA-N 431.536 0.050 50 20 ICGD Cc1nnc2ccc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn12 728214417 NTCQBWAQYWVDPN-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)c2cccc(C#N)c2)CC1 728951343 HAGZWKQPVBUDMN-UHFFFAOYSA-N 430.465 0.582 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 731492493 KIVBHECCQAOBKJ-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD O=C(COC(=O)c1cc2c(nc1O)CCCC2)NNC(=O)[C@@H]1COc2ccccc2O1 731740081 QTEKPTFTZQLSAQ-KRWDZBQOSA-N 427.413 0.810 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)c2)cc1 732282206 NCVOVLQWKNROBL-UHFFFAOYSA-N 430.442 0.818 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474792 WPFDPIOXOANNEG-BBRMVZONSA-N 446.501 0.412 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 734524554 GGAALOUYLCBIEM-HNNXBMFYSA-N 429.433 0.150 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 740853251 LSRYHGXCYFNDNZ-INIZCTEOSA-N 426.539 0.750 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nccnc2NC(=O)C(C)(C)C)c1 742471482 RCOUFTCUPCEDJX-UHFFFAOYSA-N 448.505 0.786 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN(CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1C 744402135 JZHRGXRSJNEXRY-CQSZACIVSA-N 431.580 0.906 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1-n1cncn1 745412766 TXLOJWCTJLLUCR-GOSISDBHSA-N 437.412 0.720 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 748241077 OXWJGWMIAICVGD-UHFFFAOYSA-N 436.896 0.971 50 20 ICGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)N1CCCC1 748247565 QRCLMCOGIIYLPW-CQSZACIVSA-N 435.506 0.054 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748360840 YOHQPIUQSLMAGE-UHFFFAOYSA-N 431.405 0.629 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748466188 WEMHAQSYDULFKZ-UHFFFAOYSA-N 444.467 0.669 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 749559639 CCPOJHZGLPMILP-UHFFFAOYSA-N 444.469 0.428 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccn(C)c1)c(=O)n2Cc1ccccc1 749853791 BQBDBEBDBKOPMG-UHFFFAOYSA-N 433.472 0.917 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C 758027954 AXTKXEOLIPIYNK-GJZGRUSLSA-N 426.539 0.639 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCc3c[nH]nc3C2)c1 758905772 KPYMNMDERGJJMP-HNNXBMFYSA-N 434.522 0.942 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n(C)n1 763530800 IBRVCPCNEKSQCS-UHFFFAOYSA-N 427.509 0.281 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccnc1Br 763806032 YJGBNMXPFHYAFN-UHFFFAOYSA-N 438.194 0.917 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 763811177 GJNLNVKEXUDMSI-UHFFFAOYSA-N 434.474 0.424 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763839498 HGQABUUKVCXLRS-UHFFFAOYSA-N 449.391 0.794 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)n1 763890624 DBYDQRGIKLUICL-UHFFFAOYSA-N 427.870 0.343 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)sc(C)c1C 763916172 AJDNTEYSVGFJFU-UHFFFAOYSA-N 443.445 0.527 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cc1 764002710 RBBGXMAEUMCFAS-UHFFFAOYSA-N 437.250 0.903 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC 764234553 GPSXXYYJTGMXRO-UHFFFAOYSA-N 445.457 0.728 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(C3OCCO3)c2)CC1 764281883 KCLUNPBHYMQWEB-UHFFFAOYSA-N 447.517 0.820 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncoc3C(C)C)CC2)cc1 765729349 PDRQDKRRVROTOS-UHFFFAOYSA-N 449.533 0.874 50 20 ICGD CN1C(=O)c2ccc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc2C1=O 766650320 KAHWQPASRNWXMU-UHFFFAOYSA-N 449.467 0.131 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4ccsc34)cc2)CCN1 766673984 RZYGZCIHEASTRA-UHFFFAOYSA-N 432.487 0.569 50 20 ICGD COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 769872452 QNQYMEMOZYRMTR-UHFFFAOYSA-N 435.231 0.732 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc1Cl 778441036 HRJISDUEGBRABW-UHFFFAOYSA-N 434.902 0.876 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 778441200 KEGADHJCZYAPKY-UHFFFAOYSA-N 446.439 0.831 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)o1 778645888 GAFIKLGYGXIXPR-UHFFFAOYSA-N 425.511 0.785 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)[C@@H](C)O)cc1 779535394 WQLZUTPOXCXBHB-CXAGYDPISA-N 441.531 0.570 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)[C@H](C)O)cc1 779538055 TXYHWSDQTRDIMD-GUYCJALGSA-N 441.531 0.570 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cc(CC(C)C)nn1C 782897375 OALSBNLGBLHVJC-UHFFFAOYSA-N 449.537 0.620 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783424961 GZAWNUBGFHPKJI-IBGZPJMESA-N 425.507 0.707 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n(-c2ccccc2F)n1 784005012 WKNACPFCKBIPCV-UHFFFAOYSA-N 428.380 0.429 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 784851243 IQTXQEPSJRQUSW-UHFFFAOYSA-N 425.405 0.848 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccc1Cl 788169136 IXLDVCWVGMGFBY-UHFFFAOYSA-N 431.946 0.972 50 20 ICGD O=C(NNc1nnc(-c2ccccn2)s1)c1ccc(S(=O)(=O)N2CCOCC2)o1 788566854 PPQVJRBGURVPBH-UHFFFAOYSA-N 436.475 0.971 50 20 ICGD CCc1c(C(=O)NNc2nnc(-c3ccccn3)s2)cnc2c1c(=O)n(C)c(=O)n2C 788567168 DIMUGJPKFMDPGG-UHFFFAOYSA-N 438.473 0.865 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 794064081 USBIDENLNHSTCW-UHFFFAOYSA-N 434.412 0.863 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c(F)ccc(I)c1F 794507878 IIQPJSNIDRHOIV-LURJTMIESA-N 431.202 0.957 50 20 ICGD CS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794598248 DMZWUZKRBHUGTP-UHFFFAOYSA-N 441.487 0.326 50 20 ICGD CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 795527002 HPQIQMSTLBWTCS-NSHDSACASA-N 448.295 0.548 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2nnn(C)n2)cc1 799457564 ALNMPVKJOOBZFE-ZROIWOOFSA-N 436.432 0.608 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cc(C(=O)O)c(C)[nH]3)CC2)cc1 800814654 TWEMLWFHECEIDW-UHFFFAOYSA-N 447.517 0.786 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c1O 806977584 PUZWANZBWIMVTP-UHFFFAOYSA-N 434.792 0.785 50 20 ICGD C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 811636151 AFECNYFIFQSPGM-LLVKDONJSA-N 440.526 0.320 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 813509508 WURNBHIODDHCDS-UHFFFAOYSA-N 443.891 0.452 50 20 ICGD CCn1nncc1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 814718487 YYZDOILFOOJQSS-UHFFFAOYSA-N 428.474 0.851 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 815693338 UBKISHCDNKLIEW-SECBINFHSA-N 442.810 0.924 50 20 ICGD O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CC[C@H](B(O)O)C1 864232579 BHHDGGSBTBRSKC-NSHDSACASA-N 431.117 0.923 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3COCCO3)cc2)cc1 915062186 HMXYTZQNCWZFJW-LJQANCHMSA-N 447.513 0.992 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)cc(C(=O)O)c1OC 917721381 WJNASHLTSXCYPA-UHFFFAOYSA-N 434.430 0.981 50 20 ICGD COCCC(=O)N1CCC(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 1319795495 XUXLOSNKTUAEFH-UHFFFAOYSA-N 438.481 0.684 50 20 ICGD O=C(NCCN1C(=O)COc2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O 1320550876 IGFSJKNBOXUMCR-UHFFFAOYSA-N 436.428 0.948 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091773 QJYQRXJYWMLFLX-MDRVXTDVSA-N 447.536 0.917 50 20 ICGD Cc1nnsc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1778240730 SRHCUICOJQBXTK-AUUYWEPGSA-N 438.554 0.347 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1783532081 CPDSBIHXWXXXCX-PXAZEXFGSA-N 428.283 0.623 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566817 KJBZJZABAWMCQG-FQEVSTJZSA-N 445.384 0.052 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)C1 1783875523 NLAODHJMCBLFHR-UZLBHIALSA-N 433.896 0.965 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934638 FTHFISLYZITNLY-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786980234 YCDHBNPKWACEAC-QRTARXTBSA-N 432.282 0.474 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787499917 FNJHMDCQZUCCBF-ORWNZLQRSA-N 430.958 0.786 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787509071 YUGUEORGOSSASN-GLYSVQQSSA-N 447.492 0.053 50 20 ICGD O=C(/C=C\C(=O)NC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788495552 RNXKDQJDZSKLIT-MIEXTIIISA-N 432.290 0.491 50 20 ICGD Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)sc2nccnc12 1792977679 ZMKGPRYOFCKFJQ-DTHBNOIPSA-N 425.898 0.076 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1793102269 KMMQSRLZSULMNE-XWCCPHMRSA-N 428.294 0.208 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C 1793831269 UNTOSEQFFYFHKY-UJMXGEILSA-N 435.952 0.887 50 20 ICGD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795722318 WCZVVSHXUOGJRM-QRJUGERDSA-N 446.976 0.706 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](N)c1cccnc1 1796132472 WXLFKNBUKFSPBN-YYAJDYIMSA-N 437.504 0.422 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188634 AXGYUBAMSDUXGV-AJYBTWMASA-N 432.351 0.878 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893617 VMOJBKFQTXDYPN-VQODFFIQSA-N 439.896 0.295 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1cccc(B(O)O)c1 1798495451 UQUWTKXASLJLTH-IYXXYTSJSA-N 429.282 0.147 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1799279395 MZDJFJMUMNIQKW-RERORNDZSA-N 433.292 0.387 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2)[C@H](F)Br 1799352011 IGDAQCHOEUAZIN-ZNLHFFCSSA-N 429.290 0.795 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800134775 HSAYMHRJNZMEEG-WJNVRWDZSA-N 425.848 0.325 50 20 ICGD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334569 OEFURMGCAPODSG-GDFINVHYSA-N 432.427 0.596 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(C)(C)C)n1)C2 1801009430 HOLLGFXPMSCMSC-CCWDJLKJSA-N 434.541 0.214 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1804507101 GUTBYOMZWGHINO-XMSQKQJNSA-N 441.536 0.816 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805518187 CGCHFGIGVZJANZ-CQSZACIVSA-N 444.941 0.283 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340420 DELVAABVXAKDNH-KEYYUXOJSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363251 CRASPLLFOCDHPM-OMMZEQHOSA-N 437.280 0.973 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H](F)Br)CC2)C1 1809969312 CIDOIQXKBQZXCI-HNNXBMFYSA-N 441.106 0.902 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471564 SXRUHARSMMWXSI-GOSISDBHSA-N 426.282 0.822 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402192 TWMNVCJLKQKVJX-MRXNPFEDSA-N 445.480 0.377 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)n[nH]1 1819994217 BWSNAVHHFGFQGU-GFCCVEGCSA-N 433.538 0.702 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822870825 DPGFMTYSOGLLFA-IHHMQQGQSA-N 446.276 0.899 50 20 ICGD COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1825769279 XIGNLKFDVGIUDC-JSGCOSHPSA-N 449.957 0.725 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826146147 NKRIKKNNZODUAP-YUMQZZPRSA-N 442.847 0.987 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054853 NCKPDAXXODKLRD-GOSISDBHSA-N 440.309 0.792 50 20 ICGD O=C(c1cc(CO)on1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056092 AUNPCDXDDRYTBM-HXUWFJFHSA-N 441.293 0.394 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1830535235 KDELSRVMTFXMDQ-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725612 KXVCJUQYFKEYHN-DNVCBOLYSA-N 429.876 0.209 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2ccccc21 1830727942 LFRGEOQZBQGBCQ-GHTZIAJQSA-N 435.908 0.848 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732822 BIQBQMZLNNAUIE-RXVVDRJESA-N 448.907 0.542 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1831646528 KVELTYZUYOCVMY-XIKOKIGWSA-N 428.873 0.365 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832018710 XZMBFOYKHJZIKU-QRWLVFNGSA-N 441.912 0.165 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681064 NLKFHCYOCPOIAF-VQIMIIECSA-N 427.885 0.171 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833041332 TYWCCWYSPXYIAC-YJBOKZPZSA-N 443.342 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649231 HKXXBBFOHNUSBG-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833785371 PAXIZKUGEHFAJG-INIZCTEOSA-N 430.868 0.897 50 20 ICGD CCO/C=C/C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738334 XGCPWDLPSVWKII-RIYZIHGNSA-N 444.536 0.421 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835803670 MLXWZWWJJNVTJS-SFHVURJKSA-N 442.614 0.955 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844051 COWYLQMGRXXEDK-ZWKOTPCHSA-N 430.977 0.727 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1836397382 YUWNYPAUZMTIMT-QZTJIDSGSA-N 430.977 0.727 50 20 ICGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836414113 WUNXHPYDPRYGSK-MRXNPFEDSA-N 435.338 0.775 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837710195 NFDISMTZZNEBMV-FQEVSTJZSA-N 438.601 0.808 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837713129 JCXCBNMLLMPKBK-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031883 FTXYLDAWIOBDJT-QFYYESIMSA-N 447.355 0.887 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1840135453 SMYIWYZNXFDQBF-HGHGUNKESA-N 438.908 0.436 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840200730 QXLSTARBTMTQSE-WWGRRREGSA-N 439.372 0.340 50 20 ICGD COc1ccc2c(CC(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c[nH]c2c1 1841382814 CMMIAMBENGWPGC-UHFFFAOYSA-N 447.300 0.916 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014338 YKPJRDSEALMJDK-UHFFFAOYSA-N 444.300 0.742 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038226 GWHQYJCNGHFHCZ-PXNSSMCTSA-N 445.564 0.943 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 10159667 NBEFCSDUJYEMFH-UHFFFAOYSA-N 439.428 0.786 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)cc1 726069875 VONFEGHFJRYXTN-UHFFFAOYSA-N 435.458 0.416 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018003 CLSNKBUTXMJDEY-MBNGJLNHSA-N 439.563 0.999 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 728312073 ACZFCIDAPKQWIC-UHFFFAOYSA-N 442.291 0.865 50 20 ICGD COc1ccnc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)c1 729220804 AALDIXCYOTXGJN-UHFFFAOYSA-N 447.521 0.560 50 20 ICGD CCOC(=O)/C(C#N)=C\NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 730940919 NWBJLDOTLXCWKZ-QXMHVHEDSA-N 425.423 0.503 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 742478722 POIWFONNLAQNMP-UHFFFAOYSA-N 428.478 0.398 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743829962 HYMWQSLYYNVEOH-UHFFFAOYSA-N 440.503 0.857 50 20 ICGD CCN1CCO[C@@H](C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 746095525 SNVGIUSCKXGICR-LJQANCHMSA-N 435.484 0.927 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746756663 ZSSXCNIEWNOLGW-UHFFFAOYSA-N 445.524 0.760 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 751324834 IEYMAMVVHAFHKT-UHFFFAOYSA-N 429.451 0.676 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(F)ccc2Br)c1 756102482 RGXJYJDHAVWZSV-UHFFFAOYSA-N 434.247 0.061 50 20 ICGD Cn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(-c2cccnc2)n1 758518000 NBVPDJYQVFOXRZ-UHFFFAOYSA-N 428.312 0.922 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 758775281 WHXOKSMQYPTYTD-NWDGAFQWSA-N 436.494 0.567 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 760196849 USBQCISBFRWJTJ-UHFFFAOYSA-N 444.469 0.790 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n1 760277550 MYBAXAVHOZHNMZ-CYBMUJFWSA-N 441.423 0.972 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 760432690 QRYMTEILRZJCIE-UHFFFAOYSA-N 433.465 0.814 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 762867510 WLWFRGNXFDPEHX-KRWDZBQOSA-N 446.533 1.000 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762936162 DTPRUBYGGKEXML-LJQANCHMSA-N 440.504 0.551 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572364 QUZAPMVCDIRAAH-QGZVFWFLSA-N 426.429 0.243 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 763658351 VCEIEMORPVBQEF-UHFFFAOYSA-N 440.456 0.983 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1 763678576 GORQMMGABFMLRU-UHFFFAOYSA-N 428.426 0.053 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 763772654 OHUDVZKCXZOVNU-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1 763821419 PRPITKGFPIGYSD-UHFFFAOYSA-N 449.485 0.583 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cccc1-n1cnnn1 763852580 YNKKQEIENZSQRC-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 763916593 HIPZJPYHBRIOLT-UHFFFAOYSA-N 438.423 0.801 50 20 ICGD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002376 LOAHIIXNXOODFG-AWEZNQCLSA-N 425.507 0.831 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Sc2ccncc2)cc1 764002688 QGHBXWHLNUEFHM-LBPRGKRZSA-N 434.499 0.753 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc21 764167634 LGFIKTFRYUNREL-GOSISDBHSA-N 435.440 0.477 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1 764177824 VUOXZNCCESSCOQ-UHFFFAOYSA-N 433.424 0.997 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764234825 KVLSGJRBRNGRAA-UHFFFAOYSA-N 441.469 0.741 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)Cn1ccc2ccccc21)S(C)(=O)=O 764242099 ARTIKHVCJFRHLO-UHFFFAOYSA-N 443.485 0.823 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cnn1-c1ccccc1 764260227 MSGKVOLPZNLEEY-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 764816592 IKQXROXWYUTCKA-UHFFFAOYSA-N 428.449 0.381 50 20 ICGD Cc1nc(C)c(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(O)n1 766664945 YVMSBKKQGDXMAE-UHFFFAOYSA-N 446.939 0.960 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 768565972 OAMPKVNTOKKLAE-NRFANRHFSA-N 427.461 0.975 50 20 ICGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 773495133 YRQZBGUGCHNUPC-UHFFFAOYSA-N 438.444 0.907 50 20 ICGD CN(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776214829 XNCWSFYKDODVOW-CYBMUJFWSA-N 435.485 0.398 50 20 ICGD Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777569 MTJPVGVWTPQNBY-UHFFFAOYSA-N 445.343 0.500 50 20 ICGD CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 777903782 BXJNZTKJADDVSJ-UHFFFAOYSA-N 442.494 0.805 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN=c3cc[nH]cc3)CC2)cc1 780762004 UAGQPOHLPGTPCY-UHFFFAOYSA-N 447.517 0.269 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nc(C)n1 783324736 BOAQUTPLSVVMIV-KOEQRZSOSA-N 445.505 0.988 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(F)cc1F 784003181 BJNUDFCMRLTLID-UHFFFAOYSA-N 440.384 0.329 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1CCc1ccccc1 784005350 WUASLFJRIZDOEV-UHFFFAOYSA-N 440.485 0.703 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 789811941 HJKPJENNZFWDSN-SQNIBIBYSA-N 427.461 0.721 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 790952814 VZKISDFMKAVQMD-LBPRGKRZSA-N 446.420 0.387 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794076002 KMZVLBANVJAVPF-UHFFFAOYSA-N 434.474 0.672 50 20 ICGD Cc1nc(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 797004873 OAWPEAZZQRDLCD-SECBINFHSA-N 425.492 0.142 50 20 ICGD O=C(CN1CCC(CNC(=O)C(F)(F)F)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 799171036 FKGXTNKETDRCMZ-UHFFFAOYSA-N 431.371 0.746 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CCS(=O)(=O)C1 800627012 DPOGYKDUSXQSPH-CQSZACIVSA-N 427.376 0.903 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCc2cnn(CCOC)c2)nc1 800734190 KNYYEYPXINUXEB-UHFFFAOYSA-N 425.515 0.781 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 811678459 WUVTXQVJZBMROD-ZDUSSCGKSA-N 437.540 0.085 50 20 ICGD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033660 FFFNNRNSEAEWKS-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc2NC1=O 813034128 ATXSFLYZUVPPJJ-LLVKDONJSA-N 447.473 0.738 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 818581025 SXJVYLBEDODOLX-NRFANRHFSA-N 443.435 0.861 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 823752609 NERTVWAMMVMOCY-RPLLJCPNSA-N 449.467 0.546 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 913430536 RHGWDWLKMKPXHI-UHFFFAOYSA-N 426.882 0.886 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnc3n2CCC3)c1 916235107 ACSOYIJUGCOYCJ-UHFFFAOYSA-N 435.510 0.399 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1C 916247177 FUPYWSXFWLKDRH-UHFFFAOYSA-N 439.520 0.919 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)[nH]c2c1C(=O)CCC2 916529448 ZAIZUPSOSSYVRJ-MRXNPFEDSA-N 427.413 0.986 50 20 ICGD NC(=O)c1cn(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc12 917392147 RTKPVXMWSFGGKR-UHFFFAOYSA-N 428.474 0.495 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 919834044 JEBQWBDKSGOOJR-UHFFFAOYSA-N 425.239 0.500 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N[C@H]1CCS(=O)(=O)C1 919886776 UTCIGRFTAKHUCZ-JTQLQIEISA-N 439.444 0.770 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886890 XEMHWSVDXMYIEM-LSDHHAIUSA-N 442.563 0.364 50 20 ICGD O=C(NCC(=O)N1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1318621065 PPSLSMRZTRHKCI-UHFFFAOYSA-N 437.522 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3)C2)C1 1780609537 XHIXCTXWNWHYCZ-NRFANRHFSA-N 427.436 0.582 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1782864841 XAQUGYIROIXJQB-ZZKIFARHSA-N 442.426 0.993 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1783940169 VCUZEURRULHUIB-HSZRJFAPSA-N 428.533 0.604 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783944312 XECSAWFJEAKTIQ-MGNBDDOMSA-N 445.303 0.626 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21)[C@H](O)CCl 1784090852 DKULVHMQZHSGPU-VIRABCJISA-N 426.901 0.118 50 20 ICGD Cc1ccn(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609967 HLLNIVAMWJTWJF-WBAXXEDZSA-N 440.504 0.239 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788750389 GTPWOOHBYTWAGZ-XAJHFOFHSA-N 425.913 0.643 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1789222297 PXOSFXOZQYELNO-YWKPPDPDSA-N 448.476 0.708 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1791249310 IHAPVKZSNMSVCV-MMWGEVLESA-N 448.797 0.575 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cccc1C=O 1791289073 IBHNBAUYYJNOQO-NEPXVJNWSA-N 447.536 0.214 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792983942 VQDMMZMUANATQQ-XJFOESAGSA-N 449.907 0.135 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H](F)c1ccccc1 1793717865 VZHYHAKEMGZDKX-PIKOESSRSA-N 426.253 0.280 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794110908 AVOCYNJNAQXDBL-XHSYRHOGSA-N 445.303 0.386 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOc1ccccc1 1795120900 LJIWISWGNMSOLD-FAQVEIGNSA-N 432.521 0.418 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795682460 RJQJZVVNKGIJCW-DOFKHENGSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1)C2)c1cccc(B(O)O)c1 1795738888 JHOGIPJHGRXCEA-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)cn1 1796565369 CZLGLOCKJIEGCT-IKVITTDRSA-N 440.294 0.855 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800939954 YNMHQSMBXAXLDL-NHYCVNRCSA-N 431.493 0.325 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1800973815 HUSFYVMNDRCTSG-KYHPRHEASA-N 445.907 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2 1801011634 SZPGUEURZBHASV-CCWDJLKJSA-N 428.493 0.139 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOc1ccccc1)C2 1801012994 JNVPYAGRWZZICY-FAQVEIGNSA-N 432.521 0.418 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801763122 XDFHZIZHPYHILU-BWKKGPAXSA-N 447.300 0.510 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(=O)oc1 1806116558 WZVUXKAAYZFOOS-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD CCc1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1807374053 GEEXUEQICDPADM-DYESRHJHSA-N 448.288 0.945 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1810298685 LPAOYIXUXUAIED-BEFAXECRSA-N 446.471 0.504 50 20 ICGD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304485 DPEGMDYOAONMJX-HOQGASMASA-N 438.488 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1813072330 AQRHTCHVNWTOCY-VGOFRKELSA-N 441.536 0.816 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCO1)CC2)c1cccc(B(O)O)c1 1815347597 GBNMUAKDYNMCIL-GOEBONIOSA-N 429.307 0.618 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc[n+]([O-])c2)n[nH]1 1816059018 GGSOWUVQZJRSAU-MRXNPFEDSA-N 429.481 0.722 50 20 ICGD O=C(Cc1cnc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817045105 LYQYMPNEOCEWPH-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404261 FRFHSMNWMMOZPE-CQSZACIVSA-N 444.452 0.070 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821526041 FUYLUENCZUTGHN-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1823563862 LWWPAXNUKTUBDP-LLHLLMPMSA-N 448.929 0.498 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824490733 UGSXUDMEAGBOQR-OXJNMPFZSA-N 441.532 0.957 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)NC=O)CC1 1827679337 YBGMIBUFPHELSB-ZBBDXVTFSA-N 444.536 0.875 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1830535294 LXGOZLCBZXCDGI-KSSFIOAISA-N 441.326 0.507 50 20 ICGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)C(=O)c1ccccc1 1831146103 ZPBDBFCQJCPNMH-YLJYHZDGSA-N 441.887 0.749 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3OC)CC2)CC1 1833972134 WAOYROQEVRUYOG-INIZCTEOSA-N 439.944 0.924 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3OC)CC2)CC1 1834083063 XGPXNSBMZABWFI-KRWDZBQOSA-N 441.960 0.868 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834627013 MZDSSFHVTXEIJV-KRWDZBQOSA-N 428.961 0.434 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835287389 ZUUVHZUGPLIYMS-PKOBYXMFSA-N 441.322 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2 1835901857 WZGMJYJKFZIXGO-ABSDTBQOSA-N 433.977 0.719 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccns3)CC2)CC1 1837352902 JUZCLKMMHJAQMN-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3nccs3)CC2)CC1 1837546072 UZIBONIBZKTULD-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837879625 YKYGFDGBRKZJCV-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1838595175 KGJJEWQTCGEERQ-KXBFYZLASA-N 442.299 0.881 50 20 ICGD O=C(COCCO)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1838646814 JTNFNTXHMPPNIM-HNNXBMFYSA-N 425.295 0.684 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)o1 1839197778 IFYMCNPDLZRWIK-MLGOLLRUSA-N 449.277 0.501 50 20 ICGD CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198508 GBVCVBVXHQPJDD-BBRMVZONSA-N 425.295 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840153180 GWUDTNPWEDZCNZ-KXBFYZLASA-N 437.884 0.053 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840248439 HHPIMAOZJNGRNL-UZLBHIALSA-N 444.887 0.433 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014811 DYCUTKUHLBUZQY-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1 1844376945 CKILXCFYCMNTPG-AWEZNQCLSA-N 429.590 0.927 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ncccn1)C2)NC(=O)NCc1ccccc1 1845038490 IPLXCQYUAISYAS-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 12746972 VLLWYMZZHYEDLN-OAHLLOKOSA-N 445.428 0.952 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)nc2ccccc21 26539143 CYVVJXQYKXCWAX-UHFFFAOYSA-N 433.465 0.771 50 20 ICGD C[C@@H]1CN(C[C@@H](C)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 726448962 LSVCHHVCRABTKL-MGPQQGTHSA-N 443.595 0.075 50 20 ICGD COc1ccnc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)c1 729229740 MYPIKJLYKMMLAL-UHFFFAOYSA-N 440.508 0.660 50 20 ICGD CC(C)(C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 731177070 GLDIDHCXQRNAEC-UHFFFAOYSA-N 444.513 0.546 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 731853284 YULLOOPYBXLSBR-UHFFFAOYSA-N 427.433 0.858 50 20 ICGD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 734221165 LNODPJLPLJRKPZ-GJZGRUSLSA-N 439.538 0.528 50 20 ICGD Cn1ncc2c(=O)n(CC(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)cnc21 734251597 JSBIGXLGRMJPAJ-UHFFFAOYSA-N 433.494 0.350 50 20 ICGD CCn1c(NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc2ccccc2c1=O 742243054 CIFMNKIZSHRDDM-JMDOCYRQSA-N 425.445 0.410 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742481564 ZLJHEYOONFRKLI-LTDCPUDJSA-N 445.472 0.798 50 20 ICGD Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C#N)c1 744402660 OTBIJUAEOJYMIE-HXUWFJFHSA-N 431.456 0.449 50 20 ICGD O=C(CNC(=O)Nc1ccccc1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621838 QYFQRBYSPHLMKX-UHFFFAOYSA-N 433.490 0.972 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1C 747719152 IAYJXBVNHUCLLJ-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247190 WFOAYEQAORMXRN-UHFFFAOYSA-N 430.914 0.754 50 20 ICGD C[C@H](C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 748828283 VZMVLRDDHCAGII-JPVFDVSWSA-N 448.426 0.851 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 753299286 QACDADXAWSMIHH-SFHVURJKSA-N 427.461 0.991 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cccn3C)c2)CC1 756358557 JTHYBNLSXVLIFJ-UHFFFAOYSA-N 434.522 0.818 50 20 ICGD CN(c1ccccc1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(C)(=O)=O 757661094 MDYLQEPPVLCFHL-UHFFFAOYSA-N 444.473 0.796 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 758050764 CNKHNWOSIMIXAW-NWDGAFQWSA-N 425.536 0.598 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758833933 NEENBJOYTHEGEH-MPBGBICISA-N 430.465 0.304 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2=O)cn1 760817510 NGWSXRREVXISHK-UHFFFAOYSA-N 430.446 0.441 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 761785916 LQEWXARXQOGAPY-UHFFFAOYSA-N 435.418 0.086 50 20 ICGD O=C(NNC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 763534958 OJRCUZOUKXHSHB-UHFFFAOYSA-N 449.467 0.969 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)C2CC2)c1 763561484 IGTOZXRUEXVHAQ-UHFFFAOYSA-N 425.511 0.279 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n1 763640316 XKCRKYHMGNFBSN-UHFFFAOYSA-N 429.355 0.713 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 763657436 MAMGDIMAXAIOPP-UHFFFAOYSA-N 442.428 0.812 50 20 ICGD CCc1noc(C)c1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797060 NCEXJOCCMOWIMM-UHFFFAOYSA-N 449.489 0.730 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 763918692 KIYUGOANWDCDQT-UHFFFAOYSA-N 434.449 0.595 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C 763932696 QZIGMXYFVBFRLU-UHFFFAOYSA-N 438.893 0.885 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)c1cnccn1 764033392 XLOQZYAYBPHDPX-UHFFFAOYSA-N 436.222 0.816 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1 764167646 JQZUWOYLRPLGPE-UHFFFAOYSA-N 434.474 0.458 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c(C)c(C)nn(C)c2=O)c1 764585600 QYSNUAUVVMGIDQ-UHFFFAOYSA-N 435.506 0.502 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCC(F)(F)F)CC2)cc1 765734276 XIJXJCPXMNZMGN-UHFFFAOYSA-N 436.456 0.791 50 20 ICGD O=C(COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1cccs1 767535071 ARGRJIQYEOLIJR-UHFFFAOYSA-N 445.501 0.576 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 767848516 AKQRQODRMAXGAH-UHFFFAOYSA-N 441.325 0.446 50 20 ICGD COc1ccc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 768152023 NNXSKLYNCOOUEZ-GOSISDBHSA-N 430.413 0.913 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 770356097 SGLAFCAXKYOOCI-DZGCQCFKSA-N 426.495 0.219 50 20 ICGD COc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)NC1CC1 771952712 MDKCVZZOYIDXFV-LBPRGKRZSA-N 441.506 0.875 50 20 ICGD CN(NC(=O)CCSc1nnnn1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776212224 HYEOCDVVYYAVNC-UHFFFAOYSA-N 428.519 0.328 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNc2cccc(S(C)(=O)=O)c2)C(=O)C1 776530691 XLLSGDOIDKIILC-UHFFFAOYSA-N 426.495 0.613 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783996730 LSIJDFVPRZVCRG-UHFFFAOYSA-N 443.504 0.575 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 784003186 QUUKMVOZTSNSMS-UHFFFAOYSA-N 430.396 0.461 50 20 ICGD N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 785248930 IYZPDWUGKPRSDC-KAMYIIQDSA-N 432.433 0.958 50 20 ICGD NC(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 786125718 LYUVSMMKWGKDQX-QGZVFWFLSA-N 443.412 0.085 50 20 ICGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2O1 787889025 HLSMMUNGRXURBD-NSHDSACASA-N 425.463 0.495 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 788230489 NOOAZONLHKQEKT-AWEZNQCLSA-N 438.531 0.878 50 20 ICGD Cc1nn(C)c(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 788275256 LUEAHQLUXGRYBV-UHFFFAOYSA-N 426.437 0.092 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 791012892 VOGPMEVTDRCWPV-UHFFFAOYSA-N 426.341 0.423 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(Br)c1 794887297 TXVBOOVWZKXNDF-UHFFFAOYSA-N 442.295 0.493 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccnn1-c1ccccc1 797368505 BUAINGAPDDJEAN-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 801082309 OIKLWKDKWFMDNB-UHFFFAOYSA-N 436.490 0.497 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)N=c1cc[nH]cc1 802031709 LAOWDVYOIJRSCY-UHFFFAOYSA-N 434.297 0.459 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nccnc3C3CCC3)c2)CCN1 805461151 UQWUBVKKSATTRO-UHFFFAOYSA-N 430.490 0.622 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)N1 806977467 KRUOAMNSYHWAMN-AWEZNQCLSA-N 430.804 0.761 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)N2CCN(C)CC2)cc1 807379347 XPPIOQJSIBQTNZ-UHFFFAOYSA-N 439.538 0.278 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1 807546523 WDHBPJVOSQLRII-CIQOGTPDSA-N 433.465 0.704 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=S)NCCc1cccs1 838843558 PLMCOBZZYJTFSD-UHFFFAOYSA-N 432.325 0.511 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)cc1 914612699 HHISKZAEVYCGER-CQSZACIVSA-N 436.490 0.764 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 914748168 LBLSBRPUODMOSY-UHFFFAOYSA-N 443.489 0.361 50 20 ICGD O=C(CN1CCCNC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 915259653 JDJRLLMRLYNRRV-UHFFFAOYSA-N 434.460 0.565 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)sc(C)c1C 916562728 XMVWUBZJEHPLLL-UHFFFAOYSA-N 436.446 0.651 50 20 ICGD O=C(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NC1CC1 916577569 MVKXSCSTBVMMQX-UHFFFAOYSA-N 437.522 0.474 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCN2C(=O)c3ccccc3C2=O)nc1 919788651 SEVOUOJYSAZETL-UHFFFAOYSA-N 446.489 0.691 50 20 ICGD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888970 JDGDTOAFNSNCSU-HUUCEWRRSA-N 440.522 0.640 50 20 ICGD CCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 921038331 SYOLHGFHNKYTLW-UHFFFAOYSA-N 430.483 0.597 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1116286795 WXLQAYABUPJBCL-LBPRGKRZSA-N 446.551 0.031 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(Cc2ccncc2)CC1 1317922983 KYTYWSBAXWIOOD-UHFFFAOYSA-N 445.549 0.983 50 20 ICGD Cn1ccnc(NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1=O 1319352786 IUOXSWLZPDLTMQ-UHFFFAOYSA-N 430.284 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778037855 ULASOLBPWNSWKH-QHCPKHFHSA-N 448.483 0.924 50 20 ICGD O=C(c1cc2ncccn2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778465387 LAGNKLVHUMPIHP-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779035442 HJAPDWPPOKILDL-QMHKHESXSA-N 437.500 0.932 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1780713513 WBWQNENKVWDFNP-COCCGSRQSA-N 437.368 0.329 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781095322 NEBOSMJZLYJUIC-KEYYUXOJSA-N 435.338 0.143 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nc1 1782210871 UVEOWLMGJFAELA-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782337508 QHUYLVPHZXPFDE-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783879392 ROTSFVSSCHGLBZ-QFBILLFUSA-N 436.933 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1783935529 VAENJIAOVOSSBS-IBGZPJMESA-N 436.538 0.232 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21)c1cccc(B(O)O)c1 1786982253 UXOYHDSKLZAZHW-LAQRGFTBSA-N 436.264 0.395 50 20 ICGD C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726713 OYWPYLPDJAOFEZ-UFYCRDLUSA-N 443.548 0.888 50 20 ICGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1791416946 VVMSLIYSIDMARW-FJIDUMEYSA-N 438.908 0.595 50 20 ICGD Cc1c(Cl)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792671691 XQSBKWXDPDLLBG-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2)[C@@H](O)CCl 1792978506 DWARMRFZMAMEMX-DJBIQUGXSA-N 441.824 0.126 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110098 KCBSTLCLYJAWIY-KARBZBNUSA-N 445.944 0.595 50 20 ICGD COc1cccnc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794302506 CRYPNRTXEWRULJ-REPLKXPHSA-N 437.305 0.655 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1C)C2 1796441267 PZTXSEWQPWCBMJ-QRUVTEGNSA-N 427.461 0.925 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ncsc1Br 1796492801 OJTOZSBYJOOAHE-UTINFBMNSA-N 438.731 0.709 50 20 ICGD Cc1cc2nnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)c(C)n2n1 1797441110 OBUMSCIJZMFNRW-MUJYYYPQSA-N 442.524 0.366 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(F)(F)C1)C2 1797748240 MPWTZGWSQASVGG-JFILPPLUSA-N 437.447 0.324 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1=O 1798207880 PKGRBXCJPICJME-MUJYYYPQSA-N 447.256 0.067 50 20 ICGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)nn1 1799348537 JMQRODQZHPGOOX-RDBQEKCUSA-N 431.262 0.769 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1800638982 FGVXURLJTQTLTB-OXIQGZBJSA-N 428.283 0.462 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800641482 BXDODDJERKJNKS-MIJXAVMKSA-N 429.319 0.083 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(F)cn2n1)c1ccc(B(O)O)cc1 1801188180 PNSLRRKKMRYHAO-BJWYYQGGSA-N 437.240 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1804896869 CSODVEWDNSGPIW-QRWLVFNGSA-N 443.508 0.213 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3ccc(Cl)nn3)CC2)C1 1809970828 BUCCWYKSHRJIHJ-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1811536196 RCLKNWYPVXQKNC-RXVVDRJESA-N 443.272 0.595 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)CN1 1812644183 XMNHUOVGSLFROF-DDHJSBNISA-N 427.274 0.914 50 20 ICGD C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815211426 HYLXGIXMTSZTJX-KBXCAEBGSA-N 426.282 0.987 50 20 ICGD Cc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354946 ITXNXQIZRRFIJC-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1815770317 GDHLITXTHAWHPQ-AUTRQRHGSA-N 445.249 0.690 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(Cl)Cl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817817031 SPKFMPUICHJNMA-SECBINFHSA-N 440.251 0.645 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561066 BOWQKCNCITWHMR-IUCAKERBSA-N 427.918 0.642 50 20 ICGD Cc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794928 HBGOAUSEQVDUMK-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822188842 OSXOIBVQRWWJTM-MWLCHTKSSA-N 444.286 0.728 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328600 ODEHZUACVBARGE-ZDUSSCGKSA-N 444.630 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1 1825694701 GVAQVRQHCBZQFV-JLNYLFASSA-N 435.550 0.996 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C1 1827056237 BPDYFBSRRXKRLR-IRLDBZIGSA-N 441.381 0.942 50 20 ICGD Cn1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)n1 1828925293 IZZFOOHLTMJYRF-IBGZPJMESA-N 439.520 0.966 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534873 DIQYGJBNAMWSAA-UGSOOPFHSA-N 448.358 0.389 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1830545582 LEKLULIKTYCDKI-JKIFEVAISA-N 444.330 0.327 50 20 ICGD O=C(c1cccc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728357 RWJALMOUHTZASM-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733029 ZSOWHHAYRAMRBU-APWZRJJASA-N 432.851 0.563 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166466 NAWZRVWQQNTCIT-ZLKJLUDKSA-N 447.248 0.540 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832502895 SVWOPZWCBSNYOJ-KNQAVFIVSA-N 436.936 0.774 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1833726941 UHMIFEFBJNIGNZ-INIZCTEOSA-N 445.992 0.649 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380819 IVUTWXMOZSIAOE-WMLDXEAASA-N 429.315 0.371 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835628408 OYTMCLNWNQUQDD-SJORKVTESA-N 435.308 0.872 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836116997 HJDNJYTZHJMXDQ-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n(C)n1 1836714956 FYZATKIPBBLFLM-MRXNPFEDSA-N 428.917 0.641 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)C1=O 1837137856 IWSVYZKYOPFOGM-KXBFYZLASA-N 439.827 0.426 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837672563 NZLMNTFZILQBLD-KBXCAEBGSA-N 448.358 0.533 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149865 URNPPVVOPAANBL-FHLIZLRMSA-N 438.352 0.594 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c1=O 1839150094 BSWCLKIBVBVFNG-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)C1 1839202010 QIZAJDAHXSGCMJ-GRDNDAEWSA-N 436.322 0.475 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839597991 LLOBCODCIBDQPX-IFXJQAMLSA-N 440.859 0.372 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840030950 BBIJHXYCEQGHAR-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)[C@H](F)Br)C3)CC1 1843838136 VYZYRZALEJSJLB-LBPRGKRZSA-N 440.335 0.552 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2)NC(=O)NCc1ccccc1 1845038957 MJFIIWZDLPIGPF-HDICACEKSA-N 429.521 0.307 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691406 WWLSZNKOISTHDK-IHRRRGAJSA-N 444.916 0.773 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 11388057 KVHBNYBJCWQJJC-UHFFFAOYSA-N 440.368 0.504 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 726165132 ZEVALQHAHSKABU-OKILXGFUSA-N 428.511 0.129 50 20 ICGD CCN1CCN(CCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1 728214831 VPJNTAZZTGRPQD-UHFFFAOYSA-N 438.598 0.093 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2c(C)nc3ccnn3c2C)n1 728729777 TZAHKLJSIPBAJX-UHFFFAOYSA-N 430.490 0.977 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 740657023 IFYGVGVTIMSURH-UHFFFAOYSA-N 431.442 0.864 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(COc2ccccc2)o1 742482743 JGKGZQJURWBZAU-RGCFKVTRSA-N 439.424 0.782 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 744383423 OFNPACGHFBRIHX-UHFFFAOYSA-N 441.513 0.467 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 744405806 XHZNXSNQPGJSKC-UHFFFAOYSA-N 436.428 0.685 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 746623533 MVMOKEMCSUNICN-AWEZNQCLSA-N 436.450 0.998 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)CNC(=O)c1cccs1 749367166 RNAXJCIIVVMOSB-MRXNPFEDSA-N 445.476 0.993 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)c1 749890106 JGCUZBKBGDOAMU-UHFFFAOYSA-N 449.475 0.708 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnc2c1cnn2C 752364001 HFJRTIMZTUKHJJ-OAHLLOKOSA-N 441.400 0.121 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CN1C1CC1 753942319 DEBCPKZVTATGGF-GJZGRUSLSA-N 437.570 0.269 50 20 ICGD Cc1oc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N(C)C 754202778 AHEKXZBEOOOBIZ-UHFFFAOYSA-N 444.491 0.708 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 756089333 DPRRJVVCRIUAPM-OLZOCXBDSA-N 425.511 0.792 50 20 ICGD CCc1cnc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 756163517 IUCOQTZFGNDXFC-UHFFFAOYSA-N 439.519 0.421 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccn(CCN2CCOCC2)n1 756644378 AZIMEUOINYHCFD-UHFFFAOYSA-N 426.275 0.772 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2ccc(F)cc2Br)n1 756769984 HIUFPHSDJZSNQP-UHFFFAOYSA-N 428.222 0.734 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(N)=O)nn3)CC2)cc1 757404022 JFIQGSOYUAPFDI-UHFFFAOYSA-N 446.489 0.322 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)n1 761100548 IQIBOEKATPOYDQ-UHFFFAOYSA-N 446.532 0.115 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762410478 WUMWCGQPMPQTHK-OQCWANEVSA-N 433.486 0.486 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1F 763809367 VTVLEQDEKISSKF-UHFFFAOYSA-N 448.432 0.407 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763864898 LYRPWCRTFIVBNP-LBPRGKRZSA-N 432.408 0.964 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 763892734 JPVQMSMDKZSMBP-UHFFFAOYSA-N 426.336 0.796 50 20 ICGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 764077711 MGSDDFXPWOZCNI-UHFFFAOYSA-N 433.442 0.667 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cn1)NC1CCCC1 764166584 DCRHNCKXMHTUBA-QGZVFWFLSA-N 440.460 0.032 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3scnc3C)cc2)CC1 764247640 VOHNPUKERYILFC-UHFFFAOYSA-N 430.534 0.989 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 767189677 OAKYHRDWEDSIBW-UHFFFAOYSA-N 445.545 0.616 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CS(=O)(=O)C(C)(C)C)cc2)CC1 767847206 WVSUOXAXUICLLE-UHFFFAOYSA-N 432.568 0.279 50 20 ICGD CSCCNC(=S)NNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 770247205 NTFOQVBHHMLRMB-UHFFFAOYSA-N 435.597 0.741 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 773419419 NEKAMYPELCHQBT-ZDUSSCGKSA-N 425.486 0.455 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1cccc(C)c1 773662132 UYGOSMMBAWWWDN-UHFFFAOYSA-N 426.477 0.842 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1OC 778140111 YISPOWQWXNBDKW-OAHLLOKOSA-N 444.452 0.620 50 20 ICGD NC(=O)c1coc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 779670376 NJWSRMPXCDYFEQ-UHFFFAOYSA-N 435.462 0.307 50 20 ICGD O=C(NN=c1cc[nH]cc1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 782014587 HJPPYOAQPFWXFT-CQSZACIVSA-N 425.492 0.118 50 20 ICGD COc1cc(Br)ccc1CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 782549890 LYOXSJOJSSELLB-LBPRGKRZSA-N 434.312 0.908 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Br 782968153 YMWKXKUANDRXQN-UHFFFAOYSA-N 437.172 0.832 50 20 ICGD CN(C)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 783009588 MXUXMXCARLCLBK-UHFFFAOYSA-N 439.538 0.136 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 784002965 YLNLBCQRSDQNRQ-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004202 KJJPZFZLTMYBPD-UHFFFAOYSA-N 427.417 0.452 50 20 ICGD COc1ccc(C(=O)CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 784625874 KESNRGZRSDMQDK-NSHDSACASA-N 443.478 0.193 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 785721088 ULVSRJWUOLVEGF-ZWKOTPCHSA-N 429.473 0.740 50 20 ICGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)CC2)C[C@@H](C)O1 786925527 DHMNXVLUHNXADM-YSRDQRMMSA-N 434.518 0.797 50 20 ICGD CCOC(=O)C1(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCC1 788670754 COUSDPLFROPMKL-UHFFFAOYSA-N 425.507 0.886 50 20 ICGD O=C(CN1CCc2ccccc2C1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 789970201 HIHVGPJAMWYXRG-UHFFFAOYSA-N 444.513 0.849 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cc1 791257234 BBUIAWACQQHUOX-UHFFFAOYSA-N 448.505 0.770 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNc2nc3ccccn3n2)ccc1Cl 792391950 MIOFFYMEKWEVMH-UHFFFAOYSA-N 437.869 0.715 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nc1 792401841 ZTPKEJDSJUZPAP-UHFFFAOYSA-N 431.434 0.348 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c1 792821536 VQXKEQHWNCPWCI-MRXNPFEDSA-N 427.438 0.824 50 20 ICGD O=C(CCn1nc(O)c2ccccc2c1=O)NNC(=O)CNC(=O)OCc1ccccc1 794062214 ZMVKLHIKINGPSD-UHFFFAOYSA-N 439.428 0.566 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794064102 VKXBQBULYNJKLZ-UHFFFAOYSA-N 438.437 0.885 50 20 ICGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794597415 SOJWQGXDXGEBHC-UHFFFAOYSA-N 446.485 0.838 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)C2=O 795169763 WVYBECCJIVQSAY-BFUOFWGJSA-N 437.522 0.881 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1F 801156439 ROTMFMXSNONUOU-UHFFFAOYSA-N 437.457 0.995 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCn2nc(O)c3ccccc3c2=O)cc1 802066985 GSYRYUDLWULNPM-UHFFFAOYSA-N 445.457 0.749 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)Nc1ccc2c(c1)OCO2 803395536 PSJTUJYMYVPNRG-UHFFFAOYSA-N 432.418 0.423 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)ccc1F 806974078 SSZZECHAWDQLFX-UHFFFAOYSA-N 442.400 0.038 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806977316 DMHDRTUDDDTJHI-INIZCTEOSA-N 440.387 0.569 50 20 ICGD C[C@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807476180 AKFNJAJQYBXQRJ-SWLSCSKDSA-N 428.536 0.403 50 20 ICGD CC(=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811631948 UFXOELDGKPIKJR-UHFFFAOYSA-N 429.458 0.621 50 20 ICGD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691879 DMSWDULDYHQYMX-ZDUSSCGKSA-N 441.492 0.920 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n(-c2ccccc2)n1 815693497 ZJJYQIGEXTVIMQ-AWEZNQCLSA-N 436.476 0.936 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 815751545 DFWSVCUUWNRUAP-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@H](B(O)O)C3)CC2=O)cc1 864233409 HGZGDTPEJZIVQF-GJZGRUSLSA-N 437.327 0.145 50 20 ICGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 918085454 WXIUVCUBCBFBIY-CQSZACIVSA-N 441.554 0.966 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 919954073 IAZVSBHYFJNQCG-UHFFFAOYSA-N 432.411 0.729 50 20 ICGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(Br)s2)C1 920239741 CAEVHODWHDLXNS-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 921298665 ILVXXGJINPPIDX-UHFFFAOYSA-N 426.495 0.757 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)CC(F)(F)F 1330878548 DHCIUSVHZICRSV-NSHDSACASA-N 443.831 0.973 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778916654 QMYXJNHBZVWFGO-HXOBKFHXSA-N 437.305 0.311 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)N1CCN(C)CC1 1780642075 KTKSGKIYEBLWRB-SPYBWZPUSA-N 435.396 0.940 50 20 ICGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1)NC(=O)NCc1ccccc1 1781087834 KTHQYIWJGYVWED-NJNPRVFISA-N 447.511 0.521 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781569507 HJIKRIUXTYMBMK-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781933449 VYVIIKNUBPGIEM-HXUWFJFHSA-N 440.447 0.487 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1783934972 OKNMZDMZCQQIEV-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1OC 1783935358 NLFDXBTYJZKDHI-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783964008 GVOHJVWDKOOVSB-JQCNWOQKSA-N 442.354 0.856 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)[C@@H](O)CCl 1784085142 CLQYNRCWDYSCFC-IAVJCBSLSA-N 441.956 0.357 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1789868067 LZSJQGKXGSZASW-PAKFGRKTSA-N 441.319 0.954 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922205 IEQUQMGYKBSRGR-QVSJOPQTSA-N 443.273 0.464 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4o3)[C@H]2C1 1790348471 MQJHLXHKKHOPHP-MPGHIAIKSA-N 443.504 0.794 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1792868614 GQVKNUUEDXPMOL-XHJNMGKDSA-N 439.372 0.288 50 20 ICGD CC(C)COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)ccn1 1792978180 JHIKGUCONNMPRZ-KYHPRHEASA-N 425.913 0.919 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736697 GKGHPDCYUIGAJL-ALOBAPJISA-N 436.317 0.682 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccs1 1795740924 PWWHORHHVYGZQR-JNNRSPCRSA-N 428.319 0.435 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1=O 1795889669 DURKJONDCVNLCK-YDOXXCSQSA-N 428.493 0.381 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796587633 IRHVOEKGPUBMTP-HLPPOEQASA-N 443.342 0.906 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccco1)C2 1797749754 NUXACRNTCURLRP-HBCWATKFSA-N 427.461 0.114 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798024780 XYOXEPOYEPCTHZ-POKDIBPUSA-N 440.460 0.124 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1n[nH]c2c1CCc1ncccc1-2 1798476113 JFJDICIJUVFVRW-CZAMWMTLSA-N 445.907 0.373 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1798544766 AIGWVFMADADBIN-UOHMRFDXSA-N 430.860 0.646 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)c(O)c1 1799847965 WWLLFDPRXPBXCB-BASYENTBSA-N 439.896 0.808 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1800759716 DFNYHFYDKRUXME-RPCDLPGOSA-N 442.354 0.760 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccc(C)cc1 1802120423 PQEQDIBYMCNPCW-ZMMAXQRCSA-N 437.924 0.568 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803136827 WLEHBHWFAMXJDW-KEYYUXOJSA-N 429.926 0.593 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371076 PCYRQJQZTTUCKT-FPOVZHCZSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373787 GOWBWPNYCUEHSQ-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808279179 AJVBXKFXUHABGO-QEJZJMRPSA-N 435.868 0.856 50 20 ICGD COCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299455 QOIVNNICZBESNY-KXBFYZLASA-N 426.477 0.436 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810542334 ZJYVPVNEGLTKBT-DAYGRLMNSA-N 447.568 0.537 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cccn1 1815361906 UAGNNQABUVNVLX-IUODEOHRSA-N 439.306 0.506 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820026517 NFIGQGPKHYRBKB-PWSUYJOCSA-N 435.872 0.858 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(=O)n2C)CC1 1825740345 NDTJTOCXPFMXNN-SFHVURJKSA-N 445.564 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828925596 MNQZVGCEMINJNX-KRWDZBQOSA-N 427.461 0.006 50 20 ICGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364481 MIFRNSQXPNDIPH-GOSISDBHSA-N 434.990 0.192 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1830533684 RQLFKXXMCWPOCN-QIIPPGSGSA-N 445.310 0.800 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722590 FFVPRWGDPOAVGM-QFBILLFUSA-N 431.316 0.939 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738666 RAVFPZBIXUZYCL-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830979 ODPGLYQJTUSUON-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD O=C(CCC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834670564 ITMHYPBRXQRINX-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834734395 VQCZFDDBHSUKRE-DLBZAZTESA-N 429.993 0.558 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835248433 ODJSZZZOYGPFEB-WMLDXEAASA-N 437.331 0.279 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)/C=C/C3CC3)CC2)CC1 1835734469 KTVSYFDGUPUASY-ONEGZZNKSA-N 440.548 0.837 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625700 HNCIFCSDJHUIDF-JXFKEZNVSA-N 438.912 0.884 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711683 NTTPXCGHEKUBHV-GOSISDBHSA-N 442.614 0.955 50 20 ICGD Cc1cnoc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921191 KEAAERXJOVUZOL-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cs1 1839199805 VEGZSKZVQUTTLJ-IINYFYTJSA-N 437.291 0.486 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840151407 AOEZDNNZFDANOG-ABSDTBQOSA-N 426.897 0.430 50 20 ICGD Cn1ncnc1C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924315 XHDGSOOCAKKNNW-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108675 PCLYFFAWMOSUJE-QLFBSQMISA-N 445.944 0.671 50 20 ICGD C[C@@H](NC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 727269929 CHEXQRHDMFGPFJ-CQSZACIVSA-N 440.591 0.934 50 20 ICGD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 729172431 WTVABMHFVGAUHP-OAHLLOKOSA-N 445.563 0.693 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 731543980 FGVLJCBJOVBEBC-UHFFFAOYSA-N 427.465 0.168 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 732236178 RUTVJSACUQAPNG-UHFFFAOYSA-N 446.533 0.971 50 20 ICGD COCCN1C[C@H](C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 734825387 ZMNYKYBWTGMXQU-CYBMUJFWSA-N 427.502 0.211 50 20 ICGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118347 SURRQSIPOLBPIX-HUUCEWRRSA-N 427.527 0.045 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cnc21 746907694 BNHHAWSPDMMHPG-UHFFFAOYSA-N 431.792 0.306 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 751211130 CHJDGWXIKFUWBD-SOUVJXGZSA-N 430.461 0.523 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cnc2c1cnn2C 752359441 FBERASYQAXHEQJ-UHFFFAOYSA-N 428.361 0.503 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 755545397 HUKZCHFRMMEYSN-UHFFFAOYSA-N 437.478 0.901 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cncn1C)N(S(C)(=O)=O)CC2 755571557 CNYGKAOEJQXMJA-MRXNPFEDSA-N 435.506 0.837 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 757403228 YCUPXNCQTDUKAP-UHFFFAOYSA-N 431.478 0.318 50 20 ICGD CCc1ncc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 757749920 YIKBMEHYYUTBKG-UHFFFAOYSA-N 434.478 0.526 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 757798905 FSKYKWXQBHVFMP-ZDUSSCGKSA-N 433.490 0.707 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC2=O)c(OC)c1 758827361 KMEFWPUGERJMHN-GFCCVEGCSA-N 427.417 0.238 50 20 ICGD O=C1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCN1 760265361 QWJRAQCQLQGSKP-MRXNPFEDSA-N 430.486 0.452 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 763174100 JCIVSERXYFDCOS-SFHVURJKSA-N 426.477 0.582 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)nc2O)c1 763509261 PZSMDOYIRKSAPE-UHFFFAOYSA-N 449.489 0.526 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 763674930 QHPXCLJSAYNMCL-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763941741 PLKDDGLROYLBRU-UHFFFAOYSA-N 443.847 0.720 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCC1CCCCC1)CC2 764214997 JVTWFRMJXXFYJC-UHFFFAOYSA-N 436.534 0.992 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)cn1 764220958 IBLYSZYNYYAERL-UHFFFAOYSA-N 427.248 0.678 50 20 ICGD Cc1nc2c(cc1C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)c(C)nn2C 765733649 OUMRNTWTZLZKSQ-UHFFFAOYSA-N 449.515 0.804 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2Nc2ccccc2)n(C)c1=O 766641365 XONBREJQRVHYCM-UHFFFAOYSA-N 447.455 0.639 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnn1C1CCOCC1 767005802 WKRKVTPFGRIURN-GOSISDBHSA-N 444.444 0.687 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nc1C 768036346 OYZYTXJVJFFJQN-UHFFFAOYSA-N 429.524 0.150 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 768630194 UWXDCZGNMLAMNK-IBGZPJMESA-N 432.458 0.910 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)N2CCOCC2)c(Br)cc1F 771144150 OLJKNLVEIYIMDG-UHFFFAOYSA-N 426.220 0.522 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 771216410 QNUFGRHNCJTHKD-HXUWFJFHSA-N 441.400 0.832 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)s1 772069554 MBRKAGKXHVXLMY-VIFPVBQESA-N 425.916 0.805 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772955241 SFDRMDJWPFBDAE-APPKXQKKSA-N 435.864 0.806 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 776530365 KGQWUMOXNIQXBS-UHFFFAOYSA-N 432.506 0.452 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784210249 KDBORXMVMKWJEQ-UHFFFAOYSA-N 445.501 0.845 50 20 ICGD O=C(NNc1cccnc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784843172 BUZKIUJIUXHDST-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)COCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 797455130 JCJQJPWXVYYYLC-NRFANRHFSA-N 447.513 0.806 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 800597512 XSLUSPZGCNCJKV-UHFFFAOYSA-N 449.489 0.723 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Nc1ccc(OC(F)F)cc1 802045574 SDOTVPYOHCTOCY-JQWIXIFHSA-N 446.432 0.476 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)ccnc1-2 806968888 RTNLFUALFUHHHE-UHFFFAOYSA-N 445.505 0.500 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NNC(=O)c1cccc(Cl)c1 814648084 KZPCYKWVMGPDTJ-UHFFFAOYSA-N 440.909 0.759 50 20 ICGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692736 ZSXJIEHQMKYYQA-OAHLLOKOSA-N 441.492 0.321 50 20 ICGD C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)C[C@@H](C)O1 874090223 BPRRAPWERCRVEM-MGPQQGTHSA-N 439.948 0.744 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C1=NN(c2ccccc2)C(=O)CC1 912852246 XBTWEUSVYUNNQD-UHFFFAOYSA-N 428.474 0.924 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 917197889 ROMXLJPWFHBRBC-ZWKOTPCHSA-N 429.498 0.565 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 917393785 WEEUGKHENRUPHI-MRXNPFEDSA-N 436.534 0.881 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919744015 JEDIYYDQIGXMEE-UHFFFAOYSA-N 430.490 0.606 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 919889524 NTSKWTYICWFQIW-NSHDSACASA-N 435.911 0.164 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2COCCO2)cc1 920854663 PBWKYZUQSNJNFW-XLCPLWEUSA-N 439.472 0.873 50 20 ICGD O=C(NCCCc1nnc2n1CCCCC2)NNC(=O)C1CCN(c2ncccn2)CC1 1116144739 BVBPUZFBXOKRJQ-UHFFFAOYSA-N 441.540 0.974 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 1317765574 SRMLVJSMINFHMS-MRXNPFEDSA-N 430.486 0.848 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C 1318703905 CZQZXWPSWJHQAC-UHFFFAOYSA-N 425.488 0.980 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2sc(N(C)C)nc2C)cc1 1341927389 DHFGGDHVJSBDCY-UHFFFAOYSA-N 425.536 0.908 50 20 ICGD O=C(c1cnn2cccnc12)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778445693 IIRJCRUQJFDUDJ-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1779036001 SPGDLPKGNSUWQV-XOBRGWDASA-N 433.534 0.272 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371144 IKEHFIPTNUZSCX-HYFFOGBASA-N 447.536 0.220 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1783422442 XGOYJMHMQLCUDY-HSZRJFAPSA-N 444.532 0.367 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784734359 YPYDNBMIYSBDHU-DHMWGJHJSA-N 426.311 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3CCCCO3)[C@H]2C1 1784959656 RZNPXCUMYGIXTH-QXGSTGNESA-N 445.520 0.238 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)s1 1785971419 URXADEZHEFMWFQ-BPUTZDHNSA-N 448.737 0.988 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786108219 MSFQEEDWVKWUOA-SKIHNHESSA-N 439.476 0.204 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792984099 YJQJHDFTXPALGK-IVSAIRAKSA-N 445.944 0.433 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)C(C)(C)C 1795113194 NGBKUPAKEJEUPR-OCVGTWLNSA-N 432.359 0.912 50 20 ICGD Cc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2n1 1795734778 PCVKGGDKYNDOKC-VPTLXERWSA-N 449.272 0.333 50 20 ICGD CC(C)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796190197 ZTKDUDWRCJCJTE-WKCHPHFGSA-N 427.354 0.739 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799264893 SCOJIINQNXZZMD-AICCOOGYSA-N 433.933 0.479 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799278460 HUEDEJRGRONUIR-RRHXEBKHSA-N 425.309 0.428 50 20 ICGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)c(=O)nc1O 1799282635 RACPJIMVCHFOCG-JPVZDGGYSA-N 447.319 0.083 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1800640289 PEYKWMFYQFWWEA-OXIQGZBJSA-N 437.356 0.656 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)n1 1800757709 OUSFSABWAXIAHA-XPCVCDNBSA-N 429.315 0.516 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1F)C2 1801012096 CEUXFJPMROTIGX-SLAYPKMVSA-N 442.438 0.680 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1803015594 RLLLVYMWRPFRTJ-VFTHGPRRSA-N 439.354 0.841 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805552921 SGXMVFJFRARWTB-RXVVDRJESA-N 445.288 0.493 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1805729827 SRJBHRNOUWHFQR-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363070 ALFZEWVSTYRUTD-HLAWJBBLSA-N 436.321 0.175 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1807519637 ZTRXRKCOWGARAR-VGSWGCGISA-N 441.536 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3cnn(C)c3)sc2C1 1815437733 LQVUWQJWXSGUNJ-CQSZACIVSA-N 447.565 0.794 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1820162881 UJDVIWDPJQJCMM-WDEREUQCSA-N 427.603 0.499 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824702062 DVLUOGHWDXMQMX-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD O=C(c1cc(O)no1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057884 MBMURAULELGAHX-QGZVFWFLSA-N 427.266 0.607 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705964 NFIBAPGREROXPY-QFBILLFUSA-N 434.002 0.899 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534522 AWSQPYJTKIITCV-IIDMSEBBSA-N 431.327 0.512 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732664 VAYZYMPHVNETBL-SCLBCKFNSA-N 448.303 0.413 50 20 ICGD COc1cc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)c1 1830733869 WMQSFRYHVSFYLH-UWJYYQICSA-N 440.924 0.982 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\C(=O)NC2CC2)CC1 1831873750 VUUNPXIUMGUDJD-QIBOZCLASA-N 447.580 0.814 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1)c1ccc(B(O)O)cc1 1834798554 KJVQOSZDUCSAOS-OAQYLSRUSA-N 441.337 0.244 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)o1 1836025064 FSDQCAYNIONMTE-ZFWWWQNUSA-N 435.250 0.067 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2n1 1836263690 KYIMQYWDOXNBLW-QRWLVFNGSA-N 437.880 0.806 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837180212 UEVXSZRKZNFCLR-UZLBHIALSA-N 436.896 0.887 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1837713104 HQGMVJBRQRSHGM-FQEVSTJZSA-N 436.585 0.751 50 20 ICGD CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054429 YYOGWJXPEATZGH-QFIPXVFZSA-N 447.536 0.199 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839963636 QTZSSPSTOGMAHU-SJCJKPOMSA-N 445.314 0.809 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840033458 FWBUAZDYJNFDQV-ZKWKGFFBSA-N 445.358 0.698 50 20 ICGD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CN1Cc1cccs1 1841350336 VUQIOEKXISLRMY-HIFRSBDPSA-N 425.938 0.900 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844254968 ZPYFWDPSGZQZME-UHFFFAOYSA-N 435.289 0.213 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CS[C@H]1CCCCO1)C2 1844264319 GASHVCZPQFPLFJ-KRWDZBQOSA-N 433.534 0.762 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2 1844331881 XNDCUHYOOYGPLJ-STQMWFEESA-N 438.326 0.829 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1844692327 LCILAUNNFTXOJN-UHFFFAOYSA-N 446.460 0.669 50 20 ICGD O=C(C[C@H]1OCCc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847756290 JJIKKNGYWMQUKA-FDFHNCONSA-N 434.301 0.886 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)c1cnc2n(c1=O)CCS2 15709607 OQMQHBLZRMVISF-UHFFFAOYSA-N 425.264 0.952 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)OC(C)(C)C)c1 725897967 NNHQJZCACUQISM-UHFFFAOYSA-N 428.511 0.943 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 728855845 CYGXJVBYLMQXCZ-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 729397336 VUAGCOKIJSQLBT-AWEZNQCLSA-N 447.473 0.781 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c[nH]nc2C)cc1OCC 732084100 LEOHDENVGYAWSW-UHFFFAOYSA-N 425.467 0.255 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 732573297 NSADGZBDOHQAAI-LBPRGKRZSA-N 430.490 0.186 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2cnn(C)c2)cc1 735445974 MTDVPIIRSIOWAD-KRWDZBQOSA-N 433.490 0.627 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2cccnn2)c1 736704414 XWJLTZYQVLRNDH-UHFFFAOYSA-N 430.284 0.921 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNc3ncnc4[nH]cnc34)CC2=O)cc(OC)c1OC 740745943 GWDSCIWIRLYVLK-JTQLQIEISA-N 427.421 0.875 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 741359142 FTXZUZZFXHXXKW-HNNXBMFYSA-N 449.464 0.977 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 742503462 ZFDZLMFEFIBYIB-GFCCVEGCSA-N 444.469 0.736 50 20 ICGD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744402229 KUDUUPCAERNOEF-FXAWDEMLSA-N 440.548 0.632 50 20 ICGD CCn1c(NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc2ccccc2c1=O 747765360 YOULBDUGOAISQN-UHFFFAOYSA-N 435.444 0.427 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCC1 748245975 BDFKXTJPONDOHF-UHFFFAOYSA-N 426.470 0.384 50 20 ICGD CCc1cc(N2CCC(NC(=O)NNC(=O)CNC(=O)c3cccs3)CC2)ncn1 748664505 WXXTVCPTFDOLOS-UHFFFAOYSA-N 431.522 0.830 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 750268382 RWJXJIIZFVIHHR-HNNXBMFYSA-N 430.469 0.958 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CO)n2CC 753444669 OLSMZSLRLVTQRF-UHFFFAOYSA-N 425.511 0.159 50 20 ICGD Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 753779781 MYYJPBCYGBVSSX-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc2c(cc1Br)OCCO2 755445967 JKZPDECSERRWLA-QMMMGPOBSA-N 434.268 0.808 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 755534040 NRWQDJXUHVAAQF-CYBMUJFWSA-N 435.462 0.789 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 756390169 FZGUNBQWAVUMGG-UHFFFAOYSA-N 429.433 0.532 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3ccccc3F)cn2)CC1 756547385 BYUORIWQIVFMAY-UHFFFAOYSA-N 436.469 0.769 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cncc(N2CCOCC2)c1 757039237 LPKWBIQWQLXNHE-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD O=C(COC(=O)Cc1ccn(-c2ccccc2)n1)NNC(=O)[C@H]1COc2ccccc2O1 757166873 YJTOSPYUNCTURX-LJQANCHMSA-N 436.424 0.945 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)o1 757628478 JYNAEPCAEPKJIJ-UHFFFAOYSA-N 428.405 0.547 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 758024447 GGLPSSUXDIYFSU-MRVPVSSYSA-N 426.373 0.496 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1nnc(O)c2ccccc12 759691801 YYICAIZYMOYGEF-UHFFFAOYSA-N 443.441 0.105 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccn3ccnc3c2)cc1 762396984 HNBPAJIDWXTARZ-UHFFFAOYSA-N 430.490 0.794 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)no1 763508392 IAAMOYGIRZGACD-UHFFFAOYSA-N 437.478 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 763572604 MVNXILNOIRRKOK-IBGZPJMESA-N 448.435 0.823 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)cc1 763860520 IHJSETYPJRARGR-CQSZACIVSA-N 442.472 0.927 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1 764124729 OMXDUAXAYDSEKR-UHFFFAOYSA-N 437.840 0.940 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br 764292477 BKEALQKEBGVALQ-UHFFFAOYSA-N 446.265 0.746 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764296617 BVWUXLGDYNJDET-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cc21 764370955 UFFHDROQIJSYEN-UHFFFAOYSA-N 434.355 0.800 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C(=O)Nc1cnn(CCN2CCOCC2)c1 764413038 LLFRLBZWTPDPFK-UHFFFAOYSA-N 438.847 0.408 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)NNC(C)=O)c1 765111656 JSKNJAMOZVWKGG-UHFFFAOYSA-N 426.543 0.642 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCNC(=O)c3ccco3)CC2)cc1 765754316 JYBGXYMVWGDBPO-UHFFFAOYSA-N 427.505 0.673 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 766649043 MGWXQWHIJFJDDN-LJQANCHMSA-N 429.565 0.907 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1(C(=O)NC2CC2)CC1 766660602 OPOVYLMZLQOYAN-UHFFFAOYSA-N 433.940 0.664 50 20 ICGD NC(=O)NC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 767190201 UIKWMERYEOOFFO-UHFFFAOYSA-N 431.474 0.127 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)ccnc12 769849314 JZMOOVGWQFVRRZ-UHFFFAOYSA-N 446.445 0.218 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 771939811 OKJTWQHANXCZQD-CYBMUJFWSA-N 442.490 0.747 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)(N2CCOCC2)C1 775150931 CNRXLCSFGROQIM-UHFFFAOYSA-N 444.536 0.716 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 776077009 PRAOIFKUZPHHJD-BEFAXECRSA-N 425.507 0.695 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)[C@@H]1OC 776523236 KGADJXUXVINRTL-ZACQAIPSSA-N 442.538 0.854 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn3c(n2)CCCC3)c1 779828913 ASAKDWSUHDJSDK-UHFFFAOYSA-N 427.508 0.093 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 780440338 STMXWCKRHMJRCJ-INIZCTEOSA-N 425.449 0.613 50 20 ICGD Cn1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 782548583 HCPSMBODBFOPSK-UHFFFAOYSA-N 427.486 0.902 50 20 ICGD O=C(NNc1cccc2c1CCCC2)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 783451567 PUOZSJHAAYVOOO-UHFFFAOYSA-N 426.477 0.703 50 20 ICGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704674 QMNPLVWEYSVVIS-CYBMUJFWSA-N 435.547 0.196 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)n1 785227016 MUAODWVSOCCZFR-UHFFFAOYSA-N 426.481 0.930 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2c1=O 789736165 YNJHCMDOLBDAAO-AWEZNQCLSA-N 427.461 0.952 50 20 ICGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2C1 797369314 SGMSUAQHWAKAOR-SFHVURJKSA-N 440.456 0.813 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1 802064464 RPJMSHSLXAJBEO-UHFFFAOYSA-N 431.430 0.359 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 804867593 VOAUISBFJAYQHO-GFCCVEGCSA-N 426.417 0.527 50 20 ICGD CCOC(=O)N1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 807007781 OTBXJPBNVNBPBH-UHFFFAOYSA-N 426.499 0.545 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C(=O)N=c3ccnc4n(C)[nH]cc3-4)n[nH]2)c1 807021180 LBZCYFRGQFNWPP-UHFFFAOYSA-N 432.444 0.748 50 20 ICGD CN(Cc1ccccc1N1CCOCC1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 807134784 FUWMIIQXGBQWJX-UHFFFAOYSA-N 436.476 0.985 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(Br)ccc1OCC(=O)O 814835646 XJKYSLCWZVMAQC-SECBINFHSA-N 436.284 0.690 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2nnn(Cc3ccccc3F)c2C)n1 815567361 VSLRGFYHEJGHTA-UHFFFAOYSA-N 428.428 0.373 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)nn1-c1ccccc1[N+](=O)[O-] 816883507 DVXYIQJFMSCZOV-GFCCVEGCSA-N 438.404 0.064 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cn3cncn3)cc2)cc1 849204320 XFMXKJYHRWGZNI-UHFFFAOYSA-N 442.501 0.868 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)NNC(=O)OC)c1 915315323 ZMWQCKGIUYJCQM-UHFFFAOYSA-N 442.542 0.861 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2O)cc1S(=O)(=O)N1CCOCC1 918340650 AQZVGACZGIFSIO-UHFFFAOYSA-N 449.485 0.805 50 20 ICGD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 919712256 FMLXJUALMFNFST-KRWDZBQOSA-N 439.472 0.547 50 20 ICGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)COc2ccc(Br)cc2)C1 920238880 MBZSQMCNMFECGN-LBPRGKRZSA-N 449.327 0.582 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1NS(C)(=O)=O 933191063 YQPJNGAVQFLNSQ-UHFFFAOYSA-N 429.458 0.688 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 1325833436 JGYKBZJEZVWPIB-UHFFFAOYSA-N 435.238 0.362 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778542719 GYPOBAAGFOEXQM-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778695941 PPTCDDCGCYQLBU-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1779032640 VVVPPSSNRUPHKO-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)C1 1779371923 VWISXZOSQQIQKF-XMSQKQJNSA-N 427.505 0.779 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529035 WVOGRLLQMDOIIO-MGPLVRAMSA-N 427.255 0.402 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ccc(-n2cccn2)nc1 1779811552 NAMNCBSCJPYTHY-CSODHUTKSA-N 447.923 0.995 50 20 ICGD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780087789 XYHCRYPJYQTMNN-HNAYVOBHSA-N 439.852 0.573 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1OC 1780657887 DNBRHHSABBFYLC-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD O=C1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CN1 1780770210 IISWIXRYXAFLHM-GMIGKAJZSA-N 434.306 0.717 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210300 NWSVVTYGLLFHBR-JRYVEOFUSA-N 426.558 0.280 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1783354052 MTILMEDLUGAVAC-CXAGYDPISA-N 427.299 0.859 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1783964692 ZCOGKXIRFAJYJP-MRLBHPIUSA-N 430.343 0.523 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C 1784922433 VHPMVABRFBWIBK-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD Cc1c(F)ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1N 1786948874 WYNHUDJVQCCQPK-ZVZYQTTQSA-N 449.527 0.683 50 20 ICGD CCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1787230123 NVUSVZMCZOCFSJ-CUWPLCDZSA-N 437.305 0.231 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788610560 GIPGMMDPBLUANN-YYWHXJBOSA-N 447.495 0.330 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)C3=NNC(=O)C3)CCC2)cc1 1789521609 QRRRQQLZAGYVIC-UHFFFAOYSA-N 435.444 0.309 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]3C2)n1 1791253929 FQIRCGHJUMMASO-JKQORVJESA-N 428.917 0.377 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791257292 XCHDKKIQMPJIEF-SMSYFYOWSA-N 449.932 0.063 50 20 ICGD CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795579259 OWZAEWDZNFVAHY-REPLKXPHSA-N 430.553 0.532 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)C 1795709520 PMKKQWUGNAYFEQ-ZPHZMXASSA-N 432.525 0.098 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccsc3[nH]1)C2)c1cccc(B(O)O)c1 1795741282 RWIMPQZCKWZATQ-JLVBRIDZSA-N 439.302 0.426 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192020 BPDAYBSLVDVPOJ-LJDSDSDDSA-N 440.305 0.374 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798714655 RQERFOYNFNSEIE-LURQLKTLSA-N 440.220 0.810 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2)NC(=O)NCc1ccccc1 1799097890 WHGFTJREBHJYJL-IZZQQSIFSA-N 447.511 0.424 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2 1801011682 YQKRTLCSHNARLM-CCWDJLKJSA-N 428.493 0.139 50 20 ICGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1802902280 KMLUJSVXZWHXSI-HOCLYGCPSA-N 438.912 0.895 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977549 DQWJAPXBXGEEMD-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1 1813069277 WNOFKSCTQCAIJN-NDXORKPFSA-N 443.504 0.787 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815817719 UJDNQWFCXDQVDR-OLZOCXBDSA-N 425.833 0.806 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)c1ccc(B(O)O)cc1 1817469801 DZPHPJNCRZCYJY-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470435 QZMTXOALWVCHMF-WMZOPIPTSA-N 441.297 0.310 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470925 MXGFDQGZUPJYOI-GOSISDBHSA-N 436.281 0.601 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473286 NLGGDDPCOXFUFP-INIZCTEOSA-N 428.254 0.349 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475217 LIIYYSRRMDCHOX-DLBZAZTESA-N 446.338 0.509 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1 1817643017 DLLVAIVSZQUDHT-GOSISDBHSA-N 436.281 0.601 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CC(=O)C2)[nH]n1 1819404143 AXEOIVUBPMTCGG-MRXNPFEDSA-N 425.449 0.693 50 20 ICGD CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791546 PUZULSHJCUMEJH-SNVBAGLBSA-N 427.490 0.917 50 20 ICGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1)C(=O)O 1823003938 OGPINQHFXWWKMF-FMTFEUNWSA-N 437.291 0.808 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830760403 DQNKZCJKPCHPHE-KEYYUXOJSA-N 436.322 0.618 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486911 CVKIWQXNXNDJRF-QZTJIDSGSA-N 433.977 0.147 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831643958 MDZUMDXBLOTLAH-YJYMSZOUSA-N 440.884 0.652 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831647833 ZBZOPNBATYBZFK-NQIIRXRSSA-N 445.004 0.488 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1833091378 FYUNEZDYJVAWQF-ROUUACIJSA-N 433.336 0.884 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313729 PEPJXIMLJYDLRG-INIZCTEOSA-N 431.961 0.747 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833387427 MREXHKSHCJPJJU-INIZCTEOSA-N 430.933 0.264 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1833860361 IIKVSAPSMZFDRE-IBGZPJMESA-N 428.917 0.764 50 20 ICGD CC(=O)C(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1834384076 OCNPUBYWECHIEC-ZVHZXABRSA-N 430.509 0.281 50 20 ICGD C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(F)(F)F 1834819683 SPLBWHHXHSMDTL-ZIAGYGMSSA-N 447.248 0.541 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@H]1Cc2ccccc2CN1 1835084921 QZAVNDBXNXOWQS-RTWAWAEBSA-N 448.995 0.872 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)C 1837224447 QYRVKTXXEUTAJW-GUYCJALGSA-N 425.309 0.834 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc21 1839527824 SGMUMKWXYUTUEY-GHTZIAJQSA-N 436.892 0.485 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839963217 DWCAMVARLQEDCQ-CXAGYDPISA-N 427.299 0.720 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)on1 1840031023 DCZFDPNTNXXEHP-GUYCJALGSA-N 430.299 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840032362 WKWYBFZKJFBMTD-LRDDRELGSA-N 432.340 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840151531 FPXNFHODAHFGFK-SQGPQFPESA-N 440.928 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840153510 QKVZVXHQLFETBJ-IFXJQAMLSA-N 443.884 0.562 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cc3ccccn3)CCO2)C1 1840335595 OYRWPUATXQUKJP-MDKPJZGXSA-N 439.940 0.970 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326539 QNZXSIPGDRTTBL-RYUDHWBXSA-N 434.331 0.859 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1843335328 HAIDYQRPGITPLC-STQMWFEESA-N 445.948 0.769 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2=NO[C@@H](c3ccccc3)C2)C1 1843862418 JFVQGTDRWXAIKD-HXUWFJFHSA-N 433.273 0.701 50 20 ICGD CCn1c(NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)nc2ccccc2c1=O 9857465 NZHMVEMQAAINQJ-UHFFFAOYSA-N 440.485 0.988 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 726075730 DXKZOZIEDLVZJI-UHFFFAOYSA-N 444.579 0.504 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 728944990 QSQPSSMUHQIXDD-MRXNPFEDSA-N 445.524 0.156 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NN=C2CCN(CCN3CCOCC3)CC2)ccc1Cl 731557177 CSQAXVAQHVKQQW-UHFFFAOYSA-N 443.957 0.501 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)cc1Br 732242061 VWCGMXDFJPUGBE-UHFFFAOYSA-N 437.316 0.683 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1 732999436 VNVXKRLVYXDYEC-UHFFFAOYSA-N 431.946 0.862 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)NCc2ccco2)CC1 734824591 DZNCPUWSVOKYGR-UHFFFAOYSA-N 438.485 0.809 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)s1 744619655 UVEVCLRTKHCVOM-UHFFFAOYSA-N 446.532 0.173 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 745992027 RWMWUKLOWFLNGB-UHFFFAOYSA-N 429.458 0.934 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 747176720 GSTCCAMCPPBOIN-UHFFFAOYSA-N 434.499 0.644 50 20 ICGD CCc1c(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)[nH]c(C)c1C(N)=O 747915299 IVFBOTBBORGPJF-UHFFFAOYSA-N 435.506 0.762 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)Cn3nc(C)cc3C)C2=O)c1 747957333 ZGVCBAIGVCHYET-QGZVFWFLSA-N 430.465 0.653 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 748214904 YPENZANNVOAPKA-UHFFFAOYSA-N 431.405 0.872 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2S1(=O)=O 751206185 GDVHNXDPOWJWAJ-UHFFFAOYSA-N 436.471 0.104 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755533259 IJYAGUBXIWWSGA-ZDUSSCGKSA-N 446.551 0.741 50 20 ICGD O=C(CN1C(=O)CCc2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 758522067 DEJNWCRUYULXCN-UHFFFAOYSA-N 430.324 0.792 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@]12CCCO2 759211554 LVUBAPQYSAZSAB-PJIJBLCYSA-N 439.538 0.959 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1C 763850590 OTKNVXLRKKNGAT-CQSZACIVSA-N 442.476 0.332 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)cc21 763893209 PFHXVKSATIZXRD-UHFFFAOYSA-N 427.465 0.378 50 20 ICGD CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1Cl 764204622 WNLICJIBDLKSGH-UHFFFAOYSA-N 427.889 0.235 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1-n1cnnn1 766643695 RKSILEWVNFGSLM-UHFFFAOYSA-N 448.487 0.190 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Cl 767270097 ONEDOIXWDNZJBA-UHFFFAOYSA-N 439.877 0.843 50 20 ICGD CCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771254168 VRQZJRIKRLTOSK-INIZCTEOSA-N 426.271 0.957 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccnc1C(C)C)CC2 773992295 NXEWITRPTZXFAS-UHFFFAOYSA-N 432.506 0.931 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 775222174 IWVHAQSZETYEBD-SMDDNHRTSA-N 443.298 0.936 50 20 ICGD CC(=O)c1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(C)nc1C 777144742 KDSNJBIOAWESBU-UHFFFAOYSA-N 446.533 0.989 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 780315748 XAFVHIZSVKXMJJ-LJQANCHMSA-N 429.565 0.989 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)nc2ccccc21 782892971 GVSFOEXLXVXOKE-UHFFFAOYSA-N 436.428 0.859 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971868 ZQVLPTSELDLKLO-WBMJQRKESA-N 428.436 0.838 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2cc(C)ccc2C)[C@H](C)O)cc1 791785343 MVEOQPSAESAPBE-OXJNMPFZSA-N 449.529 0.866 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cnn(C)c2)c1 792773641 ILMUICIOXHFFDF-UHFFFAOYSA-N 435.506 0.875 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 799669739 FFUYCYZFPUPMTL-UHFFFAOYSA-N 441.460 0.953 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1F 801103624 KJJVBIXXFBLKMZ-UHFFFAOYSA-N 447.448 0.398 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 802331778 QMXZFFZKEBLKEK-AWEZNQCLSA-N 427.417 0.468 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 806972587 DIAUPJVJPYRHKK-NSHDSACASA-N 427.339 0.673 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 806972749 KDQASCGHFNZRGW-KRWDZBQOSA-N 426.429 0.704 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(F)c(S(N)(=O)=O)c2)c1 807949220 FLCWMESPVHGDGY-UHFFFAOYSA-N 428.467 0.487 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CC1CC1 819132107 ZLZSHDQMONBZAW-HMWXGYMHSA-N 443.547 0.328 50 20 ICGD Cc1cccc([C@@H](CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)NC(N)=O)c1 914339430 NFHORZODIKBOEI-CQSZACIVSA-N 432.506 0.849 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1S(N)(=O)=O 915594401 OMAXECDIPKSJEA-UHFFFAOYSA-N 425.394 0.214 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)n1 916295537 NEKWNSSXZJADGQ-UHFFFAOYSA-N 428.902 0.462 50 20 ICGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 917737769 ODEQMADZGQQOSC-UHFFFAOYSA-N 437.499 0.629 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 918091105 PEHRAYKCURRDSG-GOSISDBHSA-N 428.445 0.872 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 918285601 PNCPLHXDQOPGLY-UHFFFAOYSA-N 439.444 0.757 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 919809776 GTDBRWIICTWQKH-UHFFFAOYSA-N 441.491 0.132 50 20 ICGD CCCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 921041629 GHTCYUJNUFVDMW-CTXBLAANSA-N 446.551 0.120 50 20 ICGD CN(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1320882316 QTCBVRGCKSIBHM-CQSZACIVSA-N 444.554 0.837 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNc3nncc(N)c3Cl)CC2)c1 1324008321 CROGPPUDIUWUPE-UHFFFAOYSA-N 439.929 0.616 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cn2c(=O)oc3ccccc32)CC1 1328575862 MXFYXIDETQWFOP-UHFFFAOYSA-N 446.489 0.069 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1337259984 HATCZWAUBSPXSF-DNVCBOLYSA-N 425.507 0.695 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C13CC(F)(C1)C3)C2 1779371348 RFTLTNPQQONCGP-AVGYWBNQSA-N 445.495 0.705 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374784 FDYDHYQHBBDJCO-GKIWIXTESA-N 445.520 0.428 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528984 VXIVUEZAPLBDGD-SUMWQHHRSA-N 441.282 0.792 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1783354055 MTILMEDLUGAVAC-DYVFJYSZSA-N 427.299 0.859 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)[nH]c1C 1783531588 AFDIRWHZDKQPRJ-BMLIUANNSA-N 427.299 0.614 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)no1 1783534603 WWPKSAUXSIRLFH-YVEFUNNKSA-N 443.298 0.326 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1783873807 UVBFWKNOVSEFNQ-DJJJIMSYSA-N 442.900 0.860 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1783879774 AUQGKWHLSAHKFM-XLIONFOSSA-N 433.896 0.965 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784207547 YDXSWPKVMZEJDY-UUOWRZLLSA-N 436.317 0.689 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(C)n1C 1786980926 FKKAVLSGMINBCY-YYWHXJBOSA-N 439.321 0.229 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287463 ODINRLCRNOEENP-VIMZNKNYSA-N 435.315 0.365 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796294716 GKXSJFDMLIXKOD-CRWXNKLISA-N 441.920 0.443 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2ncccc12 1796797508 ZJZWVYRNKAYXKN-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cnn2c1 1798077218 LBJYFSMJBDKIHK-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1ON=C(c2ccccc2)O1 1798329295 OZZVSKRIXJEBBW-GEYWLOKFSA-N 443.504 0.732 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c([N+](=O)[O-])cc1O 1798594097 PWDJTIUEKFCUKO-CGMLQXIJSA-N 443.840 0.112 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCBr)C4)CC2)CC1 1799191620 JGQMVNLVIKGYED-SCAQPMJSSA-N 443.386 0.141 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C2 1800971254 SBKJSYVCMDMQGT-NWHWRWDZSA-N 430.929 0.809 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)C2 1801012597 BJFJZRLPBJBXIO-DDFAGTSDSA-N 429.732 0.319 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803136825 WLEHBHWFAMXJDW-CPUCHLNUSA-N 429.926 0.593 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1807290124 VCKXPJDSNNLHMV-LIRRHRJNSA-N 429.481 0.203 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)[C@H](F)Br 1808662710 QLDLCABNAKOZAW-YUTCNCBUSA-N 426.250 0.465 50 20 ICGD Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](F)Cl)sc3C2)c(=O)nc1O 1817132447 NINRDDCTOWRKNL-UFBFGSQYSA-N 429.861 0.860 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc(F)n3)sc2C1)c1cccc(B(O)O)c1 1820439861 OVRAHOLLRUELJU-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084147 ZUKSXBGWKFRNBI-NWDGAFQWSA-N 438.554 0.343 50 20 ICGD Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n[nH]1 1827057615 LDWWDXFYXXGLNL-OAQYLSRUSA-N 438.337 0.874 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1829627842 JFQQHGANXUYEMF-GHTZIAJQSA-N 435.908 0.547 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)CCC)C2)C1 1829762767 QXYIWYSXYHXKOX-KVWGNXHNSA-N 427.929 0.709 50 20 ICGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc(Cl)cc1 1830683111 SQAKBCGVTRIEDR-BEFAXECRSA-N 445.299 0.579 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536288 QIKQVMPPTYICBG-NHYWBVRUSA-N 433.328 0.782 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1833865482 VHGLINIMGFPEFZ-ROUUACIJSA-N 449.335 0.735 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834322640 ZXAWEJAOOPZDFB-CXAGYDPISA-N 429.315 0.521 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634162 CRBIFHQPYLTEGU-OAHLLOKOSA-N 431.375 0.820 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836034470 JKERUDKUAVHQJH-WBVHZDCISA-N 448.264 0.910 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1837711805 RAUAHDVONKDACO-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799204 WSTLFVWHAFQTJE-MEBBXXQBSA-N 446.258 0.171 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839119463 GGCBKKIOCKYHQM-BMGDILEWSA-N 432.359 0.616 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839962427 DRDVMNHHQWKYCX-QAPCUYQASA-N 441.326 0.649 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839976972 CVSSBBIDVMFBKW-APWZRJJASA-N 432.851 0.563 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840030153 CAXPLBFOJAKICM-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)o1 1840032268 SXMMDQBYOSIAQG-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1)C(C)C 1840033658 MMVMFCXBKBRBQM-YEWWUXTCSA-N 449.342 0.814 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)nn1C 1840154032 IOYWNBXGDHDACF-KXBFYZLASA-N 428.917 0.306 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359834 QAXLIJRZQZCKDR-YOEHRIQHSA-N 444.330 0.298 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840483508 QKMZHQAOPKEENI-RBUKOAKNSA-N 446.331 0.901 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841299730 GUJWMURZLFPNPO-VXGBXAGGSA-N 434.331 0.859 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010454 RGXYTXHPRFCSER-UHFFFAOYSA-N 426.253 0.792 50 20 ICGD O=C(c1cccc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011584 SWWDFVDODREXMA-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CSc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1O 1843011760 PZFLXUIJIYQBDF-UHFFFAOYSA-N 426.303 0.925 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846348361 NWQCXIMZTIRIPW-IAGOWNOFSA-N 428.294 0.163 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c2ccccc2c1=O 15721966 OCOFCZYSNLGXNX-UHFFFAOYSA-N 433.428 0.544 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 24124401 KPWHCWDYHVDSNO-VIFPVBQESA-N 445.295 0.914 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CN(C)C)ccc2Cl)C[C@@H](C)O1 727762416 CPZWSSNYUVSKRF-TXEJJXNPSA-N 432.930 0.461 50 20 ICGD COc1cccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1OC(F)F 730571866 VRNYOPUZHKQKCC-UHFFFAOYSA-N 429.405 0.331 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3ccccc3F)C2=O)cc1 731328531 PVWMYVBRIAAPNP-OAQYLSRUSA-N 428.420 0.991 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 731404847 GWMREHYUFLPGMQ-UHFFFAOYSA-N 429.456 0.228 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 731491868 ZCWOIFVSNHVGPR-UHFFFAOYSA-N 437.449 0.930 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 731849377 ZFXDYZXNGZNMTN-AWEZNQCLSA-N 436.538 0.451 50 20 ICGD O=C(COC(=O)CN1C(=O)CCc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 732374452 ORQAHEVWECNKKD-SFHVURJKSA-N 439.424 0.496 50 20 ICGD COc1cc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(Br)c1O 732578817 SKXKUVWGUCVLNZ-WTKPLQERSA-N 435.234 0.933 50 20 ICGD Cn1c(CC(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)nc2ccccc21 732594403 AKNJOOFMJYSSHA-CQSZACIVSA-N 435.488 0.824 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 733043000 ZONFJIHEDQNIMH-UHFFFAOYSA-N 435.409 0.803 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)o1 734807395 NNELHUIXSFMYCI-UHFFFAOYSA-N 446.482 0.958 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 741276303 LTEMTJFULJELAF-UHFFFAOYSA-N 449.537 0.283 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)n1 741630538 CYQUOPSGCLFAJP-UHFFFAOYSA-N 436.582 0.162 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 742455082 XERNICZBSXTCCQ-LJQANCHMSA-N 446.471 0.579 50 20 ICGD O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)C(=O)N1CCCC1 748246009 COLCBKRUBNCRDQ-UHFFFAOYSA-N 437.305 0.432 50 20 ICGD COc1ncnc(OC)c1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748621278 ZUADQJYWPDVJKI-UHFFFAOYSA-N 436.494 0.187 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1nc(Br)cn2ccnc12 750249299 DDYQFAXTHZAUER-WTTBSCSTSA-N 431.250 0.742 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 751208291 BJFVRNUUPGIQQG-UHFFFAOYSA-N 435.506 0.516 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 756815154 IUKMSTNCJRYCEU-CQSZACIVSA-N 444.469 0.762 50 20 ICGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cc(Br)ccc2O)cc1C 757823520 RJWVOTQQGBTQHS-UHFFFAOYSA-N 425.243 0.872 50 20 ICGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 760232838 LJJUKAQWPSBJLX-IBGZPJMESA-N 430.553 0.929 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1OC 763544560 YMYQSZPGIQEVLG-UHFFFAOYSA-N 441.488 0.855 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 763864374 CAOITPKMDLMKQK-GFCCVEGCSA-N 432.408 0.633 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c2)CC1 763881754 JBXVPUARGGVYRV-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 764043133 PKAFZRJCJKDWHQ-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(OC)c(OC)c1 764163351 IVAXMCFLDYKUEB-INIZCTEOSA-N 443.412 0.580 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764199511 UPTZJCBUNMRJHM-UHFFFAOYSA-N 426.495 0.230 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)c(OC)n1 764279725 DNBYYKQAXFLXDR-UHFFFAOYSA-N 439.222 0.967 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cnc4ccccc4n3)cc2)CCN1 765995698 AOVXJBQCAVEMCH-UHFFFAOYSA-N 426.458 0.507 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1(C(=O)NC2CC2)CC1 766663066 JCVTVHDFNDMOIW-UHFFFAOYSA-N 433.940 0.664 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12 767319212 HDUCYRIVPOZRKM-UHFFFAOYSA-N 437.456 0.925 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(C)CCO1 770438904 UHYSGZGQNRBOHH-WMLDXEAASA-N 439.538 0.134 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 771930101 MIPKBLYRJJWGQN-CHWSQXEVSA-N 431.536 0.946 50 20 ICGD COC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 776845230 UADKYPVSDYIVKR-GFCCVEGCSA-N 440.526 0.791 50 20 ICGD COCc1cccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 779380365 SGWPJJSHMWOMJC-UHFFFAOYSA-N 433.534 0.850 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@H]3CCO)nc2)CC1 779710767 KMMWTGKQEFYBBY-GOEBONIOSA-N 426.543 0.195 50 20 ICGD O=C(NNc1ccc(Cl)nc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784871091 ANDWKDLZKBBJIN-INIZCTEOSA-N 445.863 0.831 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNc1ccnc(N(C)C)n1 784979339 WSRNRNTYKUMQJK-UHFFFAOYSA-N 442.524 0.775 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)c1 785060849 PJBPZLYDRGQDBH-UHFFFAOYSA-N 425.445 0.997 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCc1nnc2n1CCOC2 790679102 ROPZFCZENIGMOS-UHFFFAOYSA-N 425.243 0.480 50 20 ICGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 795280647 QFFSKILKKGGOLR-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD CC(C)n1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 797680488 JVUYMHPAMOCCQF-UHFFFAOYSA-N 436.494 0.951 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cc(OC)cc(OC)c1 799519290 SVQNSMBSXNPJTC-UHFFFAOYSA-N 429.476 0.235 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 802107239 MYYBNHKQFHAJLC-NSHDSACASA-N 436.446 0.944 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCC2(S(C)(=O)=O)CCCC2)cc1 805839878 JCHUDQSINUVKKL-UHFFFAOYSA-N 432.524 0.783 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)N1CCN(C)CC1 807381274 MEYCDUDDZCYJEU-OAHLLOKOSA-N 438.510 0.435 50 20 ICGD N#Cc1cncc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 811689926 PLECPRKAQFKEAB-UHFFFAOYSA-N 448.936 0.734 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 812730311 CIVHAWHJQKTBOA-UHFFFAOYSA-N 430.483 0.498 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 814637145 QYFMTZNJROCYCT-UHFFFAOYSA-N 431.471 0.872 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc3nncn3C1)O[C@H](C)C2 815692472 RRNNKPRWESOVDT-VXGBXAGGSA-N 428.449 0.349 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 849207653 OINYTHYAJGKWTF-GUYCJALGSA-N 443.412 0.159 50 20 ICGD CCn1c(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc2ccccc2c1=O 914756610 ZTGGKGVHLJBHDZ-UHFFFAOYSA-N 447.473 0.787 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccn1 915356829 ZWLQGYDHRODZRC-MRXNPFEDSA-N 434.474 0.572 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 916228872 NLDXPWKGWGWHJF-UHFFFAOYSA-N 436.490 0.897 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)COc3ccc(F)cc3)cc2)CCN1 916392228 RBNCAIUXDBNRBX-UHFFFAOYSA-N 443.435 0.307 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(Cl)nc3)nc2)CC1 918080487 PVJFGDXZXSUZLW-UHFFFAOYSA-N 439.929 0.892 50 20 ICGD CS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1318256141 GNMIEFLIVJTYFR-UHFFFAOYSA-N 439.519 0.106 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778028065 HAHFGEQSYLPXPC-LZDVPDMXSA-N 437.896 0.878 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ncn(-c2ccccc2)n1 1778179282 UOWNMYLKUPYFPR-CSODHUTKSA-N 447.923 0.995 50 20 ICGD C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1781692153 BJBNCTFQKGMGCS-AUSIDOKSSA-N 441.532 0.480 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783350723 APJULHAXJQSGOX-PIGZYNQJSA-N 440.298 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1783936236 JGHAUOTWPBNGRV-FQEVSTJZSA-N 436.488 0.243 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1O 1784092877 WYKRVNJHKBCZDJ-FAYQHZLMSA-N 426.897 0.984 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccs1 1784379529 VNDIHHHQBZFVAJ-QVKFZJNVSA-N 428.319 0.675 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787415598 XFCIBYVUNDJZIW-HVTWWXFQSA-N 435.952 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3F)[C@H]2C1 1787755485 BQGILXSOBMRRFR-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc2nc(CO)[nH]c2c1 1787871450 OFRJZVBVZHDDKX-PYTWLRIVSA-N 436.896 0.248 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1790961723 PKPQBVIBEFIMFP-HPCHECBXSA-N 434.331 0.202 50 20 ICGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c([N+](=O)[O-])c1 1792979748 DVCJLRINYRYHDQ-ZDFLXESQSA-N 441.868 0.335 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 1794574437 UPFWWPDAJGXNMB-CBKYIJDSSA-N 426.477 0.362 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C3CC3)cc1)C2)c1ccc(B(O)O)cc1 1795735867 HMSZLUMPFMRGEC-VTYHHJSWSA-N 434.301 0.761 50 20 ICGD Cc1cc(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735943 LAQISPJYJCRXQX-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCC1(F)F)C2)c1cccc(B(O)O)c1 1795737825 XCHCKTCWELKPHF-MVJTYMMSSA-N 436.264 0.395 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2cccnc12 1796806910 KEMPLWIOHYQZCM-RMFSNUHRSA-N 445.284 0.432 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1798205195 OGSRXPQCYLFLPH-JLUCKKNBSA-N 432.304 0.937 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1snnc1C1CC1)C2 1798440440 QKBVHSUTDRAJDT-CLLJXQQHSA-N 441.517 0.980 50 20 ICGD COc1cc(OC)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1798899400 XHCMSGZKPAPNNA-VPTLXERWSA-N 448.520 0.280 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1C 1798912154 OMNKOOBPPLFFNB-XEMDLRDOSA-N 437.500 0.819 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1800186887 STAAVOYLRPGNLY-GFQSEFKGSA-N 435.388 0.234 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1csnn1 1803748947 RJTBZIMGJKROMN-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369319 GDEFYJWSIHBOSM-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD Cn1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n1 1810090613 OZKRWYSTTBAWRE-UHFFFAOYSA-N 439.520 0.506 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1811198482 MXBOHFXIAANMHL-NQIIRXRSSA-N 440.504 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1813301077 CUQQEFQBQBYFLL-NZRBFCARSA-N 439.520 0.897 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336730 ATRHHHPVVTZIEG-CQSZACIVSA-N 439.306 0.404 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CO[Si](C)(C)C)CC2 1819468157 QBKPXWVJGVQHGY-ZUZCIYMTSA-N 444.586 0.971 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820783361 RYTYCGJOAVESOL-FVQBIDKESA-N 426.949 0.637 50 20 ICGD O=C(c1csnn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050025 FBDYYALJFIYJOV-GOSISDBHSA-N 428.323 0.765 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 1828926926 UIGXDDVICSJNFS-GOSISDBHSA-N 425.493 0.955 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830532934 BBOFEIWWNDZMHO-YEWWUXTCSA-N 448.358 0.389 50 20 ICGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830726673 SOCBLFNWIGICOF-XLIONFOSSA-N 431.961 0.163 50 20 ICGD O=C(c1snnc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728622 WMGMYSJOFQOEPY-PXAZEXFGSA-N 430.914 0.085 50 20 ICGD O=C(c1nnsc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728921 YZVBXANVDKNKQG-YVEFUNNKSA-N 430.914 0.085 50 20 ICGD COc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1 1833311947 GMYIASVHHOLMGX-MRXNPFEDSA-N 425.917 0.270 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3csnn3)CC2)CC1 1833558740 AFOHDOWYJGJQSL-UHFFFAOYSA-N 437.570 0.096 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834606082 LHOAKVMQUIHYJI-ZWKOTPCHSA-N 433.288 0.946 50 20 ICGD NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1835554603 PNCOJTOQYWSDMO-VQIMIIECSA-N 440.338 0.408 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920187 QUSULMRROHZQTQ-KRWDZBQOSA-N 445.369 0.319 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838333977 ZEZWRMVOMQQDIJ-KRWDZBQOSA-N 428.283 0.175 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203190 CKCNMVPJNXAMAU-WBVHZDCISA-N 446.273 0.477 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840141300 CRRUGVPAIZPTIY-NRTGNBEESA-N 432.876 0.733 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)cc1 1841353423 XXBOKQCFLKJTQD-QGZVFWFLSA-N 437.924 0.895 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022819 XJVXKCOGHPDHNF-LBPRGKRZSA-N 445.314 0.785 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038672 HFDDUULZJAMUED-UHFFFAOYSA-N 440.508 0.276 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 25413692 XQWHQBKXPWMWOL-UHFFFAOYSA-N 426.429 0.948 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cccc(OC(F)F)c3)cnc21 728510916 YAYLHYUBRCSIFW-UHFFFAOYSA-N 441.372 0.259 50 20 ICGD CN1CCN(CC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 731865246 LZIXXXPUZAZXPG-UHFFFAOYSA-N 437.547 0.557 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)s2)C[C@@H](C)O1 732264548 VGRQKPBAZCDZLP-GHMZBOCLSA-N 447.355 0.887 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C#N)CCC1)c(=O)n2Cc1ccccc1 736069414 ODOVDPNSASPHPW-UHFFFAOYSA-N 449.471 0.269 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCCc1cccs1 742053796 TYDBKXKEVBSPSA-LLVKDONJSA-N 428.540 0.338 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 745848174 REVYAZLJTCIKST-QGZVFWFLSA-N 437.456 0.947 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 745863750 WWDRVJINFVHIIT-INIZCTEOSA-N 443.552 0.634 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 746495578 BEFWQPAVUBJQJH-LJQANCHMSA-N 437.884 0.420 50 20 ICGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 747613229 FCANQMYJGDEZOG-UHFFFAOYSA-N 449.489 0.498 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748448012 VWTXEBAALRJUFB-AWEZNQCLSA-N 439.538 0.731 50 20 ICGD Cc1ccc(CCC(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 749160724 NZVPSIYGVVTWDL-UHFFFAOYSA-N 446.529 0.755 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)n1 753454086 FGXBFTMYBJALOZ-UHFFFAOYSA-N 427.693 0.941 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc21 756829354 HAOSHCSGIVTZHF-UHFFFAOYSA-N 447.473 0.759 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(C)nc3ccccc23)cn1 756838995 OUVSBRJFDDFWSF-UHFFFAOYSA-N 425.449 0.969 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757632401 ZJLRPYQZMYTYHA-UHFFFAOYSA-N 449.489 0.181 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1=O 757764766 RSRVEHXKRQBFNA-UHFFFAOYSA-N 436.446 0.281 50 20 ICGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 761827084 ACWOMPFJTSZPDE-UHFFFAOYSA-N 434.500 0.983 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)n1 762905158 DMNQJURPQFWDQV-UHFFFAOYSA-N 434.522 0.942 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)CNC(=O)c1cccnc1 763819688 GBSHASIJMBYUQB-UHFFFAOYSA-N 445.501 0.032 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764005962 GXTNOZSINGARMI-UHFFFAOYSA-N 449.427 0.846 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1 764114599 DOZGSTWOAYBOFQ-UHFFFAOYSA-N 438.428 0.943 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764167244 IAOAUTYOXHEOSP-KRWDZBQOSA-N 447.469 0.200 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nccnc2OC)o1 764459792 BQZYZKOZIGIAFU-NSHDSACASA-N 439.450 0.551 50 20 ICGD CN(C)CC(C)(C)CNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764519382 QWLXWFFWTLNPHG-UHFFFAOYSA-N 434.610 0.528 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 764544355 HOFFRXVNSXYXGE-NSHDSACASA-N 440.441 0.335 50 20 ICGD CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640107 SBYSRURAWHGIBR-RBSFLKMASA-N 448.524 0.059 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)c(OC)c1 768243607 XEMUKAJFXSOZSB-UHFFFAOYSA-N 442.428 0.997 50 20 ICGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771606443 VYTJNPJAGFWNON-UHFFFAOYSA-N 443.865 0.962 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c1 772354197 RMSWVKKFNDFZDC-UHFFFAOYSA-N 427.461 0.868 50 20 ICGD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 773645903 PJBFCGYTYFXLDD-QGZVFWFLSA-N 427.433 0.502 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2C(C)C)cc1 773992009 FNPCNRVKUQUQNH-UHFFFAOYSA-N 436.494 0.607 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccnc1-n1cncn1 774009570 QQZMOARUSSTPAC-NSHDSACASA-N 429.824 0.869 50 20 ICGD Cc1sc2ncc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(=O)n2c1C 775643480 RPRQLMLFWFJYEI-UHFFFAOYSA-N 434.503 0.741 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n2nnnc2C)c1 778445490 OHVBPUZKCMLKMD-GDNBJRDFSA-N 431.453 0.660 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)ccc21 778713864 NDVDEEODJFKKQH-UHFFFAOYSA-N 440.456 0.525 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)cc1 783411095 OMXDYFAPAKGARP-UHFFFAOYSA-N 441.444 0.618 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCS(=O)(=O)C1 783425623 ISMDDVHDDSLUQZ-OAHLLOKOSA-N 448.295 0.357 50 20 ICGD CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783999436 OFSOAKPTXJMROT-UHFFFAOYSA-N 440.504 0.937 50 20 ICGD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)c2)n1 784002472 QEONPECVUSDIBK-UHFFFAOYSA-N 440.416 0.716 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc21 784004998 NTRHRBXRAUUEMK-UHFFFAOYSA-N 444.473 0.260 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784231165 VJKGOJUCPKEKOR-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccc(C#N)cc2)n1 786723068 KUHZONQZSJVIOQ-UHFFFAOYSA-N 434.478 0.730 50 20 ICGD CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 789731194 DVSOCQSYRCJXPG-GHMZBOCLSA-N 442.563 0.815 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cnn(Cc2ccncc2)c1 789818592 MKKAOBSVNFDKGT-OALUTQOASA-N 434.456 0.985 50 20 ICGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 792854493 KKDVAFIZHLHXHH-KRWDZBQOSA-N 443.591 0.726 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1 793071122 YRVOZDIVKBTGBZ-UHFFFAOYSA-N 447.448 0.999 50 20 ICGD Cc1cc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1I 795079982 HCVDOZNCAZVDCM-VIFPVBQESA-N 439.275 0.607 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2nnnn2CC(F)(F)F)cc1C 798308405 YLJJEJIIGSCLQB-UHFFFAOYSA-N 431.400 0.730 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 799101541 OZSNLDQPFBVUJP-FCEWJHQRSA-N 432.521 0.947 50 20 ICGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(Cl)c1 807003941 CJNWGGXHHUDVJA-UHFFFAOYSA-N 436.808 0.544 50 20 ICGD O=C(NNc1ncccn1)[C@@H]1CC[C@H](C(=O)NNc2ncccn2)N1Cc1ccccc1 810058657 WYZLAYCLTJEVBL-CALCHBBNSA-N 433.476 0.886 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 810386451 AOIPVNVLTAZWFC-OAHLLOKOSA-N 448.382 0.519 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc3cnn(C)c3c2)c1 813169802 SURKJEJACMLWIO-UHFFFAOYSA-N 430.490 0.968 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)NNC(=O)c1ccc(F)cc1 815264277 UOIVJZLTVXMLGI-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 825649598 YIMSMZZPZIGKAG-UHFFFAOYSA-N 431.474 0.383 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 906466592 IFEDMKWUFDPUSV-QMMMGPOBSA-N 444.272 0.035 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2)cc1 915062185 HMXYTZQNCWZFJW-IBGZPJMESA-N 447.513 0.992 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n[nH]2)cc1 917175890 MSRYOOIVBUBZTH-UHFFFAOYSA-N 438.469 0.885 50 20 ICGD COc1ccc(COCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 917300184 WSJQFWRHIFATBU-GOSISDBHSA-N 430.413 0.742 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CC(F)(F)F)c1 918365982 ILRHJXBDLMUCSB-UHFFFAOYSA-N 438.428 0.487 50 20 ICGD NC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 920556508 YHTKFOUDIQNJSW-UHFFFAOYSA-N 446.485 0.410 50 20 ICGD CC(=O)Nc1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 921180803 MZRVMEIMNCMALC-GOSISDBHSA-N 427.413 0.718 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1322045950 ZONQBFCZCJIPPG-UHFFFAOYSA-N 436.494 0.226 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1779030061 GFUUNZGOGMNQHF-JOCHJYFZSA-N 438.488 0.156 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782454238 LFXBVYNQVUZFLN-JJRVBVJISA-N 428.331 0.966 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1782864981 ZNLCQVRJZVSZKM-RTBCXJIMSA-N 444.438 0.980 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1783878084 VADMMPYETRUTAI-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783952151 PEHAIHAUDBBFTJ-AWEZNQCLSA-N 426.347 0.480 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)[C@H](O)CCl 1784095016 ZXKGEMREXJTTDG-PUKVIBKPSA-N 447.919 0.476 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785627752 WDHQNPXBBCYYEN-ABHRYQDASA-N 442.310 0.710 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CC1 1789922906 UEKLFXXUJVJHAL-QBYUYEEZSA-N 449.365 0.294 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc2cccnc2nc1O 1790363495 YSRXPBWIFOKESL-HNKHHVNMSA-N 434.880 0.528 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cnccc4[nH]3)C[C@@H]21 1791290967 FTLKJBQEWQJRRB-QOKNQOGYSA-N 442.520 0.529 50 20 ICGD CC(C)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(=O)OC(C)(C)C 1792975074 IRBVSXHFYCOIAK-IVSAIRAKSA-N 447.960 0.821 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1Br)C2)[C@H](O)CCl 1792980017 BQBATIMYTDUYPP-LYIQGSDWSA-N 432.702 0.647 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793229616 AWCAOCQDQAJICJ-SFNKJDCFSA-N 437.924 0.602 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nc2ccccn2n1 1796102614 XDWFOWJGFMSXTP-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2cn[nH]c2cn1 1797580467 GUJHUTNCSVHVGC-DJBIQUGXSA-N 426.246 0.852 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937839 ZIQVNXYDBUIOPX-NRWUCQMLSA-N 427.299 0.652 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc3ccccc13)C2 1801012901 BXCBJYLBSIDZRJ-YEZVWNJWSA-N 443.504 0.333 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1801834938 ZVSZRLATMJNCHO-BJWYYQGGSA-N 431.298 0.143 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803543207 KSSYKTHWSQXJRV-PBEJRMEISA-N 435.289 0.119 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805719429 CDGNXOBOBYKGML-KXBFYZLASA-N 448.487 0.447 50 20 ICGD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805800074 HFTWSJIBZVYMPI-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340889 PPJCHJURDRMKSZ-RHSMWYFYSA-N 437.342 0.712 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367904 OLKZIVOIHADZFE-KNQAVFIVSA-N 438.337 0.421 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@H]2F)[C@H]1c1cccnc1 1807829882 UCTPSMFEZQICMQ-AETAKHFUSA-N 426.452 0.758 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)nn1C 1809977209 ACHUPHJGRVNCBN-UHFFFAOYSA-N 438.337 0.496 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810541307 SYTHTHWLQMRUCW-DNVCBOLYSA-N 447.568 0.491 50 20 ICGD CC(C)(C)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339389 CGCLJASUYSTKBJ-AWEZNQCLSA-N 430.339 0.437 50 20 ICGD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815694974 AHRAYJJDMKQDIK-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822368880 MDPCPRKAHHRYPS-GDBMZVCRSA-N 434.689 0.649 50 20 ICGD C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCCN1 1827052485 KMVCABQPCUFBTR-NZQKXSOJSA-N 427.354 0.742 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1 1827606929 CMEHKZNCXGQADJ-DOTOQJQBSA-N 437.965 0.871 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)NC=O)CC1 1830327803 CKYZLHNVXBENCU-DSOYRZJRSA-N 444.536 0.875 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1831641288 XWUCCKLZWRCPBP-FOIQADDNSA-N 441.912 0.165 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)n(C)n2)CC1 1831872391 TZAMYSYKMGKOJR-KRWDZBQOSA-N 434.541 0.732 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834022450 VGXDXPABBPVWTI-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826667 SWDCEKYTOAVSFT-MAUKXSAKSA-N 448.358 0.533 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835467375 XPHACIRMDRMEPD-DOMZBBRYSA-N 428.835 0.775 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642806 MHNHYBCPHJMRGS-SJCJKPOMSA-N 443.298 0.013 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839150403 LNHSBZRLLUOKPX-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839410288 VMMWXYXYRPZOBZ-UGSOOPFHSA-N 434.823 0.340 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839499821 ZUMAVQZFUNRMHM-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839737083 XZSGHSBYGFDLTE-MMOPVJDHSA-N 437.924 0.733 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840149345 MDWKGKYHXXCRQN-RXVVDRJESA-N 435.908 0.811 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1840150949 UKENKHOFPOLLRU-QAPCUYQASA-N 431.942 0.704 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1O 1841192328 XKJZNWSJPNIQKC-UHFFFAOYSA-N 439.472 0.459 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841680564 JIEFNNOPCVXPLI-ZVHZXABRSA-N 430.509 0.486 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841876888 RMXGOESJFGGWRU-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1846360529 RPNCGAUPGHTPSP-PVAVHDDUSA-N 437.924 0.623 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846423004 BREDQKULYYKCGL-CQSZACIVSA-N 444.444 0.863 50 20 ICGD Nc1nccnc1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 10125172 SRUYRRNARAQIFC-UHFFFAOYSA-N 426.458 0.612 50 20 ICGD CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 10159583 IUCUZRLAPIVORO-UHFFFAOYSA-N 441.469 0.975 50 20 ICGD CCCn1nc(C(=O)NNC(=O)C2CCN(S(=O)(=O)CC)CC2)c2ccccc2c1=O 17163465 OQORLBUZRXUGKG-UHFFFAOYSA-N 449.533 0.629 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2c(C)nc3nc(N)nn3c2C)c2ccccc2c1=O 17190315 YCXYZZZGIADSBE-UHFFFAOYSA-N 449.475 0.447 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2)cn1C 109573055 LPDSLNBVZSMQJL-UHFFFAOYSA-N 448.549 0.656 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 726867423 KWZLXUJEODGCJW-UHFFFAOYSA-N 437.503 0.068 50 20 ICGD COCCOc1ncccc1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728946476 MAJYHKZNZUDIGM-UHFFFAOYSA-N 429.481 0.644 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 730780210 KKRADYJCHSSLDX-MELADBBJSA-N 435.502 0.825 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)c2ccccc2c1=O 730841827 PXHKGBMVLBCZEA-UHFFFAOYSA-N 429.458 0.447 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-] 734419913 UOHAIVVDOGVQKD-UHFFFAOYSA-N 442.475 0.777 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)COCc2ccccc2)C1 738496054 LOLCGBGFFSAIIC-QGZVFWFLSA-N 434.493 0.678 50 20 ICGD O=C(NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1csc(N2CCOCC2)n1 741207440 MTSHPCKQBSWSIQ-KRWDZBQOSA-N 431.518 0.642 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(OC)c1 742069839 YAAGQMYSHWPZGL-NSHDSACASA-N 439.494 0.182 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 746299207 AOOJJJUGPMNRPL-XUSGNXJCSA-N 444.492 0.938 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 749017064 IDCPYMWSDHZZFI-AWEZNQCLSA-N 442.538 0.855 50 20 ICGD CN(CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 749283938 JUJSUKMGOZEBDU-NSHDSACASA-N 429.442 0.542 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 756893526 RHRWKGDHWLOVSL-NRFANRHFSA-N 444.875 0.511 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 762847336 GAGTZYQIZXOWBI-QKKBWIMNSA-N 445.524 0.893 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)n[nH]1 763118648 JFKVURYVCGALDS-ZDUSSCGKSA-N 441.897 0.366 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 763665497 WVGDOKHWYWIPCZ-GOSISDBHSA-N 440.456 0.370 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764130999 CETLJFLFNUSGCM-UHFFFAOYSA-N 435.440 0.680 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)c1C 764147583 DYASRIUYOJSHHS-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764182255 JSVXFKPGUZOZJS-UHFFFAOYSA-N 443.485 0.987 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)n1 764270874 VEKSYSMYLIYNQD-UHFFFAOYSA-N 428.218 0.831 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 764401912 ZDLPCZHXKIUAAW-SNVBAGLBSA-N 427.845 0.007 50 20 ICGD CSc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1)OCCO2 764432263 DMNLQMUPVICARA-UHFFFAOYSA-N 445.457 0.933 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C1 764434784 RJAAVTQIHXSISO-INIZCTEOSA-N 448.476 0.481 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 765312791 ARIMEQNPFUWHPC-UHFFFAOYSA-N 425.486 0.693 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCC(=O)N2CCC(O)CC2)c2ccccc2c1=O 765467429 FHSFKUGCNACUMI-UHFFFAOYSA-N 429.477 0.331 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)nc2)CC1 765906754 XOCSOYFXEHBXPL-NVXWUHKLSA-N 438.554 0.601 50 20 ICGD Cc1ccc2ncc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c(=O)n2c1 766635840 GQJUFYRIPJTPIB-UHFFFAOYSA-N 448.483 0.222 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n[nH]1 768273306 CJEWFCSRGRHEHM-GFCCVEGCSA-N 433.446 0.116 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)nc21 770363852 KWGBBWAKLACGJP-UHFFFAOYSA-N 435.489 0.248 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cccc(Br)c1)c1cc[nH]n1 772312831 JIJICFUSEBYPQO-UHFFFAOYSA-N 438.238 0.917 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCCc3ccc([N+](=O)[O-])cc32)n(C)c1=O 773066669 CEYCXZGEGCPRRK-UHFFFAOYSA-N 425.405 0.199 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C 778425504 AQJGXBGWDHSDQG-UHFFFAOYSA-N 449.489 0.740 50 20 ICGD CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 780527162 ODIRIQQBQGRGQP-RBZFPXEDSA-N 426.514 0.855 50 20 ICGD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 782967690 VOAXUMONYOMJAC-UHFFFAOYSA-N 426.477 0.843 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CCS(=O)(=O)C1 783428825 XVJCWHPUPZAZHP-KRWDZBQOSA-N 443.888 0.860 50 20 ICGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(CCCCl)cc1)C2 786133434 XENRSJDFQQMGIC-UHFFFAOYSA-N 441.941 0.509 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccccc2)s1 787597133 ROBMZSTUWLBAQV-UHFFFAOYSA-N 439.519 0.193 50 20 ICGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 792015455 ANGYREWLDKIBGD-QFIPXVFZSA-N 439.472 0.660 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc([S@@](C)=O)cc2)cc1OC 797915738 IMUGRAAZDUCOCV-SSEXGKCCSA-N 434.470 0.988 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 805879134 CNAJVBZLMHBSQS-VHSXEESVSA-N 443.530 0.919 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n2nnnc2C)c1 818011731 ARSTXLJRAMHAOD-SKTWIKFTSA-N 436.428 0.976 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 913416872 YYBPOFIKVXZYNT-HNNXBMFYSA-N 425.850 0.606 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2nccc(OC)n2)cc1 914861245 DARLOJUZDHVSRM-UHFFFAOYSA-N 436.494 0.389 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 1324145330 HVMZKHPNTQFUJG-UHFFFAOYSA-N 445.509 0.129 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 1780714461 KGEWSLROBKCJLO-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1N(C)C 1781125169 IUAKSVLVYVEADL-JXFKEZNVSA-N 425.913 0.804 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782967752 ULACXBNKHIYRLF-MAUKXSAKSA-N 429.832 0.706 50 20 ICGD NC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1 1784930962 PPFQICUGAIJZMQ-CXAGYDPISA-N 428.258 0.920 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c(C)o1 1785993667 ZVPWSCWAALLMHD-JVPBZIDWSA-N 441.488 0.802 50 20 ICGD O=C(COc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786484406 UIRLVSLXHYZECW-YYWHXJBOSA-N 438.289 0.039 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nc2ccccc2[nH]1 1787835927 WUOQINJFKGCZBO-KNBMTAEXSA-N 448.288 0.150 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3c[nH]c(=O)cn3)cc2)CCC1)c1ccc(B(O)O)cc1 1790100076 VDOFDIUTEUKCOL-UHFFFAOYSA-N 432.245 0.511 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791616439 CKXRKBLLEVBQIH-FQKPHLNHSA-N 428.331 0.992 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)C1 1793115713 UAVPEFQYJXHEFH-GEONZQJFSA-N 445.944 0.452 50 20 ICGD CC(C)[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1793235674 GHAFWOUWJJHTHR-RCLSDMTESA-N 445.564 0.988 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793468655 MLLCKWQAUREYNT-MHEUCROKSA-N 432.359 0.769 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793474370 WMGZFPROQLJWKL-LXTVHRRPSA-N 432.359 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1 1794308842 DBOHVVHUQJGFNV-MUJYYYPQSA-N 432.525 0.146 50 20 ICGD Cc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740907 OCQVKIJOOWYIRL-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(F)(C1)C3)C2 1796439702 XUFJMRYYBPPSBR-KPFBYLFHSA-N 431.468 0.602 50 20 ICGD C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)n[nH]c21 1796976156 ZPBUUXXIIWEMTQ-PJHJGJPPSA-N 432.525 0.036 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnn2ccncc12 1797061717 STIHPFCGFQYPKN-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799085344 OSOPKNXJKKLORS-MBMVNNNZSA-N 436.310 0.645 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1800640288 PEYKWMFYQFWWEA-NWJSVONSSA-N 437.356 0.656 50 20 ICGD CCOc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1OC 1800858845 YWVXNNZFAIFQRJ-UIVXKWKOSA-N 440.924 0.826 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810158378 RDKFAXFKTBUBDN-GRDNDAEWSA-N 435.916 0.674 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(Cl)Cl 1813076440 QRTXQXQDZOXMGA-DGCLKSJQSA-N 439.236 0.616 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1814098923 WKIIFDKCXUDCRG-ROQZPYQZSA-N 431.493 0.491 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1=COCCC1 1815348653 UXVMMGZNIMOHOJ-HNNXBMFYSA-N 427.291 0.743 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(N)=O)CC2 1817283193 WXMCEVPSKCTXQB-IVWJEFBKSA-N 445.505 0.455 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)c1cccc(B(O)O)c1 1817473822 BNGLEIFGYSPCEG-GOSISDBHSA-N 435.249 0.343 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1821996934 PNFYGFQRZUWEHK-MRXNPFEDSA-N 440.265 0.349 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1 1824055633 ZLASAPBJFKLSOY-GFCCVEGCSA-N 445.549 0.885 50 20 ICGD O=C(Cc1cc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824726199 MQSHSXCQMDHWIO-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD O=C([C@H](O)c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055628 GGQSKHXGFMVKNN-PZJWPPBQSA-N 440.305 0.926 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831572 MYANVPRICQVTMA-QEORTHHSSA-N 431.283 0.553 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722390 AUGPJMFHSSRLDX-KXBFYZLASA-N 444.937 0.743 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831742199 NGQJDUNUNMDHHP-ABAIWWIYSA-N 433.328 0.639 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832933573 JDUNMYXCEYKBHG-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833530063 LECCCQCPTBSVED-HOTGVXAUSA-N 441.960 0.564 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834590992 DWKGWBVPAVVGGA-FZKQIMNGSA-N 443.294 0.741 50 20 ICGD N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834605043 YDDWUGWEZZWHQQ-UHFFFAOYSA-N 427.509 0.174 50 20 ICGD CCOCC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118402 YWLRHYKQWIZTMI-PCLIKHOPSA-N 446.552 0.729 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836656177 YJFWEINSGCOMJO-YRISNDGFSA-N 438.908 0.700 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)C(C)(C)C)CC2)CC1 1836695872 QAKKTYXUHFFHAZ-FQEVSTJZSA-N 440.585 0.765 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837626224 ARXHDISFWPGTLI-HXUWFJFHSA-N 438.912 0.742 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838456075 GNBKPVXWWXTBBS-OXJNMPFZSA-N 425.913 0.827 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1839965380 XBWITEYZXVLCFK-ZBEGNZNMSA-N 431.287 0.359 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150158 GOOMJMXWZVOHKT-KXBFYZLASA-N 433.933 0.003 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840185766 XAGKMOYRRYZYOQ-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840234652 YPZLGSFOAZJFNZ-BEFAXECRSA-N 434.917 0.166 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840331067 ZRHPYDANETVRNX-WRWLIDTKSA-N 425.913 0.316 50 20 ICGD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841925328 LTQIZVJQDQGKQS-LBPRGKRZSA-N 432.905 0.678 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1ccc(F)cc1)C2 1844264042 XNHWKOMCSLACCZ-UHFFFAOYSA-N 427.436 0.720 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)cc2NC1=O 1846385266 KBVGAILQGFHHKI-CQSZACIVSA-N 443.504 0.596 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)[C@H](O)C1 1847237959 IMNSIJIGENJEKS-UVPYHEFZSA-N 445.944 0.406 50 20 ICGD COc1ncccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848207137 YEQWSGXBOOQWSY-ROUUACIJSA-N 438.488 0.537 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccccc1 21161992 VWPHOJFTQOATEZ-UHFFFAOYSA-N 434.792 0.982 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 727608777 WXTHOYCAUYFWMH-ZDUSSCGKSA-N 431.474 0.937 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 728846528 OMBSPXVPHPSHNI-UHFFFAOYSA-N 428.405 0.834 50 20 ICGD O=C1CCCc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc2N1 728854032 JZJHTBZLRXYCLX-UHFFFAOYSA-N 444.517 0.978 50 20 ICGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)C1CCN(c2ncccn2)CC1 728949012 MCKUUHOXNCNPQN-HXUWFJFHSA-N 449.581 0.231 50 20 ICGD O=C(CNc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 729513528 WLICBLZHBZAPBZ-UHFFFAOYSA-N 434.474 0.386 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 732050060 KITQHFFDBPKODV-CQSZACIVSA-N 427.373 0.890 50 20 ICGD CN(C)[C@]1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCSC1 748645904 CBVYDJDZHUWTBU-NRFANRHFSA-N 434.610 0.966 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)CNC(=O)c3cccs3)c(C)c12 751208854 IQKXCHNQAILASG-UHFFFAOYSA-N 430.490 0.450 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)COc2ccc(Br)cc2)cn1 756801830 OBPBCXCDJCJOMI-UHFFFAOYSA-N 439.270 0.966 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 757476521 HTIFFQGYWSROGB-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 757886097 QOOKPOBMBPIUEL-QWRGUYRKSA-N 425.454 0.461 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OC 763572354 QTJBTFZMBHHBHY-GOSISDBHSA-N 445.428 0.646 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1C(N)=O 763596289 UVBZHTGTOWCTIT-UHFFFAOYSA-N 443.460 0.652 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1 763664499 BQGUNBSWILINAY-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 763864375 CAOITPKMDLMKQK-LBPRGKRZSA-N 432.408 0.633 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 763871205 FIRWKKNKJBDKHZ-AWEZNQCLSA-N 445.451 0.919 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)c1 763938428 FTFLJQAGFXUXHZ-UHFFFAOYSA-N 441.263 0.774 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccoc2)c1 764164679 XZSRVNSCFYIURJ-PXLXIMEGSA-N 433.446 0.492 50 20 ICGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731822 CFYZOIZBJGFHCH-UHFFFAOYSA-N 431.537 0.534 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2cccn2)nc1 765739194 QTKVRVZWMDJCQF-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD C[C@H](CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)C1CCCC1 766642281 LISKNOGGMMDFPK-QGZVFWFLSA-N 443.548 0.677 50 20 ICGD CS(=O)(=O)NCC(=NNC(=O)Cc1csc(N2CCOCC2)n1)c1ccccc1 766693499 ORJOSBAGCBKGKK-UHFFFAOYSA-N 437.547 0.592 50 20 ICGD COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(C)o1 767851201 PBTHWQLEPJYDEM-UHFFFAOYSA-N 445.313 0.363 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1C 768292372 YOJIAECICRBMKZ-UHFFFAOYSA-N 440.500 0.988 50 20 ICGD CC(C)(C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)c2ccccc2C1=O 769923086 KYRBIQPQEQHWIZ-UHFFFAOYSA-N 436.472 0.915 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772893392 WLAYDYYHPDWIBF-QGZVFWFLSA-N 441.879 0.883 50 20 ICGD CN(NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776213630 PXTWDRQKELIUNC-UHFFFAOYSA-N 431.471 0.176 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC 781426737 MKJMWGUNUFRJMW-GFCCVEGCSA-N 436.490 0.463 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccsc2)CC1 782120046 DRSPSHBAMDINQW-UHFFFAOYSA-N 443.529 0.741 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264369 NSMSEMQIHZPZBJ-UHFFFAOYSA-N 437.478 0.867 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c2ccccc2c1=O 784293874 ZPRDMBQVFSBJSC-NVXWUHKLSA-N 439.472 0.136 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 785230389 AXUUTBRYYZCTSL-CQSZACIVSA-N 439.476 0.610 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccc(F)cc2)n1 786715584 HOSDARYXQSAPDY-UHFFFAOYSA-N 427.458 0.997 50 20 ICGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 792013149 TXKQNCXOAOFTCQ-QHCPKHFHSA-N 441.532 0.267 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 792574108 YAJILURCNWBWNU-MRXNPFEDSA-N 448.453 0.163 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2n1 799009471 ZGXSEYKXJDTFSQ-ZIAGYGMSSA-N 430.486 0.340 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@](C)(O)CO)cc1 801974894 INNBCRVJPIVPDJ-WHIQYKQFSA-N 427.461 0.201 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c(OC)cc1Cl 802078853 WCNINPFSOXSPLU-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c2C1 803839771 XYMIPXJURLBHBO-HNNXBMFYSA-N 438.444 0.071 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccccc1F)C(F)(F)F 804867800 LEIADTRRRMXWGW-NSHDSACASA-N 430.380 0.357 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)CCc1cccs1 811690204 XFKJRVOCRGRELQ-UHFFFAOYSA-N 436.559 0.699 50 20 ICGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 812533761 FZKXIRWQVXGGDO-IRXDYDNUSA-N 440.566 0.367 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc2NC1=O 813034129 ATXSFLYZUVPPJJ-NSHDSACASA-N 447.473 0.738 50 20 ICGD C[C@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)C1CCOCC1 816509905 GLRYGNAIANFCNA-KGLIPLIRSA-N 447.554 0.763 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)ccc1OCCC(C)C 816828721 NAUWAQHYRDGQEF-HNNXBMFYSA-N 442.538 0.797 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccc(OC)cc2)cc1 825553871 DVIXJPGHNFQNET-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 914829966 KMAHKFALBCBBIN-HNNXBMFYSA-N 436.534 0.879 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 935522413 YXXMDXSJNGJLCM-UHFFFAOYSA-N 448.501 0.606 50 20 ICGD O=C(NNC(=O)c1cc(O)nc2c(Br)cccc12)N[C@@H]1CCS(=O)(=O)C1 1323560389 BXUDXWXMKQSJFI-MRVPVSSYSA-N 443.279 0.834 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1C 1326973332 PIGMXKDVAPBMJW-UHFFFAOYSA-N 435.502 0.756 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779029871 ZNXDDTGGABLBSU-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1779035016 ZWCRQNAJJIORJX-JOCHJYFZSA-N 440.504 0.411 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1779538737 GEBGDVWWBSCRLB-JXXFODFXSA-N 425.602 0.878 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C)n1C 1779926519 DPLYHAFSIZUNGY-JOCHJYFZSA-N 440.504 0.398 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1780320894 GVXJIVWRGPVQAV-BEFAXECRSA-N 425.869 0.302 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccoc3Cl)C2)C1 1780455469 LSCKALQCEJYTCP-LJQANCHMSA-N 433.852 0.689 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230894 AKVQPHHEYVHEBZ-AYOQOUSVSA-N 435.396 0.689 50 20 ICGD O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782960207 PHYALBWMKJDDFA-COPLHBTASA-N 427.292 0.084 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1783974958 XHPXEVYGLCASNG-VOAKCMCISA-N 446.371 0.908 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090765 AFXQTXTUUUBTMD-UKJIMTQDSA-N 438.834 0.632 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786734090 VERYVAZWARRSJR-AJNGGQMLSA-N 430.343 0.762 50 20 ICGD CC(=O)Nc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1788188240 TWXFYVXPZXOASZ-WNHJNPCNSA-N 437.924 0.767 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1788764139 MPKWVFYLUIOBKZ-AVGNSLFASA-N 439.507 0.496 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 1791287158 QVSJPSMYULATKY-SNRMKQJTSA-N 448.520 0.124 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791616440 CKXRKBLLEVBQIH-LXFSFDBISA-N 428.331 0.992 50 20 ICGD COc1ccc([C@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1 1792793975 FZNMZLSMMIEMEI-DLRJPAPCSA-N 432.521 0.740 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798373199 GJLARMSIGFSFRS-CLLJXQQHSA-N 443.416 0.648 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799180700 IFZBFCKTPXZBKV-NNXHMXCWSA-N 445.402 0.243 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1799264343 KHEDYLPTEBTUFS-JNZVMSIHSA-N 438.912 0.600 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799659396 YRMSSEXBNIKRLG-KFRQHLNQSA-N 429.267 0.790 50 20 ICGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)nn1 1800760144 CVZNGDILJPOLRT-OHTBPHCPSA-N 427.299 0.862 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)ncc1[N+](=O)[O-] 1802336651 RUJYCAUVOBLEFS-QDMKHBRRSA-N 432.481 0.923 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807367189 JRBAUSPGPHQTEV-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812414613 FGPLKZNPCZDSJC-DYESRHJHSA-N 433.277 0.047 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1813071244 RAIRMCVRAHNPAV-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814306170 XYNHXGLOEMNTOW-LLVKDONJSA-N 448.505 0.030 50 20 ICGD Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)s1 1815354504 FVLMQRIIQLAPRA-NSHDSACASA-N 443.319 0.401 50 20 ICGD Cc1nccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354511 GCRLYXYGHJQOEK-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccn2)n[nH]1 1816361506 AFWPEZFRBXRVQB-INIZCTEOSA-N 435.448 0.818 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1830534901 DPQCHBPUWABIPA-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725611 KXVCJUQYFKEYHN-BEFAXECRSA-N 429.876 0.209 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C(F)F)n1 1830727935 KWXSASCAQRMUMM-SJCJKPOMSA-N 436.843 0.027 50 20 ICGD O=C(c1cccc2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735421 HOGLMSCXUVVWRD-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(F)(F)F 1832155411 XYGZBFNBRAWOIJ-KBPBESRZSA-N 447.248 0.541 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833077123 QUNPVYDLBLEDJD-PYTPGESOSA-N 440.972 0.670 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1CCCCO1 1833111868 WNEXYTBGKYVKQX-OAQYLSRUSA-N 443.353 0.121 50 20 ICGD CN1CCC(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834820270 UWXJQYDEUKGWIY-IBGZPJMESA-N 446.386 0.960 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921755 XVTXBZNGIFSGBE-MRXNPFEDSA-N 444.337 0.594 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199299 MEUSLHXUGIEWLR-XHDPSFHLSA-N 435.250 0.326 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839648043 PRTTXIMHUQUPJC-WWQFSPIMSA-N 436.278 0.173 50 20 ICGD C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839834930 MDEWQXAVGXQFQW-PHZRFKQYSA-N 443.504 0.709 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840030743 VHEPJNGGEWDKOI-SCLBCKFNSA-N 449.342 0.958 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031685 ZQMPBUGUVPKKCQ-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840037352 YMJPDVJHEBPCJI-ZENOOKHLSA-N 430.303 0.079 50 20 ICGD Cc1cc(C)nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184106 SIGZSCIVPYFKNL-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012565 BPIUCJYDIUVZNU-INIZCTEOSA-N 435.289 0.002 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843013107 JAOKPFUBXRUZJA-WKILWMFISA-N 428.294 0.163 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3cc(Cl)ccn23)C1 1843207189 AMRQWRNNMPBREA-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1843415304 KBEXNAGLCGNWCZ-NONDHBLVSA-N 437.522 0.005 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)N1CCCC1 1848054597 VEIUAIVKNMBABB-WGCRICIGSA-N 442.520 0.725 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc(C#N)cc3)cnc21 727104287 RHIQTTACRPMAOC-UHFFFAOYSA-N 430.222 0.225 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 728204695 JBCBCSQSRSOBAZ-MRXNPFEDSA-N 448.549 0.995 50 20 ICGD O=C(NCCCNC(=O)c1ccc(F)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 732246350 RCOZOXPNWBODCP-UHFFFAOYSA-N 443.483 0.983 50 20 ICGD Cc1cc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ncn1 734254780 ZWKPKYXSFHJIEH-UHFFFAOYSA-N 432.506 0.541 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)c(F)cc3F)c2)CCN1 734552247 MGAVCCAFUMLOAP-UHFFFAOYSA-N 428.392 0.981 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 737474550 VPASLDPOBSEPHN-NSHDSACASA-N 429.408 0.308 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)n2)cc1 737765978 DSSSHDBNXGQUQB-UHFFFAOYSA-N 446.464 0.797 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc23)cc1 744933204 XGDCAFOCKNGQJC-UHFFFAOYSA-N 434.412 0.559 50 20 ICGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 745987818 HHKNFFLCVQFNTJ-OAHLLOKOSA-N 441.466 0.211 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C=CS(=O)(=O)C2)c1 746033949 QIEKHRLECXRZJW-CYBMUJFWSA-N 429.520 0.427 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCc3nc4c(O)nc(=O)n(C)c4[nH]3)n[nH]2)cc1 746236131 RHZDWAICIFRTOB-UHFFFAOYSA-N 436.432 0.455 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1S(N)(=O)=O 751230494 PDAIAFGHPKFWGA-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD CCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cnc2c1c(=O)n(C)c(=O)n2C 753884558 GIUYPNRGGAYNRN-UHFFFAOYSA-N 426.389 0.178 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)ccc1Cl 754847411 WXNPDTGCNFVCMA-LBPRGKRZSA-N 440.865 0.625 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1C 757438232 VMBFIXZOOFLXGB-ATVHPVEESA-N 437.518 0.895 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3Cc4cccc(O)c4C3)nc2)CC1 759488436 UBJISUGHOOMECZ-OAHLLOKOSA-N 446.533 0.517 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 763758946 RACSWJRLFDLGRE-UHFFFAOYSA-N 445.501 0.474 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1c(F)cccc1Br 763920601 ABTUYDXHDFPZAA-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 764081809 JYRWVRUGMKJJSL-GFCCVEGCSA-N 428.511 0.858 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 764177864 XGNOKFXXAHWTCP-UHFFFAOYSA-N 445.457 0.217 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1 764235148 RFCMCDQGZMIQFL-UHFFFAOYSA-N 445.457 0.217 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cn1 764275706 RDELKENHJSAERE-UHFFFAOYSA-N 433.421 0.052 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 764398098 CSCBKFOSAHRJBV-ZDUSSCGKSA-N 441.916 0.229 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 764398108 CUSXJSDKNNWQIW-GFCCVEGCSA-N 439.419 0.655 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)nn1-c1ccc(Cl)c(Cl)c1 764433263 LFPOCISSQUDLBC-ZDUSSCGKSA-N 442.259 0.989 50 20 ICGD CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640098 SBYSRURAWHGIBR-QLFBSQMISA-N 448.524 0.059 50 20 ICGD CCCc1[nH]nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 766644792 WNYCUWADTOOIMV-UHFFFAOYSA-N 443.464 0.489 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 766752687 REDUMPWWGLZBOV-JSGCOSHPSA-N 439.372 0.671 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1 768867907 TUOPQAALACBHPH-UHFFFAOYSA-N 433.493 0.881 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1Cl 769821875 CJQIVZMPNNRTBW-UHFFFAOYSA-N 447.926 0.481 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 770428129 UJWPOWHEJOXPKS-LBPRGKRZSA-N 435.458 0.594 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 782398848 NIGFUFVBYKCTBX-UHFFFAOYSA-N 425.326 0.878 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 783425666 JERIGTNPYCCQQP-KRWDZBQOSA-N 432.930 0.417 50 20 ICGD O=C(NNc1nc2ccccn2n1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 790354586 GOTZVBYASHNQEV-HNNXBMFYSA-N 438.496 0.651 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)n(-c2nc3ccccc3s2)n1 793041659 ZHXDMUFUFUSRRO-UHFFFAOYSA-N 441.473 0.499 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 794489164 XMUITAJSHPKSAC-KGLIPLIRSA-N 430.527 0.286 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 794781082 PDGVNKHBCHQFNZ-CQSZACIVSA-N 434.518 0.931 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@@H]1CCCOC1 795333104 DRPNCKXCPRFCBH-MRXNPFEDSA-N 444.985 0.835 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)c1 797371024 XOEJMSNHCPYQNY-UHFFFAOYSA-N 440.504 0.861 50 20 ICGD O=C(NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc(Cl)cc1 802016987 UEUJIGKBKIHRPV-LBPRGKRZSA-N 427.870 0.658 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)Nc2cc(OC)c(Cl)cc2OC)C(=O)C1=O 802080315 UEFAVYYGQOBWOM-UHFFFAOYSA-N 427.845 0.201 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)cc1 806745412 HZNMAHKAXJVHNN-LBPRGKRZSA-N 432.437 0.493 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNc3ccc(-n4ccnc4)nn3)cc2)CC1 807429529 UQGGNJBEUDCUAR-UHFFFAOYSA-N 449.519 0.882 50 20 ICGD CO[C@@H](C)c1nsc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 809924065 GRWMTBRIHVOBMY-VIFPVBQESA-N 428.496 0.962 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 812931397 DMGXSHNWJLTOGI-ZDUSSCGKSA-N 434.449 0.979 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 814650991 VPEXRIZHZKTLIV-LLVKDONJSA-N 426.416 0.686 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nnn(-c2ccc(F)cc2)c1C 814784527 FNWNCNGZEPYYAA-UHFFFAOYSA-N 446.468 0.140 50 20 ICGD C[C@H]1C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCCN1Cc1ccccc1 814785178 NNAWTBHCCHRFTJ-AWEZNQCLSA-N 430.534 0.728 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Br)c(F)c1 815692349 OZBQVSPCQCSHRI-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nc3ccccc3n2C)c1 816578477 DNGRHPSXABVUFH-UHFFFAOYSA-N 432.506 0.909 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 914564454 FZKPGEMOEFGFEP-AWEZNQCLSA-N 446.890 0.893 50 20 ICGD C[C@@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 916235086 YXIMOTQPGJEBMH-ZIAGYGMSSA-N 430.509 0.765 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccc[nH]1)c(=O)n2Cc1ccccc1 916333466 MEHJDMAWYRILND-UHFFFAOYSA-N 449.471 0.533 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1328880521 LJICUFZBBLBYKG-NSHDSACASA-N 442.437 0.147 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1779544129 YOHYYGYPMXNFJA-AUUYWEPGSA-N 438.557 0.867 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780451092 KSJJLUPTRQCOKU-BFUOFWGJSA-N 427.885 0.796 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786643 BVXAXLKPPJEOFI-SCLBCKFNSA-N 426.857 0.604 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccs3)[C@H]2C1 1786190986 ZCMPGHAURBLHCT-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNc3ccc(F)cc3)[C@H]2C1 1786813919 SOEVQNGCDRYKEE-SNRMKQJTSA-N 449.527 0.590 50 20 ICGD COCCOCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1787832973 LYTSLWRVQHGURU-UHFFFAOYSA-N 426.278 0.777 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncoc3C)[C@H]2C1 1789029855 QHYWSAATASDDFE-OTTMNBPASA-N 442.476 0.710 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2)[C@H](O)CCl 1792981752 SBBWVGDNMCKKQM-ZMJPVWNMSA-N 428.276 0.186 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1F)C2)c1cccc(B(O)O)c1 1795739941 UFIQDGHXZSUIQX-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD O=C(CCc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795777958 INICKTNZOKTHAC-XEMDLRDOSA-N 428.319 0.264 50 20 ICGD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cc2N1 1796193065 LFHFHGOHXQWEEH-ACDBMABISA-N 447.300 0.817 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOC1=O 1797743402 SAEUXXQEFLPGNT-YDOXXCSQSA-N 444.492 0.601 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1798522591 BCERGXCVKAQPTJ-FVCICTRLSA-N 443.416 0.760 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C(F)F)c1=O)c1cccc(B(O)O)c1 1798667260 KETVFKCLLCTMAV-MUJYYYPQSA-N 445.231 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)(F)F)C2 1800977120 RVCLEJZKOGRNNT-LFSVMHDDSA-N 438.834 0.896 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011624 SMNSPBLWVTUBFS-PZTGFMGMSA-N 431.537 0.450 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801255052 DCKBSIWEMDTPEE-BDHJUDLHSA-N 439.476 0.016 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361755 CYWUOYKRLOORNO-LPHOPBHVSA-N 449.276 0.273 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807369414 JADMWGTWPHPYET-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807369599 PNHHALSCLSKQID-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD Cc1ocnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811074018 MLSZTWMNCJXXCB-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814871792 CQAUDPWZERMOHB-LALPHHSUSA-N 445.904 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C\C(=O)NC2CC2)[nH]n1 1822416292 ZSTNUANZKBIHNK-SNGWPZLWSA-N 445.524 0.610 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CC(=O)C2)n[nH]1 1823406449 BOZMIWUCXVRKKU-MRXNPFEDSA-N 425.449 0.693 50 20 ICGD O=C([C@@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399436 ZATFDPFBHDNTLV-TZMCWYRMSA-N 425.852 0.580 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831439119 XEFAPBAYNLAATM-KBXCAEBGSA-N 436.958 0.757 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870461 CPQXJAMDQYFCAA-SFHVURJKSA-N 437.585 0.894 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)c2N1 1833312141 KKEHEVCDUSXXDF-GOSISDBHSA-N 448.951 0.966 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833979213 BYXLOBAFSRMYKI-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834197678 TZRXPTONVIFWMR-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1834408525 JWUDMYHHQDWCLI-CZUORRHYSA-N 433.278 0.664 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3=CCCS3)CC2)CC1)c1ccc(B(O)O)cc1 1834798132 VOXAKJXTNLTYEM-UHFFFAOYSA-N 443.378 0.572 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1C 1835208780 RHZPFDVGWIIGNI-UHFFFAOYSA-N 446.596 0.892 50 20 ICGD Cc1nocc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837513920 FSSPOPUJSHJCMF-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1O 1838972533 HKARHISPEGEZLP-DNVCBOLYSA-N 428.869 0.071 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199201 KFKVAPQDAJSYBC-CZUORRHYSA-N 448.245 0.253 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840052455 GYQKZFOEQSQVRB-XLIONFOSSA-N 428.888 0.814 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1840156586 WNARZRKXXIBVIX-TXPKVOOTSA-N 428.917 0.229 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326666 QSWFGRRUIFXUBZ-CXAGYDPISA-N 429.315 0.582 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841484485 YJVCZOXLLYHDLG-UHFFFAOYSA-N 446.416 0.789 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841764458 JPHHOHMAFZFTCS-QGZVFWFLSA-N 443.309 0.193 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842280134 QWBODUMHGAJPQY-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013203 UHPLWTQLQUHMGP-OAQYLSRUSA-N 433.317 0.240 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCC(=O)N1CCCC1)C2 1843415292 JBEACPIPULCNNC-LFVJCYFKSA-N 442.520 0.726 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847776866 SADHLKRABYKZAT-CZYKHXBRSA-N 434.301 0.994 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)cc1OC 726662426 REAOSWOIHRHGEA-KRWDZBQOSA-N 441.440 0.986 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731761482 NVEYLOHZCWBJRO-UHFFFAOYSA-N 426.539 0.522 50 20 ICGD O=C(CN1CCN(Cc2cccc(F)c2)C(=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 741799719 PKFVMGXZVNDTDI-UHFFFAOYSA-N 429.408 0.839 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Br)c1 742773220 QKOGRMHJRRGPDR-GBOPCIDUSA-N 436.262 0.763 50 20 ICGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745846727 KHTOMNFLMJZRDS-AWEZNQCLSA-N 442.538 0.449 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)Cc1cn2ccccc2n1 746553544 MXZOCCSIZFEZKH-UHFFFAOYSA-N 444.517 0.851 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)c(F)c(F)c3)c2)CCN1 746704718 HBECNUDDNSLTBI-UHFFFAOYSA-N 428.392 0.981 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3O)cn2)C[C@@H](C)O1 747571783 PXOXWRSTJIBSTF-ZIAGYGMSSA-N 446.464 0.456 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C3CC3)nc21 748241297 UWKIWRYIMZCPGQ-UHFFFAOYSA-N 442.476 0.414 50 20 ICGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1=O 750878809 QZWRTKZNYFHYRQ-UHFFFAOYSA-N 449.533 0.621 50 20 ICGD CN1C(=O)C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 755094269 UBVDIJHKEWHSHJ-ZFWWWQNUSA-N 425.848 0.704 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(OCC(F)(F)C(F)F)nc1 756411393 PIFRHTQCGKUDDX-QMMMGPOBSA-N 428.364 0.948 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 758148272 QBRGVKUSYVLLPI-UHFFFAOYSA-N 442.519 0.419 50 20 ICGD O=C(NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)Nc1ccccn1 758838965 AHXISOSNPOOZHV-ZIAGYGMSSA-N 431.449 0.150 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)nc1 759739152 VIXGLFZMTAQVHQ-HXUWFJFHSA-N 427.417 0.787 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccnc3)cc2)CC1 763491847 QJRUQSQOPVHITN-UHFFFAOYSA-N 438.488 0.188 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 763540551 WNRIOLYEMZDEOI-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763809244 TWTFORQJQUISDY-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763872132 KMYYLBFANJYTIB-NSHDSACASA-N 435.433 0.709 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 763896698 RYFJVKZVTYSJEG-UHFFFAOYSA-N 439.519 0.114 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1C 763957736 HUIMOLLOVBFIHK-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764004315 PQZKBOGYTJNDCF-UHFFFAOYSA-N 442.428 0.325 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CSc1ccccc1O 764042392 HFNWGJXFTHYEJG-LLVKDONJSA-N 441.535 0.349 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)CC1 764170125 ZCISINJARUURAA-HXUWFJFHSA-N 437.500 0.918 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc(Br)c1=O 764277054 GWOFUEFISNISRD-UHFFFAOYSA-N 439.222 0.018 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nccnc3OC)cc2)CC1 766265185 YNWWRECUSDHDKH-UHFFFAOYSA-N 441.492 0.274 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H](C)O1 767823433 UNGYNQIONXVPCX-OWCLPIDISA-N 428.530 0.659 50 20 ICGD O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NNC(=O)C(=O)N1CCCC1 769044363 GQPSHHWABDJSGT-UHFFFAOYSA-N 428.537 0.671 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)nc21 770397688 WQCSKEXNSMFDED-CQSZACIVSA-N 447.544 0.320 50 20 ICGD COCc1nc2n(n1)C[C@H](NC(=O)NNc1nc(O)c3cnn(C(C)(C)C)c3n1)CC2 770410347 JOGUUUURZFIXAV-SNVBAGLBSA-N 430.473 0.666 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 771151534 YGNXAYQUGZIEOX-UHFFFAOYSA-N 445.450 0.592 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccnc(S(N)(=O)=O)c1 772423975 AMKQPPHYWQXPSN-UHFFFAOYSA-N 442.837 0.009 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1 777648664 VWASCDVRHGZQSQ-UHFFFAOYSA-N 444.647 0.466 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 781302963 ZUUZGKXQTQBPCE-UHFFFAOYSA-N 427.377 0.347 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1F 784846093 KPAMAURQYCEULO-LLVKDONJSA-N 447.423 0.993 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)n2)c1 785669553 FHXWLVCIOOMLEP-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD O=C(Cn1c(S)nc2ccccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 788874138 JNUVZTZKYYWHAO-UHFFFAOYSA-N 446.514 0.440 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 790953191 XVDXQEUHZZAESL-UHFFFAOYSA-N 433.465 0.814 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1csc(O)n1 792031736 YHPDLXKHQXGARB-UHFFFAOYSA-N 440.503 0.263 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2nnn(Cc3cc(C)no3)c2C)c2ccccc2c1=O 794180394 KIVFLYGLDUFHKN-UHFFFAOYSA-N 436.432 0.736 50 20 ICGD Cc1oc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1S(=O)(=O)N(C)C 795168714 CDNXHSRRBSQSJI-UHFFFAOYSA-N 430.508 0.846 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 795182787 YHYSTPFVYPZZJV-UHFFFAOYSA-N 436.515 0.605 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnnn2C)c1 798823951 VLJQCSLDTQTKEF-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)c2ccccc2c1=O 802417166 LTLKFAQHTZLSJD-UHFFFAOYSA-N 436.494 0.002 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 807381874 MVXWBZZRYKECGL-UHFFFAOYSA-N 425.555 0.641 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cnn1-c1ccc(Cl)cc1 808938549 VJMWCHQYGHYERF-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H](C(=O)NN(C)C(=O)NCC)N1Cc1ccccc1 810853920 BZMCIZBPIRDSBU-CALCHBBNSA-N 447.540 0.405 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 815691071 DVNDPXKVNOCDCD-LBPRGKRZSA-N 426.433 0.668 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1C 815752158 GKBYHUJEPLJDEK-UHFFFAOYSA-N 437.478 0.534 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)n1 818515164 JLSZKVWTAYUOQD-UHFFFAOYSA-N 427.508 0.044 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 879385729 PTFFOHXGWSFPOK-UHFFFAOYSA-N 425.401 0.681 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)no1 912919573 PBBWONOZRKRWIL-IHRRRGAJSA-N 427.527 0.690 50 20 ICGD C=C(C)CNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916112719 MJLAJWCUMGUPNH-UHFFFAOYSA-N 426.564 0.712 50 20 ICGD O=C(NCc1cccnc1-n1cccn1)NNC(=O)c1csc(N2CCOCC2)n1 916415312 SPAFFCLKFSIERK-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD N#Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 916612481 KBDNZSFWALYACN-UHFFFAOYSA-N 444.469 0.419 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2S1(=O)=O 917519532 NIWCQZSXNWKFRO-OAHLLOKOSA-N 431.426 0.452 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccc(F)c(F)c2)ccc1Cl 918673003 GJPWEPOXKQFVMS-UHFFFAOYSA-N 446.819 0.457 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 919472360 CFCFLYQHSQLFBT-INIZCTEOSA-N 425.507 0.894 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N[C@H]1CCS(=O)(=O)C1 919888347 MIRXKTVNFLMYDI-WDEREUQCSA-N 449.316 0.864 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 920384226 JNYWEXFFCZHVTH-ZDUSSCGKSA-N 440.503 0.675 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C 921183717 XYVVSWJLCGSFLL-UHFFFAOYSA-N 443.485 0.895 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 1248407607 ZKNVVPZRFSYHDI-UHFFFAOYSA-N 444.469 0.567 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1254184027 JAIUDIREOBBJRY-UGSOOPFHSA-N 443.547 0.854 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 1318222651 MWIJKCHAUHFAIH-UHFFFAOYSA-N 437.566 0.593 50 20 ICGD N#Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)cc1 1320612630 QOJUFKGSJHYWNB-AWEZNQCLSA-N 440.485 0.665 50 20 ICGD CCN1CCN(CC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C(=O)C1=O 1321845497 UHVOOOKNJNKKHV-UHFFFAOYSA-N 437.382 0.691 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522192 SVVAKDLDPNFZBF-DIFFPNOSSA-N 441.282 0.649 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 1779574892 MHOAOEXCVAXWGI-NRFANRHFSA-N 434.541 0.524 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781733670 KHEGJXNMUWOKHZ-RXVVDRJESA-N 437.924 0.566 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659405 PIJFCRQDPFMGJR-CXAGYDPISA-N 427.299 0.104 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cnccc3n1)CCO2 1783934509 GCUXIQNMBPTUEH-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947260 QXEPQDAODRQOOG-BDJLRTHQSA-N 426.297 0.463 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)no3)[C@H]2C1 1786068024 JBGNLFAWPJAICV-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979442 JOCFLAJPSQBYAB-KDEIEAFCSA-N 434.301 0.673 50 20 ICGD CC(C)Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n(C)n1 1787209546 WIJDWMWWNYYTDK-PLYYQAHHSA-N 426.945 0.812 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787499916 FNJHMDCQZUCCBF-LQSBQDLSSA-N 430.958 0.786 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925106 NMYWQZFVEBMAKD-FPTLTGCRSA-N 439.278 0.272 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C(C)C)n3)C[C@@H]21 1791252900 WSLKLOSZUCJLLY-XQLPTFJDSA-N 428.917 0.969 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291243 QMUZXZRZURGZAC-UMGGQSCQSA-N 445.564 0.840 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793371772 URYWSQGGTBJWRG-RXGFPQBGSA-N 425.345 0.040 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cnc(OCF)cn1 1794407511 DBRKJUSANPCARJ-QHBPRCKVSA-N 431.262 0.771 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112808 QAMPVBMKCRFQHE-IVSAIRAKSA-N 425.327 0.326 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3s1)C2)c1ccc(B(O)O)cc1 1795734402 GJTVKGLIIPSPHG-JLVBRIDZSA-N 440.286 0.691 50 20 ICGD O=C(CNc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191170 GUNMQNDAWKXKJX-ACDBMABISA-N 425.269 0.869 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890991 SXCPVDONYQPORJ-MMHXOUGLSA-N 430.509 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2 1797754433 WYMOQXAKNWAMFZ-KVNUXVDHSA-N 449.511 0.692 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797986430 URZBRBCDIAARCP-XFMPKHEZSA-N 426.901 0.382 50 20 ICGD CCn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cc1C 1798439999 RWLRVWWYIWFMHG-QDMKHBRRSA-N 425.493 0.776 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cccc(-c2cnccn2)c1 1798585549 GQLSLUPADZMHLK-UKBAYJJMSA-N 430.892 0.947 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccc1C 1798972471 NAYKIQCRWGTHAH-UPHUGPLXSA-N 432.521 0.580 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1)NC(=O)NCc1ccccc1 1800360833 WINNWTCDHFVNJQ-IZZQQSIFSA-N 447.511 0.424 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800575678 XAUOUOWREWXZSM-IOTPTSGKSA-N 426.322 0.396 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2 1801011131 GTGLXBABWWYYEM-HGKCTWBKSA-N 428.493 0.091 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1 1803653315 QBDOWWMHQWDKMX-SWIMNWDESA-N 437.280 0.973 50 20 ICGD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804692758 WYZZZOXSAHSLLD-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806560086 AJYQWIYCLXHQCY-UHFFFAOYSA-N 429.326 0.080 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@H]1c1cccnc1 1808661354 JGHMPYIGFSTCJJ-YUELXQCFSA-N 441.305 0.618 50 20 ICGD O=C(CCN1CCCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977626 FSQQDDUDCUMZCY-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339930 VFJVXWKSMKZZGX-YLVFBTJISA-N 430.339 0.422 50 20 ICGD CC(C)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339963 XUGKEZKRDOWEQU-HNNXBMFYSA-N 430.339 0.437 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnn1 1817477087 LKVMKHQUCVSGRR-GUYCJALGSA-N 437.269 0.248 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)no1 1819464811 JDAMSMQHMQIVLQ-ZIAGYGMSSA-N 438.872 0.728 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798138 YSYCVOLXLKUSTQ-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1ccnn1 1824695163 NIHGCCWUTXASJE-NWDGAFQWSA-N 434.526 0.281 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896999 PQRNAHQILWQJTL-VQIMIIECSA-N 446.386 0.958 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830543708 ZFLZAPZTJOWLLV-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719941 PEQSQAWJBRWZTH-MGPUTAFESA-N 442.896 0.130 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736440 SLHVODGWKAMRMX-DYESRHJHSA-N 449.891 0.610 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830772531 DQNKZCJKPCHPHE-GRDNDAEWSA-N 436.322 0.618 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831869824 NFNXHNARPINEQM-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832027132 PKXHAKONQDPCNY-KNQAVFIVSA-N 447.919 0.833 50 20 ICGD COC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833116133 XCCAEDOJCSTCDA-UHFFFAOYSA-N 446.552 0.295 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834059 IRFQEJYXDQMSKH-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1835845556 SWKBJVDNFINRLY-OAHLLOKOSA-N 437.368 0.513 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839148336 VODAKXYXLQWFND-HNAYVOBHSA-N 426.901 0.589 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n(C)n1 1839151249 LQMZKOPFQMBTMB-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839656390 NPCYITHQTBWJDG-WRWLIDTKSA-N 425.913 0.316 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839962862 TXWPWEASJSTPLQ-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1839965378 XBWITEYZXVLCFK-BZNIZROVSA-N 431.287 0.359 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840031816 CSXILCNNZXYKND-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1840150735 PUKUFVWNRRPLFL-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1840151085 VYDCYXMTDRTWIV-OXJNMPFZSA-N 442.944 0.962 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840190992 ZBJCHCSQGCBZGM-XIKOKIGWSA-N 431.320 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)C2 1846383933 KATBIBPEFPDZFC-GOSISDBHSA-N 427.505 0.756 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc2c(c1)OCCO2 728259046 DMQOKJZTYMCMMG-UHFFFAOYSA-N 437.386 0.761 50 20 ICGD CCCN(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730271127 LMLILMYOKDFJIF-UHFFFAOYSA-N 426.539 0.129 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)NCC#N 731187080 CGGBYPJNJKUDGD-UHFFFAOYSA-N 435.487 0.049 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 731892104 UQSWANFUBXQAPQ-HIFRSBDPSA-N 438.554 0.961 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc21 734419280 OOYUFFKEGZWDOK-UHFFFAOYSA-N 437.499 0.622 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 734428368 PTXJMEUTXVOGDO-IPYPFGDCSA-N 428.898 0.377 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 741176208 STLKCVZIWJXECQ-MRXNPFEDSA-N 436.511 0.856 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 744385209 NDUFTMIDIMKNAL-UHFFFAOYSA-N 438.463 0.715 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C 747992233 NVRRJLZYXZNZMP-JJBLJPBOSA-N 437.566 0.652 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)COc1ccc(I)cc1 751206358 FNGAREHANVCOHJ-UHFFFAOYSA-N 443.197 0.840 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)sc2nc3n(c(=O)c12)CCC3 751211873 XJLDEMWBECGYJW-UHFFFAOYSA-N 431.499 0.965 50 20 ICGD CC(C)c1ccccc1OCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 752127908 TXFYLYFVTUIBQD-UHFFFAOYSA-N 442.476 0.174 50 20 ICGD Cn1c(=O)oc2cc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 754902422 ZOVRTEHUCWXRSJ-UHFFFAOYSA-N 444.469 0.916 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755039738 STNULFODBYREID-AWEZNQCLSA-N 437.522 0.745 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(C(F)(F)F)nn1 755197669 REJOWETUUIJGFI-MRVPVSSYSA-N 432.384 0.404 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757798017 RKEQYAVKKFQLNW-RDTXWAMCSA-N 435.550 0.898 50 20 ICGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 760334859 MKQIVSIJDDNFSE-UHFFFAOYSA-N 436.475 0.079 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 763678318 CNYBDDPQBRORFC-UHFFFAOYSA-N 430.392 0.943 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 763818670 NINBVJISDYBOHK-INIZCTEOSA-N 427.436 0.650 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-n2cncn2)c(F)c1 764005663 FEMJLMPKIMZCNP-UHFFFAOYSA-N 426.364 0.577 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1NS(C)(=O)=O 764040675 IVMVDBICRLYNSM-UHFFFAOYSA-N 436.446 0.475 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764163537 KRKVDQQUTPYLHP-OAHLLOKOSA-N 437.861 0.833 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 764230416 HYLMHQTZDJYUGW-GFCCVEGCSA-N 444.473 0.049 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 764234478 YEJYGQIOJDVDBA-CQSZACIVSA-N 428.470 0.110 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1-n1cnnn1 764348900 BTARVUBEOPEYPU-UHFFFAOYSA-N 431.796 0.430 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 764428745 KQCUBHXHVAKHNK-FZEVHQGJSA-N 445.497 0.637 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 765404674 GJORJIOQESMMQL-UHFFFAOYSA-N 442.494 0.976 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)OCC(C)C)CC2)cc1 766635827 GIOMZLIKQAOWML-KRWDZBQOSA-N 440.566 0.510 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771854503 STCPMAGRVNCUOH-CYBMUJFWSA-N 438.506 0.631 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 771888347 MFKNBJFRFGPLFP-HZSPNIEDSA-N 441.506 0.587 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n1 773727072 VDIQWGZNVPRZNF-CQSZACIVSA-N 429.437 0.868 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccn1 777473449 IYJIGADBLADYSP-CQSZACIVSA-N 446.938 0.960 50 20 ICGD O=C(CO)NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 777781701 IMXNJJMKBIZWPW-UHFFFAOYSA-N 436.465 0.090 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCS(=O)(=O)C1 783428388 VCAYKMRWCNAXKU-KRWDZBQOSA-N 425.898 0.721 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005101 OOPFCIMOFQWCNY-UHFFFAOYSA-N 431.474 0.404 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784523104 GAYISKKYKQVGCL-CABCVRRESA-N 437.518 0.983 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785067794 OEZFBZCBGZTXBB-UHFFFAOYSA-N 443.485 0.845 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cnn1-c1ccc(O)nn1 794077442 VMBYGXYKIRXMIO-UHFFFAOYSA-N 425.405 0.364 50 20 ICGD COCc1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)no1 794920542 NKLYOWWDLJDMFA-UHFFFAOYSA-N 435.506 0.586 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 797093384 PEJHTLFHNFVADW-UHFFFAOYSA-N 437.460 0.829 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 802058177 BUVDGAXPZSYANA-GUYCJALGSA-N 436.490 0.884 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(Br)n1C 808070549 XZJILZYCVIRZRK-UHFFFAOYSA-N 441.271 0.090 50 20 ICGD CN(C)c1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ncn1 810222192 OWTNYACEAGKJLH-UHFFFAOYSA-N 433.494 0.794 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]1CCOC1 812225280 BXMJVBZBEWRNOR-MELADBBJSA-N 432.543 0.690 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCc2ccc(CC(N)=O)cc2)nc1 812482106 SGTABNXYXZNIPD-UHFFFAOYSA-N 434.522 0.966 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 812730405 HUUMIPJYVPAKOY-MSOLQXFVSA-N 436.534 0.821 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814211103 OZSDXOZLQXVEKQ-UHFFFAOYSA-N 448.457 0.036 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814652253 VDRDFMZOKJPYCS-TZMCWYRMSA-N 443.464 0.375 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc2NC1=O 815751901 TYUJYNGZKLSPOM-NSHDSACASA-N 447.473 0.738 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNc2ncncc2F)c1OC 817077454 GGTODOMNIUSKQR-UHFFFAOYSA-N 441.441 0.411 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)c2ccccc2c1=O 916126953 YCIXTXKXXYPTSL-UHFFFAOYSA-N 447.473 0.739 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC 916237824 MWGPLSNWSBQJJL-UHFFFAOYSA-N 428.511 0.852 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3ccccc3OC)C2=O)cc1 919820541 NLIPITGDXOHOOP-JOCHJYFZSA-N 440.456 0.861 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 920007124 BZMHJXOAAQEFSB-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)nc2n(C)c1=O 1248583297 PGNXKEITTIROAM-UHFFFAOYSA-N 432.234 0.470 50 20 ICGD Nc1cnnc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1Cl 1253124677 XFSDEFQXHIXXAZ-UHFFFAOYSA-N 440.913 0.809 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779538738 GEBGDVWWBSCRLB-RZQQEMMASA-N 425.602 0.878 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1)C(=O)O 1779543587 IZLHWZILSOXOMT-SPYBWZPUSA-N 429.590 0.415 50 20 ICGD CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970375 UWYOOISMAFYAQJ-QFIPXVFZSA-N 431.537 0.963 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)no1 1781330950 IYFNNDLOAQWGAT-GDBMZVCRSA-N 447.261 0.832 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3Cl)C2)C1 1781680311 OPMQQEVFCKEWDU-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CBr)C2 1782392428 VMCJCBIDFDUGIU-PBFPGSCMSA-N 434.331 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604861 GPEFPUCXINZUCR-DJPFJPOOSA-N 434.924 0.836 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCSC1 1783201233 MUUMEOPXAXOHMO-LRXVAGHRSA-N 446.378 0.637 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1783534087 PJBVIVIRTOQRBG-OGHNNQOOSA-N 426.315 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNc3ccccc31)CCO2 1783933608 AYTRRBWLZRSHRE-VGSWGCGISA-N 429.521 0.399 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784492559 IEFDQNLHVSWCPQ-KKSFZXQISA-N 433.509 0.052 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744267 BSLRXPNREGHUSK-IUODEOHRSA-N 425.345 0.425 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729349 ALALQILKDBZLSB-QZWWFDLISA-N 445.402 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4cncc34)[C@H]2C1 1788424025 QYCRVUUHOOIKJL-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1790960324 AXTUASQZVDBGRR-CYDGBPFRSA-N 443.346 0.473 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C(C)C)n3)C[C@@H]21 1791252899 WSLKLOSZUCJLLY-AJNGGQMLSA-N 428.917 0.969 50 20 ICGD CCn1nc(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289066 HNTOXLYHIBCYKS-BQFCYCMXSA-N 434.541 0.178 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 1792421324 DMBCPODWBWJVDI-KPEUIFRASA-N 425.869 0.981 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2)c1ccc(B(O)O)cc1 1795734854 ZNUQJSJMEPOZSD-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2)c1cccc(B(O)O)c1 1795740528 FBZXRQIRSFJWJJ-OPMZPASUSA-N 440.280 0.342 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1conc1C)C2 1796440932 FHHIJSKFTQXUGP-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797778812 FFHCLQGLMDDSLF-ARUSPNSKSA-N 426.315 0.650 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)nn1 1798369499 DICFHVOJZHHBEG-MCYUEQNJSA-N 427.299 0.719 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncon1)C2)NC(=O)NCc1ccccc1 1799869879 USUNOSCGXJAOKE-BJWYYQGGSA-N 441.492 0.668 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1800642434 HTLGFSUEPXEXFV-FAXLKDOZSA-N 426.311 0.762 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804186660 IXIOUPGYVMMVQF-HNAYVOBHSA-N 447.568 0.491 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n1 1807103673 DLRWBKNLGZZOMX-UHFFFAOYSA-N 438.337 0.725 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363436 OUKNQLHLYPESNU-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807374011 FWMBZONLZRAYKX-UYAOXDASSA-N 448.288 1.000 50 20 ICGD Cc1ncc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)cn1 1807922218 MVFNOKPPTUTXIS-UHFFFAOYSA-N 437.504 0.942 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CC1(F)F 1809521007 BMJFUASNUWGQDS-SZMVWBNQSA-N 429.232 0.736 50 20 ICGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295030 PGOXDEXEKRSSCW-WMLDXEAASA-N 442.476 0.019 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)no1 1810976352 BRSFTOPRKVKPKK-DNVCBOLYSA-N 436.233 0.088 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713339 VKNNVWGJKOTHCP-BJLQDIEVSA-N 440.972 0.782 50 20 ICGD CC[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690952 CWKLKDHBXVICTC-IUCAKERBSA-N 428.316 0.915 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1817565286 RYOXJKOBIUUMLV-INIZCTEOSA-N 438.253 0.330 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1)n1cnnn1 1823013805 JUXDLQTWIPXPTC-XSSZXYGBSA-N 432.279 0.993 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCCC2=O)CC1 1826729447 APXUOEZRFZKEQL-GOSISDBHSA-N 435.569 0.602 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)NC=O)CC1 1827679335 YBGMIBUFPHELSB-DSOYRZJRSA-N 444.536 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1828923593 NMKSBXWGHALQNY-SJORKVTESA-N 444.492 0.027 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829717339 ALRPNDPGHXVILN-QGZVFWFLSA-N 432.525 0.376 50 20 ICGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728181 QBRSBNDHCFQNMF-IFXJQAMLSA-N 426.853 0.085 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831646566 LFQXDVVERRCAHH-IFXJQAMLSA-N 436.900 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832165978 ICCRQIKYNWBZDO-CQDKDKBSSA-N 432.823 0.010 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ncc(Cl)cn3)CC2)CC1)[C@H](O)CCl 1833308658 ZUIHEHKRRTXPMP-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833488653 OSFZEOFZEUINRA-DJJJIMSYSA-N 440.884 0.652 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1834120330 KKXZVWRHZNHVSN-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835372615 UWRNHJVZKSUDNZ-VQIMIIECSA-N 446.386 0.960 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837240803 BBKZPQOXSJIOLQ-DNOBIOAJSA-N 434.631 0.453 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838785525 IDHIMNFNZOCZNF-QGZVFWFLSA-N 446.976 0.612 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1838945031 RYOGUSZNUOZAHK-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840029557 JIIUKVMOTAPKIO-KBXCAEBGSA-N 432.359 0.568 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1840152392 HDUZEHSVKRSMAG-IERDGZPVSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1840154931 KTAJHOQPWQWMHK-BLVKFPJESA-N 448.850 0.994 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840728691 RZUUQMMUAHXKQO-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841377711 FWIRNPJKBCKZKP-UHFFFAOYSA-N 430.310 0.695 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)CCN2C(=O)Cc3ccccc3C2=O)C1 1841400650 BXBCCWFZKAIHJU-MRXNPFEDSA-N 433.892 0.405 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccc2c1OCCO2 1843013695 BBRCKBZSFRRFCK-UHFFFAOYSA-N 436.273 0.577 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)co1 1844250050 WVZHOXDWZQOHTC-UHFFFAOYSA-N 426.354 0.635 50 20 ICGD COc1cnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(F)c1 1844263695 JNUYQYLNVCIYKV-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)C1 1844777039 KMQRCCXNNZINIW-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846342021 PNIQZXOHWPJNBG-HZPDHXFCSA-N 441.488 0.258 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Br 1847512519 PDIONPGSPUGRPV-NNYUYHANSA-N 438.294 0.764 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 14843656 ZIBCMWBDBBIDPW-UHFFFAOYSA-N 433.424 0.156 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15524758 WAAOIHGVGMNAIP-UHFFFAOYSA-N 449.485 0.556 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1OC 28686692 SWCAHPJXYYPCAT-UHFFFAOYSA-N 434.430 0.608 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 735647598 VFGBXMGDGKCGAE-MRXNPFEDSA-N 442.505 0.520 50 20 ICGD CCCNC(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 741373283 HBNMWLYSTUUMHE-GOSISDBHSA-N 441.440 0.971 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 741415453 LVVLEMRYRQFXAQ-HHHXNRCGSA-N 432.568 0.493 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1F 741658626 CLZDLMKKYBLVCO-KRWDZBQOSA-N 429.387 0.969 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(Cc3ccccn3)nn2)cc1 742471820 KWBFVZHOEVNYFV-UHFFFAOYSA-N 443.489 0.112 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)N1C(=O)c2ccccc2C1=O 746223934 KHCUGRRJLQSHIS-SFHVURJKSA-N 447.451 0.719 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 746642275 XQXAAJFFIQRMIB-MSOLQXFVSA-N 437.456 0.796 50 20 ICGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747778351 FULXUPTZEHAOPY-GOSISDBHSA-N 435.444 0.961 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cnn(-c2ccccn2)c1C 748250911 QGSUGNNDXYOAMA-UHFFFAOYSA-N 428.478 0.001 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3cccc(C=O)c3)cc2)CC1 748621219 YLLNUSUMDMLLHI-UHFFFAOYSA-N 432.502 0.957 50 20 ICGD O=C(O)c1ccc(O)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 748674708 XRXQHGQOQIRWIQ-UHFFFAOYSA-N 428.448 0.007 50 20 ICGD Cc1nnc2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cn12 749403509 MJFSGHYIBNMEON-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD CNS(=O)(=O)[C@@H]1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1 750515842 JERKZYWZUNKWME-CQSZACIVSA-N 431.518 0.807 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 751270168 NYDSJHRTCVFHLV-UHFFFAOYSA-N 426.378 0.684 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2c1=O 751805054 TYORKBDOEWQIKD-UHFFFAOYSA-N 430.465 0.980 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1OC 753117755 QXHDMEJEQGMJBW-CQSZACIVSA-N 428.511 0.852 50 20 ICGD CCc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(N)(=O)=O 756525496 PPQWZDUEIUXTRM-UHFFFAOYSA-N 444.473 0.610 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccccc2F)c1=O 757781014 OLCSPKUORQDVHI-UHFFFAOYSA-N 426.426 0.264 50 20 ICGD CNc1nnc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1 759378618 JCVRZRDADPOGEQ-UHFFFAOYSA-N 438.535 0.758 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(Cc2ccccc2)C1=O 761788320 TXXKIFWQRJWDTQ-SFHVURJKSA-N 434.460 0.798 50 20 ICGD Cn1nccc1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763163007 YTMJWYIWONVHBZ-UHFFFAOYSA-N 434.522 0.781 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 763649151 ZRFULLUOWNORTB-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)c1 763718904 RQCPCGLXDASBPJ-UHFFFAOYSA-N 444.391 0.754 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763804887 WJWUONNBGOWHKY-UHFFFAOYSA-N 430.348 0.911 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)c2cccn2C)c1OC 763994873 ACAVZPLOIVBKIQ-UHFFFAOYSA-N 426.433 0.687 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)n[nH]1 765587247 RNPDQUAFYXFOIS-UHFFFAOYSA-N 430.284 0.806 50 20 ICGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CS2 766644356 UYBHBQQXYGCCNC-KKSFZXQISA-N 445.545 0.046 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768237527 MDYOMHRHCLTLEJ-UHFFFAOYSA-N 439.407 0.844 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CCc2ccccc2O)C1=O 771261879 YLYIIJWVZYNKPH-QFIPXVFZSA-N 440.456 0.948 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 774002605 SDTWJBCPJXMBQB-NSHDSACASA-N 429.824 0.869 50 20 ICGD CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(CC(=O)NNC(=O)C(C)(C)C)C2)C(=O)C1 776839528 RITZMNKYLNTPKZ-OAHLLOKOSA-N 439.557 0.724 50 20 ICGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782895838 AAJBMNWTQPIXKB-UHFFFAOYSA-N 447.448 0.531 50 20 ICGD COc1cc(F)ccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783263678 JCYBMILOHUNMQJ-UHFFFAOYSA-N 425.442 0.998 50 20 ICGD Cc1ccn(C)c1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 784305676 RCAVHXYZCDFDPP-UHFFFAOYSA-N 434.518 0.748 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 784853959 RXYTWCJKBNDHPA-UHFFFAOYSA-N 443.464 0.549 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c(OCCN(C)C)c1 785022776 JVZVLIWWPNMAEQ-UHFFFAOYSA-N 445.432 0.949 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnn1CC1CCCC1 789187524 FIMFWLIITFJFPZ-QGZVFWFLSA-N 443.460 0.921 50 20 ICGD CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cccc21 789756380 CLBYRHRHBYVHCX-CQSZACIVSA-N 429.433 0.181 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1csc(N2CCOCC2)n1 791020356 NQQVJLNXQLCJAJ-ZDUSSCGKSA-N 436.515 0.702 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)n1 793221666 ZIFQJVQKIZTQFR-UHFFFAOYSA-N 438.554 0.871 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(Cl)cc1C(=O)O 793446927 JTKCMNLLDHISJW-QMMMGPOBSA-N 429.842 0.210 50 20 ICGD O=C(NNC(=O)c1cc(Br)cnc1OCC1CC1)N[C@@H]1CCS(=O)(=O)C1 795526731 CZYGFTFQFSHHSF-LLVKDONJSA-N 447.311 0.764 50 20 ICGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 807379044 RGNQGZBLIWHQFJ-CABCVRRESA-N 426.562 0.200 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 807379909 IUCFVRQPVOKLGS-UHFFFAOYSA-N 429.930 0.726 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc2C1=O 815751673 JMBXMGAEJODQRT-UHFFFAOYSA-N 445.501 0.647 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 861521898 ZJJPKFCCFDHWSY-UHFFFAOYSA-N 433.442 0.700 50 20 ICGD C=CCNC(=S)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 913438087 LIRXCCKHIVAZHH-UHFFFAOYSA-N 442.563 0.978 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cccs1 915188753 OYFFQNIUMPJBFI-UHFFFAOYSA-N 445.548 0.089 50 20 ICGD O=C(NCC#Cc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916246186 IXHRFUOTXPWUGI-UHFFFAOYSA-N 442.497 0.703 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C)Sc2nnnn2C2CC2)c2ccccc2c1=O 918409293 JCOGMJMHBSNQBU-SNVBAGLBSA-N 428.478 0.680 50 20 ICGD COc1ccc(Br)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919960744 FZNKDUBQDCAWIL-VIFPVBQESA-N 442.313 0.137 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c2ccccc2c1=O 1319628838 MNQKZSKKVZLOMH-ZDUSSCGKSA-N 446.489 0.759 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1321827007 MWBOBGSVPOKCJQ-UHFFFAOYSA-N 443.485 0.872 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CBr)C2 1777976796 GUNNUGUPOIMDSI-KYZVSKTDSA-N 447.374 0.978 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782208907 ABAIOVREXLUNJN-NJNPRVFISA-N 448.568 0.406 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681401 ZKTKVEGFZDPETJ-SJCJKPOMSA-N 443.298 0.564 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1C(F)(F)F 1784090841 OEYKZJQHNUZILP-YFKTTZPYSA-N 438.834 0.632 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785333432 PNZHWIINTKSXCD-LAUBAEHRSA-N 437.924 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4O3)[C@H]2C1 1788186445 KPKRCEKNXRVWIP-ZULIPRJHSA-N 444.532 0.343 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1791058140 QTLRFGVZJDJCFO-QPSCCSFWSA-N 426.311 0.611 50 20 ICGD CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1C 1791291351 SWZQOIOBAZCGHK-BQFCYCMXSA-N 434.541 0.178 50 20 ICGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791307560 NUDXXPZSPPZEJQ-PJSNJIKXSA-N 427.336 0.771 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)COC1 1792619026 FEYCCEHVLORNGQ-XGUBFFRZSA-N 445.944 0.745 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1792868052 NZNIBZCHVARNQJ-MWGHHZFTSA-N 429.271 0.122 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795111292 AUWHWNSYNTZIDS-QHBPRCKVSA-N 430.259 0.166 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)C1 1796368246 GXVKZIRWKDBSEO-ZRKYPZEGSA-N 449.907 0.482 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)cn1 1796561036 YEFABYUYYRZFAQ-YWVIFJGQSA-N 440.294 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2cnccc12 1797472775 QBQCPJVTXYDACA-FAQVEIGNSA-N 439.516 0.811 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816570 LJOCWAKLZISSNA-OPJNXSHCSA-N 432.315 0.888 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cccc(N2CCOCC2)c1 1799611135 KJYKUNPGFZSOBX-NBMJBFSESA-N 437.924 0.326 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1800977463 PYGADSCOEKMQMY-OQMKEHIESA-N 427.841 0.757 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2 1801012549 AATQECOLPMTFQF-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)C1(O)CCC1 1804833665 FHCRQQJJCWLRAU-KRWDZBQOSA-N 428.338 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc[n+]([O-])c3)C2)CC1 1807341256 NLDARLDZVPRBGD-UHFFFAOYSA-N 438.488 0.477 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807371251 RRQNBOPGUWMILY-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1808253464 ZTWONWPWLKTMBF-FOIQADDNSA-N 448.487 0.366 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1ccnn1 1809980198 LNLBTPNXMJKRNW-MRXNPFEDSA-N 425.298 0.064 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1812864184 NVBMYTQSRSPZTA-AEIGPULVSA-N 440.342 0.464 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1813030718 FYZGMUKLXMTZHU-KEYYUXOJSA-N 435.916 0.674 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813071697 WFTPFVKNXPTULU-HRAATJIYSA-N 443.508 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[nH]1 1815624424 BEPJGXRQNHKSHJ-OAHLLOKOSA-N 446.512 0.383 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403696 BEFDGDISFFMBBT-INIZCTEOSA-N 442.480 0.240 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050187 IBBPUTPWYGWCAW-NRFANRHFSA-N 438.337 0.956 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827687844 QGLPEZJHTISKIG-IERDGZPVSA-N 443.353 0.467 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C1(O)CCC1 1829733041 CJRMZJPLJMVRCQ-PBHICJAKSA-N 433.343 0.779 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1830538446 FWJTYSAUBUMAIV-YOEHRIQHSA-N 429.315 0.371 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n[nH]1 1830543617 WNKLORHZEHYJKE-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1N 1830722904 JBVCJZQEOXYBAD-BEFAXECRSA-N 429.876 0.386 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1831173911 PACVJKYTSFTIAJ-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831174630 FOJCHTDMJXKIIR-PMUMKWKESA-N 448.358 0.389 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1831954989 ALHQNHMKSVAYHI-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n(C)n1 1833448232 YXRREKWJQZZRFR-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD O=C(c1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834481856 SPPSVORIHNIFAW-BBRMVZONSA-N 434.237 0.981 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835292773 LDGPVHZFVFVDMM-ABSDTBQOSA-N 426.897 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056891 UCHFDWWEFKHWEA-APWZRJJASA-N 426.901 0.119 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446800 GGCVEFRAMWIOHZ-VSWNAAFFSA-N 430.933 0.168 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1837920972 NSWJVTIQWLDPKS-GOSISDBHSA-N 444.337 0.405 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839143885 KOIOQFUAGBBDGT-IFXJQAMLSA-N 437.884 0.522 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c1 1839152326 WJUVANKASNXMAO-ROUUACIJSA-N 433.336 0.884 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1840150585 NLDNVWXEDZRVDR-SCLBCKFNSA-N 432.880 0.191 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1 1840153939 GFVXUPKNVMFDGU-HNAYVOBHSA-N 429.901 0.485 50 20 ICGD CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccn1 1840327579 PTOVDNUJSNVKNN-FOIQADDNSA-N 425.913 0.415 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)COc2cccc(Cl)c2)C1 1841203311 UELCYUIUWUNMDE-UHFFFAOYSA-N 428.681 0.916 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842839938 VWHDDRIEIHNTQH-XQNSMLJCSA-N 430.509 0.046 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825081 NZRWXTZCBJPVPZ-GFCCVEGCSA-N 431.218 0.650 50 20 ICGD O=C(Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1csc(N2CCOCC2)n1 16496083 RBKHJABSMJBEKP-UHFFFAOYSA-N 430.446 0.258 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 26963365 HWNQKFLYEIVULQ-NRFANRHFSA-N 440.412 0.652 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1OCC(=O)O 726155680 OHOFLEMUMAAHIH-UHFFFAOYSA-N 446.445 0.366 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc(-c2ccccc2)no1 728081455 YEYNYVOWXXUTSX-UHFFFAOYSA-N 432.462 0.853 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)C1=O 729346539 YYAPJQDQMGCHJO-UHFFFAOYSA-N 427.339 0.513 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccn(-c2cccc(Br)c2)n1 730165357 IDAFNQHYQRAHSF-JTQLQIEISA-N 427.280 0.831 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2)cc1 731864783 DNQGGZJMTGTCJL-INIZCTEOSA-N 432.458 0.536 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)cc1F 732046007 PPVJKJMWSGCZRL-CQSZACIVSA-N 428.369 0.901 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cn1 735473460 WBVAJFADGZDAPI-UHFFFAOYSA-N 442.295 0.698 50 20 ICGD CS[C@H]1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 745898339 XGGVTCHWWOLPEL-KBPBESRZSA-N 428.584 0.928 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)c2ccccc2C1=O 746285465 QTGHLKVRXPJVHU-KRWDZBQOSA-N 438.440 0.281 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@]2(N(C)C)CCSC2)cc1 748648481 XXUIZIVTTCYZKT-GOSISDBHSA-N 443.595 0.383 50 20 ICGD COC(=O)c1csc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 749152548 TWCVTDSZEAXREJ-UHFFFAOYSA-N 432.505 0.451 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1 753785823 NLEYSCFSKZNQBF-SFHVURJKSA-N 440.566 0.057 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(C(C)C)cn2)cc1 753949980 WLAFLXXBLOUTNA-UHFFFAOYSA-N 429.524 0.403 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)o1 754139552 FYHYXNROXJOJNP-UHFFFAOYSA-N 429.838 0.600 50 20 ICGD Cc1nc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1 755409968 CUZBGNNIQUFESE-UHFFFAOYSA-N 442.461 0.205 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cn(C)nn1)N(S(C)(=O)=O)CC2 755573316 UHQIRFYFZWXNSZ-OAHLLOKOSA-N 436.494 0.232 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 757048268 PVDVIYOPASGCSO-GFENJXEQSA-N 426.477 0.771 50 20 ICGD Cc1ccc(I)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758029760 NSKMDAUQBQVMAB-QMMMGPOBSA-N 425.248 0.298 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763551182 MSYGZZSDEBMJOM-UHFFFAOYSA-N 434.430 0.065 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 763631588 ZKMLGFVTTXZEQX-UHFFFAOYSA-N 438.440 0.809 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 763685860 YQNDLTSXZKLNJE-INIZCTEOSA-N 447.831 0.833 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1 763718309 JSGSVAGAHBETPS-UHFFFAOYSA-N 435.462 0.049 50 20 ICGD O=C(NNC(=O)C1=S=C2CCCC2=C1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763781307 ISLMBNPSJDGLCM-UHFFFAOYSA-N 442.497 0.447 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1C 763853309 YGHCSVVAGGINLK-AWEZNQCLSA-N 430.465 0.142 50 20 ICGD CC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763945598 ZZEQQWUGFTXYEH-UHFFFAOYSA-N 436.428 0.960 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 764002700 QRPBMXLNLNLWOB-UHFFFAOYSA-N 426.227 0.610 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 764003113 YSGSHELUMMLOLZ-KRWDZBQOSA-N 425.466 0.607 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2OC)c2ccccc2O1 764041044 PSAGYDJXLOXPIR-SFHVURJKSA-N 440.456 0.777 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1 764230511 ATCVVSXYASPKQA-UHFFFAOYSA-N 441.469 0.707 50 20 ICGD COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2)cc1 764285820 MQWIUWMWAQUGKO-UHFFFAOYSA-N 436.428 0.999 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1 766991088 UKZYXVIHOWCZRQ-UHFFFAOYSA-N 431.268 0.808 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F 767270715 GTKSVSWXEXEIKQ-UHFFFAOYSA-N 437.449 0.346 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O)NC(=O)CC2 768242135 OQTFCDGNXCXNFR-UHFFFAOYSA-N 428.401 0.450 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)n[nH]2)cc1OC 768276982 OFLBEDCIKUGDHR-LBPRGKRZSA-N 439.432 0.631 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 783931357 NFBIKAZCJSJSJK-UHFFFAOYSA-N 437.453 0.632 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 784210271 LHAUPVFQUHRTNZ-UHFFFAOYSA-N 443.485 0.495 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(F)c(F)c2F)cn1 784807270 SUZKZGONFIRXBJ-UHFFFAOYSA-N 427.387 0.060 50 20 ICGD COCc1ncsc1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 786425415 CLLFXWJJTNIZFY-UHFFFAOYSA-N 425.536 0.983 50 20 ICGD O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NNC(=O)[C@H]1CCS(=O)(=O)C1 786742243 WOHPIHQZIJUICL-LBPRGKRZSA-N 443.551 0.887 50 20 ICGD CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cccc21 789732979 WERDDUXXYAFNIS-QAPCUYQASA-N 440.456 0.998 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1csc(N2CCOCC2)n1 791020353 NQQVJLNXQLCJAJ-CYBMUJFWSA-N 436.515 0.702 50 20 ICGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 792852934 AKOHWNATAYSVIS-NSHDSACASA-N 425.479 0.126 50 20 ICGD CC(C)(C)OC(=O)NCCc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 792857165 JURUIZAILUBKHR-JTQLQIEISA-N 432.524 0.406 50 20 ICGD CS(=O)(=O)Cc1ccccc1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 792975665 YUVULCYUILHVKO-UHFFFAOYSA-N 448.501 0.988 50 20 ICGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793217939 SSEWSVCCSDUFBW-UHFFFAOYSA-N 441.510 0.057 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3cccc(C)n3)CC2)c1 794080777 YDHULVAEFPCGRR-UHFFFAOYSA-N 431.518 0.611 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[C@H](C)O)cc1 802122260 IAQPFRHJJGPNAT-KSSFIOAISA-N 449.533 0.942 50 20 ICGD NC(=O)Cc1occc1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 802762656 KCGPQRSCZVOTQW-UHFFFAOYSA-N 433.896 0.540 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 803948048 PRRBARGTSIOSAV-INIZCTEOSA-N 446.460 0.888 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 811683793 XWYZMMQOGKVZCF-UHFFFAOYSA-N 438.300 0.694 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 812730406 HUUMIPJYVPAKOY-QZTJIDSGSA-N 436.534 0.821 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 813034023 VNZBCRSKNUKLCG-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C1C(=O)NC(=O)NC1=O 814213694 RFJASSZKYGALPR-UHFFFAOYSA-N 449.452 0.865 50 20 ICGD COc1ccnc(NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)n1 914762829 ODIQSPPGLBDGIF-ZDUSSCGKSA-N 437.478 0.170 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2(N(C)C)CCCC2)cc1 915894945 IAPHCAIPGFTBOW-UHFFFAOYSA-N 425.555 0.820 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c2ccccc2c1=O 916129737 XYIKGGBRWXQHKV-UHFFFAOYSA-N 435.506 0.383 50 20 ICGD O=C(NCCCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916490181 XITVZKRFKYGRAQ-UHFFFAOYSA-N 449.519 0.819 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885544 LLAAULNZNNUNOB-KGLIPLIRSA-N 428.536 0.056 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccncc2)c1 920275530 DXZNYDSVXNHFGT-UHFFFAOYSA-N 428.474 0.807 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C[C@@H](C)O[C@H](C)C1 921203015 OTPKUKKVPUGCRS-FMKPAKJESA-N 425.555 0.875 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1317905548 XYXSBXORYJMGDL-UHFFFAOYSA-N 435.481 0.719 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)cc1 1322744915 WMRPLQSJLZZLQQ-NRFANRHFSA-N 426.429 0.932 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1324035623 KTOYLTYTNJQXRF-UHFFFAOYSA-N 426.520 0.531 50 20 ICGD O=C1Cc2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)ccc2N1 1778920316 SQZWUXNBWNDUEQ-CBGDNZLLSA-N 435.908 0.908 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1778960988 IHAUUUCHKZXRBM-IIYDPXPESA-N 433.347 0.697 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4ccccn4n3)CCO2)C1 1779030523 RRESDTYVBSPDIV-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1779030992 LRXLGXNBMCNCTG-JOCHJYFZSA-N 444.536 0.005 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)no1 1779122775 JLROHSWYKSUOGD-ZWKOTPCHSA-N 447.319 0.779 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1779911152 NSUXAIIXNZCHAL-XMSQKQJNSA-N 448.568 0.483 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1780712989 IEWDMNUXKJYDKA-UHOFOFEASA-N 429.366 0.781 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780773225 HDQRWZKIYRQFMY-MEQWQQMJSA-N 437.310 0.638 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1781230350 RGTNHJZRXRXADM-OALUTQOASA-N 449.379 0.217 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1782001687 JHCAXBACJWLUCC-VPWBDBDCSA-N 429.319 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783880505 CNVFLLXMECWTKX-IFXJQAMLSA-N 437.884 0.028 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784467964 GMSCLIYGKKIYTQ-OEHGHSTBSA-N 429.521 0.688 50 20 ICGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC=CCC1 1786986595 NSTVYLBSZGDFQQ-UDSSINMLSA-N 426.322 0.706 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C[C@@H]21 1791252898 WSHLFUAIYYEBNA-QAETUUGQSA-N 438.912 0.045 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)(Cl)Cl)C[C@@H]21 1791293220 OWBOMCRCVAADDT-SRVKXCTJSA-N 443.759 0.709 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983382 JUXGUDAKXXZCNT-FQLMCAECSA-N 433.933 0.481 50 20 ICGD CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878321 RWQYHXPAUKLGDE-XFIYOXNOSA-N 447.960 0.725 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)nc1)c1cccc(B(O)O)c1 1794292261 MJHYCGUNZAYWOD-REPLKXPHSA-N 425.269 0.785 50 20 ICGD COc1ccc(OC)c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1795368086 MHJRHFYEHPQTCA-MQJTVSLUSA-N 440.924 0.826 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)cn1 1796075925 WBXKJMQAZFSHQQ-NEBZKDRISA-N 433.889 0.364 50 20 ICGD O=C(Cn1cnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190078 KMBLANVRWRWEDB-REPLKXPHSA-N 432.289 0.668 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C 1798275589 XYZFOJZIKQOCQD-OBAMXFLESA-N 439.476 0.122 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2 1800976823 JTHVRGRBFQGTOS-DMVWFOPNSA-N 432.304 0.957 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016263 RXDPTBQCHBJIBK-USZNOCQGSA-N 440.324 0.265 50 20 ICGD O=C1CCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1801148517 VHRCGLQBWSWEAX-ACDBMABISA-N 447.300 0.817 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802125280 RYZQZENMRQFPPK-DGADGQDISA-N 443.928 0.092 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1O 1802338839 UNTMYJTUSHZWNJ-BJWYYQGGSA-N 445.520 0.975 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCC2)[C@@H]1c1cccnc1 1802561040 WWEJAVDIUAVJID-AVRDEDQJSA-N 430.553 0.556 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523367 UPPSMYFBORCCRW-HNNXBMFYSA-N 433.896 0.534 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369880 XOAYRZXAERURAO-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811084023 XNRZLPZDKXEBGZ-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)O)[C@H]1c1cccnc1 1812855391 CGJUPWZPBRBCEN-JGJDIOJQSA-N 426.477 0.602 50 20 ICGD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1813458635 UYYYPFHBHULHDQ-DENIHFKCSA-N 447.304 0.057 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823787620 KIYPBUBCNJDGNI-RTWAWAEBSA-N 443.353 0.514 50 20 ICGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](F)Cl)CC3)c(=O)nc1O 1827992101 LXLNRFMSLTUZLR-UFBFGSQYSA-N 429.861 0.860 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1828923619 PGSFOYQJXSRZJQ-SJORKVTESA-N 437.928 0.518 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)ccn2C)CC1 1829643257 NEYDTTUXYJZOJK-IBGZPJMESA-N 445.564 0.992 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1830143403 WDXRBFIGQUBYLG-BEFAXECRSA-N 430.860 0.504 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1830543805 DQHGGFGWQPBMOT-CPUCHLNUSA-N 444.330 0.327 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1830545570 KYAVKTUSMJBNSY-AZSHCRGASA-N 431.327 0.366 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720029 QVGKEUSDSBRQEX-HKOUFZKTSA-N 443.840 0.257 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724720 AYPPCWRTLGQYFL-KSSFIOAISA-N 432.304 0.334 50 20 ICGD O=C(c1ccc2cnccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728576 VHIMZCZWUVJGOS-RXVVDRJESA-N 433.892 0.905 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728947 ZEQFTTLPBBYNRI-RXVVDRJESA-N 448.907 0.542 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830735732 MLQRQROMOZKGFV-VPWXQRGCSA-N 426.897 0.510 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122925 LDLHDYPGNDSJNA-MRXNPFEDSA-N 438.645 0.936 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833125454 VIYVNGBBCIUPBJ-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278494 LIFFDIWSXZKCND-YJBOKZPZSA-N 442.310 0.564 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(C)C 1833310353 RHLPHEXLHDMBPA-QZTJIDSGSA-N 431.961 0.745 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)N1 1834526850 LELWFONKAIZYMK-DZGCQCFKSA-N 433.322 0.527 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834856508 NZRKZZVUMUANMS-HIFRSBDPSA-N 425.251 0.087 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836035861 KSOVFVNAEMWDTA-QFBILLFUSA-N 429.876 0.473 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798095 BKRWGVLVFCBQRT-SJCJKPOMSA-N 446.298 0.268 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839200393 JSFWSDIOXHKXOK-CZUORRHYSA-N 434.262 0.998 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840149911 BCFQYFHYFYOSBR-CQDKDKBSSA-N 432.823 0.010 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182514 LAQKSJSOUWURSA-JOCHJYFZSA-N 436.553 0.584 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183275 WXGDOULTEWFMKI-QFIPXVFZSA-N 438.569 0.808 50 20 ICGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1ccco1 1840188157 RIWTXQAFDIWLFG-KRWDZBQOSA-N 434.276 0.270 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840857570 FQYAYTWIEIIWGN-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1F 1843012611 GPXPRELWRVYYIS-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1846362989 IUSVDTCBWZUBSL-AWEZNQCLSA-N 435.868 0.749 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15795318 MQORZYATBQSDCU-GOSISDBHSA-N 447.469 0.309 50 20 ICGD COc1cccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 25395404 BELYCLSTFPVBAT-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)CCOc2ccccc21 726090148 XCUXOFMUAARATC-UHFFFAOYSA-N 445.501 0.865 50 20 ICGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc21 728171280 XOMUEYVESYVMJD-UHFFFAOYSA-N 447.311 0.192 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OCCO 728328588 WFTGJZNVARFXHN-SFHVURJKSA-N 446.412 0.211 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN(C)C)c1 733359361 FDOKEEHJMAPXNL-UHFFFAOYSA-N 435.344 0.706 50 20 ICGD C[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOC1 733654202 JFWZTUUEWAUAGP-SFHVURJKSA-N 426.495 0.078 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 744826991 AXHIFSHRSSGIFQ-UHFFFAOYSA-N 431.408 0.786 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1 746385444 DLKXTYMSXVBZCP-HOCLYGCPSA-N 434.562 0.815 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1 749729614 DGEMTIMWEVBGDE-UHFFFAOYSA-N 442.453 0.936 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)s1 751201153 GFWLUSZHIXCFLA-LBPRGKRZSA-N 440.503 0.380 50 20 ICGD COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)CNC(=O)c1ccco1 751207576 ZFULADIWBGENFT-UHFFFAOYSA-N 444.473 0.847 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756032769 QRZXNGRVGSILAV-UHFFFAOYSA-N 428.364 0.952 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)Nc1ccn(CC(=O)N2CCOCC2)n1 756653364 DPZXKMVNRGJYPI-UHFFFAOYSA-N 438.448 0.599 50 20 ICGD Cc1nc2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2s1 757985211 JPEGJMGWRDBJOD-UHFFFAOYSA-N 442.461 0.205 50 20 ICGD COC(=O)Nc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C(F)(F)F)c1 758047895 ONNWRSSHPOPHPB-SSDOTTSWSA-N 426.373 0.582 50 20 ICGD Cn1nc(Br)cc1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 758812623 BYVDIORLWGLXEV-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C(=O)Nc1ccccn1 758829435 DLCZSLCOHIMTTF-ZDUSSCGKSA-N 446.261 0.983 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 763813298 KMPRKRADKFQDPL-UHFFFAOYSA-N 445.435 0.933 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763814492 VITLBRWOAXNRAE-UHFFFAOYSA-N 428.426 0.053 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)c2)C1=O 763840763 XIMOZUVBYIRHDY-UHFFFAOYSA-N 443.391 0.389 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2O1 764004095 QVDJPPOBXGRXAU-SFHVURJKSA-N 449.423 0.643 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc21 764166425 BSBPAZAGTQLRJQ-SFHVURJKSA-N 437.456 0.868 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)o1 764168266 PCIQPDKZCLHFMY-INIZCTEOSA-N 436.428 0.892 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764202444 CNZKTSYVHZIVRZ-QGZVFWFLSA-N 432.477 0.223 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764409948 CFJGUTPMKYLKEI-UHFFFAOYSA-N 447.810 0.931 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 765119600 YWMKEQALKTUETA-UHFFFAOYSA-N 448.549 0.287 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)nc21 770973054 LDDXNJHLFNPFSV-JTQLQIEISA-N 425.405 0.336 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 772224214 XWNRANJTNSUPRD-UHFFFAOYSA-N 448.501 0.065 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cnc4ccccc4n3)c2)CCN1 774772199 WZYNCVWCKVZULH-UHFFFAOYSA-N 426.458 0.507 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 782548628 IMPWDIBSRCFODF-UHFFFAOYSA-N 434.352 0.732 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782894123 LZUXVJKIJQXTFT-UHFFFAOYSA-N 438.488 0.842 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ccnc(F)c3)cc2)CC1 784852105 UHHFUKLVHUEYSH-UHFFFAOYSA-N 430.440 0.598 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 787895419 ITFKYGOMOWQFEF-JTQLQIEISA-N 440.172 0.969 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1nnc(-c2ccccn2)s1 788558624 RZGCUGVTYVECJR-JTQLQIEISA-N 436.523 0.761 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1nc2ccccn2n1 792393105 DQNXXNQYQAUJSV-UHFFFAOYSA-N 445.461 0.260 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 792641066 HZXSRXDVNBRCML-SMDDNHRTSA-N 446.501 0.519 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)CC2)n[nH]1 793069269 XEBWBCUUVJZOAD-UHFFFAOYSA-N 429.481 0.944 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)OC(C)(C)C)ccc2F)CC1 801102386 OYIXLQPZBVNWMI-UHFFFAOYSA-N 444.485 0.848 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(CN2CCS(=O)(=O)CC2)c1 804952060 HHFMHNTWYSJSOJ-UHFFFAOYSA-N 427.490 0.650 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(F)(F)F 806567645 IUDXAMMPFAWHIB-CYBMUJFWSA-N 435.428 0.863 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1cccc(Cl)n1 814283962 NYYBKSPAGAFXMQ-UHFFFAOYSA-N 439.929 0.908 50 20 ICGD O=C1CNC(=O)c2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2N1 815258238 OLIJCGXORQZIBC-UHFFFAOYSA-N 429.458 0.566 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1C 815752197 IBNSQLVIXAZCST-UHFFFAOYSA-N 438.510 0.478 50 20 ICGD Cn1nncc1NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 816771463 NRQMPXAZWPBMIZ-UHFFFAOYSA-N 436.494 0.520 50 20 ICGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816829712 BHPJELGZJXEZDE-SJORKVTESA-N 430.486 0.438 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccnc2-n2cccn2)cc1OC 899780264 YEYIITUDARIXRZ-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CC1CC1)N(S(C)(=O)=O)CC2 914832736 WDVLECFBCPESKV-HNNXBMFYSA-N 425.507 0.900 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 916267048 WMFWNPXZKVNQDM-UHFFFAOYSA-N 428.453 0.541 50 20 ICGD CN(CCCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O 916580362 RLDAHTODFBWWJS-UHFFFAOYSA-N 432.446 0.888 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 1317953518 YTOIOZYGVBMUQB-INIZCTEOSA-N 444.513 0.867 50 20 ICGD NC(=O)[C@H]1CCCN(c2ccc(C(=O)NNc3nccc(N4CCOCC4)n3)cc2)C1 1319170622 XIALNUOGCUNKNG-INIZCTEOSA-N 425.493 0.772 50 20 ICGD COc1ccc(C(=O)N2CCC(NC(=O)NNC(=O)c3cnn(C)c3)CC2)cc1OC 1321942050 SJHBMNQAFRNPTC-UHFFFAOYSA-N 430.465 0.686 50 20 ICGD CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCS(=O)(=O)CC1 1343033504 YLWKHUVWWFKNMF-UHFFFAOYSA-N 443.547 0.638 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)cn2[nH]cnc(=O)c12 1778029629 DOJSGXDKSQVLBM-ZXYWRSMDSA-N 439.875 0.993 50 20 ICGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C3)n1 1778247363 WZSZCTGFCRDRCI-XAUMDUMWSA-N 442.944 0.911 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779150062 LKYRWIVMIZTQPS-GTUDIADOSA-N 438.289 0.815 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncoc3C)C2)C1 1779770025 WMYWZBSDPREXQX-VMHRPQTGSA-N 428.449 0.561 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1780098688 QKDVYMKKKIGJKK-XCLFUZPHSA-N 448.432 0.098 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937817 HYENUEOOXJNQRN-KUHUBIRLSA-N 440.953 0.739 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332839 FOVZHEQZTPBHND-YUELXQCFSA-N 425.251 0.123 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783349189 JALQTYGEWAUAFB-IIYDPXPESA-N 433.347 0.697 50 20 ICGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1783523398 LOKQXVXKJXYQLD-FTYOSLGDSA-N 436.307 0.864 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784206682 ULQJSCFVJQAZNK-MHECFPHRSA-N 436.317 0.689 50 20 ICGD Cc1ccncc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785322382 ABTQQLFTGUFSSW-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(OC(F)F)cn1 1785743653 RSKVSIIWMUOECB-FATJJJSSSA-N 433.839 0.876 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21 1787508349 GOPPVRBFQVPYNU-BPOXOXDZSA-N 443.504 0.793 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3C)C[C@@H]21 1787508895 PLSNHKQIPFAFNJ-OKZIHNLASA-N 442.476 0.710 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1cnnn1 1788145140 GSUSAGPZMMUIHZ-CQSZACIVSA-N 434.265 0.362 50 20 ICGD Cc1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788610732 RJGPEZPZHCDVFT-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C[C@@H]32)COC1 1790739524 CFHWQCIVDIKMMN-SMKMMKTPSA-N 445.520 0.527 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccn4cn3)C[C@@H]21 1791291510 XORPBMOKCHGXDU-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD CN(C)c1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792974746 APUDVJRBRKXDMH-QOIYZWAUSA-N 425.913 0.321 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(Cl)ccn13)C2)[C@@H](O)CCl 1792977453 VUGPXFUDRSQFQG-VAECKANCSA-N 427.288 0.791 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c([N+](=O)[O-])cc1O 1792980545 LKZWWISVUXLYQV-CGMLQXIJSA-N 443.840 0.112 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1793535814 FSLRCQOQVWZVTL-RMPHRYRLSA-N 428.324 0.643 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1F 1795735013 IKPKSSHMDIRPIA-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)ccn1)C2 1796440554 QTZKCAUKIJVJIW-LLJCUJCISA-N 438.488 0.727 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498309 KDQJXWVWMISCQR-AHXJXLJNSA-N 433.896 0.700 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cccc(-c2cnccn2)c1 1798585548 GQLSLUPADZMHLK-NBMJBFSESA-N 430.892 0.947 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799273770 HAMCXZZQFVRVRO-GUYIQFIESA-N 444.381 0.140 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2)[C@H](F)Br 1799349771 KXQUHULKXJTUOK-DJBIQUGXSA-N 426.246 0.852 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1800756647 BZDRHWWBRFTBEH-OHTBPHCPSA-N 440.294 0.839 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccns1 1805217896 JZRCRURUODBHFH-QFBILLFUSA-N 436.302 0.851 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980222 NDDIBVNZGNJFBU-QGZVFWFLSA-N 438.337 0.977 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1810096370 UJKPDVKGECPQHF-SLEUVZQESA-N 433.292 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1813072597 FXAGSVKNKCSFRQ-IIBYNOLFSA-N 443.504 0.860 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813537601 SCHALBJGJQMIIY-JXFKEZNVSA-N 440.504 0.826 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC=CO1)CC2)c1ccc(B(O)O)cc1 1815344262 QMTMWIIBVNANST-GDBMZVCRSA-N 427.291 0.741 50 20 ICGD C/C(=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)O 1815347942 YHHYIIAUQSOEPQ-CHOZFAJLSA-N 429.263 0.080 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350532 XFXFKZCTWUEIHF-KHIZAZIESA-N 431.323 0.456 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)nn1C 1817473237 NBIPWDJLDDGRJQ-SFHVURJKSA-N 436.281 0.751 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C(=O)O 1817478356 APLNMQFMQCZDED-HMWXGYMHSA-N 426.238 0.426 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)O1 1818731344 HRKQULOFDWSNIR-DIOULYMOSA-N 429.307 0.616 50 20 ICGD O=C1CN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](F)Br)sc3C2)C(=O)N1 1823002779 RVMOHVDGWLSTGS-KGFZYKRKSA-N 448.274 0.297 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1824452067 XMFJJAHOOGMNFE-VXGBXAGGSA-N 445.549 0.708 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C(=O)c3cccn3C)sc2C1 1827003664 ZDSCIBUNNIURQI-LBPRGKRZSA-N 446.533 0.650 50 20 ICGD O=C(Cc1ncccn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050202 IKBWKJBNLSMOJF-FQEVSTJZSA-N 436.321 0.632 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720284 WFTYAVDTSSWZMS-KBXCAEBGSA-N 448.303 0.413 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722338 AJPYZVJMVKAYSC-LPHOPBHVSA-N 429.876 0.294 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831477430 BKSZFFHVAWZDGX-YVEFUNNKSA-N 434.331 0.141 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1831651863 UDVLAOPROFDWIP-UGSOOPFHSA-N 428.921 0.183 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cccnn4n3)CC2)CC1)[C@H](O)CCl 1833311773 DQKQBVWVUWFAQP-GOSISDBHSA-N 434.928 0.514 50 20 ICGD Cc1ocnc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801236 RXQYFYWXYZBAKH-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835934249 RNJZOPPWTIVLRH-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)s1 1836716622 GKZHBDVAIRCUIZ-HNNXBMFYSA-N 430.958 0.987 50 20 ICGD O=C([C@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1836719050 KPKLJRDRMVETNA-HZPDHXFCSA-N 436.958 0.162 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431666 YSUUHHREFNLWDM-KXBFYZLASA-N 437.884 0.053 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838432087 RNLMMHWXINOTDO-OAHLLOKOSA-N 425.602 0.973 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n(C)n1 1839151251 LQMZKOPFQMBTMB-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD O=C(c1ccc(O)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200692 PKDVTZPCRFIJSM-CZUORRHYSA-N 432.246 0.548 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840031187 IDDXOMXZOZSQTH-SJKOYZFVSA-N 429.267 0.702 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840149110 DTKQBYQETVNWDZ-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD CCc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152995 AOQCXATUPVYOII-KUHUBIRLSA-N 429.901 0.869 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840801738 IYKMRCFPCHMUKX-KDOFPFPSSA-N 437.896 0.892 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccn(-c3ccccc3)n2)C1 1844798512 WMEWBDHOHLREQH-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385445 HGJDVSNRJZPJGR-UHFFFAOYSA-N 429.521 0.818 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)NCc1ccccc1 1847539936 JFJADZCJGZNZEH-FUCIWNSQSA-N 447.300 0.054 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 10471144 DHCMIZSIYPOIFK-UHFFFAOYSA-N 442.497 0.890 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15889851 ZHCGGCWDWNPOQP-UHFFFAOYSA-N 437.449 0.687 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2c1=O 17189118 WLVMMQGFMHIQAR-UHFFFAOYSA-N 440.460 0.432 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C[C@H]1C 28679769 DSQHKDQZAJCWLA-GFCCVEGCSA-N 441.473 0.583 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cc4c(s3)CCCCC4)cnc21 727749083 KIPQTKHYXHEWPY-UHFFFAOYSA-N 449.514 0.988 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728209417 AJCRKGIPDGUEMY-UHFFFAOYSA-N 444.521 0.840 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1-n1cnnn1 728322839 NWLNNIWPMDZVRD-QGZVFWFLSA-N 438.400 0.115 50 20 ICGD Cn1c(S)nc2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc2c1=O 728889894 SKJUVTRIUQHZKV-UHFFFAOYSA-N 439.501 0.690 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 728981218 PSNCIKLKNMKRPL-UHFFFAOYSA-N 442.476 0.288 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 729691582 GMNFDPBFYYCGOR-UHFFFAOYSA-N 433.450 0.815 50 20 ICGD Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730569060 LCYXDYXWKMTWOP-UHFFFAOYSA-N 427.490 0.524 50 20 ICGD Cn1c(NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2ccccc2c1=O 733260788 RJMLRRWXKPUNAM-KRWDZBQOSA-N 428.493 0.090 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 735117250 DSTPYAOUJZKBHS-UHFFFAOYSA-N 446.489 0.106 50 20 ICGD C[C@@H](CC(=O)NNC(=O)COc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 742472204 YOPWNRWYCRXTHT-LBPRGKRZSA-N 434.449 0.869 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742481382 VRBXRDOKGHRJAJ-DTDBQYNISA-N 431.445 0.407 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)n(C)c1=O 743825847 HNFWSURWUUTDAQ-UHFFFAOYSA-N 447.455 0.954 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 744382949 DLJJQCYVAPQVLE-UHFFFAOYSA-N 440.551 0.191 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1F 744809342 AUDNOEUEUHCNAF-UHFFFAOYSA-N 448.432 0.566 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(Br)cc1 748247900 ZNZKDNSEZBYHSQ-AWEZNQCLSA-N 425.283 0.786 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CN(C)C[C@H]1C)c(=O)n2Cc1ccccc1 752163606 HWKSUXKWRVEQAH-OAHLLOKOSA-N 437.504 0.482 50 20 ICGD Cc1oc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 754175970 GZFCDHYULLHIFS-UHFFFAOYSA-N 434.430 0.328 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1 754850668 PVLSPTVVZJILSL-AWEZNQCLSA-N 433.490 0.926 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n[nH]1 755421544 GBDYTPYWVFWZPN-BETUJISGSA-N 436.494 0.983 50 20 ICGD Cc1cc(C)n2c(C=NNC(=O)C(=O)NN=Cc3cnc4nc(C)cc(C)n34)cnc2n1 755472083 OUALEXXEMJVHDS-UHFFFAOYSA-N 432.448 0.606 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1-n1nnnc1C 756317722 AINMTCWAHASDOH-UHFFFAOYSA-N 435.408 0.422 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl 763570882 JPVBAKVZAJMOEC-HNNXBMFYSA-N 432.820 0.626 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 763663665 XLGRZPTVYXGHPI-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763674160 MBYCLJDQUDQMQD-UHFFFAOYSA-N 425.445 0.793 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1 763731990 CFYVLHGZEZUQGG-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790751 OAQIUIVZACZUGI-UHFFFAOYSA-N 436.472 0.703 50 20 ICGD CCOC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763805651 UWHQQEXJMGNHIA-UHFFFAOYSA-N 436.402 0.998 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807411 BIENJTVEOUEBMP-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(CC)cc1)CC2 763831135 HADIICNZPUNQGP-UHFFFAOYSA-N 444.513 0.898 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764004188 UCLMWGLXPCABDX-UHFFFAOYSA-N 444.419 0.833 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc(Br)c1=O 764319295 NXLRPMFJCKFFSI-UHFFFAOYSA-N 425.214 0.616 50 20 ICGD C[C@@H](C(=O)NNC(=O)COc1ccc(Br)cc1)S(=O)(=O)C1CCOCC1 764528642 QWBTZXXEARMIPQ-NSHDSACASA-N 449.323 0.958 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cnn(C(C)C)c3)CC2)cc1 765127360 PSDYWZODCORLEM-UHFFFAOYSA-N 434.566 0.900 50 20 ICGD COc1cccc([C@@H](O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 765199450 VUWQJPFJLJFJIL-LJQANCHMSA-N 434.518 0.808 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 765732325 HLMWLGWHPNIADQ-UHFFFAOYSA-N 446.533 0.363 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636196 MMMSMJOMCNHWGT-MSOLQXFVSA-N 430.505 0.571 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C 768036299 NBZGYGCUIPLMST-UHFFFAOYSA-N 441.535 0.619 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 771443946 WOFKEZYJNXIGIX-AVRDEDQJSA-N 431.537 0.867 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771469548 PTLBAMDCKDNKEE-KRWDZBQOSA-N 449.265 0.709 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 778654958 DSIXVSSIXSJSLZ-CYBMUJFWSA-N 429.499 0.640 50 20 ICGD CCc1cnccc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 779410434 UMVZDEIQPBRQRL-UHFFFAOYSA-N 433.538 0.801 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)sc2ccccc21 783349990 UBMKEVYFMYEUCK-UHFFFAOYSA-N 433.515 0.860 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)sc2c1CCCC2 783426697 JRITULLMSYVNKP-QGZVFWFLSA-N 429.520 0.550 50 20 ICGD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427269 QWDQNGDAGQJTDL-GOSISDBHSA-N 441.460 0.655 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2ccccc2C(N)=O)CC1 792639833 YFRQQZRMEMXKRL-UHFFFAOYSA-N 446.533 0.193 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)nc1 797652464 GKJFOJQMLHZFKX-UHFFFAOYSA-N 431.434 0.447 50 20 ICGD COc1coc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1=O 798822955 DHUFNUINCOWULW-UHFFFAOYSA-N 435.458 0.898 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 801013110 JLQBKYVTKXDNHU-UHFFFAOYSA-N 429.861 0.726 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 801105888 MXAGGEWEGZXPOU-UHFFFAOYSA-N 432.458 0.090 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 801109699 YWMLZZXUHSTZFU-WMLDXEAASA-N 448.501 0.117 50 20 ICGD COCCOc1cncc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 801477283 OURLZPJEDKXHNH-KRWDZBQOSA-N 431.401 0.251 50 20 ICGD O=C(NNC(=O)c1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 814311928 MWJOJHLWUYYUOB-LLVKDONJSA-N 442.295 0.766 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815780050 HGTRRKFSDKUPPC-HZPDHXFCSA-N 446.460 0.119 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)nnn1Cc1ccc(C(F)(F)F)cc1 815780258 QEQZBFSWJLSOON-CYBMUJFWSA-N 440.382 0.919 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1C 912921755 VYLAMRXSXTWLBR-HZPDHXFCSA-N 426.539 0.228 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 913449289 UUTQPKFBVTWCIV-UHFFFAOYSA-N 440.522 0.993 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H](C(C)C)N1CCOCC1 916254448 XDNOMQMTKAQEPW-HNNXBMFYSA-N 440.570 0.589 50 20 ICGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916268497 NRRSBIUYPLJCBZ-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD CCNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1115899533 JFXPGTFXRRXKIU-GFCCVEGCSA-N 449.327 0.333 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1779035998 SPGDLPKGNSUWQV-VBKZILBWSA-N 433.534 0.272 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1781202016 SUSTVHXWURKBQW-KDOFPFPSSA-N 437.896 0.892 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781458850 SMDJDFKSBDNXIQ-CBGDNZLLSA-N 425.574 0.214 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1783935990 ZOKIJCRXRPIZOA-IBGZPJMESA-N 425.436 0.176 50 20 ICGD CN(C)C(=O)NCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145198 JPKIVOYLCMZUDS-UHFFFAOYSA-N 438.293 0.385 50 20 ICGD COc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789463652 BRJUMSKQCRMKSO-LRQRDZAKSA-N 438.289 0.282 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790177155 NOCLRGBEJKDPTI-GDBWCXJXSA-N 439.896 0.336 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791289262 QRKRKBDSBALHQJ-UFYCRDLUSA-N 430.549 0.890 50 20 ICGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1C 1791890874 UIFURMLCKXLLDI-QRFRQXIXSA-N 446.548 0.970 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975714 XEQYMDVKNQWMBB-ZQNQSHIBSA-N 431.917 0.185 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1794038495 MDSWNARERBGNEV-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270896 XIQMGDAXRMPWSA-XCCSTKFXSA-N 439.310 0.557 50 20 ICGD Cc1nn(-c2ccccc2)c(O)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794328109 QFPWOWCJPYMGEJ-KPEUIFRASA-N 448.907 0.689 50 20 ICGD Cc1cccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc12 1797400445 PZDMPNDCUHBNDP-FAQVEIGNSA-N 447.300 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccn(C(F)F)n1)C2 1798439946 PENAPKJCKHBTEF-ZSBIGDGJSA-N 433.419 0.842 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440100 BVPISPJYXZCYDK-APIJFGDWSA-N 438.492 0.228 50 20 ICGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)ccn1 1799347488 OBILQTZEXAPYIH-AYRXBEOTSA-N 443.273 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C2 1800971253 SBKJSYVCMDMQGT-LTAJLKHCSA-N 430.929 0.809 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1802032023 BEVWYMPSSAAWRI-YMILTQATSA-N 432.359 0.912 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339651 DTSKZTVCNPGELQ-ILOCAZANSA-N 434.537 0.753 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 1802440135 WJLVPGZURPIJDZ-NTPMPSRCSA-N 428.493 0.285 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2)C(C)(C)O 1804433962 CLECNPAFGGHRAD-XLWJZTARSA-N 447.960 0.889 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1nccs1 1805937560 VFSGNEJAHVCOLJ-SJLPKXTDSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362269 JXINCYOQDPRIEZ-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362908 XEEJVCAOEGFVAG-UWJYYQICSA-N 446.272 0.495 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807679255 GAUHMBZYNWGYKO-FMPTWSOUSA-N 439.354 0.841 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808259385 HVOBZOAWURXBTR-XEZPLFJOSA-N 444.883 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1813070232 FJQBCDFOMAHHOW-HTAPYJJXSA-N 441.536 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1813071792 XIGUZXDADXUUAF-VQIMIIECSA-N 425.493 0.564 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815164543 LOZLUKYNIAIFSP-RAIGVLPGSA-N 435.934 0.329 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)c1ccc(B(O)O)cc1 1817475895 YUJMPPIOTLMSQN-QGZVFWFLSA-N 426.282 0.701 50 20 ICGD O=C(CCc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817552024 SMXCDLDZNVASGL-LJQANCHMSA-N 448.292 0.818 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818121735 KDELNYXWFLRZFJ-FZKQIMNGSA-N 441.297 0.262 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1820187512 ZZEDWTWSAYDAEH-PWSUYJOCSA-N 447.355 0.991 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822605078 LVJOXHDEQPPHCB-WDCWCFNPSA-N 431.356 0.809 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056561 YHIURIXKOACYLV-SFHVURJKSA-N 425.298 0.042 50 20 ICGD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1828396500 IWLCUIAKFRDCSG-INIZCTEOSA-N 442.350 0.535 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1830545235 ILXLTLOQYRWXBV-HEFFKOALSA-N 441.326 0.910 50 20 ICGD O=C(c1noc2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728963 ZMOJGXIQSSJXLN-KUHUBIRLSA-N 427.885 0.223 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1C 1830731300 JABYLVHLZJIUKQ-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831648799 LIHNHZWWPLKMLF-GXTWGEPZSA-N 443.342 0.941 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831816110 RNOZPAIGETWQEL-YOEHRIQHSA-N 447.305 0.797 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994976 RBJQLTFITVPHOP-FZKQIMNGSA-N 449.342 0.958 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800562 USRLFGVRCOUTQS-RHSMWYFYSA-N 429.861 0.265 50 20 ICGD C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1833048699 QRVYYSMNMVTARC-UHFFFAOYSA-N 425.338 0.518 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210978 YJBBIOISKGKTQC-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC1CCCC1)CCO2 1834674964 NMGULSQLWAEHTC-JOCHJYFZSA-N 438.569 0.786 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)o1 1836024612 FRIPGQMMAZIUEV-SFHVURJKSA-N 426.546 0.228 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128784 VMCYNTHBWGLTPG-LIRRHRJNSA-N 427.885 0.483 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836422236 MGVMFCIFXBGFEU-CQSZACIVSA-N 441.374 0.881 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n[nH]1 1837588891 GXUCPCCZHUNESV-QZTJIDSGSA-N 433.336 0.953 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1837958474 YWBRHWQNDODUBU-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD O=C(c1ccc(CO)o1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837970137 DCLRYPDKPXELIL-XJKSGUPXSA-N 435.246 0.532 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838540605 KULZBBJDIACELB-OAHLLOKOSA-N 426.901 0.636 50 20 ICGD O=C([C@H]1CC[C@@H]2CCC(=O)N2C1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839083321 QDBCGANFRZTEKF-QMYADUOMSA-N 431.892 0.378 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839150715 VIHQANBVSRKMBR-SJORKVTESA-N 433.292 0.489 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839200184 HISYKBAFJDIVSH-HOCLYGCPSA-N 433.278 0.408 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839215433 QSGMFAJFVVSAMC-KKXDTOCCSA-N 436.336 0.300 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnn1 1839707504 WGRCHYMHLAPLLD-BBRMVZONSA-N 430.303 0.081 50 20 ICGD C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839890828 WECFGXGVRHEHTE-GOSISDBHSA-N 432.468 0.027 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839964025 CYRWNJCIBHBGTA-KBXCAEBGSA-N 448.358 0.389 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840687296 GQYAKBHDQCFYIS-BEFAXECRSA-N 430.860 0.504 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010404 MENAFFXPVSMORM-RTWAWAEBSA-N 434.301 0.996 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013124 LZWULKUSVLDUOH-UHFFFAOYSA-N 449.272 0.182 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015322 DGCJRPWVFPJXBS-SOFGYWHQSA-N 438.245 0.014 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072043 YNANDMRPDSPLNS-OEAKJJBVSA-N 439.476 0.617 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845542557 LOEOWZBRQKQORG-UHFFFAOYSA-N 433.465 0.799 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)NC1CC1 9889694 SSLNWHVCHPMXRI-UHFFFAOYSA-N 428.470 0.478 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1c(=O)n(C)c2ccccc21 14324736 QIRWLYXCIUXEHJ-UHFFFAOYSA-N 444.517 0.793 50 20 ICGD NC(=O)c1ccc(SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 15794903 JDOXBWFXCRFPRY-AWEZNQCLSA-N 432.414 0.773 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 18101865 XWPKJWRYVCMDRV-LBPRGKRZSA-N 425.438 0.728 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 18139926 HNPWYQKZIFVOMU-UHFFFAOYSA-N 428.536 0.533 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 726082001 MNKGQZPYXGCOFS-AWEZNQCLSA-N 429.502 0.939 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 728205741 CIBJSAHVSCPTBH-UHFFFAOYSA-N 438.462 0.182 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)Cc1cc[nH]n1 730102147 JOVONZZNGPMMMZ-UHFFFAOYSA-N 435.384 0.367 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(F)cc1F 732044442 BBLSCYUZBYSGNG-UHFFFAOYSA-N 448.425 0.778 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 732259439 DPJVCTZIHFXGGZ-GASCZTMLSA-N 426.539 0.554 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 734240966 YCLKOOGOUPRJPB-UHFFFAOYSA-N 444.448 0.998 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686270 LVHNUAZLMVEXCG-KRWDZBQOSA-N 435.525 0.201 50 20 ICGD CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 734746120 OLYAEZMYCXAENA-ZDUSSCGKSA-N 425.467 0.823 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(N3CCCCC3)n2)c1 739679193 RRRDRKMYFWYLTR-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 740852301 USEUJRHZLHKXDA-UHFFFAOYSA-N 440.522 0.082 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 743310170 YVMLAKSFBWYWON-FPAYPSAMSA-N 437.456 0.699 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2c1=O 750654827 IDSCGNDKYBBITO-CYBMUJFWSA-N 426.477 0.904 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCSCC1 750920959 ABKUYFHICMMKHW-OAHLLOKOSA-N 427.596 0.503 50 20 ICGD O=C(COC(=O)Cc1ccc2c(c1)NC(=O)C2)NNC(=O)[C@H]1COc2ccccc2O1 752043956 PFKVIDYKLYMWPY-QGZVFWFLSA-N 425.397 0.254 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CO[C@H]2CCOC2)c1 753947962 ITPULWHKWBQSKZ-HOCLYGCPSA-N 442.538 0.855 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 756461931 VUMHBRSKKHCGDV-UHFFFAOYSA-N 438.444 0.915 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1 756844327 NGEZACCSTCIZJO-UHFFFAOYSA-N 426.437 0.298 50 20 ICGD O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2nnnn2c1 758152509 XQXHXEJGHQJMRM-UHFFFAOYSA-N 440.423 0.957 50 20 ICGD CN(NC(=O)CSc1nnnn1C1CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758781440 DEYWGUMIVBXFAN-UHFFFAOYSA-N 440.530 0.736 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CCc2c[nH]nc2C1 758905950 NGLFSPHOQYIOQC-OAHLLOKOSA-N 432.506 0.696 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c2ccccc2c1=O 763285067 YUFLIUGLCZBUMD-UHFFFAOYSA-N 428.493 0.122 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1ccccn1 763463888 NKGCKJKNIQZTPC-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 763669710 YZXZMMFPKZMMMH-UHFFFAOYSA-N 448.501 0.733 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C(F)(F)F 763920783 DIBZPVSMLNMKEN-UHFFFAOYSA-N 444.333 0.952 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(Cl)cc3)cc2)c1=O 763931043 CQWFUQXEMKFVKR-UHFFFAOYSA-N 428.836 0.553 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1C 764002822 STVOWZNGYHHGFO-CYBMUJFWSA-N 436.515 0.948 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764004735 SQMLCLCLJRZZPW-UHFFFAOYSA-N 449.423 0.514 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)nc1 764228029 TVHRRWKVXBSHNV-LBPRGKRZSA-N 435.462 0.206 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764263268 DCXPNXOANTVSBA-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 764397639 LGCNWNMHYHARKW-CYBMUJFWSA-N 447.517 0.843 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cccc1C(=O)Nc1ccccc1 764427859 DBHNDFSRPNQYAA-QGZVFWFLSA-N 426.429 0.749 50 20 ICGD CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766635814 FXNUDAUWCDXOHY-MJGOQNOKSA-N 443.548 0.629 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccn1 766655856 XVRLNQKSITYXLF-UHFFFAOYSA-N 425.445 0.087 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 767165316 XQFAMIUWNJCCTQ-ZDUSSCGKSA-N 436.494 0.019 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768239253 XJDYEZKIWXZRBK-UHFFFAOYSA-N 446.427 0.576 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 775333758 JKOYFWHRXDRUTD-GFCCVEGCSA-N 435.462 0.615 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc2c(s1)SCC(=O)N2 778540074 JZIZQHNJQIIEGK-UHFFFAOYSA-N 440.532 0.217 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1Cl 782225000 GRGZQLBUFZKGKD-UHFFFAOYSA-N 426.842 0.673 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2CCN(C)C)nc1 783263856 LWQUWHOLHNJIRL-UHFFFAOYSA-N 448.549 0.954 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NN2CCCNC2=O)cc1 783604226 MGGAWMMJVLKVQN-PTNGSMBKSA-N 437.460 0.788 50 20 ICGD COCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc21 784003185 BLRCSRYGDARJMT-UHFFFAOYSA-N 443.485 0.865 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)n1 784852868 QZZZSOKPKFRRDY-UHFFFAOYSA-N 439.476 0.626 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)NCC(F)(F)F)CCCC1 798314552 QKONWPKRQXYFJU-UHFFFAOYSA-N 427.405 0.775 50 20 ICGD O=C(NCCS(=O)(=O)CCc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 800067564 VDYBTLNYLHBNLI-GOSISDBHSA-N 433.486 0.814 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Br)cc2)c1 801996103 AUXPLFNOCIQJNK-UHFFFAOYSA-N 431.272 0.314 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)o1 806978662 CMXYBMNZJRBNOY-UONOGXRCSA-N 426.429 0.385 50 20 ICGD COCC1(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 809983717 QUWCQDZSPMMGEJ-UHFFFAOYSA-N 425.507 0.675 50 20 ICGD Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 913181209 IENWNTSVKMWTQL-LLVKDONJSA-N 443.938 0.903 50 20 ICGD O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNC(=O)c1ccccc1 913632410 ILCSFYFUTVNZRE-UHFFFAOYSA-N 432.502 0.993 50 20 ICGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 914750650 TWWICAMGRLFERW-HNNXBMFYSA-N 436.534 0.879 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 916729284 MXVYSTGANSUXED-UHFFFAOYSA-N 426.389 0.992 50 20 ICGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 918779012 ZQIXKEQTMNBOQT-UHFFFAOYSA-N 444.311 0.288 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 919884696 KLPGLXJHMXWJTD-DKRLNXSXSA-N 434.518 0.456 50 20 ICGD CCN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 920052066 XMUMUZWHKHEUBH-UHFFFAOYSA-N 436.472 0.926 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)c1ccc2c(c1)OCCO2 920247459 SYRBIQWRHCUPRK-UHFFFAOYSA-N 434.408 0.856 50 20 ICGD CC(=O)Nc1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 921180804 MZRVMEIMNCMALC-SFHVURJKSA-N 427.413 0.718 50 20 ICGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 921294973 DWTRGSIJEAQMBR-UHFFFAOYSA-N 430.435 0.624 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCOC1)C2 1778094557 JMTFQNJHVDVPIF-VHXIGTRLSA-N 445.520 0.671 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1)C2 1779375416 NTKGVGPKJBSPLG-CBGDNZLLSA-N 447.561 0.708 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)c1cc(=O)nc2cccnn12 1780038491 DBUIMGPNJWMIGB-VVFCZOMOSA-N 437.859 0.751 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1780716730 NWJJWIFPKDZFKN-MDASCCDHSA-N 445.347 0.994 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783532133 DOTKNZAZCNTYSZ-CRAIPNDOSA-N 431.375 0.237 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783933029 BGEFVAJXASPANC-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1783933794 HBHZXDIULZINLW-NRFANRHFSA-N 434.562 0.982 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1783967788 WWFDLARKFBVKFM-AROZOGBKSA-N 442.354 0.832 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1)NCc1ccco1 1787446920 ZJCOOSMDMDUOGW-FPPRRWAXSA-N 427.860 0.966 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 1788610615 LWKYBGMPDXTUCR-RCBQFDQVSA-N 429.502 0.654 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764815 WSDBSYPJCDGLGW-UGUYLWEFSA-N 428.606 0.525 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(C(F)(F)F)n1)C2)[C@H](O)CCl 1792980440 IVHUGDRRJPRDLA-JZSSXWJLSA-N 427.832 0.965 50 20 ICGD O=C(CCNC(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192906 XNRZWGGPLRDZBD-WKCHPHFGSA-N 449.316 0.438 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796364449 IOXUEBJTIFKEJY-XVIXHAIJSA-N 437.896 0.386 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797711019 QKSXGTBVKUNZOD-DHZFVDMESA-N 445.520 0.283 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C)C2 1798522320 PBDNKMIQMQUCMR-YVWYUNDQSA-N 448.476 0.675 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(OC)nc1)C2 1800974138 MPENWSMBMMEZDS-YYAJDYIMSA-N 425.913 0.866 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)cc(Cl)c1 1801756221 JJWMWGYUZFFSOX-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1802441638 OMSBRAJRTPMSPY-LZLYRXPVSA-N 426.970 0.736 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802598420 WVTPSNNJBPMKFE-PKOBYXMFSA-N 425.294 0.506 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303951 XYXNGXSGEGQAJN-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1812775686 BWBHOAUXEPUUSF-IPYPFGDCSA-N 425.331 0.744 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n(C)n1 1813069740 BBRDJSIRPKXKDV-DYESRHJHSA-N 441.536 0.816 50 20 ICGD C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815211428 HYLXGIXMTSZTJX-KSSFIOAISA-N 426.282 0.987 50 20 ICGD CSCC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348369 LODDREDWMBQWQP-HIFRSBDPSA-N 449.363 0.163 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CC2)c1ccc(B(O)O)cc1 1815348454 PBKKUAASXDBBHR-KFZJALRRSA-N 441.343 0.924 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1815599866 VFNGMUYIDFJZSJ-RNCFNFMXSA-N 445.249 0.644 50 20 ICGD Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cccc1=O 1817473473 VPOLATGBKUEVNL-QGZVFWFLSA-N 449.276 0.408 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474336 DEABEKVOBBCMNS-QGZVFWFLSA-N 449.276 0.617 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CC(O)C2)[nH]n1 1819401761 RGEZSFGFLQYJOC-PPUFBPAQSA-N 427.465 0.485 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1823496823 PKVNPZZHAVAWDM-WDEREUQCSA-N 445.954 0.862 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1824710702 TVXAQQLMSZAPDC-ZDUSSCGKSA-N 433.538 0.633 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825494940 QHFTVATVWYZRFO-KRWDZBQOSA-N 447.536 0.692 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322972 XIHVSOQOFDKVHW-UWVGGRQHSA-N 426.882 0.234 50 20 ICGD N=C(N)SCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054504 CDTYNJTVZWCNPI-GOSISDBHSA-N 446.382 0.616 50 20 ICGD CN(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926014 XONIZKKBSVKICZ-LJQANCHMSA-N 430.553 0.870 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829824026 LOMXUJNBKMIAEE-MJGOQNOKSA-N 426.542 0.621 50 20 ICGD N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)c1ccccn1 1834822425 NDZREEQSYIQPSA-AEFFLSMTSA-N 441.326 0.323 50 20 ICGD O=C(CCOc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834827176 ILIGSUIGDWZYSS-PXNSSMCTSA-N 426.897 0.512 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857045 MOKLABNILDQFKI-SUMWQHHRSA-N 435.315 0.570 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835495804 WSROYLLNVKQROG-VQIMIIECSA-N 437.859 0.872 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1836945821 VFYKRTYBXWOTSH-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD Cc1ncncc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838482018 HTTJIEVVDXKWCR-UHFFFAOYSA-N 446.552 0.770 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208565 VCRYMTOGHLFSMZ-WFASDCNBSA-N 439.734 0.624 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839513511 NEAREQIDMUOKNP-KUHUBIRLSA-N 438.843 0.940 50 20 ICGD O=C(c1cncc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840063018 KEASJXVXBNTFKU-CZUORRHYSA-N 432.246 0.548 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316131 FMNWGJMBZKFREY-MDZRGWNJSA-N 447.315 0.430 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1840894318 KYZIOVXYCCPQEN-WZONZLPQSA-N 446.548 0.620 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847847920 FFRJWQPLBNEAON-DZKIICNBSA-N 432.389 0.444 50 20 ICGD O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 10600353 GDNAWMWSJVVPPB-UHFFFAOYSA-N 443.510 0.998 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCOCC1 17526634 IZTLORVJABEDPC-UHFFFAOYSA-N 449.485 0.425 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)c2ccccc2c1=O 43803050 PQAZSTMHYFHOID-UHFFFAOYSA-N 443.485 0.498 50 20 ICGD CN(CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)S(C)(=O)=O 106010954 PLUGZUUKWFYZJB-UHFFFAOYSA-N 428.474 0.587 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)c1cccs1 725740331 CWVGABQWDJSTOV-INIZCTEOSA-N 427.486 0.854 50 20 ICGD O=C(NNC(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(-n2cnnn2)cc1 726744422 GBTXGOPKODUVHH-UHFFFAOYSA-N 425.474 0.785 50 20 ICGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 726765045 AEVLQPYVPIBMAZ-UHFFFAOYSA-N 432.502 0.841 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728729618 SHUKEFUDNPLHLT-ZDUSSCGKSA-N 446.551 0.279 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 728975780 NFOWCACSUAMKGA-JTQLQIEISA-N 438.731 0.982 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c2cnn[nH]2)cc1 729456123 RPXXUBRICCGMJO-ZDUSSCGKSA-N 442.523 0.065 50 20 ICGD CN(c1ccc(OCC(=O)NNC(=O)c2cnn[nH]2)cc1)S(=O)(=O)c1cccs1 729456556 RZMGJAKVLLVJCB-UHFFFAOYSA-N 436.475 0.531 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 729494409 PSNKXHIATNEGNZ-UHFFFAOYSA-N 443.489 0.610 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(O)c(CN2CCOCC2)c1 730558607 MLNKNQQYHGFPSR-UHFFFAOYSA-N 434.478 0.453 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(-c3ccccc3)c2)CC1 735118402 UMVHOQSUWYKDGI-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NNC(=O)c1cnn(C)c1)CC2 735513925 SIEORIMILYARLQ-UHFFFAOYSA-N 444.492 0.746 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 744383071 HKOAOJVUCMYJNS-UHFFFAOYSA-N 441.513 0.467 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1 744567486 JUVIUFGNHOJDNS-UHFFFAOYSA-N 449.217 0.648 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 746638119 ZAAVDNUYGVPIAS-INIZCTEOSA-N 435.440 0.849 50 20 ICGD COc1ccc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 746883269 MZZGQXYYWFSWMU-QGZVFWFLSA-N 441.531 0.920 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(S(C)(=O)=O)cc1 753276460 JMZRVQGJIUBTQK-LBPRGKRZSA-N 428.470 0.902 50 20 ICGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)CN2CCCc3ccccc32)c1 756392322 NNQXGDLGWHKIPF-UHFFFAOYSA-N 438.488 0.897 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 756587274 ZMBXKBXWIDDJPU-ZDUSSCGKSA-N 444.510 0.684 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n1 760279236 KLNJGEWDJQXAEQ-UHFFFAOYSA-N 434.416 0.316 50 20 ICGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 760447513 FIGMCNBWUCTTFF-UHFFFAOYSA-N 443.426 0.049 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 763663769 ZDTUWTQCXNDTEC-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)ccc1C 763775527 VFUMDGOPJHYFHC-UHFFFAOYSA-N 436.515 0.853 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1 763821561 SVULIMKJBOMEDQ-UHFFFAOYSA-N 446.485 0.482 50 20 ICGD Cc1ccccc1-c1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(C)n1 763916961 LQWDOHWVYPQOER-UHFFFAOYSA-N 445.443 0.771 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc21 764202924 FTISKEAOWDDVHB-UHFFFAOYSA-N 449.464 0.433 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 764343752 RNIRRXLLCPUNMG-ZSEKCTLFSA-N 444.492 0.096 50 20 ICGD CC(=O)Nc1nc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cs1 766649579 RGXKDSUFUUVACC-UHFFFAOYSA-N 430.534 0.989 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 767204360 KUPZFOVPAKVHKM-HOTGVXAUSA-N 425.507 0.910 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 767715207 XHXAZILUJZZQMS-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD Cc1cc(C(=O)O)c(O)c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771609280 ZQNNTRFBOFBRMF-UHFFFAOYSA-N 441.849 0.678 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 771913831 ANSPRRVGIJXUET-AWEZNQCLSA-N 425.507 0.893 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 775708328 OGYLXHNDQMSRFD-INIZCTEOSA-N 427.417 0.677 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@H](C)O)cc1 779512471 BVFXSVFTOHLTDA-SWLSCSKDSA-N 432.462 0.611 50 20 ICGD CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 780175435 BPZUJUARAHDTJN-VFNWGFHPSA-N 447.444 0.779 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc(OC)c1OC 784290558 QFISCSXXCKCROP-JKSUJKDBSA-N 447.488 0.915 50 20 ICGD C[C@H](CNC(=O)C(=O)NNc1ccc(Br)cc1C(F)(F)F)S(N)(=O)=O 784770688 PXDGGNFFDSBCOM-ZCFIWIBFSA-N 447.233 0.704 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 786131984 GJBDFGXVAKIQRM-GOSISDBHSA-N 433.428 0.641 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 788706642 LRYWRQRJXUMFDO-UHFFFAOYSA-N 445.501 0.987 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)n1 789726427 MFSKCYIASUITDT-UHFFFAOYSA-N 426.437 0.832 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCc1nnc2n1CCOC2 790677481 LXLPXTXWBVSSAQ-JTQLQIEISA-N 439.270 0.869 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1cccc(F)n1 793023501 PBJSQGHAPAGCSE-UHFFFAOYSA-N 449.464 0.795 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1COCCN1C1CCCC1 793683822 VJWHILXKDGIILH-HXUWFJFHSA-N 443.548 0.235 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 796991650 FZQJQOQSFARZJN-MRXNPFEDSA-N 429.385 0.408 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C(N)=O 796992818 XNZIEYATXSRHST-KRWDZBQOSA-N 442.428 0.499 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 801109700 YWMLZZXUHSTZFU-YOEHRIQHSA-N 448.501 0.117 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C(F)(F)F 805110561 YPXFVYKPRMCXCQ-ZDUSSCGKSA-N 448.427 0.639 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 806280980 JZCYLHVRQPJPSK-KRWDZBQOSA-N 443.470 0.609 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3F)c3ccccc32)N1 806972762 KJHXXCUNUNCVGL-ZIAGYGMSSA-N 440.431 0.622 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1cccc(S(=O)(=O)N2CCCC2)c1 811881848 FWISPOOEPINLND-SFHVURJKSA-N 438.531 0.298 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 864234352 QLDSMGBDBHSBAJ-LBPRGKRZSA-N 429.260 0.079 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(C)c2-n2cccc2)cc1OC 904216459 XMLAYGQXYYAPSZ-UHFFFAOYSA-N 427.417 0.846 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1 912920795 CYJLSUFUTSQYRJ-GHMZBOCLSA-N 431.287 0.419 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C#N)cc3)nc2)CC1 916410206 WEMIHHCMEPOYJR-UHFFFAOYSA-N 429.506 0.716 50 20 ICGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 917728285 UYYPVAIQESASRH-UHFFFAOYSA-N 427.446 0.201 50 20 ICGD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889721 RXTKFHNYNGGMGP-AWEZNQCLSA-N 444.517 0.949 50 20 ICGD CCNC(=O)NC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCC1 919971327 FXTWTCOMKCUPFV-UHFFFAOYSA-N 425.511 0.330 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1C 1346622033 YEFGRMQPRGOIKN-HNNXBMFYSA-N 435.502 0.803 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cccs3)CCO2)C1 1779028404 KZZOBWUCOZRKFV-NRFANRHFSA-N 443.529 0.823 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333701 QRDIQZXHOOYEBG-CJNGLKHVSA-N 433.230 0.937 50 20 ICGD O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1783565548 MYZYKBKMAUSONF-OXQOHEQNSA-N 449.301 0.911 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934286 DJFJKVZLVPSGGK-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1F)CCO2 1783937076 FOKCHYMPXYZUMG-FQEVSTJZSA-N 442.438 0.920 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785102471 IWJTXGOPBDQDOG-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)COC4)[C@H]2C1 1787991126 ROEDFMOCLJQCNT-IHPCNDPISA-N 444.532 0.683 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140436 RRIKLAPLCRLBDJ-SEYXRHQNSA-N 447.300 0.973 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3ccc(O)nn3)CCC2)cc1)c1cccc(B(O)O)c1 1788145895 CAJJJTRARKCXLT-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]3C2)n1 1788762860 ZUDYNSCMAHHCCA-BQFCYCMXSA-N 438.601 0.974 50 20 ICGD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C#N)=C/c3ccc(F)cc3F)[C@H]2C1 1790693926 JWMBRRQXEWXHRN-CAVRUCQQSA-N 446.454 0.986 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793322175 QLXUDYPAQTXXLS-GFQSEFKGSA-N 425.345 0.184 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)c1 1794319702 HFIHFNCJAUGLSQ-PTEHBNRSSA-N 436.317 0.492 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C1CCCCC1)C2)c1cccc(B(O)O)c1 1795739766 KXRQMTLGNHOWOX-BNTBUHNESA-N 426.322 0.706 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nnc(-c2ccccc2)o1 1796191379 FMUKXGLMWQJIJB-REPLKXPHSA-N 446.272 0.982 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1805831449 ACRXXMYPEURVMA-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807374664 IYZOQTYIIMBBMW-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810432583 GQBLIZULOCFNGT-BSIFCXSSSA-N 439.321 0.895 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(F)c[nH]1)CC2)c1cccc(B(O)O)c1 1815361941 VMJODOOKZDMJJI-CYBMUJFWSA-N 428.254 0.830 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053390 MGLJHIOMZCPRLZ-FOIQADDNSA-N 429.326 0.124 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736641 VTBNZWAFJOXELK-HNAYVOBHSA-N 432.851 0.563 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831647204 SGCJSYSFNAYHDS-OXJNMPFZSA-N 425.913 0.712 50 20 ICGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)n1 1834088674 IAUQXXRMTOYMEN-ZDUSSCGKSA-N 431.310 0.691 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1834717442 WMONPWQWTPCXSH-HXUWFJFHSA-N 449.416 0.179 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835746036 KENQVRPSQTZFIZ-RHSMWYFYSA-N 438.960 0.448 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccnc2c1OCO2 1836092296 LSGLYXSIFWENEV-MRXNPFEDSA-N 438.912 0.595 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1837714712 MMTINXYOZKEDOH-GOSISDBHSA-N 427.530 0.088 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883506 IZZGCPMYRJCVAC-WFASDCNBSA-N 447.374 0.361 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331825 QBOJFEWJKVVHMY-KBXCAEBGSA-N 442.310 0.421 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839143847 JAPAKJPFCKJXJZ-LIRRHRJNSA-N 427.885 0.483 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1839290245 DGXHFAREBIMSMG-LPHOPBHVSA-N 430.860 0.504 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839963840 XVBGSCAVSSZVRW-WBMJQRKESA-N 430.303 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840153597 UYYYZRICZYFHDG-FTRWYGJKSA-N 441.912 0.120 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840155943 KPVWVFMDERICDE-SLEUVZQESA-N 427.723 0.480 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840187765 VOSTTYSBEPHNKQ-OXQOHEQNSA-N 442.343 0.961 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1840465549 DPPGXNZKUUXTLP-HOCLYGCPSA-N 433.278 0.110 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841354120 IXDVYOKGQMUSDT-ORAYPTAESA-N 431.917 0.161 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CNC(=O)OC(C)(C)C)C2 1843416803 CGTFNGJIDCZEGC-ZVHZXABRSA-N 446.508 0.849 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263235 IZWICIAAHMISOI-OAHLLOKOSA-N 437.504 0.507 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)[C@@H](C)CBr)C3)no1 1844308210 SNLVBQUEIVHICT-NSHDSACASA-N 427.299 0.947 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847513590 PJDBODNLHGPTBA-CYDGBPFRSA-N 434.331 0.857 50 20 ICGD COc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)n1 1848169961 AKSGJPNTTSTQJX-ROUUACIJSA-N 438.488 0.537 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CC1 9889626 FQWHMIJKCNCYOE-UHFFFAOYSA-N 428.898 0.554 50 20 ICGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 27082624 SNOMXDCLNXLXBS-UHFFFAOYSA-N 428.854 0.794 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 28629830 RSVDMPVVEXREJD-BETUJISGSA-N 449.847 0.604 50 20 ICGD C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728340903 QSBIGJWUWSWPBF-RDTXWAMCSA-N 447.488 0.992 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1S(=O)(=O)N1CCCCC1 728380257 NVZNLJJKNNBYJU-ZDUSSCGKSA-N 429.520 0.057 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1 729227667 NYTOQZVXTZVQJW-UHFFFAOYSA-N 430.446 0.049 50 20 ICGD Cc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729274831 FGAKVUPWLZODQI-NSHDSACASA-N 426.524 0.017 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 733128695 LWPKWMRQCKQBGJ-KTZOAPACSA-N 428.470 0.435 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 734259615 MGYHUJXLJYOTAY-UHFFFAOYSA-N 449.475 0.436 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)CC2CCCC2)CC1 735116833 HWFRMYHCZAXFQC-UHFFFAOYSA-N 438.554 0.157 50 20 ICGD COC[C@@H](C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737064980 MEIIHKFZAPBWFH-HNNXBMFYSA-N 442.538 0.253 50 20 ICGD CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 740763800 PUWRCNPHGRRVDF-UHFFFAOYSA-N 434.493 0.688 50 20 ICGD COc1ccc(Oc2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)cc1 741204683 PDKUKJUNZJCWRT-LBPRGKRZSA-N 443.503 0.735 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)ccc1O 743732511 YVRHEQRTLHCRSS-OXHZDVMGSA-N 438.234 0.078 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3ccc(S(C)(=O)=O)cc3)ccc21 748143402 UNJFSYYYTYJBOZ-UHFFFAOYSA-N 446.489 0.538 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)COCc1ccccc1 749841124 IVXRJJFLBMNXNT-UHFFFAOYSA-N 435.448 0.229 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1C 750662276 COLOBSFRCIJYAU-NSHDSACASA-N 427.458 0.151 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 751201961 OJEHGBFPGVDDKV-AWEZNQCLSA-N 434.474 0.258 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 751205127 XHKHCFUCWZDNJL-UHFFFAOYSA-N 440.503 0.707 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 751616012 ARSPATPCBMKFHS-UHFFFAOYSA-N 436.515 0.610 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc1F 752521938 WNTAVPGPSWFWGR-UHFFFAOYSA-N 433.462 0.203 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 753895981 YNHPFHBZFUZCPL-UHFFFAOYSA-N 428.536 0.652 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n[nH]1 755360699 GDOOTVSKGWFZLQ-UHFFFAOYSA-N 442.885 0.859 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 755667843 PLPWJAYGWKILPJ-MJBXVCDLSA-N 439.538 0.895 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc3c(c1)OCCO3)C2=O 756899379 YWDCMHNQGNSKBG-NGVSDPCNSA-N 430.461 0.966 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1O 763530501 WPOYWJUTQJXEON-UHFFFAOYSA-N 436.446 0.051 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572645 TUIIKEMOHGWZIC-HNNXBMFYSA-N 444.469 0.580 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572892 VMAVWESDBBVTPH-MRXNPFEDSA-N 433.442 0.324 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 763718150 HYRSIWMPSOSDOD-UHFFFAOYSA-N 448.457 0.123 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1C(=O)N(C)C 763803307 GNQNZWKUOZDEBO-UHFFFAOYSA-N 443.416 0.770 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 763819320 ZCGHMRJADKASDF-MRXNPFEDSA-N 445.501 0.060 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c(C)c1S(=O)(=O)NC1CC1 764268832 QZRACZBZKACUKA-UHFFFAOYSA-N 445.501 0.468 50 20 ICGD CS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764379718 IFCYBAJSZDJGOV-UHFFFAOYSA-N 427.385 0.848 50 20 ICGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635598 AUNYXNDCPHGOQY-INIZCTEOSA-N 429.521 0.287 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3cccnc3)CC2)cc1 766636490 OXFJNUZXMBMYHP-TWGQIWQCSA-N 443.529 0.557 50 20 ICGD CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H](Br)C(C)(C)C)CC2)CC1 767031237 UJHMAJJNIGTLJV-ZDUSSCGKSA-N 425.393 0.432 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1C 768260812 OQCJGFILMWBASM-UHFFFAOYSA-N 437.507 0.310 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 772629676 DZQKUNZFKPDUKL-UHFFFAOYSA-N 427.464 0.887 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(I)ccc1C 773495985 IRVABFYFSIHYJU-JTQLQIEISA-N 449.245 0.737 50 20 ICGD O=C(NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 782550815 RGCSAZHMOSUVQA-SNVBAGLBSA-N 444.413 0.079 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNc2cc(C)ncn2)c1 783944598 BHEJCGBWLHBPLD-UHFFFAOYSA-N 449.537 0.963 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 783997672 VKAYMBUBJTVWPG-WJOKGBTCSA-N 448.545 0.976 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 785060845 PAKOTJRLLRONRA-UHFFFAOYSA-N 438.835 0.897 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)cc1C 788333932 RGHIFDNYNXEWML-UHFFFAOYSA-N 447.469 0.893 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(C(F)(F)F)c1 792029615 XXXOBUJPPSMRNB-QMMMGPOBSA-N 443.425 0.273 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cc2cccnc2)(S(C)(=O)=O)CC1 796138928 FHUUFWLNNSBBQJ-UHFFFAOYSA-N 440.522 0.586 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1C 798308061 OGBJWPPANBJICL-QGZVFWFLSA-N 440.435 0.649 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccc(O)cc3)c3ccccc32)N1 806991144 NOPYLRPRTSEMMN-GJZGRUSLSA-N 438.440 0.189 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 807004716 RXPXHBTXRHMMLN-UHFFFAOYSA-N 432.384 0.325 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)sc2C1 815690995 BVAOKAIONNVAKL-NWDGAFQWSA-N 431.522 0.988 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778812 GUULZTLYEUFZCX-LLVKDONJSA-N 439.368 0.254 50 20 ICGD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)[C@H]1CCc2nncn2C1 816883993 PBKREFVXALDBLY-NSHDSACASA-N 429.393 0.284 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@H](B(O)O)C3)CC2=O)cc1 864233401 HGZGDTPEJZIVQF-CABCVRRESA-N 437.327 0.145 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCN(C)CC1 916257748 AXQZVJIMCOEZTO-MRXNPFEDSA-N 439.586 0.196 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 916637394 ZCNYOGZIXNKHPK-SFHVURJKSA-N 439.494 0.512 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cn2nc(-c3ccccc3)ccc2=O)c2ccccc2c1=O 917387016 GZNIKXXKRQOLFU-UHFFFAOYSA-N 430.424 0.618 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)N(C)c2ccccc21 919693977 KJOVKRPAOHYMNI-CYBMUJFWSA-N 445.501 0.239 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 919778646 GABXAKIYSCKABO-CYBMUJFWSA-N 431.474 0.937 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1n[nH]c2c1CCCC2 1317873603 PDPZXXBWPQFNQJ-UHFFFAOYSA-N 433.490 0.384 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 1318637310 NNKUKLASVXFOSD-UHFFFAOYSA-N 433.428 0.201 50 20 ICGD CCOC(=O)c1ncc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 1323003147 ACVCCURAUMEMAB-UHFFFAOYSA-N 426.314 0.760 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1328654836 ZOPZCHNMNWVZEU-OAHLLOKOSA-N 446.570 0.843 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552040 JUGHKTFPXHHITH-KRWDZBQOSA-N 427.299 0.894 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1779032002 JKRAXULWRDGRMC-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccns1)C2 1779371076 MFAWYKOIMFLKQH-OXQOHEQNSA-N 444.517 0.583 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780028077 KRTWLIANLNQKGD-MLGOLLRUSA-N 430.230 0.944 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1781233829 NPXHETDKOCRVIV-BRWVUGGUSA-N 425.309 0.668 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783349687 RFHUGFLPWKNIRF-YJBOKZPZSA-N 431.375 0.237 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ccn1 1784091323 NPCINEHRKCMXBU-DIECFANBSA-N 439.896 0.451 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C[C@@H]21 1788609740 FNZBGQJVFFIIFH-LMPZSCFUSA-N 443.529 0.154 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)nn1C 1789399810 AINVHKWCGWYDMV-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21)[C@@H](F)Br 1789924845 FFEPUIMWCVDWHU-JZRPKSSGSA-N 441.319 0.234 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791049926 UOHQMSZCOJUMSR-TXSAGFPJSA-N 435.433 0.494 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791057419 LUHCHOYZLMKTRY-QCZKYFFMSA-N 429.271 0.265 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1)n1cnnn1 1791918679 JJHIAICTIJUVFX-CYBMUJFWSA-N 449.475 0.681 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H](F)c1ccccc1 1793717863 VZHYHAKEMGZDKX-HNJRGHQBSA-N 426.253 0.280 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1793878186 BZZBONMMGVNZQX-XFMPKHEZSA-N 441.916 0.745 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CC(c2ccccc2)=NN1 1796190316 NJFGRXUDBXIWMX-XAPVIXHLSA-N 446.316 0.384 50 20 ICGD O=C(Cc1cccc(Cl)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190841 RUZHHXFXKBYSLG-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD COc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1OC 1796191833 DLWACQRNDQSEQR-BJWYYQGGSA-N 439.277 0.344 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1SC(=N)NC1=O 1796421669 BLAYNPJOORGBBQ-QTCIEIIFSA-N 447.355 0.163 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sccc1Cl 1798284474 RGZRSUHOEQMKKC-QHBPRCKVSA-N 449.920 0.917 50 20 ICGD CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1800802620 ZGTGFIYRTKCBQP-XSCDPQDWSA-N 428.338 0.786 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2 1801011519 RQQMLWQUPVSPQN-HBCWATKFSA-N 428.493 0.139 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369339 HAROOYUXOYRRBV-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1807369730 TZYBEGRBCOHMRV-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)[C@H](F)Cl 1808310416 RNHDNVPKKHSNLY-BPNCWPANSA-N 434.819 0.062 50 20 ICGD CN1CCC(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809977305 FFWSOVPPRSMJDR-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813040696 SLUYLWGLEGSXRK-RVSPLBMKSA-N 428.518 0.718 50 20 ICGD CC1=C(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCO1 1815879008 CNUIRZWBEKYDJD-CQSZACIVSA-N 427.291 0.743 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1819591616 CUNIHLKHJKYIRG-CHWSQXEVSA-N 436.545 0.851 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1)C(=O)C(=O)O 1820937202 OGULRHULQAVLCQ-BXKDBHETSA-N 448.249 0.635 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCNC(=O)C2)n[nH]1 1822484986 KYRVBUCDFUBDDN-ZFWWWQNUSA-N 433.513 0.301 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824445125 JMQNHYBVOOBBTG-SWLSCSKDSA-N 430.339 0.389 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826099931 WMZNFYAVRVUXCH-INWYIAFRSA-N 425.294 0.923 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826326454 DHPBVPNJSSFYOR-XTXLJPNXSA-N 442.321 0.719 50 20 ICGD COc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc(F)c1F 1830732838 BONMDRQFLXVOBW-KUHUBIRLSA-N 448.850 0.643 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735978 OHYCUSSANOGMJG-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830737762 ISNTUKKUNWKRAC-YWMUFLPLSA-N 435.908 0.983 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737975 JETCTDZUELNXKM-LIRRHRJNSA-N 448.850 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831955313 HFTJUKUQSKFIAI-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1832008482 PTJJTMKCAJVFOX-GPINWOSQSA-N 434.892 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccn3C)CC2)CC1 1834101025 MNTYOEKJHSYXRW-UHFFFAOYSA-N 432.569 0.583 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834422716 ZRFHNXLOYZMQEW-ZDUSSCGKSA-N 431.375 0.855 50 20 ICGD CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834572090 XCJPUMOLUXPWIF-AWEZNQCLSA-N 442.351 0.293 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835653156 JGVUCUZRSBVDPH-KRWDZBQOSA-N 432.619 0.311 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835703651 ZHSACZYUNUWKEO-QUCCMNQESA-N 436.585 0.389 50 20 ICGD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cs1 1835797380 NECSHGBJULJNEU-QMTHXVAHSA-N 437.291 0.486 50 20 ICGD O=C(c1cnc(O)nc1O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717434 BHOOXZHLLVYTHI-AWEZNQCLSA-N 428.873 0.100 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837714781 NJZSWWYEWSZIIW-DZGCQCFKSA-N 441.370 0.985 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620286 CAWZWRSZBOCYRF-AXHNFQJDSA-N 436.380 0.944 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839048016 GWVQOWCGVDDEGA-WMZOPIPTSA-N 425.848 0.263 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840033852 SKOGFOJLJOERIV-GIBQZFQPSA-N 442.310 0.938 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840152574 MKXHIRHVMMXGDY-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840488162 VFUXQMKYLKUHJV-PHQDNCEWSA-N 443.273 0.637 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3[C@@H]2O)C1 1841390873 BGTNWKNOCPUQMR-RXVVDRJESA-N 428.533 0.859 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c2n1 1844264584 KBAROBHQWPWCTH-UHFFFAOYSA-N 449.471 0.701 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c(O)c1OC 1845426602 OOILBXHPDGDTHV-UHFFFAOYSA-N 434.493 0.599 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 15525107 VJSPQVGPLSLHOB-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)n1 16200936 NNIJTWLKYPARJD-UHFFFAOYSA-N 432.440 0.954 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)c3cccs3)cc(C3CC3)nc21 725741151 MTWSDMDDMVXJNQ-UHFFFAOYSA-N 442.457 0.164 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(c2ccc3cccc(O)c3n2)CC1 728204066 SAMKNQNCVVNUFL-HNNXBMFYSA-N 432.502 0.739 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)c1 729416941 GHENNNIYVFXMPR-VIZOYTHASA-N 440.485 0.775 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CCN(CCN3CCOCC3)CC2)c1 731557238 HBYAPOLVBOLITP-UHFFFAOYSA-N 437.566 0.451 50 20 ICGD O=C(CC[C@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 731955826 DZNCFVRZBHLUSR-MRXNPFEDSA-N 425.507 0.818 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 732086813 JGTXRONTZJDYCO-UHFFFAOYSA-N 430.284 0.806 50 20 ICGD O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 732307823 NROJZLKRKXOKKY-ZWKOTPCHSA-N 429.498 0.610 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 733045018 BVCZLBYDCJOTRA-AWEZNQCLSA-N 448.448 0.421 50 20 ICGD O=C(NCCOc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 734067360 KYZYWMMRPXUELU-UHFFFAOYSA-N 433.490 0.889 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744788746 PMCQXPVSTWFTKH-UHFFFAOYSA-N 440.437 0.349 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 746813721 SHOPYWZRPRIKJU-ZDUSSCGKSA-N 431.536 0.303 50 20 ICGD O=C(COC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)NNC(=O)c1ccccc1 747016027 DPLLNTBZBJTZOJ-UHFFFAOYSA-N 427.461 0.950 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1ncccn1 753786880 UHOLZQDVGZJHIW-GFCCVEGCSA-N 446.411 0.551 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 756100989 XECVFZGWVOPHHB-XJNFMUPTSA-N 439.472 0.379 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 756812409 JZUHQPKLCRDRDG-HXUWFJFHSA-N 431.470 0.258 50 20 ICGD Cc1c[nH]ccc1=NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 757808460 XYLVNFMURGFSLW-UHFFFAOYSA-N 447.517 0.618 50 20 ICGD CC(C)(C)n1nccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763532386 YUWKLKFZAYYLCO-UHFFFAOYSA-N 441.536 0.936 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 763717208 QYGZCRKPTSBWHN-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763796178 KSHYAAJPJKOCSK-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)CNC(=O)c1cccnc1 763821185 TZVMLABOYRMZTC-UHFFFAOYSA-N 448.277 0.541 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@@H](C)O1 763838752 UIKWQIIKCHOQLD-OKILXGFUSA-N 445.451 0.999 50 20 ICGD COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1 764042200 DDHPLFUJERKDIP-UHFFFAOYSA-N 449.485 0.905 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 764285372 CAWZLHTWPRLKPO-UHFFFAOYSA-N 445.432 0.710 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cn1 764357799 ARGRJRBVXVTDHM-UHFFFAOYSA-N 441.492 0.634 50 20 ICGD COc1cc(CN2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2)cc(OC)c1 770410642 BQDYQYWJUDYWRZ-CYBMUJFWSA-N 442.480 0.987 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2O)C1=O 771470087 MQEXWQRMEDIVKY-OAQYLSRUSA-N 442.428 0.394 50 20 ICGD Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771608117 RWCQIYCUNVXLEN-UHFFFAOYSA-N 425.850 0.973 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 771888350 MFKNBJFRFGPLFP-IHRRRGAJSA-N 441.506 0.587 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2)CC1 773643085 IFGYTRDIWXMGKX-UHFFFAOYSA-N 440.460 0.993 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(C(F)(F)F)cn3)cnc2n(C)c1=O 773668174 ZWJOPRGQUMSYMJ-UHFFFAOYSA-N 437.338 0.128 50 20 ICGD O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 773751738 VHJDMARUHCNLSS-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 782895865 AGHWOQFGAZOVFB-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD CCOCCOCc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1C 783425396 CDNWLLIDTWGNFT-LJQANCHMSA-N 427.523 0.685 50 20 ICGD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004247 VENNIBQQFFLMTR-UHFFFAOYSA-N 438.487 0.811 50 20 ICGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005324 VJXFBGRSXQQCIA-UHFFFAOYSA-N 436.421 0.580 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c1 789731686 FWBNICIVMAIBHA-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 796076022 ROFIXFUOOWPOQQ-QLPKVWCKSA-N 428.445 0.975 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)n1 797102873 GVWNGKJBAFJJQK-UHFFFAOYSA-N 429.481 0.838 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 797789963 VLQOJLIVYKPZPV-SHTZXODSSA-N 425.507 0.742 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)nc21 800749567 WZNDLFGDLJHTQD-JQWIXIFHSA-N 440.530 0.631 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnn(CCO)c2-c2ccccc2)n1 801319640 YXRWCKNDGNQCGS-UHFFFAOYSA-N 443.485 0.854 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802567541 XSZLVRXDFAVENS-QMMMGPOBSA-N 445.910 0.487 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 802938168 NTLPEYCXJRAPDE-UHFFFAOYSA-N 449.514 0.790 50 20 ICGD O=C(NNc1ncncc1F)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 815765664 YYLSHLGSKYCQPL-MRXNPFEDSA-N 428.424 0.866 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1c[nH]nc1C(F)(F)F 821132763 YQMAZDMYWPGVMA-UHFFFAOYSA-N 440.429 0.653 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)OC(C)(C)C)cc1C 849202487 ZAOLUTRISGOTHX-CQSZACIVSA-N 428.511 0.772 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc([N+](=O)[O-])cc1 912764998 WXQQMLQCZSSXIG-UHFFFAOYSA-N 435.414 0.991 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 912918909 GLGQPIVXTYZLMX-ZIAGYGMSSA-N 430.502 0.141 50 20 ICGD CCc1n[nH]cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917933155 AFYINCQLIMXFGV-UHFFFAOYSA-N 435.506 0.387 50 20 ICGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 918108816 QLXLVNUKVLFZCB-OAHLLOKOSA-N 426.495 0.221 50 20 ICGD Cn1c(=O)c2c(nc(Cl)n2CC(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1=O 919724053 IOYXWFKWJDNQSK-UHFFFAOYSA-N 425.232 0.202 50 20 ICGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 920862473 JOYOFTZQFGNXIK-ZIAGYGMSSA-N 428.511 0.465 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 934938539 LGZFHQGRFRBIFM-UHFFFAOYSA-N 433.421 0.800 50 20 ICGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1115969521 WTUJLIDRXUQECR-UHFFFAOYSA-N 433.490 0.130 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1779687442 HXZSBENXOOJWSG-NFBKMPQASA-N 437.305 0.511 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124909 IMMQEFUBXQEOJI-CJBNDPTMSA-N 427.299 0.681 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780792562 LDASMKKTEPKSJV-UYAYXHRUSA-N 430.343 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1783877139 GIZBRHWNAUVCTC-VBKZILBWSA-N 435.864 0.519 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934197 AESVJLGTSLPJGF-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(OC)c1 1784092841 MSDTTXCCUJEEFP-PTOXDTDZSA-N 426.897 0.897 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1784645119 HMTBPKRKQTXHFS-UNQGMJICSA-N 432.359 0.912 50 20 ICGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1785867297 WEGLAIQVWPINCL-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787443760 CGZHYGKTJYFEPP-MZGVZZPPSA-N 447.916 0.754 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504612 AZHVWTWAXKKNEL-UWCDFFNFSA-N 433.340 0.536 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789207284 YXNFGQGRMKMZON-DNVSUFBTSA-N 439.925 0.933 50 20 ICGD COc1ccc(OCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1792801226 ILOMFILEPQLBSZ-REPLKXPHSA-N 438.289 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C1CC1)C2)c1ccc(B(O)O)cc1 1795737026 UHZRDDBOQZPSIS-OPMZPASUSA-N 434.301 0.761 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccnc2n1)c1cccc(B(O)O)c1 1798011847 UAIHEIXTROLJMG-REPLKXPHSA-N 430.273 0.875 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2 1798522447 YEIALFNOOMPLPW-QHBPRCKVSA-N 427.360 0.988 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2)[C@H](F)Br 1799346430 QKUTUYMLWMZHAS-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799866201 ZKHVVQFKALEJFC-RDGPPVDQSA-N 431.537 0.742 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)cc1F 1801869562 SKBAFXJYZOOIIC-JLUCKKNBSA-N 436.864 0.967 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366829 OMQPPMJPJZFKLK-LKUPVBHCSA-N 438.337 0.421 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@@H]2c2cccnc2)CC1 1809669671 VLQZZHYXWKGKJQ-QXAKKESOSA-N 439.919 0.786 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810318225 IDHQUOIKHDIFHC-MBGYTDRXSA-N 432.912 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1813075023 ZBVXUNAKXQFVMY-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCBr)n[nH]1 1816781555 CPPQAJJJLANNLN-JQWIXIFHSA-N 429.319 0.780 50 20 ICGD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)COC1 1819800067 KILYMVILPKRUNL-NSHDSACASA-N 444.517 0.794 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1825270965 IAFHGGGECWYVHY-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1830357702 IOYWFUPJFXQWFQ-MRXNPFEDSA-N 426.844 0.818 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739175 YOVOMJSGFFTESU-UWJYYQICSA-N 448.907 0.746 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831181336 CBSWWCURUYTEMT-CXAGYDPISA-N 434.331 0.143 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831518277 SYBRWHWACLJKMD-BCUIYNNISA-N 425.295 0.540 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798376 NQQQIROHQMLMJG-HJPURHCSSA-N 427.354 0.598 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)cc3)CC2)CC1 1836301225 DTMPVVQUHQLAHW-UHFFFAOYSA-N 445.564 0.950 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)ccn1 1837979978 XEYWZPJRZIAYAD-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838753916 BCWXOKMAUBBLDA-QWHCGFSZSA-N 430.343 0.905 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150807 XYILSAUWTQZVKH-XWIAVFTESA-N 438.352 0.594 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198436 DHFSXEHPWDPCEQ-BLLLJJGKSA-N 438.294 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839962330 BDKLCNHIVBNYNE-SJCJKPOMSA-N 445.314 0.369 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839962331 BDKLCNHIVBNYNE-SJKOYZFVSA-N 445.314 0.369 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840151662 JYOVQHKNSXSOES-LPHOPBHVSA-N 429.876 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840156389 RMWYKRRLMPNODQ-UEXGIBASSA-N 440.924 0.300 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1ccccc1=O 1840188488 MQFDPJFKFXBFAT-UGSOOPFHSA-N 432.304 0.669 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1841183823 LQGLFMLBBRMFFS-SFHVURJKSA-N 439.472 0.244 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1841923994 LNBSZDIFKWELSP-ZDUSSCGKSA-N 444.916 0.774 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nc2ccccn12 1844264268 ZXKSINTVDUZQPY-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)N(C)C(=O)OC(C)(C)C 1845063234 IITCCPBWIZDUCV-OAHLLOKOSA-N 445.325 0.439 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 16236536 CYFPKWWXCIFXIC-UHFFFAOYSA-N 446.489 0.077 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 18071570 RLUKKNYBMSEFNX-CYBMUJFWSA-N 427.465 0.879 50 20 ICGD CN1N=C(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CCC1=O 22259761 QPRUPVRAXZKXEA-UHFFFAOYSA-N 435.487 0.918 50 20 ICGD CN1CCN([C@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)c2cccs2)CC1 726086462 QDFSZNSODYDLAT-CQSZACIVSA-N 434.522 0.390 50 20 ICGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)Cn3ccc4ccccc43)CC2)no1 729511162 VTPKOZUIRJTVNI-UHFFFAOYSA-N 439.476 0.935 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1nccnc1Cl 734261209 DMDBKIPCQUESFM-GFCCVEGCSA-N 447.926 0.355 50 20 ICGD NC(=O)C1(c2ccccc2)CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 734487353 QHHNPSKHPMVVHI-UHFFFAOYSA-N 425.445 0.875 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 735118522 WEBUYVGHILJLFO-UHFFFAOYSA-N 438.441 0.822 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(Cc3cccs3)nn2)cc1 742471777 JORYKXPYARDSGC-UHFFFAOYSA-N 448.530 0.778 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1C 742478531 QTFXMSJZSANJOU-IGIMTQTPSA-N 429.473 0.771 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(cnn3C)c2OC)cc1OC 752366007 HACVIQJZGPHTCL-UHFFFAOYSA-N 443.416 0.612 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)COc3ccc(C#N)cc3)C2=O)cc1 753722973 MRIZXTWEUCIKHZ-IBGZPJMESA-N 432.440 0.940 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 755863466 LQYGUTDTGNRMML-UHFFFAOYSA-N 429.389 0.893 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 755934235 OUHGSDUWHTUGFI-UHFFFAOYSA-N 426.433 0.979 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 756231725 RWOFJLRWUIEGCC-JOCHJYFZSA-N 438.440 0.597 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cnccn3)c2)CC1 756358645 LQYDTRMWZTWSFB-UHFFFAOYSA-N 433.494 0.269 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2O)n1 756759704 KTBWEGUOLCPCDM-UHFFFAOYSA-N 446.283 0.862 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)C(=O)Nc1ccccn1 760821964 DIUTWQYCBNFKDP-ZDUSSCGKSA-N 448.480 0.073 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763663332 RMXLPZDGGUSEHI-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)c2ccccc2c1=O 763789733 BMVGTSMAZGIPCP-CQSZACIVSA-N 446.467 0.710 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc21 764006691 SLYQDUBQDZVALS-UHFFFAOYSA-N 439.428 0.854 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(O)c1 764109052 GOASVHNEIHCJQH-UHFFFAOYSA-N 445.863 0.690 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 764203992 NLSUADHNEXVVNS-UHFFFAOYSA-N 439.538 0.287 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1 764285395 DHWOJTXQPZVHKK-UHFFFAOYSA-N 436.494 0.159 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 764345825 XKWGPKYSDQNGRT-LBPRGKRZSA-N 446.445 0.233 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 764397385 IBLPFBPMSBFRPA-JTQLQIEISA-N 427.479 0.551 50 20 ICGD CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764433269 LRYZXNQWHZWWNY-NSHDSACASA-N 427.479 0.724 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 766922999 CDDQJSGBHMJJSG-AWEZNQCLSA-N 441.400 0.343 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2F)cc1 769747976 MHBDLPNPBLJFJC-UHFFFAOYSA-N 430.439 0.343 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 772140548 UXYNCTCIMPHLFD-LBPRGKRZSA-N 444.466 0.341 50 20 ICGD COC(=O)CCN1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)[C@@H](C)C1 774699724 IHJWBAPMPUKBHK-HNNXBMFYSA-N 433.513 0.003 50 20 ICGD CCOC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 777411879 JNJJVYCUNGVGGT-ZDUSSCGKSA-N 430.469 0.863 50 20 ICGD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 780917812 NRYWMUQQZWUVJZ-GFCCVEGCSA-N 435.462 0.696 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O)n1 781419734 QCISLLPGKZFEJT-CYBMUJFWSA-N 437.501 0.551 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 783650111 LPKNGKWBDWYFRU-QGZVFWFLSA-N 448.453 0.543 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccccc1-n1cncn1 784212901 HAHIMBCEGZJNMZ-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 785023947 RIESGMFWOTYZDR-UHFFFAOYSA-N 447.379 0.676 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)n[nH]1 792284096 HKRTYQGRKOVUDU-NRFANRHFSA-N 425.445 0.768 50 20 ICGD O=C(COC(=O)CCn1cnc2ccccc2c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 792689855 FYZUFIZNCJVHGH-UHFFFAOYSA-N 439.384 0.699 50 20 ICGD O=C(COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 792815263 AQLNGLVKKFRYGA-HNNXBMFYSA-N 447.425 0.860 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 793007982 DGOJHTAVHMIUIH-MRXNPFEDSA-N 440.508 0.630 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3cccc(C)n3)n[nH]c2n1 794077288 USAOGDMHAYNLNU-UHFFFAOYSA-N 430.498 0.062 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(C)c1 797003152 WZRZPKBPIVXYDT-QGZVFWFLSA-N 426.429 0.209 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(Cl)n1 797368971 KMNXFZURNYZNRF-UHFFFAOYSA-N 435.824 0.756 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)s1 806978152 PABITHQWZPPNQQ-MRVPVSSYSA-N 431.521 0.204 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2c(C)noc2n1 812883960 AUKWYKPXAKRMCC-HNNXBMFYSA-N 426.385 0.984 50 20 ICGD CCc1nc(C)c(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 815827015 IYONRJGGQINGGR-UHFFFAOYSA-N 449.533 0.621 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1cccs1 848978633 LYRBOBWUNKJMEF-GFCCVEGCSA-N 445.453 0.877 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccncc2)c1 865910072 LNWHACZLIJCKGD-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD CS(=O)(=O)Nc1cccc2c1CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2 918739813 BIBYCXBZMIENMF-UHFFFAOYSA-N 447.473 0.786 50 20 ICGD Cc1ccc(-c2noc(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1F 919888410 OBERVQHZPQNHTH-GFCCVEGCSA-N 425.442 0.634 50 20 ICGD N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1781330701 DFCZRQMBUQXNNK-FRFSOERESA-N 429.290 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782407471 FBCCKQGLIMGTEM-NRFANRHFSA-N 428.493 0.151 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1783877142 GIZBRHWNAUVCTC-XOBRGWDASA-N 435.864 0.519 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc2C1 1783950562 XZQHFSYKMKWMHH-SFHVURJKSA-N 430.336 0.966 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1784523326 FNSHUMBKJIEPJG-MXAVVETBSA-N 432.359 0.912 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21 1788610462 AAHJMRSQQFUETJ-CQDKDKBSSA-N 443.426 0.621 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1789661968 QUDMOSZDDXOWDP-GOSISDBHSA-N 447.536 0.645 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1789864522 VEDBGVDFUGVVBG-CYDGBPFRSA-N 433.983 0.844 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nc2ccccc2o1 1790346742 IKQYTXKDWYYKJR-KNBMTAEXSA-N 449.272 0.415 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287904 BMLJIOFXOJZBEM-ULQDDVLXSA-N 434.541 0.003 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289012 AYKXUWQHSQKODN-NEPXVJNWSA-N 446.552 0.235 50 20 ICGD COc1ccc(COCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1791380895 IJWFXXLDEBCWFK-WNHJNPCNSA-N 440.924 0.791 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794584055 WHJODQTUORXKMR-JFILPPLUSA-N 426.311 0.620 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc(C)c1O 1795740662 GVWBPWXUISQHQO-OPVJXMOQSA-N 438.289 0.206 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1796891897 NJRZUPBUZVFIKJ-MGGJZVGQSA-N 425.449 0.156 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2sccc2[nH]1 1797534874 LPIWKXJVHMTSIO-DBWKPXFBSA-N 433.534 0.806 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797986222 FMCDGZSSEOMKES-FMSGJZPZSA-N 441.326 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798592499 QNOHMAKXSSNDSN-YVWYUNDQSA-N 447.923 0.788 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800640164 WXHZDMLDLKSHMV-WJZNIJOASA-N 429.271 0.265 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c(F)cccc13)C2 1801011698 VXFBHIJWMQQTOV-IVWMJMPLSA-N 446.483 0.278 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804424996 JZUUESMUQPUEOT-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807359758 DJVHGINHZLLUKE-WIYYLYMNSA-N 443.272 0.595 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1807851035 AKTDKVCILLQKQO-LULLPPNCSA-N 437.972 0.323 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810534263 WKWMGKXFBUNSNX-KUDFPVQQSA-N 444.536 0.151 50 20 ICGD CC[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810233 MKXUATAFNBHAJK-AEJSXWLSSA-N 446.371 0.821 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350536 XFXFKZCTWUEIHF-YLVFBTJISA-N 431.323 0.456 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n[nH]1 1817471994 ASASJHIPTOWMHX-GOSISDBHSA-N 436.281 0.670 50 20 ICGD Cn1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)cn1 1819402279 ZFCNFCMQUJNRFU-INIZCTEOSA-N 437.464 0.761 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819449068 KGNAKONUZSIFGC-PPHDSNJXSA-N 444.330 0.836 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819532919 VEFHAFHSZLQDCX-WSROAFLRSA-N 448.549 0.263 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561068 BOWQKCNCITWHMR-RKDXNWHRSA-N 427.918 0.642 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)C1CC1)CC2 1819793297 LOGCKFANXIYSFY-SNVBAGLBSA-N 428.474 0.347 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824187224 AOZRCLKRHAXOTI-HUUCEWRRSA-N 426.901 0.780 50 20 ICGD Cn1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cn1 1827055471 YFAWGDZFRKNIQV-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830537418 HNOUPHIKZCDASN-KBXCAEBGSA-N 446.342 0.096 50 20 ICGD CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830546324 RGHUKQGQLSUPOD-CRAIPNDOSA-N 434.375 0.814 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830722555 CZLXZHDLIGVIJH-PXNSSMCTSA-N 426.897 0.294 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831191412 MUSKTDNKIAFSLI-PBFPGSCMSA-N 434.331 0.141 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831643668 GEJHUUWLDAYDAI-KXBFYZLASA-N 428.917 0.906 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCOCC2)CC1 1831870711 CKHADRQHLYNLAR-IBGZPJMESA-N 437.585 0.311 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832561490 QXXJDXTXQIKMBL-VQIMIIECSA-N 429.901 0.544 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3CCOCC3)CC2)CC1 1834548910 OYMAJRMVLPGTIQ-UHFFFAOYSA-N 437.585 0.358 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834732530 UDALDNTXSBEYJX-INIZCTEOSA-N 429.993 0.416 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1)c1cccc(B(O)O)c1 1834801323 YDYUXCFVZKITKD-OAQYLSRUSA-N 441.337 0.244 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835071831 PSWNBWCOLANQJZ-RXVVDRJESA-N 440.924 0.948 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839047294 IEIKKCMHNKVWES-OAQYLSRUSA-N 449.939 0.993 50 20 ICGD CC(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839849107 HRQWLQXKEPDMCC-NRFANRHFSA-N 433.509 0.191 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358462 IZJRMYMGJORFHI-DLBZAZTESA-N 434.324 0.361 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cncn1 1840417495 UUDFNOKTUMBVBD-BBRMVZONSA-N 430.303 0.081 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445602 BYMAGBNGCGDRPR-WMLDXEAASA-N 444.330 0.156 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC3(CCCN3C(=O)[C@H](O)CCl)C1)C2 1841353398 WSNUNUXBTXMUOT-DZGCQCFKSA-N 438.912 0.425 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1F 1843012227 QIHMZGQKFGDMIQ-UHFFFAOYSA-N 443.259 0.841 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843395646 POCIFKIJRKXSQJ-LBPRGKRZSA-N 429.506 0.459 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1cnc3ccccn13)C2 1844263390 ZOJTYULCMDSCPN-UHFFFAOYSA-N 433.472 0.393 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2c1=O 17190055 BKDWZRRUOLEFMA-UHFFFAOYSA-N 440.460 0.432 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 727761564 OZQDQTHAISRVAH-UHFFFAOYSA-N 439.321 0.337 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018007 CLSNKBUTXMJDEY-RUJPKEBESA-N 439.563 0.999 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)cc(OC)c1OC 728850850 DIMJMFVEAMPPJX-AWEZNQCLSA-N 428.445 0.850 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(-n2cnnn2)cc1 730516204 UYKXDJMBLPHECL-MRXNPFEDSA-N 449.427 0.248 50 20 ICGD O=C(NCC[S@@](=O)Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 735100375 RHZNKTHLSXJDRV-SSEXGKCCSA-N 430.534 0.972 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(-c3ccco3)[nH]n2)CC1 735117935 JQDPCJQTUIWJSR-UHFFFAOYSA-N 431.478 0.758 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1OC(C)C 735583950 MCFIVPHBCUCBLY-OAHLLOKOSA-N 430.465 0.965 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)NC1CCCC1 744053191 GGSFRCAYNRAQJM-AWEZNQCLSA-N 436.490 0.897 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 745861667 NXKRIOWBDYCBLG-ZFWWWQNUSA-N 426.495 0.077 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 746217627 LTCMIXDMEDOFMM-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD CC(=O)[C@H]1CC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)=NN1c1ccccc1 750862556 BTWDRPCVVUAFNN-GOSISDBHSA-N 432.440 0.918 50 20 ICGD COc1cc(NC(=O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1 752000466 UWPNUEZSODHROK-UHFFFAOYSA-N 440.420 0.262 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1F 752399721 JWNJZQHZTRUFMH-UHFFFAOYSA-N 441.437 0.834 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(COC)C1CC1)c(=O)n2Cc1ccccc1 754258707 NCLGMCKCFUXLAZ-UHFFFAOYSA-N 438.488 0.957 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccccc2F)n([C@H]2CCS(=O)(=O)C2)n1 755537455 VGLAVCHQIJWRRH-LBPRGKRZSA-N 425.442 0.922 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NC1CC1 756713760 YJMSMDXEIBXDOS-LBPRGKRZSA-N 444.535 0.332 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1 763640040 OHHUBMSBRAUPJB-UHFFFAOYSA-N 429.355 0.713 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763682124 XOCZCVMATNBTJY-UHFFFAOYSA-N 441.412 0.674 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763842373 ZPNVZYVEUQCCRC-UHFFFAOYSA-N 443.391 0.042 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)cc1 763872583 OSLHFLGCXMYMPS-LBPRGKRZSA-N 440.412 0.888 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)ccc1OC(C)C 763915580 AMBQYMBHKJHGQQ-UHFFFAOYSA-N 428.445 0.910 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764163498 JXEUIGAEMWKNLF-QGZVFWFLSA-N 426.429 0.974 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764202442 CNZKTSYVHZIVRZ-KRWDZBQOSA-N 432.477 0.223 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)cn1 764360174 UJEFWJPYRMHXMR-UHFFFAOYSA-N 446.464 0.723 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)ccc1C 764363507 QSXSEDCTYJQOHE-UHFFFAOYSA-N 436.494 0.159 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCCCC2 764430075 RROZEFIYAFVQSC-LBPRGKRZSA-N 439.490 0.695 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC3(O)CCCC3)CC2)cc1 766636729 SUDDBECLWIYINC-UHFFFAOYSA-N 438.550 0.144 50 20 ICGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656324 ZKVUESVSQWEOGS-SFHVURJKSA-N 444.536 0.174 50 20 ICGD CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1 767750710 LUFGFVURTHBHEG-UHFFFAOYSA-N 437.547 0.703 50 20 ICGD CN(CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)S(=O)(=O)c1cccnc1 768289440 ZVRFJDXCVLOCQI-UHFFFAOYSA-N 432.437 0.693 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1 770980113 MZPZYSVBJMTTGO-UHFFFAOYSA-N 449.493 0.865 50 20 ICGD Cn1c(=O)n(CCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 772196913 TUUZRIMFGUEFLH-UHFFFAOYSA-N 429.864 0.847 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)n1 773731345 QTZLQXMWBAHJJU-UHFFFAOYSA-N 437.416 0.980 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NNc1ccccn1)c(=O)n2Cc1ccccc1 777469180 BAIUSVPPXLCVKO-UHFFFAOYSA-N 449.471 0.593 50 20 ICGD O=C(Cc1ccccc1)NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777919 SQTIULRUEZMKMZ-UHFFFAOYSA-N 432.340 0.562 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 779050637 CUDREVXYGCEESI-UHFFFAOYSA-N 431.316 0.354 50 20 ICGD CC1CCN(CCc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)CC1 784000283 XSXILRNIDVSEMZ-UHFFFAOYSA-N 429.521 0.669 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)o1 795557588 LNSTWXPBZXAFFT-UHFFFAOYSA-N 448.505 0.737 50 20 ICGD COC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 804124376 NIUGHZNXRZMWQO-UHFFFAOYSA-N 427.479 0.978 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(Br)ccc1O 815569170 JNYCAZVBLZNVPW-UHFFFAOYSA-N 440.210 0.075 50 20 ICGD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691951 GJGSGNVQLGYARG-SECBINFHSA-N 448.896 0.742 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 815692850 DGIIQSXOGLVMGB-AWEZNQCLSA-N 434.460 0.690 50 20 ICGD O=C(COC(=O)Cn1cccc(C(F)(F)F)c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 907460251 COJQVVNYJKRPGH-UHFFFAOYSA-N 442.306 0.780 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 912920132 VSZDGOWIVWQMBV-HZPDHXFCSA-N 448.545 0.765 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CCS(=O)(=O)C1 914536705 GQXBAXHACFXFLA-MNOVXSKESA-N 434.312 0.982 50 20 ICGD Cc1nc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 916230169 KNDCGPXCLOCACF-UHFFFAOYSA-N 439.519 0.617 50 20 ICGD Cc1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nnn1-c1ccccc1 919962771 SFPDIMORDPCVSM-UHFFFAOYSA-N 442.501 0.830 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H]1CCOC1)N(S(C)(=O)=O)CC2 921202987 NZZAVFSUKHBLPE-DZGCQCFKSA-N 441.506 0.137 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)nc2ccccc21 921302213 VELUNITZBGARQE-WTANOLMUSA-N 430.534 0.989 50 20 ICGD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1254281235 TWQBQUSHTSOOCR-LDYMZIIASA-N 425.433 0.683 50 20 ICGD COCc1ncsc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1306648634 VGDCZQOYQFNFAO-UHFFFAOYSA-N 426.524 0.378 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933752 WTYSHTDGQIGHJB-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1783966288 DCQSEVRGMAFASR-AJNGGQMLSA-N 446.342 0.839 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccoc3)[C@H]2C1 1785129270 VMGCSBAIRXNSGQ-BYXVVSMXSA-N 439.472 0.585 50 20 ICGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786746636 HWOKTZYSTBSSRG-YXWQFLTLSA-N 436.322 0.379 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787446631 UOKYFEAIQKAAQL-ZCRGAIPPSA-N 427.864 0.109 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1796587635 IUOTXHBIHQNZPV-GUIRCDHDSA-N 429.315 0.516 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797376603 OUYYUEPDFHATSG-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD CCOC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798442824 HZKYHDIZJMSORR-BTTYYORXSA-N 429.477 0.280 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(F)c1F 1801745240 PGYYHLPWMXXTLY-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803232778 QNKMCEKWZQFHMM-SXLOBPIMSA-N 425.294 0.098 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1807361270 WKSYRCWGRUTNPC-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807367317 YWHJTBWSBZSNAK-CVAIRZPRSA-N 425.294 0.364 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(C)C 1809971986 FQEWEMXVNRIRAX-FQEVSTJZSA-N 444.337 0.799 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)Cn3ccccc3=O)C2)CC1 1810036305 WJHNJROXDZSMDA-UHFFFAOYSA-N 431.537 0.453 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1812778254 ITYWRDUHENQPBG-YDHLFZDLSA-N 426.315 0.929 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067914 HJQTZOYCBMVBIY-IAECCPNBSA-N 433.553 0.867 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccn3)sc2C1 1815715901 XLCZJQUVORSGLL-NSHDSACASA-N 440.489 0.264 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)c1cccc(B(O)O)c1 1825686999 JGURTSGVVLCQFJ-HWMZRRJGSA-N 441.318 0.616 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829877625 HUKUCFWUTANVOJ-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544380 WWBJKNMVJBWNFS-SUMWQHHRSA-N 434.331 0.000 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1830545576 KYAVKTUSMJBNSY-YPIIOCQESA-N 431.327 0.366 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 1830723524 PBICZKUFQDAQCT-SWLSCSKDSA-N 428.835 0.775 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831477429 BKSZFFHVAWZDGX-SJKOYZFVSA-N 434.331 0.141 50 20 ICGD O=C(COc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832680335 WHTPTXHANSWEGX-DOTOQJQBSA-N 446.273 0.607 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1833264311 CQHVQBFJTZTXBQ-CYBMUJFWSA-N 431.375 0.855 50 20 ICGD COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306686 XKHJKSUHCZTTGO-OAHLLOKOSA-N 435.974 0.064 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176589 MTYCZOPNZGENDT-PBHICJAKSA-N 429.315 0.664 50 20 ICGD O=C(O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)ncn1 1835078753 VRMUXXXCBBCIGU-HNNXBMFYSA-N 427.864 0.894 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)co1 1837422021 MZKYNRLEEOQJCK-KXBFYZLASA-N 444.988 0.495 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715585 YMZJSSXTLNOACE-MYUZEXMDSA-N 434.631 0.453 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717334 CDVUQCAXPBGTJU-QAPCUYQASA-N 434.631 0.408 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838646007 MYYVEIXNWXBEKQ-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)no1 1839150675 UNHAYZSPYVEGFJ-SJORKVTESA-N 435.308 0.613 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198242 AJLZMUUFSIMDOH-WMLDXEAASA-N 446.273 0.851 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839449171 WWJVHAYDGTYJQX-SGTLLEGYSA-N 443.294 0.951 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840052453 GYQKZFOEQSQVRB-FXAWDEMLSA-N 428.888 0.814 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)cc1 1840187251 OZDDUQSEKNWYQS-HNAYVOBHSA-N 447.315 0.989 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840493014 PFTAHKRJYXCQBL-QOKNQOGYSA-N 428.917 0.463 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnn3cccnc13)C2 1843416325 WTPZCLXYRDCEAN-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)N1 1848098977 BNXJWUFPLAGHRX-XUXIUFHCSA-N 428.917 0.599 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 14349936 ASEXGLIZUPNTDF-UHFFFAOYSA-N 429.477 0.382 50 20 ICGD Cn1nc(C(=O)NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2c1=O 117278434 XAKVNOKYOSMUNC-UHFFFAOYSA-N 439.453 0.181 50 20 ICGD NS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 726381832 HSNGRHUMYBSHEG-UHFFFAOYSA-N 431.268 0.655 50 20 ICGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 731594454 HPLJEZMMMUDBIA-VIFPVBQESA-N 432.501 0.432 50 20 ICGD COc1ccnc(NNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 732913550 AGMFCAKWBFOSGK-AWEZNQCLSA-N 429.485 0.407 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 733775083 XHEYGCYSZQWRKA-HNNXBMFYSA-N 435.396 0.953 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)nc1 737058227 XZHGKNPSUSEKCC-HNNXBMFYSA-N 440.570 0.895 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 746553077 FRNVNACZPKLVAE-UHFFFAOYSA-N 432.440 0.096 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 747323982 VZBHQDFRTAOPNL-INIZCTEOSA-N 433.446 0.533 50 20 ICGD O=C(CCOC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753180924 WVIGQKODQLCBLB-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)n1 753515032 ZKFDQOOCRPZCGI-UHFFFAOYSA-N 444.491 0.150 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2CCCC3)n(C)c1=O 755393891 UAZIAYSDAZWEHJ-UHFFFAOYSA-N 425.449 0.165 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 755537439 VGLAVCHQIJWRRH-GFCCVEGCSA-N 425.442 0.922 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2cccc(CS(C)(=O)=O)c2)c2ccccc2c1=O 756270131 UTEPWWVDWKZTLQ-UHFFFAOYSA-N 429.458 0.945 50 20 ICGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 756392178 MNXWSRILBHPVMN-UHFFFAOYSA-N 435.444 0.944 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)c1 758822319 QHFNWKLOSRNGGI-ZDUSSCGKSA-N 428.449 0.647 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1 760052846 GCAYHEMGEYEQRU-UHFFFAOYSA-N 438.428 0.220 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3cc(C)[nH]n3)ccc21 763118633 IOHXCCVTRYTIEE-UHFFFAOYSA-N 428.453 0.449 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 763465559 AARCIBHOKIOMQK-UHFFFAOYSA-N 438.393 0.927 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cc1C(N)=O 763481970 AOJACLLNZZPEFX-UHFFFAOYSA-N 436.222 0.351 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 763810760 AUPIGVROMODFTK-UHFFFAOYSA-N 446.485 0.601 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763820806 IYCSCGPIJAAIMI-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccn2C)c2ccccc2O1 763992210 AMYDQNCCRRCNDR-GOSISDBHSA-N 441.488 0.885 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cn1 764026328 XMCSEQWLLJCEIS-UHFFFAOYSA-N 447.498 0.666 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)o1 764138099 AZLKCSGBLYFUOM-UHFFFAOYSA-N 445.476 0.889 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 764344569 ZXNKMXGJRASOPN-INIZCTEOSA-N 449.471 0.388 50 20 ICGD O=C(Nc1ccccc1)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435833 XGGROYRGUOMRCD-INIZCTEOSA-N 427.417 0.832 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766531547 SSBWHAHITQSCFP-SNVBAGLBSA-N 437.815 0.938 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)C(F)(F)F)CC2)cc1 766636771 UTBROJWCZCILMG-ZDUSSCGKSA-N 436.456 0.647 50 20 ICGD Cn1cc(-c2cncc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c2)cn1 766643493 QPDCYOCBOMGPCV-UHFFFAOYSA-N 447.499 0.701 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2csc(-c3ccc(F)cc3)n2)c(=O)n(C)c1=O 767302421 QVNSBOMMYCTGPE-UHFFFAOYSA-N 434.478 0.984 50 20 ICGD Cn1cnc2cc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc21 767851638 RNLZMXZGRVFKEW-UHFFFAOYSA-N 437.341 0.562 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCN(C)S(=O)(=O)c1cccs1 771945414 AOHJAXZSHXSZFT-UHFFFAOYSA-N 442.519 0.787 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1nccc(OC)n1 773724167 NEENJKDATPUILS-UHFFFAOYSA-N 435.393 0.379 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1 773887589 BDQXKSVRTRRSLZ-UHFFFAOYSA-N 438.437 0.716 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 782896596 KOFQMUVEHDRZME-UHFFFAOYSA-N 448.461 0.904 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 783511146 XUZSYFJCXUXIKB-UHFFFAOYSA-N 448.501 0.498 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 784003518 YBKMQEQLWXHJCH-UHFFFAOYSA-N 449.895 0.674 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 787428929 NXZQJKXXQRMNIU-JSGCOSHPSA-N 428.898 0.206 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 787436280 UYUAFSKTUPDRPZ-UHFFFAOYSA-N 447.864 0.895 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 789732126 QEZQDZOWBTZDMY-INIZCTEOSA-N 444.513 0.844 50 20 ICGD Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 790697823 MSSBLCYYMLOPLS-SFHVURJKSA-N 434.460 0.716 50 20 ICGD O=C(Cn1ccc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 790919863 UQTDJBFQXKPOIT-UHFFFAOYSA-N 428.308 0.828 50 20 ICGD COc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(OC)c1 792916633 ZRTNSFQTMJDQCU-UHFFFAOYSA-N 445.432 0.605 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 792966964 KFOHDORSKXSCAB-UHFFFAOYSA-N 431.268 0.275 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cccc(OC(F)F)c1 796125836 JXARNYWPKWXTLA-UHFFFAOYSA-N 439.400 0.904 50 20 ICGD N#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369210 QHSCSJJPAXANDO-UHFFFAOYSA-N 443.391 0.740 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 802120790 ZTPIPSBHLNMTCW-SFHVURJKSA-N 432.525 0.619 50 20 ICGD COC(=O)N(C)NC(=O)C[C@]1(C(=O)NN(C)C(=O)OC)CCN(C(=O)OC(C)(C)C)C1 804124954 POMRNNKPYFZAPY-GOSISDBHSA-N 445.473 0.463 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 807235980 VEAOXSKCGHJUHH-YEJXKQKISA-N 447.492 0.793 50 20 ICGD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815780472 YLENDJJEOSADHV-QGZVFWFLSA-N 431.493 0.766 50 20 ICGD CC(C)(C)OC(=O)NCCc1nc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cs1 816882738 LLBCLNDYAZANRU-NSHDSACASA-N 435.510 0.825 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 838480931 FUNPXGVQFKOCTB-UHFFFAOYSA-N 430.446 0.370 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccnc(-n3cccn3)c2)c1 916394282 KXYQKUZPLGMGND-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCS(=O)(=O)Cc1ccccc1 916635785 CVMUCKWCVZIOES-UHFFFAOYSA-N 436.446 0.919 50 20 ICGD CC(C)(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 917182361 CGPYGHKTOOJALR-VSKPTYQZSA-N 445.563 0.574 50 20 ICGD COC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 918419704 LAOYNSPCTQBADT-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 1322650211 LIIWLPAMUDFPSA-UHFFFAOYSA-N 428.511 0.157 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 1325158298 OEJOEQPTNYRNSN-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1341635010 RRJBEDNCLMUULD-FZKQIMNGSA-N 425.511 0.570 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2)[C@@H](F)Br 1780773745 VOSMZRYTRQTPHD-GLKRBJQHSA-N 447.261 0.706 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335261 WZUOLRMQFJEFMQ-UKRRQHHQSA-N 433.234 0.081 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCCC1)C2 1782213943 HBYCMAQUUANKMQ-XMSQKQJNSA-N 437.585 0.359 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1782215163 UWDJUARPEJUGMM-OXQOHEQNSA-N 442.633 0.725 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782607650 UVFLYSRRQVDPJW-VMUDFCTBSA-N 443.346 0.922 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783633516 NUDSFKOUQWWQTM-QTVXIADOSA-N 430.343 0.666 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784099154 RBVOVTCWVHONSD-CWVYHPPDSA-N 447.960 0.727 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1784453069 HTQSDFWRJZSIDS-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD NC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1 1784930968 PPFQICUGAIJZMQ-SUMWQHHRSA-N 428.258 0.920 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786984322 CYLRRROTWIYCJR-BPUTZDHNSA-N 428.216 0.302 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ncn(-c2ccccc2)n1 1787583356 OEUUUBIXAZWMGB-LLLHUVSDSA-N 433.896 0.460 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1790964190 UBZFBYHYJUDJKM-NTIKPUAMSA-N 449.342 0.755 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791057740 OYNNIFPAOODGID-HOSILWTGSA-N 443.342 0.906 50 20 ICGD CCS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791599403 GABYLEZJOMXSOB-UHFFFAOYSA-N 438.550 0.928 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1792873262 REFDZZCLOZJQIM-KOFHJDLBSA-N 426.311 0.950 50 20 ICGD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1F 1796188283 LOKKAIZVPOKFNR-BJWYYQGGSA-N 427.241 0.475 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(C)(C)C 1796189928 MYDFMRXBHHPAIO-RDGPPVDQSA-N 429.326 0.169 50 20 ICGD C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)n[nH]c21 1796976157 ZPBUUXXIIWEMTQ-VYGYDYRJSA-N 432.525 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1OC)C2 1800973210 CZJMZERDORDQTI-NXEZDXNNSA-N 426.897 0.917 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801762215 AXDJCTBHACOUPO-KJLVNVKXSA-N 447.300 0.510 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1 1805476224 KXQDKGNFJQXRSG-TZIWHRDSSA-N 430.273 0.790 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1)[C@@H]1SC(=N)NC1=O 1805523608 QGVWXSJFOJSENV-XQQFMLRXSA-N 430.958 0.620 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807118188 FYGRAKAHTCLCSA-NOLJZWGESA-N 437.342 0.711 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)[C@@H](F)Cl 1808308881 IWQFXNCJFHGUCM-TUKIKUTGSA-N 433.831 0.667 50 20 ICGD CC[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809825287 ZBVYMSNRDMLRAH-UONOGXRCSA-N 431.375 0.984 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401985 ZNNJFUCKENUYCM-RDJZCZTQSA-N 429.481 0.731 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2 1819472865 LTGYJXLXSZPJFO-QTTZVWFDSA-N 425.294 0.923 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](Cl)COC)CC2 1819473090 PESGAZPQKOYJTM-RFXMVYNHSA-N 434.902 0.373 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819520113 WHNXPSBJCCQIOO-AOAWJKDVSA-N 443.595 0.587 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cnn2c1CCC2 1821451139 WKTLKJYPNGQVET-LJQANCHMSA-N 448.292 0.852 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055626 GGQSKHXGFMVKNN-FPOVZHCZSA-N 440.305 0.926 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)CN1 1833118523 CMIDHHNJVOJDNL-CQSZACIVSA-N 443.386 0.869 50 20 ICGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833519733 GXKZHMWMIIOOSL-CYBMUJFWSA-N 431.375 0.855 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448854 KDHOBVYZPOSANU-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1834818898 AHTVHCDMOZNLEL-WBVHZDCISA-N 431.283 0.554 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834819349 MBDRZMXYAIABSK-KRWDZBQOSA-N 434.331 0.096 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835834713 GQDQAXQSRXDGHZ-OAHLLOKOSA-N 426.634 0.921 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124808 RXJKXRNMUJCPGN-MGPUTAFESA-N 441.912 0.873 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161504 BRBVSHRQABJTFW-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD Cc1oncc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837507450 QEOSBGOADIPXMK-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1 1837590113 WDPUTSPMGYIUGA-UHFFFAOYSA-N 448.520 0.625 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837717579 HNIMZKAXZJYELL-UHYCVJNDSA-N 428.602 0.845 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838938920 RIBAEBXBHOWCSD-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839119276 NQPIXVQYOYULNM-UTKZUKDTSA-N 443.972 0.715 50 20 ICGD O=C(c1cccc(F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200152 GJRPKPOOQQPHFJ-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839710371 CAVQHMHXXFXZEP-ZQIUZPCESA-N 444.330 0.469 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839715764 VMYZBGRZVKAIEI-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839963265 GHFKKMOHBQYEDA-PXAZEXFGSA-N 443.298 0.426 50 20 ICGD O=C(COc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839968146 RYQJYNZDKOIMHF-BEFAXECRSA-N 430.860 0.261 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840031756 BIEWBESHNQLUMJ-YEWWUXTCSA-N 441.326 0.321 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840386271 QBOGGCSPLRJIHG-APWZRJJASA-N 428.917 0.028 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840602755 OTUMAPJQKYXIQL-HSZRJFAPSA-N 442.321 0.017 50 20 ICGD O=C(CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)Nc1ccc(F)cc1 1843014367 BTGGTQOSXNAWGZ-UHFFFAOYSA-N 439.252 0.351 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ncn(C(C)C)n2)C1 1843536180 LLTXIBQDSLFZGM-OEAKJJBVSA-N 426.481 0.810 50 20 ICGD CC(C)Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n(C)n1 1844264211 SWWGHNKNWPJNEP-UHFFFAOYSA-N 439.520 0.748 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Nc2cnccn2)C1 1844278135 DMKJQXHYHVKWTI-BBRAPTODSA-N 438.492 0.614 50 20 ICGD CC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1846009129 MYYNGQFALVSKIV-UHFFFAOYSA-N 432.433 0.863 50 20 ICGD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 15639724 CMRXPLYREUFDBB-UKRRQHHQSA-N 443.547 0.445 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1 46772715 SXSSYEDXAYXSCL-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 728262823 NDUGNMHAZCTLDH-UHFFFAOYSA-N 442.431 0.167 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1 729623687 OMLNONMPEMEBLR-JKSUJKDBSA-N 441.554 0.055 50 20 ICGD C#CCOc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OCC 730571417 RCWQXQCKJRPFFK-UHFFFAOYSA-N 431.474 0.132 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ncn2nccc2c1=O 732750942 DUDUASFDQSESQT-SNVBAGLBSA-N 435.238 0.268 50 20 ICGD CCc1cc(NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)nc(-c2ccccn2)n1 734356371 CDPRXZORYGWHRL-UHFFFAOYSA-N 435.448 0.853 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 743289431 UFRLTUASKWKGHA-LBPRGKRZSA-N 445.505 0.555 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 745848972 YXLSDQZCMYOLHE-ZDUSSCGKSA-N 443.416 0.924 50 20 ICGD CCc1nc(CN2CCN(CC(=O)NNC(=O)c3cc(Cl)ccc3OC)CC2)no1 746478514 BUOSFSVAHPDTON-UHFFFAOYSA-N 436.900 0.873 50 20 ICGD CN(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1C=O 746594157 JNZMLGXYTRWRGY-GFCCVEGCSA-N 436.412 0.472 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 747345126 IYGDDZKIVDUDHT-UHFFFAOYSA-N 440.342 0.561 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cc2ccccc2o1 749562756 DWXOEXQLLNNOOJ-UHFFFAOYSA-N 437.460 0.906 50 20 ICGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)C1 753093963 IDAVXLKQHLRHCC-NSHDSACASA-N 449.327 0.440 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)Cc3cn4ccccc4n3)C2)nc1 753280199 RCTQHXPFIULNMT-UHFFFAOYSA-N 437.460 0.668 50 20 ICGD Cn1c(=O)oc2cc(C=NNC(=O)C(=O)NN=Cc3ccc4c(c3)oc(=O)n4C)ccc21 754895334 NHHPEDNXBMGDDW-UHFFFAOYSA-N 436.384 0.177 50 20 ICGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 758359507 BXFMSBNLAIABGZ-UHFFFAOYSA-N 447.883 0.804 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763454996 LXPXMISUNLUKPW-UHFFFAOYSA-N 442.356 0.991 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 763679124 GXXKXIBSAGCHFU-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD Cc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)c1 764226104 FVAIQTHIQAXIGF-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 766280983 XBJZNBDGWJMDPW-JKSUJKDBSA-N 437.522 0.330 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccc(F)cc3)CCCC2)n(C)c1=O 766646236 YARYKVQOWDIHJP-UHFFFAOYSA-N 442.451 0.232 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@@H](C)O)cc1 767302745 WBUDZRRLDDVLPK-BVGQSLNGSA-N 449.485 0.010 50 20 ICGD C[C@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 770967673 RSKCXHZMOSXHBL-JOLIMNQDSA-N 443.464 0.281 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(C)=O 772006165 FVJYIHMVYZLUFM-SFHVURJKSA-N 444.396 0.765 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 780441571 XWRHITZPKYSNGR-MRXNPFEDSA-N 425.449 0.613 50 20 ICGD Cc1cc(-c2ncccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs1 782701785 CCBJJJVGTJBUSH-JTQLQIEISA-N 425.492 0.142 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)c1 784851713 PEFYFXQBARGZRU-UHFFFAOYSA-N 436.446 0.737 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)C1CC1 785669688 IRJBCIVFKMNPBE-UHFFFAOYSA-N 443.547 0.588 50 20 ICGD COc1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 792595530 AWIFFHARNZLFRQ-SFHVURJKSA-N 430.413 0.777 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCc2c(cccc2S(=O)(=O)N(C)C)C1 792891132 DIQFEOPLUBYRNU-UHFFFAOYSA-N 444.557 0.994 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 794415255 MDQJZTPPPJEQCS-UHFFFAOYSA-N 430.373 0.566 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 796179262 CGBRYXBLBACNHN-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2O)c1 802587164 NPEOQYXHDWGSDM-UHFFFAOYSA-N 425.850 0.988 50 20 ICGD Cc1cc(=O)cc(C)n1CCCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 811354220 MZPNGLDBCYSHTE-IBGZPJMESA-N 443.456 0.776 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)cc1 815565790 AJMVYBKZJZJWGX-NSHDSACASA-N 433.421 0.159 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 818757301 UBQKYPTZFVTRFP-UHFFFAOYSA-N 432.256 0.223 50 20 ICGD CCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 913898021 LOQAAKFEVNAHFF-UHFFFAOYSA-N 449.533 0.544 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2OC)c1 913915386 XKSCFTXHNMVSIY-UHFFFAOYSA-N 437.474 0.460 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1C 916562991 XUOLMSLPFFANKO-HSZRJFAPSA-N 449.467 0.783 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1 916636220 VLDVLFUPFSHTCH-AAEUAGOBSA-N 442.563 0.510 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)oc3C)CC2)cc1 916728559 NDMRBOSWGPFHFD-UHFFFAOYSA-N 434.518 0.972 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)nc3cc(C)nn23)cc1 916745639 AETFPDMVKIPZDF-UHFFFAOYSA-N 430.490 0.736 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)n(C)c2n(C)c1=O 919691641 IULFFJSMRAFERW-UHFFFAOYSA-N 429.502 0.981 50 20 ICGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1325075997 FFNTVLNBHNTGMB-AWEZNQCLSA-N 449.533 0.426 50 20 ICGD O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 1334904676 CTNSOZBPLMQRPS-UHFFFAOYSA-N 428.536 0.452 50 20 ICGD Cc1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)s1 1778392261 NKBCSVKVFJBDNC-WIYYLYMNSA-N 443.334 0.573 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036808 GCRRICHSLPVEFS-OPAMFIHVSA-N 446.552 0.107 50 20 ICGD N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1780697616 OTHIIZIMQFYFAQ-JOCHJYFZSA-N 434.456 0.314 50 20 ICGD Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)cc1O 1780770773 AMUYRMPUIWBORG-AXAPSJFSSA-N 433.278 0.944 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780956573 ZIFJEEQEDGZYLD-LAUBAEHRSA-N 436.940 0.728 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331016 CVHFMRKPYIGQSI-CZUORRHYSA-N 426.246 0.863 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1782171241 VPIYLWKGISXCMQ-BXTJHSDWSA-N 440.928 0.768 50 20 ICGD CCO/C=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782378947 DLSVLXDLOFBLDG-FLNKPDCSSA-N 431.493 0.363 50 20 ICGD O=C(CC[C@@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782770579 URIRXIYLGFVUFU-HCLVMJGWSA-N 444.337 0.311 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1783878408 DTHAIXHNLOCXPF-ULMVMLMRSA-N 428.913 0.826 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983323 MGQWPBCCNYPHRW-XIRDDKMYSA-N 438.280 0.641 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787443796 TYBYSDPQJWGTMZ-HTVCTNPSSA-N 437.896 0.386 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921638 TYCAPDILHGARAH-RMIALFOJSA-N 441.319 0.563 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922195 AEKWBEBQUFZVEJ-NZBPQXDJSA-N 447.305 0.813 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)nn1C 1789924481 GRZRNCAZFACDLN-WRZDFSGXSA-N 433.278 0.713 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976251 SFZFQYBNTNXCKW-XRGAULLZSA-N 439.896 0.450 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1795115736 JZUBRYAOOTXVSZ-XOIINTDNSA-N 436.306 0.918 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1796441721 VPJUMNVGNIAYSO-RBZXCYDUSA-N 449.584 0.562 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798595991 AOTBEWPXWBGLCV-XQLPTFJDSA-N 430.509 0.242 50 20 ICGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)Oc1ccccc1 1800344037 IYDAEFHJWWCGLJ-PRHHBONVSA-N 446.548 0.807 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 1800974477 VJHZCHRGVWISDT-WTNVTLLGSA-N 426.897 0.572 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523936 ZSLMXOAUBGVEDU-GJZGRUSLSA-N 447.960 0.703 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncccn1 1805777585 ZSQUVUWMHILAAR-HKUYNNGSSA-N 431.261 0.185 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807359756 DJVHGINHZLLUKE-NQIIRXRSSA-N 443.272 0.595 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364593 QXSCNFSEPAIRAM-DYESRHJHSA-N 439.277 0.034 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccncc2O)[C@H]1c1cccnc1 1810665921 FAQJELNSAVZTQB-HRAATJIYSA-N 440.504 0.875 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1814801767 JJKLBPSNYOMGNQ-BDAKNGLRSA-N 432.344 0.433 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349973 BMKWGPOOWBSTRT-DOMZBBRYSA-N 427.291 0.087 50 20 ICGD Cn1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815361711 ODGTVELYVQUNFL-HNNXBMFYSA-N 439.306 0.025 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)on1 1817474068 LAMLRKHEUAUGEC-SFHVURJKSA-N 437.265 0.935 50 20 ICGD COCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817474085 LQXBHCKUTYHXKG-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)NC=O)n[nH]1 1820874280 AUMDEXQDWZTEAA-ROSSUFOISA-N 442.480 0.670 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H]1CCCOC1 1823464749 GUBWMESBAZVBQB-MAUKXSAKSA-N 426.282 0.822 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050918 HDGWEPNFAJUSOU-ORYQWCPZSA-N 429.370 0.973 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1830537122 BSTUSCGYAQLRNA-BZNIZROVSA-N 447.355 0.826 50 20 ICGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1cccc(Cl)c1 1830723315 NFEVMFXNIXUGQW-GJYPPUQNSA-N 446.331 0.396 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831074213 YNXRXCKXKOYOAO-UTKZUKDTSA-N 429.370 0.940 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831179339 VDUPQLPADDVGJX-AEFFLSMTSA-N 433.557 0.832 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831475531 MBBOSXUIHOLPEC-IBGZPJMESA-N 429.590 0.209 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833502471 QTZKTCMNXODPGH-IIBYNOLFSA-N 439.601 0.338 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1835081713 BHXUXKJKXMEISM-CRAIPNDOSA-N 431.984 0.728 50 20 ICGD CCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1837539837 SRIQAJFPDCTGAU-UHFFFAOYSA-N 448.568 0.888 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837949104 JAYWVOOSIYWFNV-INIZCTEOSA-N 433.248 0.049 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3)CCO2)C1 1838850671 MRSWTUMYWXCFIM-QFIPXVFZSA-N 439.472 0.069 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199179 RTHNFEUEHWFFJP-ZQIUZPCESA-N 436.322 0.618 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1839963609 QFOXEGXLLDDWQQ-WMLDXEAASA-N 429.315 0.513 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840032537 BRPCQDXZHMAZFD-QMTHXVAHSA-N 443.241 0.336 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840153511 QKVZVXHQLFETBJ-KUHUBIRLSA-N 443.884 0.562 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188660 WCICEVNLIMHULF-WDEWIYFLSA-N 438.308 0.776 50 20 ICGD CC/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840630079 BVJICNQEPOENED-NVHXZXBISA-N 445.520 0.933 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841355509 XBWWAXFVFGKFHI-HNNXBMFYSA-N 445.325 0.344 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1COc2ccccc2O1 1847753092 DYLOWPUSDSWPIC-ULQDDVLXSA-N 430.505 0.791 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)C)c(=O)n2Cc1ccccc1 10161509 YDLHUSIFLJOQIK-UHFFFAOYSA-N 440.504 0.867 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 17060836 SRIDTOAHTJDBDP-UHFFFAOYSA-N 427.504 0.932 50 20 ICGD Cc1nn(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1[N+](=O)[O-] 726379772 OTJLZNGLQPQGOJ-UHFFFAOYSA-N 438.466 0.510 50 20 ICGD CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 727552805 KWHQWCPSEPQKEC-KRWDZBQOSA-N 443.416 0.749 50 20 ICGD Cn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 728335279 ZJFASYOQZVSCHZ-INIZCTEOSA-N 426.385 0.423 50 20 ICGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 731761920 OENLPSGMZZFNEL-UHFFFAOYSA-N 429.481 0.075 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)NCCN2CCOCC2)c1C 732156994 RFCLHXYSGJGSAF-XNHPLOEXSA-N 431.537 0.784 50 20 ICGD COCCOc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735118277 PQGRXBPVYMFLIT-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD COc1ccc(OCCS(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 740705043 FLWLBOAACPKLGZ-UHFFFAOYSA-N 442.519 0.632 50 20 ICGD CN1CCC[C@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1=O 748664637 LYGYSWHDDKFDBZ-SFHVURJKSA-N 448.487 0.953 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)cc1 749589425 HOULMGAVBHERKJ-CVEARBPZSA-N 425.555 0.819 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(OC)c1 752166545 HXEWQRXFFQPXGY-NSHDSACASA-N 443.503 0.544 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cc(Cl)ccc1O)OCO2 753842076 XFFAEOKPSNWGHW-UHFFFAOYSA-N 435.776 0.961 50 20 ICGD CC1=C(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCO1 755425684 FBGIVSUPHBNPTP-UHFFFAOYSA-N 437.518 0.872 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1 760264876 NQFGMPNMMLIBDY-UHFFFAOYSA-N 426.495 0.755 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccnc3)cc2)C1 763495460 WEEIAASZYWRWTA-AWEZNQCLSA-N 445.501 0.902 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1F 763575593 YKMBDEXBQSZBSD-UHFFFAOYSA-N 444.419 0.849 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 763819319 ZCGHMRJADKASDF-INIZCTEOSA-N 445.501 0.060 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c2ccccc2O1 763853019 ZOWVFXWZXBJALH-YVEFUNNKSA-N 445.403 0.708 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764179038 MZTJWGLOSCCEHW-UHFFFAOYSA-N 438.506 0.802 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 764398095 CSCBKFOSAHRJBV-CYBMUJFWSA-N 441.916 0.229 50 20 ICGD Cc1cc2occ(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2cc1C 765725869 UBRMMCBBCPKSCP-UHFFFAOYSA-N 438.444 0.187 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnn2cccnc12 766662723 CTJSVYMYXALLMW-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)nc21 770989493 HSEFTBMSOHSKAY-LBPRGKRZSA-N 435.448 0.941 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 776616616 ILMVVEFFEOXTSW-UHFFFAOYSA-N 426.520 0.836 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 778499768 KOVFRTZRRQDMRZ-MRXNPFEDSA-N 440.416 0.437 50 20 ICGD O=C(NNc1cc(Cl)ccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784861575 NQWRQHYZNDVSGC-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CCOc1ccccc1[C@](N)(C(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 787995504 JLIBCQQDZBTYIO-KRWDZBQOSA-N 428.367 0.972 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1CCC(O)CC1 792031241 TUQPKUQNKXEXDC-UHFFFAOYSA-N 439.534 0.339 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H](C)O1 792627967 BXYIQNWEGROWBS-JCGVRSQUSA-N 448.442 0.265 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 792847953 BTRWVUDZTZWKOW-OAHLLOKOSA-N 425.507 0.267 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 799260922 FLPFWAJGVWGASF-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 801999362 DGPNZFZWUFDYBJ-SECBINFHSA-N 430.437 0.835 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 802121495 FNZWHKGDGYRCRR-UHFFFAOYSA-N 425.449 0.473 50 20 ICGD CN(NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 805076125 PYGXTTILKQSNDB-UHFFFAOYSA-N 442.542 0.945 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 808065584 AUNHQDBNYPIHGI-UHFFFAOYSA-N 442.475 0.906 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812730958 HFVRQPFCUOLPSB-UHFFFAOYSA-N 426.520 0.992 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 815751870 RUJMQGOPMQMKFZ-UHFFFAOYSA-N 447.452 0.739 50 20 ICGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNc2nc[nH]n2)c1 816632063 RKVYRGBTMCSRKF-UHFFFAOYSA-N 436.235 0.417 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc(C(C)C)nc21 816878624 VWWQQDNOFMPWLA-LLVKDONJSA-N 440.464 0.256 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 817054858 BKOXETXBYKDHCN-HNNXBMFYSA-N 425.492 0.110 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1=O 912848130 BNOJGAHLEAATJP-UHFFFAOYSA-N 438.510 0.160 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2)CC1 916514627 ISAJEXMQKQVIJA-KRWDZBQOSA-N 449.519 0.817 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 916826896 LJVGSZSDYHSEGG-INIZCTEOSA-N 432.458 0.488 50 20 ICGD COc1cc(-c2noc(CCC(=O)NNC(=O)C(=O)NC3CC3)n2)cc(Cl)c1OC 918147380 IKPCZQNKGJQVFG-UHFFFAOYSA-N 437.840 0.766 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1cccnc1 918550714 YJNUPOHRCUEHHF-CQSZACIVSA-N 430.442 0.480 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)N[C@H]1CCS(=O)(=O)C1 919889824 VCJZEZHRSDJTPP-ZDUSSCGKSA-N 446.464 0.933 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 920274609 URAVFTDYWPKEGJ-LLVKDONJSA-N 444.448 0.308 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1779300243 NUOZDGCQPOXXRZ-FXAWDEMLSA-N 426.634 0.304 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C(F)F)n1 1780309803 FAFAXILZBUZZNS-HXUWFJFHSA-N 448.235 0.024 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782636889 VRIJZTKUZAJXBI-GDBMZVCRSA-N 431.262 0.635 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1782639437 CPBSJISKFHSXGV-LRDDRELGSA-N 435.388 0.331 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782867438 UVRDUYLYILWBNW-ZVYZCIRASA-N 429.379 0.790 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783262893 PZHYOQOZLDTRIN-OAHLLOKOSA-N 435.500 0.180 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1783532084 CPDSBIHXWXXXCX-SJKOYZFVSA-N 428.283 0.623 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1783965810 SUIWNWMGTZZUTM-UKJIMTQDSA-N 443.298 0.512 50 20 ICGD COc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ccn1 1784085381 IDMFQHDQGSIFCU-QAETUUGQSA-N 425.913 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CCc2ccccc2[C@H]1O 1784150312 VUALUEJVYDXEDJ-OAUQMPPISA-N 436.936 0.862 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1790574740 LSYQEXCVXPEDHJ-XUXIUFHCSA-N 449.415 0.624 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccccn1 1791716460 CHLNTGCGDCBKSN-DFEOGRTESA-N 431.537 0.538 50 20 ICGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1795074549 MAHRVYRFXGZRDJ-NPDDRXJXSA-N 436.317 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1796440373 VQWYEEHEBGTSID-PHHZKWSHSA-N 444.536 0.052 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(C)s1)C2 1796441026 LNCDJFUOCWHGTD-QQGSHNGGSA-N 444.517 0.789 50 20 ICGD CC(C)Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n(C)n1 1796477440 CYGJGENYLZMCFU-FNLKRUPLSA-N 438.337 0.864 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1797957295 KWXUAONDYNCCJY-FVCICTRLSA-N 435.532 0.923 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798461302 CMLRWEHKGQVIAH-XQLPTFJDSA-N 438.492 0.228 50 20 ICGD CC1=NN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2)C(=O)C1 1798978169 IWZFUTFVWYEDPU-HIRMHNASSA-N 448.907 0.602 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)CCOC1 1800141479 QLQWGGLPIXORGH-UPYQZRRNSA-N 445.944 0.908 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801380648 GVUPTZOMFBDAJL-VZAMPYOESA-N 431.306 0.860 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1804072185 KNLNMYOSJMFPRN-XMSQKQJNSA-N 446.552 0.329 50 20 ICGD Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1F 1805122614 OIUHARACHCEDAA-YWZLYKJASA-N 445.499 0.945 50 20 ICGD Cc1c(C(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)cn2[nH]cnc(=O)c12 1805523495 WJQVPJRSRCQHCF-OAHLLOKOSA-N 435.912 0.776 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807320848 WZMYRSYYGGXCNX-KNQAVFIVSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362204 FRGLEWINBNADRG-DYESRHJHSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363255 CRASPLLFOCDHPM-POEPRGHXSA-N 437.280 0.973 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807374667 IYZOQTYIIMBBMW-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1807697065 YRHXSOCYYJZIRX-LZQZEXGQSA-N 438.488 0.579 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809772673 KGIUCBBJYZTDJI-UHFFFAOYSA-N 440.353 0.493 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1810869154 KXGQPXJJQMBSBE-QUCCMNQESA-N 448.288 1.000 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1812416968 MTEVVTDGUSAVRA-YWZLYKJASA-N 448.487 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1813071789 XIGUZXDADXUUAF-QFBILLFUSA-N 425.493 0.564 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813072026 YNJVKCQIHVABKX-KKSFZXQISA-N 443.508 0.395 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(Cl)Cl 1813075909 KKRUFCGPVSQMIF-GOEBONIOSA-N 436.104 0.885 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1ccc(B(O)O)cc1 1817474572 FDGHFKDPTFNUKO-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1 1821102765 FCNGPUVNEVHLFS-JTQLQIEISA-N 433.494 0.238 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1 1822161657 CPADFNBCUDZSIN-CVEARBPZSA-N 427.465 0.893 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052773 FJIUMEXAACILBJ-FQEVSTJZSA-N 443.353 0.372 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cncn2)CC1 1828926877 UBVVWPNCROIQRR-GOSISDBHSA-N 440.508 0.210 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829877622 HUKUCFWUTANVOJ-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723488 OHJYOXOTKOJKBI-JXFKEZNVSA-N 426.897 0.430 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732931 COCKRJYUGHBEPW-MAUKXSAKSA-N 436.814 0.774 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833145430 CJKHATWFVCJLLT-MRXNPFEDSA-N 431.965 0.083 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)cc3)CC2)CC1)[C@H](O)CCl 1833305999 IQCJCKHHAFGVHM-LJQANCHMSA-N 439.940 0.942 50 20 ICGD C=CCSCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833705058 CBWZCISOBSESCA-UHFFFAOYSA-N 445.394 0.471 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834197679 TZRXPTONVIFWMR-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1835645354 HCOGWFVSASUZIR-OAHLLOKOSA-N 439.340 0.426 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835680308 HGKFTYUXEWNMSG-OALUTQOASA-N 449.379 0.961 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CC3CC3)CC2)CC1 1835736808 IMCYLJNAOCCNPH-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931300 MAHSGMIWJKOFIC-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837374784 JSIMQXGGOJBJJO-DOXZYTNZSA-N 432.949 0.558 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1837456639 LTSFAGUCGSMBJR-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837691182 IMQMQYYFPYUXSX-GUXCAODWSA-N 441.912 0.120 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839142364 NFWYCTNEWKXWRO-QMTHXVAHSA-N 448.797 0.815 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1 1839153259 DMHXSYZDGMKBTP-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD O=C(CCc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840545172 XDHBOBXIPLYBAR-YLJYHZDGSA-N 428.888 0.814 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556581 MNCJGRMPJUMFDB-SOUVJXGZSA-N 433.933 0.719 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1 728719950 IZUNDOVXQVIZHU-UHFFFAOYSA-N 443.478 0.688 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 742479224 XMIUUMAOBHRLGD-ZDUSSCGKSA-N 442.505 0.964 50 20 ICGD O=C(CNC(=O)NCc1ccco1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621092 OMSMRXKSMTUVJT-UHFFFAOYSA-N 437.478 0.243 50 20 ICGD CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 745540685 GUSZYEULQWHISL-OAHLLOKOSA-N 448.501 0.984 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccccc2)s1 746190782 KQNJCHCBIIGVSK-UHFFFAOYSA-N 438.531 0.443 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1OC 750121595 SRFWEBBWZVNXAQ-OAHLLOKOSA-N 433.461 0.657 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 753956255 WLGIBHGQTTZEAX-UHFFFAOYSA-N 446.489 0.109 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)sc1S(N)(=O)=O 754179641 FQHIRUQIXMNYIY-UHFFFAOYSA-N 445.475 0.505 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC 755845705 FEIJTSYDVIBVCM-UHFFFAOYSA-N 428.405 0.116 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1Br 756179238 ZZWIECDFNDFVNZ-OAHLLOKOSA-N 448.295 0.372 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cncc(I)c1 756966218 ZSWKVQRBKFVKLS-UHFFFAOYSA-N 430.227 0.939 50 20 ICGD COCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 758528417 UNIMZNGUQAMETM-UHFFFAOYSA-N 436.328 0.937 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccnc1 763487886 GUPRHWSZCUZGME-UHFFFAOYSA-N 449.489 0.567 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1S(=O)(=O)NC(C)(C)C 763488672 NWJDKFJFZULXER-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 763787100 VWPPZNYYFVTPCP-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 763808416 ATWUFRGGHUOKIV-UHFFFAOYSA-N 435.440 0.816 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1 763820911 MRWWCNXHEZDMKP-UHFFFAOYSA-N 427.461 0.700 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1csc(I)c1 763825411 WMNJIMSUIGOKKS-UHFFFAOYSA-N 430.227 0.939 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1 763937099 WOEPGQHEWHSVFK-UHFFFAOYSA-N 428.829 0.455 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 764295235 KZLSUWLHSRWIPS-GFCCVEGCSA-N 448.505 0.538 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CSc2ccccc2O)=NN1c1ccc(F)cc1 765247324 CBTDYKNXRNNVIF-CQSZACIVSA-N 431.449 0.891 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cs1 767043377 HVAQDQBOQNQXEY-UHFFFAOYSA-N 445.544 0.929 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCc1cn2c(n1)SCC2 767296436 KHNRLNIRPLBYGJ-UHFFFAOYSA-N 437.551 0.777 50 20 ICGD CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)cc1 767745498 KGBAYVZOKGMBKM-UHFFFAOYSA-N 431.518 0.641 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 768354327 HTAKYCIXXJSJQS-UHFFFAOYSA-N 425.511 0.575 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC 768927653 IEWJZKBRHYMUPB-UHFFFAOYSA-N 439.515 0.994 50 20 ICGD CN(NC(=O)c1ccc(-n2ccnc2)nn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202808 XMFKUOBRWQSMRY-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3c[nH]nc3-c3cnn(C)c3)cc2)CC1 780951585 ZJPFZSPHGVZOKP-UHFFFAOYSA-N 444.521 0.503 50 20 ICGD COc1ccc(CC(=O)NNc2ncncc2Cl)cc1S(=O)(=O)N1CCOCC1 781819419 CJVBBWUQSKJWRN-UHFFFAOYSA-N 441.897 0.845 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3nccc4sccc34)cnc2n(C)c1=O 783440450 YPQOPANBXDUFQY-UHFFFAOYSA-N 425.430 0.324 50 20 ICGD CNS(=O)(=O)CCNC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 784657677 IGMUWXCSXUBTFR-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 785227425 RDGZSTUHMKGJTJ-UHFFFAOYSA-N 435.510 0.669 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@]1(O)CCc2ccccc2C1 786392877 QIVFLIPXTMNSQI-DEOSSOPVSA-N 436.512 0.512 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(-c3cccnc3)c2)cc1OC 787965368 FQRFGBPDGJTONG-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)CN1CCCC1=O 789856760 KFFLXHPMVWPYDK-UHFFFAOYSA-N 437.305 0.432 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 792772218 GOGZGQFVRQPLKP-SFHVURJKSA-N 433.461 0.948 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(Cl)cc1C(N)=O 793026240 PDOZYEOZAKQXRS-UHFFFAOYSA-N 448.819 0.618 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)nc1Br 793041241 WKQLYQHDEURULV-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD Cn1nc(SCC(=O)NN=C2CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 794887245 RRWMBNUPKCQVBT-UHFFFAOYSA-N 448.461 0.561 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 796178663 JEIUFRQOWQUOKA-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C(C)C)cn3)CC2)cc1 798980471 QOJAGSWISBPNGE-UHFFFAOYSA-N 448.549 0.540 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 802046407 NCIWQMXGBVTXMM-LXOGICJWSA-N 438.387 0.992 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCC2CC2)c(Br)c1 802722147 QTWSOUNYSGDECV-UHFFFAOYSA-N 426.314 0.755 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1OC 805751898 RTNCSJYUEASFMU-JGVYIQDASA-N 435.506 0.004 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NNC(=O)C(=O)Nc2ccccn2)s1 807565468 MHPMHBYILWEUKS-UWVGGRQHSA-N 434.482 0.428 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2nnc3ccccc3n2)CC1 810413797 JPDRCQSMZUUEMS-UHFFFAOYSA-N 428.478 0.113 50 20 ICGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812445789 ZNMOIRYJZHGARC-HOTGVXAUSA-N 441.550 0.706 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)c2)CCN1 812980299 OQWYUIAAUZICPP-UHFFFAOYSA-N 439.472 0.043 50 20 ICGD Cc1ccc(C)c(NC(=S)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 913423047 BLQLVGHMEBUWGE-CYBMUJFWSA-N 437.547 0.787 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914829583 BFLGXDTUIZAWDR-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 915190562 HGKFENLDHPHVCW-UHFFFAOYSA-N 433.486 0.856 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCOC[C@@H]2CCCO2)cc1 916208968 BKFRRIDWWWFZIP-INIZCTEOSA-N 442.538 0.532 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCCCN2C(=O)C(C)C)cc1 917688922 QJOWJADXMCTDGF-QGZVFWFLSA-N 438.550 0.800 50 20 ICGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)NCC(F)(F)F 920211931 YQQXQYBSGGHBGE-ZETCQYMHSA-N 427.361 0.932 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 1318769157 XGRGXJYVFRJBTA-UHFFFAOYSA-N 436.490 0.452 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115961 RMTKILRBESCDNH-QAPCUYQASA-N 435.974 0.505 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778517868 LVDJHCRZBFLORK-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD CSCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028239 AHJSKOIZJFLKSQ-FQEVSTJZSA-N 435.550 0.518 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779035440 HJAPDWPPOKILDL-HJPURHCSSA-N 437.500 0.932 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CO[Si](C)(C)C)C2)CCC1=O 1779539598 FTFXQSXJIMWPOD-OXQOHEQNSA-N 438.601 0.960 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1780098834 JKGCHKNLRZXZTB-NRFANRHFSA-N 445.428 0.943 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 1781531469 ONOAIWMUTQBADS-NRFANRHFSA-N 446.671 0.916 50 20 ICGD CN1CCC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)C1 1782212320 RRTNZZCJGSAJSO-JBYIUTFZSA-N 437.585 0.215 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1785708593 LJOFMDYWUNBPKI-FZKQIMNGSA-N 431.917 0.473 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C[C@@H]21 1788609741 FNZBGQJVFFIIFH-LZMSHLNBSA-N 443.529 0.154 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)nc3)C[C@@H]21 1791254053 JECVLLXTCFVAQW-MPTYRVRUSA-N 439.896 0.715 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1792872570 OOIXBDKHACKOAY-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD O=C(CCCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793733330 BNEAENZXPOPNCS-XOIINTDNSA-N 428.216 0.302 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)c(=O)[nH]c1C 1794311849 RZTGNDBYDGRKNI-NOHGZBONSA-N 431.262 0.280 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795114558 VTBOIMALCJZICJ-YWVIFJGQSA-N 429.315 0.518 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796890464 OSJOZNZICZYJLP-FQUUOJAGSA-N 436.372 0.834 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c2c1CCC2 1797048907 SXFMRYXYVCMVRU-MCYUEQNJSA-N 425.327 0.895 50 20 ICGD CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798446156 WIZZTYDZABFBIZ-JWBKOJIWSA-N 447.565 0.243 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@](C)(Cl)CCl)CC2)CC1 1799275979 FJQOVSIWQARYDA-RCJHGTSTSA-N 447.407 0.592 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1800638983 FRIRVJRDESSLCV-HDNYOTOHSA-N 425.327 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2 1801011601 VKXUCWRDBIMZFO-USGNIVHTSA-N 440.504 0.206 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802969968 IQJJJVOUISGPSY-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)[nH]1 1803811518 HHJAFELOMFIJAR-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)nn1C 1805596976 NGZHCFWLYXTYPU-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](Cl)COC)CC2)C1 1805959274 BBAFRMUKHWASAJ-LSDHHAIUSA-N 437.990 0.799 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366327 YIQOLPAQSWWHRP-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807369706 SBYPLSMPYQRLAY-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371395 UAMMNWAFCXSANY-UWJYYQICSA-N 439.277 0.034 50 20 ICGD CCc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371397 UDCQWSAHJGGWKC-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374597 ICQDXABKIYDPHP-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD O=C(Cc1cccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807620083 VLLKCPIDCCWZQY-OFNKIYASSA-N 444.300 0.719 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1813034771 XEVQJTFLAILBNQ-ZRGWGRIASA-N 449.895 0.916 50 20 ICGD CN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815347601 GFTHPQQFRABACF-MRXNPFEDSA-N 442.350 0.391 50 20 ICGD Cn1cc(F)cc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817847854 CKCGVTMHGVMQNJ-CQSZACIVSA-N 442.281 0.840 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824445127 JMQNHYBVOOBBTG-WFASDCNBSA-N 430.339 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccn(C)n2)CC1 1827143295 QWKWPSNNTUTOCW-LJQANCHMSA-N 432.569 0.955 50 20 ICGD COCc1oncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310569 NJGGHJBFJVQCDV-INIZCTEOSA-N 428.917 0.606 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834428234 DLXZPPBYECNRRY-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834626907 QWQYDERTLYSHMN-KRWDZBQOSA-N 447.349 0.871 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834774984 KLNXWTPMLFETLG-WVSRPDOZSA-N 437.262 0.253 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834818674 BKHCEQDLGBEZHH-LJQANCHMSA-N 446.386 0.960 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837140804 GHUQSHSAJQNGMV-FZKQIMNGSA-N 442.925 0.374 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837717414 FDPZLWOLLUQKAI-FQEVSTJZSA-N 436.585 0.717 50 20 ICGD O=C(COc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839968149 RYQJYNZDKOIMHF-KXBFYZLASA-N 430.860 0.261 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840029561 JOKLWFQNVRFVML-BMIGLBTASA-N 448.343 0.433 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840155258 VHIPMMXFMZSYLE-WDMOLILDSA-N 431.686 0.387 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841287153 WRIFNHMDNYIGGQ-SNVBAGLBSA-N 445.339 0.686 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1841300691 QBXUHWVJWOXZGD-GHMZBOCLSA-N 438.294 0.766 50 20 ICGD Cn1ncc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1C(F)(F)F 1842161661 PIVPNMPQDGNWPB-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCOC1)C2)NC(=O)NCc1ccccc1 1845039935 WXYRQHQLPHQYOK-LJQANCHMSA-N 443.548 0.963 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847564589 XRGUDBWEUJARNL-IGQOVBAYSA-N 429.901 0.714 50 20 ICGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(C)=O 728269645 SMXFRSKQNZKOPN-UKRRQHHQSA-N 426.495 0.170 50 20 ICGD O=C(NCCNC(=O)c1ccccc1F)NNC(=O)C1CCN(c2ncccn2)CC1 728958965 HQLNWAHKPAKAGB-UHFFFAOYSA-N 429.456 0.593 50 20 ICGD CCOc1cccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 730273470 SKWPBDZYAARBRQ-UHFFFAOYSA-N 437.464 0.633 50 20 ICGD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)c1 730750337 KJSULZLMRSTJDK-AWEZNQCLSA-N 443.485 0.839 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732465828 KFLRYTXBRRHUFI-HTXNQAPBSA-N 431.449 0.954 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H](C)CS(=O)(=O)CC)c2ccccc2c1=O 733660814 VKTYAOJHLQRYBQ-ZDUSSCGKSA-N 437.522 0.964 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccnc(N3CCCCC3)n2)ccc1Cl 739681312 WEIWSAZJQFXHGM-UHFFFAOYSA-N 438.897 0.843 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 742028475 NOQHFCNETNOTLO-LBPRGKRZSA-N 447.926 0.514 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 744620468 FWHINVTZEJXGFY-UHFFFAOYSA-N 445.501 0.994 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc(-c3ccco3)nc12 748275735 FIJKGHDRZRMFLE-MRXNPFEDSA-N 432.396 0.853 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 751202038 OWDDBTYQXKCYEX-NSHDSACASA-N 449.261 0.972 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)N[C@@H](C)C1CC1 751619387 UJENIDFAWBOXPL-LBPRGKRZSA-N 442.563 0.624 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1=O 752007784 WGQMWWFBBKLYKF-ZMZPIMSZSA-N 425.392 0.953 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@H](C)O1 756840234 UVTFJUCRUCVDRO-KBPBESRZSA-N 448.455 0.890 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 758029436 LAOUJNVTQVYNOW-SECBINFHSA-N 443.482 0.162 50 20 ICGD Cc1cccc([C@@H](CC(=O)N2CCN(S(=O)(=O)CBr)CC2)NC(N)=O)c1 758512603 OAXCNJQIFBXFMW-CQSZACIVSA-N 447.355 0.921 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2ccnn2)cc1 760402899 GGOCEFZVMKMYDK-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)n1 763944061 LBUMSWBDRSKPFO-UHFFFAOYSA-N 436.432 0.801 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)cc2C1 763948360 JLMNVZNDMMNJDN-LLVKDONJSA-N 444.517 0.748 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 764085008 XAAFKUACTLXOIM-XJKSGUPXSA-N 432.477 0.986 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1C 764167803 MLWINKQUBDEINA-INIZCTEOSA-N 432.458 0.040 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764185663 QTJDCJBHJYICJK-UHFFFAOYSA-N 430.486 0.846 50 20 ICGD CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1Cl 764197719 GPTWVQUBZMLQPO-UHFFFAOYSA-N 439.900 0.680 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)cc1-n1nnnc1C 764252467 GGPADRIBSLAFTG-UHFFFAOYSA-N 446.427 0.927 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764267781 KDKOKTRCOPFQMU-UHFFFAOYSA-N 433.490 0.439 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)n1 764294765 BAPZMHCGIOYNOX-UHFFFAOYSA-N 425.405 0.480 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCCCC2 764435856 XYIFBZSLAJHION-NSHDSACASA-N 425.463 0.305 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)n[nH]1 765602353 NFNVIOQIJFUMKM-UHFFFAOYSA-N 429.458 0.736 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc2ccc(Cl)cc12 765731960 TXPYBIKYRRNOTR-UHFFFAOYSA-N 444.835 0.603 50 20 ICGD CCN(CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 766655484 WNIMRHJVGKVFMQ-UHFFFAOYSA-N 447.536 0.849 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 768073039 TZCGIPWZRAOHMG-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 770973840 IMNZVFBHDRAFMC-NSHDSACASA-N 437.507 0.817 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCN1c1nccn2cnnc12 771217082 RCEANGAGYSHDCQ-OAHLLOKOSA-N 446.475 0.875 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c([N+](=O)[O-])n1 772568295 JTOFNXLIPZYJHT-UHFFFAOYSA-N 449.449 0.725 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 773727334 WSNRJWKNNNMUMK-BETUJISGSA-N 428.449 0.816 50 20 ICGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 777938701 CSYZNAFTRFHDNJ-UHFFFAOYSA-N 427.479 0.725 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@H](C)O)cc1 779497756 CKTNPWLYBHXPLN-XHDPSFHLSA-N 426.882 0.532 50 20 ICGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783833317 WKFDQWDHFNYNSI-IAGOWNOFSA-N 438.506 0.886 50 20 ICGD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002447 GIIOKDPFWLZEOV-UHFFFAOYSA-N 437.456 0.956 50 20 ICGD Cc1ncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 784230677 PRGXUQMTXRXIMP-UHFFFAOYSA-N 438.535 0.469 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 785700864 UGIHEJBJMRVMIP-UHFFFAOYSA-N 438.531 0.695 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 792736717 PVOUMRLDQRBZDC-HNNXBMFYSA-N 437.504 0.955 50 20 ICGD CN(C)N(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 792847420 AFVJVUYGHMHRRD-GFCCVEGCSA-N 427.527 0.809 50 20 ICGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 795311193 GLUQSDRDMPOFCZ-UHFFFAOYSA-N 441.487 0.673 50 20 ICGD CN(C)c1c(C=NNC(=O)COc2ccc(Br)cc2)c(=O)n(C)c(=O)n1C 807949287 GFXHYZZRRJFNLY-UHFFFAOYSA-N 438.282 0.442 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)cc1 810386760 PXNXEVUNIBFOTB-UHFFFAOYSA-N 431.355 0.701 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1C 810944442 TUHHJSWKAJGEFE-UHFFFAOYSA-N 442.538 0.871 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)NNC(=O)c1ccccc1 818683090 TXXSIDKBPKPVNJ-UHFFFAOYSA-N 440.865 0.408 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 913445977 DTNHLIPLLAFJAU-UHFFFAOYSA-N 435.458 0.403 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)NC1CCCCC1 913449181 GYZCJUKYLOVTSU-UHFFFAOYSA-N 430.552 0.975 50 20 ICGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2S1(=O)=O 919582092 GNTJADRDOIACFN-UHFFFAOYSA-N 431.426 0.469 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)C2=O 920094216 ABHZPMHQFPSTSJ-LBPRGKRZSA-N 433.424 0.688 50 20 ICGD O=C(NCc1cnn(CC(F)(F)F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 1116286821 RVIPSBLQEWZHMD-UHFFFAOYSA-N 426.403 0.982 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777860687 UOVSFFLWHCECID-XMMPIXPASA-N 445.284 0.672 50 20 ICGD CC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091510 IRDRGWXWJHOXJC-FKQCHLMGSA-N 433.509 0.405 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1779125565 CKYQEPFHCYQPRW-PXAZEXFGSA-N 443.298 0.326 50 20 ICGD O=C(C1=C2c3ccccc3C(=O)N2CC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780005096 JYQRXSQXJJTKFI-HTAPYJJXSA-N 445.903 0.687 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335263 WZUOLRMQFJEFMQ-ZFWWWQNUSA-N 433.234 0.081 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784911924 IDUBPHUDKDGMJJ-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785223420 PSSLABOLHRBFFV-IERDGZPVSA-N 447.875 0.159 50 20 ICGD CC(C)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCC1 1786986461 CUIOJQXFXVSUIT-IHPCNDPISA-N 428.338 0.786 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C[C@@H]21 1791257439 GPOCGBJELXLSGX-PCCRXHMLSA-N 442.940 0.975 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)[C@H](O)CCl 1792980749 VNZSJDFCRFYGLO-ANGCBRKESA-N 437.840 0.274 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793392338 QQNZKRGWEMFHFO-VPTYIUOZSA-N 433.509 0.117 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1 1795907914 UWAIWFAVJDMZJL-DPEPCVEMSA-N 444.536 0.481 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2 1796443864 OXQUGRSFUUCHPW-ATCDAQPXSA-N 443.529 0.585 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)c1C(F)(F)F 1796606009 BYWRFBBANWPNJV-USZNOCQGSA-N 438.834 0.896 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)C)C2 1796892081 FIBNJTGMNFUEMP-BDHJUDLHSA-N 430.509 0.531 50 20 ICGD C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797919265 CLTVQFQHIBGQLD-JLVBRIDZSA-N 429.521 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccsc2[nH]1 1799941012 DJJDLTPMCXAMHI-ZSBFGKGUSA-N 433.534 0.806 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1C(F)F 1801011896 RCFGGTGYQZGWMN-FVCICTRLSA-N 442.467 0.163 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)C1 1802233875 RWIRKIAWKFMWLT-XLWJZTARSA-N 449.907 0.746 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1802441630 OMSBRAJRTPMSPY-BQFCYCMXSA-N 426.970 0.736 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1 1802928775 ONHPPCBWMWQVOA-JONQDZQNSA-N 425.493 0.703 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364654 JOQWXMGQHWLWSB-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369875 XOAYRZXAERURAO-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1 1810302961 NYUFDHKXNGDPIJ-OXJNMPFZSA-N 448.487 0.296 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1812477044 UCTPSMFEZQICMQ-IKICRFKJSA-N 426.452 0.758 50 20 ICGD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341531 ZCAKJTSLUAJVIS-LBPRGKRZSA-N 443.319 0.522 50 20 ICGD CN1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815360875 PYYLLBJSAJDMGY-HOCLYGCPSA-N 442.350 0.391 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472062 FRVGHCDFXDCITG-GOSISDBHSA-N 449.276 0.408 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CC(O)C2)[nH]n1 1819401762 RGEZSFGFLQYJOC-ZEPSKSRBSA-N 427.465 0.485 50 20 ICGD O=C(COC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1819606756 UBELXKYWYJCOLK-XPUUQOCRSA-N 429.804 0.760 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1820160289 ILCXYGBCJJJBCA-JTQLQIEISA-N 439.570 0.458 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1ccc(F)nc1 1820365967 BRWZMDGLBYQKLW-CQSZACIVSA-N 440.265 0.897 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(=O)C2CC2)CC1 1824120875 APOAWDZVUIPKRP-SFHVURJKSA-N 427.505 0.898 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1 1825642366 QNQOLBBRIOSOAL-PEXQALLHSA-N 447.355 0.990 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080669 BREUFSCSZAABTL-OLZOCXBDSA-N 438.554 0.343 50 20 ICGD COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085436 TYJJQGNSEQXVKG-LBPRGKRZSA-N 427.527 0.091 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1826098467 CHCYEWXUBUZIFB-RXMQYKEDSA-N 443.276 0.299 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049553 VYJZQTCWPOKHEF-HXUWFJFHSA-N 443.353 0.514 50 20 ICGD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cc1O 1827050237 JVFXPGGOTKOHSW-LJQANCHMSA-N 440.309 0.353 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720097 STKLEHNNTJEGNG-FXAWDEMLSA-N 441.311 0.748 50 20 ICGD Cc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830724674 ALXPABFZMKVXFG-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD O=C(c1ccnc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831905023 OPBDFCYELNBYMS-CZUORRHYSA-N 434.237 0.981 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)on1 1832571119 CCRJTROGKQQZHD-GDBMZVCRSA-N 434.262 0.672 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832813967 MDERCIMTZSEUDU-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c1F 1833667034 HFABYDMCORMXII-APPDUMDISA-N 447.305 0.958 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1834822967 BFHLCJUDICFMRM-DRMAHVMPSA-N 444.370 0.568 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835843817 XZWYIBRRJBIHRQ-QGZVFWFLSA-N 428.587 0.647 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028945 REGRKKWZPCWHPI-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1)[C@H](F)Br 1836412520 KXSIBMGGUQPBMU-KRWDZBQOSA-N 449.365 0.581 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837330372 MEMRROLVVBVTDM-DOTOQJQBSA-N 434.921 0.942 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837814986 KILOXCCXDGLDCH-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837958327 QGCLWSLPYGRFMP-BEFAXECRSA-N 427.885 0.414 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839144910 OEBMMWHCBXKOEL-HNAYVOBHSA-N 428.917 0.617 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839952422 FEGLQTKLGJOHHJ-OXJNMPFZSA-N 426.897 0.294 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839965526 AYNYHNTZJJTFCA-GJYPPUQNSA-N 446.386 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840154574 ZQTGRUHHQRFHSM-LIRRHRJNSA-N 441.868 0.134 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155443 CAJRVXINJXRTGG-SQGPQFPESA-N 433.977 0.675 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1C 1840183774 ZDLQOCFPVBJUME-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188284 AOPVMMFUZGVADT-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nn1 1840189058 TVMNDIRZOMWNMI-QGZVFWFLSA-N 434.324 0.907 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189126 YOEMGYXIRBABQF-ZDUSSCGKSA-N 446.213 0.697 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609491 KEDLXTQLCVZFAG-FQRJBHLQSA-N 431.327 0.509 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C1)CC2 1843012115 FKHYVCAJBXCKCG-IBGZPJMESA-N 448.328 0.997 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1844691828 GFBWMHQSHFAKEU-AWEZNQCLSA-N 425.825 0.937 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217350 TYCNUZHQBBBFKS-WDEREUQCSA-N 438.294 0.766 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1 10794887 DGRHGPSTARWFGW-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 15529097 XJFHJYPVPAEORO-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)NC(C)C 726613146 CCMPNILGNIHEJM-CQSZACIVSA-N 430.552 0.067 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 729276213 ZJYHHIKZRAFZIG-CYBMUJFWSA-N 428.474 0.633 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN=Cc1ncc[nH]1)c(=O)n2Cc1ccccc1 731150825 IHRQJFADDLJVAG-UHFFFAOYSA-N 448.487 0.937 50 20 ICGD O=C(NNC(=O)c1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915148 WSOWANQRCJNNFR-QGZVFWFLSA-N 425.493 0.926 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732991515 FYJKRZUFVBTTQC-UHFFFAOYSA-N 444.464 0.851 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 733163312 JDCGBNMGOQBYMZ-HNDQUVLASA-N 438.488 0.934 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 733886015 COMCLNJAHNXLKE-AWEZNQCLSA-N 445.501 0.214 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 736694919 MKIHBHKRSSOHFT-UHFFFAOYSA-N 449.475 0.436 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1 742070518 UYNNHFMGFOHBIL-UHFFFAOYSA-N 435.458 0.094 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)cc1 744567222 HFEOKKPVZBOZAA-UHFFFAOYSA-N 449.217 0.648 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)Nc3ccc(C)c(C)c3)C2=O)n(C)n1 745905091 HLKQAEKWYMIRNY-HNNXBMFYSA-N 427.465 0.420 50 20 ICGD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 748968557 LQAARPGLFSBTPU-UHFFFAOYSA-N 425.850 0.747 50 20 ICGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 753039377 RSDBYOPKXLQVEA-UHFFFAOYSA-N 437.566 0.354 50 20 ICGD CCc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cnc2c1c(=O)n(C)c(=O)n2C 753907837 OVKQVMMCUISANM-UHFFFAOYSA-N 448.439 0.924 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnccn3)cc2)C[C@@H](C)O1 755420820 DTHRULWQWSNZIO-CHWSQXEVSA-N 434.478 0.741 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 756363677 QKTVAERODBPYFO-UHFFFAOYSA-N 433.446 0.848 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 756657705 FNVCMBCOYFERQN-UHFFFAOYSA-N 432.506 0.995 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)NC1CC1 763555530 HSBQQMPQOHVYDN-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)cc1 763659193 LAFYQPQHUHRIBK-UHFFFAOYSA-N 442.472 0.692 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 763681358 KFANIBSCSVFIET-UHFFFAOYSA-N 449.485 0.962 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763919846 ZFVBRXRNUNYWMJ-UHFFFAOYSA-N 444.419 0.447 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 763931134 CWCPHJHWWSDKEC-INIZCTEOSA-N 431.832 0.997 50 20 ICGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2O1 764086420 TUCLFUFUMJGDLX-UHFFFAOYSA-N 433.442 0.997 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CCc1ccccc1 764193157 QZPUQDPPBOAMAE-UHFFFAOYSA-N 448.501 0.664 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 764319105 JZNYNOMREGUPBL-UHFFFAOYSA-N 440.428 0.544 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 764387524 VIFKWWOFINTPGA-UHFFFAOYSA-N 445.501 0.847 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 764433399 MZMXTTXHYXFSJN-QGZVFWFLSA-N 444.419 0.257 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736821 BEFFCPBBNWDOAH-UHFFFAOYSA-N 447.495 0.719 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1C(N)=O 767849647 IKZVBCLIXNVTEG-UHFFFAOYSA-N 440.341 0.082 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)nc2c1c(=O)n(C)c(=O)n2C 768261854 XMHXVYGXRXMFAI-UHFFFAOYSA-N 439.457 0.467 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 768273950 LDQHVXTYYLTWMX-HNNXBMFYSA-N 436.450 0.631 50 20 ICGD CC(=O)Nc1ccccc1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 770000888 LAXOEGWJZARDOJ-UHFFFAOYSA-N 446.533 0.662 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 771968771 XHVQDBXQEQNYSJ-LBPRGKRZSA-N 430.483 0.181 50 20 ICGD NC(=O)c1cc(OC2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccn1 772334664 XEHFGMKKRATOEL-UHFFFAOYSA-N 442.432 0.393 50 20 ICGD CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775457524 IWKDELKWPNHUTA-WBVHZDCISA-N 440.522 0.467 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2nn[nH]c2cc1F 781953911 DWEPNJYXTMEFPH-UHFFFAOYSA-N 425.424 0.316 50 20 ICGD COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)c1 792020080 DDNHRIYABDTWDZ-MRXNPFEDSA-N 431.474 0.943 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794515810 NFJKZKPCXLTLGA-UHFFFAOYSA-N 434.261 0.925 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3oc(O)nc3c2)CC1 806873145 TVJGYZKEKJIEFA-UHFFFAOYSA-N 432.462 0.621 50 20 ICGD NC(=O)c1ccccc1NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 809544853 CLCVOSOFMBXGDI-UHFFFAOYSA-N 445.501 0.443 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 812979891 FWTRUVODCAFWCV-IBGZPJMESA-N 437.500 0.898 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 814600547 NVSNZEIVNPZOSS-OAHLLOKOSA-N 447.459 0.551 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 815571023 RWZGYHBGXDKHPX-UHFFFAOYSA-N 439.432 0.613 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691835 CCSJZMXJUULWKS-LLVKDONJSA-N 448.505 0.988 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNc3cnnn3C)CC2=O)cc1 816770157 LZPMRGUUZZIJGS-CYBMUJFWSA-N 435.510 0.342 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CSc1nnnn1CC(F)(F)F 817053247 JVDFAGCBFVGFIM-UHFFFAOYSA-N 439.445 0.721 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2ccc(S(C)(=O)=O)cc2)c2ccccc2c1=O 916568127 CEAPWOBKBWVAFM-UHFFFAOYSA-N 443.485 0.964 50 20 ICGD O=C(NNC(=O)c1ccc(Br)cc1-n1cncn1)N[C@@H]1CCS(=O)(=O)C1 1116389237 UCMQGYUZQXVFCK-SNVBAGLBSA-N 443.283 0.161 50 20 ICGD O=C(c1cn2ncccc2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777953299 NFKLMOSKFMKJSP-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778521671 WOEXJZGBUCVJCB-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1779031287 QMMJIDDXDCBEND-JOCHJYFZSA-N 439.472 0.208 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781227684 PBFVJCZREIZSJH-IRXDYDNUSA-N 443.291 0.097 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783343068 LPEQZHQOSYHZQB-WWGRRREGSA-N 439.372 0.671 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933397 XETRQBDOBPSFFQ-HSZRJFAPSA-N 446.548 0.967 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1783940170 VCUZEURRULHUIB-QHCPKHFHSA-N 428.533 0.604 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1783969251 JWAVMRWBOJGPHW-UHXUPSOCSA-N 429.315 0.750 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744264 BSLRXPNREGHUSK-DOMZBBRYSA-N 425.345 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3Cl)[C@H]2C1 1788861757 GSMIPLAMTDSOCL-QRTARXTBSA-N 437.928 0.701 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc(Cl)s1 1789001835 NVOVVVOGOGGPCM-QEJZJMRPSA-N 449.725 0.383 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796364055 CWQWQHNARDYGBX-FONWIUJUSA-N 447.891 0.689 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1796446437 WWPJNYVHSKBPQI-MVWNIOMWSA-N 439.875 0.635 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccccc1=O)C2 1796892071 DLLWFHONHNAQLI-GSWMANSFSA-N 438.488 0.621 50 20 ICGD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nc1 1798440853 ZZRLYRHMXLHFKM-QDMKHBRRSA-N 437.504 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1798442077 VMQRCBJNYZRLOP-BSTOTGJRSA-N 428.262 0.627 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802125284 RYZQZENMRQFPPK-QRJUGERDSA-N 443.928 0.092 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802213422 BGIYQONDZGDJOJ-VLBMKZOESA-N 428.480 0.695 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2 1802846858 IHCOMFZKHHTPJS-WXMODFLSSA-N 440.342 0.879 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)[nH]1 1803813160 NTGIABPQYQMDRT-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)CC1 1806629287 RLASFCXMBBBWCN-UHFFFAOYSA-N 434.541 0.199 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806776681 LGLLBTFXTJUGQF-PXNSSMCTSA-N 425.294 0.242 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CSC(=N)N)[C@H]1c1cccnc1 1807009156 QDGUFIBQERPFGM-KBXCAEBGSA-N 435.554 0.087 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967324 DCELVDPGTZLUBQ-HJWRWDBZSA-N 439.321 0.070 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1[C@@H]2C=CS[C@@H]12 1812383071 MPFJWFOVDJNAPI-AYZHRIAMSA-N 449.341 0.956 50 20 ICGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1814574185 CZCMKGMNGHHRRN-OCCSQVGLSA-N 429.974 0.292 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814854986 YYQIUXGBBHOYMN-MMPTUQATSA-N 445.549 0.741 50 20 ICGD Cc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815340971 RHOAONRHNCQHCB-CQSZACIVSA-N 437.290 0.461 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474591 BWWXPFCPXQFPMI-FUHWJXTLSA-N 441.297 0.310 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476534 WGNPVASZVDDLRH-GUYCJALGSA-N 439.281 0.086 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1 1818113740 VRQMZYFFBCABAL-DXRSZSRVSA-N 445.480 0.545 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1823833517 BMJXPYFBZHHBNQ-QUCCMNQESA-N 441.337 0.126 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCBr)CC2)N1 1825072921 XZUUHZWVQBADHG-KGLIPLIRSA-N 443.342 0.989 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826008802 HQCZMOPDVWQNGL-VHSXEESVSA-N 426.882 0.234 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364407 IZZBPGUPHKOBDR-DNVCBOLYSA-N 427.933 0.636 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1830542692 BWHNPHWRMQHMDA-MDZRGWNJSA-N 446.386 0.816 50 20 ICGD C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)C(=O)O 1830545119 DXBVPYHMYZLKEU-YPGXOENKSA-N 433.299 0.505 50 20 ICGD CO[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830726111 UWKZBQJVFLALHP-MBOZVWFJSA-N 426.897 0.430 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831653916 GOOGQTSUYABHQF-WFXMLNOXSA-N 445.004 0.486 50 20 ICGD CC(=O)N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(C)(C)C 1833399736 DNGDFYAHYIBKJD-ROUUACIJSA-N 445.004 0.709 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833691527 XAJNDJPFGOHBGK-MRXNPFEDSA-N 441.960 0.420 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834030865 DESQXLTXWAIMNQ-YOEHRIQHSA-N 427.299 0.720 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448852 KDHOBVYZPOSANU-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cs1 1834822392 KREZLSNCQBJPAG-OAHLLOKOSA-N 433.328 0.580 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834822608 XTMDEEQWLITRRU-QGZVFWFLSA-N 429.315 0.204 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835083998 FJJAKOWQIPMBCX-OAHLLOKOSA-N 426.880 0.295 50 20 ICGD O=C(CCC1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935388 QEODMBUWUKLJJC-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836411880 BQZUEXNSWTWLPM-AUUYWEPGSA-N 439.852 0.604 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837833517 APSUDKFKBNDVGJ-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(O)c1 1838887417 BUVQMKOVZHLGJP-QFBILLFUSA-N 428.869 0.071 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518171 ILMQNILKZUUPOZ-KXBFYZLASA-N 426.901 0.753 50 20 ICGD C/C=C/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839834929 MDEWQXAVGXQFQW-LUSHPLEGSA-N 443.504 0.709 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839964027 CYRWNJCIBHBGTA-KSSFIOAISA-N 448.358 0.389 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385926 ZGCTZLMGFIVQIZ-LPHOPBHVSA-N 428.917 0.374 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nc3ccccn3n2)C1 1843230113 XTQMCOXFLMMFQM-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1 1846386544 YOFIQQXVDPEADJ-UHFFFAOYSA-N 429.521 0.301 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNC(=O)C(=O)NC3CC3)c2c1 9889775 SKILXIIGMSCWTD-UHFFFAOYSA-N 449.489 0.011 50 20 ICGD CCOCCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 110883100 UHDRPHUMVSPPCB-UHFFFAOYSA-N 442.476 0.002 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(Cl)c2)C1 726185727 WWYPLNUNLIKWRT-OAHLLOKOSA-N 438.912 0.835 50 20 ICGD O=C(CCCCN1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 726869707 UHICOINBGJQXBE-UHFFFAOYSA-N 438.550 0.735 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c(O)c1 727164153 JEXOHMMKLJPELG-UHFFFAOYSA-N 435.238 0.368 50 20 ICGD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274824 FCBWFFNUGVYTAF-JTQLQIEISA-N 431.877 0.731 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 729622788 ASDSYDAOZRTWLZ-OCCSQVGLSA-N 426.543 0.341 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCS(=O)(=O)C1 731116536 AXMDXXHZPSUSLE-XLIONFOSSA-N 437.566 0.265 50 20 ICGD COc1cc(C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)ccc1OC(C)C 731761917 NYSJXGPAGUTHCF-UHFFFAOYSA-N 435.525 0.979 50 20 ICGD CCn1c(NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2ccccc2c1=O 732056294 QNNWGQRPVOSTMA-SFHVURJKSA-N 442.520 0.573 50 20 ICGD CN(C)N(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 733371056 SIHPZXQQKUBJSN-KRWDZBQOSA-N 443.591 0.896 50 20 ICGD COc1ccc([C@@H]2[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CCC(=O)N2C)cc1 734428500 SABTVLQASJSLCS-YSVLISHTSA-N 438.506 0.122 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)CCOc1ccccc1)N1C(=O)c2ccccc2C1=O 746185721 PMNMYXKFCQFIAX-KRWDZBQOSA-N 438.440 0.533 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 748464737 JKQUHRUBTFEVIZ-UHFFFAOYSA-N 439.520 0.831 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 750446652 MDLWRPOPVOTHSQ-MRXNPFEDSA-N 426.495 0.077 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)Cn1nc(C)cc1C 755613562 PUWVOHXAFSXQMS-UHFFFAOYSA-N 436.494 0.802 50 20 ICGD CC(C)CCc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756258912 KNLAHMOHHFJDJU-UHFFFAOYSA-N 441.492 0.875 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 758025403 KZYLNFJNQGQVNA-CYBMUJFWSA-N 439.515 0.359 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 763685353 UAGYWPIZVQLVKJ-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD CS(=O)(=O)c1ccc(OCCCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763820627 OFDQNNBQOYVZES-UHFFFAOYSA-N 434.474 0.222 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)c(O)c1 764109644 AMWUOYHCBNMUEI-UHFFFAOYSA-N 436.428 0.693 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764169320 VBGBMDOOXYVYGE-SJKOYZFVSA-N 426.429 0.750 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 764226086 FOFPXFQWKYIBLF-JTQLQIEISA-N 446.913 0.685 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Br)ccc1-n1cccn1 764431432 CVGCCZCMCIUPFZ-CYBMUJFWSA-N 438.238 0.136 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCO1 764584775 GDGCNCWJIJZBHT-AWEZNQCLSA-N 427.527 0.927 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)s1 764816471 JQUXFKPNMVANEC-UHFFFAOYSA-N 439.295 0.798 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNC(=O)c2cc(Br)ccc2O)n1 765255348 LGAXNHLSIBAZEZ-UHFFFAOYSA-N 434.228 0.549 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768519179 JNRPBTUOZAOTJH-LBPRGKRZSA-N 427.383 0.415 50 20 ICGD O=C(NCc1nnnn1CC1CC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 771382332 YGPOFMFSVGMNAO-UHFFFAOYSA-N 448.509 0.012 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 771443959 WOFKEZYJNXIGIX-GCJKJVERSA-N 431.537 0.867 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772196027 XATXAXWBXAJNEN-MPBGBICISA-N 449.895 0.604 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 772883510 BSNWAYZLLDGDMT-OAQYLSRUSA-N 430.892 0.741 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nccc(OC)n1 773724562 SBNKNNVINQLLSA-UHFFFAOYSA-N 438.466 0.216 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 776611348 YQTQFNSBPAAECR-UHFFFAOYSA-N 426.520 0.966 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCS(=O)(=O)C1 783426812 OGJQTBSTMKNQAV-LIRRHRJNSA-N 425.507 0.771 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(CSC2CCOCC2)c1 783999361 MRKMVVCEUQBCAC-UHFFFAOYSA-N 434.518 0.807 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2nnn(C)n2)cc1 787854228 PSUMELIRUJRQNF-ZROIWOOFSA-N 435.448 0.181 50 20 ICGD CCn1cccc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1=O 789298227 KLYDTDWWUCKAOX-UHFFFAOYSA-N 435.506 0.328 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 792393914 HYBSNDPQNDCUAM-UHFFFAOYSA-N 439.501 0.929 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2cc1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 792516947 RQPHPWZHKVHEPY-AWEZNQCLSA-N 444.469 0.472 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1OCCCC(=O)O 793446894 JKWQXLURVSBADZ-CYBMUJFWSA-N 437.478 0.402 50 20 ICGD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 797005134 PYKMIJMGQSPKPA-JTQLQIEISA-N 442.881 0.932 50 20 ICGD CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C 798119348 VXVAAIRCSSAFHP-HMMYKYKNSA-N 441.532 0.952 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 801797504 IPFNYKPDCQKJND-UHFFFAOYSA-N 425.398 0.641 50 20 ICGD CCn1c(SCC(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)nc2ccccc21 807976848 VCLBTKLTCYHRBP-UHFFFAOYSA-N 443.533 0.762 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810408258 AWQYRKMVHANEIG-UHFFFAOYSA-N 441.400 0.030 50 20 ICGD Cn1cnc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)n1 815568648 PEUXALWVSDLVRV-SFHVURJKSA-N 433.472 0.528 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815690950 AQUCPKXFFOGJME-INIZCTEOSA-N 433.472 0.921 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 815692676 YBQKYMBLXOXYTR-TZMCWYRMSA-N 446.439 0.324 50 20 ICGD O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CC[C@@H](B(O)O)C1 864232630 ASTRPFLWIPCGMW-CQSZACIVSA-N 432.263 0.948 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(N2CCOCC2)n1 874071945 PADFFMHETJTTRA-UHFFFAOYSA-N 435.828 0.986 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1nn(-c2ccccc2)cc1O 913471269 NRCGDRCDDHGFBB-UHFFFAOYSA-N 447.459 0.693 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 915774094 HAFWXQFNZMBOIT-UHFFFAOYSA-N 449.485 0.661 50 20 ICGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916306118 MAFOQATWIMVSAB-UHFFFAOYSA-N 438.531 0.999 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 920884952 VGUNIRZROZTZFW-HNNXBMFYSA-N 427.527 0.705 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778261060 GQWBLDPBHMJZHZ-IIBYNOLFSA-N 441.492 0.158 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1779032523 RFMRFKSBXCIPPL-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)Nc1cccnc1)C2 1782175751 QTANNMCCUMBLNP-JXXFODFXSA-N 438.912 0.788 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CO)o1)C2 1782212129 JEBAXOVFKLMOOJ-DYESRHJHSA-N 436.509 0.272 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)n1cnnn1 1782605067 WDEFDVUPTFIZRF-RTWAVKEYSA-N 433.282 0.439 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785807 UERCIRJGHUZQCH-AUUYWEPGSA-N 440.884 0.994 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784084010 JWLXNRXUQXGKRB-XEIOYGOASA-N 426.897 0.308 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1 1784093488 XLOLHPHBDHLJHV-HNKHHVNMSA-N 445.944 0.433 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784108917 PHROUJXSRHXPRK-WMZHIEFXSA-N 428.533 0.919 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccs1 1784379533 VNDIHHHQBZFVAJ-VFNWGFHPSA-N 428.319 0.675 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CBr)C[C@@H]32)no1 1785270541 LAPGGMHFKLMLHA-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1)c1cc2n(n1)CCNC2=O 1786130058 UVWAQTLMAXMKOU-INIZCTEOSA-N 431.880 0.974 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786787534 XGJQQMDKNWVOGF-DTPILHQWSA-N 448.476 0.708 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984756 FVEUYPFHLYTSOK-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)n1 1787638111 UCRORFIZIHSKPI-HOSILWTGSA-N 443.342 0.906 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788511921 ONOIJOYWIGANPM-NMCQGECBSA-N 432.334 0.997 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789182058 CJBKRILFZYLXRS-MHEUCROKSA-N 425.869 0.657 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1792868866 TVIKJYBMVCEMPF-QEGBUVANSA-N 431.249 0.920 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)C1 1793117407 JRAWMKKBLAPPJX-YIDVYQOGSA-N 445.944 0.860 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794266353 YIGNOQODKPTWMK-FMSGJZPZSA-N 439.310 0.415 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CNC2=O 1798219669 HEHCOUZMRPOICU-MUJYYYPQSA-N 448.483 0.494 50 20 ICGD Cc1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cs1 1798440640 GCUYBKPONFUADR-YOWGUQMCSA-N 428.518 0.945 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800207393 PSYUSLRVJXWHRB-VODVUFLWSA-N 433.292 0.387 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC 1800962486 ULADJSWMHSFASO-FQMQPWHVSA-N 428.913 0.585 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)OC(C)(C)C 1801958105 KFWRYUSPZPZUES-HLPPOEQASA-N 433.933 0.745 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803827881 QMIKQHDWPBKAJH-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCO1 1807754589 YHGWVIMXGFOTGA-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnn1 1813074023 NVUOYSKMQNAUED-WRWLIDTKSA-N 442.524 0.313 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCC3)[nH]n1)c1ccc(B(O)O)cc1 1817471998 ATPOFIUTWWQAAZ-IBGZPJMESA-N 448.292 0.852 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)no1 1819464808 JDAMSMQHMQIVLQ-KBPBESRZSA-N 438.872 0.728 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792979 FQVYEPKHHMTBJH-RYUDHWBXSA-N 442.501 0.406 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1820165664 LMLJAQCBPGPKBG-PXAZEXFGSA-N 442.614 0.557 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1827137739 FSGMOEIVGOIHGD-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830534540 BFTNPLYBISVYTH-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830725540 JGYSDSXUIWIMIL-UWJYYQICSA-N 440.924 0.738 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831181338 CBSWWCURUYTEMT-DYVFJYSZSA-N 434.331 0.143 50 20 ICGD CNc1nsnc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833070070 PMQQACPSSVRNAJ-CYBMUJFWSA-N 430.962 0.365 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845437 PYQUKLDCBAKUAI-LRDDRELGSA-N 430.303 0.059 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cn1 1834530255 BVYOPORXOBGECN-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835240148 NRAHKZVHYPEIQM-RHSMWYFYSA-N 437.331 0.137 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)CC1 1835736976 DMEWGVBWZOTXOD-AEFFLSMTSA-N 432.500 0.228 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1836995221 FWNYAVNSWAKAGU-GOSISDBHSA-N 429.876 0.835 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837709050 UFHHHIWTNYWARB-FQEVSTJZSA-N 438.601 0.579 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837713164 KTRHRWHOCSGMNJ-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839155207 OCYKMUYUUYDLIT-JEBQAFNWSA-N 436.336 0.205 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839962641 MMBKTAOPVRDBKV-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839962682 OIVYHJWUDZAAKJ-SJCJKPOMSA-N 443.298 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970117 FSTRFAUMYXKGPB-YWZLYKJASA-N 444.887 0.915 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCOc2ccc(F)cc2)C1 1841193672 CSKMZCBHXOWHMN-UHFFFAOYSA-N 426.253 0.792 50 20 ICGD O=C(C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)cc1 1841332323 ZREZWWIOTATSQY-UHFFFAOYSA-N 426.665 0.720 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263222 GWMNNVHBRJTCTC-ZDUSSCGKSA-N 446.508 0.415 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2)NC(=O)NCc1ccccc1 1845038704 JWQSOTVNLIMNJB-UHFFFAOYSA-N 439.520 0.433 50 20 ICGD O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 23105380 KWOBOPPRACGTIH-UHFFFAOYSA-N 449.445 0.002 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1C 726769877 BQEAKUBOXJQTEU-UHFFFAOYSA-N 448.427 0.556 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 728213717 OAUDXMSOXQTUKS-INIZCTEOSA-N 449.577 0.857 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)NC2=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729510308 XETHZIDWRINYRC-UHFFFAOYSA-N 442.453 0.430 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 729951425 NUCYWYISPDRJOH-UHFFFAOYSA-N 428.357 0.669 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)COc1ccccc1O 730781547 RDTKSLMDXNNXIV-UHFFFAOYSA-N 427.866 0.940 50 20 ICGD COCCN(CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)OC(C)(C)C 733918927 GFKMTTNZPKAEEY-UHFFFAOYSA-N 429.495 0.735 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736405941 SIYNWAIIMRKVOB-UHFFFAOYSA-N 442.513 0.672 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 746340251 XVPMERYBAXAYQV-GFCCVEGCSA-N 436.412 0.587 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2c2ncccn2)c1 747348520 MNACBEWUSYUIBM-KRWDZBQOSA-N 446.533 0.937 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(C)C2=O)c1 748663313 KLNXDAKMASOZMJ-OAHLLOKOSA-N 425.511 0.282 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1 749352832 JNSDZOBHPGTGRV-UHFFFAOYSA-N 433.534 0.290 50 20 ICGD N#Cc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 749784789 CEHAGMATGZMPFN-UHFFFAOYSA-N 428.470 0.583 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 756100981 XECVFZGWVOPHHB-OTRWWLKZSA-N 439.472 0.379 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C1 757403236 YSWQVYDIZCPYBW-BETUJISGSA-N 432.506 0.999 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)nc21 759351893 QBKBPPKZIMYWNL-OAHLLOKOSA-N 426.481 0.986 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNc3nccc(N4CCOCC4)n3)cc12 762852857 XBXQBMQHVCBNEC-LBPRGKRZSA-N 444.521 0.831 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=S)NC1CCN(Cc2ccccc2)CC1 763166277 WXKWQOUHYGKEPO-UHFFFAOYSA-N 426.546 0.971 50 20 ICGD O=C(NN=Cc1ccc(OCCn2cc(C(=O)O)nn2)c(Cl)c1)C(=O)N1CCCC1 763169162 QXYMVVDWTHRQNO-UHFFFAOYSA-N 434.840 0.781 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763568966 RFFRJDXNCWTCAO-UHFFFAOYSA-N 430.392 0.518 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3c(C)nc4ccccn34)cc21 763629788 SZAVUFDURUZSOV-UHFFFAOYSA-N 447.455 0.743 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 763682113 OIHQRTQCUUWSJS-UHFFFAOYSA-N 442.472 0.881 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763802762 GPJBYBSACWGCMA-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764241920 PBDDOQLSHRAHHS-UHFFFAOYSA-N 443.485 0.678 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 764397415 IWYVPFJABHOBBF-CYBMUJFWSA-N 432.481 0.702 50 20 ICGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC(F)F 764812422 KQBRFRTYVZFFJV-UHFFFAOYSA-N 436.375 0.194 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644980 XZFFWROCXHVCCZ-UHFFFAOYSA-N 443.464 0.095 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 767447001 NSAVPXKNIKBSET-MRXNPFEDSA-N 435.477 0.864 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)C(C)(C)O)cc1 768248037 UDYYAOKRQZUAHW-AWEZNQCLSA-N 433.552 0.404 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNc1nc(O)c2cnn(C)c2n1 770991579 TUQYSJVUWQXQLE-HNNXBMFYSA-N 426.412 0.880 50 20 ICGD O=C(CCCNC(=O)c1cccnc1)NNc1ccccc1S(=O)(=O)N1CCOCC1 772463569 MZDJZKAGZCRWIR-UHFFFAOYSA-N 447.517 0.756 50 20 ICGD Cc1cnc(N)c(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 773230415 AIQKKFLJLQHHCR-UHFFFAOYSA-N 428.515 0.864 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1 773681485 VKYWVIULZVHORH-ZDUSSCGKSA-N 431.474 0.953 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 777274894 PEGPKYRVHPMCDB-UHFFFAOYSA-N 431.453 0.449 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 778495481 SOOYFCDQDYHZHL-QFIPXVFZSA-N 441.488 0.925 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@@H](C)O)cc1 779512364 WNRRTYVLGTWZIG-DOMZBBRYSA-N 432.462 0.611 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)n(C(C)(C)C)n1 782897385 OLSZKRYEPIBHLG-UHFFFAOYSA-N 449.537 0.948 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Cl 783423841 AVTLXYYQZVRTHO-GOSISDBHSA-N 444.941 0.862 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cn1 784384385 ACYUZPUIHCODMU-UHFFFAOYSA-N 439.816 0.289 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1 792806679 UOVBMVDRYSITFR-UHFFFAOYSA-N 429.520 0.199 50 20 ICGD CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 793381055 KKTBGVNBQCSSAY-NSHDSACASA-N 439.899 0.196 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794897164 POSGSXDDPMYJFC-UHFFFAOYSA-N 437.865 0.964 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 796991037 YWZQFAGCOOXKCU-UHFFFAOYSA-N 438.444 0.889 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 796992967 YLOMIKYBMZEDCV-KRWDZBQOSA-N 442.428 0.046 50 20 ICGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 799856687 JXXCMGGUQROTTA-CLCXKQKWSA-N 439.534 0.601 50 20 ICGD CCOCC(=O)NNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802465087 HNYNJCFNBGAROE-GFCCVEGCSA-N 441.451 0.837 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c2C1 803838262 KEEYNRLRULOYDQ-ZDUSSCGKSA-N 447.879 0.853 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3o2)ccc1F 806979859 IRBGKNNWJYEOSD-UHFFFAOYSA-N 434.405 0.880 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 807460371 HSPSGSNEEBIDTN-AWEZNQCLSA-N 434.453 0.984 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccncc1OC[C@H]1CCOC1 807615064 DDNWUBXJGZFLIJ-ZDUSSCGKSA-N 433.490 0.819 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cc1 810385167 NLHWCEXJHNBNOH-UHFFFAOYSA-N 440.503 0.470 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 914837480 FBMZTGDFHPYENJ-GOSISDBHSA-N 448.501 0.801 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc2c1=O 916123166 OKVVWRAYMWEVBC-AWEZNQCLSA-N 426.477 0.622 50 20 ICGD O=C(NC[C@H](O)COc1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1 916469026 WDOROGQYYCSPCA-ZDUSSCGKSA-N 439.469 0.503 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2C#N)cc1 916646882 UAMLVLVZXMNJIT-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 919883900 GKFCPWHMJZJQTG-CYBMUJFWSA-N 425.467 0.329 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cc1 919961573 DCIFZFHSLUJJFO-UHFFFAOYSA-N 432.414 0.912 50 20 ICGD C=CCCO[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 921146363 VLYLNPSVIIXSFL-MRXNPFEDSA-N 439.534 0.769 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1778786761 IGXDBWPSRNLOJN-XFBWCDHKSA-N 426.297 0.117 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1779034003 IANIDMAXHYBDQT-DOPJRALCSA-N 425.848 0.053 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872945 IBPCTBPWBDHZGM-PIGZYNQJSA-N 440.298 0.050 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782482814 PRWLIUJNUFQWNX-PBFPGSCMSA-N 431.946 0.665 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1783967319 FLGXAHUMUMOEIB-QPSCCSFWSA-N 430.343 0.620 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784582315 JCYSVFXPYNXIIV-OPAMFIHVSA-N 426.278 0.282 50 20 ICGD COc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982879 GIJRQCCECUYXPP-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295265 ZXZGBXXTQGLHMP-UKJIMTQDSA-N 428.283 0.870 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cn1 1787603407 DOYVJLIUISDNHC-SDADXPQNSA-N 425.869 0.061 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3)C[C@@H]21 1788610943 FRUKPSSMTZWGHT-STECZYCISA-N 433.534 0.174 50 20 ICGD Cc1cc(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789567250 BNVHFUUUHJQQEM-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1789925771 JNSDEZWTPNZULJ-INBFJEQOSA-N 432.334 0.997 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791055338 UFQKVIVFJVSGJR-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCSC3)[C@H]2C1 1792200849 ZMDYTOBUBSHLSM-YVSFHVDLSA-N 426.583 0.482 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795662542 LZPPVJFFDCPZTF-IGRYJHFFSA-N 445.505 0.063 50 20 ICGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732768 HNCACZFONQMCIH-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796080352 JZTUXEVTSOPLHU-YALNPMBYSA-N 443.953 0.847 50 20 ICGD COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796191825 CKXNBZLHHNCEHR-ACDBMABISA-N 433.273 0.812 50 20 ICGD CCc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)co1 1796441747 XSZHJBSBCSLHEB-POKDIBPUSA-N 442.476 0.574 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccoc3c1)C2 1797754227 YWJMWKMMYMFKQM-CWPLJXCYSA-N 449.467 0.948 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800638866 BFVDLNPMZFKKOK-NWJSVONSSA-N 428.283 0.870 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1804255602 YQGRDDJYOIEPIO-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1806850747 BBRIXVHQHRBLRE-QAPCUYQASA-N 433.472 0.703 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1808661550 MKLHKLRJUKFOAZ-PAPYEOQZSA-N 444.305 0.371 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811084068 XYFCRBVEWANKPE-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815053407 JYMPDANDXGEELK-BBBLOLIVSA-N 446.371 0.679 50 20 ICGD O=C(Cc1ncccn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815996546 FOAZLUQIYLLGLT-QGZVFWFLSA-N 434.265 0.428 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792976 FQVYEPKHHMTBJH-NEPJUHHUSA-N 442.501 0.406 50 20 ICGD CN1CCC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1820723670 PXBWWYKKWKROCH-LPHOPBHVSA-N 439.325 0.737 50 20 ICGD N=C(N)SCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826879125 MFDDZKJABXZTAP-GOSISDBHSA-N 446.382 0.616 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829771271 OXIDNMDVNUBISV-JNJICJOQSA-N 444.326 0.085 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959268 FOEMXTGYEWPFSG-DEYYWGMASA-N 446.342 0.143 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1830537389 GKTXDBSNTFHFIO-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830724326 FVVFVWZHNQYVDG-HNAYVOBHSA-N 427.885 0.068 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733511 NTDCRKZMNQTCEX-MAUKXSAKSA-N 445.831 0.404 50 20 ICGD O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)c1ccco1 1834818758 DJYBXUIRAXUVMK-QGZVFWFLSA-N 429.267 0.704 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1834818978 HATSMUHINMPZHD-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD O=C(Cc1ccc(F)cn1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834835137 MEAYEFIHRGJBIL-SFHVURJKSA-N 426.920 0.935 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836394731 FDINGSIRFUQBQT-QGZVFWFLSA-N 438.956 0.891 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404943 TXAZEFBRPGBLLG-YLJYHZDGSA-N 431.961 0.653 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840156849 WBMYHKUZXCTPBF-UZLBHIALSA-N 439.896 0.109 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183438 FEHHFRCQQDNPKU-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840199339 WYZLPCNBTFSWRX-CRAIPNDOSA-N 434.631 0.408 50 20 ICGD COC[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841664239 ULHBVNGEFHWPMH-KRWDZBQOSA-N 431.537 0.819 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013676 YFXSJCNBOYQQBH-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014222 LVDREWKOXCGQBB-PDGQHHTCSA-N 431.257 0.219 50 20 ICGD CCn1nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c2ccccc21 1843183321 POHLPXTXZOSJCA-UHFFFAOYSA-N 432.289 0.867 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)CC1 728213662 FIYABRWTNXANBX-QGZVFWFLSA-N 449.577 0.714 50 20 ICGD CCN(CC)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)CC1 728724273 IYQMVNAFJORGAL-UHFFFAOYSA-N 439.538 0.858 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc(OC)c1OC 729494187 KQXKYBLMRAQXLH-ZDUSSCGKSA-N 437.497 0.244 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)nc1 729623184 HAODSRHGGNGFIQ-HUUCEWRRSA-N 428.559 0.847 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)cc1Br 735028152 NUYPPZXGMVPZRG-JTQLQIEISA-N 425.326 0.810 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 735445908 HCYFZONSVVTVAS-UHFFFAOYSA-N 431.518 0.771 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 740738983 WQMCXIKOJIZOLD-UHFFFAOYSA-N 449.515 0.785 50 20 ICGD Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744545299 JMOAAOARGVSEJF-VCHYOVAHSA-N 449.402 0.995 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746761806 NNQLSRUWHBZEAQ-UHFFFAOYSA-N 437.504 0.699 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 748552713 JTOMVQLXRSEFEJ-UHFFFAOYSA-N 447.448 0.710 50 20 ICGD COc1nc(N2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)ncc1Br 750832129 BSEHKWIKIVFXNX-LBPRGKRZSA-N 443.346 0.952 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1C 751206533 ITCONUPTTYIEFQ-UHFFFAOYSA-N 436.490 0.810 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccc(C(F)(F)F)nn1 755182913 QHZUSHDXUVSENH-UHFFFAOYSA-N 434.400 0.612 50 20 ICGD O=C(NNc1nc(C(F)(F)F)cs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 755854483 DRADXKJQPSFPQU-SSDOTTSWSA-N 425.414 0.771 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 756193415 HJHYGGBTZYBGPG-LBPRGKRZSA-N 425.511 0.840 50 20 ICGD CN(NC(=O)c1cccc(-n2cnnn2)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785874 GDRGQYQJMATNAY-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(F)cc1Br 759574961 VLCQFSSSMLUPFU-UHFFFAOYSA-N 440.295 0.365 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 763532333 VLWBLTIJSILWBW-UHFFFAOYSA-N 425.489 0.993 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1 763660947 IXNZIGGXLNDVIC-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)ccc1F 763695791 XGAKARDRJYKEJJ-UHFFFAOYSA-N 447.814 0.928 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 763731830 BUBFMQDDROZMPZ-UHFFFAOYSA-N 443.485 0.582 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1 763773027 TUUUFEZJYDEEJI-UHFFFAOYSA-N 429.368 0.218 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2c(C)nn(C)c2C)c2ccccc2c1=O 763801590 ZYQSSTKRQKAAQP-UHFFFAOYSA-N 439.476 0.947 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 763807702 QGWRJJBIORVJIE-UHFFFAOYSA-N 439.403 0.989 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)ccc1C 763843046 MRQZXXAGYNZYIE-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc21 763999297 VEVOQQOACWOCNF-NSHDSACASA-N 435.506 0.391 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 764152627 TXPVXGRTHQIYLJ-ROUUACIJSA-N 438.440 0.894 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cccc1S(=O)(=O)NC(C)(C)C 764264570 PQMADLTZFCKWRR-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD O=C(NNC(=O)C1(O)CCSCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 764586458 VGOWEFMYFMMFET-UHFFFAOYSA-N 427.548 0.880 50 20 ICGD O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656334 ZTFOIWVAGZGJLK-UHFFFAOYSA-N 440.460 0.612 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccn(CCN2CCOCC2)n1 769243151 VQJFPMLRHAYIKM-UHFFFAOYSA-N 438.510 0.776 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 772017198 JUUOLMUKMDWYJE-YUNKPMOVSA-N 436.440 0.718 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 772992055 ZUAKNEQKBHEWJH-LBPRGKRZSA-N 426.882 0.970 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2cc(Cl)nc(N)n2)cc1OCC 773861984 FMIXMSFZDCVYMK-UHFFFAOYSA-N 444.901 0.931 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 775204665 BJYBYYCLQVSNGW-UHFFFAOYSA-N 434.464 0.902 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780650293 COHGGIZTZXCUEF-HIFRSBDPSA-N 448.436 0.538 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 780971140 IYVKHMCYFZMOJH-UHFFFAOYSA-N 432.485 0.403 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 780973559 BYUNYTRDEGYMFN-UHFFFAOYSA-N 426.495 0.827 50 20 ICGD O=C(NNc1ncncc1Cl)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 782165363 FDVONCGWFCZZNR-OAHLLOKOSA-N 446.851 0.226 50 20 ICGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2O1 782897199 MJCBFUCPWFKVJQ-UHFFFAOYSA-N 447.473 0.887 50 20 ICGD CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000442 ZBXQVMBFIVKDBH-UHFFFAOYSA-N 433.465 0.420 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1 786890133 WMOCVLHBUZYJMN-UHFFFAOYSA-N 448.277 0.864 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2n[nH]c3c2CCCCC3)CC1 789907034 CZDXNYUXLSDYDV-UHFFFAOYSA-N 433.538 0.767 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)CNC(=O)OCc1ccccc1 794061145 UDKQTODOJRUWGL-UHFFFAOYSA-N 434.474 0.429 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1 795959766 TZCUZOCGIUQZAA-GFCCVEGCSA-N 426.495 0.651 50 20 ICGD C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797369304 SFEWHBHBZZJUEA-ZDUSSCGKSA-N 428.449 0.866 50 20 ICGD COc1cncc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 798453398 ALQXJIZEUJDUTC-UHFFFAOYSA-N 429.499 0.888 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ncccc3F)ccc2F)CC1 804220391 XBGAFRIBNGKSCU-UHFFFAOYSA-N 439.444 0.970 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ncccc3F)c2)CC1 807300171 BSVANJRMBQADMC-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCCCc3cc(C(=O)O)ccc32)c(=O)n(C)c1=O 811637338 TXDYJOSDPSQWAH-UHFFFAOYSA-N 431.474 0.516 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 815691248 JPBHERDIWBHFJU-LLVKDONJSA-N 445.867 0.407 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816873983 RVAXDOIUBQFKDE-ZBFHGGJFSA-N 441.448 0.509 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 817053683 BXBWHTSPIIAPNK-HNNXBMFYSA-N 435.428 0.954 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 825164122 GNYJLZTWRBSAQV-OAQYLSRUSA-N 441.419 0.687 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916144855 RLXMDTGMWKECBM-QGZVFWFLSA-N 436.411 0.341 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 916434676 NJWCDLCDTKVADQ-UHFFFAOYSA-N 429.477 0.967 50 20 ICGD O=C(NNC(=O)c1cccc2c1OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 917360887 UDNLZLKAJVSNMF-UHFFFAOYSA-N 433.442 0.511 50 20 ICGD Cc1nn2cccnc2c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918541733 YOEWNPYSKXHLJJ-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCNC(=O)c2ccccc2F)nc1 919656123 LBUNHALCVAMJIC-UHFFFAOYSA-N 438.485 0.964 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc(Br)cc1 1318119136 AORMFMHPAZEXRZ-UHFFFAOYSA-N 435.300 0.055 50 20 ICGD CN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1322468218 CXLRRLHNYYSUAY-UHFFFAOYSA-N 432.506 0.405 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1781222364 SMLQKMJKCWQAMF-FCEWJHQRSA-N 425.917 0.304 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1781995503 NQYFIXZYASWNIC-UYAYXHRUSA-N 430.343 0.810 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1783880529 CSGFXOWYFQBWAP-ORAYPTAESA-N 427.885 0.796 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784811409 GPJATNJJBNATIG-XQLPTFJDSA-N 447.960 0.869 50 20 ICGD O=C1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)CN1 1785898067 FEEDBFFPOBRCHU-INIZCTEOSA-N 435.289 0.640 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787013285 HMIYBWDTAOAXNN-UGUYLWEFSA-N 440.338 0.859 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093238 SNWCQJQWTAYDGI-IHRRRGAJSA-N 435.557 0.020 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)c(F)c1 1789650617 XRGYLFTXTWNLOE-KNBMTAEXSA-N 444.243 0.552 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789858008 PXFLPCVNMDSZSI-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C(CSC1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793331586 YYHVBMZXVUSBIA-CWPLJXCYSA-N 432.351 0.245 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccs1 1794184586 NMKWIPSDQQJDCX-HBCWATKFSA-N 443.529 0.583 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795609941 UJPAUXNCPJIGDY-CNRIWFPOSA-N 425.327 0.702 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(O)cc([N+](=O)[O-])c1 1796192880 AWJGJNHROWQCIU-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796371498 ZJHQUWJJHZSQQC-QJESEZNXSA-N 443.878 0.997 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccn(C)n1)C2 1796892204 NDDYSOBRECTCGH-DZBUXLHASA-N 425.493 0.735 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1800979472 JSSGQVKTCWLHCS-NDPMZMCLSA-N 425.848 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1Cl)C2 1801013420 VNQDJIRMQMFDHP-VPTLXERWSA-N 436.940 0.845 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803682247 YSGAHUJFHQDVOE-CVAIRZPRSA-N 425.294 0.364 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)C1 1805389882 XBTQYAMHEFROEC-ZDUSSCGKSA-N 446.342 0.792 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1808767104 HKBYMHIGUREFIX-DYESRHJHSA-N 439.520 0.873 50 20 ICGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2)C(=O)O 1815076299 IXUNLAZOTKABPF-WPRPVWTQSA-N 433.328 0.903 50 20 ICGD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)COC1 1815348772 XVAUDQXARUXEJQ-CQSZACIVSA-N 429.307 0.475 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478883 CRKQZSSRADGPOZ-IRXDYDNUSA-N 446.338 0.509 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccno1)CC2 1819795915 VMJBVGWEBWSPJV-VIFPVBQESA-N 427.446 0.669 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822630607 NEBLOADIZBQEFS-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048828 AFOMZDWDAWLRHX-DYESRHJHSA-N 426.322 0.638 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](Cl)COC)CC1 1828762888 FINJZDYVYHXPJG-HRCADAONSA-N 433.933 0.924 50 20 ICGD C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(F)(F)F 1832160181 BUPFNAUVMMOHGE-JKSUJKDBSA-N 442.507 0.608 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1832206401 PCTVNYDNZACSIN-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cn[nH]c4cn3)CC2)CC1)[C@H](O)CCl 1833309859 BPPMZVFEGHOBCN-GOSISDBHSA-N 434.928 0.743 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1834084210 JGQCWAKEPWAAAC-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCCC3)CCO2)C1 1834679972 QFRXWKGEGPOCKW-ZHNJOBQTSA-N 443.504 0.687 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834967594 YONOSRASXDPSPZ-FXAWDEMLSA-N 444.887 0.915 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835696861 ZTOFPBGASWHYTE-SYNHAJSKSA-N 440.928 0.592 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836186953 DQQFBUPMWCKZQD-GOSISDBHSA-N 426.311 0.866 50 20 ICGD O=C([C@@H]1CCCS1(=O)=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719049 KPKLJRDRMVETNA-HOTGVXAUSA-N 436.958 0.162 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837243593 SXJWWTPPIWZECV-RZAQHMAJSA-N 443.335 0.292 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)CCBr)CC3)CC2)CN1 1837655159 UUVNUXKYDMXFPL-CYBMUJFWSA-N 430.343 0.906 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199174 RTHNFEUEHWFFJP-GRDNDAEWSA-N 436.322 0.618 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840029560 JIIUKVMOTAPKIO-RDTXWAMCSA-N 432.359 0.568 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030237 GJUAOMROADNQGR-CXAGYDPISA-N 434.331 0.095 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cc(O)n1 1840032909 NFWLGUVDCQJJLN-SCLBCKFNSA-N 442.310 0.949 50 20 ICGD Cn1ncc2c(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)cccc21 1844264503 ZFEYCQYVMCTKGB-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844458898 PVNFAQRVLPIVLC-WYMPLXKRSA-N 439.432 0.126 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CC(=O)Nc2ccc(F)cc2)C1 1844992465 FBSLEMVRADMDFP-UHFFFAOYSA-N 433.484 0.731 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)C1 1846860988 PPQLGCDQTYVLOQ-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CC1 1847556870 RGJJRBSSVGLBGS-SOUVJXGZSA-N 445.944 0.550 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 104672129 AKVYOTIRMRWANH-UHFFFAOYSA-N 442.384 0.816 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 727761608 SQHXBFBYGJLYMW-KBPBESRZSA-N 426.539 0.684 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 729274926 HQXCHOZDHOVHBR-AWEZNQCLSA-N 446.529 0.777 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(C)c1=O 730568851 FOUJBXDTSAHPKM-UHFFFAOYSA-N 444.429 0.890 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 731494237 UZJMWXGNLBAMIX-CQSZACIVSA-N 435.506 0.897 50 20 ICGD COc1ccc(C=O)c(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 734630998 BCQIMQGLOVONLJ-GOSISDBHSA-N 444.396 0.417 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738505145 GHLWSRJQQDGODM-UHFFFAOYSA-N 425.445 0.343 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(Cl)c1 742231514 KCIOXAPOVVLOHO-UHFFFAOYSA-N 446.894 0.955 50 20 ICGD O=C(NNc1ncnc2[nH]cnc12)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 743469606 UXHCOMVEXFIKGP-LLVKDONJSA-N 443.445 0.433 50 20 ICGD O=C1CC[C@@]2(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)SCCN12 744620645 JICIFDOASBZSDC-KRWDZBQOSA-N 426.520 0.216 50 20 ICGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745736275 FPMMYZPFQYIANS-QGZVFWFLSA-N 425.467 0.452 50 20 ICGD Cc1c(NC(=O)[C@H](C)SCC(=O)NNC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 746012772 KNEMHMNMORULBD-ZDUSSCGKSA-N 434.522 0.847 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)CC2CCCCC2)ccc1Cl 748697498 LDORZCSYMLFLRI-UHFFFAOYSA-N 430.914 0.835 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 749522882 JDBJSFZWEMJOER-SCRDCRAPSA-N 425.490 0.474 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751069331 JVXWBCKMCCBOOD-CYBMUJFWSA-N 427.460 0.431 50 20 ICGD COCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 755556639 HVTVBSYNMDWFSD-GFCCVEGCSA-N 428.467 0.059 50 20 ICGD COC(=O)c1ccccc1CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 758911408 AWWCLBDZNAMTNY-GOSISDBHSA-N 442.424 0.936 50 20 ICGD Cc1cn2ccnc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)c2n1 761392507 SNKXCWONNDQXMP-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763575447 VQGBJWMBTWEQIJ-KRWDZBQOSA-N 426.429 0.751 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2cccc(C)c2)c2ccccc2O1 763619304 RFRWQPYVZKDFGU-KRWDZBQOSA-N 427.413 0.488 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 763682234 TVPZELJJKBKAQT-UHFFFAOYSA-N 436.428 0.643 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 763774931 KQVCCPYTGUKULY-UHFFFAOYSA-N 430.417 0.472 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(-n2nccn2)nc1 763939195 LQXPUWORPRNWON-UHFFFAOYSA-N 436.251 0.886 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(C)c1 764275710 RELOAVMBVKZMIJ-UHFFFAOYSA-N 431.401 0.417 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(OC)c1 764285870 CGXMQHDKBCCZJJ-UHFFFAOYSA-N 449.427 0.864 50 20 ICGD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764432006 HYWDRWOCTWRUFH-CYBMUJFWSA-N 435.355 0.232 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 765311389 AQEYDLMUKWTCJV-UHFFFAOYSA-N 433.465 0.804 50 20 ICGD CC(C)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2n1 765729448 XAZWSQXVFOGNRI-UHFFFAOYSA-N 449.471 0.567 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 765876641 BLEGYOALJGIDGE-ZDUSSCGKSA-N 432.524 0.176 50 20 ICGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652571 NVWZNVSHKUPDTQ-IBGZPJMESA-N 443.548 0.773 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 766660607 OWHLKKOEDWRBLE-UHFFFAOYSA-N 435.872 0.410 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n[nH]1 768274016 MYXMQSOJZWIOGF-UHFFFAOYSA-N 449.427 0.106 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)n[nH]1 768281916 SVYCOOYCDLIJGV-UHFFFAOYSA-N 426.433 0.615 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 769248286 VWVVOVCCVKRPGO-HXUWFJFHSA-N 431.497 0.647 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(Cl)nc2)C1=O 771251135 NIQRFXLTYSHZOS-LJQANCHMSA-N 431.836 0.972 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1F 773886449 WQADROOOAPUNQW-UHFFFAOYSA-N 441.463 0.921 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 778436556 MNRDIMNUIFDYLQ-UHFFFAOYSA-N 443.258 0.968 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H](CO)C[C@@H](O)c1ccccc1 778588383 HHJUHZABKATUHL-GDBMZVCRSA-N 435.506 0.408 50 20 ICGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)C1 779697198 ZPCDHJWVHVTUFC-UHFFFAOYSA-N 446.529 0.878 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781955269 MKCOONGHZFEIGN-DOMZBBRYSA-N 442.881 0.588 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 789742214 FFZBHPHGVFRGRR-KXBFYZLASA-N 435.502 0.558 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c1 792821534 VQXKEQHWNCPWCI-INIZCTEOSA-N 427.438 0.824 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 794064770 HZNKZVJASWPAQX-UHFFFAOYSA-N 446.485 0.815 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 807380324 GNUYTUVNFMJDJG-UHFFFAOYSA-N 437.291 0.594 50 20 ICGD CCOCC(=O)NNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 807562994 AVWOZKUDHIOWDN-UHFFFAOYSA-N 437.316 0.403 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 813033363 PMRBNONFEMBTOR-UHFFFAOYSA-N 447.473 0.374 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 814634009 UQHBPWAFZSMYMH-UHFFFAOYSA-N 448.505 0.691 50 20 ICGD CN(C)c1nc(N)nc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 816828426 FQLBLPJFDDZGEN-UHFFFAOYSA-N 444.459 0.842 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nnn(-c3ccccc3)c2C)cc1 917688143 JINWVWYQIDKUGI-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 917719313 DNYFGNWAJXYWOH-UHFFFAOYSA-N 446.438 0.608 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 919805304 LFMCJEACTZCUHK-CQSZACIVSA-N 433.446 0.852 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnn(C3CCOCC3)c2)cc(OC)c1OC 1253450446 XTERKPUZFORVNF-UHFFFAOYSA-N 440.478 0.884 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778063115 ADQLYDZWVYUJHP-XWCIJXRUSA-N 429.861 0.699 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(OC)n(C)n2)C1 1780245513 KWPUWLWFEUGPMH-ZBQZNYHESA-N 428.917 0.810 50 20 ICGD CCC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968836 QNRGEPMIUAGSJI-JOCHJYFZSA-N 445.520 0.142 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2[C@H]3SC=C[C@H]32)C1 1781537909 SPIQUMLYVLLHIR-OIFQWBKQSA-N 436.578 0.748 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1783868590 IIMQDMLEMPIVCH-ZWOKBUDYSA-N 426.897 0.812 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784008350 IIYGHPUMUHRLKP-XUFZZIBESA-N 429.477 0.079 50 20 ICGD O=C(CSC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784460634 BEJVCLOQVPATHH-VDGAXYAQSA-N 446.378 0.636 50 20 ICGD Cc1cc(F)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1790036881 AVBHQOFZVYWJJU-NDXORKPFSA-N 440.280 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccc(-n2cncn2)c1 1790247323 RFIHTQHZEKVBJC-OWLYRPNTSA-N 433.896 0.460 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1791058057 XQARCGIIFQZNBC-SRQBIAJPSA-N 439.354 0.715 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC=CCC1 1791774753 JJEOYIROJSLQSL-UDSSINMLSA-N 426.322 0.706 50 20 ICGD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1OC 1792979686 BDTGOTWNQIYWCU-DDFXLWFNSA-N 430.860 0.646 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)c(=O)[nH]c1C 1794311309 HOVHYPXTLPZILA-SJBDTSRBSA-N 431.320 0.826 50 20 ICGD CCc1[nH]nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1796346341 DYFQKJASPJIMBP-QDMKHBRRSA-N 430.701 0.871 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2 1796446138 MYECZPUDBWIHMP-NPZQQZSLSA-N 445.520 0.527 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)CC1 1797140225 LOECSFHGYQALEZ-CLLJXQQHSA-N 442.365 0.051 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Br)C4)CC2)CC1 1799192039 OBICILZEFDHISU-LXTVHRRPSA-N 447.349 0.047 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1799273987 OBPLHJDZYDSQGO-QHHYFVSCSA-N 443.331 0.637 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C2 1802338558 OIPZYHSKOUYBON-QDMKHBRRSA-N 425.530 0.522 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CO)c(F)c1 1803949431 QJZKFVWYEATIRI-MUJYYYPQSA-N 441.463 0.882 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1804626393 NFDVMTIURATASJ-GCJKJVERSA-N 441.536 0.666 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373261 RAMFKKBNXOBQAA-OZOXKJRCSA-N 438.337 0.421 50 20 ICGD O=C(CCN1CCCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973035 WAGBDMYEBJOPFC-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD O=C(CCBr)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976793 QASCDEGCOUKRHO-UHFFFAOYSA-N 437.143 0.996 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C1(O)CCC1 1809978316 ZMHPFPDBVHNFLL-QGZVFWFLSA-N 428.338 0.762 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)C1 1809978399 RZFRMRREGRSVOE-UHFFFAOYSA-N 441.253 0.156 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1813070626 KFRUQLDFSJAQIW-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1813074935 XEWIMWAWORBWGI-RDTXWAMCSA-N 429.481 0.203 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348406 MKKXNDBHHSPKCZ-IAQYHMDHSA-N 429.307 0.664 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(O)ncn1 1815356863 HLJDMWHYGWGVNM-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815476509 NERZHATXFQSCDP-JSGCOSHPSA-N 437.884 0.971 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666702 DUHUXIXYRFAFBS-CMPLNLGQSA-N 426.861 0.207 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccncc3F)sc2C1)c1cccc(B(O)O)c1 1817864314 VGBFQTOZLBOMBF-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824562347 SZEXMBKEKTZFGW-UWVGGRQHSA-N 441.897 0.884 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2 1826319947 XSGKETPGEFHNMB-CPFSXVBKSA-N 445.270 0.671 50 20 ICGD O=C(CCn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055427 VSHVVPPCWOZEBZ-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD O=C(CSc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725440 INRRDTZSCYQFPB-MAUKXSAKSA-N 429.926 0.230 50 20 ICGD Cn1ncc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cccc21 1830731079 HVXLPUWQGHAEMD-FXAWDEMLSA-N 436.896 0.243 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731631 LOABQOYWKJTXPT-XLIONFOSSA-N 442.944 0.696 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739034 WYMCJRVLZBTXLU-LAUBAEHRSA-N 438.908 0.681 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833035723 GRVMREGRGHVGCF-SFHVURJKSA-N 443.342 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833221472 SSTBKEURWDKNDN-IBGZPJMESA-N 442.513 0.330 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n(C)n1 1833448236 YXRREKWJQZZRFR-ROUUACIJSA-N 449.335 0.735 50 20 ICGD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834712096 VDIOMPAKFFNARF-IFXJQAMLSA-N 447.916 0.164 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H](F)Cl 1835080205 LXTJKIVVZHEJIJ-KRWDZBQOSA-N 425.697 0.086 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836887667 QULGPNCLBDVWBO-KKSFZXQISA-N 446.353 0.386 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837311927 QFFUWUIOXWAYPE-PGRDOPGGSA-N 436.553 0.584 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837647536 NBIZTPAFVSVWQR-XJKCOSOUSA-N 448.293 0.061 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)no1 1837710085 HMDKTBPKBVNEJL-GOSISDBHSA-N 426.546 0.228 50 20 ICGD CNCCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837866878 LDUFDFYNWAVCQQ-UHFFFAOYSA-N 446.552 0.297 50 20 ICGD N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1F 1839185851 NYKGTOSCOPWGCO-XLIONFOSSA-N 439.871 0.296 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711183 PGPCVSKBLQAEHI-HEHGZKQESA-N 430.303 0.079 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839963635 QTZSSPSTOGMAHU-PXAZEXFGSA-N 445.314 0.809 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840382606 OBWBJQUOHRHYQY-GOSISDBHSA-N 443.342 0.905 50 20 ICGD O=C(NCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccccc1 1843015735 WWIDPUHHWGLRMZ-UHFFFAOYSA-N 435.289 0.004 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nn(C)c3c1CCC3)C2 1843416066 VCDWBSSRJZUPNR-ZVHZXABRSA-N 437.504 0.860 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2)NC(=O)NCc1ccccc1 1845038412 ZGXLNBDNSQSVNJ-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846446976 CJJAMJGDUKZRBB-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ncccn3)CC2)c1 105797559 CXHABILONZWSFJ-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 730205325 MCRVFFOCMOGZBG-UHFFFAOYSA-N 439.519 0.355 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 730813371 HDJUKOZOSDLSLE-UHFFFAOYSA-N 425.375 0.460 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 732084632 SWHBFTUGOIFDTO-HNNXBMFYSA-N 436.450 0.631 50 20 ICGD CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732337426 PGRNJSIGKLGIMJ-QGZVFWFLSA-N 443.416 0.749 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(=O)c2ccccc21 735647560 SAVZPGYGKUONBJ-UHFFFAOYSA-N 449.876 0.792 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H]2CCN(CCOC)C2)c2ccccc2c1=O 739036501 WCOPZLKZQSCRCQ-OAHLLOKOSA-N 430.509 0.861 50 20 ICGD O=C(COC(=O)c1ccnc(N2CCCCC2)n1)NNC(=O)[C@H]1COc2ccccc2O1 740321068 WAHCCOCEKJOZFM-QGZVFWFLSA-N 441.444 0.611 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 747409971 MDGOOVGHKQREBC-UHFFFAOYSA-N 427.504 0.546 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1N1CCNC1=O 747717334 QVWWXLMWHCTEFZ-UHFFFAOYSA-N 437.412 0.714 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748247818 XPHQXWQMGCXYCC-UHFFFAOYSA-N 434.474 0.450 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1Cc2ccccc2O1 748360146 HTHOWMVHQRPFME-MRXNPFEDSA-N 434.430 0.414 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cn(CC(C)C)cn1 749864586 OCBOONQMUXBXBH-UHFFFAOYSA-N 428.540 0.764 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)co1 755406599 NFHUPSFCKLTCFE-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cnc2n(C)c1=O 755845973 APJVLEFYSDOBTH-UHFFFAOYSA-N 434.416 0.284 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cccc(OC(F)F)c3)cnc2n(C)c1=O 755850354 ZGLQVXHFAHAIRU-UHFFFAOYSA-N 434.359 0.700 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)c2ccccc2c1=O 756758031 DPQGBOFYKPQDKO-UHFFFAOYSA-N 447.477 0.124 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(=O)Nc1ccccn1 758824530 XBLORHRMHOSSBZ-NSHDSACASA-N 446.261 0.983 50 20 ICGD COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 758837459 CGGKPIAKGZBEBH-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 760957619 OXIDYIFKJMBDJJ-UHFFFAOYSA-N 440.503 0.297 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@]1(N2CCOCC2)CCSC1 763476601 MXLOTRNFPJBJER-LJQANCHMSA-N 445.586 0.830 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 763865823 QXDVKSYDUDXALL-GFCCVEGCSA-N 433.392 0.931 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)cc1Cl 763917161 QEXXNUPIORIHSQ-UHFFFAOYSA-N 445.823 0.733 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2O1 763979140 IIPQJKWUEKDAKE-KRWDZBQOSA-N 427.461 0.875 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764077967 WHSMMZNLBUXFGS-UHFFFAOYSA-N 442.469 0.123 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764152043 OBNDYOPAMXABNR-QGZVFWFLSA-N 426.429 0.243 50 20 ICGD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764233452 WSRIAHOYGIQBEF-VIFPVBQESA-N 447.901 0.102 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764239265 JGBIRYMKZHOEJY-UHFFFAOYSA-N 437.456 0.942 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1ccc(OC)cc1OC 764287198 WURRLYJIDYKFLJ-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)c2)CC1 764312979 FXTXYPHRHFDAKY-UHFFFAOYSA-N 427.480 0.902 50 20 ICGD CN(C)CCCNC(=S)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 764519848 ZLFHPBPRRLXGSM-UHFFFAOYSA-N 427.018 0.905 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1C 764662751 KHLJNGSWBMVIAL-CQSZACIVSA-N 447.517 0.654 50 20 ICGD N#Cc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765118008 HZBFZKOQXCHGAI-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD COc1cc(C)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 765376114 MDORKSYEKWOUMZ-VIFPVBQESA-N 448.295 0.287 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 765398947 OSLMOGKYYUAIMV-UHFFFAOYSA-N 446.457 0.341 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cc(Cl)ccc2Cl)n(C)c1=O 765729484 XFNGXXDPBPKODO-UHFFFAOYSA-N 439.259 0.131 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1C(=O)CCc2ccccc21 765736908 CDCDRSFRXRVHRM-UHFFFAOYSA-N 449.511 0.571 50 20 ICGD O=C(NNC(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)N[C@@H]1CCS(=O)(=O)C1 767682983 HXJKVKDRVLGKHL-MRVPVSSYSA-N 448.379 0.558 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CS(=O)(=O)NC(C)(C)C)n[nH]2)cc1OC 768278316 YHUUUBAYPMIWAX-UHFFFAOYSA-N 439.494 0.573 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)C[C@@H](C)O1 768930492 SUWVBKDZOQTSSA-VTJXTGGHSA-N 437.541 0.524 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCc2nnnn2CC2CC2)c2ccccc2c1=O 771382697 YSRCMOYCBLEYON-UHFFFAOYSA-N 425.453 0.518 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 771940000 MRVXTCBNHTXNQD-SECBINFHSA-N 425.385 0.473 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186127 NDRXXQYQFKLRPW-RISCZKNCSA-N 449.913 0.104 50 20 ICGD Cc1sc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c(=O)n2c1C 775638916 PLGPUABDKFZBQC-UHFFFAOYSA-N 449.514 0.698 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)nc1C 778425029 JSFZFLLJHOCISJ-UHFFFAOYSA-N 441.448 0.227 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)ccc21 778708359 ZKFYLIMUZONCDC-UHFFFAOYSA-N 442.476 0.212 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778710186 NZDHGASGARIHNG-UHFFFAOYSA-N 446.410 0.766 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncc(C)cc3C)CC2)cc1 779936484 NSOYOHDLIOSVDA-UHFFFAOYSA-N 445.545 0.774 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780906158 AZOCWRKJKMPTPR-CQSZACIVSA-N 438.423 0.763 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c[nH]1 788914718 DXELTYDSOSTYIE-UHFFFAOYSA-N 445.498 0.599 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nc(Br)ccc1Br 790218704 VJXUOJVWBGWSNJ-LURJTMIESA-N 441.101 0.802 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1C 790903365 BHADBDPMUSVESJ-CPNJWEJPSA-N 429.521 0.854 50 20 ICGD NC(=O)c1ccccc1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 791447978 YDMNENHSQCMGNM-UHFFFAOYSA-N 444.513 0.964 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 793749392 KTBPKYKBWDCHKD-GOSISDBHSA-N 446.489 0.515 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc1 794767318 OSAPUFQSXBUCKC-CQSZACIVSA-N 442.538 0.924 50 20 ICGD O=C(CN1C(=O)c2cccc(Cl)c2S1(=O)=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 799318381 DPZMTVJCCYANLN-UHFFFAOYSA-N 438.805 0.854 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)cc1 801108507 IRORUOOGMFDWGW-ZIAGYGMSSA-N 429.477 0.828 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 804957545 LNSYURBBNUCXRP-UHFFFAOYSA-N 447.452 0.579 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 806339781 IUYPATSJDDOJHX-OAGGEKHMSA-N 428.530 0.659 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F 806567047 CWNBSQFOBFLPBL-GFCCVEGCSA-N 437.400 0.090 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3O)c3ccccc32)N1 806972798 MAIBWGKCWWWVJK-KBPBESRZSA-N 438.440 0.189 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3nc(C)nn3c2)cc1 810385921 FFRTYNVLAOJEHZ-LBPRGKRZSA-N 426.433 0.990 50 20 ICGD O=C(COC(=O)c1ccoc1C1(O)CCOCC1)NNC(=O)[C@H]1COc2ccccc2O1 815450097 NRVAACHMCNWPBA-MRXNPFEDSA-N 446.412 0.422 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3nccnc3C(C)C)cn2)CC1 815625473 FFKQLXBDQCBJOK-UHFFFAOYSA-N 442.480 0.965 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCc1nnc2n1CCCCC2 914534896 RHCJDRBTNPXOOW-UHFFFAOYSA-N 448.553 0.793 50 20 ICGD COc1c(F)cc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1S(N)(=O)=O 915548018 FIAKFKKSEDVNMZ-UHFFFAOYSA-N 439.421 0.029 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(C(=O)OC)n2)c1 916096471 OTFPEEPQHWEUEB-UHFFFAOYSA-N 434.474 0.974 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2C[C@H](C)O[C@H](C)C2)nc1 916249761 JDPLTNJFZSYUCF-GASCZTMLSA-N 428.559 0.894 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cn2)CCO1 916393040 RBFOSVGSYPMGBR-AWEZNQCLSA-N 447.517 0.854 50 20 ICGD O=C(NCc1ccc(CN2CCCC2=O)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 918124963 KQXOMVWBIHRVOL-UHFFFAOYSA-N 434.460 0.929 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N[C@H]1CCS(=O)(=O)C1 919883361 CKPQAPAZAKGNPB-OLZOCXBDSA-N 428.898 0.206 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1318573992 PRCYBMZHVKCUOX-UHFFFAOYSA-N 426.886 0.249 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN([C@@H]2CCC[C@H]2O)CC1 1319425251 PRTGIHFNVZXYMU-HZPDHXFCSA-N 438.554 0.302 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1SCC(=O)N1CCCC1 1321415488 TZGNDJIQAOWLBY-ZDUSSCGKSA-N 425.532 0.597 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1779029830 ACNKOXTWMIRJNO-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779332752 PNUFCSQZDCJLFG-YCRNBWNJSA-N 444.337 0.067 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1 1779894481 CMBAHGWFGLSZCL-YVEFUNNKSA-N 427.299 0.960 50 20 ICGD Cc1nc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)sc1C 1779942613 POAPOWCZJGNNRS-HXUWFJFHSA-N 429.307 0.197 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780816850 DYJXANTXCVNMPU-JJRVBVJISA-N 428.331 0.823 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780902095 VIZAQJWJMOGJQG-RISOHXOYSA-N 441.887 0.374 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1781223913 DUMARZJJTHRIEQ-ROUUACIJSA-N 432.304 0.368 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1782786449 DMTXXMJFMMLNKS-MRXNPFEDSA-N 433.248 0.390 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1783880091 BIVMAIVKOINQFQ-BXTJHSDWSA-N 438.912 0.284 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cc(Cl)ccn3)C[C@@H]21)[C@@H](O)CCl 1784091521 WNHRBAMXTKRBLF-MXAVVETBSA-N 432.304 0.693 50 20 ICGD COC1(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCC1 1784867682 DEXHOIPMAYKDMX-NRFANRHFSA-N 431.493 0.088 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982150 PGKRMFOBUIERDK-GWKIZSTFSA-N 440.305 0.432 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CCSCC1 1792288228 GTCRSUQFAUGXSU-WDSOQIARSA-N 432.351 0.103 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCSC1)C2 1796444310 KDMLNFHDDDBXPZ-GLPAEGGISA-N 447.561 0.853 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2cc[nH]c2c1 1796815636 NSAFYMGHCXLNHJ-RMFSNUHRSA-N 433.273 0.365 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c2n1 1797434709 QPUMNUYHTXORBL-REPLKXPHSA-N 447.304 0.592 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)o1 1798436172 QFHYOJSEOKPBLZ-BTTYYORXSA-N 440.460 0.802 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)OCO3)C2 1798440248 IKQMYUIJHJTITA-QDMKHBRRSA-N 437.456 0.979 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C1CCCC1 1799309357 QTAKGRKLJWCCIW-HMAWRFLHSA-N 427.505 0.635 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)CC2)CC1 1799349401 URINMTYUFQNHKH-XGUBFFRZSA-N 447.349 0.047 50 20 ICGD Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1799803328 MVSMCFOLSNEGBX-RMFSNUHRSA-N 427.505 0.443 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807371744 ZLCCJYFDVUATRM-PGRDOPGGSA-N 447.304 0.057 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374529 HSRJPRNLBXGEST-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374640 ISWHFZRHOOLJAG-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815238766 LHKWQYKBAKMRGR-OAHLLOKOSA-N 435.529 0.690 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C=CCN1)CC2 1817280125 NYMXNNHGSUSYEI-RBAKBABWSA-N 441.517 0.717 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470454 RIOSJHLAKQYWIB-RTBURBONSA-N 439.325 0.880 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)c1cccc(B(O)O)c1 1817474385 QSIWSGZEMQCJGZ-QGZVFWFLSA-N 434.265 0.428 50 20 ICGD O=C(CCc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817551890 LPUIJAWWIHCMDU-LJQANCHMSA-N 448.292 0.818 50 20 ICGD Cc1nccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1818320945 LELPZCDJRQWUAX-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CN1CCN(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](O)CCl)CC3)CC2)CC1 1824183989 GBQAVRGGOYOTNW-RTBURBONSA-N 441.016 0.986 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972074 GHTPJXKXTCNRAT-OCCSQVGLSA-N 443.342 0.941 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cnn1C 1826104727 IEMLCJXXQHMEDI-NRFANRHFSA-N 438.337 0.955 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821922 ANQFAQLFGIMCNE-VHDGCEQUSA-N 431.375 0.982 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830013590 BQORMVAHHGEYOM-BQNPTPDXSA-N 449.508 0.002 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831180771 VJNIEWOEFDQBON-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831688326 ZGXSGCLIBZROKF-FQEVSTJZSA-N 431.961 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1831871698 WNUUTXCUOSKBMV-OAHLLOKOSA-N 449.512 0.924 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1832289448 IUYFBXVACJTJKT-KRWDZBQOSA-N 434.331 0.096 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833532366 MADMKAIDCPOVBA-HXUWFJFHSA-N 449.788 0.959 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833864449 GTOPSFUVMBDYEE-WBMJQRKESA-N 449.277 0.189 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834616215 FKWLKQZFOZGKCC-DNVCBOLYSA-N 427.885 0.876 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800402 GBMZBGNWXQWYFW-FGZHOGPDSA-N 439.365 0.598 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835652667 QUJVVQDPZZSGFI-RISCZKNCSA-N 441.323 0.150 50 20 ICGD O=C(CCC1CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927131 HUWMVKYYPIWSDW-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837321500 OGYBFPWRBJUNMX-HDSFYLASSA-N 449.891 0.078 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838724633 UJFJTTHPVZZPHI-KRWDZBQOSA-N 440.928 0.496 50 20 ICGD O=C([C@H]1CC[C@H]2CCC(=O)N2C1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839083319 QDBCGANFRZTEKF-IWKLRQMXSA-N 431.892 0.378 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839144908 OEBMMWHCBXKOEL-BEFAXECRSA-N 428.917 0.617 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199571 YBCCYDCJYVJUER-KFNAQCHYSA-N 438.294 0.048 50 20 ICGD O=C(Cc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199614 YJTGZAIMAJHSHG-GOEBONIOSA-N 431.262 0.166 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1840150541 MTROQBNEUIDTRE-HNAYVOBHSA-N 428.917 0.361 50 20 ICGD O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350351 XBRKLNORZUHWPN-AWEZNQCLSA-N 442.299 0.869 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847568996 SERKYWBIYBZADJ-BYNSBNAKSA-N 431.917 0.424 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(C)(=O)=O 1848099550 NNEHPTDOWFORRP-AVGNSLFASA-N 437.946 0.365 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 26539702 RXYQNVXNEZGHCE-UHFFFAOYSA-N 425.470 0.489 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 728944989 QSQPSSMUHQIXDD-INIZCTEOSA-N 445.524 0.156 50 20 ICGD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 729301110 ZAVMQCVQDNNNLS-QGZVFWFLSA-N 429.502 0.714 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c(C)c1 731759213 NUUIFEZSRHZBSX-UHFFFAOYSA-N 441.473 0.588 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 732236337 UQIJXNHDJLRINM-UHFFFAOYSA-N 432.506 0.662 50 20 ICGD NS(=O)(=O)c1ccc(F)c(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 734518935 KHKVZKDGMCEZCM-UHFFFAOYSA-N 434.247 0.708 50 20 ICGD Cc1cc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1[N+](=O)[O-] 736418605 GFHXYZYPFIGERS-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c[nH]1 743249608 IKKYTKQAAQLDBF-UHFFFAOYSA-N 433.446 0.715 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCN(c3nc(C)ns3)CC2)cc1OC 744419379 FGGURJUFFBEXJK-UHFFFAOYSA-N 434.522 0.837 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 744814802 CZNQTGWDFYHIKP-GFCCVEGCSA-N 433.417 0.864 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N(C)C)CC2)cc1 746008287 LUAYBZQLNNNDNY-UHFFFAOYSA-N 426.495 0.566 50 20 ICGD CN1C(=O)C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 755094262 UBVDIJHKEWHSHJ-DZGCQCFKSA-N 425.848 0.704 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 757797886 IKRRJSIJPCKZMG-CYBMUJFWSA-N 446.551 0.598 50 20 ICGD Cc1cc2c(N3CCC[C@H]3C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ncnc2s1 758043818 KYAOOIHPRGFQEY-PWSUYJOCSA-N 426.524 0.054 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)nc1 759737543 DEYGRPRDHKDBBK-UHFFFAOYSA-N 435.462 0.109 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)nc2)CC1 761789373 HDTGVHTZOLZYFI-GVDBMIGSSA-N 438.554 0.601 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1cccc(C)c1 763623367 KKIRVPHHASCAQE-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1 763735805 MGLMFLQAMBHCRA-UHFFFAOYSA-N 443.485 0.883 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1 763772895 PSDWHXYUWZFORI-UHFFFAOYSA-N 426.429 0.732 50 20 ICGD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)C1 763998545 PSVKDCKJDKGXGU-ZBFHGGJFSA-N 436.534 0.439 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(Cl)c1 764002185 JSWLFZZMXBMOFG-NSHDSACASA-N 439.881 0.355 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764125299 SVLUZPBIEMGWSQ-UHFFFAOYSA-N 440.865 0.495 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nc1 765754467 KYCYSSJTYVIVHT-UHFFFAOYSA-N 425.489 0.755 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 770542221 GIOCVTMPZWWKPJ-UHFFFAOYSA-N 437.316 0.680 50 20 ICGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771606920 KJIRIEKYLQIJDE-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNc2cc(Cl)nc(N)n2)CC1 773861494 CAIMUBLPBOMMQQ-UHFFFAOYSA-N 428.906 0.596 50 20 ICGD O=C(c1ccccc1N1CCOCC1)N1CCN(S(=O)(=O)CBr)CC1 776188379 DIDMMVQKUXHSIC-UHFFFAOYSA-N 432.340 0.963 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3scc(C)n3c2=O)cc1OC 776463325 FEMWHLUKFJYBSO-UHFFFAOYSA-N 446.441 0.700 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(C(=O)OC(C)(C)C)c2)n(C)c1=O 777889473 WTPIVMGHZGAKJA-UHFFFAOYSA-N 440.460 0.539 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 781955891 BLIHWZRDNOGFCZ-RDJZCZTQSA-N 448.888 0.797 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CC[C@H](C)C2 782966999 QCIJNJMMEPSTOD-VIFPVBQESA-N 436.490 0.414 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 783037273 PCUKZBZMSZGDAJ-ZIAGYGMSSA-N 430.465 0.609 50 20 ICGD O=C1COc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc2N1 784214017 SMOWAGPAIGFWDC-UHFFFAOYSA-N 445.457 0.540 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 785727190 WGZVTFBPQOGDBM-QZTJIDSGSA-N 429.473 0.740 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3ccccc3c(=O)n2C)cc1 794766147 CTFMQFZZYIYMGC-UHFFFAOYSA-N 442.497 0.929 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1 795290572 OKDRVXNZTZIXTD-UHFFFAOYSA-N 445.295 0.777 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1 799670771 MCJOPJZZNCVGDE-UHFFFAOYSA-N 443.388 0.796 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 800055117 GUPDHHSYTSQTDU-JSGCOSHPSA-N 436.494 0.240 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1 802057556 JYSLPQICZKHVIY-UHFFFAOYSA-N 436.436 0.726 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 802059491 XTTZVJKUFZIHRH-UHFFFAOYSA-N 437.478 0.521 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc3cccnc23)cc1OC 810269136 ABQMGWMXGXSPIF-UHFFFAOYSA-N 444.469 0.992 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810316586 RIDLEKQXTBHGFP-VIFPVBQESA-N 434.400 0.982 50 20 ICGD CCc1noc(C[C@]2(O)CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 856673029 FMHLQHOFYZLRJW-LJQANCHMSA-N 432.437 0.371 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915685869 PFISFEDTVRZGSY-UHFFFAOYSA-N 445.563 0.693 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)Cc2cccc(F)c2)c1 916094479 KMKJHUJHQUDPBF-UHFFFAOYSA-N 436.465 0.196 50 20 ICGD N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916409850 KYCIERPSXARNAJ-UHFFFAOYSA-N 443.485 0.723 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C 919807411 HQPNYRGAAJQCOT-UHFFFAOYSA-N 438.531 0.772 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 919961071 QGHVEQBRHVQUOJ-MRVPVSSYSA-N 442.313 0.137 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)c2ccccc2)cc1C 920855722 YTEXXSMSDSFAMU-KRWDZBQOSA-N 432.502 0.677 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1cncn1-c1ccccc1 1116340302 ITDWUFMBSQJQFH-UHFFFAOYSA-N 434.503 0.856 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778658301 MEYDIUKBXHDZMH-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)c1cc(CO)on1 1780221367 PCRPCJJFZAMWLN-DVOMOZLQSA-N 434.262 0.985 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1781258079 DWLIMFBYRSFKFZ-WAIKUNEKSA-N 438.289 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C2 1782172437 UVKKMQJHGXXOFI-JXXFODFXSA-N 431.961 0.916 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783870697 FTLYEAKGLNGBQN-WJPUGNRLSA-N 441.956 0.861 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1783882825 SBICBGRDDXLKQO-SGTLLEGYSA-N 440.909 0.453 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc2C1 1783950560 XZQHFSYKMKWMHH-GOSISDBHSA-N 430.336 0.966 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C(F)F)c3=O)C[C@@H]21)[C@H](O)CCl 1784091453 URVXSTBIKXVWNW-DEQVHRJGSA-N 433.839 0.436 50 20 ICGD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785881878 LQLJQARNIXQMFI-WDSOQIARSA-N 431.537 0.610 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl)[C@@H]1SC(=N)NC1=O 1792781905 GGOQITDUZZYCHP-WJTVCTBASA-N 430.958 0.643 50 20 ICGD Cc1nc(N)sc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796118200 GGBSXXKSEGBSCQ-ZSBIGDGJSA-N 429.506 0.598 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(F)(F)F)[nH]1 1797989984 SAUVVIVYLQEFCD-DPIQGUFMSA-N 445.442 0.610 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)c(=O)[nH]c1C 1799275908 FUMFJSGPLUYGNH-YFQWEKLQSA-N 431.320 0.826 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)c1n[nH]c2c1CS(=O)(=O)C2 1800159051 MICMUDAQAXRAFX-LOKDSWTASA-N 449.302 0.780 50 20 ICGD Cc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801009590 PJVSHLHEOWUSKC-OPMZPASUSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cnc1Cl)C2 1801011303 HCJIYLGFNJWCKG-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1802338847 URLKYXOVKCAJJA-TXTZMMAHSA-N 433.553 0.399 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(F)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363203 YVYXQAIXCKGYQP-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369480 LMHYORKPDNXMBH-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808246794 PHVPUUGOYILAKR-DYESRHJHSA-N 433.277 0.047 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1809550528 IHQUCYASRHDEAF-OBUJGBQQSA-N 437.305 0.649 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810214809 GJJXMTKAYWYGDN-FFSVYQOJSA-N 436.310 0.994 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293687 GFSKFAVHPAXVHB-URLQWDBASA-N 440.504 0.682 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)CC1 1814870362 QFVOEALRERQGEZ-HZPDHXFCSA-N 426.949 0.639 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN)n[nH]1)NC(=O)NCc1ccccc1 1817243127 PJSNCUXLGNLLEL-KRWDZBQOSA-N 442.524 0.707 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817360475 SUJHQHVOEWWQNR-UMNHJUIQSA-N 429.319 0.778 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469813 FAFFUGSKBXWUGQ-DYVFJYSZSA-N 441.297 0.310 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470456 RMSPWJUXHHHFSJ-KBXCAEBGSA-N 426.282 0.987 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1ccnn1 1821726660 JIUDOTBGCJJCME-HIFRSBDPSA-N 431.501 0.628 50 20 ICGD CNC(=S)NCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1826000204 OHKSXRHOEUJEJF-VHSXEESVSA-N 433.987 0.793 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083075 JPJLNVGCNQYSJE-JKDFXYPNSA-N 425.555 0.835 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(=O)C2CC2)CC1 1828923684 SVSXTSVZKUMFOZ-GOSISDBHSA-N 427.505 0.898 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829799103 BZDDKQWPZMSAJT-RDTXWAMCSA-N 429.926 0.694 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830970548 APLYQTHQKSVXCF-IIDMSEBBSA-N 443.342 0.932 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834606079 LHOAKVMQUIHYJI-MSOLQXFVSA-N 433.288 0.946 50 20 ICGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1836714902 BWPQWMWQDLOXBQ-MRXNPFEDSA-N 440.928 0.599 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836717559 GCHXMKZVQUCJBT-APWZRJJASA-N 445.004 0.221 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152974 PENUASUKOUSKGW-FXUCQVAHSA-N 443.393 0.838 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc2c[nH]nc12 1839509966 PLCUSJVGPKIFIL-JXFKEZNVSA-N 436.896 0.541 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839715762 VMYZBGRZVKAIEI-GOEBONIOSA-N 433.278 0.338 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839715763 VMYZBGRZVKAIEI-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840030954 BHWCZCNDWLNUHH-DYVFJYSZSA-N 428.283 0.173 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 1840151084 VYDCYXMTDRTWIV-JXFKEZNVSA-N 442.944 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840153267 JCEHGCJIEXSZAQ-SJKOYZFVSA-N 436.843 0.602 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840746302 YOMKNLNWNWWYLG-UTKZUKDTSA-N 448.907 0.746 50 20 ICGD O=C(c1cccc(-c2cnccn2)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011803 VKDJFIZMSXRKGD-UHFFFAOYSA-N 442.284 0.954 50 20 ICGD CCn1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c2ccccc21 1843183272 JIVKQTQDGQQTSK-UHFFFAOYSA-N 432.289 0.867 50 20 ICGD Cc1nn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CCC(=O)NN(C)C)nc2s1 1847978656 OOBPKGVXXNHDDL-GJZGRUSLSA-N 433.538 0.217 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 9930684 QRIPGULLDHVGSW-OAHLLOKOSA-N 443.547 0.303 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 17328868 MSAVZUVARAHDAB-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD C[C@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NC(=O)C1CCCC1 728344116 TUGMNEWZCJNFNG-CXAGYDPISA-N 433.461 0.602 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O 728385998 QRDNBIPSGXSWEE-GHMZBOCLSA-N 429.882 0.284 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 728850119 IWUYJSXCHANICP-HNNXBMFYSA-N 447.473 0.781 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728957547 XLAONEPTFSQQIQ-UHFFFAOYSA-N 428.474 0.243 50 20 ICGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NNC(=O)c1cnn[nH]1)n2CC(C)C 729456293 AUJYYPRGFCLZEJ-UHFFFAOYSA-N 445.484 0.267 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 731435478 FENHKVUKVHVTFB-KRWDZBQOSA-N 432.458 0.781 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 732052274 OOLXONPMMXYYAQ-SFHVURJKSA-N 448.520 0.568 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)cc1Br 732248455 YAXJUNKLDNSVPR-UHFFFAOYSA-N 437.316 0.730 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H](C)O1 732261889 OWGRLOVHZBJJBK-CHWSQXEVSA-N 432.568 0.100 50 20 ICGD Cc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1S(=O)(=O)NCC#N 733260721 PLECIZNCNBLKET-UHFFFAOYSA-N 426.458 0.801 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1C(=O)CNC1=O 733338789 KMCZRNWCZPPAEK-VIFPVBQESA-N 428.243 0.099 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2ccccc2OCC(N)=O)CC1 734825338 BBFRYCJZGZCHNM-UHFFFAOYSA-N 435.481 0.894 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)c2ccccc2)CC1 735091155 XTWLLMVJUMYTGW-UHFFFAOYSA-N 431.518 0.767 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1F 746636632 DUAKUKQOWGMVSW-UHFFFAOYSA-N 432.433 0.840 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1nccn(C)c1=O 747938685 XTGCVNJFJNCQNF-BMQCOBNYSA-N 437.547 0.935 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 748613576 CMXNCCORZIBFIT-OAHLLOKOSA-N 442.538 0.743 50 20 ICGD CC(C)N1CCC(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 749461444 YTHKBJTZOAXAPS-UHFFFAOYSA-N 432.525 0.846 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 752237786 GDBGNHRTJHAZSD-INIZCTEOSA-N 448.501 0.881 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)n[nH]1 756358577 KFVCAKBTOKGVKD-UHFFFAOYSA-N 435.510 0.511 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 756502109 FAHADXZZDJZRPR-RXMQYKEDSA-N 437.406 0.708 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1C[C@]12CCOC2 763374910 VFKHIRQRAGEXTG-XLIONFOSSA-N 437.518 0.214 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1 763603236 XSMPUXKVWDDUHP-UHFFFAOYSA-N 437.460 0.436 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 763660444 DFNLAUAXUVMQHM-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1 763831340 IQPPPUAPDZTCAM-UHFFFAOYSA-N 426.429 0.552 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 763841979 VTWBWYRKQBKKQL-ZDUSSCGKSA-N 430.465 0.721 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1-n1cnnn1 763858454 SJSJRKCHSUTOIQ-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)n1 763881711 OYANOKKSGJOMJT-UHFFFAOYSA-N 441.427 0.278 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1OC 763901295 NCGHJTRNKQQAQY-UHFFFAOYSA-N 432.437 0.358 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 764083151 PJEYNOFHSVFPDT-LBPRGKRZSA-N 426.495 0.612 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccc2OC)c2ccccc2O1 764131131 FEAQMQOJPOJPAC-KRWDZBQOSA-N 427.413 0.352 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1 764142754 KCXWKNIKDWGWFM-UHFFFAOYSA-N 439.538 0.669 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 764425683 QSGZVNVWTMTWLG-KRWDZBQOSA-N 426.429 0.118 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 764427040 XTEWCOXKAPKLEA-KRWDZBQOSA-N 447.469 0.162 50 20 ICGD Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812379 JTLURGFQEADJFP-UHFFFAOYSA-N 448.487 0.446 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 769236190 CKZGWMFZOAEUFM-KBXCAEBGSA-N 442.563 0.936 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 770239189 HZQWZGZXDCEZEZ-RZIFZGNASA-N 435.575 0.648 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)nc21 770972064 PMFRPJGCNSLWIB-CYBMUJFWSA-N 425.449 0.830 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2S(C)(=O)=O)cc1OC 771428150 MICQCHPZEWXGLK-UHFFFAOYSA-N 436.442 0.725 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 771867172 IUPRQNCFOFZKLW-GFCCVEGCSA-N 436.490 0.337 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772191142 BWDSMIIKDAJMTE-UHFFFAOYSA-N 438.893 0.668 50 20 ICGD COC(=O)Cn1cccc1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776183090 IEMSEENXONXTLI-UHFFFAOYSA-N 434.474 0.446 50 20 ICGD Cc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1S(C)(=O)=O 777779190 FYOBIYCDORAOEZ-UHFFFAOYSA-N 439.353 0.839 50 20 ICGD CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C(N)=O)CC2)cc1 778417767 XNDRTYUYWLHYEW-UHFFFAOYSA-N 439.538 0.465 50 20 ICGD NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)CBr 782402518 PXYSTIXSCGCWHO-UHFFFAOYSA-N 427.298 0.631 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccnn1CCC(C)C 782898094 YRGVJOAMQZZFDM-UHFFFAOYSA-N 449.537 0.930 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 783037272 PCUKZBZMSZGDAJ-OKILXGFUSA-N 430.465 0.609 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 787890333 YMYUGCZGNWZWBI-QWRGUYRKSA-N 447.897 0.274 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F 789809571 AFYJMSSNWCTQKT-YOEHRIQHSA-N 439.407 0.460 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H](C)O1 790482708 BDYYWJQAMMWJOU-JZXOWHBKSA-N 425.551 0.852 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1OC 792172727 OATQYIPSZMLNOG-INIZCTEOSA-N 446.412 0.857 50 20 ICGD COCCOC1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 792810246 QKSGQFYFMRGKJG-UHFFFAOYSA-N 433.914 0.970 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 793228162 KBABREQZBGHXKP-UHFFFAOYSA-N 436.494 0.746 50 20 ICGD C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 795552998 SOQCEJFWWWZHPY-LLVKDONJSA-N 433.446 0.454 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnc(C(C)C)nc2)cc1 796990335 QUWCYZQPQBTQCA-UHFFFAOYSA-N 448.505 0.315 50 20 ICGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1 799832361 XLKVGKAASZXONL-OAGGEKHMSA-N 428.599 0.871 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1OC 799857995 YNYPCEMHNLVHFY-AAEUAGOBSA-N 444.510 0.374 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc(O)n1 801598873 NYVMNOMQPCWGCQ-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNc3nccnc3Cl)c3ccccc32)N1 807009799 RZZYJWCDEKMXSM-VXGBXAGGSA-N 430.852 0.609 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)c1C 810559268 PQBOEPOTJFHQLS-UHFFFAOYSA-N 448.549 0.968 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 811480189 SRXBNFCEQPJQCY-UHFFFAOYSA-N 427.280 0.892 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)c2nn(CCC)c(=O)c3ccccc23)n1N 813365094 FIIIHHOMHJNLNN-UHFFFAOYSA-N 444.521 0.618 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc(CO)c1 813372913 RHFCXSVGRDNEEF-UHFFFAOYSA-N 447.513 0.594 50 20 ICGD CC1(C)CC(=O)c2cc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)ccc2O1 815692180 LIVOIEWBPXXSJQ-LLVKDONJSA-N 426.433 0.370 50 20 ICGD O=C(CN1CCCNC1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 914771054 BHPDYCPNJGQRMP-UHFFFAOYSA-N 437.503 0.725 50 20 ICGD COc1ccc(N2CCN(CCCNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 916196480 IFVWNZKLQOITLZ-HXUWFJFHSA-N 439.582 0.588 50 20 ICGD CCC(CC)[C@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCOCC1 916255938 IVSXNNGUOZBLMP-SFHVURJKSA-N 430.513 0.743 50 20 ICGD CC(C)CO[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917541367 DWSUFHVCDVTCMV-INIZCTEOSA-N 441.550 0.849 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1 1338718626 GHNLOVOJONROKM-HNNXBMFYSA-N 435.502 0.803 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778028999 DTQJLYVJARUIHE-OAFZBRQQSA-N 443.907 0.505 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c[nH]nc4c3)CCO2)C1 1779030251 LWSWWKYCCDHBHS-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020702 CWAYIEITBVYPFN-LIRRHRJNSA-N 437.884 0.028 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1781899683 CLJNUXOOKGABFN-KYZVSKTDSA-N 430.343 0.952 50 20 ICGD COc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782212024 CDOWSORUOQMRMF-XMSQKQJNSA-N 447.536 0.591 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782867509 PFVUUYFVURTGGT-MYXQPPCBSA-N 432.427 0.836 50 20 ICGD N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)CCC1 1783127040 LQOHMGAOTVMYMM-VGOFRKELSA-N 440.504 0.506 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1783876081 RQAUQXALOYYCSF-DJJJIMSYSA-N 425.869 0.550 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1Cl 1783934018 RYOZRLDNUHRSGC-LJQANCHMSA-N 440.932 0.442 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cc[nH]c3c1)CCO2 1783935480 URASOCMENHKNJI-JOCHJYFZSA-N 427.505 0.984 50 20 ICGD COc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784085332 GJVURUOJRWIJFV-OWLYRPNTSA-N 425.913 0.602 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784582013 HXAXXYJJDIZXCN-KSFYIVLOSA-N 426.278 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785268673 RDNZHLHDCMATJZ-NRFANRHFSA-N 436.484 0.135 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785677943 PGYQWVKYIPDECU-XMMPIXPASA-N 434.301 0.225 50 20 ICGD Cc1occc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786016638 UXDDKSPCBGXTIL-KKXDTOCCSA-N 427.461 0.494 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1789865270 OSASGKXIEHPHAG-AYDFFVQHSA-N 440.884 0.754 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056324 SZSSXLVVQMUXNO-PEDHHIEDSA-N 433.347 0.457 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795113250 QVZJUTQPWWZXEI-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)n1cnnn1)C2 1796893002 GIMKURSTCZSTGI-CZCNGZEJSA-N 427.469 0.006 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CO2 1797451038 LSIHOSKXDWBDEO-AHXJXLJNSA-N 437.880 0.475 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797690240 AFBWHNILCZZSHG-YHQUGGNUSA-N 433.347 0.315 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1804910085 YVDKUNGKNAZPHQ-IBGZPJMESA-N 429.326 0.126 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnccn1 1805429394 WWLZJCYSEBNPOJ-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1805557763 MCHKJRQSSXQMER-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807061071 LCXGWQCRQIFRAO-VNHYZAJKSA-N 425.331 0.744 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361237 WHHQZHLHAKXCBQ-GHTZIAJQSA-N 425.294 0.506 50 20 ICGD Cc1onc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1C 1807361829 HVZHXPOAABSHNI-RXVVDRJESA-N 448.288 1.000 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1810299828 UHJMIBZYNFHHEY-BEFAXECRSA-N 448.487 0.447 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1812863705 KIDAERBSEWOWEA-PCBIJLKTSA-N 440.342 0.464 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)C(Cl)Cl 1813075485 DTKFBNFFSPEWIZ-FZMZJTMJSA-N 428.276 0.443 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067406 AMTHHAMFJMOVDY-KXUCPTDWSA-N 446.371 0.821 50 20 ICGD Nc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)cs1 1815123879 OMGUWRKCPALNDL-NSHDSACASA-N 443.319 0.401 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2)c1ccc(B(O)O)cc1 1815348327 KPXQHMSLUFVKCW-JTQLQIEISA-N 428.106 0.852 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1O)CC2)c1cccc(B(O)O)c1 1815361131 YQJYNHMEYQXNLC-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1819591635 DOFMPDOZVVWKID-ZDUSSCGKSA-N 436.545 0.805 50 20 ICGD Cc1nccn1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821730096 WXCUCRJKNZZMQF-GOSISDBHSA-N 436.281 0.601 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050922 HDGWEPNFAJUSOU-ZLGUVYLKSA-N 429.370 0.973 50 20 ICGD O=C1C[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1827060421 IHNHEGFIQCECLF-QUCCMNQESA-N 441.337 0.126 50 20 ICGD O=C(c1ccoc1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727718 CLKOWRADNMIACA-BLLLJJGKSA-N 440.802 0.968 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730446 ALJRNGWICGXZJJ-GUYCJALGSA-N 428.898 0.066 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n[nH]1 1833824128 CVGKVCSSMUFFDH-ROUUACIJSA-N 447.319 0.919 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1833860362 IIKVSAPSMZFDRE-LJQANCHMSA-N 428.917 0.764 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516876 YPGWHYCXYUOTDT-NHYWBVRUSA-N 437.360 0.243 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)o1 1836025578 MXGIYRZUPHUWGY-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838280728 SJHNOOGBOSVGIZ-KBXCAEBGSA-N 429.926 0.473 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798097 BKRWGVLVFCBQRT-YVEFUNNKSA-N 446.298 0.268 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805387 JYULYPSCVIOQSH-CXAGYDPISA-N 446.298 0.410 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200325 ISVOYYRURHXPSY-WMLDXEAASA-N 446.273 0.146 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839203486 MKGPAYBCTARTJA-ZBFHGGJFSA-N 433.278 0.110 50 20 ICGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCCCC1 1840122988 HOSPNUWNJPNFKN-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD O=C(Cc1c(F)ccc(F)c1F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013228 WLGTUWGBZQLTHJ-UHFFFAOYSA-N 432.207 0.843 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014583 BHFDYRCFEFQCLF-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1843337965 IOJRNDCTCZDYTF-OAHLLOKOSA-N 447.448 0.784 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 15889035 GJWGURJXOGSIFR-UHFFFAOYSA-N 444.469 0.419 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 21875143 BTNKBFDXUDVTNZ-QGZVFWFLSA-N 433.486 0.959 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCC2CCC2)cc1 727867103 PCWBATZSKXYFLQ-UHFFFAOYSA-N 427.552 0.561 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(O)c1 728207343 MSTMZIHIEJXYEZ-CQSZACIVSA-N 435.506 0.902 50 20 ICGD O=C(NNC(=O)N1CCC(CN2CCOCC2)CC1)C1CCN(c2ncccn2)CC1 728961457 IFWHWTHFGTWSAV-UHFFFAOYSA-N 431.541 0.478 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)COc2ccc(Cl)cc21 734242104 SXFOMFGPRZNOEY-UHFFFAOYSA-N 441.872 0.921 50 20 ICGD COc1cc(OC)cc([C@H](O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 735678312 MANCCNAFXKQBAX-QGZVFWFLSA-N 427.421 0.357 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1C 736776294 ASGUVWOZFQDKKZ-UHFFFAOYSA-N 442.519 0.815 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 737768429 SRJFIYZXFUUHGI-UHFFFAOYSA-N 427.486 0.802 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 744642294 IWYZHOGTOZELCE-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745913360 LZKZXBOLYMSCPZ-UHFFFAOYSA-N 434.522 0.966 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 746819922 KIBQUJOFTDRDHY-OAQYLSRUSA-N 447.451 0.560 50 20 ICGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747786031 HCNWJXNPQUTTND-RTBURBONSA-N 435.484 0.749 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1OC 749402937 CFFXJMOMBBNRQI-UHFFFAOYSA-N 437.474 0.971 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CC3CCCC3)cc2)CC1 749952068 UWURFUSYXPJYCD-UHFFFAOYSA-N 436.534 0.881 50 20 ICGD CNC(=O)c1cccc(CCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 751545905 HNLGFDGKZHGKHF-UHFFFAOYSA-N 438.893 0.741 50 20 ICGD O=C(Cn1ncc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 758511924 FDJLYEFDLANRIN-UHFFFAOYSA-N 429.296 0.223 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(OC)c1 761275589 ZRRGBWLHMPWPKB-UHFFFAOYSA-N 431.496 0.204 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 763540469 VPENLQUSGCWUPD-UHFFFAOYSA-N 445.428 0.828 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1S(=O)(=O)N(CC)CC 763558401 OLJCFLUTDZWZFE-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763573608 UBGOAEYOBPNQIC-INIZCTEOSA-N 428.401 0.197 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 764139099 NOXLOTGPIVAHGS-UHFFFAOYSA-N 446.485 0.346 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 764205112 ZJUHEAAWMYLJGI-UHFFFAOYSA-N 435.437 0.408 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1-n1cnnn1 764249819 FDFKIUJHGSAMEQ-UHFFFAOYSA-N 447.358 0.672 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 764285895 CWKZWNXFMFLVMR-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764343255 SFBAILCUALOBNS-UHFFFAOYSA-N 435.396 0.884 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C 783522684 XVRNQTBJVFCOKU-MRRFBWAASA-N 426.514 0.757 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)COc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 797622342 IASFVWSXXVUAGW-FQEVSTJZSA-N 449.485 0.373 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ncccc1C 799259411 WBGNSERPZVOBLW-INIZCTEOSA-N 425.445 0.708 50 20 ICGD N#Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 799918637 VJEOTECBBBNBSP-SECBINFHSA-N 426.398 0.257 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 801104016 AXVQVVDSORPOSU-UHFFFAOYSA-N 428.854 0.482 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1 806974036 QWOTYNFCQOPDDC-UHFFFAOYSA-N 442.472 0.845 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 807369868 NCSWRFRIBOYYDB-UHFFFAOYSA-N 433.483 0.626 50 20 ICGD Cc1cc(C)c2c(N)c(C(=O)NN=Cc3c(N(C)C)n(C)c(=O)n(C)c3=O)sc2n1 807960013 JQDGSLVGYPGSBR-UHFFFAOYSA-N 429.506 0.723 50 20 ICGD COc1cccc2c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n[nH]c12 808676800 SAGSJJKALLRITA-HNNXBMFYSA-N 426.385 0.716 50 20 ICGD CSC1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCN(C)CC1 811851547 HSMKVTDLKOVJPS-UHFFFAOYSA-N 428.584 0.751 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 812921639 OSOSGLJJHATIKL-UHFFFAOYSA-N 447.477 0.031 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2c1=O 813236289 JJOPJIDOUHOMJV-LBPRGKRZSA-N 438.419 0.822 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c2ccccc2c1=O 913573095 VFUOEXARAUWZOJ-UHFFFAOYSA-N 433.421 0.278 50 20 ICGD COc1ccnc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 914861403 SGJDYMJWVHSVCP-UHFFFAOYSA-N 436.494 0.329 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1=O 917392153 REFJZMDFNHRUSG-UHFFFAOYSA-N 448.501 0.354 50 20 ICGD O=C1CCCc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2N1 917727477 HPUSCIXCRCIWOX-UHFFFAOYSA-N 427.446 0.560 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778610749 YKORVYPMKMLKDH-XMMPIXPASA-N 445.284 0.672 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Cl)nc3)CCO2)C1 1779028165 LBKVENJQKPDZBX-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1779377453 OFPHNBURRYASIS-DNVCBOLYSA-N 444.674 0.836 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565540 MXJGOMRYUDKFRS-ZVYZCIRASA-N 429.379 0.790 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143616 HQLFVXMWRNLRBF-OAHLLOKOSA-N 437.305 0.981 50 20 ICGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924898 GUMYFVVETFKDSO-IEECTRCBSA-N 427.336 0.771 50 20 ICGD O=C(CSC1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793331209 GDXRYHWFJAMLLX-CWPLJXCYSA-N 432.351 0.245 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccns1 1794533033 MXJUFVFLYJLFIN-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cc1 1795250501 GBDNLNCGBJAXLC-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1Cl 1795732595 AAKAFHOFRNEPNR-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD Cc1nnc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)s1 1796188291 MJNDXTJFGYGMQE-BJWYYQGGSA-N 428.323 0.411 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CO)c(F)c1)c1ccc(B(O)O)cc1 1803945169 FLJHMFCHQYFAFK-REPLKXPHSA-N 426.253 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807029399 RZRZPIAYSPGKCS-DZKIICNBSA-N 448.844 0.066 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363649 NGSJLKQCRLKQGK-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)nn1C 1809968265 URFCLJFYJAMAAB-UHFFFAOYSA-N 438.337 0.496 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)on1 1813071308 RVVKQAKYCQTTQW-HTAPYJJXSA-N 442.520 1.000 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cnccc3F)sc2C1)c1cccc(B(O)O)c1 1815964553 GBKUIDNYQWKMST-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819593903 XXJSQGBOTMUTRL-ZDUSSCGKSA-N 447.505 0.978 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662693 VBYQTVLNBUYROT-HTQZYQBOSA-N 428.312 0.962 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821624053 XYSGCHCKQFNKJK-KSSFIOAISA-N 427.314 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(=O)n1O)CC2 1826080721 VDHHWHSRMHFBJU-NSHDSACASA-N 448.505 0.141 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059525 RPHUZZFQGVOYQW-FQEVSTJZSA-N 443.353 0.372 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827687841 QGLPEZJHTISKIG-HRAATJIYSA-N 443.353 0.467 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830374863 NERJMWKHQRHWBC-KCQAQPDRSA-N 435.338 0.889 50 20 ICGD O=C(CCCCn1cccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731785 PKXYULXBFZEXGS-PXNSSMCTSA-N 427.929 0.715 50 20 ICGD CSc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731991 OKIOXKTXDJGQIA-KSSFIOAISA-N 429.926 0.473 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762132 DLTBVRUWAXPEJX-RKVPGOIHSA-N 432.359 0.711 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832656506 XQCRTZRHDGUSKN-SCLBCKFNSA-N 443.294 0.950 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1)[C@@H](O)CCl 1833310847 VTQWTVMFPOCGFS-RTWAWAEBSA-N 448.995 0.872 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1834819335 NJPXIDZQQPMCEH-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1)CCO2 1835000640 ZEDSRWHMXQLBJU-QFIPXVFZSA-N 432.521 0.059 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939414 PVCYDHSIKQXNRP-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC=CCC1 1835940119 UVIACJKJPKNLEI-GOTSBHOMSA-N 442.321 0.183 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837289799 XEPLYAZXKKPXLS-GFAJBQDWSA-N 429.945 0.037 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1838279613 JJSBKBNXSRLRHI-FZKQIMNGSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1838650243 QQIQRYDJBAHRTO-SJORKVTESA-N 429.945 0.860 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654961 PJFUYTPZGONJEY-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839242809 LETGSUMKPDHRMY-SGTLLEGYSA-N 443.342 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)(C)C)n3)C2)C1 1840150515 NBXBNNQRPOCEBI-YWZLYKJASA-N 442.944 0.962 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840687299 GQYAKBHDQCFYIS-KXBFYZLASA-N 430.860 0.504 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1840792126 WBFWOWNGHYWMCQ-AUUYWEPGSA-N 430.860 0.504 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847067646 HLJLVDFWXRNOCJ-UHFFFAOYSA-N 445.325 0.488 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 17329725 AERQRYGBNRSUJA-UHFFFAOYSA-N 434.430 0.927 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725740499 FFSGZMXSOBWUKV-UHFFFAOYSA-N 438.531 0.873 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCc1cccc(C(N)=O)c1 726610751 KXHORBFXBWVHFA-UHFFFAOYSA-N 432.506 0.574 50 20 ICGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)c3ccc[nH]3)cc2)CC1 728133699 CCCVQCSWJUHSDJ-UHFFFAOYSA-N 442.520 0.744 50 20 ICGD CN1CCN([C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)CC1 728464599 VRWBCWSGNDKBQP-LJQANCHMSA-N 430.530 0.840 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)N[C@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 730129740 CKOSZJACADLACD-OAHLLOKOSA-N 429.525 0.557 50 20 ICGD CC1CCN(S(=O)(=O)C2=S=C(C(=O)NNC(=O)c3ccc(C#N)cc3)C=C2)CC1 730217035 YVAQYNURIJZUCH-UHFFFAOYSA-N 432.527 0.986 50 20 ICGD CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 731544223 ULWRFFKQESVYMU-UHFFFAOYSA-N 436.469 0.247 50 20 ICGD COc1ccc(OC(F)F)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 732923971 NDPILEUUEGOLEY-UHFFFAOYSA-N 429.405 0.331 50 20 ICGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733349855 JXUPBFBXQWMPGG-HNNXBMFYSA-N 425.493 0.511 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741881034 WLEGYSUEDJEJMD-UHFFFAOYSA-N 448.457 0.619 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(F)c(Br)c1)N[C@@H]1CCS(=O)(=O)C1 743254417 PCTSGLRXFCRALF-SSDOTTSWSA-N 430.277 0.268 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCC(=O)N2CCOCC2)cc1Cl 743547993 XAMFIRUJFRXSDM-UHFFFAOYSA-N 429.861 0.942 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc(Br)c1 743576254 WGLWROHCMRKKHP-UHFFFAOYSA-N 435.300 0.055 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 744751663 VPOQVFWSWIUSJS-UHFFFAOYSA-N 427.461 0.790 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2S1(=O)=O 746548827 NFUUHVBEPQFMBH-UHFFFAOYSA-N 427.442 0.502 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 748790553 KOCYADCPKUWVFA-LBPRGKRZSA-N 428.444 0.693 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2ncc(I)n2c1 749316890 GBLVFARLFQIRHJ-VIFPVBQESA-N 448.242 0.135 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1ccc(Cl)nc1 749904254 SZRBTNJCWOUFPI-UHFFFAOYSA-N 426.828 0.374 50 20 ICGD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751363884 XWUBMYXQBHMPFT-RRQGHBQHSA-N 436.534 0.504 50 20 ICGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753967744 OWQBXZATEIIXCP-HOCLYGCPSA-N 440.522 0.609 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 755436869 WOCYAZHNBXOPLV-UHFFFAOYSA-N 444.477 0.444 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 756080887 OUPYNBPHVPCAIJ-UHFFFAOYSA-N 433.446 0.332 50 20 ICGD C=C(C)Cn1c(SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnc1-c1ccco1 758029693 MYUZSVVLAJATDP-LLVKDONJSA-N 442.523 0.291 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 758040419 PNCFZAKITBBVOA-PXAZEXFGSA-N 446.485 0.328 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C#N)C1 758752765 NLKMEJLPVVHIPR-UKRRQHHQSA-N 441.452 0.365 50 20 ICGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763735576 KXESVMHCILBYNK-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1-n1cnnn1 764016130 HPTNHJVRRVITCH-UHFFFAOYSA-N 448.399 0.726 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(O)c1 764104922 IUHURRNYWNNGTD-UHFFFAOYSA-N 446.485 0.301 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764155305 XYTRBOWSITUOBK-QGZVFWFLSA-N 433.424 0.741 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1Br 764226311 HRRCLUBKLAIGAR-LURJTMIESA-N 441.691 0.126 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 764277601 FPWKHZNEGYNEDV-UHFFFAOYSA-N 434.474 0.361 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764320889 NBOCMDUZOKOFIH-UHFFFAOYSA-N 434.449 0.694 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cn2)C[C@@H](C)O1 764367440 WQDXSNGHHPALPE-IYBDPMFKSA-N 441.488 0.998 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 764434918 SNEPCBXEGQOTNT-SFHVURJKSA-N 440.456 0.160 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C 765392011 SPKDQEMOYPBTJO-UHFFFAOYSA-N 430.483 0.830 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nccnc1OC 766264275 GXSHZIGIEZMVCP-UHFFFAOYSA-N 438.466 0.216 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 769248285 VWVVOVCCVKRPGO-FQEVSTJZSA-N 431.497 0.647 50 20 ICGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)NCc2ccco2)C1=O 771252194 PWOFRZYRZCXQFV-FQEVSTJZSA-N 429.433 0.894 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NNC(=O)CN(C)C 775449403 CDPMHFFEWKPTBE-UHFFFAOYSA-N 427.527 0.974 50 20 ICGD NC(=O)c1cccc(OCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 777838159 SJUXGVPNAOXRFV-UHFFFAOYSA-N 434.312 0.381 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 780973652 DZYUVYFOQWQKFE-ZDUSSCGKSA-N 448.476 0.873 50 20 ICGD NC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 782013369 HZQHHGZPFGBCGQ-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD O=C(NNC(=O)C1CCC1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 782549254 GJYKBIHSJGXYJB-ZDUSSCGKSA-N 430.508 0.105 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1cncc(Cl)n1 783258133 ATXJQZCTCMQZDN-UHFFFAOYSA-N 440.869 0.661 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)sc2c1CCCC2 783426693 JRITULLMSYVNKP-KRWDZBQOSA-N 429.520 0.550 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(C3(C)CCCC3)on2)n(C)c1=O 788696616 VQFAYVQTERQMOO-UHFFFAOYSA-N 444.452 0.106 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cc1 789732627 RAMYAWUZAJYNJN-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NNC(=O)CCc3ccco3)n2)c1C 789734670 FMXODJDWJWEYKT-UHFFFAOYSA-N 441.448 0.659 50 20 ICGD O=C(NNc1nc2ccccn2n1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 791243101 XWXBQPFUMYVTAM-OCCSQVGLSA-N 436.881 0.650 50 20 ICGD CN(C)N(C(=O)CS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 792851955 ZJJLHORCEZJXSW-GFCCVEGCSA-N 439.353 0.715 50 20 ICGD COc1cc(NC(=O)NNC(=O)CCC(=O)NCCNC(C)=O)c(OC)cc1Cl 802078669 SEGUTBAMRVWYTJ-UHFFFAOYSA-N 429.861 0.542 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNc3ccc(Cl)nn3)c3ccccc32)N1 806968099 XGEDSBJHJIZSLZ-NEPJUHHUSA-N 430.852 0.609 50 20 ICGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 808098851 XRWUELNQTBZJEQ-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD CN(C)c1noc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 812220162 BGFSIEHOXSAMBZ-UHFFFAOYSA-N 437.482 0.064 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnn2c1OCCC2 815827652 JCSJFHGMHAFNKJ-UHFFFAOYSA-N 432.912 0.898 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915684905 MHAKDMZVXLNSKW-CRAIPNDOSA-N 426.408 0.892 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCOCC1 916254459 XGUPBDDBOSTDJW-NRFANRHFSA-N 446.596 0.886 50 20 ICGD CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916291888 IQIFTYXXPWPWBP-QGZVFWFLSA-N 433.442 0.730 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cn2)CCO1 916393225 VCRSAMPMKWPNTA-CQSZACIVSA-N 437.464 0.427 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 917362480 KEQJSKPWRVOXAM-UHFFFAOYSA-N 429.458 0.626 50 20 ICGD CN(CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ncnc2[nH]cnc12 917904635 VDGNMUPCIRWIHY-UHFFFAOYSA-N 437.508 0.149 50 20 ICGD O=C(NNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)c1ccc(-n2cnnn2)cc1 918779079 ACUXTSJLXJORPS-UHFFFAOYSA-N 440.386 0.407 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1O 919755822 JSCNYZTWSLSSTR-FQEVSTJZSA-N 430.392 0.768 50 20 ICGD CCNC(=O)NNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920857590 UXIPEHKEDXWTAD-UVTDQMKNSA-N 425.449 0.691 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3ccc(C(C)(C)C)nn3)CC2)cn1 1319053005 GFBYAKXACHYRSX-UHFFFAOYSA-N 436.542 0.987 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 1336972865 WAVXMPIJGUXGIG-CQSZACIVSA-N 430.486 0.762 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cc1 1343533164 BEUATYJBTIZLRG-UHFFFAOYSA-N 427.504 0.910 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1783880390 DRLMUIWVQDRXPL-YRISNDGFSA-N 434.924 0.836 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(cnn3C)c1)CCO2 1783934713 KOJWXZMGGLGEHB-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C(C)C)n3)[C@H]2C1 1785212166 CREUBWLKPDDBDF-XQLPTFJDSA-N 428.917 0.969 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)ncn1 1785645164 KGFIFWPPFXGUOU-VDUILEQBSA-N 445.245 0.459 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cnccc4[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786983871 CIBAYXPJHSBHQM-XERREHJYSA-N 448.288 0.150 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](Cl)COC)C[C@@H]32)n1 1787637935 NYNYKBTYHQOFCO-JKQORVJESA-N 428.917 0.377 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1791253504 DDQSHMQBJGIDPH-QQCJEOGWSA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 1794510876 UKDNPRLRKDNGRG-XOIINTDNSA-N 435.550 0.597 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795493516 XTPXUVDVFAPAQW-LXTVHRRPSA-N 433.299 0.904 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2)c1ccc(B(O)O)cc1 1795732637 FMXHKBDZCUOIQN-RMFSNUHRSA-N 434.301 0.301 50 20 ICGD Cc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795736987 QTNUFZKMSRGYGM-MGGAXMQQSA-N 440.330 0.653 50 20 ICGD COc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739738 HUSDLEMXCIZBQZ-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD Cc1nc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798314014 NJOBEBQZYFILDY-IVWMJMPLSA-N 442.451 0.045 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1F 1799527352 DVMYPCAZHVLMJT-KSPBDQMDSA-N 443.435 0.047 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1800971114 QDWSWGOOFOVAHF-LMWOUKEDSA-N 441.941 0.485 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804322038 KTNYAQJCLFFFMF-PXNSSMCTSA-N 447.256 0.557 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374851 KFAXMXBDJJJAOK-NQIIRXRSSA-N 447.304 0.735 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)[C@@H](F)Cl 1808308600 MFPSGSVDLMIDNQ-BHYGNILZSA-N 446.932 0.352 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976635 LVECNMQKPLXDPG-UHFFFAOYSA-N 439.296 0.988 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)[nH]1 1810294339 JLSLYHZGSVDACE-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2)c1ccc(B(O)O)cc1 1815337717 WJRBOXSQUBLKOM-LLVKDONJSA-N 429.292 0.214 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cccn1 1817475438 PJFPTQCBDWQWEY-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004922 WUTAPBHRPQASEA-OPVBNTEQSA-N 436.307 0.338 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1826087719 JQZPBIILNIWJJM-CNRHGSOZSA-N 449.581 0.900 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1830370810 YVRSAFRBIBGFSN-RTBURBONSA-N 434.917 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(O)nc2O)CC1 1831871559 UIPUHKCUIWWJJF-MRXNPFEDSA-N 448.524 0.494 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836458 NBCAYTXOUKOGGM-SJCJKPOMSA-N 443.298 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834955867 QLJCVKUZBALOPI-FXAWDEMLSA-N 426.897 0.776 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1837588646 BDOJGUXIZAGIGA-GOEBONIOSA-N 433.278 0.408 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1837710313 UQWTVNHBVDPRCR-FQEVSTJZSA-N 437.569 0.768 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837715353 LWIGIMMUJFFOFN-FQEVSTJZSA-N 438.601 0.904 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838724657 UJFJTTHPVZZPHI-QGZVFWFLSA-N 440.928 0.496 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083320 QDBCGANFRZTEKF-PGSNGQOISA-N 431.892 0.378 50 20 ICGD O=C([C@@H](O)c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199822 VKVKRGBOKSMHPF-MPGHIAIKSA-N 445.285 0.867 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372915 KYZBZRCADQWGIX-DJJJIMSYSA-N 428.869 0.891 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840031813 CSXILCNNZXYKND-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840064343 GQZDVSIRGPSXBV-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012211 PFQVAUKVQTZDDO-UHFFFAOYSA-N 441.224 0.853 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)co1 1843014249 PTFVZDWTLKCKHJ-UHFFFAOYSA-N 426.354 0.635 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1cc(Cl)ccn1)C2 1844264710 YRIYKMPYRDQJIT-UHFFFAOYSA-N 444.879 0.630 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cncnc1)C2)NC(=O)NCc1ccccc1 1845038449 CRXPUGFKIPSHTH-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1O 1845556641 BHDMNPHXHCEHRM-UHFFFAOYSA-N 431.493 0.541 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CBr 1847498373 DBJATCUBEBXPMI-KJEVXHAQSA-N 433.299 0.714 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OCC(N)=O 15663471 UNZZTOYZVLQXLM-INIZCTEOSA-N 431.401 0.169 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 25261537 HJPUNYIXFAYKSK-HNNXBMFYSA-N 432.502 0.581 50 20 ICGD O=C1N=c2ccc(F)cc2=C1NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 38181737 CYIFVVJDGOPVRA-UHFFFAOYSA-N 430.461 0.203 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)N1CCN(c2ccccc2)CC1 725872401 WFULBUFAWYXINM-INIZCTEOSA-N 428.493 0.551 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2=O)cc1 726523152 CQXZDRDNQPYDKY-OAHLLOKOSA-N 449.467 0.752 50 20 ICGD COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728381205 SVLLPZFUHBNDBB-LBPRGKRZSA-N 439.519 0.259 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2c(S)nc3ccccc3c2=O)C[C@@H](C)O1 732261916 PBTVVGHTLQENJF-OKILXGFUSA-N 433.534 0.722 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734239925 ZXUPFJCCRMKWIZ-GFCCVEGCSA-N 433.465 0.835 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(O)c(Br)c2)c1 742033265 KFQUJQZFWQYMQH-UHFFFAOYSA-N 443.279 0.875 50 20 ICGD Cc1ccc(-n2[nH]c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2=O)cc1 742239714 BSDIFIISXQWIHA-UHFFFAOYSA-N 428.474 0.842 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3O)CC2)cc1OC 746456962 GOHYQDOGKJFYPN-UHFFFAOYSA-N 442.472 0.628 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 748700181 XORXUNQPZQDYLW-UHFFFAOYSA-N 445.314 0.876 50 20 ICGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 750288776 YEXCWGPCQIBOJU-NSHDSACASA-N 449.327 0.826 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(C)(C)c2ccccc2)n(C)c1=O 754081056 XJYNPUKUSAYXTN-UHFFFAOYSA-N 426.477 0.339 50 20 ICGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 756827149 PKYRDBMBKWBWEP-UHFFFAOYSA-N 437.460 0.561 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 757796315 MFDWHOQXDCBAQL-PBHICJAKSA-N 437.570 0.127 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 758957558 OQIWZUYWFOBWNX-UHFFFAOYSA-N 428.854 0.597 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1c(F)c(F)nc(F)c1F 763015345 ZIYWADLSGKQRJS-LURJTMIESA-N 435.359 0.547 50 20 ICGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccccc1NS(=O)(=O)c1cccs1 763272166 GJGGEAKNVWJXEI-INIZCTEOSA-N 449.558 0.700 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccn2)ccc1F 763464492 SZDJPBFPIFDUPX-UHFFFAOYSA-N 437.453 0.697 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 763624268 LNOWYCKNIXSTFL-UHFFFAOYSA-N 439.428 0.212 50 20 ICGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790272 HJMJXFHFKZUHRG-UHFFFAOYSA-N 437.412 0.510 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 763823780 LIJSBENKHVLVIG-KRWDZBQOSA-N 439.472 0.276 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC 763917566 XYIUDYYBOCVFDR-UHFFFAOYSA-N 439.432 0.859 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccc(Cl)c1 764345893 ZWWYSDAQQQFSPQ-YJBOKZPZSA-N 429.864 0.832 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ncccc3C)cc2)CC1 764385874 OESSFTYCQHBKFI-UHFFFAOYSA-N 438.488 0.567 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 764394145 XFTNSXYFEAYOHH-UHFFFAOYSA-N 437.499 0.977 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 764401236 USZHBOIHGAJFNK-HNNXBMFYSA-N 434.493 0.840 50 20 ICGD CC(=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 764819136 OXMIBYAIMYGWFS-UHFFFAOYSA-N 432.488 0.961 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)n[nH]1 765591946 FLYYPQALOYKORP-UHFFFAOYSA-N 433.446 0.802 50 20 ICGD CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 770248047 RGEMIVVLOQGPKW-UHFFFAOYSA-N 446.498 0.722 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1)NC1CCCC1 772391392 OWLQECKUWKIQFN-UHFFFAOYSA-N 437.460 0.908 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1cccc(O)c1 778284684 VYCDFVWPVQPUKL-UHFFFAOYSA-N 425.489 0.482 50 20 ICGD CN(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C(N)=O 778417476 UZPCOOMKIOCYIH-UHFFFAOYSA-N 425.511 0.353 50 20 ICGD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 782117453 OKBPCWMBNBFTKP-UHFFFAOYSA-N 444.492 0.752 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1Cl 785116382 JJEWCDADZDFWIW-UHFFFAOYSA-N 437.888 0.305 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)n1 785225109 DBCXOZRRXLQCIY-UHFFFAOYSA-N 435.510 0.800 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(OCc2ccccc2)c1 785992393 ZZFFBXPTJCMKPC-SFHVURJKSA-N 429.429 0.776 50 20 ICGD Cn1nccc1COCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 786392249 PRVLPIVKCQLHOD-UHFFFAOYSA-N 434.928 0.555 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1Cl 789371793 OOUHEECXOYTZGJ-NSHDSACASA-N 428.898 0.540 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 792014859 OFHODJDINYOIFR-QGZVFWFLSA-N 434.493 0.917 50 20 ICGD COc1cccc(C2=NO[C@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)C2)c1 792018337 VTYAENCUUKIBQN-SFHVURJKSA-N 446.485 0.900 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 797539354 XAHMCMRFYCWRSQ-UHFFFAOYSA-N 436.472 0.808 50 20 ICGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 798346925 VHLUFHMHLFQIIY-MRXNPFEDSA-N 447.517 0.322 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNc2cc([N+](=O)[O-])ccc2Br)cn1 800616354 LGLGYCXJSOXDNX-UHFFFAOYSA-N 433.244 0.512 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1ccc(Cl)cc1O 802484554 AKDQVGGOOWVIDL-UHFFFAOYSA-N 425.850 0.815 50 20 ICGD COC[C@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 807554048 PWAQSSMNUJBTHC-QZTJIDSGSA-N 434.559 0.784 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)c2)CCN1 812980605 XOBPCSNEXNECPG-UHFFFAOYSA-N 434.456 0.499 50 20 ICGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2C)c1 815691423 PNSAYRVIOQXXLS-HNNXBMFYSA-N 436.476 0.738 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 864018280 YEXKSDSSHCARJO-IXDOHACOSA-N 444.513 0.991 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)ccc1Cl 914750160 XIOGEDRSLILOOZ-MRVPVSSYSA-N 442.803 0.159 50 20 ICGD CCCN1CC[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 919796628 HUHGBMCXHBPCNY-INIZCTEOSA-N 425.555 0.678 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1cccnc1 919806960 XCLPGUORPSKDEX-AWEZNQCLSA-N 433.446 0.852 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 919887848 ICCDZOAKOXYBFC-KOLCDFICSA-N 449.316 0.864 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 919890051 ZENJQPCCAPFQGW-WPEHCOSPSA-N 437.522 0.737 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)NCCc1cccs1 920861949 ZUJBSUIMZOJWBN-UHFFFAOYSA-N 434.522 0.894 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2cccnc2N2CCN(C)CC2)cc1C 921248404 XYVAWTMJGJTPGN-UHFFFAOYSA-N 439.520 0.919 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 921301804 LDVCCERLFJMCSH-CYBMUJFWSA-N 428.511 0.676 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 1116085006 UONZRQPREHNKJQ-AWEZNQCLSA-N 432.543 0.595 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccn(-c2ccncc2)n1 1116787643 RKEKYJQTEWZBTG-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1C 1318841545 KUSYXCPJMRPYLK-UHFFFAOYSA-N 444.510 0.768 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)cccc1Br)N[C@@H]1CCS(=O)(=O)C1 1319280091 IYEVGBALPUCQQT-SSDOTTSWSA-N 430.277 0.268 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371148 ITANHKLLPHAJHQ-IIBYNOLFSA-N 433.509 0.238 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779476965 NWFGWSVANLPFAL-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1779558401 UICOVDSHEROTTF-SQGPQFPESA-N 443.617 0.503 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780954286 WRJJNRBCWPKXRS-UGSOOPFHSA-N 436.310 0.885 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)nc2nccn12 1781309804 LJZLHHWQXQSHOO-JXXFODFXSA-N 435.912 0.765 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1ccc[nH]1 1781326990 VWWXPBMBNMMPOU-RHSMWYFYSA-N 445.289 0.655 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOCC1)C2 1782170683 SSZCMTBZYFJOBE-MBOZVWFJSA-N 431.961 0.476 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1)N1CCN(C)CC1 1783537099 KITJLVBZSRKZOX-RVKKMQEKSA-N 431.375 0.236 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1783882821 SBICBGRDDXLKQO-KPZWWZAWSA-N 440.909 0.453 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21)[C@H](O)CCl 1784086494 MNLHUPSHFVUJJE-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460515 VCRIOEJGRCYMSZ-DYVFJYSZSA-N 427.299 0.859 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CC[C@H]3CCOC3)C2)C1 1784812560 IJZVENCYOZOVGB-HRJSYZDASA-N 445.520 0.767 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786985225 SXEKNBLRFZJKFO-BVSLBCMMSA-N 447.300 0.340 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1790960500 MDTCBJJDOLZDHE-QXKUPLGCSA-N 448.358 0.291 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791281134 VFBITLZLHYWEKF-NTIKPUAMSA-N 449.342 0.613 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1cccc1 1791511486 JECRFLKGUDGNRX-LQJIQPLVSA-N 425.294 0.022 50 20 ICGD COc1ccc(OC)c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792976659 INUDXRXXNGOMFP-DOHHPOSVSA-N 440.924 0.826 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1F 1792977701 ZZMIDZJVANUDFJ-WMEBDMIVSA-N 448.850 0.785 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799147360 FAISTJLQXWGMJR-VPKNTQAGSA-N 442.354 0.762 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799346493 AOWWCOGXHWDCQO-HHHUOAJASA-N 425.251 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccc2[nH]1 1799895124 HSHAUEBKTMQYRM-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1800334185 KRBWMZUPKBOTMZ-XSDCOXNMSA-N 433.415 0.130 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803682250 YSGAHUJFHQDVOE-QKYXUNIQSA-N 425.294 0.364 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)c1 1805518355 OJUMSKKOPFZODE-MRXNPFEDSA-N 443.953 0.930 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)no1 1810978208 MSGSCIJRJMSMQH-BEFAXECRSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811459274 MJQLZLQQJDZPJY-DYESRHJHSA-N 446.272 0.495 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnc1 1815003937 ZULHGNQGCBRPDS-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361970 WNTKQVQHWWVYAO-IAQYHMDHSA-N 429.307 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc[n+]([O-])c2)n[nH]1 1816059015 GGSOWUVQZJRSAU-INIZCTEOSA-N 429.481 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSC(=N)N)[nH]n1 1822413787 BAWBJHVNJUOZLO-CYBMUJFWSA-N 438.558 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1 1822414590 IFESCHAREOMEMX-MRXNPFEDSA-N 429.481 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(N)s1)CC2 1826085311 LNKZQDRKCHUQGS-SECBINFHSA-N 437.551 0.781 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)NC=O)CC1 1830327805 CKYZLHNVXBENCU-GBYGFOPDSA-N 444.536 0.875 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1C 1830537660 MBCKKUAMQRIJAF-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873248 FLXXTHSTUJQJRR-PKOBYXMFSA-N 447.584 0.907 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832611277 WEYKUZFSXPQESM-XLIONFOSSA-N 425.913 0.379 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n1 1833308277 OVTAXKGHMXVEKN-SFHVURJKSA-N 425.961 0.671 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833637758 UURKWCUFECKNTI-RDTXWAMCSA-N 449.838 0.353 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1834408522 JWUDMYHHQDWCLI-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1837713128 JCXCBNMLLMPKBK-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839146790 WMXLGDREFRGWPB-KUHUBIRLSA-N 425.869 0.898 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155318 QUZQRMJRUXFPOA-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716017 KKDFNFMXLMSLFN-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839840620 FLAUJEIGJHTJMD-KXMYUJBBSA-N 445.520 0.789 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1840031173 HUTNSDHONRQWQY-MPGHIAIKSA-N 443.342 0.759 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840031218 IXPFYNQMZXSJMU-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150157 GOOMJMXWZVOHKT-HNAYVOBHSA-N 433.933 0.003 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccc1 1840186687 CULZDPWWOBAUMX-FDDCHVKYSA-N 446.548 0.620 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448777 IZESBVOLGUQYAH-PBHICJAKSA-N 444.330 0.298 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841690578 OSDVMSJFIGLSCC-RRFJBIMHSA-N 445.944 0.814 50 20 ICGD COc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1842005551 QNQTYTCBVMWPCX-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD O=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)=Cc2ccccc2N1 1843011743 NXMFGKQSQAZYJK-UHFFFAOYSA-N 445.284 0.609 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015323 DGPGEPPKRJELJV-KRWDZBQOSA-N 445.325 0.487 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(C)c1 1843015564 PLCSJONZONIEPR-UHFFFAOYSA-N 436.273 0.592 50 20 ICGD C[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)NC(=O)OC(C)(C)C 1843378531 BNYQJPRSDSGPGQ-OAHLLOKOSA-N 445.325 0.487 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386365 DRHCOHKWEHIUMA-MRXNPFEDSA-N 449.552 0.479 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N(C)C 10258512 OLCAZMOBKYHMPB-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)c1csc(N2CCOCC2)n1 14324807 BPTXEPKDZUFDFX-UHFFFAOYSA-N 448.896 0.748 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 108112881 ZJVYCOMHONYZHF-QGZVFWFLSA-N 438.444 0.365 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCN(C(=O)OC)C2)nc1 726717324 RKWBRWXJWBWLRW-CYBMUJFWSA-N 428.515 0.969 50 20 ICGD COc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s2)cc1OC 729275615 QBRRTLFBHKFMCG-SNVBAGLBSA-N 442.519 0.834 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 729395139 LIUVDBRPEWCLPW-QGZVFWFLSA-N 447.473 0.923 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 730514710 DJIAPHDSCKNDKM-SFHVURJKSA-N 433.534 0.889 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nnnn1-c1ccccc1 730577905 FEASJXJOVXIGKX-UHFFFAOYSA-N 443.493 0.408 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731616816 CBDOYEUJBVUXQG-NWANDNLSSA-N 426.495 0.220 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H]2CCN(C)C2=O)cc1 737995591 USKLATICVMXJQE-VHUCWBOISA-N 436.472 0.688 50 20 ICGD CNC(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 743335537 ZAGAWTQIKRFZLP-UHFFFAOYSA-N 431.518 0.739 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 746386100 MYCACPPXIFZNFC-QZTJIDSGSA-N 432.521 0.399 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc1OC 747318886 FYPNUBRSVBGKMY-KRWDZBQOSA-N 426.473 0.880 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCCN1c1ncccn1 747413283 MLLJEYWUCGUEJV-MRXNPFEDSA-N 432.506 0.610 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748519283 YJMSVOBJVGTBFF-UHFFFAOYSA-N 447.457 0.768 50 20 ICGD N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 750040155 TXJQAKRDLFPYCI-DUZKHZIGSA-N 440.503 0.594 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 753310479 SVPQGCQZWYUGGJ-UHFFFAOYSA-N 433.487 0.307 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 757748381 FWMVUEDPAQRYNY-UHFFFAOYSA-N 429.462 0.716 50 20 ICGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 757796339 MFDWHOQXDCBAQL-YOEHRIQHSA-N 437.570 0.127 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 757913464 WMVAWWRYALEMSD-VTEUUUEMSA-N 431.497 0.503 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 758957265 MZYHGEIWZOLBTM-UHFFFAOYSA-N 442.423 0.853 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ncccc3[N+](=O)[O-])c2)CC1 759290163 CJEURPRAIHLLOF-UHFFFAOYSA-N 448.461 0.600 50 20 ICGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 760338919 HEZUBAUGDBDJOF-UHFFFAOYSA-N 426.472 0.875 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 763441673 GEESVLZQAJVBJD-UHFFFAOYSA-N 428.405 0.535 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 763454262 FNIIZFWDSVAYCQ-UHFFFAOYSA-N 442.356 0.991 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 763530240 GBQVKHNULOOIPO-UHFFFAOYSA-N 442.497 0.910 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1C 763679242 JBZYXNOBOUUSHO-UHFFFAOYSA-N 441.423 0.892 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763840540 MNJGYCDTOKMZRP-UHFFFAOYSA-N 434.399 0.966 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 764000093 ZTZFLWGVSDTKLQ-UHFFFAOYSA-N 428.493 0.496 50 20 ICGD CC(C)(C)OC(=O)N[C@@](C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 767685465 WBXUFGHQBGXBIF-IFXJQAMLSA-N 440.522 0.944 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ncn(-c2ccccc2)n1 768460802 QJVDBIZIAXAGKN-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCN3C(=O)NC4(CCCC4)C3=O)nc21 770965746 LZQRJMKSSNMBAG-UHFFFAOYSA-N 430.469 0.985 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 792799272 YPDMAFXCBBHIMT-AUUYWEPGSA-N 435.502 0.421 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 797708685 AILTYFATLOWUIU-SFHVURJKSA-N 438.893 0.951 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802117076 FEWBHUOJWWKBBV-GFCCVEGCSA-N 437.526 0.623 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1F 802572057 JYDVOHVVJGLSEM-UHFFFAOYSA-N 431.355 0.728 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1OC 805751895 RTNCSJYUEASFMU-DHMKHTPVSA-N 435.506 0.004 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 805769966 ZUNMRRWKXSCXQH-ZDUSSCGKSA-N 440.444 0.781 50 20 ICGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1nnc(O)c2ccccc12 807540432 UQWHNVOYUBGACE-LBPRGKRZSA-N 428.371 0.543 50 20 ICGD Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 809941195 XSSGDZTYOHVDCO-UHFFFAOYSA-N 433.412 0.922 50 20 ICGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 811631307 TVCDALICCURLEW-QGZVFWFLSA-N 436.534 0.801 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C 913155409 GTNHWZJIWJSVCL-UHFFFAOYSA-N 429.462 0.019 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1-c1ccc(F)cc1 915617729 YOPCDIIPUIDNQB-GFCCVEGCSA-N 427.479 0.606 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)c2ccc(Cl)nc2)c1 917747828 XVKJTQGIQTVMBF-UHFFFAOYSA-N 427.822 0.932 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(O)c1 917753345 HNDYZGIBTOSKDM-UHFFFAOYSA-N 425.488 0.765 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 920739067 UPPNQWUCJAORRW-BETUJISGSA-N 448.492 0.280 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1ccccc1CN1C(=O)CNC1=O 920930277 IVQFNJMNTLRDQO-UHFFFAOYSA-N 435.400 0.854 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 1317732612 XHOXJMBXLUBWJK-LBPRGKRZSA-N 429.445 0.399 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c1 1329669772 PUKGXIKWFUVDAW-ZDUSSCGKSA-N 437.547 0.654 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@H]3C=CS[C@@H]32)C1 1781537907 SPIQUMLYVLLHIR-FHTJZXIESA-N 436.578 0.748 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782221183 NBIKZPHBOYCBRP-BDJLRTHQSA-N 425.382 0.788 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236475 KXAOGBNPTWLSIV-HWWQOWPSSA-N 443.850 0.433 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)n1 1783534812 OZZLNEMLAQPUOR-CXAGYDPISA-N 429.315 0.756 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1783879994 DAGFRWMLNRZRTM-IQQYIDFHSA-N 439.896 0.840 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1783880745 KMKOSGABVVKQLW-YJBOKZPZSA-N 427.841 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1cnn3C)CCO2 1783934937 NFMZYYSFZPABPF-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21)[C@H](O)CCl 1784091888 FJAIWPPOWQXZKY-YTKSKTJISA-N 437.880 0.301 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3C)C[C@@H]21 1787508676 HIBYLTVVTUVUCI-ARQYOALSSA-N 441.492 0.147 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788616194 DOZMHDSVOLWTBO-FQUUOJAGSA-N 449.415 0.624 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1788764142 NBIRLVDBWQZKKV-VGWMRTNUSA-N 432.615 0.395 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771530 KWGSWZSQOAJKJO-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2)[C@@H](O)CCl 1792981420 YJYRPQOPCDFPDR-WAYYCVMKSA-N 428.276 0.414 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)cc1 1799298224 UQIMAFYTOFJMGW-HEFCWWFNSA-N 438.289 0.079 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2)[C@@H](F)Br 1799349256 VGNWMHPLPZYIOM-INTNWOOBSA-N 430.230 0.704 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3c(c1)CCNCC3)C2 1802338542 NKWHYEFDRRTSQD-REPLKXPHSA-N 442.564 0.395 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1802883134 JNXLMSRHSCOUCT-DBXWQHBBSA-N 446.552 0.375 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804086840 BUJANNSOVXMIHU-RHSMWYFYSA-N 435.912 0.904 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363574 AHUCPKZBFPUZRA-PAXLWEDBSA-N 437.305 0.696 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365766 WGTABXORGIOEAI-RXVVDRJESA-N 438.337 0.469 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccno2)[C@H]1c1cccnc1 1810299561 SKIVJYVCAIOWCD-KSSFIOAISA-N 435.444 0.702 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)cc21 1814871933 DPUATQRKHRNNOW-HIFRSBDPSA-N 449.899 0.645 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873250 TYQPWVCFVXKGGI-NUEKZKHPSA-N 426.949 0.637 50 20 ICGD COCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795575 OTQSEFMOQZBGEN-LLVKDONJSA-N 448.505 0.030 50 20 ICGD O=C1CCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826726307 XAKYYVRBDHCTFF-HXUWFJFHSA-N 441.337 0.222 50 20 ICGD O=C([C@H](O)c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049599 XBSVSZJJVHMRAJ-PZJWPPBQSA-N 440.305 0.926 50 20 ICGD O=C(CC[C@@H]1CCOC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827318567 VMMWYAHFZWKBQI-CZUORRHYSA-N 443.334 0.865 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1830236240 QONIMTDJBFIUQZ-BHIYHBOVSA-N 429.005 0.842 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830268432 KXTHOZVNZLOWBC-FXAWDEMLSA-N 446.878 0.954 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537131 BTXZRSVSRBEEPL-CRPWZZHVSA-N 447.326 0.593 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830537994 SYUCNWYXNITPJN-RHSMWYFYSA-N 429.315 0.371 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731826 NXSWHCMMEHTDFS-VLIAUNLRSA-N 442.896 0.374 50 20 ICGD Cc1cccc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)n[nH]c12 1830736901 XSRASJIZHQDWFS-MGPUTAFESA-N 436.896 0.541 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831880624 BKHXOHJEMGNWPT-JXFKEZNVSA-N 425.913 0.863 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833766829 WXUKFASGAAZPSD-CABCVRRESA-N 427.933 0.174 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n[nH]1 1833824124 CVGKVCSSMUFFDH-MSOLQXFVSA-N 447.319 0.919 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1834164823 FOENKSBVNNUOIL-BBRMVZONSA-N 433.278 0.489 50 20 ICGD O=C(Cn1cc(Cl)cn1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834812401 ZXIZHJSAKVBFMM-INIZCTEOSA-N 432.352 0.708 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835406280 YFJOMHFHRMRNTQ-KSSFIOAISA-N 446.342 0.096 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836881019 ZDTYDFCYIFZFCS-HXUWFJFHSA-N 448.394 0.933 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447243 WEOBONMFWFJEMI-OYABHWKLSA-N 445.358 0.698 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837813359 DQAAOPAJXXGGEH-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153422 HTTLWLMNWDLKNN-FHLIZLRMSA-N 448.351 0.607 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199038 HORJSOJGFHTJDQ-MFKMUULPSA-N 447.204 0.243 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839242815 LOQLMDDPGWYARX-APWZRJJASA-N 428.917 0.279 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839963641 QUVPQUZWWUVEHJ-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1840150000 CTDKVTGPVQYLAI-PXNSSMCTSA-N 443.928 0.934 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1840152767 SKIBCCWOWOCLMI-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840153286 JQBUCEFROKQKOY-GQIGUUNPSA-N 440.928 0.592 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840153748 YXHABHUMQYFRAX-YWZLYKJASA-N 436.896 0.887 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270906 OCKOSSWXAUBFBO-WBOJAVRRSA-N 437.306 0.684 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1840406347 UXVRGLAVFAIYCR-JKIFEVAISA-N 447.305 0.899 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2c1 1843013931 FPMBBXPOUAMBQP-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c3nncn3c2)C1 1844227252 YULQJOKINJURGW-UHFFFAOYSA-N 433.900 0.573 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1846175332 SGGONVBQYOTWPJ-VXGBXAGGSA-N 434.331 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1847655827 ROOZRYFPAGEHBD-KNULBASVSA-N 440.416 0.715 50 20 ICGD O=C(NNS(=O)(=O)c1cccc2nsnc12)c1csc(N2CCOCC2)n1 19108236 ASEVEQMSXABKNF-UHFFFAOYSA-N 426.505 0.608 50 20 ICGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC2)nc1 728599117 XKEZLEMVRGEQPS-UHFFFAOYSA-N 434.403 0.959 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)C[C@H](C)O1 728852139 NPXUZYYJLAWYTE-GJZGRUSLSA-N 432.502 0.883 50 20 ICGD CC(C)CCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730568946 HMZSQUFYPKDVDV-UHFFFAOYSA-N 444.517 0.484 50 20 ICGD COC(=O)c1ccc(OCCNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 731284006 PLHZAYVGJNBIBQ-UHFFFAOYSA-N 435.458 0.900 50 20 ICGD O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732325151 XSWIVBBUASIUMW-GHMZBOCLSA-N 432.311 0.356 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 733125419 GVYFSWSHONILFQ-HUUCEWRRSA-N 440.504 0.027 50 20 ICGD CC(C)C(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 733948202 RRQKVLNTCFKWRB-UHFFFAOYSA-N 425.401 0.847 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1C 736765954 FVSONMOBAUHZPU-UHFFFAOYSA-N 431.517 0.946 50 20 ICGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478354 OLTBSYKBRVYDHM-LUHGQXDZSA-N 437.452 0.917 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 744394992 NMSHIOIFTJYEMH-CQSZACIVSA-N 427.546 0.533 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(CCNC(=O)c3ccccc3F)CC2)c1 744403929 BCBHSVCJXRECHR-UHFFFAOYSA-N 441.507 0.943 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccnc(N2CCCC2)n1 744622291 ZMMLZQMUDQIHTH-UHFFFAOYSA-N 432.506 0.855 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cc([N+](=O)[O-])nc1C 744653039 UCLTWGOGOISNGM-UHFFFAOYSA-N 425.785 0.766 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c2ccccc2c1=O 746349760 ZLPCIKOAHQFRIH-UHFFFAOYSA-N 429.458 0.280 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746757288 VDKWANDLOSXBPX-CYBMUJFWSA-N 430.490 0.877 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 750662564 XHOMBNSNLIDZTP-UHFFFAOYSA-N 427.508 0.525 50 20 ICGD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751363882 XWUBMYXQBHMPFT-JQFCIGGWSA-N 436.534 0.504 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 753671374 PZIJYBSTOATINM-SNVBAGLBSA-N 449.327 0.683 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cccc1S(=O)(=O)NC(C)(C)C 756683575 SEZRIIIAXCPABS-LBPRGKRZSA-N 446.551 0.659 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1cccc(Br)c1 758040183 OKXLVZZHMPCRDL-SECBINFHSA-N 444.311 0.642 50 20 ICGD O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758528885 ZEAYYUQTWHCOBR-BDAKNGLRSA-N 436.250 0.270 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 758742774 KYIRIUKCVADJAV-UHFFFAOYSA-N 428.511 0.710 50 20 ICGD CNC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 758841448 XGJXAUPNDLBWJX-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD CC1(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)OCCO1 760157506 YDUZPERLBYERFV-UHFFFAOYSA-N 426.495 0.568 50 20 ICGD C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 760196580 ZBKRKKYRPFXEEQ-LSDHHAIUSA-N 440.522 0.467 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)C2)nn1 762579773 ULVJPQPPQDXRQT-MRXNPFEDSA-N 438.448 0.942 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 763550734 GDTANVBPBQAVLF-UHFFFAOYSA-N 438.396 0.464 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCc3ccc(F)cc32)c1 763719250 WIFZAJNOGSFTQG-UHFFFAOYSA-N 448.476 0.816 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 763732027 CPPPQBHUMKDQOM-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2C1=O 764204699 SDGSPIUGZNOVIE-UHFFFAOYSA-N 447.492 0.706 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764265661 DRTASCQYYBQGLM-UHFFFAOYSA-N 427.421 0.696 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(O)c(Cl)c1)S(C)(=O)=O 764345227 CZSNQKXSFBAUHQ-UHFFFAOYSA-N 440.865 0.841 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 765319518 YOEFSJKZZYHHHQ-UHFFFAOYSA-N 433.465 0.776 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 767323758 YMDVXYVVMGJKFC-HZPDHXFCSA-N 440.522 0.845 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@H]2CCCC[C@H]2O)CC1 767937185 GQRNFHSAYFPWLO-ZWKOTPCHSA-N 428.497 0.374 50 20 ICGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 771007449 YQVJLPDEFSIRAS-HNNXBMFYSA-N 448.567 0.115 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1 776313003 VQJIQWVGDGRWQE-LBPRGKRZSA-N 436.412 0.251 50 20 ICGD O=C(CN1C(=O)COc2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 777778138 YKLOZFWSKVFMKT-UHFFFAOYSA-N 432.296 0.238 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)[C@H](C)O)cc1 779522535 UFJXFNQEBHSNJE-SUMWQHHRSA-N 445.501 0.413 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ncncc1Cl 782158827 DVWZZTIFXOYNBS-UHFFFAOYSA-N 441.901 0.528 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 784004436 XHRCXFYEVTXRAZ-UHFFFAOYSA-N 433.421 0.288 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802067089 LAEMAPQVJICNED-UHFFFAOYSA-N 432.462 0.851 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)COCc3nnc(C)s3)CC2)cc1 802763151 RSOVUMLBMHPRGC-UHFFFAOYSA-N 432.550 0.637 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 812733454 SLMILKVRSDINOW-RDJZCZTQSA-N 437.566 0.713 50 20 ICGD CN(CC(=O)NNC(=O)Cc1cn2ccccc2n1)S(=O)(=O)c1ccc(Cl)cc1 913471598 KGAAUTFZPIVUFV-UHFFFAOYSA-N 435.893 0.998 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccnn1C)c(=O)n2Cc1ccccc1 914559462 NVRUVXKDEMGKOZ-UHFFFAOYSA-N 434.460 0.312 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 916105135 PLSUDRQJLJVVRV-UHFFFAOYSA-N 447.878 0.397 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nccn(C)c2=O)cc1Br 1330776675 IMLPVMNBHQXBMY-UHFFFAOYSA-N 430.284 0.550 50 20 ICGD Cc1ccn(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780409370 AEKFUEPHAOISJA-OAQYLSRUSA-N 426.477 0.089 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780953326 YWURXAFSLLGEOV-NVXWUHKLSA-N 440.273 0.792 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781998170 OWHVISCEPJMPKF-HPTBWKMGSA-N 433.347 0.731 50 20 ICGD CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1783933778 YDXATYPCFZCCRN-DYESRHJHSA-N 425.574 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1783936810 UUBDEYOTLAGOSW-IBGZPJMESA-N 439.900 0.257 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784617294 CVOLMDZAZNLZQC-KFGODFMUSA-N 446.928 0.868 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 1784773974 UOUARRSOYKVOEM-BQNPTPDXSA-N 432.525 0.291 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1785297061 VHTRREUYSCXOKN-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1786783858 QZSQFOZYNPXMIZ-QXKUPLGCSA-N 446.976 0.693 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786981079 POJKWIBWOCTMSA-QRTARXTBSA-N 448.737 0.988 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1O 1790013602 JHLQUTDCVWCXDR-LNLFQRSKSA-N 432.521 0.667 50 20 ICGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791291060 JTPABCPSKUERIE-ZVZYQTTQSA-N 433.509 0.057 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccs1)c1ccc(B(O)O)cc1 1794392953 JPSUXQBGLUIPGV-BJWYYQGGSA-N 441.318 0.110 50 20 ICGD CC[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795741243 OBSQIODCJSPHAM-XSCDPQDWSA-N 428.338 0.786 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)C1 1796368244 GXVKZIRWKDBSEO-QEAYJNAZSA-N 449.907 0.482 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1800762711 ZFSAPHFSMIXNQK-RKOFLFEYSA-N 425.323 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1800982699 JPENCWOVYWKGTM-MWTISTBLSA-N 437.924 0.648 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br 1801964054 WSHMVCLYSRDFCM-FRDLFTECSA-N 433.299 0.903 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1803537509 JBCMEDHQAOTGGK-QUCCMNQESA-N 437.305 0.508 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2)C(C)(C)O 1804433955 CLECNPAFGGHRAD-AIEDFZFUSA-N 447.960 0.889 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363341 DDZLFMJCDUIRCB-YZGWKJHDSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371205 RCGLTTOVKLZYLZ-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374231 FXUUYJNSBDKSRG-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809974886 GFABDJAHBOFTMF-SFHVURJKSA-N 438.337 0.744 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc4cccnn4n3)CC2)C1 1809978040 PSBONWDPAPFXQT-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1810563532 FFEUVPHANYDRQY-VSZNYVQBSA-N 440.928 0.492 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813009510 QLUNAONYHHJLSM-NYSBEXSLSA-N 437.305 0.696 50 20 ICGD COC(OC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815034288 CJLPIDKOGRHUSD-CQSZACIVSA-N 431.453 0.333 50 20 ICGD CC[S@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344093 HFWUJZUETQVQRS-KJEZJMDVSA-N 449.363 0.207 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCBr)[nH]n2)C(=O)N1 1815666228 WFRRMWDPVURDCW-LLVKDONJSA-N 441.286 0.739 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470392 QJPYGNPROGJGFV-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413936 IGSYFZDKESBVJY-HNNXBMFYSA-N 435.529 0.547 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1826004983 XIWIULHZSMABQI-OUJBWJOFSA-N 435.955 0.886 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056596 MWQCLVGZYHMCBO-PMACEKPBSA-N 441.337 0.221 50 20 ICGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544379 WWBJKNMVJBWNFS-GUYCJALGSA-N 434.331 0.000 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831189115 VDDJJPUFRPNFCD-FSPWUOQZSA-N 438.352 0.594 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)[nH]1 1831840620 DFRFZPAPSSKWRU-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)o1 1831870751 DVDIDNWJIKIHNO-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832723713 WJRGFDPHTAGAJE-HNAYVOBHSA-N 446.331 0.988 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cccc1=O 1833870227 STFFHONKDQFYOP-SFHVURJKSA-N 442.310 0.240 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1834408929 KWPBAIRUTVKOPF-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835299673 QTRPEESKBLKRSO-VKJFTORMSA-N 445.285 0.867 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935328 OPZOAGZEZYDPDP-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837558345 FDJVRHQCXOUJSN-FPZJGVQBSA-N 427.885 0.706 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839144471 AUXFXBHDWZVRGM-LIRRHRJNSA-N 442.900 0.785 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839199598 QTDYGYMDJHKXDU-DOTOQJQBSA-N 447.305 0.500 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202758 OVUYSLFYQCLAQH-YAKREUKKSA-N 431.262 0.570 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)ccn1 1840033507 HVKOCBFWDOZXCC-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCCCC1 1840122989 HOSPNUWNJPNFKN-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840153245 IKKAROQMFNENRC-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840239295 KFDSZWOFWMBNQB-FXAWDEMLSA-N 428.888 0.733 50 20 ICGD CCOc1cnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1842200767 OVMPMTFOPWAKJN-UHFFFAOYSA-N 425.449 0.005 50 20 ICGD CC(=O)O[C@H](C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(C)C 1843416346 ZENVNYAZQBTGOR-QIWJOQEQSA-N 431.493 0.912 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1844691851 HTPKZQRWVJETCI-CQSZACIVSA-N 444.444 0.863 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563215 HTPGDRBRSZEYRO-RFGFWPKPSA-N 447.916 0.244 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)C(=O)NC2CC2)c1 18166903 ZUOPESPCLMFFPA-UHFFFAOYSA-N 427.552 0.622 50 20 ICGD COc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728384348 GTZOBAFRZYOLFJ-GFCCVEGCSA-N 439.519 0.259 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)c1 728958475 NCNOBNRYPJMKLX-UHFFFAOYSA-N 431.518 0.988 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc(S(N)(=O)=O)c1C 728985753 UBWWMOVDUPQLTL-UHFFFAOYSA-N 432.506 0.418 50 20 ICGD O=C(NNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 729339906 CUVHZBJLTISLNJ-STQMWFEESA-N 446.938 0.373 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CCN2)NNC(=O)c1ccc([N+](=O)[O-])cc1 729723503 YTYWWSMPBOFFRT-UHFFFAOYSA-N 427.373 0.967 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)Cc1cc[nH]n1 730103055 VVIXMHGYVLWLTF-OAHLLOKOSA-N 425.536 0.508 50 20 ICGD Cc1cc(-n2c(C)cc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)c2C)no1 730571856 VFGHDWBLMNICPU-UHFFFAOYSA-N 431.478 0.425 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1OC 731762034 XLLLCVSXWNGHAO-UHFFFAOYSA-N 435.525 0.981 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1ccccc1F 733044121 VNECPAPOTKMDEF-UHFFFAOYSA-N 438.481 0.512 50 20 ICGD CCCCCCN(C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117685 FYTQPKYUWUEJFB-UHFFFAOYSA-N 426.587 0.973 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c1 742300815 QJPSTLPIBDFOLA-YCPHGPKFSA-N 440.547 0.577 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2ccc(OC)c(Br)c2)cn1 743259085 PXZRMCNVZJJNIU-UHFFFAOYSA-N 447.267 0.451 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744505910 MGKLCTWAWDQSKX-WOJGMQOQSA-N 431.412 0.856 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744582073 NLOKTXJSWWZNCC-UHFFFAOYSA-N 433.486 0.840 50 20 ICGD COc1sc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1Br 746564833 MAFIXZZIZKOPJL-UHFFFAOYSA-N 448.324 0.554 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccncc2)cc1 747514803 IOGSNFOTPVTSGS-UHFFFAOYSA-N 447.517 0.232 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748112338 XBIFBCGMXVBORI-UHFFFAOYSA-N 436.943 0.425 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21 749220082 GXPDDZCEFDCDAN-UHFFFAOYSA-N 449.515 0.795 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)Cn1cnc2ccccc21 749837120 AOFBCNLRQVRQIZ-UHFFFAOYSA-N 427.895 0.877 50 20 ICGD O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)NNC(=O)C(=O)NC1CC1 750327545 SGRNXOYMMVDHBZ-HNNXBMFYSA-N 443.426 0.688 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=S)N[C@H](C)C2CC2)c1 751620483 VQKACGGBFMXKPJ-GFCCVEGCSA-N 429.568 0.173 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1OC 756487865 OAWGPUHSBGDKJV-OAHLLOKOSA-N 442.538 0.259 50 20 ICGD O=C(Cc1nnc(O)c2ccccc12)N1CCN(S(=O)(=O)CBr)CC1 758534418 GNYDOBYAOUUHGV-UHFFFAOYSA-N 429.296 0.704 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNc1nccc(N2CCOCC2)n1 762852492 NBKSXTCNGUZCOM-UHFFFAOYSA-N 432.915 0.450 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(C)c1 762972084 LNSCGDKQEHSXRV-AWEZNQCLSA-N 447.517 0.329 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc2Cl)CCN1 763561060 IBGOVTAVBPPPED-UHFFFAOYSA-N 433.827 0.815 50 20 ICGD O=C1CSc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2N1 763569493 ACUNTLXPOFAPBA-CQSZACIVSA-N 428.426 0.657 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 763645802 CBZQFDWCZNQVKR-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)c2ccccc2c1=O 763785133 GFUKKVOVGVDHMS-UHFFFAOYSA-N 446.427 0.397 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 764213215 UNIOVYWTHCHRAC-ZDUSSCGKSA-N 434.497 0.111 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 764225976 DGKLAYJISCRQNW-LBPRGKRZSA-N 446.485 0.312 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 764226616 JIICVWVTRUARRG-AWEZNQCLSA-N 448.501 0.427 50 20 ICGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)c2)cn1 764285350 BDUZZPSZBDBONP-UHFFFAOYSA-N 437.416 0.394 50 20 ICGD CC(C)CN1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766641631 IHEUCZKTIGWXSR-SFHVURJKSA-N 429.521 0.096 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCCOc3cc4c(cc32)CCC4)c(=O)n(C)c1=O 768483024 OEDRYSXXVOOUPR-UHFFFAOYSA-N 429.502 0.753 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc21 770955770 ORKUUABKOUFHAP-TXFQPVFDSA-N 425.449 0.537 50 20 ICGD CC(C)(CCCO)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 772628983 KWUPTJNARBCBQE-UHFFFAOYSA-N 442.538 0.450 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c1 779467036 BVJRANNEARNAHV-LLVKDONJSA-N 440.482 0.039 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779495558 KZOKZAHQTWHTTO-LLVKDONJSA-N 429.499 0.802 50 20 ICGD O=C(NCc1ncnn1-c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 787349240 XMYTYPKEDWUXQC-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD CN(C)CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 788014529 SXBMPLLCFIVULP-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 789585040 WBJORPGNAWMEJZ-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 790964363 VHRXFJDNJRYJPI-UHFFFAOYSA-N 432.458 0.917 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CCC1 793681661 IYRLZPAXTVCYSZ-UHFFFAOYSA-N 442.969 0.572 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C)n1 794089878 MAGSPCLXPVRPAQ-MRXNPFEDSA-N 448.501 0.393 50 20 ICGD COCc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 795293589 KPGJINVUMNZEAQ-UHFFFAOYSA-N 428.488 0.868 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1OC 795736390 ANXFMLNSORSRIV-GFCCVEGCSA-N 433.383 0.892 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)cc1 797370908 MBZMUOBDBBJMTL-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)[C@@H]1COc3ccccc3O1)OCC(=O)N2 797428051 NUPBSQDDCFJOLC-HNNXBMFYSA-N 435.414 0.176 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 802111361 HJDBEUZRWQHSBA-GHMZBOCLSA-N 444.897 0.537 50 20 ICGD CN(C)c1c(C=NNC(=O)c2cc(F)ccc2Br)c(=O)n(C)c(=O)n1C 807970573 PBANPWOMAPYKIW-UHFFFAOYSA-N 426.246 0.816 50 20 ICGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 808289563 NJOCBKBEAZIKRY-UHFFFAOYSA-N 428.488 0.964 50 20 ICGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 809957592 PQCCQKRFMXYDMY-AWEZNQCLSA-N 432.506 0.166 50 20 ICGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)Cn1ccc2ccccc21 812884026 CPTIKGRTZHGQCG-OAHLLOKOSA-N 435.506 0.007 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 825615097 HTOYDBXLDXGARN-QFIPXVFZSA-N 437.456 0.648 50 20 ICGD CC(C)CN1CCO[C@@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 915922811 HEKRSNPWIQISCH-AWEZNQCLSA-N 426.543 0.281 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCN(CCc3ccccc3)CC2)c(=O)n(C)c1=O 915958778 WESGZPPWPUWKBJ-UHFFFAOYSA-N 430.534 0.382 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 918570477 UYPLTKPDPWPIPF-PNDHZVEESA-N 436.534 0.468 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC2=O)cc(OC)c1OC 918707160 AOFSHZDSEVYEEF-VIFPVBQESA-N 434.371 0.958 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)cc(C#N)n1C 919046345 OABQFRXDHMBWML-IDUWFGFVSA-N 435.440 0.836 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Cn1cccn1 919779193 OLUBECUSKKSDGK-HNNXBMFYSA-N 434.522 0.948 50 20 ICGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c1 919889789 UJAGJYOBWYUAFT-NEPJUHHUSA-N 426.520 0.279 50 20 ICGD O=C(NNC(=O)c1ncc(Cl)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1116874916 WFADEZUWGGWUSL-UHFFFAOYSA-N 430.895 0.892 50 20 ICGD Cc1cc(C)n2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)c2n1 1182816696 YGBSHMITTZJTTJ-UHFFFAOYSA-N 444.521 0.434 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)C1CCN(c2ncccn2)CC1 1251624394 XQLNZKXSVLMJRN-YQQAZPJKSA-N 447.565 0.566 50 20 ICGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1335299970 ABJDESBDDOFKEE-IBGZPJMESA-N 435.488 0.870 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCc2nnc3n2CCOC3)c1 1338917882 CYKIVFMGFPOMIL-UHFFFAOYSA-N 425.243 0.724 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]cc2I)c1 1342746223 CXNNLJSYMPKAAU-UHFFFAOYSA-N 434.215 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778679806 BRJRHKWMSBSBJI-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC2(F)F)C1 1778772515 NDUIHHCZPAFGKW-QMTMVMCOSA-N 437.447 0.468 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1779058307 IMJSGRYYDARJCZ-GHJWDPDVSA-N 430.278 0.797 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1781227888 FRBFBKQWLPCFCV-ROUUACIJSA-N 444.319 0.306 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781538974 FVXAXBIZOWQJGL-PJIJBLCYSA-N 431.917 0.451 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c12 1782517385 GICDXNKWMLRCKM-HSZRJFAPSA-N 448.288 0.080 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783633511 NUDSFKOUQWWQTM-FQKPHLNHSA-N 430.343 0.666 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783808251 UIBBEYTYVPTKRI-LGVFNWMJSA-N 434.301 0.614 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1783876084 RQAUQXALOYYCSF-ORAYPTAESA-N 425.869 0.550 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1783974463 OMAVRPAXLLCJTE-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785670231 FKKKQRLWCPZNLR-ZRZWOPFXSA-N 444.536 0.436 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786873846 BDYZANAFWVRBOV-FDICVXPISA-N 425.327 0.845 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cc(O)nc(O)c1 1787292003 RPCARTXUXHEHKO-DRZSPHRISA-N 428.283 0.871 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2cc[nH]c12 1788070707 OIHZIMJZXCYLAL-YYWHXJBOSA-N 447.300 0.755 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1790177095 NNKYXXLTCGPPNE-RMIALFOJSA-N 440.324 0.613 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1792872251 TZIFHNUNPPWHRF-PEBLQZBPSA-N 437.356 0.184 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2c(s1)CCC2 1794959895 WVICIVUGHIWTER-CWPLJXCYSA-N 440.330 0.434 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795443843 ZRKRHOIAEFNWNB-CUSZFKRNSA-N 445.402 0.245 50 20 ICGD Cc1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(C)s1 1796188254 HPIZQWISVURMDQ-BCDXTJNWSA-N 427.335 0.934 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CC[C@H]2CCC(=O)N2C1 1796188609 ZCMXYAVKZYFYLU-XCZFOBESSA-N 439.321 0.019 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(O)c1 1797753994 IGYIKVJQOUSNSP-HBCWATKFSA-N 439.472 0.216 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(Br)cc1O 1799472412 SAXJONJBKFUBCR-ANGCBRKESA-N 447.713 0.958 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1800177368 BQJHSUVTAAVGHT-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1800639520 HWTMFAXTAQEWAH-LOUJCGABSA-N 426.311 0.611 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1800642158 YVITWLHRGATDCT-OXIQGZBJSA-N 427.299 0.862 50 20 ICGD Cc1ccc(C)c(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012775 LBVPKTCRCPXJEC-BBIADKPPSA-N 430.549 0.809 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810063096 PSJXJUAUMUHNKK-UHFFFAOYSA-N 439.296 0.988 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810297347 BRSCJEIZRPUATE-BEFAXECRSA-N 440.504 0.561 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1813034270 GCFCJPQKVVHZQO-GJYPPUQNSA-N 433.896 0.598 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2csc(N)n2)[C@@H]1c1cccnc1 1813070836 LJHSDBREHXXYNZ-RDTXWAMCSA-N 445.549 0.813 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C2(F)CCC2)[C@H]1c1cccnc1 1813683359 UGWCRGBROREKKT-IEBWSBKVSA-N 425.269 0.973 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814227602 FPRMYYBJYBGFQG-KCQAQPDRSA-N 426.315 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815028515 LBKPMZWSSPOUHL-AWEZNQCLSA-N 435.485 0.227 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncccc1F)CC2)c1cccc(B(O)O)c1 1815360377 HCUFSWYAHWOXQT-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C(=O)c1ccco1 1815755156 QMKGITZOIZIMNB-MRXNPFEDSA-N 436.233 0.871 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1822370526 NUAJAZONIDPERO-QEORTHHSSA-N 429.905 0.306 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082714 BGIITEILCYTESU-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826127455 XNNOBYIMGYMNCD-DZGCQCFKSA-N 449.363 0.163 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705966 NFIBAPGREROXPY-VQIMIIECSA-N 434.002 0.899 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830350371 SIIVRDCALXXWHM-YLJYHZDGSA-N 442.896 0.481 50 20 ICGD Cn1c(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2ccccc21 1830720035 QVWWVVILPBIODA-UGKGYDQZSA-N 449.935 0.777 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1)[C@@H](O)CCl 1833313202 ZJAMGDZMKZMJGK-INIZCTEOSA-N 425.917 0.027 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3C)CC2)CC1 1834087434 YKYFUAFLGZIHKV-QGZVFWFLSA-N 438.956 0.824 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1834127781 XXONHCLYOGTIOD-GOSISDBHSA-N 442.310 0.945 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834197681 TZRXPTONVIFWMR-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797522 SZWGWNOUWZHSRB-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931397 QQEDKRKNPPIECH-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1837711289 BTLDIVNVOQGACA-KRWDZBQOSA-N 428.587 0.647 50 20 ICGD CC(C)(O)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837771579 JYQWSWCAIFGSBG-UHFFFAOYSA-N 432.326 0.140 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839563696 SRGLQVLUXWWNDF-FOIQADDNSA-N 438.864 0.808 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840032810 KQLIBZBVMPACFV-ZUZCIYMTSA-N 446.258 0.171 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)c1 1840185778 RZMHBDRWWWSYSG-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550396 UPJPQJCSHJKYFE-CVEARBPZSA-N 445.365 0.114 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1841183822 LQGLFMLBBRMFFS-GOSISDBHSA-N 439.472 0.244 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2=NO[C@@H](c3ccccc3)C2)C1 1843862729 UZNBMUINKFUONA-HXUWFJFHSA-N 433.273 0.701 50 20 ICGD C/C(=C/C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1)C(=O)O 1845039903 VDCIZDCADJSFKI-WJDWOHSUSA-N 443.504 0.567 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 14768573 IZIGKNNUVWRLNM-AWEZNQCLSA-N 449.485 0.675 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cnc2n(C)c1=O 22756944 SWVFAKSEDLVAOW-UHFFFAOYSA-N 425.489 1.000 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cnc4c(c3)c(O)nc(=O)n4C)cc2C1 727749093 LBSPZHSMMVPZGZ-VIFPVBQESA-N 449.514 0.844 50 20 ICGD COc1ccc(-c2noc(CCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1 729274283 IZKCXQUXJCPSOX-LLVKDONJSA-N 425.467 0.153 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732236046 NQSNFQJJNZGEJX-AWEZNQCLSA-N 438.510 0.075 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1Br 735443932 KTTCMDGEGPGHAZ-UHFFFAOYSA-N 430.284 0.508 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 744506282 NBRSZAOMEYTLQA-UHFFFAOYSA-N 442.453 0.617 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2)C[C@H](C)O1 745992614 FRQIXBPJARUVCE-KBPBESRZSA-N 426.495 0.171 50 20 ICGD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 746631550 MHHKFUQQQGNFBU-UHFFFAOYSA-N 425.850 0.747 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)N1CCOCC1 753057866 OCUWFMWRIRDIKG-LJQANCHMSA-N 446.552 0.167 50 20 ICGD C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755291024 ZFHZOAMTKYRAKQ-KRWDZBQOSA-N 449.265 0.329 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1I 755344251 NMCFHYWYZYZQCD-SSDOTTSWSA-N 426.236 0.382 50 20 ICGD CCc1noc2ncc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc12 762440499 YGOFXEUESKIPMY-UHFFFAOYSA-N 438.491 0.702 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763175632 FIGFABUFOXYTCZ-MDBBBPFLSA-N 441.419 0.528 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763573315 YRCXSSJOLNLXBT-GOSISDBHSA-N 444.419 0.588 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763680726 PNUZJSJCZOYLIU-UHFFFAOYSA-N 448.443 0.958 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cn(C)c1=O 763694804 MFPBJCKZRXRHQO-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3ccncc23)c1 763719121 VFHDULRSUUOYRC-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O 763728347 UFLBZFDIWZLKFI-UHFFFAOYSA-N 434.518 0.945 50 20 ICGD CC(C)C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 763823224 CFACJTWZBVPCLQ-BBWFWOEESA-N 441.488 0.325 50 20 ICGD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917496 VGMJYLNBZPXGJA-UHFFFAOYSA-N 427.396 0.988 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 764228271 WYUUXOJDDKTDGS-GFCCVEGCSA-N 445.457 0.374 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnc4cnccn34)CC2)cc1 764820177 VVOQFHUZQSNKMG-UHFFFAOYSA-N 441.517 0.494 50 20 ICGD Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)oc12 765730380 JZFHGBHLSUQSKJ-UHFFFAOYSA-N 438.444 0.566 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CSC(C)C)CC2)cc1 765733658 OYAYIXQHLQLOIP-UHFFFAOYSA-N 428.580 0.590 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)C2)cc1 770988935 CXZLSSUKWBZPEC-CYBMUJFWSA-N 445.505 0.921 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1F 773253910 XKOAUFJZFJHGCK-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCS1(=O)=O 773419071 LWRSFLVBRGGUQN-HUUCEWRRSA-N 446.570 0.841 50 20 ICGD CCO[C@@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@H]1Oc1ccccc1 774365658 VCPLMWHNXPVAGK-GDBMZVCRSA-N 433.490 0.300 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 775222171 IWVHAQSZETYEBD-BXUZGUMPSA-N 443.298 0.936 50 20 ICGD C[C@H]1CCN(Cc2ccccc2)CC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 776185391 JDAMXIMZFMPEDW-AWEZNQCLSA-N 430.534 0.585 50 20 ICGD COC(=O)c1ccccc1NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 777772521 AHRRMNCZAMOCQP-UHFFFAOYSA-N 432.458 0.351 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 778709326 DCYKUIBDIBQPLZ-LBPRGKRZSA-N 445.457 0.374 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(C(=O)N2CCOCC2)CC1 779309681 FKPYMXVTYRARCI-UHFFFAOYSA-N 438.912 0.680 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1csc(N2CCOCC2)n1 779488823 KANMYAQYIFZXMA-KGLIPLIRSA-N 449.514 0.445 50 20 ICGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782895922 AUXFLXMFBZDJBX-UHFFFAOYSA-N 434.478 0.400 50 20 ICGD CC(=O)Nc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264799 RRUSMXDOLTWDIR-UHFFFAOYSA-N 434.478 0.809 50 20 ICGD CCOCCOc1c(Cl)cccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783426970 KWDXHHLRTGSXDD-QGZVFWFLSA-N 433.914 0.892 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)n1 784846955 XLAMSKWQXOMFTD-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccccc2OC)n1 786731337 WFZAJMSQPFIELD-UHFFFAOYSA-N 439.494 0.867 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1 789809909 GFBOSFPYGLFZGM-ROUUACIJSA-N 437.456 0.875 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCc2nncn2C1 793451364 RPCVMDCIDUPIAX-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1ccc(Cl)cc1 802021751 AFCUPOZVSFKTNS-SNVBAGLBSA-N 439.881 0.959 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 802058175 BUVDGAXPZSYANA-DYVFJYSZSA-N 436.490 0.884 50 20 ICGD CNc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 802763644 YTDZFLXQLHFNGB-UHFFFAOYSA-N 446.533 0.199 50 20 ICGD O=C(CN(CC(=O)NNC(=O)c1cccnc1)c1ccccc1)NNC(=O)c1cccnc1 812449954 VHOVMRLWMNSMNP-UHFFFAOYSA-N 447.455 0.205 50 20 ICGD C=CCC(F)(F)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 815827270 RQBNHRJLYGIKCM-UHFFFAOYSA-N 430.477 0.660 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1C 837298009 HHMNDFJCIAPENE-UHFFFAOYSA-N 438.238 0.114 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Cl)nc2)cc1 917248978 JKMKYEZPLHXHTN-UHFFFAOYSA-N 439.881 0.775 50 20 ICGD CNC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 918236173 WVWANVZRFCEULS-UHFFFAOYSA-N 425.511 0.331 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCCN1C(=O)CNC1=O 920285765 ZTXVTZFUUOMZOK-SNVBAGLBSA-N 427.255 0.696 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 921294836 BKJWWAYVNJGRMR-UHFFFAOYSA-N 426.451 0.809 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc(OC)c1OC 1253478456 GWZRAGITFIZLAY-LBPRGKRZSA-N 426.451 0.494 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc1 1256104908 VONMTMQPHOWJKM-UHFFFAOYSA-N 434.470 0.308 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c4nccc-4c3)CCO2)C1 1779030243 LRENPPAGGDFZBY-QFIPXVFZSA-N 449.471 0.270 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326595 YYSKJKQSVJGNKD-SUNKGSAMSA-N 429.308 0.188 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781866310 DTXJWIDHNIRJLB-CMIKEYLWSA-N 439.896 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)c2cccn2C)C1 1782617757 YUVMNZZDMXNMGD-VGOFRKELSA-N 447.536 0.095 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933398 XETRQBDOBPSFFQ-QHCPKHFHSA-N 446.548 0.967 50 20 ICGD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C[C@@H]21 1784413314 AZSDGFBHPRSENK-MEFGBEIZSA-N 446.454 0.988 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccccc3)[C@H]2C1 1786673686 AYZHNYUJLDFYRF-RYLXDESZSA-N 432.521 0.073 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791773570 BAMWWOBMXCHGQG-MRBYEJRBSA-N 429.308 0.091 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792230212 PVMHWYAKNFUZER-WPUCRFQZSA-N 443.859 0.856 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccsc1)C2)c1cccc(B(O)O)c1 1795737212 FCICRQYENCLZGJ-IRCDVLGRSA-N 426.303 0.345 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796367247 CCEHNQRADZWOAY-OGMFBOKVSA-N 437.896 0.386 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1798522116 GBFXZFGOIRFCOU-CSHUHZATSA-N 444.444 0.251 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012387 WSNBAQQQCPSLKV-PZTGFMGMSA-N 431.537 0.223 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803142976 PZNIFROTDSHLOR-DMRZNYOFSA-N 425.917 0.395 50 20 ICGD CNc1nsnc1C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1804849655 UIKUWPWBIWSLRZ-UHFFFAOYSA-N 437.570 0.798 50 20 ICGD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)nn1C 1805710786 XFBCQCZDHDMMGG-UHFFFAOYSA-N 438.337 0.496 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncnc2)[C@H]1c1cccnc1 1805790604 AYPRNFHBVWDNLF-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD Cc1ccn(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n1 1807150822 FRXFUWDETFDOKN-UHFFFAOYSA-N 439.520 0.735 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807768950 QJMIKONGPWBJGW-DYESRHJHSA-N 447.304 0.680 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808682245 IOYODCFQYSQJQG-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1810304598 FLEBTYSZNYREAC-FOIQADDNSA-N 448.487 0.366 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812403476 APAARPOXFPFCSP-DENIHFKCSA-N 447.304 0.286 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814221817 JWGKPOLVKMUELA-UXIGCNINSA-N 426.315 0.787 50 20 ICGD CC(C)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817443258 XFMPAEMDTLRDND-SFHVURJKSA-N 427.314 0.784 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cccn1 1817475441 PJFPTQCBDWQWEY-KSSFIOAISA-N 436.281 0.853 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825450148 FHWPIOUMFDTOBS-WDCWCFNPSA-N 431.356 0.951 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1 1825641480 KVEBAGHBKQGCLE-OTPXZMOZSA-N 449.327 0.903 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1826003240 JERXSZFKPALIBL-DTWKUNHWSA-N 438.897 0.512 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC(F)(F)C(=O)O)CC2 1826085946 GDNPZWNHVKPIOG-VIFPVBQESA-N 447.464 0.538 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826620712 IVXRHFPNZFRUOF-IBGZPJMESA-N 447.536 0.581 50 20 ICGD Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cnn1C 1827051125 NPVNCAYABXZWIU-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827052951 QBVSMVBKXRTGFW-LJQANCHMSA-N 440.309 0.534 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC(=O)C2)CC1 1828926131 ZZPFRALKNCZEFH-IBGZPJMESA-N 427.505 0.898 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736866 XCQMVIZPXBYVDH-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cocn3)CC2)CC1 1834307705 JCHFBFDVKCSVLH-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835147569 DWIGBMRHUIPRND-OXQOHEQNSA-N 426.897 0.430 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835577466 XEJBPANISTVNTA-QFBILLFUSA-N 429.876 0.294 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837055513 JMYNCMVTIPUXEG-AUUYWEPGSA-N 440.859 0.372 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837485780 PTEHNIRSMVZUTI-YVEFUNNKSA-N 432.308 0.537 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837847387 COSDEKMZISDXCV-IIBYNOLFSA-N 445.369 0.352 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839148004 JORBEODYLXMBED-ACJLOTCBSA-N 428.873 0.035 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839774410 XWNIDPXEXGTJPV-CRAIPNDOSA-N 434.892 0.911 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961081 VBQRBRJTOYRNLA-HNAYVOBHSA-N 431.316 0.850 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839963136 AUFAULGEXQBXAM-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840149851 BYVPBLPCIVQOQV-ACJLOTCBSA-N 430.889 0.064 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840153200 HDWVYBPCEYTDFP-HXJKKYABSA-N 447.916 0.226 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2=NO[C@H](c3ccccc3)C2)C1 1843862728 UZNBMUINKFUONA-FQEVSTJZSA-N 433.273 0.701 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2n[nH]cc2I)C1 1844465715 NGEBXUZTPKOIEJ-VIFPVBQESA-N 438.653 0.431 50 20 ICGD CN(C)c1ccc(CCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1846505627 HNEPKWZIQIEIQF-UHFFFAOYSA-N 435.333 0.882 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CC1 1846965391 ZRMUZZZBZDVBCN-OAHLLOKOSA-N 444.960 0.342 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 14368645 MPSRJPYCLZSBJR-CQSZACIVSA-N 447.467 0.602 50 20 ICGD CCCCCn1nc(C(=O)NNC(=S)NCCS(C)(=O)=O)c2ccccc2c1=O 729157610 BMHUMHVXORPSNE-UHFFFAOYSA-N 439.563 0.740 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c(OC)c1 734528720 BRAWDHUHMAXQOO-UHFFFAOYSA-N 426.426 0.635 50 20 ICGD CCc1noc2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cc12 735116886 JRWBMQFIULMESN-UHFFFAOYSA-N 445.505 0.873 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12 743471562 OMXIMSTZFKIAHO-CYBMUJFWSA-N 447.477 0.526 50 20 ICGD CCO[C@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 744412503 PSHYWKQHQDBRBX-OAHLLOKOSA-N 441.492 0.618 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)=C(C)C)c(=O)n2Cc1ccccc1 751191184 PVEGDCNSDYCTFI-UHFFFAOYSA-N 438.488 0.932 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1cnns1 755340655 VHUUUYFTAIXQHL-UHFFFAOYSA-N 440.507 0.345 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 756093710 IDKGMEYVLRTZTG-LUVWLHFXSA-N 428.445 0.212 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCN1CC(F)(F)F 762526604 GTBANOLLWVRBBX-NSHDSACASA-N 436.460 0.903 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763573610 UBGOAEYOBPNQIC-MRXNPFEDSA-N 428.401 0.197 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 763663453 UQJRXCCVVZMRLO-UHFFFAOYSA-N 440.456 0.983 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c(OCC(=O)N(C)C)c1 763885338 JTCLQUYBHSDOMI-UHFFFAOYSA-N 430.465 0.061 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002423 MFKMHVCNYLPFFC-JTQLQIEISA-N 445.519 0.569 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1NS(C)(=O)=O 764167580 LASNKKNDJJPRRF-INIZCTEOSA-N 448.457 0.156 50 20 ICGD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764232928 UCQWMJMHNBNDFZ-LBPRGKRZSA-N 428.511 0.415 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)o1 764368004 RPNLJOZJHWFOBI-UHFFFAOYSA-N 429.433 0.258 50 20 ICGD Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764433272 LSZMVIKVRKXOFL-HNNXBMFYSA-N 429.477 0.980 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 767270426 XRAJNAOLIRGZMO-HZVDNRATSA-N 425.441 0.035 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769649751 CFAUODLCXCWSHK-LLVKDONJSA-N 426.495 0.636 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 769776999 IZXWNWNOOKDEPU-UHFFFAOYSA-N 440.551 0.735 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 770647771 BTPXHGMDATUAJH-GFCCVEGCSA-N 433.918 0.272 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 771221633 YFSFQPAPZXQXTP-NRFANRHFSA-N 440.412 0.652 50 20 ICGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccc(Cl)cc1 772180534 WUCLHKAKBONNAK-LBPRGKRZSA-N 446.895 0.503 50 20 ICGD CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772187757 DBQIAVWLZRVPAB-INIZCTEOSA-N 431.880 0.953 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNc2nccc(OC)n2)c1 773726027 FWJFKOOSLVZHEI-UHFFFAOYSA-N 425.405 0.848 50 20 ICGD COc1cccc([C@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C2CC2)c1 776488535 ORXSMBPSGMRVGX-APWZRJJASA-N 437.456 0.928 50 20 ICGD CCN(Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1)C(C)=O 784004708 KBMTXKXBFSEJSM-UHFFFAOYSA-N 445.501 0.632 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cnn1-c1ccccc1F 784004711 PVHHPSXHUUKTIF-UHFFFAOYSA-N 428.380 0.429 50 20 ICGD CCCc1csc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 789732085 LNBFPTFCPAGVBI-UHFFFAOYSA-N 439.519 0.746 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 807370528 LKAAWERCOPBVNA-INIZCTEOSA-N 447.492 0.473 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 807379913 JAGIFDFXXHGWIM-OAHLLOKOSA-N 438.326 0.928 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2c1=O 812691552 CEUCGLHDCCHLNJ-UHFFFAOYSA-N 438.510 0.032 50 20 ICGD O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155914 DFMPCRYFRDAOJK-UHFFFAOYSA-N 433.350 0.872 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 913429651 PSUOUIDKILTPRI-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD NC(=O)c1cn(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc12 917918710 AHAXCOXPVDCWRO-UHFFFAOYSA-N 449.876 0.502 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1c[nH]cc1C)c(=O)n2Cc1ccccc1 918017451 XBOHSUBIKXMNCU-UHFFFAOYSA-N 449.471 0.526 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)NNC(=O)[C@H]1COc2ccccc2O1 918056006 TTXWWPZVNGXKQY-MRXNPFEDSA-N 427.369 0.162 50 20 ICGD C[C@@H](NC(=O)C1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 918774392 LMZRZVRRFHRONM-CXAGYDPISA-N 433.461 0.602 50 20 ICGD Cc1c(I)cccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1116570040 HJRXKUMKYAKADA-QMMMGPOBSA-N 440.263 0.690 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c2ccccc2c1=O 1318580928 UVTABJHFWNKAQR-AWEZNQCLSA-N 438.492 0.934 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n(-c2ccccc2)n1 1322451330 BSZAQSKUXDDSPX-UHFFFAOYSA-N 446.423 0.981 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1781595071 ZNCVXRSRIMOMOR-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1781995584 QJCQLVKCWYOTKK-OGHNNQOOSA-N 433.347 0.555 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1783937584 VGFZZERYUIGNIB-XOPAWIAISA-N 430.505 0.608 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784104301 PWPRVJBVYLUAEW-XUZZJYLKSA-N 434.301 0.540 50 20 ICGD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc(F)c1F 1785057235 TYIXJKFIKVNMOQ-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1785812386 QRDRSIXPWOTZCA-ZOBUZTSGSA-N 433.509 0.057 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1786407680 HVSVBKPSDUWZRV-DCAQKATOSA-N 444.248 0.430 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1789864898 JWRANMRNBVHMGE-MWTISTBLSA-N 439.944 0.454 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2)[C@@H](O)CCl 1792980008 BHOBCWFNQNLGSK-GGNLRSJOSA-N 445.903 0.447 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795609943 UJPAUXNCPJIGDY-IGNRKKQASA-N 425.327 0.702 50 20 ICGD Cc1c(F)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1N 1796154717 XTWZAPDLSHUGGQ-BJWYYQGGSA-N 425.269 0.962 50 20 ICGD Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1F 1798440620 FRLPBXAJDIJYOI-CLLJXQQHSA-N 429.456 0.432 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1800761843 HADWKLWGEQEERG-NJBDSQKTSA-N 440.273 0.855 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CC1 1803537089 GJWHAFHWVDGACY-UYAOXDASSA-N 437.305 0.508 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1804123842 PQOZGFJLSLUFLE-RLFYNMQTSA-N 435.912 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806387428 VZHWNEOIHGIVMJ-OAHLLOKOSA-N 425.913 0.787 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359550 AXCGGZSXFHCSTJ-XLIONFOSSA-N 434.261 0.691 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnc1 1807366983 WMZXWKRYPMDYSA-PBEJRMEISA-N 447.304 0.539 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367329 KMTTUDBNRXTYTK-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1807369505 MMMJJSHFUIKWTD-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1807879602 AKTDKVCILLQKQO-KANFNMMFSA-N 437.972 0.323 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n[nH]1 1810303218 QTJZDGWFOADIOQ-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)c1ccco1 1815337915 XVGHJUGUQJIRNX-CYBMUJFWSA-N 439.258 0.525 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471627 UBPFGTACVJGXFQ-IXDGSTSKSA-N 427.314 0.769 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)[C@@H](F)Br 1820936040 XYXSMXWVZXKUIM-NJZAAPMLSA-N 448.293 0.743 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)CCCN1 1822772805 WIOLPRZHHZMHTA-PRWKNARSSA-N 443.533 0.510 50 20 ICGD CN(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826712097 ODIJAGYUXLQTKV-LJQANCHMSA-N 430.553 0.870 50 20 ICGD CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1826947260 RNBMBHWNWZHAAB-SJORKVTESA-N 439.557 0.042 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827309381 OYOIUAGEFGLBPJ-QGZVFWFLSA-N 440.508 0.659 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923677 SFZLALRNFOTQPI-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907259 DIULPGUOWAEFFT-RXVVDRJESA-N 435.908 0.811 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1830365890 JCPQTERMLUVOSW-HXUWFJFHSA-N 440.928 0.836 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1830537766 OBNIUXCSHHJECN-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538766 PBIFKGFDISAHLM-RDTXWAMCSA-N 448.358 0.246 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723907 UAMFOCHYOSDAEB-YWZLYKJASA-N 440.880 0.014 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830732595 UBLVGTLPQMCHKQ-YLJYHZDGSA-N 442.896 0.374 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832293362 NEYCZLBGYPNCFM-HOCLYGCPSA-N 438.294 0.002 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800561 USRLFGVRCOUTQS-PBHICJAKSA-N 429.861 0.265 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835746038 KENQVRPSQTZFIZ-YOEHRIQHSA-N 438.960 0.448 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836448292 XSJOFJFRMHVPIB-YWZLYKJASA-N 436.896 0.887 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1836717248 PPRPNNQXJKVZKJ-PASDCYSWSA-N 427.973 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836988696 JHPZWPRQWZFSRI-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838534539 ORAARAIGIXDHSG-YOEHRIQHSA-N 446.273 0.146 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)nn1 1838832620 WIDAUJWVOFBKEB-IFXJQAMLSA-N 442.900 0.199 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839203483 MKGPAYBCTARTJA-GDBMZVCRSA-N 433.278 0.110 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1839896042 KDELHMKXYUFQNT-INIZCTEOSA-N 433.299 0.181 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188313 CGNUZRAGYCBKJD-GOSISDBHSA-N 442.303 0.911 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840819312 CBRDCNFZIQUYOC-PKOBYXMFSA-N 425.844 0.928 50 20 ICGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C 21778873 LFSCLQYTFGPRPJ-UHFFFAOYSA-N 436.490 0.808 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 26692353 XLCKFNMUIMLNRE-SFHVURJKSA-N 448.453 0.609 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 726162543 FELQSILIBUIZJW-ZIAGYGMSSA-N 428.511 0.129 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2ccc(C#N)cc2)c1 730023603 OVNTWRDRKYELSO-LBPRGKRZSA-N 444.473 0.438 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)c1 731499398 SUPNNWNERJRUDC-UHFFFAOYSA-N 428.511 0.797 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cnn1-c1ccccn1 742231773 VUMBGQHXHUEJQK-UHFFFAOYSA-N 449.518 0.492 50 20 ICGD CC(C)CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 743351199 JPASSXLWIPBWLK-UHFFFAOYSA-N 442.538 0.714 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN1C(=O)OC(C)(C)C 743509621 IIWFOPAYUXJIJZ-CYBMUJFWSA-N 430.469 0.958 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744424953 XSWQWOHHOHKGBJ-UHFFFAOYSA-N 429.502 0.538 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nc1 745490911 ATBXUVRQAONUIF-UHFFFAOYSA-N 442.439 0.957 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 745916306 BUBSSNNFEPEWRE-AAEUAGOBSA-N 431.409 0.232 50 20 ICGD O=C(NNC(=O)c1cc(CO)on1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 748013913 XFQXYZKNNUSBDM-UHFFFAOYSA-N 430.442 0.720 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1C 750662979 JAIWNUOOUZBMCJ-AWEZNQCLSA-N 437.522 0.629 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCCC1 755471943 VWMJNXAISMUFIM-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 755863826 VQGMJRAWQLFUSU-UHFFFAOYSA-N 439.428 0.622 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 758059065 ZWTCFNJCAVBERA-AWEZNQCLSA-N 442.501 0.692 50 20 ICGD CN1CCCC(=NNC(=O)C[C@H](C(=O)NN=C2CCCN(C)CC2)N2CCOCC2)CC1 758117773 NLKIDWDZYFAJEL-HXUWFJFHSA-N 449.600 0.253 50 20 ICGD O=C(NC[C@H]1CSCCN1Cc1ccccc1)NNC(=O)C(=O)Nc1ccccn1 759339041 PNSSWDKJCCGLGF-INIZCTEOSA-N 428.518 0.968 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 759688145 NHJMDINWFSSBOA-UHFFFAOYSA-N 444.469 0.403 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)c1=O 763601053 NLRMYUXFSGGLBL-UHFFFAOYSA-N 446.427 0.361 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 763812531 TUSPYVUTYIORBO-UHFFFAOYSA-N 442.476 0.415 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 763931138 CWCPHJHWWSDKEC-MRXNPFEDSA-N 431.832 0.997 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764005594 CEZPLAZPRIPZDQ-UHFFFAOYSA-N 444.419 0.833 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)cc2)c1=O 764040202 HRQBPNRGTCQLQR-UHFFFAOYSA-N 448.361 0.990 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 764083304 IHGFEKKSZUHPAX-CYBMUJFWSA-N 437.472 0.619 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 764135266 FQMSJCQNULQGJB-UHFFFAOYSA-N 434.474 0.288 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764389236 NPXNIZTWTFOYMS-UHFFFAOYSA-N 435.437 0.370 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCCN1c1ncccn1 766650214 IYBISQONSMBJLX-GOSISDBHSA-N 437.504 0.051 50 20 ICGD Cc1ccn2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)c2c1 766854048 WNFGNILFZVYUOJ-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CC(C)(C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 769937723 UFBZTQMWJNTYSR-GFCCVEGCSA-N 432.524 0.351 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc21 770335906 KTHNUACHLJXTDL-HNNXBMFYSA-N 430.444 0.908 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 772017192 JUUOLMUKMDWYJE-FKIZINRSSA-N 436.440 0.718 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)C1 773412248 UTCYZTKQJNTVJC-CQSZACIVSA-N 444.492 0.976 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C 778512873 WTIAHJARQJVNHL-UHFFFAOYSA-N 449.489 0.976 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1 778710270 ROMIREVGKNABKK-ZDUSSCGKSA-N 442.453 0.871 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C 780974093 OLTHLMQJPRTIKS-UHFFFAOYSA-N 444.510 0.621 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1 782144904 IOEBWGPFRFSISY-KRWDZBQOSA-N 441.444 0.186 50 20 ICGD COC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1F 785061641 ZTXYGTWGAVCDET-UHFFFAOYSA-N 428.380 0.980 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)n1 792268255 GEOZWOKVDMEOJT-UHFFFAOYSA-N 436.476 0.415 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 795276150 KZWRSWCQBJHACL-HNNXBMFYSA-N 445.563 0.852 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(C)n1)CC2 797369771 IYDBVVYYVQIGCB-UHFFFAOYSA-N 431.474 0.039 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 799537136 LITPKNOGHWLOQJ-UHFFFAOYSA-N 447.473 0.362 50 20 ICGD O=C(NC[C@@H]1CCCSC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807595603 WMFMXUMXYUFTDA-AWEZNQCLSA-N 442.563 0.795 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 812727511 UCGFEBINSWNXLS-OAHLLOKOSA-N 435.428 0.954 50 20 ICGD Cc1cc(C#N)cnc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 814698558 JMEJZWSGTIMUSF-UHFFFAOYSA-N 429.458 0.357 50 20 ICGD CN1CCN(C(=O)NNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 819721825 ZDLKWKKNGUUOCQ-UHFFFAOYSA-N 438.554 0.407 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(N2CCOCC2)nc1 821708272 GQOQEEFPTIYTJU-UHFFFAOYSA-N 438.532 0.892 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 916646972 YNYMSIOIFQXPBK-UHFFFAOYSA-N 444.517 0.897 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C1=CN2CCS(=O)(=O)N=C2C=C1 918340678 YROUZVTYPWQWIS-UHFFFAOYSA-N 443.254 0.847 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)Cc1c[nH]c2ccccc12 918759112 LMXILIQOJWKPDQ-UHFFFAOYSA-N 426.458 0.713 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 919694243 QHHDYWZLYROEMC-ONGXEEELSA-N 434.301 0.928 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2Br)nn1)N[C@H]1CCS(=O)(=O)C1 919887121 XLISTNAVHJVJEC-VIFPVBQESA-N 443.283 0.161 50 20 ICGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 919961084 RAZFMAICMJLVIX-MRVPVSSYSA-N 426.860 0.236 50 20 ICGD O=C(NCCN1C(=O)COc2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 1116679426 PHZZAIPYASYMJV-UHFFFAOYSA-N 439.476 0.449 50 20 ICGD CN(C)N(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 1347528368 UBALRBBNTSCRPU-KRWDZBQOSA-N 429.564 0.023 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1)[C@H]1SC(=N)NC1=O 1778025463 AJYPPXWPSVWCLK-PZISXKGQSA-N 434.921 0.837 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1 1779031644 VEFQNNDXOYXQPF-JOCHJYFZSA-N 441.463 0.510 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC(C)C)C2)C1 1779168282 CTKKPRBFODUEFR-OCCKZLSWSA-N 433.509 0.764 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779214699 YNSGTLYFIVPPST-CPUCHLNUSA-N 428.331 0.775 50 20 ICGD Cc1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)sc1C 1779943812 AYKGIPHYQQVDAR-FQEVSTJZSA-N 444.517 0.516 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1781900494 RGWWZJVDDPNPOA-UHQDVWGKSA-N 448.358 0.737 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1781900773 DOWIRDTZKRLSNR-CJBNDPTMSA-N 429.315 0.550 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc2c[nH]nc12 1782257107 YKFGIMJAYPBTAG-QHCPKHFHSA-N 448.288 0.308 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@H](C)Br)CCO4)C3)(C1)C2 1783445970 FFZDBMVQECOXST-QGOKIACBSA-N 429.311 0.943 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1783578748 YNCHICCAKRPFDR-WGIXJMRHSA-N 432.359 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1783934901 KJLCHASQUXPANS-KRWDZBQOSA-N 429.930 0.613 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)[C@H]2C1 1784085725 PDVIIAIODRRSBP-XDKXFUCDSA-N 430.929 0.809 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786788775 PAIHUNMFWFJXPT-XUXIUFHCSA-N 425.850 0.098 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)COCCO)cc2)CCC1 1790529418 QCPGBXPDBVTGQD-UHFFFAOYSA-N 427.461 0.442 50 20 ICGD CC(C)(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nn1 1796188614 ZKVQBDAAEOGLRF-BJWYYQGGSA-N 425.298 0.279 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCCC1(F)F 1797213708 ZCHKDNYXZLDSTB-CSHUHZATSA-N 448.486 0.867 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nccn3c1)C2 1798440091 BFQQXPJRJPWWOJ-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802557288 OVLKAVKZOZTOAW-UGKGYDQZSA-N 436.321 0.177 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803139525 QIBRXJOFNBBHJN-XBVQOTNRSA-N 437.953 0.714 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1 1803724835 WMCZGGUDDQSWOK-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncnc1 1805786559 GGCKPRIXLNKFGH-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807371771 ZUZGUYOVANLVFR-DYESRHJHSA-N 449.276 0.015 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807376494 VZCBIFZJCKLSLF-NQIIRXRSSA-N 443.272 0.595 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1810252413 LCAVWRXDBWYAIS-AWEZNQCLSA-N 444.941 0.283 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@H]1c1cccnc1 1810299503 RDGRFCFKFUBKGB-KSSFIOAISA-N 434.460 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)CC1 1824573933 VJNNPBVZBAGDGJ-IRXDYDNUSA-N 444.492 0.027 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903582 BPGYVANIDDQXOG-HUUCEWRRSA-N 428.917 0.412 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)CC1 1825132798 LIYJLJLJLYTWNW-NRFANRHFSA-N 438.337 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829164098 ZKPBOXNWPPVSMH-OAHLLOKOSA-N 449.512 0.924 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829855784 KGAGCRIZQPQOCM-VQIMIIECSA-N 429.590 0.209 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1830362339 RFAUXSWTSKJYIX-MRXNPFEDSA-N 444.834 0.813 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719209 AKOPRYGIQRIRRU-KNBMTAEXSA-N 440.928 0.048 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830725776 LRYJDRMGELNSAH-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830903558 MLLCEBWMIMLAOV-FVHSOHGJSA-N 443.840 0.257 50 20 ICGD C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551113 BPWBMHZQPAOULT-LIRRHRJNSA-N 429.901 0.208 50 20 ICGD CC(C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833672950 CXSQQGOPYRMWNI-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD O=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)=NN1 1834423866 MRWNJEOTMYLVFE-UHFFFAOYSA-N 428.331 0.219 50 20 ICGD CC(=O)NC1CCN(C2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)CC2)CC1 1834553550 VMHITWQQOXJRCJ-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834797924 MPMKXAFEZJZVLU-UHFFFAOYSA-N 441.259 0.504 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)s1 1835847689 NZGMVODLTBYNRB-QMTHXVAHSA-N 437.291 0.486 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n1 1836065772 ATVAITQXLGQLHI-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837711327 DMPYUKQZCCITED-GOSISDBHSA-N 426.546 0.228 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837715612 AGMNVTWAQIHEKC-WWNBULGVSA-N 426.586 0.862 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837756912 KQLBSFFVVSJSTJ-KSSFIOAISA-N 430.864 0.529 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1838060371 KSQUNNROCOWAKP-IFXJQAMLSA-N 429.901 0.869 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838493879 HHEIWOSZYFUWNW-MGPUTAFESA-N 449.895 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840036107 FLXBJCAWUIRJQQ-GUYCJALGSA-N 443.298 0.095 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1840185413 PUVUZHSDSCJYJD-QFIPXVFZSA-N 436.553 0.396 50 20 ICGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(C(F)(F)F)o1 1843011036 HTAIWNBWVUIDAO-UHFFFAOYSA-N 437.183 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1844264611 PJPJOQUHFIAFHY-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1845188193 SINSDFQMKQIYAZ-HZHRSRAPSA-N 429.477 0.833 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1846386513 UVQCJVYODZYJEJ-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD N#Cc1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 12606374 MABAITGZCHWMGD-UHFFFAOYSA-N 442.497 0.973 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 26070537 HGONSDNNITXIJM-GFCCVEGCSA-N 431.474 0.555 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 28810536 NFHZOGSLODOTON-QMMMGPOBSA-N 427.298 0.202 50 20 ICGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 109067577 DANYYQIZLJEABQ-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD COc1ccc(F)cc1CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872557 OXATVTKRNKGZMC-UHFFFAOYSA-N 433.440 0.716 50 20 ICGD O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1 725950709 GAXRFJVTKMRXEO-DLBZAZTESA-N 429.404 0.406 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC 728178435 HVRKDVPTIJZGOH-HNNXBMFYSA-N 447.579 0.832 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728980999 KPMQKAZIACDJDW-UHFFFAOYSA-N 442.476 0.288 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cnn[nH]3)c2)cc1 729455771 YPCLAOGSPWOOHF-UHFFFAOYSA-N 430.446 0.997 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)s2)CC1 730166240 QHNBZHGBUDVHDU-GFCCVEGCSA-N 449.576 0.364 50 20 ICGD O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1cnn[nH]1 730546547 DZOSUHODNKIGEX-JTQLQIEISA-N 426.220 0.778 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)c2ccccc2c1=O 732474396 DBVWJCGTYDPHCQ-OAHLLOKOSA-N 429.525 0.386 50 20 ICGD Cc1nn(C)c(C)c1CCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116811 GVDSWYJBOXXTOC-UHFFFAOYSA-N 435.554 0.444 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 741206653 BDMLSLNBFFIKIE-QGZVFWFLSA-N 445.545 0.950 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)o1 742583182 PQUNFUDVXRBAFH-DTDBQYNISA-N 432.477 0.435 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3ncnc4[nH]cnc34)CC2)cc1 743471440 HZTKTWXLHPCBQS-UHFFFAOYSA-N 430.494 0.111 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)o1 743829403 OSXPCXMLMGFMOA-UHFFFAOYSA-N 430.464 0.400 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 744499111 GTXDVGTXCQMMPY-MRXNPFEDSA-N 436.424 0.924 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)cc1 744562341 YVCOEAWJGIAFNP-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 745906822 UOOCLBULKQZXSS-AWEZNQCLSA-N 430.465 0.642 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748112354 XNOKVDPUVHAKFP-UHFFFAOYSA-N 434.515 0.300 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748915680 CFLQFVMVTIFSSI-UHFFFAOYSA-N 438.780 0.423 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cc1OC 751267714 WPJYXCGLLWDGEB-UHFFFAOYSA-N 428.394 0.930 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 751616155 CSQGFWJNLXUYCG-UHFFFAOYSA-N 425.470 0.895 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CCCC1 752285520 UPACVXBPRMNXHV-AWEZNQCLSA-N 443.547 0.412 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755846241 JISPPVPDKKFKMY-UHFFFAOYSA-N 442.432 0.263 50 20 ICGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 756905436 XFGRCHDOXKPSMM-SJLPKXTDSA-N 439.534 0.745 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(Br)cc2)cn1 758037295 ZDPBRPXXNNBRKW-VIFPVBQESA-N 430.284 0.334 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574410 AREGWGURGJPNTQ-HNNXBMFYSA-N 437.405 0.155 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 763629890 RSJFHTHKJGEEMC-UHFFFAOYSA-N 449.515 0.790 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 763757066 ADDAYNAMRJMWKH-UHFFFAOYSA-N 439.472 0.625 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)cn1C 763876522 GJXFAWUCUHERMO-ZDUSSCGKSA-N 444.444 0.958 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c2ccccc2O1 764106701 PUSCLDNLVIQZNJ-KRWDZBQOSA-N 442.476 0.578 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)CC2CC2)c1 764142089 KKPVXRYLYLUJDF-UHFFFAOYSA-N 445.213 0.964 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc(S(C)(=O)=O)c1 764202253 QHIMWAHYGWRAEV-UHFFFAOYSA-N 427.479 0.789 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 764250872 PMTLQDLBWDZULB-UHFFFAOYSA-N 446.363 0.474 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3ncnc4[nH]cnc34)ccc21 764326255 KSOWBVNPGQSXSW-UHFFFAOYSA-N 438.452 0.766 50 20 ICGD Cc1csc([C@@](O)(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C(F)(F)F)n1 764344771 JJEZXZCIPYYWKP-HNNXBMFYSA-N 431.396 0.564 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Br)ccc1-n1cccn1 764431435 CVGCCZCMCIUPFZ-ZDUSSCGKSA-N 438.238 0.136 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 765747872 JFFNELJXOKJLHF-UHFFFAOYSA-N 445.545 0.221 50 20 ICGD COC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 765838998 IXOIIDXSOXJYLC-UHFFFAOYSA-N 440.522 0.810 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 766635638 BIMJWQDHFKOTFZ-LJQANCHMSA-N 426.448 0.735 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 767447000 NSAVPXKNIKBSET-INIZCTEOSA-N 435.477 0.864 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c2ccccc2c1=O 770433746 DCCLCUXPURSSTN-WMLDXEAASA-N 430.509 0.860 50 20 ICGD N#Cc1ccc(C(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 771390644 CKHZVVSXVMEZRK-UHFFFAOYSA-N 443.485 0.452 50 20 ICGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196743 QSZGCTXYEOUBDI-UHFFFAOYSA-N 435.868 0.358 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890272 XFZZKNNMJVTRRK-UHFFFAOYSA-N 428.854 0.275 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@H]2COCCN2CC(F)(F)F)c2ccccc2c1=O 773712343 LFAKBVSRBICVKJ-CQSZACIVSA-N 441.410 0.831 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 778442037 PQMSKMBYGWMWKV-CQSZACIVSA-N 444.448 0.435 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccnc(OC(C)C)c2)c2ccccc2c1=O 778707019 FJUMVWSHXSPBRJ-UHFFFAOYSA-N 438.444 0.998 50 20 ICGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784210552 UYRLBIOHRSJUIJ-UHFFFAOYSA-N 431.474 0.616 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)N1CCCCC1 786193740 QDFRQYPNYQZFHI-ZDUSSCGKSA-N 425.511 0.712 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 788046605 JUQBZPZLLGGZCH-ZCFIWIBFSA-N 449.707 0.986 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1nnc(-c2ccccn2)s1 788566918 VDXPVBKVDANOCJ-UHFFFAOYSA-N 447.458 0.299 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[C@H](C)O)cc1 789369524 FOQZBEPJVQDUHS-XOBRGWDASA-N 444.513 0.894 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cccc(F)c1[N+](=O)[O-])CC2 790994023 NTBAKKKHRHVKQL-UHFFFAOYSA-N 437.409 0.674 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 802432179 RTOOOXBPFRHBQR-SNVBAGLBSA-N 440.881 0.139 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ncccc3F)cc2)CC1 807300917 YLLRNMAEAPMRDM-UHFFFAOYSA-N 430.440 0.598 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C1 807380351 UUSDHCLJUOOPHA-HOTGVXAUSA-N 437.566 0.955 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)C1 808264743 MSWBWPGMRGBBTE-KRWDZBQOSA-N 432.525 0.992 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1S(N)(=O)=O 812432618 ZTVYVXZELWOHQZ-UHFFFAOYSA-N 436.490 0.869 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=S)NCCc2cccs2)cc1S(N)(=O)=O 915595928 GUZIOZIPULBNGX-UHFFFAOYSA-N 446.551 0.824 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC(=O)NC(C)C)cc1 920849484 QRIPCGBWWJZAID-YBEGLDIGSA-N 438.488 0.982 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNc1ccccc1S(C)(=O)=O 1319320910 QOPGOQSFJLRGDL-UHFFFAOYSA-N 435.506 0.807 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCO[C@]2(CCSC2)C1 1324058886 CZLIOSDVUQENHD-SJKOYZFVSA-N 427.552 0.978 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1778121381 LUSGLBVQYFRBRP-LIRRHRJNSA-N 431.917 0.283 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779692365 HGMCVCWZPIDRIU-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD COc1ccsc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779845028 NZRNFKORDXUHNU-FQEVSTJZSA-N 430.291 0.194 50 20 ICGD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780087790 XYHCRYPJYQTMNN-KXBFYZLASA-N 439.852 0.573 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331308 IBCSUJDPGLSUNK-WBMJQRKESA-N 429.246 0.541 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781654884 QHFFHSSMCPIXBQ-GPMSIDNRSA-N 446.642 0.929 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1781998476 XCFVTDYFRLHCFK-GSDQYQHOSA-N 443.298 0.799 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782551980 UEIXLYOFPUXIQC-NRFANRHFSA-N 446.483 0.290 50 20 ICGD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783024016 SQRNTDYYZCMCFA-GJYPPUQNSA-N 439.354 0.109 50 20 ICGD O=C(/C=C/c1cccc(O)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783272115 BJQAKXWUHNNQHN-YNYHDPJCSA-N 436.273 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1783936959 MBKYPTKMMSIFME-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1784364438 SMYBWKDWJGZRKQ-AICCOOGYSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984326 DOFAHPOHWUMLNT-BVSLBCMMSA-N 432.285 0.011 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138110 IPQLBDLQWQRFOP-XUXIUFHCSA-N 432.315 0.592 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788775992 YHQRTYQWDNRYRK-QHLBIMPKSA-N 438.352 0.354 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c[nH]nc34)C[C@@H]21 1791289152 LVTDIPDZRRYCSN-SZMVWBNQSA-N 442.520 0.529 50 20 ICGD Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795304086 TZYOGEPCLFEIKT-FAQVEIGNSA-N 432.521 0.336 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nccc2occc12 1795973335 POTGKRUOENKMFQ-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cc(Cl)ccn1 1797907352 DYIWMKUUGMUFFL-IFOZYUSPSA-N 432.304 0.957 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1csc(C(F)(F)F)n1 1798255324 PMISNSNYPMSKRI-JZSSXWJLSA-N 427.832 0.965 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnnc1O 1799067100 IJPXPBLHLJJZOJ-BQELMUNXSA-N 425.449 0.568 50 20 ICGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799276566 NMGPCSNEIDLMRK-DZJQYVJYSA-N 425.382 0.296 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncccc1OC)C2 1800973510 BPSYOVIVFXDRSD-NXEZDXNNSA-N 425.913 0.866 50 20 ICGD CN(CC(=O)N1CC[C@H](CNC(=O)C(Cl)Cl)[C@H]1c1cccnc1)C(=O)C(=O)O 1813081120 IYQBECLUQDOFKU-DGCLKSJQSA-N 431.276 0.434 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817288222 ZHQNWXKNVQTBHA-HNNXBMFYSA-N 438.253 0.588 50 20 ICGD CCc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n[nH]1 1817471445 OHJANICARLTJGU-SFHVURJKSA-N 436.281 0.995 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncon2)[nH]n1 1819403363 GOVZRHQIGOQVMZ-ZDUSSCGKSA-N 425.409 0.411 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1O 1825457246 XEHIVCUUQAADGI-IBGZPJMESA-N 440.309 0.353 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087471 DJLRYOFDIGJEFB-OLZOCXBDSA-N 448.553 0.356 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050698 UUPQQPHFNVQIMC-NRFANRHFSA-N 437.305 0.547 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830546640 UVNFUFWNWUHLJS-YOEHRIQHSA-N 444.330 0.156 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cn1 1834079962 KTRRUUYWZASMHB-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834301038 STQXMAKXZLICJG-GUYCJALGSA-N 427.299 0.578 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1834635880 ZMMXCTDWKXQVBH-VQYZLWMVSA-N 431.493 0.377 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836364169 GGPSWXFPSVKZRC-QMHKHESXSA-N 427.354 0.598 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837711895 WEPROTBFTMIYEW-KRWDZBQOSA-N 441.517 0.239 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339078 CBZIEDYBMMLKLG-CRAIPNDOSA-N 442.310 0.564 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150806 XYILSAUWTQZVKH-JEBQAFNWSA-N 438.352 0.594 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839625064 AIYPKGHIGJSJOS-KRWDZBQOSA-N 446.266 0.742 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649434 PHRDBWMSZQDNOF-JXFKEZNVSA-N 440.928 0.979 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839679535 ILIRZJGYSZMXHX-ZWOKBUDYSA-N 433.977 0.675 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839963640 QUVPQUZWWUVEHJ-LRDDRELGSA-N 430.303 0.059 50 20 ICGD COc1cc(N2CCC(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)CC2)ncn1 1841459327 IITCTDUAPGUGIC-OAHLLOKOSA-N 437.928 0.505 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cn3ncccc3n2)C1 1843769938 UESWUPKAINSJKE-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 14844738 OWKXTVYPFLZVMB-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1 26697175 ZNKFVSFITWRCNK-UHFFFAOYSA-N 425.438 0.590 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 725872624 ZOTCXOIIDIQBBE-UHFFFAOYSA-N 428.854 0.467 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(=O)N2CCc3ccccc3C2)nc1 726715553 QBZNXBFEWKRXAF-UHFFFAOYSA-N 446.533 0.979 50 20 ICGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 726716502 DWSWHYRDLVZGGU-KRWDZBQOSA-N 432.525 0.760 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 727501525 XPSAERAJAQIALI-CQSZACIVSA-N 433.515 0.151 50 20 ICGD O=C(NNC(=S)NCC1CCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 727866446 IFQDAQHRHVTOFN-UHFFFAOYSA-N 430.527 0.756 50 20 ICGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216354 XMVALGUULFEZRQ-CQSZACIVSA-N 435.506 0.477 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2c(C)nn(C)c2n1 728318159 FHSREPSXMPEWGW-MRXNPFEDSA-N 439.428 0.729 50 20 ICGD O=C(Cc1cccnc1)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 728800095 XZTVMZVGVCKARQ-UHFFFAOYSA-N 435.531 0.663 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728848681 ZSZNCNFKVYTTOR-NBVRZTHBSA-N 433.476 0.834 50 20 ICGD COC(=O)c1cc(OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 732651294 DNEKILGGXOTRNM-UHFFFAOYSA-N 431.361 0.124 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1NC(=O)c1ccccn1 735461455 IGUKYBURUHJGLK-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743830613 ZNCZGJNEAHZVOW-UHFFFAOYSA-N 426.476 0.465 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)N2CCOCC2)cc1OC 748445625 COFABBXMBHELFK-INIZCTEOSA-N 449.508 0.030 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 748701410 TZQACQQCCUEKFB-UHFFFAOYSA-N 435.477 0.557 50 20 ICGD CCOCC(=O)NNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 755547458 OKTHCNLEYGGEJG-UHFFFAOYSA-N 430.483 0.295 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 757834777 LKPZNPJFHYHJMO-KBPBESRZSA-N 430.461 0.738 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 758048277 RMTAELOXLCXGFZ-PXAZEXFGSA-N 431.470 0.840 50 20 ICGD Cc1cncc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 760850557 GTINUIDYWJTDHJ-UHFFFAOYSA-N 433.490 0.555 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cc2n(n1)CCCO2 762085218 AWPHMTWFIOAMIC-UHFFFAOYSA-N 432.912 0.898 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 763464379 WXDXZMZAKXRQLC-UHFFFAOYSA-N 443.526 0.730 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(C)o1 763586632 PDIJKGXSACVYHE-STQMWFEESA-N 446.464 0.128 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763975333 FSLDPDPVIAFQDO-UHFFFAOYSA-N 440.865 0.696 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cn2)C[C@@H](C)O1 764169332 VEBPUPGRSSKMEE-IYOUNJFTSA-N 439.472 0.785 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COCc2ccco2)c1 764229872 CRNNCXXCJQBQFF-GFCCVEGCSA-N 438.462 0.020 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764276998 FXZSEMFKAFMHAK-GFCCVEGCSA-N 430.417 0.531 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(I)c1 764398954 IWRPFUPYUTYNNO-JTQLQIEISA-N 449.245 0.737 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 764435399 UWEIWCOVXXWVKI-HNNXBMFYSA-N 438.868 0.467 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc(Br)ccc1O 764813277 XZXHNDXLFIEFJD-UHFFFAOYSA-N 449.265 0.442 50 20 ICGD CCCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764819256 ULYZVJIMLWKCHI-UHFFFAOYSA-N 428.449 0.381 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c(C)nn(C)c3C)CC2)cc1 764820381 XKJBNVCXPLXQQH-UHFFFAOYSA-N 432.550 0.802 50 20 ICGD Cn1c(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1Cl 765026507 CPJNITXICINADM-UHFFFAOYSA-N 447.926 0.481 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 765310145 AYBNYEPGYBKRQI-AWEZNQCLSA-N 427.483 0.169 50 20 ICGD Nc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] 766635914 IWYKHLNTSDUKNO-UHFFFAOYSA-N 444.423 0.535 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn(CC)c(C)n2)c1 768037060 QXUWPQSDGLYOTI-UHFFFAOYSA-N 443.551 0.865 50 20 ICGD CCc1nn(C)c(Cl)c1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 768407170 MCLGDCHYBWEJGK-UHFFFAOYSA-N 441.945 0.724 50 20 ICGD COCCC(=O)N1CCC(NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770412718 MWYGYDIWQVYFFH-UHFFFAOYSA-N 434.501 0.941 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)nc21 770964479 CLKXIORTGLCWNN-CQSZACIVSA-N 437.464 0.850 50 20 ICGD COc1cc(SC)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 773528601 FGRWZJCGHDOSEQ-UHFFFAOYSA-N 427.446 0.793 50 20 ICGD Cc1cnn(-c2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c(C)nn2C)c1 777761980 FGGJGHFQEHDUIM-UHFFFAOYSA-N 445.505 0.548 50 20 ICGD CN1CCN(C(=O)CN2CCC(N(C)C(=O)/C(C#N)=C/c3ccc(O)cc3)CC2)CC1 787330279 AYYCGFAKEWFIME-XDJHFCHBSA-N 425.533 0.996 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 792803484 TVVFQVKLOSMCOK-MGPUTAFESA-N 449.529 0.812 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F 793351292 VLUXZBKBLREZPO-UHFFFAOYSA-N 432.842 0.621 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 799325845 NBDZQVRBHDXTII-LBPRGKRZSA-N 426.564 0.863 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 803490166 GDDCHFBBUAAFGW-GOSISDBHSA-N 435.440 0.810 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccc(Cl)cc1)C(F)(F)F 806563899 CZRAJFHLCUIYEY-LLVKDONJSA-N 446.835 0.872 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 807581684 LAMJCGQYQBUBIG-KRWDZBQOSA-N 437.566 0.354 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 810586140 XFXNVTVRKTUMRG-UHFFFAOYSA-N 436.425 0.560 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1 813788946 DIMRBUQDYNYITH-FTRWYGJKSA-N 438.550 0.887 50 20 ICGD Nc1ncc2c(n1)CCCC2=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 814688707 JORRGLCFYGCJCS-UHFFFAOYSA-N 430.490 0.550 50 20 ICGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691198 IEPOAMGDDVRJQI-JTQLQIEISA-N 434.478 0.427 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1-n1cnnn1 815751542 DFASIYOZIQQXIF-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1C 819494347 NEIVOTJUCUTYDE-AQTBWJFISA-N 446.533 0.915 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)c2ccccc2c1=O 828059501 PBIOLKJCGKPNFF-CVEARBPZSA-N 439.453 0.399 50 20 ICGD Cn1c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc2c(=O)n3ccccc3nc21 915165023 WOEPRLTZANYTTN-UHFFFAOYSA-N 439.453 0.665 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)N[C@H]1CCS(=O)(=O)C1 915880241 BSBACMYXYNVOMY-VIFPVBQESA-N 447.395 0.728 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1 916231981 BMJVNAHIXHBBKP-UHFFFAOYSA-N 439.519 0.742 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O 916636168 QHRVFIAHTXHOIZ-UHFFFAOYSA-N 443.485 0.493 50 20 ICGD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886886 XEMHWSVDXMYIEM-GJZGRUSLSA-N 442.563 0.364 50 20 ICGD O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212421 JJTSYIFFGCWEOX-SECBINFHSA-N 444.922 0.802 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cn1 1318668272 RDDKPRZJVBNQFQ-CQSZACIVSA-N 441.897 0.068 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN([C@H]2CCC[C@@H]2O)CC1 1319425249 PRTGIHFNVZXYMU-HOTGVXAUSA-N 438.554 0.302 50 20 ICGD Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CC[C@@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1329216221 VBSXTTIFYXFIRE-HUUCEWRRSA-N 446.338 0.620 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(Cl)ccn3)CCO2)C1 1779031552 BAYJHHZFBPZFKG-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1779034746 UGTBJZINZIIRKP-JOCHJYFZSA-N 427.505 0.709 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779692370 HGMCVCWZPIDRIU-UZLBHIALSA-N 433.896 0.965 50 20 ICGD COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771116 DOQHFOATIJZULU-XNRPHZJLSA-N 425.295 0.854 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1781595070 ZNCVXRSRIMOMOR-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1783871264 OPKOHLKTUAATLB-KBXCAEBGSA-N 441.941 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cnccc3n1)CCO2 1783934512 GCUXIQNMBPTUEH-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(O)c1 1784981919 OACJCDHJJOVILH-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792983940 VQDMMZMUANATQQ-CRWXNKLISA-N 449.907 0.135 50 20 ICGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795299691 IEBXJIROJAWCFP-DLTLXFJOSA-N 432.901 0.974 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795739702 CTBCRIZKGMIXKP-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796363054 QKQRDJYBQOKXBF-XVIXHAIJSA-N 436.912 0.353 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796860611 MOFSEKMKLOEMKW-SJWGOKEGSA-N 428.323 0.575 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797385106 UCYCKUJUVKBURS-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800130378 HDLOBSVRDOHUKR-CXHZTBPHSA-N 439.944 0.176 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800529529 QLTGKCRKKOPYQS-DMQFUELUSA-N 444.438 0.597 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(=C/c1ccco1)NC(C)=O)C2 1800977070 HPBDBLKGBXVDLH-NRYXJOBSSA-N 439.896 0.600 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010684 PZRNSVSAVABILA-FAQVEIGNSA-N 433.553 0.527 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802969294 CHPSILWUALOVMX-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803612959 SZPFZSVQYGWYFA-HGWQEYRNSA-N 439.321 0.488 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1804498369 YOQYRUAAQRKBNE-HRAATJIYSA-N 443.508 0.395 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805889351 HFFKOJATSJPSBC-PKOBYXMFSA-N 433.277 0.128 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1)C(=O)O 1813030051 CWLVUDJOENUERH-DLTWYDFYSA-N 426.901 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1813072219 BUVOBMDDWKZKFZ-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813297711 MAKGLDCQVHSOMK-ASOQJVPHSA-N 445.288 0.518 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1815056704 PSLLHLIGYZILSU-RKDXNWHRSA-N 432.344 0.433 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1O)CC2)c1ccc(B(O)O)cc1 1815344290 RNFAVGZHLPZOCM-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD Cn1ccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354694 AUVATILFHYJMGH-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1 1817475538 SDXBWLUDRDYRGS-GOSISDBHSA-N 436.281 0.601 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)NC=O)[nH]n1 1818113543 PNFGZVXMYAHDEI-YARHMNOQSA-N 442.480 0.670 50 20 ICGD Cn1ccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402104 NDPZCLGTPFVORU-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc[nH]n2)[nH]n1 1819403984 RAMCUZJGTVLXLP-INIZCTEOSA-N 437.464 0.680 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)Br)n[nH]2)N1 1820931149 LNAUBPHERNYLIA-AUTRQRHGSA-N 445.249 0.690 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822371339 TXZFVPNIWFIPIX-HIFRSBDPSA-N 449.899 0.968 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416284 ZRLYPEGSUFGYEM-FOGNVHKLSA-N 440.570 0.934 50 20 ICGD O=C(CN1CCSCC1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1829716940 ORETZILBDLHZHP-MRXNPFEDSA-N 426.366 0.295 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364406 IZZBPGUPHKOBDR-BEFAXECRSA-N 427.933 0.636 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736445 SLHVODGWKAMRMX-LAUBAEHRSA-N 449.891 0.610 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831112101 VNYQGJAJIZYTHE-GJZGRUSLSA-N 426.901 0.780 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832207850 AEJZPQHXJHLATQ-YWZLYKJASA-N 435.912 0.905 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cn1 1834079961 KTRRUUYWZASMHB-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1834421169 MXEFQMXJKCYRFL-UHFFFAOYSA-N 445.402 0.675 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1834530355 FLRPLJNDVLSXJM-XJKSGUPXSA-N 447.261 0.246 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cccn1 1834826343 LOAPCWTZKWWPPL-WMLDXEAASA-N 429.315 0.686 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834826417 PNWSONZTPFYHDB-CRAIPNDOSA-N 443.342 0.994 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)CC)CCO3)cn1 1839143130 MDJRBVMYKLXDPP-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839648424 KWNIKJZTGSCKBL-XHPFXEFZSA-N 432.315 0.266 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031338 MSZLVRLYDFOBKX-RHSMWYFYSA-N 429.315 0.431 50 20 ICGD O=C(C1CCC(O)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840274574 OCKOSSWXAUBFBO-GROLMSMHSA-N 437.306 0.684 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1840406346 UXVRGLAVFAIYCR-CPUCHLNUSA-N 447.305 0.899 50 20 ICGD O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)NCc1ccccc1 1841328651 XSOLAVYYCDBEEK-VAWYXSNFSA-N 447.300 0.056 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CCOC1 1841352930 UZSIVMPQUXSMKB-BFUOFWGJSA-N 431.917 0.473 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305453 MDLQGRKMPJXMNF-OAHLLOKOSA-N 449.939 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CSc1nc[nH]n1)C2 1843417196 GRSPLZRWZISHEL-WSDLNYQXSA-N 430.494 0.234 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc(O)n3c1CCCC3)C2 1844264641 SQPVVUOXDZGYHU-UHFFFAOYSA-N 439.476 0.054 50 20 ICGD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1)C(=O)O 1844692264 CMERUBJTGQCTIT-HNNXBMFYSA-N 448.432 0.400 50 20 ICGD COCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN(C)NC(=O)NCc2ccccc2)CC1 1847802770 UGBOBBNLLGKTAD-OALUTQOASA-N 443.548 0.961 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1C 9889981 NVTWDAQOUBFBQQ-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 26633656 CPMQRNFELNGDCX-VIFPVBQESA-N 445.295 0.664 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 729536499 GKMYPNHYICVODH-UHFFFAOYSA-N 438.492 0.687 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2c[nH]nc2C)cc1 732082830 ORPQXFSVAUACTC-KRWDZBQOSA-N 433.490 0.925 50 20 ICGD O=C(COC(=O)c1ccnc(N2CCCCC2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 740321067 WAHCCOCEKJOZFM-KRWDZBQOSA-N 441.444 0.611 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1 744562056 WCGZCEFSJFOSFD-ZHACJKMWSA-N 431.470 0.890 50 20 ICGD COCCN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1=O 747943103 JPDJZCUJZMKWAY-LBPRGKRZSA-N 439.519 0.882 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)NNC(=O)[C@H]1COc2ccccc2O1 755031509 CYZCPUUEEUGOMO-RHSMWYFYSA-N 443.412 0.394 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 755972759 LDCTWCVTYNENKR-UHFFFAOYSA-N 449.855 0.339 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 758775264 WHXOKSMQYPTYTD-NEPJUHHUSA-N 436.494 0.567 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 759278347 WFVLCKXSPSKPSE-UHFFFAOYSA-N 426.539 0.222 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3cccn3C)ccc21 761138833 UHVRTCHLTWXQTH-UHFFFAOYSA-N 427.465 0.756 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1OC 761633530 KIZXMHLNNSZSHN-UHFFFAOYSA-N 425.488 0.905 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 762852078 STIRGQNYZQJXSZ-ZDUSSCGKSA-N 438.535 0.671 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1 763625433 QZUAMGAEFKIQMU-UHFFFAOYSA-N 433.486 0.747 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1F 763680595 FRAMTEORCQIKJK-UHFFFAOYSA-N 438.379 0.146 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 763727292 BOAAAZJXBDUYQN-QGZVFWFLSA-N 426.477 0.601 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 763860980 NBSSSKCTAHZYBC-UHFFFAOYSA-N 443.485 0.713 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763918837 JDBCGXRCKGBFLR-UHFFFAOYSA-N 448.476 0.961 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 764083309 IHGFEKKSZUHPAX-ZDUSSCGKSA-N 437.472 0.619 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1 764105335 QBAUIFGJWSZDMB-UHFFFAOYSA-N 446.485 0.907 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)cc2)C(=O)N1 764126359 IILQZHZXDIBOKM-NSHDSACASA-N 444.831 0.651 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)o1 764138776 KDXXSRQLVUZFKZ-UHFFFAOYSA-N 441.444 0.747 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 764231744 PTTWYGHJOVPYLX-GFCCVEGCSA-N 448.505 0.163 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1F 764263299 DWMRNKCVMIBFQS-UHFFFAOYSA-N 426.412 0.784 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1ccccn1 764270004 AULPLOKVUCOKBQ-UHFFFAOYSA-N 447.517 0.748 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 764317823 OOQRTRHCHARRLP-UHFFFAOYSA-N 427.357 0.111 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 764392584 HAAPFFYVQUVHKU-UHFFFAOYSA-N 432.458 0.438 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cc(F)cc(F)c1 765119537 YIADLGCOODRVAU-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652018 NIEQJAYCOCCWQL-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662830 GOJGNGGJQJQUHO-UHFFFAOYSA-N 447.923 0.481 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 769764515 DHKAQELHVWWVJF-ZDUSSCGKSA-N 432.593 0.616 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNc3cnccn3)cc(-c3ccc4c(c3)OCO4)nc21 775280728 MBGIRULOCLMGOI-UHFFFAOYSA-N 433.384 0.977 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCOC[C@H]2OCCOC)nc1 777275195 OGEIOMBIXVAMFY-HZPDHXFCSA-N 445.542 0.559 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1COC2(CCOCC2)O1 777760029 QQQISSFEECJEMZ-IBGZPJMESA-N 447.536 0.451 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)c(Br)c1 779845655 HBDKTTDCQHDAIK-UHFFFAOYSA-N 438.256 0.291 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2I)CCS(=O)(=O)C1 783424825 FULXPXXPWSXCIL-CYBMUJFWSA-N 437.259 0.428 50 20 ICGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004269 DCTDWRLKGMCZOD-UHFFFAOYSA-N 431.474 0.402 50 20 ICGD N#CCCCN1C(=O)CCc2cc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 787478932 PBVPEJXXRBCIEB-CQSZACIVSA-N 433.490 0.857 50 20 ICGD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 789758961 VEUOMMZLDWGGIJ-UHFFFAOYSA-N 428.405 0.833 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 789811940 HJKPJENNZFWDSN-BZSNNMDCSA-N 427.461 0.721 50 20 ICGD CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 793313857 ZXHGBGWAQPVAPJ-MRXNPFEDSA-N 439.538 0.204 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 794072370 WFOXTCBSIYBYJM-UHFFFAOYSA-N 428.401 0.219 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCCc2cccs2)cc1C 794581837 QRHUEFHLZSRFRS-UHFFFAOYSA-N 432.549 0.700 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OC 797027988 JPSLIBHOUIHEPH-UHFFFAOYSA-N 439.428 0.697 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1=O 798308552 CUBPICAIPFWIBT-WMZOPIPTSA-N 429.521 0.722 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 803038441 SWOPAKFJOKTPPL-LLVKDONJSA-N 428.349 0.974 50 20 ICGD O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 804952769 SHNXOWUALSKLIX-SOUVJXGZSA-N 447.521 0.215 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 805044317 NEANEXYQOACAMW-LLVKDONJSA-N 433.387 0.673 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[S@@](=O)C[C@H]1c1cnn(C)c1 805751976 UOMLPFYXSMUWPO-PEGYKEAPSA-N 439.925 0.649 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 807460372 HSPSGSNEEBIDTN-CQSZACIVSA-N 434.453 0.984 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ncn(C)n3)c2)cc1 809979979 FKCXYUCSSWYRQZ-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1F)NNc1ccc(S(=O)(=O)NC2CC2)cc1 810318240 ULCATMJPZWYHCD-UHFFFAOYSA-N 442.494 0.688 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)n[nH]1 810584395 RUTSIKMJMATAJE-UHFFFAOYSA-N 447.448 0.964 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)cc1 812726979 BKTCOYBBXSGBFF-UHFFFAOYSA-N 442.519 0.650 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)NC(C)(C)C 815778355 NNVBWUVKMKIKJZ-CYBMUJFWSA-N 426.495 0.337 50 20 ICGD CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778826 HFNPXSRMSSJMRQ-CYBMUJFWSA-N 433.870 0.028 50 20 ICGD CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2CC[C@H](B(O)O)C2)cc1 864234888 XXKFUADPONFJRO-DLBZAZTESA-N 438.355 0.593 50 20 ICGD CC(C)(C)OC(=O)NC1CCN(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 917126833 OFBASARFWVBPIM-QGZVFWFLSA-N 434.493 0.963 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n[nH]2)cc1 917178356 INICPUVOHIMKQP-UHFFFAOYSA-N 426.458 0.644 50 20 ICGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 919889790 UJAGJYOBWYUAFT-NWDGAFQWSA-N 426.520 0.279 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 920308768 BTFDVBSRHQFMMA-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1115989985 KSSGRAKHKXGWQU-UHFFFAOYSA-N 446.533 0.768 50 20 ICGD Cc1ncc(Br)c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)n1 1321896483 WHPWMYJSBRPGNA-UHFFFAOYSA-N 442.133 0.988 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832528 FWWTXCHNRZLGCH-PXAZEXFGSA-N 437.298 0.741 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779471939 GUJJBUIIDAEMQF-CBGDNZLLSA-N 426.558 0.687 50 20 ICGD C[C@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1781241672 NTMXVPFXVDQWBI-CKFHNAJUSA-N 446.932 0.083 50 20 ICGD O=C(c1cnn2ccncc12)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329410 FMWHJYPQPWSRHF-CZUORRHYSA-N 426.246 0.863 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783329089 DORKLJNMIXXGRV-QFIPXVFZSA-N 432.521 0.441 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)C)[C@H]2C1 1784185888 UCRJPQXGZUQDCN-UKZVOZDVSA-N 433.509 0.117 50 20 ICGD O=C(CN1CCOC1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1786247438 UKIALFJUJRMOOP-UHFFFAOYSA-N 437.261 0.566 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)c(=O)[nH]c1C 1786401129 QFLWRYIAFIPZOZ-IHRRRGAJSA-N 441.326 0.765 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1787508118 HALPSQDFYSUIIR-DWJZEIJXSA-N 431.493 0.279 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790901153 SYSLYKHRPQYQGS-XTMJBTMZSA-N 440.349 0.786 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1791252621 QEULQZAYGCKJET-OHTBPHCPSA-N 426.857 0.022 50 20 ICGD CN1CCN(CC(=O)NC2(c3ccc(NC(=O)CCC(=O)NN(C)C)cc3)CCC2)CC1 1791601468 BDNBXXIUERBPQI-UHFFFAOYSA-N 444.580 0.741 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793092229 KRJZQEKJXZUSEL-LORHWOILSA-N 438.908 0.595 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(Cl)ccc1F 1794234675 FSYXUPCYLCBSLD-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2[nH]ccc2n1 1797397029 OGCPWKRTMMRVFJ-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD CN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)o1 1798440559 AVEOTJLCTGHKMU-CLLJXQQHSA-N 427.465 0.305 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1onc2ccccc12 1799979059 NNNJCRMGGNWYHS-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800757243 BVSVCRVPXQYFNK-XHSYRHOGSA-N 427.255 0.161 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1800970313 BQRRQYDCNNRZDD-SFNKJDCFSA-N 437.924 0.602 50 20 ICGD COc1cccc(OC)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011779 BRAHBLMMDUFQTC-USGNIVHTSA-N 448.520 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NN1 1801215357 RVWMEAGOJAWKJV-DMUMMCEESA-N 440.548 0.764 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297799 DHBODVXONAOARP-KQXIARHKSA-N 432.344 0.517 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803130163 OMXUICXOTWUPHC-HNKHHVNMSA-N 425.493 0.703 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804366227 NZCHJVCBTYDFGN-VDZJLULYSA-N 445.907 0.512 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n(C)n1 1805638021 KDOFCLBFDRPPOF-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805901876 ZCIHGYNOPHFWAT-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1805949420 VTSULINWXFSSNC-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365261 MKLIQDLTVNFESB-YYWHXJBOSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369350 HLCQZNRXUKFNPI-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371078 PCYRQJQZTTUCKT-TZIWHRDSSA-N 437.305 0.508 50 20 ICGD Cc1nn(C)c(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)c1F 1807804255 WKWWBCOBHMOSCO-UHFFFAOYSA-N 442.300 0.706 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1808354211 DQWBRVNUTQWYCX-OKYOBFRVSA-N 431.924 0.652 50 20 ICGD CC1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809977271 COXNYZKRCRJYAV-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1 1810299554 SKIVJYVCAIOWCD-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1c1cccnc1 1810308711 NBPOIAPCCCFNBS-BXWFABGCSA-N 438.488 0.436 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)nn1C 1813070470 JJDBIFQONRWNKR-UWJYYQICSA-N 441.536 0.816 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)cc21 1814871938 DPUATQRKHRNNOW-ZFWWWQNUSA-N 449.899 0.645 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348368 LODDREDWMBQWQP-DZGCQCFKSA-N 449.363 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[nH]1 1815624423 BEPJGXRQNHKSHJ-HNNXBMFYSA-N 446.512 0.383 50 20 ICGD CC[C@H](NC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403060 UAVPKPOEIYKUEE-HOCLYGCPSA-N 428.497 0.712 50 20 ICGD Cc1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819949935 PGZXFDYQDGRLET-QGZVFWFLSA-N 434.265 0.808 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822658795 UAIRMIZVVOKFQP-DVBCCOPCSA-N 434.265 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829538763 CRJKHNPFWFIOBU-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(O)cc1 1830733861 WIKRXPPNGMSPLB-VHFSOBRXSA-N 426.897 0.552 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830737207 DXHJDHXTOZPPCR-QCBUCWTNSA-N 446.928 0.022 50 20 ICGD CC(C)c1csc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833280776 HDJYXKPVDLBROY-KSSFIOAISA-N 431.942 0.936 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621439 PZLAKBIDYWTXIG-SFHVURJKSA-N 430.977 0.144 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834856507 NZRKZZVUMUANMS-DZGCQCFKSA-N 425.251 0.087 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835937375 SHWUYKWRNPKKRB-WZONZLPQSA-N 442.321 0.183 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836918893 MKOOPRWLVNRPJC-IAGOWNOFSA-N 430.977 0.985 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837485779 PTEHNIRSMVZUTI-SJKOYZFVSA-N 432.308 0.537 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792995 RUSKJCHEJMNJFI-PXAZEXFGSA-N 429.861 0.795 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n[nH]1 1838656149 VXVGPRLYRWODNQ-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)o1 1839152153 PIBQPRYVVQXCEU-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839336872 YRJSGQBQJFQFHA-RXVVDRJESA-N 448.907 0.542 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1839962498 HSZOGUYAAAXZJK-KDOFPFPSSA-N 448.358 0.531 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840030154 CAXPLBFOJAKICM-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1840154248 QJNMCWRNHKFRPC-KXBFYZLASA-N 428.917 0.788 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cn2ccc3c(F)cccc32)C1 1841321626 IJPGRQSPNFYKFZ-UHFFFAOYSA-N 435.264 0.977 50 20 ICGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348670 YGIRQNIRFKBEPC-MRXNPFEDSA-N 433.892 0.405 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012701 GQIPVHGMPDJXKF-UHFFFAOYSA-N 430.310 0.695 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846348297 LHHZQFJIZOAJFL-NVXWUHKLSA-N 428.294 0.163 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846483166 RCPFPXCZJRVPGS-CHWSQXEVSA-N 429.901 0.716 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 727479404 IDONJUJFRYZPCU-LJQANCHMSA-N 441.488 0.648 50 20 ICGD O=C(COC(=O)c1csc(-c2ncccn2)n1)NNC(=O)[C@H]1COc2ccccc2O1 728330722 WHCLLZCVJPQZJA-CQSZACIVSA-N 441.425 0.744 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728339571 YAAPYHQJQUROLA-KRWDZBQOSA-N 448.453 0.624 50 20 ICGD CN(C)N(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCS(=O)(=O)C1 728805420 WSIMBGGJZPFUPF-JTQLQIEISA-N 439.353 0.959 50 20 ICGD O=C(COc1ccccc1CNC(=O)NNC(=O)Cc1cccnc1)NC[C@H]1CCCO1 728949781 YIXXCRGVOVQQKL-GOSISDBHSA-N 441.488 0.829 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 731355023 FUFPOBPTDHXSKC-UHFFFAOYSA-N 427.483 0.102 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C\c2ccccc2OCC(=O)N2CCCC2)c(=O)n(C)c1=O 732578605 SJENSUGGKAQTJS-PTNGSMBKSA-N 437.456 0.457 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)NCc2ccc(Cl)cc2)n(C)c1=O 733003250 CFMSJKLDURKGNJ-UHFFFAOYSA-N 433.856 0.008 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 733150167 JVMNDQNUGMYDKM-MSOLQXFVSA-N 443.552 0.173 50 20 ICGD Cn1c(NNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)nc2ccccc2c1=O 733264088 WQSGVJUCBIZGGF-UHFFFAOYSA-N 440.485 0.971 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cnc2ccc(Br)cc2c1=O 740852915 PLIILICWVMXYMW-UHFFFAOYSA-N 438.282 0.611 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc(OC)c1OC 741144283 PGQBWXNDCPADCF-CQSZACIVSA-N 441.440 0.992 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 744447718 NLPNMJMGMRMZFL-QMMMGPOBSA-N 425.239 0.106 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 745863483 VMQKZPNKAUWESH-QGZVFWFLSA-N 432.573 0.297 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 746093403 FUVFMGCSTPJIDX-GJZGRUSLSA-N 425.507 0.742 50 20 ICGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nn1 746097243 DIOGKHKXLFXMSB-UHFFFAOYSA-N 442.885 0.269 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 748614526 UGZHUIQZDOFGRN-MRVPVSSYSA-N 435.359 0.621 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCC1 749367509 XQVMTFYYPJSGLY-UHFFFAOYSA-N 430.465 0.250 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 753121765 UBYRCRRTHBYUOB-HNNXBMFYSA-N 440.485 0.481 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)C1CCCC1 753346693 WJCVOQQOJDEUAA-UHFFFAOYSA-N 438.535 0.929 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc2nc(N3CCOCC3)sc2c1 755534296 SNXXMYXBIUCEJS-LLVKDONJSA-N 439.519 0.720 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(c3ncccc3F)C2)c2ccccc2c1=O 756157686 CPKGWRXGHYEZEC-LBPRGKRZSA-N 425.424 0.691 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 756757893 DAZZCVMMXNNCSC-UHFFFAOYSA-N 433.432 0.830 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)cc1 757720083 JCUWVJCPTZEBPU-CYBMUJFWSA-N 437.526 0.308 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)c(C)o1 763581650 CIJDWLACQWGJNL-UHFFFAOYSA-N 438.437 0.975 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c(F)cc1F 763661552 OCVNKFFUHFMCRD-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)cc2C1 763942832 PBBYSUKCLUBWJF-LLVKDONJSA-N 432.506 0.557 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCc2cc(Br)cc(F)c21 763996615 FGZVMYMJMNGICX-SECBINFHSA-N 448.270 0.059 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)cn1 764066926 LYBHBLOZYHBLSI-UHFFFAOYSA-N 438.444 0.199 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764127475 VZNSEMCBTFAFQK-UHFFFAOYSA-N 426.838 0.353 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1 764176383 AOIMHQWNGPYYMG-UHFFFAOYSA-N 434.474 0.781 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1OC 764512371 GOWZXYPHEDJSOX-UHFFFAOYSA-N 441.488 0.989 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)N1CCCCC1 765118325 ADLSOWFRJSYFJQ-UHFFFAOYSA-N 429.974 0.809 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765568757 QSJGEXFAXRSYRJ-UHFFFAOYSA-N 431.455 0.744 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc([N+](=O)[O-])nc3C)n[nH]2)cc1OC 765596942 BOKJVQDMKHVIOS-UHFFFAOYSA-N 429.393 0.968 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 767270146 PXUGYQYMGQSKHY-USXIJHARSA-N 429.473 0.792 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ncc(Cl)cc3Cl)cnc2n(C)c1=O 773678739 ZWSKKPHYHAWQTD-UHFFFAOYSA-N 438.231 0.416 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 774001005 CGTKPSAQQGLJOB-NSHDSACASA-N 448.867 0.369 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 783999933 NNKRWKJBLAUAAF-UHFFFAOYSA-N 447.455 0.847 50 20 ICGD COc1nnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 801748171 MSHMDDROJJPGQI-UHFFFAOYSA-N 442.479 0.034 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806568981 GMVBTSZMJDMSAO-CABZTGNLSA-N 444.407 0.746 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810385315 REYGFEMEPGVPTN-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 813033691 HAYOOIKVULVDQK-UHFFFAOYSA-N 446.489 0.209 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 814737279 ZPUWOAHUESXXNJ-UHFFFAOYSA-N 428.478 0.526 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1NC(=O)CN1CCCCC1 815778655 ASGJUHOAAXWASR-QGZVFWFLSA-N 431.493 0.684 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778828 HJNXAJMTPBFALA-MRXNPFEDSA-N 440.522 0.599 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c2c(O)nn(C)c2n1 915188096 QMKPMTRWBARRCQ-UHFFFAOYSA-N 437.504 0.956 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2F)cc1C 916562804 ZWFSFFAVSPQFEE-UHFFFAOYSA-N 436.465 0.897 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 916622245 BWUNERACKLWEPW-ZDUSSCGKSA-N 430.527 0.901 50 20 ICGD CN1CCC(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 920307039 RGCZPXGCJFBBBX-UHFFFAOYSA-N 425.580 0.674 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 920433328 RTUIHMZUSYIMIV-CYBMUJFWSA-N 426.395 0.824 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)C1 1779030846 YASBSMBPDRWPKV-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1779031751 FQFZAXAWQBZAQX-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Cl)cn3)CCO2)C1 1779032811 ZWEUHVDQAZLUIG-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779460765 IGJXHOIHSCJEEF-RXULLKCLSA-N 425.449 0.054 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1781903348 RWRSSQNOQMQXHJ-JJRVBVJISA-N 428.331 0.966 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933459 ZMFACTBUHIUUBF-HTAPYJJXSA-N 446.552 0.195 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1783974103 HMKYDVAPMWXHNK-VOAKCMCISA-N 437.356 0.815 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784685428 PTISELRXLLWVFV-IRUYWQDXSA-N 441.318 0.288 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1790963846 MENZUYAOIGAILX-LXFSFDBISA-N 428.331 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3)[C@H]2C1 1791567405 SUQCUUYLHBNWLI-BZSNNMDCSA-N 434.541 0.016 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976250 SFZFQYBNTNXCKW-OCVGTWLNSA-N 439.896 0.450 50 20 ICGD C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793592263 FTXDIBIMLZIBRS-NPJQDHAYSA-N 445.944 0.645 50 20 ICGD Cc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1795308390 RWQUCQHPJDGKJH-FAQVEIGNSA-N 432.521 0.336 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2)[C@@H](F)Cl 1796371405 XHRNOMORVYNVDZ-CABLIKTCSA-N 439.915 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(C)C)C2 1796446028 KFZOHYXIIFGPRF-GWGBFROSSA-N 432.525 0.050 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2 1797750710 QFRQGZJCSXHCHI-CCWDJLKJSA-N 449.471 0.078 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797893788 KXGYERLCGCYCMP-QKGCVVFFSA-N 428.331 0.535 50 20 ICGD O=C(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)Nc1ccc(F)cc1 1799032407 OPKDWJPXEBXFBG-TYYYEBLRSA-N 427.860 0.344 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)c1cc(=O)n2[nH]cnc2n1 1800159635 VDRDPHGLYZXXMZ-JXVAYASWSA-N 427.234 0.360 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1C)C2 1800974174 NZPAIGPRCVDDOK-YHDCXSKOSA-N 435.952 0.887 50 20 ICGD CC[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1801799035 VHNUOMACKKPPDJ-USZNOCQGSA-N 426.248 0.523 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1802272953 ISBHTKZFGRVTTQ-FZKCQIBNSA-N 435.974 0.550 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804501895 ZFRTXZPJKGKBSK-DENIHFKCSA-N 447.304 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1807519631 ZTRXRKCOWGARAR-HTAPYJJXSA-N 441.536 0.437 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N1CCC2(CCCN(C(=O)CCBr)C2)CC1 1809070579 VOZFHHCHQISVKJ-UHFFFAOYSA-N 426.311 0.928 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809682901 MECNDFRUCSRMQD-KGLIPLIRSA-N 431.375 0.984 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810006923 AGEASIKLUBGVHW-UHFFFAOYSA-N 444.728 0.761 50 20 ICGD C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305918 QISYAYQTFQNWPX-JDFRZJQESA-N 428.518 0.718 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1811000148 RQNHQGPFLXBNTL-UWJYYQICSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1813070588 KKVYEGLFPZXLCP-IERDGZPVSA-N 427.509 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1 1813071234 QVWMASAUYMWOHX-GCJKJVERSA-N 439.520 0.493 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)c(=O)nc1O 1814875842 LUBFPNDZCVVZDM-OLZOCXBDSA-N 438.872 0.272 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)COC)[nH]n1 1815168042 MHAPMFBPAOCICC-MBNYWOFBSA-N 449.961 0.983 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360082 LRBVCFOCFKNAHQ-KUCQQTCKSA-N 442.306 0.089 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817264117 HGBRBMDUPFXBGY-BOFPYLFWSA-N 427.314 0.769 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1 1818659364 OWQYBTISVKJRKD-OHQOEKQFSA-N 444.517 0.960 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)Br)CC2 1819472415 HDXIYTWYQRJQPP-BFHDXFOESA-N 449.327 0.903 50 20 ICGD C/C(=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1)C(=O)O 1819801501 MUBLWAGWBFWSGH-ABRRARGCSA-N 444.473 0.398 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820953936 QYEZVYZEXUAKOL-IRXDYDNUSA-N 439.281 0.016 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)N1CCN(C)CC1 1822683106 IPQQSSHVQJCIAQ-MBNYWOFBSA-N 429.974 0.291 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)s1 1826994174 ZPVDJYILYMJXLR-QGZVFWFLSA-N 442.350 0.952 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1832549259 JZBHGVGVZOFUPD-LIRRHRJNSA-N 444.916 0.489 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)s1 1834822449 NWLBACZDPFJHLK-INIZCTEOSA-N 447.355 0.630 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836160897 AEYOHFFYFKOVTD-RHSMWYFYSA-N 429.315 0.371 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202058 IHRPGFRIFDDQPA-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839073818 WNKSRCRODKUQDT-UGSOOPFHSA-N 437.896 0.890 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839151463 RZNULYOQSUDEJL-ZWKOTPCHSA-N 432.304 0.626 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198150 VRCAFBSDQDXHSR-WMLDXEAASA-N 446.273 0.851 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201814 KCWINIWGHBSENG-DVOMOZLQSA-N 438.294 0.934 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1839898183 LESCAUOUMRZTKU-IRXDYDNUSA-N 437.320 0.632 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840031251 JRGOXHVYQHRRRD-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031337 MSZLVRLYDFOBKX-PBHICJAKSA-N 429.315 0.431 50 20 ICGD COC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)c1ccccc1 1841239111 HSAHSTQHQFCBIR-LJQANCHMSA-N 445.520 0.660 50 20 ICGD CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1Cl 1842253133 ZTRRZGYBLZPOCE-UHFFFAOYSA-N 445.911 0.765 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccc1C 1843012273 WXJPEFAQKYLJSL-UHFFFAOYSA-N 435.289 0.764 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265222 HBHAUAXRJTZKHS-HZPDHXFCSA-N 441.488 0.258 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039445 POVAGSWHVFYXGY-GOSISDBHSA-N 444.580 0.876 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847559137 KDIHLSSHIGHDOJ-CAOSSQGBSA-N 445.944 0.814 50 20 ICGD CCC(CC)[C@@H](CNC(=O)NNC(=O)CNC(=O)c1cccs1)N1CCOCC1 726089485 GUVSJGGQKUNNMP-OAHLLOKOSA-N 425.555 0.945 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n(C)c1=O 731486060 BVRKFOGPSWCYEV-UHFFFAOYSA-N 433.824 0.976 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 731491241 OZQIOEQEAVUKMA-UHFFFAOYSA-N 446.529 0.771 50 20 ICGD CCn1nc(C(=O)NNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2ccccc2c1=O 731597632 HDTXQWZJXMJOPO-UHFFFAOYSA-N 439.384 0.977 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCSCC2)c1 732891662 BTNYGOBEIZILQB-UHFFFAOYSA-N 443.595 0.710 50 20 ICGD CCC(=O)N1CCCC[C@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118309 RJDVQCIDXLEPAA-HNNXBMFYSA-N 438.554 0.252 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H](C)O1 741282850 AVEXBRSVXIKEBA-QRVBRYPASA-N 446.548 0.951 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCN(S(C)(=O)=O)CC1 743522049 UTUSGDOKMXVNPJ-LLVKDONJSA-N 449.327 0.534 50 20 ICGD C[C@]1(NNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCS(=O)(=O)C1 747310312 JFSRPQRUTXZZIR-SFHVURJKSA-N 444.579 0.468 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)s1 747322808 NVFZUVYIEJYBDM-UHFFFAOYSA-N 438.469 0.546 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)Cn2cc(C(=O)OC)nn2)c2ccccc2c1=O 747345376 MZYSZDMLMGWJMV-UHFFFAOYSA-N 441.448 0.426 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)N1CCCC1 748247564 QRCLMCOGIIYLPW-AWEZNQCLSA-N 435.506 0.054 50 20 ICGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(Br)c1 750062159 ZNUZFPAYLKVTCX-ZDUSSCGKSA-N 425.264 0.940 50 20 ICGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751202852 XPBIBJGRXWLZGX-UHFFFAOYSA-N 430.446 0.538 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1Cl 753774726 NAKVQMFLTIOKKQ-VIFPVBQESA-N 425.872 0.026 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1)OCO2 753841175 QIWMWVQSAZOLNZ-UHFFFAOYSA-N 428.401 0.668 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(F)F 757917741 NVAZXGJOZXJNMZ-MRVPVSSYSA-N 425.435 0.615 50 20 ICGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 760130967 IQJLGSUERUMAQF-SJORKVTESA-N 442.538 0.855 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 760750675 LYUFTXBRQAIQJQ-GXTWGEPZSA-N 439.469 0.364 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2ncc(F)cn2)o1 760906148 OBOZBBRFJUXKTR-NSHDSACASA-N 427.414 0.682 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NNC(=O)C(=O)NC1CC1 762393405 LUARTPBRWONXFQ-UHFFFAOYSA-N 449.464 0.736 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3O)cc2)CC1 763528704 DABYZVFSRJGNAV-UHFFFAOYSA-N 439.472 0.570 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 763775189 NCMUMRTVGSLCOK-UHFFFAOYSA-N 444.492 0.957 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)cc1-n1nnnc1C 764149494 UFWFJHYHIIYDPC-UHFFFAOYSA-N 446.427 0.927 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC(F)F)c3)cc12 764250823 OEOMZZORNFKGDX-UHFFFAOYSA-N 432.343 0.663 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccc(F)cc3s2)n(C)c1=O 765724534 LJIRQVODDLMCMT-UHFFFAOYSA-N 430.421 0.249 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNc1cnccn1 766260709 SFUISNUCUFKVRU-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cnc1Cl 767464789 YZIWTFSSDZMRFF-UHFFFAOYSA-N 426.886 0.760 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)nc21 771008856 LKBGRPRRBMNSNN-UHFFFAOYSA-N 427.421 0.889 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1 777939394 MTLZHAHCOSQVTH-UHFFFAOYSA-N 429.451 0.568 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 779479378 IWXNNOWZAGLOAS-VIFPVBQESA-N 432.865 0.814 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 780970376 AUFDYXMHCHEQOJ-UHFFFAOYSA-N 431.449 0.320 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)c(F)c2)n(C)c1=O 784157047 PUGRLIZIQOAPRB-UHFFFAOYSA-N 442.329 0.053 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNc1nccn(C)c1=O 785090632 VSLNKDRIJZIDIA-UHFFFAOYSA-N 427.202 0.775 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCc3ccccc3C2=O)c1 788718992 BPRDIWAUECZKFP-UHFFFAOYSA-N 430.486 0.396 50 20 ICGD CCn1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 789292300 BKYLCXSHUGBMOW-UHFFFAOYSA-N 447.517 0.797 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792004784 JZMHMXOBGCBBDB-INIZCTEOSA-N 428.323 0.988 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)c1 793027770 ZILVKXYLCGZYLN-UHFFFAOYSA-N 439.472 0.308 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccc2c(c1F)CCNC2=O 793065833 CMPTUCVMZQPLAS-UGSOOPFHSA-N 440.431 0.770 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 794074283 AXVFGFCVESYVHZ-UHFFFAOYSA-N 444.517 0.921 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 796177810 RJYXHEROIDBQRF-UHFFFAOYSA-N 447.513 0.721 50 20 ICGD O=C(Cn1c(S)nc2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 799715361 CXGXMKVPJILYQZ-UHFFFAOYSA-N 445.888 0.802 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 807378389 BDCSDQDJOCVWIQ-CXUHLZMHSA-N 435.550 0.687 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 808103892 ODFKSAKJSITUIG-UHFFFAOYSA-N 446.913 0.097 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C#N 812542425 BBYPCTQMIBQLTQ-UHFFFAOYSA-N 431.474 0.961 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)cc1 813034005 VBFIGRPIPYVEFI-UHFFFAOYSA-N 434.474 0.796 50 20 ICGD O=C(NNC(=O)c1c(O)cnc2c(Br)cccc12)N[C@H]1CCS(=O)(=O)C1 813420437 JPPKZFGHZNXAIM-QMMMGPOBSA-N 443.279 0.834 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCc3cc(Br)ccc32)c(=O)n(C)c1=O 814784589 GDNUSHVKDIZDIN-UHFFFAOYSA-N 438.307 0.800 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 815691037 CZWBFBWDMUYRLM-CABCVRRESA-N 442.476 0.575 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(I)c1 815779377 CPLCUBIVHFJBCD-LLVKDONJSA-N 433.202 0.565 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 817053215 IVFBJVHJYZIRRY-IBGZPJMESA-N 431.474 0.748 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 817054522 MTBXXXSLUCEHOZ-IBGZPJMESA-N 431.474 0.748 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNc3ccccc3)C2=O)cc1 823328054 YQCDFZIMVHBTAZ-OAQYLSRUSA-N 425.445 0.722 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 915857393 AQTMAOYSNRJCBM-UHFFFAOYSA-N 435.483 0.338 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2c1=O 916746575 WOPFDGPVCXHXKQ-UHFFFAOYSA-N 444.473 0.490 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cc(F)cc(F)c2)ccc1Cl 920210945 SQEJXEROSSCDKH-UHFFFAOYSA-N 446.819 0.457 50 20 ICGD O=P(CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)(c1ccccc1)c1ccccc1 1319744951 JURXNYOJUGMODB-FGZHOGPDSA-N 448.525 0.776 50 20 ICGD Cc1cnc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)cnn2c1 1779017444 DPQAPWBHJCWUOE-RZQQEMMASA-N 435.912 0.765 50 20 ICGD O=C(CCCCn1cccc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779196513 VDWLDGWCZRFSSI-HSZRJFAPSA-N 439.321 0.482 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779956165 UEFTYHSXUMJOFP-KPZWWZAWSA-N 440.909 0.453 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2)NC(=O)NCc1ccccc1 1780968484 AKIDDHORSNDAKU-HSZRJFAPSA-N 443.548 0.963 50 20 ICGD O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332842 FPXVAMISZMUKIW-COPLHBTASA-N 427.292 0.084 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335257 WZUOLRMQFJEFMQ-DZGCQCFKSA-N 433.234 0.081 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)ccn1C)C2 1782174006 XKBNWHKOVDFTOB-XAUMDUMWSA-N 425.913 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccccc1)C2 1782210750 GWUSIMRZOOYNPU-RZFNWQHOSA-N 446.548 0.607 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1O)C2 1782213347 LVTRGVXWVOCHOK-AUSIDOKSSA-N 446.548 0.822 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1783880087 BIVMAIVKOINQFQ-AUSJPIAWSA-N 438.912 0.284 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784084500 VRGITTQEEJYUAO-LXFSFDBISA-N 433.933 0.479 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784462025 FLSWEDDUVMXWDT-XUUSCSPLSA-N 435.289 0.308 50 20 ICGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)nc2s1 1784849270 PASDDQQDZHGNHX-MXAVVETBSA-N 441.941 0.221 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1F 1785049721 ZKPORFNNJVGTFM-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983502 QRENONBCVOOYEJ-SZMVWBNQSA-N 434.367 0.349 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cc3)[C@H]2C1 1789596299 LNDHHFOJFQOYGE-JVPBZIDWSA-N 439.472 0.298 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)n1 1791057791 PLXQNJJRZJRRDQ-YXWQFLTLSA-N 443.342 0.906 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)nn1 1792872508 LETVWEMYQXRHLJ-OHTBPHCPSA-N 427.299 0.719 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1793881145 SBFDWLKZEABEHQ-RNJOBUHISA-N 442.904 0.140 50 20 ICGD CC(C)c1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)no1 1794272743 KNMFETVGLLOKMF-BJWYYQGGSA-N 426.282 0.367 50 20 ICGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795732533 RDQMOFITPDBOIP-MXNKGDRCSA-N 436.317 0.763 50 20 ICGD N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1796074013 YSGORDGXYWKNIX-YRPNKDGESA-N 441.724 0.972 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1796333426 ZUMKYJDRFKIFMR-PLZKBRGSSA-N 445.944 0.595 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797656021 JHHDOLHEBDWRPR-SDNRWEOFSA-N 431.205 0.465 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2ccncc12 1799914905 OAJQOGDMMPIQFK-OPMZPASUSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC12CCCN1CCC2)c1ccc(B(O)O)cc1 1799998244 VVRVNFQDHZUNQV-ACDBMABISA-N 425.338 0.637 50 20 ICGD CNCCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807138002 VVPUXORNKCLSNR-OXQOHEQNSA-N 439.520 0.399 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361792 XSFTWIBWRNXSLU-DENIHFKCSA-N 436.321 0.177 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnccc1F 1807824043 CAUDMNGWRSBIJV-UWJYYQICSA-N 448.263 0.929 50 20 ICGD Cc1nnsc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966962 OEBMPMGJRHMBMP-UHFFFAOYSA-N 428.323 0.685 50 20 ICGD Cc1nc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)no1 1809974925 IAPNXSUDLLXCOX-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813271453 GZPCDUVVKGKDCS-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1815599868 VFNGMUYIDFJZSJ-ZANVPECISA-N 445.249 0.644 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n[nH]1 1819496518 GITPGTSZVJSKLB-GOSISDBHSA-N 436.281 0.670 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822697392 LWSBAOGFQZLREG-RDBSUJKOSA-N 444.001 0.945 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535064 HYMPYUPJYZKFAO-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719943 PEQSQAWJBRWZTH-YWZLYKJASA-N 442.896 0.130 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c1=O 1831888186 XKEFSGHNFKVQEZ-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)C(C)(C)C)CC2)CC1 1833287599 YOBVZRCTOWMBHR-FQEVSTJZSA-N 439.601 0.338 50 20 ICGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833476390 XYVFIDMTFHNIED-HNNXBMFYSA-N 435.974 0.064 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834322642 ZXAWEJAOOPZDFB-GUYCJALGSA-N 429.315 0.521 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1834822285 FJBWHQAXTCXQAY-INIZCTEOSA-N 432.340 0.927 50 20 ICGD O=C(Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835802118 FZAAUDQUVGKFFP-QGZVFWFLSA-N 437.928 0.191 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1837715917 RLCQJUMDCBBERI-FQEVSTJZSA-N 441.601 0.307 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968350 NYAKUGVXSVHVNE-OAHLLOKOSA-N 443.346 0.845 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc(Cl)n1 1838228305 NDYRKPHVRYAWDM-UGSOOPFHSA-N 448.303 0.413 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839200981 UGCQYHMAPGWZCY-WMLDXEAASA-N 446.273 0.851 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839202452 GCQKWFUCAKIRMQ-NLIDSEJHSA-N 435.290 0.701 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839962407 DBWZFHJITDHGNB-QAPCUYQASA-N 443.342 0.972 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840153352 LNLMOSCDDWTNAV-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(C)C)CCO2)C1 1840625462 LYSWIXDYVCYSAM-NYSIXDMNSA-N 445.520 0.789 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Br)C2)cn2[nH]cnc(=O)c12 1845218474 HIRXPUJKTQGWSE-LBPRGKRZSA-N 426.246 0.839 50 20 ICGD COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)c1 9889770 IKEFIPNPEXOOKL-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9931443 MUTBFGUGKDUIIO-CQSZACIVSA-N 437.499 0.683 50 20 ICGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 10159481 HMWRMBOZONYIJZ-UHFFFAOYSA-N 426.433 0.594 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 14318260 PEXJVYQPHWPUBH-UHFFFAOYSA-N 443.504 0.691 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)COc1ccc(F)cc1 14367830 JAVTYJIMNJMKJT-UHFFFAOYSA-N 433.440 0.213 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 17196041 NJMCPALQIDHVJT-NSHDSACASA-N 445.457 0.060 50 20 ICGD COCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 727162390 BKSXAYORFJKTOZ-CQSZACIVSA-N 429.495 0.137 50 20 ICGD O=C(NNC(=O)c1ccc(N2CCCC2)nn1)c1cccc(S(=O)(=O)N2CCCC2)c1 727847512 FXHNETLORYTRHY-UHFFFAOYSA-N 444.517 0.936 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1c(C)nc2cc(O)nn2c1C 729282303 QGQLAQOBSLXOFI-UHFFFAOYSA-N 445.505 0.657 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 729626947 HCQBSPOROOJUEI-IRXDYDNUSA-N 432.521 0.944 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)Nc2ccccc2)cc1 733653076 DNOMKNPNBBOBJJ-UHFFFAOYSA-N 447.517 0.975 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn(C)c3)CC2)c1 735445996 ODHODYZMZARGIK-UHFFFAOYSA-N 433.490 0.485 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 735460923 ANZJDPUJOULSGV-UHFFFAOYSA-N 449.942 0.727 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N[C@@H]1CCSC1 745899656 URUIFNMXGRDXBK-OAHLLOKOSA-N 442.563 0.476 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 747103668 XMKOQPCRPKCTBA-UHFFFAOYSA-N 438.469 0.679 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc(OC)c1OC 748012665 LXLMYHHLPMSOGK-OAQYLSRUSA-N 442.428 0.842 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C 755394949 XMWPXRZEZZQLKB-GFCCVEGCSA-N 449.555 0.116 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(-n2ccnn2)c1 756003278 MNUYETVRBQKYKD-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762475545 PGZJDHHQIRMBIF-UHFFFAOYSA-N 446.235 0.480 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763430466 HTWFDURGHMNYEM-ZDUSSCGKSA-N 426.429 0.768 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 763660904 KKECTMCBNOWPRC-UHFFFAOYSA-N 440.456 0.983 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763674962 RGNCGWCHSXWAQY-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c2ccccc2O1 763810023 XCMLLHSVUBKXIM-QGZVFWFLSA-N 426.429 0.061 50 20 ICGD C[C@H]1CN(Cc2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2)C[C@@H](C)O1 763821159 SXKGTEPYXPCFNJ-IYBDPMFKSA-N 425.489 0.882 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1 763862480 XPNHPLAGIVHJHA-LBPRGKRZSA-N 446.464 0.503 50 20 ICGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 763916999 NKPZMWQCFMTMNN-UHFFFAOYSA-N 433.432 0.993 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)cccc21 764288487 HTGGWQIFCARNAW-UHFFFAOYSA-N 446.485 0.433 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(Cn2cncn2)c1 764345863 KQWBRCBWQGVOQA-UHFFFAOYSA-N 430.428 0.912 50 20 ICGD CC[C@H](C)Oc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 764816524 JZMIQIATMUAZPY-ZDUSSCGKSA-N 442.476 0.770 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 765428636 JRNHIAKGGHBZJB-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD CN(C)c1ccc(Br)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 766323482 UZMJYGBQFHRWEH-UHFFFAOYSA-N 445.295 0.848 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cs1 766553959 RLBGPVREJSQSGN-UHFFFAOYSA-N 437.908 0.527 50 20 ICGD Cc1cccn2cc(CC(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)nc12 766636214 NCJOLVYMKYWXLL-UHFFFAOYSA-N 434.500 0.791 50 20 ICGD COc1cccc(COCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 766649850 KOWFNHXDJJZEQU-UHFFFAOYSA-N 440.500 0.817 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 768641262 QJNWPYOGHFZJGO-HNNXBMFYSA-N 426.476 0.272 50 20 ICGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605817 CLEBURGKRUOOLA-UHFFFAOYSA-N 432.867 0.209 50 20 ICGD O=C(COC(=O)CCCNC(=O)c1cccnc1)NNC(=O)[C@H]1COc2ccccc2O1 772371750 AJACCFWYCOPFAM-QGZVFWFLSA-N 442.428 0.122 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 773418377 TYYYBHAPLWAZQW-FKIZINRSSA-N 437.497 0.501 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1cccnn1 773912215 FLMNMZSMKYRZQB-GFCCVEGCSA-N 446.411 0.551 50 20 ICGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 777229074 GZTKVUJUUKZRCI-UHFFFAOYSA-N 447.517 0.313 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 779845033 DBPNNDLWBSWQQE-UHFFFAOYSA-N 449.283 0.024 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 781334010 YWVIBIMRRHSIFU-DOMZBBRYSA-N 435.433 0.526 50 20 ICGD Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1C 783427235 NLOPHPDHCOSJEF-IBGZPJMESA-N 430.490 0.497 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 785721190 ZNQSLFSRVFYPMR-QZTJIDSGSA-N 440.456 0.304 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 786082063 LUSXTJYBJWNAGQ-INIZCTEOSA-N 443.847 0.412 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 788974982 MBVSRPNZNOADEI-UHFFFAOYSA-N 430.490 0.958 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 792799286 YPDMAFXCBBHIMT-LIRRHRJNSA-N 435.502 0.421 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1 792801883 DDGOZNGYSZNPCF-QGZVFWFLSA-N 427.461 0.966 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@@H]1CCS(=O)(=O)C1 792855068 NYHYJEWFCDBUFT-NVXWUHKLSA-N 433.534 0.907 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1 793232601 ZHXOSQLIRKQDFV-UHFFFAOYSA-N 426.543 0.729 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)o1 799259065 MXQVAIQVLILIMQ-UHFFFAOYSA-N 443.460 0.876 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 801106617 WFWYJIZJEBIXHC-CYBMUJFWSA-N 429.458 0.320 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)c2C1 803839126 QWQZKDRWRMQRFW-HNNXBMFYSA-N 427.461 0.508 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)Cn1nc(C)cc1C 806735655 DQGGQBFRNYWLPX-UHFFFAOYSA-N 439.494 0.782 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 816877434 UBSPHYWPRWGGAC-ZCQLHAAUSA-N 445.443 0.933 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 913416552 KNNQDKVZXCEEJE-KRWDZBQOSA-N 433.442 0.155 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)c2ccccc2c1=O 915775348 BRQMXABBENNNIW-CQSZACIVSA-N 428.449 0.336 50 20 ICGD COc1ccc(OCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916214005 KKYXUZQZWUTBIJ-UHFFFAOYSA-N 436.490 0.969 50 20 ICGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 917522507 HMIWFUBNERGLHM-INIZCTEOSA-N 438.550 0.802 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C1=CC=CN2CCS(=O)(=O)N=C12 918341340 IRPRJJZTRJYNIY-UHFFFAOYSA-N 443.254 0.847 50 20 ICGD Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919890060 ZGOQOFQEOVOLSU-ZDUSSCGKSA-N 438.535 0.494 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1115937538 MBDIBJYKAIYJKU-UHFFFAOYSA-N 436.534 0.825 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 1261207791 RAZKGZGWUVEOBQ-UHFFFAOYSA-N 440.425 0.907 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1323309636 ACLXXPYUTYQNCA-GOSISDBHSA-N 434.562 0.561 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778008394 HSHMXEUATUVQQS-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)ccn3C)C2)C1 1780407993 LNAXDOPHPDVJDJ-OLCUMFGGSA-N 440.504 0.911 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1781211147 KCSRKORHXMDUQL-NJSLBKSFSA-N 433.933 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1782175022 AQXBSZZNCHYSPM-CJBNDPTMSA-N 429.861 0.699 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1782786444 DMTXXMJFMMLNKS-INIZCTEOSA-N 433.248 0.390 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1783877591 LASSBCUBLMAVKN-BFUOFWGJSA-N 426.901 0.622 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936982 BUTMHQVSDCEVRL-VGOFRKELSA-N 431.537 0.463 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1785982767 IYFALPGXZZAFAE-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152701 ZTZJYIDEPSTZCY-UHXUCMFUSA-N 444.941 0.449 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787443800 TYBYSDPQJWGTMZ-PEDHHIEDSA-N 437.896 0.386 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1791056107 NXERSWOLWYUSIZ-DHMWGJHJSA-N 439.310 0.783 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@@H]1c1ccccc1 1791203577 CTFLCCMQHBIONY-QZUCXDRTSA-N 448.328 0.763 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1791254999 YKKWOSVZJPVYLM-YXWQFLTLSA-N 426.901 0.513 50 20 ICGD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1792864450 ZEDHBGLZDCBEHU-ZDFLXESQSA-N 435.433 0.494 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1796441464 KBZHGBBMRJXRFQ-POKDIBPUSA-N 440.460 0.124 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1799083001 KBDIIWURIVOFNO-ZSBFGKGUSA-N 436.310 0.646 50 20 ICGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012579 QUDZXTAWKSOHSC-UPHUGPLXSA-N 432.521 0.662 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc[nH]c2C1 1802813668 MWQVSACMWNFJDJ-APIJFGDWSA-N 437.504 0.465 50 20 ICGD CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804078726 LQEPZMAMCZDYKZ-NQIIRXRSSA-N 439.321 0.896 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1805290064 XCXSYKHRAPVNHR-RXVVDRJESA-N 432.289 0.733 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807104238 FQYPFGORVKTEIA-LPHOPBHVSA-N 449.276 0.273 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807192759 CBQUNUMDYCNTKH-UMHPPVOVSA-N 444.363 0.917 50 20 ICGD Cc1oncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364167 PHNQPMWUNGLROS-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807369417 JADMWGTWPHPYET-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810434082 XPDWNAWVFCZXPB-LKUPVBHCSA-N 439.321 0.895 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812498262 JAHUSWCBFKCXSA-YYIAUSFCSA-N 443.953 0.918 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361129 YQIWOPZFUQBMHV-CQSZACIVSA-N 439.306 0.702 50 20 ICGD Cc1cc(NC(=O)CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)no1 1817235570 UESMZJFHHGWGEB-KOLCDFICSA-N 441.897 0.980 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404493 NUMWNQHKILFCPV-DZGCQCFKSA-N 449.899 0.968 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1831401980 KWFSYKKNEJOREV-RKVPGOIHSA-N 431.327 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSCC(=O)O)CC1 1831886338 KAHDWBQGTUYHQH-MRXNPFEDSA-N 442.582 0.797 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832680997 MNCLLNVJNTWDHD-KBXCAEBGSA-N 442.310 0.700 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnc(Cl)nc1 1833013108 IXIUHYSNMFLMJZ-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833614529 NYTUNIKHILMWOA-KRWDZBQOSA-N 438.956 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833635231 MEVZLEXVXGJOME-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD O=C(c1cccc(O)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834193692 XYUYCBJOEKCFKJ-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837482996 HUXSMWALUPJJLJ-ZRGWGRIASA-N 425.917 0.751 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cccc1=O 1837712467 SZSRSJASEXULQD-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1 1837920973 NSWJVTIQWLDPKS-SFHVURJKSA-N 444.337 0.405 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839151905 IBTYSAVLNYMWRC-QZTJIDSGSA-N 448.303 0.799 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198438 DHFSXEHPWDPCEQ-MLGOLLRUSA-N 438.294 0.048 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840030650 RJJZCEVSLYYOES-DNVCBOLYSA-N 446.386 0.958 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840032175 PPWZDMHRCRKAAL-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840032397 XTAVTTYPKJLDJP-KBXCAEBGSA-N 443.342 0.593 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1840036270 IKZYHLUGNMSXQX-VBQJREDUSA-N 429.315 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840463133 RYJSDKOPMNVSEA-PXNSSMCTSA-N 427.929 0.979 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc(C)c1O 1840674155 FCZXFPPBZGCPFT-OXJNMPFZSA-N 426.897 0.679 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1847089668 YQDBMEAQDQCQGA-JTQLQIEISA-N 437.324 0.762 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSC(=N)N 1848099338 JOOMWLFJLJALIN-SRVKXCTJSA-N 433.962 0.947 50 20 ICGD COc1ccc(-c2nc(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cs2)cc1OC 9930750 YUYHJWUMILDTCN-GFCCVEGCSA-N 439.515 0.952 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1F 31224724 SWYLTDUTLZHOOY-UHFFFAOYSA-N 435.433 0.908 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 110815188 RNEXUVOBGNMYDN-UHFFFAOYSA-N 445.563 0.837 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 725908400 UUFZZFKKHIIYTE-UHFFFAOYSA-N 431.879 0.466 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCOC(C)(C)C1 726262899 TZGJMYTXPJWUJF-UHFFFAOYSA-N 426.543 0.343 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc2c1=O 727799166 HOHJKJTYCIXWNI-LBPRGKRZSA-N 441.366 0.858 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 728530105 XWUTUKJJBYDNEP-QGZVFWFLSA-N 439.266 0.939 50 20 ICGD COc1ccnc(N2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)CC2)c1 729482511 KOHKRRRWFAQEIS-UHFFFAOYSA-N 429.477 0.691 50 20 ICGD O=C(COC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)NNC(=O)c1ccccc1 730617276 ASTBSSYRHURAAD-INIZCTEOSA-N 439.424 0.815 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 730782739 UNZYMABRXYLQQT-HNNXBMFYSA-N 449.485 0.690 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1Br 732174028 RAARHQZBAFFVNW-UHFFFAOYSA-N 439.266 0.987 50 20 ICGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733349857 JXUPBFBXQWMPGG-OAHLLOKOSA-N 425.493 0.511 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1[N+](=O)[O-] 734417919 DJLANDHCPZCCSV-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 734824613 FYSSRTIIDXOAJV-CQSZACIVSA-N 447.558 0.530 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741764399 IBQKDBJHDZJYQW-JTQLQIEISA-N 429.442 0.801 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742471167 PFWQVCFZBNXQLY-UHFFFAOYSA-N 435.458 0.184 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ncnc4[nH]cnc34)CC2)cc1 743468280 AVASYLXJRDFVOJ-UHFFFAOYSA-N 426.462 0.769 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCCN2C(=O)CNC2=O)cc1Cl 743601019 VCRRMBNGFNDZFG-UHFFFAOYSA-N 428.833 0.635 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 744576205 FSFQGJNJYVMQLO-UHFFFAOYSA-N 449.423 0.628 50 20 ICGD Cn1ncc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1-n1cccc1 744621715 ZPEWYRPXTQTDSR-UHFFFAOYSA-N 430.490 0.989 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 746121746 XXFOZSSZBZORQO-KBPBESRZSA-N 447.989 0.851 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3cn4ccccc4n3)C2=O)cc1 746549183 NYWAHAFMHBEYEN-QFIPXVFZSA-N 434.456 0.800 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc[nH]1 747663042 WAEMVAWEUOQVOC-UHFFFAOYSA-N 434.474 0.648 50 20 ICGD COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 747751252 JISZAVRWJANDGR-UHFFFAOYSA-N 434.478 0.079 50 20 ICGD Cn1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1=O 747941769 NZZBICDDZWQFRI-UHFFFAOYSA-N 427.433 0.603 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3(C)CCOCC3)nc2)CC1 753551966 QZKXZIWCFDDPPV-UHFFFAOYSA-N 426.543 0.461 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1[N+](=O)[O-] 759164008 MBFWPVZECQQFBD-UHFFFAOYSA-N 443.463 0.520 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 759739498 WMTSDODUWMYONN-QLFBSQMISA-N 438.506 0.421 50 20 ICGD COc1ccc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(Br)c1O 761015762 QPDAGRQZBHUPFZ-TWGQIWQCSA-N 435.234 0.933 50 20 ICGD O=C(NNC(=O)c1cnc2[nH]cnc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 763378203 CKBWTICPTAOVMH-UHFFFAOYSA-N 430.446 0.054 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 763572664 NJBYZVINQQKHLA-CYBMUJFWSA-N 440.334 0.949 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 763804279 RKLNSKLNPRGKLD-ZDUSSCGKSA-N 444.400 0.927 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cc21 763919079 PVTBJZUSPCPYJS-UHFFFAOYSA-N 443.435 0.624 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCCCC1 764213010 SBQFONCUIGKPKW-UHFFFAOYSA-N 439.538 0.207 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)cn1 764276360 CMOVFPGDAZIYTL-UHFFFAOYSA-N 425.218 0.844 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1-n1cnnn1 764351243 PXFZLFCDYMYHKB-UHFFFAOYSA-N 447.415 0.256 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2NC1=O 764402325 ZCSUGMGQTWLMJH-JTQLQIEISA-N 430.442 0.990 50 20 ICGD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425378 PAZMDSSLSAXAAV-QGZVFWFLSA-N 439.428 0.942 50 20 ICGD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764430609 WWDWJJWGUUTDTP-ZDUSSCGKSA-N 430.255 0.738 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1OC 765735950 NFXBQJGNQOODPX-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD CC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C1CCCC1 766653772 SZSXCPYIAOZEHU-FQEVSTJZSA-N 429.521 0.287 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 771964631 XUGMSFASBQLDIO-OAHLLOKOSA-N 430.461 0.184 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 773674008 RJNSYZBPMQJBEZ-UHFFFAOYSA-N 432.510 0.148 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2nnn(Cc3noc(C)n3)c2C)cc1 781900196 XZXDLSKYIQSDHX-GFCCVEGCSA-N 429.437 0.953 50 20 ICGD Cc1ccc(-c2ncccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 782701825 CMZNHIGDVJVGSJ-JTQLQIEISA-N 425.492 0.142 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCS(=O)(=O)C1 783426001 KZCADFRQJJQYCH-ZBSNKRKSSA-N 427.426 0.451 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NCc2ccccc2)cc1[C@]1(C)NC(=O)NC1=O 786732425 QRASOAXQIYXLRG-IBGZPJMESA-N 447.473 0.443 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1 792633240 YZLHFXUZWDAMEH-GOSISDBHSA-N 442.394 0.886 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCc2ccccc2)c1 793025676 NPFDIZFMQGOVQT-UHFFFAOYSA-N 439.472 0.353 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 795082081 VVCLTMJUNCKFOK-SCLBCKFNSA-N 426.495 0.120 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 810407424 FNAZALRMTAOTFY-UHFFFAOYSA-N 448.427 0.956 50 20 ICGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815691459 QTBASRYTWXSXIP-GFCCVEGCSA-N 448.867 0.845 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)c1 913153418 RCCYVKZCCXXNKV-UHFFFAOYSA-N 440.522 0.117 50 20 ICGD Cc1cccc([C@H](CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)NC(N)=O)c1 913660779 GYQRADZXDTXSHE-KRWDZBQOSA-N 447.517 0.806 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H](C)SC)N(S(C)(=O)=O)CC2 915292448 OONNWIQPFBQURG-SMDDNHRTSA-N 445.563 0.852 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)cc(C#N)n1C 919046353 OABQFRXDHMBWML-REZTVBANSA-N 435.440 0.836 50 20 ICGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)c1ccc(Cl)cc1 919555169 WMGCIZFOZPFECM-UHFFFAOYSA-N 431.898 0.850 50 20 ICGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)n1cccn1 919686889 ZYQBLUFPDWIFQI-SFHVURJKSA-N 441.536 0.262 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(CS(C)(=O)=O)CC1 1318984253 JSHOLHBHYHZYHQ-UHFFFAOYSA-N 431.540 0.057 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1CCOC1 1319048348 YIGDJTINVOVMOC-INIZCTEOSA-N 440.522 0.007 50 20 ICGD Cc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cnn1-c1ccc(O)nn1 1320127381 IAYMBNRLNQLKIR-UHFFFAOYSA-N 445.299 0.116 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 1321618482 JUMQFEKRBVOMOU-UHFFFAOYSA-N 437.474 0.391 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778488642 BLAMDMYOIJKSBJ-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618633 BXHLNKFXPJZDOP-JHXRPTDYSA-N 440.460 0.365 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc2c[nH]nc12 1783936041 BEYNFAJJTPLTCA-QFIPXVFZSA-N 442.520 0.688 50 20 ICGD Cn1ncc(Br)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090731 MGCGKIGTJOMMMJ-UKJIMTQDSA-N 449.733 0.376 50 20 ICGD O=C(CCc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784737833 PPZLVGVXIODWMW-HSZRJFAPSA-N 440.280 0.582 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786405830 DEKAIMQILHIZGW-DZKIICNBSA-N 443.342 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C=O)s3)[C@H]2C1 1786990236 VAOGSRBCKRWKPL-BPUTZDHNSA-N 436.534 0.527 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925765 JFPPTJMKNVOGIS-MJDBTJCESA-N 444.305 0.947 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791287393 PTABUFYOGKQLFB-ROTRXOLRSA-N 439.278 0.272 50 20 ICGD C/C(=C\c1cccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792461288 NKAKZYXPIRSXSV-QGSPRNKOSA-N 440.330 0.735 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl)[C@@H]1SC(=N)NC1=O 1792781902 GGOQITDUZZYCHP-LBELIVKGSA-N 430.958 0.643 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)[C@H](F)Cl 1796362576 GNHXSBUMIMPCTA-RMHZUWNSSA-N 432.901 0.974 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1F)C2 1797753147 VKDBKHSYVBFIIQ-KSPBDQMDSA-N 443.435 0.047 50 20 ICGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc(Cl)n1 1798978010 QGKPDJPOLYNNEE-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354511 SLMYWOQZZHOCGF-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1800617688 RYVHRGFPYDCAJO-IBHRTIHJSA-N 436.317 0.682 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc[nH]c2C1 1802813670 MWQVSACMWNFJDJ-XQLPTFJDSA-N 437.504 0.465 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807360935 DEHKLTLYKAOIOT-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1808661353 JGHMPYIGFSTCJJ-VHDGCEQUSA-N 441.305 0.618 50 20 ICGD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811245205 HWOHRWNHMMUESM-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD CN(C)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814548551 YEPLQCWTWJBXLI-NSHDSACASA-N 431.522 0.319 50 20 ICGD CC(C)CNC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826086006 KABFCXQMVXIJEX-LBPRGKRZSA-N 438.554 0.200 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052360 HFVLNAYBVCMESL-NRFANRHFSA-N 437.305 0.547 50 20 ICGD CC[C@H](NC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926997 WYQPJVHREKKEIS-RBUKOAKNSA-N 430.553 0.916 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829855781 KGAGCRIZQPQOCM-APWZRJJASA-N 429.590 0.209 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1830361691 AJMZUWPXKHYVDC-LJQANCHMSA-N 436.900 0.459 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832877922 NUGQOCPFIABNEO-QRWLVFNGSA-N 440.928 0.608 50 20 ICGD COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833527259 HICKGIGEAPHFAZ-HNNXBMFYSA-N 446.552 0.153 50 20 ICGD COCCC(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1834561823 RVHKIUOZPZGDAX-PCLIKHOPSA-N 446.552 0.729 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835483777 NRZPEFVXCYWOBN-LJQANCHMSA-N 444.020 0.059 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2ncccn2n1 1835540386 YUHQYHWJLYVYTL-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717992 OCMBVNUGWVXBFK-OAHLLOKOSA-N 427.885 0.705 50 20 ICGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)ccc2N1 1836787503 PPJIWBRVCATFPP-APWZRJJASA-N 425.844 0.786 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838975734 OJWKVOFGSGCBKJ-QRWLVFNGSA-N 442.896 0.725 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838983133 JTSUWSAWRGYRQB-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153424 HTTLWLMNWDLKNN-JLSDUUJJSA-N 448.351 0.607 50 20 ICGD O=C(c1cnccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199631 REDXHBKYYZMKIW-BBRMVZONSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881040 JRZXVHYKGBDRIY-RVSPLBMKSA-N 434.331 0.141 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840031318 MEQYCWOYDGKBDV-KDOFPFPSSA-N 442.310 0.700 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271873 SECWOPJABKUCAS-YRBFXIGRSA-N 433.343 0.777 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842275432 WUWLGAYFKAZIMO-UHFFFAOYSA-N 446.414 0.812 50 20 ICGD O=C([C@@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010539 ZMIYFNGDLXHRPB-NHCUHLMSSA-N 434.301 0.479 50 20 ICGD COc1nccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1843113947 HJYXQKSXTKGPSW-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD COc1ccc(COCC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1846453505 BKAITGVFNGGQMQ-UHFFFAOYSA-N 432.521 0.788 50 20 ICGD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CN1Cc1cccs1 1847556737 PWZFOLVCQKJTBN-OEAJRASXSA-N 425.938 0.898 50 20 ICGD O=C(c1ccc2nc(Br)nn2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558712 DGHJRCNLEUIXQZ-SDDRHHMPSA-N 442.701 0.907 50 20 ICGD O=C(C[C@H]1OCCc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847756656 NKXXFQBUAMWOJH-FDFHNCONSA-N 434.301 0.886 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 9889339 VFYTZALYTAXGQI-UHFFFAOYSA-N 428.898 0.167 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1 15406989 PROREUYXVSWYGM-UHFFFAOYSA-N 438.531 0.524 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 26539441 OKXXWTUDJAYTDE-UHFFFAOYSA-N 425.470 0.489 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1O 726766825 NMDKQXDWCITKMA-UHFFFAOYSA-N 441.487 0.564 50 20 ICGD CC[C@@H](C)N(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 727230457 WUTRPIGOEAEAKW-OAHLLOKOSA-N 427.575 0.374 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 733150175 JVMNDQNUGMYDKM-ROUUACIJSA-N 443.552 0.173 50 20 ICGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2)CC1 734284496 XCKOQYJIPGZGHR-AWEZNQCLSA-N 427.509 0.046 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 737637011 KHTFASFCARUWKZ-UHFFFAOYSA-N 433.486 0.685 50 20 ICGD CCc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1S(=O)(=O)N1CCOCC1 740114307 TUOIRKYQPYKANT-UHFFFAOYSA-N 434.522 0.883 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 755775594 CDEPHFPJJXRUFJ-VIFPVBQESA-N 437.450 0.227 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2C#N)CC1 755901901 ZDCSOOMBXPISLX-UHFFFAOYSA-N 437.522 0.860 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 757998372 WRDXVNSLQXFLFR-SECBINFHSA-N 434.400 0.982 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)COc1ccccc1-c1ccccc1 759551733 YXZQXSDGMGMDQL-UHFFFAOYSA-N 449.533 0.895 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccn1 762685001 JEVMAFMUYUDCRC-UHFFFAOYSA-N 435.506 0.570 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cccc21 763469828 CCRCNHPJASVRAV-UHFFFAOYSA-N 447.429 0.317 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763573584 TURHABJXFSQUQI-MRXNPFEDSA-N 428.401 0.815 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)nc3ccccc23)c2ccccc2O1 763613619 AYHUIYLDFDMWKM-IBGZPJMESA-N 447.451 0.844 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1cccc(C)c1 763624113 JCPCYAIPBHEKQB-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763775903 YACBQSGYTYTUDY-UHFFFAOYSA-N 430.417 0.960 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2c1=O 763785006 AGGRZUOUWWUTOU-UHFFFAOYSA-N 443.803 0.715 50 20 ICGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763803330 LLJFRECZRUEVMM-UHFFFAOYSA-N 445.388 0.962 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)n1 763881293 NBHSOBDRIPQDFR-UHFFFAOYSA-N 442.476 0.067 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)cc1Br 764326005 CZBUHYPVPQQTJQ-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3ncnc4ccsc34)CC2)cn1 765797735 GDIPULQTLJCJAU-UHFFFAOYSA-N 436.523 0.904 50 20 ICGD O=C1CCC(=O)N(c2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)N1 772898862 UBNAQNLGUFAMCP-UHFFFAOYSA-N 443.847 0.575 50 20 ICGD CCc1cnccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 779409227 INUSUABDPUXUEK-UHFFFAOYSA-N 447.517 0.809 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)sc2c1CCCCC2 783427051 PIKVOVVVCPUYFF-SFHVURJKSA-N 443.547 0.940 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 784003423 WREXPWCIBNZGDK-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 784917833 ZDJGLGOWICJTDD-UHFFFAOYSA-N 438.510 0.568 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789312963 ZUEGWDYNOWCITH-SFHVURJKSA-N 443.479 0.811 50 20 ICGD COCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 792855652 APRFKYRKHMGTBT-ZDUSSCGKSA-N 433.527 0.232 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCCC1 793392607 OWXPFANZNLOBCH-UHFFFAOYSA-N 439.538 0.767 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@]2(CCCOC2)O1 796502924 GOGKABBBRRXHBV-ACJLOTCBSA-N 425.511 0.604 50 20 ICGD N#CCNC(=O)CNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 807552099 MXINESYHEIFHAX-UHFFFAOYSA-N 433.428 0.029 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033765 KKVWNLPUCXMIMU-UHFFFAOYSA-N 449.533 0.959 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nc(N2CCCC2)n1 813856766 LUNUVTZQDXENTB-UHFFFAOYSA-N 439.524 0.922 50 20 ICGD Cc1c(C(=O)NNC(=S)NCCc2cccs2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 819427741 RWCMUIBYKJJYPE-UHFFFAOYSA-N 443.532 0.964 50 20 ICGD O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccccc1Cl 914527660 QXJQZWLKQSHWGJ-UHFFFAOYSA-N 438.893 0.747 50 20 ICGD COc1cc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1OCC(N)=O 916640517 GCJQSOSJPVIVBZ-UHFFFAOYSA-N 440.460 0.519 50 20 ICGD O=C(NNC(=O)c1ccc2nc(O)oc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 919807340 DXSIYGVHGCYPCI-UHFFFAOYSA-N 446.441 0.629 50 20 ICGD COc1ccnc(NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 919813594 GGKQYZNTSOUPKU-GFCCVEGCSA-N 436.450 0.937 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 1322962127 MNWMTRYEHAFWNF-CYBMUJFWSA-N 432.543 0.789 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778236927 SSXICDIUVHHEBE-MDOVXXIYSA-N 445.944 0.673 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028407 DNNLKURWNXHUKW-QFIPXVFZSA-N 438.488 0.075 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1NC(C)=O 1780208683 DZPKLBGHWSQPAZ-OXJNMPFZSA-N 439.896 0.697 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780815388 CLYZQVGKGSOZEQ-NRFANRHFSA-N 445.426 0.721 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1782867754 ZQEUGCFMIPFRRM-ZVYZCIRASA-N 432.427 0.967 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1783350076 ZTYCKALYRASCBD-GRDNDAEWSA-N 428.331 0.918 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783712569 SPJSPBNRELBNIC-TYILLQQXSA-N 433.933 0.983 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1783933202 RPEUQXCTXADEFY-NRFANRHFSA-N 436.484 0.651 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975164 DSJYBUANPUTEQF-HZMBPMFUSA-N 444.248 0.526 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)cc2N1 1784092844 WSINGLOVGUGPSY-LAQRGFTBSA-N 435.908 0.764 50 20 ICGD Cc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979872 NFXLTHJSHRINNG-IEZWGBDMSA-N 428.319 0.643 50 20 ICGD O=C(Cc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787061221 CAVAHKFLRWKXEW-SNRMKQJTSA-N 428.319 0.264 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21 1788611491 FIXULIDRJQMGGX-IXDGSTSKSA-N 439.472 0.298 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1789925773 JNSDEZWTPNZULJ-NMCQGECBSA-N 432.334 0.997 50 20 ICGD Cc1cccc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790150713 PBQSHTGRYOJZDK-JBACZVJFSA-N 436.317 0.890 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)[C@H]2C1 1791239478 WGDMPTCKDBJMJI-IZPLOLCNSA-N 442.940 0.975 50 20 ICGD Cc1ccccc1NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289094 JUVIKOUBEQMAHL-BJLQDIEVSA-N 445.564 0.760 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nn[nH]c1C(F)(F)F 1796191980 XHXSNDITQMDYLB-CLLJXQQHSA-N 437.187 0.069 50 20 ICGD CC(C)c1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)no1 1798440686 KLQSDEASZKARCW-BTTYYORXSA-N 441.492 0.686 50 20 ICGD Cc1nnc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)s1 1798440804 UDUAULOLEUZTQE-BTTYYORXSA-N 443.533 0.730 50 20 ICGD C/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800465553 JYWFNBGMXVQRBF-RHUZEMGXSA-N 443.548 0.888 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800758352 UJICIGLEFVZJHS-KQXIARHKSA-N 425.283 0.167 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803002696 XXEUFXJXZQMWLS-WBAXXEDZSA-N 426.477 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806106900 LXFNRWZEFQMNGB-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807074655 XBDVJOGITMJXGA-HGWQEYRNSA-N 438.337 0.454 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807330311 WIRWXLRIKJJHDG-PGRDOPGGSA-N 432.569 0.849 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362863 KEPQHTDDDUPDOH-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364790 GBWGIKZRGZQBOK-WDSOQIARSA-N 445.712 0.335 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368738 XWSARBAVFPOPAT-ZBFHGGJFSA-N 436.104 0.885 50 20 ICGD Cn1cccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369540 NEABMGGAAAIFFX-RXVVDRJESA-N 432.289 0.733 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370556 GSYKILDBRRAZHF-DYESRHJHSA-N 447.256 0.348 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3ccc(CO)o3)CC2)C1 1809977700 NVNWFGWIKXYCBG-UHFFFAOYSA-N 426.278 0.610 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072292 ABJSWXNHIXBROC-ZDMQEGKZSA-N 444.536 0.500 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873235 TYQPWVCFVXKGGI-BPUTZDHNSA-N 426.949 0.637 50 20 ICGD CC(C)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354529 GWZYSVBHEXDICK-HNNXBMFYSA-N 430.339 0.437 50 20 ICGD O=C(Cc1cc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359988 HWNQAJOQLLOBSS-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1csnn1 1815362834 KGEJHMYHUFCGAH-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665398 KDAXOEGJXOPRPV-QPDIMOPTSA-N 442.457 0.277 50 20 ICGD Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cnn1C 1827056178 PUMWTFRDUMRKFB-NRFANRHFSA-N 438.337 0.955 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725020 CPDXKXXOWHYDIV-KNQAVFIVSA-N 436.936 0.774 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1831654956 ZHGMCEAPUWHPJA-DNVCBOLYSA-N 426.901 0.107 50 20 ICGD O=C1NCc2cc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)ccc21 1833309831 ALWUTCUUSXPFIE-LJQANCHMSA-N 448.951 0.715 50 20 ICGD Cc1nocc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834247606 GQAIHRPAYKZNSD-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Br)CC2)CC1)C(=O)O 1834739447 APFYKOZFQXQLLU-WFASDCNBSA-N 447.374 0.404 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801105 MLNMCCFCTLGMCW-KRWDZBQOSA-N 445.369 0.365 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849910 NTSDDPWXNXQZDW-BZNIZROVSA-N 431.287 0.216 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850841 DXHGCXZDWSYWDD-KXBFYZLASA-N 437.884 0.053 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836896404 RSKPWNJTYYVXES-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD CC(C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837044077 KBUVXYADXVADPS-UHFFFAOYSA-N 446.353 0.794 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839127681 UTKQQLSBKCCBSC-KSFYIVLOSA-N 443.504 0.111 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198162 WAJHPHXANYFHQF-CZUORRHYSA-N 431.262 0.546 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839276677 URMQCFRAHOEXGQ-QAPCUYQASA-N 445.831 0.404 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839645739 QSCWJSKAGXQRAV-KYZJQNDMSA-N 446.342 0.514 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839962890 UQYOPHHTBKSVJU-RLFYNMQTSA-N 432.359 0.711 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049197 PBEQKPQMMNRKNK-ZXFNITATSA-N 431.327 0.795 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840152919 YQSPWDKWGSLWDM-KUHUBIRLSA-N 438.868 0.547 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840156188 JTUGPTDOWIZGPI-LPHOPBHVSA-N 427.885 0.040 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1)NC(=O)NCc1ccccc1 1841352564 XGHHBBHGXUVNDG-INIZCTEOSA-N 437.928 0.136 50 20 ICGD O=C(COC(=O)c1cn(Cc2ccccc2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 728322376 RUTODPBCUDWFRU-SFHVURJKSA-N 437.412 0.471 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@H]1CCCO1 728378149 CUKKOPIHJAKHOM-INWOSJFWSA-N 434.518 0.773 50 20 ICGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729344059 QQNUZEMXHGDEPF-UHFFFAOYSA-N 437.316 0.680 50 20 ICGD COc1ccc(Br)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730569068 LUVIWPAUKCXTFA-UHFFFAOYSA-N 442.295 0.493 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(F)c(Br)c2)c(=O)n(C)c1=O 730570327 HWDIMFABRBVBMU-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD COC(=O)c1ccc(OCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 731218720 GAURGYXOCARNIJ-UHFFFAOYSA-N 425.405 0.472 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1Br 732174216 ZYHPNYLZAPUVDX-UHFFFAOYSA-N 448.233 0.880 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732474081 GGAKRJDKVLFJJK-MRXNPFEDSA-N 442.538 0.501 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 740943747 SGJYHAAJRFHFPG-OAHLLOKOSA-N 440.522 0.210 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 741740685 FFRFJWJNTNCUJD-IUODEOHRSA-N 431.424 0.931 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c2ccccc2c1=O 742034774 VQEAURUINAJMKY-OAHLLOKOSA-N 434.456 0.642 50 20 ICGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 744314670 ARGFGAHDQFZCGI-SFHVURJKSA-N 437.412 0.832 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744517813 YRCJRUOXOPVMHG-CYBMUJFWSA-N 434.408 0.856 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 748461189 JOPCTEYKHCFJJW-UHFFFAOYSA-N 437.522 0.040 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(CS(=O)(=O)C(F)F)cc1 751567025 NOYHABQHDRMVAE-UHFFFAOYSA-N 436.400 0.875 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N(C)C 753034019 JKQUMYZXDADBEC-CQSZACIVSA-N 447.517 0.586 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c1C 753840187 HPDVNAJGZDQAHJ-UHFFFAOYSA-N 438.238 0.975 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1nnnc1C(C)(C)C 754986715 RPFPBSFQMRDTGA-RISCZKNCSA-N 432.437 0.062 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1cnn(CC(=O)N2CCOCC2)c1 756831326 NTRQXEFINNZJHY-UHFFFAOYSA-N 438.391 0.810 50 20 ICGD CCN1CCN(Cc2ccc(CNC(=O)NNC(=O)C(=O)Nc3ccccn3)cc2)CC1 758688012 WBRDDKKWLWVXFE-UHFFFAOYSA-N 439.520 0.688 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@](C)(O)CN1C(=O)C(C)(C)c2ccccc21 760490908 QYOKSAUWDGYYKL-OAQYLSRUSA-N 434.493 0.734 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)OC)c2ccccc2c1=O 763785009 AHQNHWAPGGFJQG-UHFFFAOYSA-N 437.412 0.603 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)cc1 763859692 FDDKJOTVPNTWOM-CYBMUJFWSA-N 428.445 0.998 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 764203084 JJWCZUKYFLCVKP-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)NCCc1cccs1 765120369 GVVNPJLJLPTCIW-UHFFFAOYSA-N 431.522 0.540 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)NC2CCC(C)CC2)CC1 766872945 IHYGNNXGCQHCKG-UHFFFAOYSA-N 443.592 0.997 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OC(F)F 767249803 WGFMLUQJBBODKN-UHFFFAOYSA-N 436.419 0.241 50 20 ICGD N#Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851828 VRJDHJSBFFRYER-UHFFFAOYSA-N 426.289 0.686 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 768637118 DDPVFNGSTVTTCO-JTQLQIEISA-N 433.533 0.970 50 20 ICGD CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 769568872 CYAMMYBOKKIHDB-JTQLQIEISA-N 428.515 0.367 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)nc21 770343281 ZVSKNWHHIKQNRP-UHFFFAOYSA-N 439.480 0.798 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCN(C)C3=O)c2)cc1 771846160 PDMUYVBCJGKXHD-QGZVFWFLSA-N 446.485 0.735 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771884114 XQTZPANPBGTQER-CQSZACIVSA-N 441.506 0.446 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)NNC(=O)CC 771914746 PQUJMLWJHAGHGC-OCCSQVGLSA-N 438.506 0.773 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 772035451 GHHVRDWOPCPLNB-GFCCVEGCSA-N 439.490 0.978 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 772097633 PJYMOVYDSOPANN-HIFRSBDPSA-N 433.461 0.936 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 774001004 CGTKPSAQQGLJOB-LLVKDONJSA-N 448.867 0.369 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 778442030 PQMSKMBYGWMWKV-AWEZNQCLSA-N 444.448 0.435 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 781780598 IHCQKAVJIOQPPI-GWCFXTLKSA-N 429.271 0.404 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1F 783326340 CKQXLAXONUHUJQ-NSHDSACASA-N 446.439 0.996 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCS(=O)(=O)C1 783425769 DEZYMIBYKZRHHE-HXUWFJFHSA-N 432.502 0.840 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)CCS(=O)(=O)C1 783425803 DLRQUDUQUFKEPC-OAHLLOKOSA-N 446.411 0.423 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 784003476 GVTQAMZNLIQYCT-AWEZNQCLSA-N 432.458 0.432 50 20 ICGD CNS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 784078839 ZIKGWPTVRRFLKE-LJQANCHMSA-N 445.545 0.493 50 20 ICGD COc1ccc2nc(NNC(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)c(C)cc2c1 785162448 FJXROANCFIZKNU-UHFFFAOYSA-N 425.449 0.918 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cn1 790895051 NLUMTLFDQAXWIU-HXUWFJFHSA-N 425.449 0.789 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792387946 JVEDZNKXTPQCFP-LBPRGKRZSA-N 439.432 0.493 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 792775588 CITFWJZWVDJLPJ-UHFFFAOYSA-N 433.490 0.555 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 797653773 LDSOLORUVPVFIW-UHFFFAOYSA-N 437.478 0.962 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cc[nH]n1 798308049 NPYCRNAPVGFXIV-UHFFFAOYSA-N 430.421 0.096 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 802565607 BQFLGRSXDPHTNR-AWEZNQCLSA-N 435.339 0.677 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(OC)n3)cn2)CC1 815558878 QUAGRTMSDJOABN-UHFFFAOYSA-N 429.437 0.455 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 913531852 YUBIGAIGGHSRSD-UHFFFAOYSA-N 435.458 0.646 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C 915883579 AUQQLGCBGUXZAH-UHFFFAOYSA-N 433.490 0.462 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CCCCN1S(C)(=O)=O 919246396 DTAWRHIWGWRPRU-CYBMUJFWSA-N 447.897 0.467 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)N[C@@H]1CCS(=O)(=O)C1 919888946 IIKDZFSSNITEPD-LLVKDONJSA-N 442.295 0.970 50 20 ICGD Cc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cnn1-c1ccncc1 1341295265 RGJFAQUMYIDTDR-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1778119908 PTPHYOPGLNQDLN-PBFPGSCMSA-N 436.322 0.963 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1780098110 CCJKGTWQHAOUFD-HXUWFJFHSA-N 448.432 0.229 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1781899680 CLJNUXOOKGABFN-HNSFDTNUSA-N 430.343 0.952 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783349154 HZWQKVVMLOWZNH-OZVIIMIRSA-N 436.303 0.054 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1783934298 DGJAJBZPGIFBAO-LJQANCHMSA-N 434.522 0.212 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C[C@@H]21)[C@@H](O)CCl 1784084440 RIJKNXSAKILLSM-VAASLMRASA-N 427.841 0.780 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785573181 VZROCHJLPGPDBY-MDOVXXIYSA-N 443.928 0.333 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1788764848 OCMMGVQPFITCPY-BPUTZDHNSA-N 447.568 0.880 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(C)n1 1789110833 VMVVUZMPSDDTPW-WDSOQIARSA-N 431.537 0.665 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789376025 ITYPKFCHEKIBFQ-UHXUCMFUSA-N 430.299 0.791 50 20 ICGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1OC 1789409738 ZANJHVYQYUYCPM-ABHRYQDASA-N 427.885 0.292 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1789863393 QNWBPLPYJYCNAH-JGFGOLAASA-N 437.928 0.592 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cc(F)ccn3)C[C@@H]21 1791287934 FBKUIRGFJKNITH-SNRMKQJTSA-N 449.527 0.506 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)c3ccco3)C[C@@H]21 1791293718 DMMVZIHNOVXFBN-KKUMJFAQSA-N 442.463 0.724 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(Br)n1)C2)[C@H](O)CCl 1792978063 BIRNRZGIKSOFOP-JZSSXWJLSA-N 438.731 0.709 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)[S@@](=O)c1ccccc1 1792984325 XDMRMTPUEAWBLS-ALYRERSDSA-N 428.938 0.372 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2)c1cccc(B(O)O)c1 1795734441 RFMVQOGJDVJIOZ-REPLKXPHSA-N 436.273 0.590 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2)c1cccc(B(O)O)c1 1795738699 ARZCGTCXCABJIX-RMFSNUHRSA-N 433.273 0.365 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2)c1cccc(B(O)O)c1 1795741401 ZINNDDDZGIPSHY-POXQLVPFSA-N 434.248 0.315 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)no1 1796415740 LVZQPPBLRWLISE-DPIQGUFMSA-N 443.298 0.686 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2 1798476907 QIVGGRAXICYUGN-SWMGHYKJSA-N 433.299 0.903 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)nc1 1799094328 ATBXEXJXBYDCRO-IVSAIRAKSA-N 425.913 0.737 50 20 ICGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1800836559 LKVUSLPKUKSQAD-ALXJQNPVSA-N 434.961 0.911 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1)NC(=O)NCc1ccccc1 1801641193 UPQOVPBMJMBKDU-OPVJXMOQSA-N 429.521 0.332 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807364088 RZFYFYJVIZPCSM-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1810539270 ADIZTZSYCCJHDJ-FCEWJHQRSA-N 435.601 0.532 50 20 ICGD CC(C)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820005462 TZIDXVQIBSKZEY-DOMZBBRYSA-N 431.323 0.862 50 20 ICGD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)cn2[nH]cnc(=O)c12 1820116608 PODUNIRFOXSUTD-ZIAGYGMSSA-N 447.883 0.960 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cncn1 1822763188 NTXILKIKDVZXIB-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823001760 LMRHPEFKWACYNK-YCRQMBEESA-N 448.274 0.344 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826085221 KHLLBEBDXQBVMX-NSHDSACASA-N 448.505 0.548 50 20 ICGD Cc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826085779 CNVXHHCGEAVDQS-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD C/C(=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827059767 IPJBYUHRICMDJK-ZDRDQBANSA-N 428.294 0.631 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1827060154 QAGRYDIMUNZPRJ-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829771270 OXIDNMDVNUBISV-DYJXEPLRSA-N 444.326 0.085 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725563 PURZCYSFXHPHAB-RDTXWAMCSA-N 449.838 0.353 50 20 ICGD N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830731232 IFXTWBQJZCSZRA-DNVCBOLYSA-N 442.299 0.881 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731633 LOABQOYWKJTXPT-YLJYHZDGSA-N 442.944 0.696 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc4ncccn34)CC2)CC1)[C@@H](O)CCl 1833310607 UHLSEGFIWCLGPW-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710046 MHCQEPRBKFNCHY-UHFFFAOYSA-N 441.960 0.375 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835668807 KWCRSMFSMHJPIU-JEWRLFTDSA-N 426.989 0.498 50 20 ICGD CCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460316 BERPIMPHNCSZBF-NRFANRHFSA-N 433.509 0.191 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921754 XVTXBZNGIFSGBE-INIZCTEOSA-N 444.337 0.594 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1OC 1838930494 XPLXFVQCKWJYEQ-MGPUTAFESA-N 442.896 0.374 50 20 ICGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200766 MOTLOCJEBDXZEM-BBRMVZONSA-N 436.253 0.925 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839618701 TVOSXESSFAJNSA-KXBFYZLASA-N 440.859 0.143 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1840144643 GYVJKOLOIYLRIY-QCBUCWTNSA-N 446.928 0.022 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840155329 YADGQCZYDLNOAJ-XLIONFOSSA-N 436.896 0.658 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840639140 CCURQGXNKODIGF-BEFAXECRSA-N 430.860 0.504 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350871 DGDZROKGKQXQDQ-KBPBESRZSA-N 431.917 0.425 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015057 CXUKNNHJCWIMGT-HNNXBMFYSA-N 425.319 0.759 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847420634 FSBNJMMCBHFJNE-JQFCIGGWSA-N 431.298 0.095 50 20 ICGD Cc1c(Cl)cccc1NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 18945204 YWYKGICABLNCLZ-UHFFFAOYSA-N 428.927 0.551 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)N1CCCC1 725713664 SWOGDXNUNZVKGW-UHFFFAOYSA-N 432.174 0.583 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3nc(-c4ccncc4)no3)cnc21 728072188 ZBIPCRBZMYLMEU-UHFFFAOYSA-N 446.225 0.481 50 20 ICGD CC(C)[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCCC1=O 728214175 KGJCVZDWYHRISJ-IBGZPJMESA-N 437.566 0.713 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728335397 PWELVRMUDIWWFL-AWEZNQCLSA-N 437.449 0.820 50 20 ICGD CCOc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCc1cccnc1 729276659 JZNBNZPAEHKYSO-CYBMUJFWSA-N 436.490 0.758 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2O)C1=O 730780359 VOYYDLXNMDGDKZ-HXUWFJFHSA-N 430.392 0.525 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C1 731848431 JRWCBUWNEHKKCE-IXDOHACOSA-N 440.589 0.157 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSCc2ccccn2)CC1 735116822 HNRLGPPIPPYSKS-UHFFFAOYSA-N 436.563 0.789 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1OC 741839257 UNKSYXVJSGHDSC-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(CCC(N)=O)n1C 746242006 KSOXVBCJJLCCTO-UHFFFAOYSA-N 426.886 0.448 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)n2nnnc2C)c1 746549444 PXLXYPIQEQGPAP-GOSISDBHSA-N 434.460 0.812 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C2=O 746949477 LIOWGRVAOZTEDS-LPMFXHHGSA-N 428.555 0.616 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 748614740 MENUNVXCYBRUHC-AWEZNQCLSA-N 428.511 0.353 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 749220953 PBQILKAQLIIMRZ-UHFFFAOYSA-N 441.488 0.753 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 749222483 YMAPHALXDASEPI-UHFFFAOYSA-N 441.488 0.997 50 20 ICGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)COc2ccccc2O)CC1 751112502 WZCNWUFXIMCWAY-UHFFFAOYSA-N 435.525 0.728 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758511646 DBJRHPRTBAMGPJ-AWEZNQCLSA-N 426.377 0.606 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)n1 760279163 JJVOVPJSDIDMSA-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 760576842 MRZIISNQDCKTLY-KRWDZBQOSA-N 438.937 0.986 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 763532369 XNHVKHXZCTZLPO-UHFFFAOYSA-N 440.460 0.893 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 763660479 AKTODDMZAPGRFH-UHFFFAOYSA-N 441.444 0.385 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 763775504 UGULNKWUSCNWCX-UHFFFAOYSA-N 443.460 0.644 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 763878943 UWRDCDZFNAZKKW-AWEZNQCLSA-N 430.465 0.201 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)cn(C)c1=O 764084915 JYJOBEJLXSKTPD-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764233427 WPKABCZKRBHILT-SECBINFHSA-N 449.327 0.596 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)ccc1C 764297154 MIGSFWVSGDAYNT-UHFFFAOYSA-N 436.494 0.077 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c2)cc1 764344375 BQKCDBDDBXCORS-UHFFFAOYSA-N 441.469 0.620 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 764369457 FTYQRSPZYVUVDL-UHFFFAOYSA-N 425.348 0.355 50 20 ICGD CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c2)n1 764399215 JUZCNERQHQRNSF-LBPRGKRZSA-N 431.449 0.549 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 764422273 XDWIGKLFYRRKGT-UHFFFAOYSA-N 449.261 0.457 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 765484273 BTCADEDFXAKPGK-AWEZNQCLSA-N 442.494 0.879 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 766639621 BBOVALHZCCFWIE-UHFFFAOYSA-N 429.481 0.524 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 772188692 RSLGDZDXLNBUHP-UHFFFAOYSA-N 443.847 0.469 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NNc3cccc(C#N)c3)cc2)CC1 773688827 IFKNOOXBDWCVCG-UHFFFAOYSA-N 449.515 0.850 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 778438316 OURBAGFTKMZEII-IBGZPJMESA-N 437.428 0.265 50 20 ICGD O=C(COC(=O)c1cnc(C(F)(F)F)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 778446245 ZZQJWGCYNXBCIU-LBPRGKRZSA-N 426.307 0.640 50 20 ICGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@@H](C(=O)OC)C1 780350915 NZIJPRZLWCSNMG-SMDDNHRTSA-N 441.868 0.536 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc(C3CCC3)cs2)n(C)c1=O 799446824 CUYCSFBVRSFJCR-UHFFFAOYSA-N 432.466 0.011 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976363 BJNLBBMPLPXNEY-GJZGRUSLSA-N 442.497 0.474 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 815691449 QIJFBBRHCURTAY-MRVPVSSYSA-N 428.783 0.881 50 20 ICGD Cn1c(CCC(=O)N2CC[C@@H](B(O)O)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 864234570 SVYPNCAPIGSMTC-OAHLLOKOSA-N 448.354 0.756 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 912860868 GTKOWNHEUSEJIG-JTQLQIEISA-N 431.392 0.997 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(O)c1 917753223 DACKAFFDHPCBAN-UHFFFAOYSA-N 425.488 0.765 50 20 ICGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 919923162 ADFYTBMHTULIKS-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212668 SZDNZMRAWOYWIM-GJZGRUSLSA-N 443.501 0.167 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(CN2C(=O)CNC2=O)cc1 920932954 XEYZJHUASSLDFR-INIZCTEOSA-N 425.401 0.731 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1320640103 KOQNOJNOKKXMJQ-SJCJKPOMSA-N 429.520 0.551 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210539 HFNYJOBTUOJHSF-CGJGEUGISA-N 439.896 0.536 50 20 ICGD CO/C=C(\C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779235004 AKXZKVFMWADHNA-WHQZHXTLSA-N 431.493 0.363 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781027028 OMKLRGNHVINUEC-IJRBDHGVSA-N 444.536 0.435 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782172887 PUVIGUAKAXSOAK-WRWLIDTKSA-N 442.944 0.911 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)no1 1783533867 AKMSSSNROGEJGQ-SJCJKPOMSA-N 443.298 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1783867907 CIXPPWHKBJUOOR-CKFHNAJUSA-N 433.933 0.983 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785519324 PNKVKYQTRPPACK-HVTMNAMFSA-N 443.273 0.464 50 20 ICGD O=C(/C=C/c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786999304 NTGHRWQRRCXBGW-QFGUZTHCSA-N 440.330 0.735 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1789409153 OROUGUWSHIIVQO-IBGZPJMESA-N 449.508 0.558 50 20 ICGD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cccnc1 1795679667 MPDZAKUFYKSLMU-KUCCMMOJSA-N 429.290 0.752 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2)c1ccc(B(O)O)cc1 1795735020 JFAFSUGFXCAEAQ-CCWDJLKJSA-N 428.681 0.537 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccsc3[nH]1)C2)c1ccc(B(O)O)cc1 1795735780 DSDFUTMAABGKJH-JLVBRIDZSA-N 439.302 0.426 50 20 ICGD COc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740677 IBWNYJVVZINWQU-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800759583 WWEHLHCXQGHLED-ORXSELOVSA-N 427.255 0.161 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1801011170 KNYOXIFERQAVEZ-YVWYUNDQSA-N 446.504 0.034 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012554 AIDMWMFMCJKTIE-BBIADKPPSA-N 430.549 0.890 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1803017286 FNWGSWJHPYJKBQ-ZLDLUXBVSA-N 426.315 0.787 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n(C)n1 1805639023 OVTQNPIJNBHORH-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807079347 RIMARJQFJRZBOE-APMMZXSISA-N 432.569 0.834 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807374174 JKLGBPSVWKDLBO-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)no1 1809972764 PUYDCCNWJVPSJK-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1 1813071749 WWVJHDMHOMBQOM-RDTXWAMCSA-N 431.522 0.626 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350139 GBLJRDKKTYSWFV-HOCLYGCPSA-N 428.323 0.143 50 20 ICGD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815354907 XARSKAYDTYTCCM-CQSZACIVSA-N 439.306 0.648 50 20 ICGD CC(C)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795673 REMLVSLIODPCLC-GFCCVEGCSA-N 445.549 0.756 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncon1)CC2 1819797812 LBBJZXCEUCDBOS-QMMMGPOBSA-N 428.434 0.064 50 20 ICGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1)C(=O)O 1823003941 OGPINQHFXWWKMF-QXHCQDJKSA-N 437.291 0.808 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnc1 1826083906 VGDGVKOBOGFESO-CHWSQXEVSA-N 433.538 0.886 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087473 DJLRYOFDIGJEFB-STQMWFEESA-N 448.553 0.356 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827056559 YEMVANXAFIABPI-SFHVURJKSA-N 425.298 0.042 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733735 SEIMCVUUHAWXJF-NQIIRXRSSA-N 435.908 0.767 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830903560 MLLCEBWMIMLAOV-HKOUFZKTSA-N 443.840 0.257 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870460 CPQXJAMDQYFCAA-GOSISDBHSA-N 437.585 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1831871098 LVNWVPKKFFAYHT-MRXNPFEDSA-N 430.571 0.024 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1833081818 UBHHQIFUUNZGAJ-GZNAHNRGSA-N 434.493 0.122 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206813 LPMALAPUJYETKJ-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD CC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n[nH]1 1834066545 DEYVVYXVSARNEJ-QGZVFWFLSA-N 425.917 0.397 50 20 ICGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)C(=O)O 1834737947 KOKWWSCCPGCFIL-OAHLLOKOSA-N 447.374 0.406 50 20 ICGD Cc1ccoc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799904 CEBWJPVNRQXQKX-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C(Cl)Cl)CC3)CC2)CC1 1835483518 GNURNMADYBLGEI-UHFFFAOYSA-N 434.412 0.609 50 20 ICGD CO/C=C(\C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835662131 HWPSQMHUNNXXSH-FOCLMDBBSA-N 429.326 0.102 50 20 ICGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836043543 CXNBCHITEUCRPD-UKRRQHHQSA-N 436.303 0.833 50 20 ICGD O=C(Cc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836191312 JQDMQVQHYFUBNG-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836397261 WSOUJKMQHWZEJN-PXNSSMCTSA-N 430.977 0.226 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837171353 KUNDXKFNMQLGLN-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839017492 OZRPMBPQJBJUEI-XLIONFOSSA-N 426.897 0.755 50 20 ICGD O=C(Cc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198777 AXWOIVIUPYXUNI-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839656388 NPCYITHQTBWJDG-OXFYSEKESA-N 425.913 0.316 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1840036273 IKZYHLUGNMSXQX-ZQIUZPCESA-N 429.315 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840149105 DSXUTXISLCOAKD-PXAZEXFGSA-N 431.829 0.512 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840153427 OJUYZOCFXGKBCN-HNAYVOBHSA-N 426.901 0.153 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840186983 YERWGGCDWJADCC-GOSISDBHSA-N 445.303 0.914 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840438727 MVYDEHUCKWIXRF-IIDMSEBBSA-N 443.342 0.932 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840496192 DQTVFHZEOLEIKI-GOSISDBHSA-N 442.310 0.571 50 20 ICGD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1OC 1843012014 VEWNRMDTQNSQHW-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 727350743 UYKJYUJKGCNODU-UHFFFAOYSA-N 449.514 0.522 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)c1sccc1S(=O)(=O)N1CCOCC1 728075752 MMRUGPCPMUESMI-UHFFFAOYSA-N 436.475 0.971 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)c2cc(F)ccc2Br)C(=O)NC1=S 728610953 PMAJBEUJJTUOEB-JXMROGBWSA-N 445.270 0.596 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936039 BHVCEJGYARCGOO-INIZCTEOSA-N 433.446 0.533 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COCCc2ccccc2)CC1 735117344 RPYYFZRMKMBMSX-UHFFFAOYSA-N 433.534 0.720 50 20 ICGD O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)NNC(=O)c1ccc(F)cc1 740886528 SRLJYTCBGKIBOI-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 744705111 JCXTYMXORDGFPI-UHFFFAOYSA-N 446.441 0.554 50 20 ICGD N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 750047021 LHAZLLNTVANFEI-APMRRYSGSA-N 433.490 0.380 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)CO 753439544 PPWOVROEAKCJPN-LLVKDONJSA-N 430.335 0.533 50 20 ICGD CC(C)c1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccccc1Cl 758044680 MNCFMOJHUREENB-SNVBAGLBSA-N 428.902 0.743 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 758045572 CPTCTSRRXPOELJ-DTWKUNHWSA-N 437.305 0.431 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 763630269 YOXADZHOUABLFX-UHFFFAOYSA-N 439.428 0.984 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 763842027 WIZGVFMTCKWZDL-UHFFFAOYSA-N 442.403 0.640 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 764246219 YCKINSPVEMKGAF-UHFFFAOYSA-N 439.519 0.928 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)ccc1C 764295575 NRNGLKRCGWRIDK-UHFFFAOYSA-N 436.494 0.457 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427059 XWRUQSYFKZEZCO-YOEHRIQHSA-N 432.477 0.511 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@H]1CCCCO1 765120173 ZOGRIFSRCYIDNH-QGZVFWFLSA-N 444.985 0.977 50 20 ICGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766639769 AIDSKPDAMHZDJG-SFHVURJKSA-N 429.521 0.383 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cc1 766648680 KCWPSKGSPIYCBD-UHFFFAOYSA-N 429.481 0.455 50 20 ICGD COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 767099756 YSALSVHOUGFJTE-UHFFFAOYSA-N 446.957 0.848 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 767204358 KUPZFOVPAKVHKM-CVEARBPZSA-N 425.507 0.910 50 20 ICGD COCCN1CCN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1=O 768677328 LSFCBIJJXFYSPR-LBPRGKRZSA-N 443.298 0.748 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 771987461 DKYIMDKOZWJTDI-AWEZNQCLSA-N 442.538 0.939 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 773999818 NMXJQEFGRMJPLU-UHFFFAOYSA-N 442.476 0.919 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c2ccccc2c1=O 775710206 ZTQNYPSZLZKIOI-OAHLLOKOSA-N 449.427 0.151 50 20 ICGD CC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 778654960 DSIXVSSIXSJSLZ-ZDUSSCGKSA-N 429.499 0.640 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@@H](C)O)cc1 779532011 QCNSAEFZRPMQQP-AUUYWEPGSA-N 445.501 0.061 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 780970464 CLTMKUSZUFEVNL-UHFFFAOYSA-N 428.511 0.969 50 20 ICGD COc1ccc(OC)c2c1CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]2O 782147734 XNDMXWAEBAAUFD-OAHLLOKOSA-N 430.417 0.922 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 782832206 NQQXGSWTWDEKJV-UHFFFAOYSA-N 425.380 0.784 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1C(=O)N(C)C 782894093 LAXBVQLOVYLFHM-UHFFFAOYSA-N 436.472 0.912 50 20 ICGD Cc1cc(C)nc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)n1 782997467 QBKPEGJHXMYSOW-UHFFFAOYSA-N 446.537 0.563 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264342 NBMBQLRHXKPQCB-UHFFFAOYSA-N 448.505 0.518 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCS(=O)(=O)C1 783426806 OGJQTBSTMKNQAV-IFXJQAMLSA-N 425.507 0.771 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@]3(O)CCc4ccccc4C3)cc2)CC1 786428216 YJUOPQYFFKCNHF-QFIPXVFZSA-N 444.557 0.986 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cccc1N1CCNC1=O 787540741 DYTVFXIKWOWPSK-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NNC(=O)c3ccccc3F)n2)c1C 789733179 YGNZPZPORDNEQR-UHFFFAOYSA-N 441.423 0.886 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1C 794808178 YQXSIKIBLPMVDG-UHFFFAOYSA-N 444.473 0.244 50 20 ICGD COC(=O)c1ccc(Cl)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 794857465 ILFWMVDQZDJLJW-UHFFFAOYSA-N 432.824 0.024 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797006220 YDSQOHPNFDKACO-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)N1 806977468 KRUOAMNSYHWAMN-CQSZACIVSA-N 430.804 0.761 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)cn1C 808084698 DDIHDYLRSXZDGI-UHFFFAOYSA-N 430.442 0.942 50 20 ICGD N#Cc1cc(O)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 809545049 GEAYGUBILYOGEB-UHFFFAOYSA-N 430.442 0.360 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c2ccccc2c1=O 809933279 YPPSFJAZYGZISR-UHFFFAOYSA-N 444.473 0.112 50 20 ICGD Cn1nc(SCC(=O)NN=C(C[C@@H]2CCCO2)c2ccc(F)cc2)c(=O)n(C)c1=O 811636439 FIRZOHDRNNAXDL-AWEZNQCLSA-N 435.481 0.800 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)cc1OC 815566766 DVLRMFFLTMOSAE-UHFFFAOYSA-N 433.421 0.404 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1 815567595 FBRBBTRKOVDDMP-UHFFFAOYSA-N 438.238 0.906 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 825800843 FKTYSXRDXQNRIR-UHFFFAOYSA-N 429.389 0.588 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(-n2cnnn2)cc1 914405981 GAWWOSGDECLEPC-KRWDZBQOSA-N 431.456 0.965 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 917721595 ZTTRLYCDAYLTPS-UHFFFAOYSA-N 441.531 0.942 50 20 ICGD COc1ccc([N+](=O)[O-])cc1CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 918115084 WSOXVWBBYHZLPR-UHFFFAOYSA-N 426.389 0.995 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)ccc1OC(C)C 919690320 CLQHQUSTLBXJSH-UHFFFAOYSA-N 443.460 0.446 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)c2ccccc2c1=O 919692293 MDSBAITUQKENID-UHFFFAOYSA-N 429.396 0.498 50 20 ICGD CCO[C@H](C)c1noc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1 1322145083 QUSXWRKBHKLWLB-LLVKDONJSA-N 439.498 0.947 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777730991 BKUOFTYEWNGZRQ-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895765 PWPNPWAZQAFSOA-TVQRCGJNSA-N 431.205 0.705 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779076353 YFPJOAJKMCCFJK-QFBILLFUSA-N 444.557 0.163 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1781596009 ZGMJOZDMRNODEE-ZYFNDYIOSA-N 435.427 0.696 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1781997778 GINRXNPCDGRUPV-HBUWYVDXSA-N 430.343 0.906 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1782177726 APXFPWNPVMIINL-OGHNNQOOSA-N 431.946 0.665 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782224954 ZCPOASKCVFKRON-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233577 HYCFESNPYWQFRD-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3)C[C@@H]21 1787508265 UEOGTFPHIVOBJK-WMDQAJGNSA-N 447.561 0.996 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)n1 1787638112 UCRORFIZIHSKPI-YXWQFLTLSA-N 443.342 0.906 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791255449 RPWJRAPUOUGHHJ-OFHBMXJRSA-N 431.917 0.749 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C[C@@H]21 1791290998 VKGJRMZGSOZOMN-QEJZJMRPSA-N 440.932 0.040 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794436124 YWBRVQKMXZLRKM-ZWUHOBOKSA-N 442.900 0.619 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncsc13)C2 1801011229 CIRLDBGUILESSO-HBCWATKFSA-N 445.545 0.873 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804340613 DUWRDXGQWOUUNH-YCPHGPKFSA-N 435.912 0.951 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369895 YCFFFHJVBMHGGP-XLIONFOSSA-N 447.256 0.557 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1813028545 SCGVWILYXPJADB-RVKKMQEKSA-N 435.912 0.949 50 20 ICGD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813635745 ZNZHZVRBJZCYIK-NQIIRXRSSA-N 437.305 0.386 50 20 ICGD Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)s1 1815339589 IYSMBALRGFBCKT-LLVKDONJSA-N 443.319 0.401 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356549 JEQRKRGCSLSHSI-WMLDXEAASA-N 443.334 0.622 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC=CO1)CC2)c1cccc(B(O)O)c1 1815356598 KCJVSKPRRVRNNM-HOCLYGCPSA-N 427.291 0.741 50 20 ICGD CC1=C(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCO1 1815879771 OWDWWCKMBASWTG-AWEZNQCLSA-N 427.291 0.743 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817465166 SKMGKOZSLHFBDP-NWDGAFQWSA-N 434.844 0.046 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)[C@H]1SC(=N)NC1=O 1818096824 FSIDNFXOMQOGNX-KYVBTAMFSA-N 442.929 0.804 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819543828 GGRJDICCHFULKZ-HOCLYGCPSA-N 445.528 0.703 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1830357826 KYAVHRUOFIVNJI-UWJYYQICSA-N 438.956 0.673 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312342 LYHNXMSMWXLXKD-WMLDXEAASA-N 438.960 0.448 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1F 1833706135 RGAZWXWIVMVWNK-LJQANCHMSA-N 442.564 0.789 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903003 YVBOBLUWQBJVKO-SJCJKPOMSA-N 445.314 0.594 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1835025979 GSUAFGJBECUYOV-FXAWDEMLSA-N 426.897 0.294 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835680310 HGKFTYUXEWNMSG-RBUKOAKNSA-N 449.379 0.961 50 20 ICGD C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737370 MJVRAQMICOBUTC-UHFFFAOYSA-N 426.521 0.284 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)N1CCN(C)CC1 1836372400 DPTRVVSNKORUHD-OAHLLOKOSA-N 448.439 0.998 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837756893 KQLBSFFVVSJSTJ-KBXCAEBGSA-N 430.864 0.529 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838024754 NGFOMWATDDDQBS-BEFAXECRSA-N 428.917 0.788 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838890441 WFXUBSGUOZTNAD-JXFKEZNVSA-N 442.896 0.725 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)nc2nccn12 1839548898 PKDJXYVXPANAIN-KBXCAEBGSA-N 425.848 0.642 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031340 MSZLVRLYDFOBKX-YOEHRIQHSA-N 429.315 0.431 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840154573 ZQTGRUHHQRFHSM-KUHUBIRLSA-N 441.868 0.134 50 20 ICGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)c1ccccc1 1840187914 DTLVDTGPOHCAGI-KXBFYZLASA-N 430.332 0.989 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189125 YOEMGYXIRBABQF-CYBMUJFWSA-N 446.213 0.697 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840488163 VFUXQMKYLKUHJV-XGERFZHZSA-N 443.273 0.637 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1845704397 DRUBTBWCTBSREG-UHFFFAOYSA-N 433.273 0.382 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O 3368549 POPCVXATQNMGHW-UHFFFAOYSA-N 425.357 0.460 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 726377143 KXXXLNKCJVGNDU-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CCN(c2ncccn2)CC1 728844963 BJCOFLSRYIOWJT-QGZVFWFLSA-N 429.525 0.768 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1cccnc1 728892736 FFHZIBPAXQUNPE-UHFFFAOYSA-N 441.307 0.903 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1C 728957417 UTUFWGALZOILRL-UHFFFAOYSA-N 431.518 0.988 50 20 ICGD Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 729664709 AMPIKTLUQCCZJU-UHFFFAOYSA-N 425.492 0.771 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3=NNC(=O)C3)c2)cc1 731865211 IZWIJZQAXCVUKM-UHFFFAOYSA-N 431.430 0.133 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1cnn(-c2ccccc2)c1 733348539 PISUQMMPQQXUKT-UHFFFAOYSA-N 442.501 0.936 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 734242044 POPMMSDLUPXISJ-UHFFFAOYSA-N 447.489 0.349 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735498953 OKLHAPOPLBAAFZ-UHFFFAOYSA-N 435.458 0.743 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3cccc(Br)c3)[nH]c21 742772032 OSKYGZQBCRSITL-UHFFFAOYSA-N 435.238 0.519 50 20 ICGD CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NNC(=O)N2CCOCC2)cc1 745992780 KHAZVGHFXMRCIW-UHFFFAOYSA-N 438.506 0.998 50 20 ICGD Cn1c(N)c(C=NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(=O)n(C)c1=O 749815732 QQAGVXFUOFNNLN-FQEVSTJZSA-N 446.511 0.743 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccnc2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 752722776 DXBHLAAMDWXYPA-UHFFFAOYSA-N 449.493 0.463 50 20 ICGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 759294888 XDYBLGRJEQTDLI-HNNXBMFYSA-N 425.405 0.983 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759693450 XXFJDRQELVCRIC-CQSZACIVSA-N 446.957 0.449 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2O)c2ccccc2O1 763530419 VDUWOMAADZXSEI-KRWDZBQOSA-N 426.429 0.474 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 763684385 KMYPTLCHLWIZCB-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 763960663 SHZLTIZZTZSNIB-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764269126 WWRRTRYCGNRWER-UHFFFAOYSA-N 436.428 0.691 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 764379232 SMUBVBBYCHPKCN-UHFFFAOYSA-N 436.371 0.699 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 765322133 HELRNZCPLRYRSW-ZDUSSCGKSA-N 432.481 0.777 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1ccnn1C)c(=O)n2Cc1ccccc1 765993959 CJAIOVOQCVUJKM-UHFFFAOYSA-N 448.487 0.702 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 768273956 LDQHVXTYYLTWMX-OAHLLOKOSA-N 436.450 0.631 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)nn1 772838405 IKTASJFKKGYTPU-UHFFFAOYSA-N 442.457 0.653 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 773422269 VVGXEMVBDWWNJN-JBJRXJHCSA-N 446.504 0.588 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2[nH]cnc2C(=O)c2ccccc2)c1 776312796 PDXIYRKDVXKFGM-UHFFFAOYSA-N 441.469 0.966 50 20 ICGD O=C(COC(=O)c1cc(OCC(F)F)ccn1)NNC(=O)[C@H]1COc2ccccc2O1 778184499 VLAADDUHUKCSJQ-OAHLLOKOSA-N 437.355 0.870 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)nc1C 778429583 LVJSFUPKLWTAGA-UHFFFAOYSA-N 440.460 0.744 50 20 ICGD CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n1 782964364 CPSWTFZKEVAYBV-UHFFFAOYSA-N 448.867 0.953 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNc2ccc(C)nn2)c1 783952023 NRMKQFSCEOIWPI-UHFFFAOYSA-N 449.537 0.963 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)N1CCCC1 787539463 VYFQRXLQSGMVLO-UHFFFAOYSA-N 448.505 0.968 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789732817 YMYWBBUQSNLZDG-BJDJZHNGSA-N 426.520 0.567 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)ccc1-n1cnnn1 789810887 SLMYHMNWJGPYJO-WMZOPIPTSA-N 435.444 0.629 50 20 ICGD COc1ccnc(NNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 795166778 VHXRFBHDBBXHAP-UHFFFAOYSA-N 429.499 0.743 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(N)=O 797072341 TWRSOFLTQZZNEO-UHFFFAOYSA-N 447.473 0.150 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1cnn(C)c1 797163255 XUYLOKGSBYJHLB-CQSZACIVSA-N 431.453 0.509 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 799293669 JYISVPZPMOLNJW-UHFFFAOYSA-N 428.470 0.962 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)cc1Br 806976724 KZIZMAIRJWXPKX-MRVPVSSYSA-N 436.259 0.417 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806977340 FKXJMIKPWARCMF-GOSISDBHSA-N 446.410 0.891 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2C1 815692021 HOSAMSQFFKEIFU-ZBFHGGJFSA-N 439.520 0.987 50 20 ICGD CN(NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087774 KZCCKXDGSPFSHZ-CQSZACIVSA-N 432.543 0.837 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 915832221 OQPUHFATUBQAJH-YPMHNXCESA-N 445.444 0.475 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 916649844 LHQLFKKRZVZWBC-HNNXBMFYSA-N 446.508 0.968 50 20 ICGD O=C(NCc1nnc2n1CCCC2)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916649923 XFNIPELRVFKMKS-UHFFFAOYSA-N 447.521 0.543 50 20 ICGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 918399209 LKLMUSMOXJXCKF-OAHLLOKOSA-N 444.565 0.848 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1OC 919691818 ASSJYEKPYHNITA-UHFFFAOYSA-N 425.401 0.544 50 20 ICGD CCCCc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919887263 YXDGZVHRGKACDY-CVEARBPZSA-N 436.534 0.900 50 20 ICGD CC(C)n1nc(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c2ccccc2c1=O 920365890 IECUKKPHCLEEEI-UHFFFAOYSA-N 436.432 0.427 50 20 ICGD COC(=O)Cc1csc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 920931265 JDCMQWDURGCYAD-UHFFFAOYSA-N 441.491 0.575 50 20 ICGD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116119308 IRKCMTNNGUUQOA-UHFFFAOYSA-N 446.533 0.969 50 20 ICGD CCOC(=O)c1ncc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 1117332068 IAQYBXIKUHXAID-UHFFFAOYSA-N 440.503 0.710 50 20 ICGD CN(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1318076404 VPFYVRYGSIXDGZ-LBPRGKRZSA-N 449.327 0.285 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)C1CCN(S(=O)(=O)c2cccnc2)CC1 1322274519 YPRSBUQLYCBELX-UHFFFAOYSA-N 428.478 0.601 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778030593 MHLSYPWKUWNQRV-LUXYFRNMSA-N 436.864 0.530 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@](C)(Cl)CCl)C1)C(=O)O 1780713302 QERQOSXUMRHXLH-COCCGSRQSA-N 438.352 0.799 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781058711 CJHPBZOCGNELJP-QOIOWGMHSA-N 427.929 0.471 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783929849 PSCAKXDEXLJLHH-YUELXQCFSA-N 425.251 0.123 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783936926 XTMHLPIXKYAFAZ-HXUWFJFHSA-N 437.928 0.860 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783963906 DFNNKJRLFAIDSC-QTVXIADOSA-N 432.359 0.912 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783966976 NONZBFLSIJEKNY-YTFOTSKYSA-N 430.343 0.688 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508727 JWWYLBWAQZJCCK-LULZSRGJSA-N 446.552 0.474 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788547554 HQJWAPGYLAQGCH-QHNLCMDKSA-N 437.924 0.829 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN(C)C(=O)C(=O)O)cc2)CCC1 1791097684 QDQZVKSBJYWODE-UHFFFAOYSA-N 447.492 0.037 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791290844 AKCQRYMCYFTDRD-FHWLQOOXSA-N 448.564 0.038 50 20 ICGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792870333 DFKOICSCNDOUAG-NRWUCQMLSA-N 435.388 0.091 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793617305 QZWAGXKTKIQANW-IPJQOSJUSA-N 442.310 0.065 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)NC(=O)NCc1ccccc1 1795420074 XUFGIZKAKAJXCO-RMFSNUHRSA-N 442.520 0.226 50 20 ICGD Cc1cc(Cl)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736799 HDNDKKMVBAIGLW-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn2cccc(F)c12 1796193033 JDNGOPGXXPMRQH-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(F)c1F 1798987375 ZFEFSBPKQMCCIQ-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2)[C@H](F)Br 1799344403 LEXXWWBWABEPPO-VZAMPYOESA-N 434.306 0.669 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)n1ccccc1=O 1799348985 FHSSSYGIEJRIOY-QIRZIZBZSA-N 430.274 0.689 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1800256122 SSHFQHYKOUYQMP-QDMKHBRRSA-N 425.493 0.520 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccsc3[nH]1)C2 1801012921 NGJMRUIHAOSDAV-ZSBFGKGUSA-N 433.534 0.806 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cccnc1 1803135836 INTTVXRDLGBSFF-AYBZRNKSSA-N 445.907 0.512 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365864 WPUOCTDKJSFIOQ-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1811093171 VROWVUQPNOCHKS-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)C(Cl)Cl)[C@@H]2c2cccnc2)N1 1813076006 NBCUPUFLJCBYMN-MDZLAQPJSA-N 428.276 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(O)nn2)n[nH]1 1816300480 WTUYMSHGDYVVIM-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(=O)n2C)n[nH]1 1816316785 MVHUMKVOFKHGPJ-HNNXBMFYSA-N 443.508 0.787 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1816781663 FQSJXJPJAMZNIP-CJNGLKHVSA-N 444.330 0.837 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSC(=N)N)n[nH]1 1817303947 NGJAVOBSIBFCIV-CYBMUJFWSA-N 438.558 0.792 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817476781 CMQUATNLCDCFBL-MRXNPFEDSA-N 440.265 0.349 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@H](F)Cl 1818036734 ZXSPSPNNZPSWOR-DOMZBBRYSA-N 435.909 0.667 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc[n+]([O-])cc2)n[nH]1 1820033780 JLMOLUVMWBQMHT-INIZCTEOSA-N 429.481 0.722 50 20 ICGD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n(C)n1 1822410543 LSYMJMBRQMJPHP-CQSZACIVSA-N 446.512 0.831 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837879626 YKYGFDGBRKZJCV-GUYCJALGSA-N 427.299 0.720 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)CC)CCO3)nn1 1839145668 BUZGBNHQFRJTFD-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839240747 SLAMYYBAUYJZHQ-HXUWFJFHSA-N 438.601 0.877 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840032400 XTAVTTYPKJLDJP-RDTXWAMCSA-N 443.342 0.593 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1840184654 ZXLVNONDSGKRTQ-LJQANCHMSA-N 442.900 0.376 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1F 1843015198 SGEUFLUONARGCO-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H](O)C(C)(C)C)C2)NC(=O)NCc1ccccc1 1845038374 VYDOQKYMLWLNRP-IBGZPJMESA-N 445.564 0.943 50 20 ICGD O=C(COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccccc1 11386629 KUMQZXYYLJSWSA-UHFFFAOYSA-N 426.341 0.195 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1 18183545 ULWZGKGEKDGZSX-UHFFFAOYSA-N 435.506 0.187 50 20 ICGD Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4ccccc4Cl)CC3)ncnc21 23662118 QXPHIXUBLFTKHD-UHFFFAOYSA-N 428.884 0.600 50 20 ICGD C[C@@]1(NNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCS(=O)(=O)C1 726272111 DPMNZQTZKULYMP-GOSISDBHSA-N 444.579 0.742 50 20 ICGD CCCn1nc(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c2ccccc2c1=O 727752488 AYHFZTARJCSWCU-UHFFFAOYSA-N 440.460 0.336 50 20 ICGD CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728510113 UKPHWHPNLYGHIE-QMMMGPOBSA-N 444.329 0.095 50 20 ICGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2ccc(Br)cc2Cl)nn1 728827475 QJMCWTUAELXMGK-UHFFFAOYSA-N 429.662 0.857 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 728931706 FYDWBTBYLGSHLL-OAHLLOKOSA-N 439.944 0.260 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 728975783 NFOWCACSUAMKGA-SNVBAGLBSA-N 438.731 0.982 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 729258380 RVASDLDZDUUSND-UHFFFAOYSA-N 443.485 0.458 50 20 ICGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 730130326 KPMBUWPEWHHHKT-LJQANCHMSA-N 431.585 0.165 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 730203240 KCPGORLDHPTHMS-UHFFFAOYSA-N 449.363 0.825 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F 730823417 KCGNUCQXWOWYGU-MRXNPFEDSA-N 431.371 0.675 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 732893733 RAWILIFSEIAWID-OAHLLOKOSA-N 434.449 0.979 50 20 ICGD CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118310 RJDVQCIDXLEPAA-OAHLLOKOSA-N 438.554 0.252 50 20 ICGD O=C(Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1)NNC(=O)c1cccs1 735233230 MXPZWLNCPPEUDF-OAHLLOKOSA-N 427.490 0.769 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H](C)CN2CCOCC2)nc1 739060199 ZXWFKFIWQJOUGI-HNNXBMFYSA-N 428.559 0.707 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 740635184 SFNWPMGQFFUPPL-SFHVURJKSA-N 449.460 0.611 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 743257897 REHISWUIWFIKTH-VIFPVBQESA-N 434.565 0.841 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 744386457 FWHWWALXDQCJMH-UHFFFAOYSA-N 446.511 0.526 50 20 ICGD CN1CCC(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 746101352 YZYRAYLIWREKJT-UHFFFAOYSA-N 438.550 0.129 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 749404189 VDEYFWFLDUEZGV-UHFFFAOYSA-N 439.519 0.151 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 751200653 SIYOCDNLXJIXTE-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755446686 DUEAFXYPWNGYNR-CYBMUJFWSA-N 446.551 0.695 50 20 ICGD O=C(NNC(=O)c1cccc(I)c1O)C(=O)Nc1ccccn1 755492379 JVXWIPOUOZTBDX-UHFFFAOYSA-N 426.170 0.792 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 757048270 PVDVIYOPASGCSO-ZIAGYGMSSA-N 426.477 0.771 50 20 ICGD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758029016 HWSPTJVOLXAMRZ-IFXJQAMLSA-N 448.545 0.608 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc12 758535738 RJUHLTQAKKSPEG-UHFFFAOYSA-N 443.323 0.531 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760301742 IRLUYYNILZTXCR-UHFFFAOYSA-N 444.448 0.648 50 20 ICGD Cc1cn2ccnc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)c2n1 762871470 QMGUJBHWQZHINF-UHFFFAOYSA-N 430.494 0.126 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 763468962 ZBYLGURUPWIISV-UHFFFAOYSA-N 440.460 0.742 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 763804401 MQPLSGCHECZQBJ-CYBMUJFWSA-N 432.393 0.135 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 763958754 ZUDVJSLCEAFSIV-UHFFFAOYSA-N 426.429 0.688 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 764003044 XBVYHBUHIPIXRA-CYBMUJFWSA-N 441.469 0.546 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 764106815 UPCVNHREODVCAM-UHFFFAOYSA-N 433.900 0.913 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1O 764132362 UWQFNBOEKNOTJR-UHFFFAOYSA-N 437.416 0.789 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764162625 DHNBKJIXEWCYTQ-MRXNPFEDSA-N 432.458 0.538 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cccc21 764204438 UHVNMEMENQNREM-UHFFFAOYSA-N 435.437 0.522 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 764286483 VQPRLGJYIJHVQD-UHFFFAOYSA-N 446.265 0.746 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cc1C 764399978 OMHDWAJZGIAJKQ-SNVBAGLBSA-N 449.245 0.737 50 20 ICGD COc1nccnc1NNC(=O)C(F)(F)C(F)(F)C(=O)NNc1nccnc1OC 764471553 XTCFQNPGTOOAAI-UHFFFAOYSA-N 434.310 0.141 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnn2ncccc12 765426043 SVXHUOGCAJRAFT-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD O=C(Cc1nc2ncccn2n1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766668681 MGBNZQHKYOZKKU-UHFFFAOYSA-N 442.911 0.285 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cnn(Cc2nnc3n2CCCC3)c1 772642136 RVPCXXOGVCDHSM-UHFFFAOYSA-N 448.451 0.301 50 20 ICGD CS(=O)(=O)N(c1ccc(OCCNC(=O)NNc2ccccn2)cc1)S(C)(=O)=O 773721819 PLPUVSBQIRCYGM-UHFFFAOYSA-N 443.507 0.512 50 20 ICGD COc1cccc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 780772250 HVMZDPXNMBYHHV-AWEZNQCLSA-N 442.519 0.315 50 20 ICGD Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 782551151 ZHJPOHWYEBSLMB-SECBINFHSA-N 433.512 0.930 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 784002042 KBIGHINHMMTQJP-UHFFFAOYSA-N 428.323 0.737 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cc(Cl)ccn3)cn2)C[C@@H](C)O1 784856533 QDIPLQMSWWXPAH-VXGBXAGGSA-N 435.872 0.649 50 20 ICGD COCc1ncsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 785669284 AVZBCLTZWNHBIW-UHFFFAOYSA-N 440.503 0.385 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1OC 790083191 NVHZQCVYYUMZPY-UHFFFAOYSA-N 427.211 0.190 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 793416759 PKBGPENDTGTMTQ-SFHVURJKSA-N 440.403 0.665 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 795325385 MUYZVKHZLUPHFY-UHFFFAOYSA-N 443.485 0.872 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c(C)c1 797007026 MVCDZNJWAJGWGM-UHFFFAOYSA-N 428.445 0.544 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)CCc1ccco1 799259145 PHFXZYRPIKEHGF-QGZVFWFLSA-N 428.445 0.916 50 20 ICGD CCSc1cccc(F)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 810328444 QNIBWWSQZIETJX-UHFFFAOYSA-N 449.468 0.538 50 20 ICGD N#Cc1ccncc1N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 814271067 WEWVQCQBKUREQP-UHFFFAOYSA-N 442.505 0.423 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)nnn1CCOc1ccc(F)cc1 815569969 NAFOQFFTBSUYKV-UHFFFAOYSA-N 441.423 0.528 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778735 DEWHRCUKGYWPHI-CQSZACIVSA-N 442.494 0.037 50 20 ICGD CCn1c(NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O 823888132 WASAZSSNJRVFRH-UHFFFAOYSA-N 426.458 0.710 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNc2cccc(OC)c2)n(C)c1 825801107 KEAAJTXXSHRBBC-UHFFFAOYSA-N 437.522 0.937 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 913455085 IZFAIKCIIINVOU-CYBMUJFWSA-N 432.458 0.460 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914878655 NRFHAZYOQYBQMH-DLBZAZTESA-N 429.498 0.565 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)nc1 917253551 SUXICRGPFBDUNN-UHFFFAOYSA-N 430.895 0.892 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1nn(-c2ccccc2)cc1O 917362615 YNEDNOCUILTVRW-UHFFFAOYSA-N 449.876 0.971 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4n[nH]cc4c3)CCO2)C1 1779030848 YASBSMBPDRWPKV-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1779034845 VICTZIZZNUECIH-DVECYGJZSA-N 449.511 0.859 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1N(C)C 1781125172 IUAKSVLVYVEADL-OXJNMPFZSA-N 425.913 0.804 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335374 YIEBSFSPSSSXNO-JOYOIKCWSA-N 444.183 0.958 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1781997731 FJPOQHRPZPRLFH-YWPYICTPSA-N 425.345 0.328 50 20 ICGD O=C(COc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783354665 BKGUPRYFHIUPJK-JOCHJYFZSA-N 442.252 0.028 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783406934 HZZHIWYWTLVCSU-PXDATVDWSA-N 448.328 0.615 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ncc1[N+](=O)[O-] 1783934786 MBUJUSXRLREAFC-FQEVSTJZSA-N 448.480 0.115 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2c[nH]nc12 1787321555 WKRAFKCVGKNDMM-VDGAXYAQSA-N 448.288 0.150 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791616442 CKXRKBLLEVBQIH-YTFOTSKYSA-N 428.331 0.992 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)nn1 1792872507 LETVWEMYQXRHLJ-MCYUEQNJSA-N 427.299 0.719 50 20 ICGD Cc1cccc(Cl)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735852 GLCOANSFSDAYJL-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800675249 AICPQZOQFSUIQF-NRWUCQMLSA-N 434.331 0.884 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)C(Cl)Cl 1801021146 JTPLXGZBRFKEKO-AKZRSSKFSA-N 426.347 0.240 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3sccn13)C2 1802336044 BUUMQMCPQIJKHX-BTTYYORXSA-N 446.533 0.381 50 20 ICGD CC(C)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807320847 WZMYRSYYGGXCNX-DENIHFKCSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811458504 DOYJLLQJQXLFKN-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1815056703 PSLLHLIGYZILSU-IUCAKERBSA-N 432.344 0.433 50 20 ICGD O=C(CCN1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815363983 FCUZCWPZHLAQSC-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD Cc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1816288364 JYPXYLZAKIOPSB-GOSISDBHSA-N 434.265 0.808 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnco1)CC2 1819793009 GOBKURUWPZZXDY-SECBINFHSA-N 427.446 0.669 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cncn1 1822763182 NKYKSACTYLNFBK-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD O=C1CN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](F)Br)sc3C2)C(=O)N1 1823002766 RVMOHVDGWLSTGS-KBUNVGBDSA-N 448.274 0.297 50 20 ICGD Cc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c1F 1826080555 QJFJDOKDLRJBDN-SNVBAGLBSA-N 437.501 0.913 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)c1cccc(B(O)O)c1 1826338761 JRCGZRIRZZTSNI-RCBQFDQVSA-N 443.334 0.600 50 20 ICGD O=C([C@@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399428 ZATFDPFBHDNTLV-GXTWGEPZSA-N 425.852 0.580 50 20 ICGD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1828396857 QXNJZQXSGQUPLS-INIZCTEOSA-N 442.350 0.535 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829830874 IVIAWGQEBFBTKB-DHSIGJKJSA-N 445.310 0.943 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)C1 1830720392 YRRCMGDCIOBVAF-UGNRZPKXSA-N 440.899 0.985 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830733444 MLQRQROMOZKGFV-SYNHAJSKSA-N 426.897 0.510 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830798161 CZSRWBWZCUKPAV-FOIQADDNSA-N 448.944 0.555 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831816109 RNOZPAIGETWQEL-WMLDXEAASA-N 447.305 0.797 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)o1 1831870753 DVDIDNWJIKIHNO-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832937277 PERBRSNQROXFLV-YSGZUTGPSA-N 445.524 0.408 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1834422336 IOEMSSMAKBNTKU-UHFFFAOYSA-N 445.358 0.795 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835495803 WSROYLLNVKQROG-QFBILLFUSA-N 437.859 0.872 50 20 ICGD Cc1cnc2c(C(=O)NC3CCN(C4CCN(C(=O)[C@H](O)CCl)CC4)CC3)cnn2c1 1835562230 LLACLDISTPUTOS-GOSISDBHSA-N 448.955 0.823 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)n(C)n3)CC2)CC1 1836205005 XJEDNBGABBGEKV-INIZCTEOSA-N 441.960 0.868 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1836282268 LGIAMHFROGJEFH-PXAZEXFGSA-N 429.315 0.826 50 20 ICGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c2cccnc21 1837187258 WTKRWSQYABVCQQ-OXJNMPFZSA-N 436.896 0.243 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742191 WNBJHWYAPUSHAY-PXAZEXFGSA-N 425.283 0.740 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839199732 SNSSUYSKPBBMPQ-GDBMZVCRSA-N 433.278 0.110 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839962456 FRFSLKFIRJWQRX-YJBOKZPZSA-N 442.310 0.564 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107627 UKIWGRIANMHDFL-KDOFPFPSSA-N 446.342 0.239 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840153246 IKKAROQMFNENRC-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnc(C(F)(F)F)c2)C1 1842327633 HVTNPNZQYGONHI-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1844999938 XKITYSZNQWVYSO-UHFFFAOYSA-N 442.302 0.274 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846646864 PJTWLRXIHHHTNG-GFCCVEGCSA-N 443.420 0.585 50 20 ICGD O=C(NCc1ccccc1CN1CCOCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12 9754539 GUKYUJRNZLTWBA-UHFFFAOYSA-N 436.472 0.900 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nccnc2N)c1 10099759 TXDCQGPXNPMJPU-UHFFFAOYSA-N 442.457 0.943 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 17197402 ORGBGLOFHYATDG-UHFFFAOYSA-N 449.475 0.618 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCNC(=O)c2[nH]nc3ccccc23)c2ccccc2c1=O 116709002 SZBWNFFMBZNSAT-UHFFFAOYSA-N 447.455 0.874 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730512193 JFDNCNBTILOFHP-UHFFFAOYSA-N 448.439 0.877 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1Br 732032832 IFCPYGQIJXFDAN-QGZVFWFLSA-N 439.266 0.939 50 20 ICGD CCOCCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 734682485 AXTXLEPOEMHGQW-MAUKXSAKSA-N 430.513 0.743 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCCC[C@H]1C 737054379 NHYPNBJYHFZSSG-KGLIPLIRSA-N 439.538 0.670 50 20 ICGD O=C(COC(=O)c1cc(N2CCNC2=O)ccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1 738698490 GFKMVRLSXVBGJS-UHFFFAOYSA-N 445.363 0.882 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 742033867 VOKPGAFSWXULRT-UHFFFAOYSA-N 449.485 0.397 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1nc(Br)cn2ccnc12 750243979 SATBJSBOHRMCAH-NRMKKVEVSA-N 449.265 0.487 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 751540922 MVNBVMDHSVZEAG-ZETCQYMHSA-N 446.732 0.782 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)[C@@H](C)O)cc1 754754188 MMGMBWPMPSETBL-PBHICJAKSA-N 445.501 0.440 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3ccncc3)c2)CC1 756359642 PQUNRGJGHDQZNE-UHFFFAOYSA-N 446.533 0.803 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836500 WKIWENRQNBHWLO-UHFFFAOYSA-N 446.464 0.372 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 758040043 NHZPAYCVTAKXBM-CYBMUJFWSA-N 439.515 0.359 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758521934 ARORZLCSEJBBTE-UHFFFAOYSA-N 439.353 0.671 50 20 ICGD O=C(NCCN1CCN(c2ccc(F)cc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758689739 RZZAXSFHBBBWQW-UHFFFAOYSA-N 429.456 0.312 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 758740920 ADVLWYNYZYWMDT-CYBMUJFWSA-N 430.502 0.985 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1ccc2nnc(O)n2c1 763020875 LGNVFWQVQUNPQA-UHFFFAOYSA-N 443.895 0.667 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1NC(C)=O 763574300 YJJXFMMYZFIBGG-KRWDZBQOSA-N 428.401 0.580 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc21 763803758 NNDJPUKBALSTHG-UHFFFAOYSA-N 429.389 0.588 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763808539 YAPHEKCYJSBLQH-CYBMUJFWSA-N 439.428 0.697 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cnn(C)c2)c2ccccc2c1=O 763822176 YLGWKQZMFHUNND-UHFFFAOYSA-N 425.449 0.720 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763823245 ACNIGQHCWCZJCR-UHFFFAOYSA-N 431.474 0.057 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)c2)CC1 763837624 JZDXNJORSYQLBQ-UHFFFAOYSA-N 443.479 0.738 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 764004845 OXLVKPVMPQIWGX-UHFFFAOYSA-N 440.254 0.608 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)n[nH]2)cc1 764112531 ZHXUYCOAJUPNFG-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)C2CCC2)c(OC)c1 764334617 HMKXEFNPQCFXHF-UHFFFAOYSA-N 431.449 0.843 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1[nH]c(-c2ccccc2)nc1C 764817469 QAXRTELSKFLSLK-UHFFFAOYSA-N 434.460 0.673 50 20 ICGD COc1cccc([C@H](O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 765199448 VUWQJPFJLJFJIL-IBGZPJMESA-N 434.518 0.808 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccnc1N1CCCC1 766647303 FQPCBAKSHUJAAW-UHFFFAOYSA-N 436.516 0.901 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 767735113 JWTUUJLVOVCHGV-UHFFFAOYSA-N 443.503 0.577 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(OC)c(Br)c1 770178441 ZWHKVIQOCAHIJL-UHFFFAOYSA-N 438.300 0.175 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 772071773 WIUDSBJVNXXURO-ZETCQYMHSA-N 442.313 0.278 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897521 JXBLKVGCVJFUSL-RDJZCZTQSA-N 449.939 0.436 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 774000275 RRFYJRXHUIHQOU-UHFFFAOYSA-N 441.492 0.953 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 775238139 HUGWNLMVHUINCJ-GFCCVEGCSA-N 435.462 0.615 50 20 ICGD COC(=O)[C@H]1CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 776248812 PCORCVYJUYTEBP-GOSISDBHSA-N 429.429 0.905 50 20 ICGD CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)NNC(=O)CNC(=O)c1cccs1 777500126 WVLVMUUJZZOTDT-UHFFFAOYSA-N 435.453 0.968 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 777941957 ZZVDLFUXBVUQJN-UHFFFAOYSA-N 437.858 0.638 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCS(=O)(=O)C1 783427299 OESYIMRVFANTHH-QGZVFWFLSA-N 428.898 0.603 50 20 ICGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@@H](C)O1 784002144 KESSWHNYNFIQSF-OKILXGFUSA-N 443.460 0.409 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 784002621 IMDREGFYOZDTMX-UHFFFAOYSA-N 437.456 0.325 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)n1CC(C)C 788001127 UVVYFTBINXYJAS-IRLGVORXSA-N 448.589 0.970 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)c1ccc(-n2cnnn2)cc1 789070465 ZJXJCUQKMDHNFT-DZKIICNBSA-N 430.494 0.149 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)c1cc[nH]n1 790323902 YDGRFCQMBGSFFF-KSSFIOAISA-N 429.433 0.414 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1cnn(CCN2CCOCC2)c1 814655473 YJYPEWQJKIBQQU-UHFFFAOYSA-N 437.526 0.614 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816873982 RVAXDOIUBQFKDE-HOCLYGCPSA-N 441.448 0.509 50 20 ICGD C[C@@H](NC(=O)CCC(=O)N1CC[C@H](B(O)O)C1)C(=O)c1ccc(Br)cc1 864231190 JYXNFZLNLRFZMK-YPMHNXCESA-N 425.088 0.992 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3c(C)nn(C)c3nc2C)cc1 914595760 VKCMDRZNLOTWGQ-UHFFFAOYSA-N 444.517 0.975 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1=O 919243075 OCXRQZCWSCGSLX-OAQYLSRUSA-N 442.403 0.597 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3ccccc3OC)cc2S1(=O)=O 919822401 SGTITMGCKOVOLH-UHFFFAOYSA-N 447.469 0.490 50 20 ICGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 921022874 QENWSVNQGMZRSH-ZBFHGGJFSA-N 425.507 0.816 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1255250392 NHGQRDHEEZIECJ-KBPBESRZSA-N 443.526 0.053 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1318374892 XBBKFICJJSMVCC-UHFFFAOYSA-N 431.493 0.486 50 20 ICGD O=C(NNC(=O)c1ccccc1SCC(=O)N1CCCC1)N[C@H]1CCS(=O)(=O)C1 1324094658 FWEPYQUQKHBTSE-ZDUSSCGKSA-N 440.547 0.532 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1779034749 UGTBJZINZIIRKP-QFIPXVFZSA-N 427.505 0.709 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1781227890 FRBFBKQWLPCFCV-ZWKOTPCHSA-N 444.319 0.306 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335376 YIEBSFSPSSSXNO-SKDRFNHKSA-N 444.183 0.958 50 20 ICGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783136259 AABIKPBTMKOQJC-LIRRHRJNSA-N 446.932 0.085 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCOC2)C1 1783214954 CYLJWONFAMAQQC-QXATTWAWSA-N 445.520 0.239 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783532048 IBQJZRNCBLVYCH-GTNSWQLSSA-N 425.283 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3=COCCC3)C2)C1 1784001774 LXPRQISRUOHUHX-VQYZLWMVSA-N 429.477 0.645 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1785478564 OBFHZFVDKRTRNY-MGPUTAFESA-N 445.944 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(F)(F)F)[C@H]2C1 1786685960 JFCOZNGZGKVBLJ-CQDKDKBSSA-N 443.426 0.621 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1787405622 RFKCWOAMNHPVEM-QMVSFRDZSA-N 433.347 0.444 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21)[C@H](F)Br 1789926132 OKLFLKNJZJWCEZ-BJDJZHNGSA-N 441.261 0.408 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1794000606 WLPROPCNWJHLDA-QHBPRCKVSA-N 430.259 0.166 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)F)NC(=O)NCc1ccccc1 1795164299 LTVDCZFJXVQZRT-SCAQPMJSSA-N 439.463 0.187 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)oc2ccccc12 1795739283 ZBFRZVFYKPYVLT-UPHUGPLXSA-N 448.284 0.938 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797753894 JYWSBMXLYYENRS-XEMDLRDOSA-N 448.483 0.382 50 20 ICGD CCOC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1F 1798532074 ZHQGBLCKVGPRNX-DJZPMSPPSA-N 442.871 0.805 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H](O)Cc1ccccc1 1800636389 XAYADGMLMQOQIK-JKJDWNRSSA-N 429.286 0.870 50 20 ICGD Cc1cc(F)cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801084000 SAMKUSMMULEGEZ-FAQVEIGNSA-N 434.512 0.639 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803917817 SUBRKIUHJAAVAH-FTRWYGJKSA-N 448.907 0.656 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807363740 NUUFRMZBASBRJI-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2(F)CCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367797 MORJCONRXLPOKK-HKUYNNGSSA-N 425.269 0.973 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cn1 1809968900 HEMKWSKIYCLNJL-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C2(F)CCC2)[C@H]1c1cccnc1 1813683361 UGWCRGBROREKKT-PKOBYXMFSA-N 425.269 0.973 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CCCOC1 1814155995 XTDOCGDEQRUVFG-IRFCIJBXSA-N 437.305 0.508 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815263382 UFMWIXYXSOLSJZ-HNNXBMFYSA-N 430.339 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCC4)sc2C1 1819289751 BZDBSDDIJJHTPO-GFCCVEGCSA-N 445.549 0.885 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821632197 SRXLXEWRZMDUSX-YLZCUGDYSA-N 439.281 0.435 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822373156 WCVQSCRRBGVORF-JQWIXIFHSA-N 435.872 0.858 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824534439 VABJPYLSORCSMK-GOSISDBHSA-N 437.585 0.894 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826834782 ZJWDWPZLZDREMP-ZIAGYGMSSA-N 447.565 0.961 50 20 ICGD O=C(c1ccc(CO)o1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051867 HXMRQFTXVCXSHP-FQEVSTJZSA-N 440.305 0.999 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738435 PMSNNJOLMXPOKB-KNQAVFIVSA-N 436.936 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833665892 JXSUQVVRQGPQGT-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1834408528 JWUDMYHHQDWCLI-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797814 JPKQPYIIKSPYJR-KRWDZBQOSA-N 443.353 0.143 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)[C@@H](O)N1CCOCC1 1835763474 CHGCJSCFPDGIRA-GOSISDBHSA-N 437.368 0.012 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)o1 1837712503 VVFQCTFESHANQI-LJQANCHMSA-N 440.573 0.662 50 20 ICGD Cc1ocnc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919197 PUZKMOWYSZRNKM-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967987 MUKIRYNLQCVWOD-QGZVFWFLSA-N 433.340 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccncn3)CC2)CC1 1838118972 WRABFGVOKGWHCQ-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD O=C(c1ncccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838250891 ZDVOOKORSCCRFS-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1C 1838834537 JONOILMXVJSPQI-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc(O)n1 1839199885 YPORLHHQMREMFT-YOEHRIQHSA-N 446.273 0.856 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839242807 LETGSUMKPDHRMY-KPZWWZAWSA-N 443.342 0.809 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668473 UKBBXSOQGWZCOW-AUUYWEPGSA-N 442.900 0.425 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1840150313 IBYWCYZMRLTVOM-QOIOWGMHSA-N 446.928 0.286 50 20 ICGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187715 ROXDFVOBUNCQNS-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2sc(N)nc2C)C1 1842966982 JVAVZQNWLSZZIK-FSJBWODESA-N 429.506 0.985 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(-c3cnccn3)c2)C1 1844732646 FEDBUVBNFOKERF-UHFFFAOYSA-N 442.284 0.954 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845996555 NMRJSZMFPNQCCY-STQMWFEESA-N 428.917 0.458 50 20 ICGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 9711584 NQTRKBXHIKKTHL-UHFFFAOYSA-N 444.473 0.412 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C[C@@H]1C 28679772 DSQHKDQZAJCWLA-LBPRGKRZSA-N 441.473 0.583 50 20 ICGD CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 726272220 GDDGAWZGJQDLKZ-UHFFFAOYSA-N 442.476 0.209 50 20 ICGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 727853590 NKNOASHQVUYKFP-HXUWFJFHSA-N 447.495 0.701 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)C2CCN(c3ncccn3)CC2)c(N2CCOCC2)n1 728783341 LFRUAUBQLRGCCR-UHFFFAOYSA-N 445.915 0.706 50 20 ICGD C#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 728798010 WHEVTCMCZCMCNG-UHFFFAOYSA-N 442.497 0.478 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 729274858 FXXBVGXOFGBAJZ-GFCCVEGCSA-N 440.503 0.186 50 20 ICGD COc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s2)cc1OC 729275614 QBRRTLFBHKFMCG-JTQLQIEISA-N 442.519 0.834 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1 731344301 FTNLOQRLUHPGQZ-HNNXBMFYSA-N 437.497 0.956 50 20 ICGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741451069 KIHWOPPWHYMNQL-QGZVFWFLSA-N 443.547 0.781 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C 741647768 QNIRMMHOOHYWHT-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(F)cc1Br 742558674 FJSOYHUMQQRULR-RFHZTLPTSA-N 440.225 0.512 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F 746743645 IMIYVTVNVZSSPW-KRWDZBQOSA-N 439.398 0.781 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1nnc(O)c2ccccc12 747438437 VPMOSWONKPZBKE-UHFFFAOYSA-N 436.475 0.319 50 20 ICGD O=C(CCNC(=O)c1cc(F)ccc1Br)NNC(=O)C(=O)N1CCCC1 748240055 PPCNAYMFOWTAIS-UHFFFAOYSA-N 429.246 0.478 50 20 ICGD CCOC(=O)CN(CC(N)=O)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 749587606 VLTRDICQRVDAME-UHFFFAOYSA-N 427.461 0.534 50 20 ICGD CC(C)CONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 750461740 XQNMMTJBHIATCL-UHFFFAOYSA-N 428.511 0.558 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)NNC(=O)[C@H]1COc2ccccc2O1 755031510 CYZCPUUEEUGOMO-WMLDXEAASA-N 443.412 0.394 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 755286569 NUWYLVVHDBCESS-UHFFFAOYSA-N 429.458 0.598 50 20 ICGD CC(C)Oc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1 756275014 UEUUDNYXNMEELN-UHFFFAOYSA-N 447.427 0.213 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc(-n3cnnn3)ccc2F)c1 756336139 QZMIWJOYGMCOLI-UHFFFAOYSA-N 448.440 0.518 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 756908390 AXROIRSTHVEYFI-ZDUSSCGKSA-N 443.895 0.982 50 20 ICGD CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758029015 HWSPTJVOLXAMRZ-AUUYWEPGSA-N 448.545 0.608 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(NS(=O)(=O)c2cccs2)cc1O 758293500 ZROWWYMDGNGWHO-CYBMUJFWSA-N 427.460 0.431 50 20 ICGD CN(NC(=O)CS(=O)(=O)C1CCCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782333 QNQKYQFNDBKXRF-UHFFFAOYSA-N 432.543 0.980 50 20 ICGD O=C(NNC(=O)N1CCC(N2CCCCC2=O)CC1)c1csc(N2CCOCC2)n1 763540190 YNGMOHMYPJGLAT-UHFFFAOYSA-N 436.538 0.811 50 20 ICGD CCN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)=O 763572387 RBZXKIAGALUZSC-IBGZPJMESA-N 440.456 0.981 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1ccc(F)c(Cl)c1 763826436 ZVKCEBDZVJNWOW-UHFFFAOYSA-N 431.815 0.954 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763851822 VRUWJSILSVEDQO-ZDUSSCGKSA-N 446.435 0.846 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)c1=O 763898169 MLVDMXVKEWPILH-UHFFFAOYSA-N 446.485 0.598 50 20 ICGD CCC(C)(C)OCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 764231089 MHDHKSLBAOFCCI-ZDUSSCGKSA-N 442.538 0.724 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(F)cc1I 764294324 VXZGWWGBKFKDMM-UHFFFAOYSA-N 431.165 0.482 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764312870 ALDXJLWZHFGWIW-UHFFFAOYSA-N 434.449 0.595 50 20 ICGD COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764431231 AHMXNCCCBMOIGV-KRWDZBQOSA-N 448.476 0.213 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC 765387502 UMYAHEDVAFGRAH-SNVBAGLBSA-N 432.271 0.904 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)nc1 766662818 GNVJCBIIUOKMIG-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]nc1-c1cccnc1 768291355 QRNUIJHBNNDDDW-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191929 GVMDPYKBVSVRRQ-HUUCEWRRSA-N 434.880 0.669 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 772629136 AJAYCLZIUCJTEW-ZDUSSCGKSA-N 445.567 0.109 50 20 ICGD NC(=O)COc1ccccc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 776727668 KDRPSBSOFNULEE-UHFFFAOYSA-N 425.489 0.524 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 780317248 LZNZSKXIPYFQCB-IBGZPJMESA-N 438.506 0.960 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccnn2-c2ccncc2)nc1 783265623 WEGNAPNYWVYUFV-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)n(-c2ncccn2)n1 785067799 OLZPDXREULTVTQ-UHFFFAOYSA-N 447.459 0.762 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)n1 785227398 QDXFSPINNFLBML-UHFFFAOYSA-N 438.286 0.866 50 20 ICGD CN1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc2C1=O 787496541 WAIOTXRHZXJNRY-AWEZNQCLSA-N 430.324 0.682 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789810883 SHVBYSYCEALKHO-WMZOPIPTSA-N 426.429 0.209 50 20 ICGD CCCN(NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)C(=O)OC(C)(C)C 804594488 CJHZKRKSJOMBOD-UHFFFAOYSA-N 428.467 0.920 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccc(O)cc3)c3ccccc32)N1 806991142 NOPYLRPRTSEMMN-CABCVRRESA-N 438.440 0.189 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 812959013 XXRCCXKLCTXPCJ-MRXNPFEDSA-N 446.489 0.836 50 20 ICGD O=C(NCC1CC(F)(F)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 813771286 UPWLMAQHSFIMMM-UHFFFAOYSA-N 432.449 0.697 50 20 ICGD C[C@@H]1C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCCN1Cc1ccccc1 814785192 NNAWTBHCCHRFTJ-CQSZACIVSA-N 430.534 0.728 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)sc(C)c1CC 815691520 SHKAAMINVABOOU-NSHDSACASA-N 448.505 0.736 50 20 ICGD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692713 ZDTVDELEGJLPPA-SNVBAGLBSA-N 439.398 0.711 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(OC)c1OC 859238590 HKSHCZBIFKSTOZ-BHWMQLMCSA-N 429.429 0.281 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 897559208 TWSHRDTWLMLZRJ-UHFFFAOYSA-N 445.501 0.328 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1S(N)(=O)=O 913243530 OWJODXGMUPNPCK-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 915076899 WQHNDPMFDBBQQG-UHFFFAOYSA-N 430.442 0.217 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OC 916561641 BQXVITQKMGPWOW-UHFFFAOYSA-N 434.474 0.620 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1C 1318705989 PCWQTTQDAYUCSB-UHFFFAOYSA-N 432.506 0.970 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2C1 1343627345 JCSYEQCBHLOKNG-ZDUSSCGKSA-N 433.490 0.060 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778028059 HAHFGEQSYLPXPC-LSIMKLPESA-N 437.896 0.878 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)N1CCN(C)CC1 1780642073 KTKSGKIYEBLWRB-QMTMVMCOSA-N 435.396 0.940 50 20 ICGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783933965 PGZYPJOYIFQJEP-CTNGQTDRSA-N 425.574 0.212 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1783936891 KYRAKCLLKAYJKV-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937436 MAQKLQWSILEKCQ-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784138789 AJSRMKCLPPQUEB-KRKZJQHESA-N 445.520 0.501 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1sccc1F 1784743551 JDEYAHCPSHDJPQ-QRTARXTBSA-N 432.282 0.474 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785469789 LDVJZGXYKFCLIR-VBKZILBWSA-N 433.534 0.272 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785692413 ZIRGLOXQXLIVLB-RTWAWAEBSA-N 434.248 0.556 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(F)CCCC=C3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981921 GRZRXOJAXQKXAX-JVGYHMDPSA-N 448.275 0.705 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCC4)[C@H]2C1 1788356295 CJJWTQMGKYBHSO-IEZWGBDMSA-N 446.552 0.186 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc(Cl)n1 1789042204 DJSCDPKKROYQRP-PYJNHQTQSA-N 432.304 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21 1791290841 AHXNKBFOBHUMID-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290952 TVHAVHOMQSZNTR-UMGGQSCQSA-N 446.548 0.807 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(C3)C4)[C@H]2C1 1791828169 UVNCLJNEOMMWOC-DXWATMBWSA-N 427.505 0.900 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793096694 KVGNBVZWQTYCOA-OPMZPASUSA-N 439.321 0.147 50 20 ICGD CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1 1795739093 VOADWUNCBVVXQS-YHELAOLJSA-N 439.321 0.413 50 20 ICGD COc1cc(OC)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796188474 LJSIVFBSHMPSCJ-REPLKXPHSA-N 438.289 0.949 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]c2cccc(F)c12 1796192951 DEFFWOZHXQTXMU-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2[nH]ccc2s1 1797109231 KNRYURAFQHFZHX-HBCWATKFSA-N 439.302 0.426 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)nn1 1798752878 CHVMJZAJBITNCL-DRXBFXEBSA-N 427.299 0.864 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)c(F)cc1F 1799516588 TWKFOSPRVYAYTH-SLAYPKMVSA-N 442.438 0.680 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799776012 XVKKNPWLQWDEDW-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800640162 WXHZDMLDLKSHMV-BSTOTGJRSA-N 429.271 0.265 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800757896 VNVARZWBVXDLGI-NWBUJAPZSA-N 425.345 0.040 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801763477 BYGGCQNFEBGDDA-HCBXPFHNSA-N 441.532 0.890 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803135904 KGWQFAUTOAIEMW-DTZQCDIJSA-N 446.957 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803140150 YKERKXJNPQZXHI-KKUMJFAQSA-N 429.868 0.439 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805532952 NUQVDRZJCLAQIP-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncs2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365608 VWJDWJVUPNMLRT-APWZRJJASA-N 436.302 0.851 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3ncc(Cl)cn3)C2)CC1 1807896917 YPZPRAFNEQVVNC-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808246798 PHVPUUGOYILAKR-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808294654 BCPQWGMSTAHCKI-BFIPOCKSSA-N 444.363 0.917 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)cc21 1814869599 USUJCBCPTFGPHN-GXTWGEPZSA-N 435.872 0.255 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474081 LPDNDZRJZVPTQR-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1819520114 WHNXPSBJCCQIOO-WUTCKBNWSA-N 443.595 0.587 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824398383 SFFVOHJZRYXHAN-UZLBHIALSA-N 443.353 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@](C)(O)CC(=O)O)sc2C1 1826076830 FQIJNAFLTQMYJC-YMNVWFMLSA-N 433.914 0.925 50 20 ICGD CCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080801 ZZTZVSGYYXRYHE-LBPRGKRZSA-N 433.538 0.958 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046464 ICRBFYAKMKIDQQ-LSDHHAIUSA-N 436.900 0.251 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1829851067 OLRCIMLNXUCYGW-RHSMWYFYSA-N 434.331 0.143 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1830540634 QZZUOMGRYKLLHF-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722382 AUGPJMFHSSRLDX-BEFAXECRSA-N 444.937 0.743 50 20 ICGD O=C(c1cccc2cnccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731576 MKAAACICBZNLBP-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc21 1830735989 OUAQUPNGHGAXKV-NQIIRXRSSA-N 436.892 0.485 50 20 ICGD O=C(CCC1CCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831069744 PONWYNKCOAGSKK-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)[nH]1 1831840622 DFRFZPAPSSKWRU-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1)[C@@H](O)CCl 1833312966 NVYAQDBLBOODNX-AWEZNQCLSA-N 430.962 0.068 50 20 ICGD O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834897400 OBVJBSFYWRJKDR-HNNXBMFYSA-N 431.310 0.540 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1835056594 GXIQZGGCTGHCHM-QGZVFWFLSA-N 441.649 0.856 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836837417 RYIRVYZLJXFNEM-GHTZIAJQSA-N 448.907 0.608 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837180207 UEVXSZRKZNFCLR-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715948 STUOHRPCRZNKID-XATQLNLPSA-N 427.574 0.334 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840152779 STDQDKWOASMOEB-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841134776 JGGQFGROHOSWPP-UHFFFAOYSA-N 447.448 0.608 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014611 FYRUDYXOUCOMAS-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc2NC1=O 1844728609 KXOFWQZDLSBCHF-CQSZACIVSA-N 449.272 0.217 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC 18995904 NUKXYHNNEIHNTF-UHFFFAOYSA-N 443.503 0.755 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)sc1C(=O)O 107513892 SENVMOMLFRNQGT-UHFFFAOYSA-N 446.532 0.980 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 728945729 HENNWEOERDIILP-QGZVFWFLSA-N 447.517 0.612 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)N[C@@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 730129739 CKOSZJACADLACD-HNNXBMFYSA-N 429.525 0.557 50 20 ICGD COc1cc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1OCC(N)=O 730548865 MXMDXELVWJQUSF-UHFFFAOYSA-N 439.428 0.579 50 20 ICGD CCOCC(=O)NNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 731282910 XWQYILYODAYYOC-UHFFFAOYSA-N 431.472 0.809 50 20 ICGD CC[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 732001761 XGTWYVWCMVYBHL-GOSISDBHSA-N 444.513 0.762 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H](C)O1 732262617 UZDNISKVMASBEO-TXEJJXNPSA-N 445.314 0.761 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 732468653 ZNAXUEVTAJSBPV-UHFFFAOYSA-N 440.435 0.837 50 20 ICGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732959322 VUYNJGZSMVEZSF-AWEZNQCLSA-N 429.455 0.115 50 20 ICGD CCN(C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)[C@H](C)CS(=O)(=O)CC 733347172 PAFHSCXIXBWFCU-CQSZACIVSA-N 426.543 0.579 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c2c(C)n[nH]c2n1 735117358 SHWOWZPSLLPRQE-UHFFFAOYSA-N 444.521 0.663 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-n3cccn3)ccn2)cc1OC 736851761 CFRXLRGTIMATML-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COCCOC[C@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745863012 ARXDZCYKSFLDJC-AWEZNQCLSA-N 428.511 0.467 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)n1 745883318 OCDLSMFRVVGMHC-GFCCVEGCSA-N 431.409 0.233 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N1C(=O)c2ccccc2C1=O 746090826 UYJCYMQVWIVANQ-SFHVURJKSA-N 445.435 0.926 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 746300231 AJWBQYMYIWRYCE-JTQLQIEISA-N 439.881 0.821 50 20 ICGD O=C(CCN1C(=O)COc2cc(Br)ccc21)NNC(=O)C(=O)N1CCCC1 748240203 BWVTYJAUJJUYJY-UHFFFAOYSA-N 439.266 0.334 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 749011388 KHIJATUNYYIEHJ-UHFFFAOYSA-N 433.489 0.344 50 20 ICGD COc1cc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 749716026 YYFCVPWRADPXCN-UHFFFAOYSA-N 439.446 0.200 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 754833054 RIXIVZLKYRCCPK-INIZCTEOSA-N 445.476 0.600 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)c1=O 757863008 MQWBVWKTKIPOGP-UHFFFAOYSA-N 434.416 0.929 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc([N+](=O)[O-])c1F 757925446 HTBRNWHMHIJTTH-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 760279372 NLMJUKBRVAKAHE-OAHLLOKOSA-N 437.416 0.205 50 20 ICGD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 763421149 LKVBEAYGIOAHOP-VIFPVBQESA-N 425.872 0.026 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763759257 YMQKJXDMEWTJMN-UHFFFAOYSA-N 441.444 0.055 50 20 ICGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763785572 IQJKFQJSEIJMID-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 763865080 ILUGRTRHYVJJKY-UHFFFAOYSA-N 436.472 0.997 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N(C)C3CCN(C)CC3)cc2)n1 763890779 GFXKIOVPCWXJOO-UHFFFAOYSA-N 441.536 0.816 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c2ccccc21 763975176 HRTNMENWICYDDV-UHFFFAOYSA-N 433.421 0.365 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 764001940 HEAOKFMVCKLTRT-AWEZNQCLSA-N 441.469 0.522 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002430 MHUXETLTQYKYJA-ZDUSSCGKSA-N 439.490 0.091 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 764164856 UMXZUBJXCCBZJX-CQSZACIVSA-N 439.396 0.773 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1C 764170150 ZWTCYXZLFLZHDL-KRWDZBQOSA-N 446.485 0.846 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cccc(C#N)c1 764236100 VQUYCZUJYOYNAU-UHFFFAOYSA-N 441.469 0.159 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cncnc2N(C)C)cc1Br 764325942 BKZASSUKOVFSKQ-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)c2cnn(C)c2)C1 764358293 IVKZTCHXRXBVOU-KBPBESRZSA-N 426.477 0.938 50 20 ICGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764519393 RIQLGQMYKNSPGD-GOSISDBHSA-N 432.594 0.424 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cs1 767056999 ZUCLVJOCWKIDIU-ZDUSSCGKSA-N 440.455 0.296 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 771940888 RJZULCJOBFTEIV-ASSNKEHSSA-N 430.461 0.505 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccc(N2CCOCC2)cn1 772438569 RMBDWPYYIHPEIL-UHFFFAOYSA-N 426.481 0.778 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H](O)Cc1ccccc1Cl 773390572 KBEPTDJPGAECQZ-IBGZPJMESA-N 444.919 0.849 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)nc1 775455607 WQBCIXASZISVRR-GXTWGEPZSA-N 428.515 0.030 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c1 776720781 HKUFNRSGZYLZAN-INIZCTEOSA-N 444.469 0.464 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1c(F)cc(Br)cc1F 784005079 YZNYTFSDHMJAMB-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 785331783 ZZUXYLOEWIZOGO-UHFFFAOYSA-N 448.436 0.900 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)=NN1c1ccccc1 794063719 JWEHHBZAMHJKSL-QGZVFWFLSA-N 438.444 0.180 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccnc12 794075611 OBBKGPHKASQNPE-UHFFFAOYSA-N 440.416 0.593 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1[N+](=O)[O-] 794598669 LYMYOXONPDRXLD-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 797003620 DYMZELOZIJQMJJ-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)C(=O)Nc3ccc(C)cc3)cc2S1(=O)=O 801109818 DPWTVOKWKPJQGP-UHFFFAOYSA-N 430.442 0.559 50 20 ICGD COc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1F 802346657 HCZVBZSIEVIGGS-GFCCVEGCSA-N 430.396 0.691 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)N1 806972008 CIBTVRRYIGBFOI-UHFFFAOYSA-N 433.764 0.979 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 807737656 NEBVTUNSZXWXPG-KBPBESRZSA-N 432.389 0.074 50 20 ICGD CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 810389635 KHLIFKJMAFUMAN-LBPRGKRZSA-N 434.218 0.488 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(-n2c(C)cnc2O)cc1 814784303 BGUGPNHNIAWDBN-UHFFFAOYSA-N 443.489 0.311 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)c(Br)c1 815691264 KFLKICZADHNSJF-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD CCCCCn1nc(C(=O)NNS(=O)(=O)N=S(C)(C)=O)c2ccccc2c1=O 821128115 SDKZLHIWXXRXSW-UHFFFAOYSA-N 429.524 0.794 50 20 ICGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 857432011 VTTKAYIYIANCBX-UHFFFAOYSA-N 434.504 0.944 50 20 ICGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)COc1ccc(Br)cc1 888277028 VIMUMYBDTWMRDX-ZDUSSCGKSA-N 434.312 0.789 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1ccc(S(=O)(=O)NC)s1 916231902 AMELSUUSEYIAJV-UHFFFAOYSA-N 442.519 0.964 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 918548637 HSNHRUURZCSRTN-CYBMUJFWSA-N 445.567 0.111 50 20 ICGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1345367263 JXFITBBTGBYTFE-ZDUSSCGKSA-N 430.490 0.409 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1779037121 OTTNCWYQFUGFKF-YEOLMYPVSA-N 429.502 0.004 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781202017 SUSTVHXWURKBQW-KSSFIOAISA-N 437.896 0.892 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@@H]21)[C@H](O)CCl 1784085145 CLQYNRCWDYSCFC-XWJBARJFSA-N 441.956 0.357 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3-c3ccncc3)C[C@@H]21)[C@@H](O)CCl 1784086489 MNLHUPSHFVUJJE-IKICRFKJSA-N 433.896 0.460 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1786407223 LBSUBBPGUXDGLW-XDQVBPFNSA-N 437.356 0.328 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589444 DBTKAYDEWWXELP-VOAKCMCISA-N 443.298 0.324 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1790962304 YWGZRECYKJZVQI-AJNGGQMLSA-N 432.359 0.912 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3[nH]ccc3s1)C2)c1cccc(B(O)O)c1 1795738762 DZVAZBMKILRGDX-HBCWATKFSA-N 439.302 0.426 50 20 ICGD O=C(Cn1cnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192158 PCTIGUKJLQOTIN-REPLKXPHSA-N 432.289 0.668 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685321 TUTHEABDYCIBID-YOADBGGHSA-N 442.436 0.704 50 20 ICGD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802126685 MLRKJOWLHVLUIA-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802213423 BGIYQONDZGDJOJ-ZZXMYQEDSA-N 428.480 0.695 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1 1805476831 PWPPFGAZLVSRGU-PZJWPPBQSA-N 430.273 0.790 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806380810 OGPYNJIIVZKDDP-HRAATJIYSA-N 433.509 0.414 50 20 ICGD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366186 XPULUNLXWCFQLK-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371204 RCGLTTOVKLZYLZ-DYESRHJHSA-N 447.256 0.348 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373735 FKSMKXPTXPJVDP-WDSOQIARSA-N 445.712 0.335 50 20 ICGD C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305917 QISYAYQTFQNWPX-DXCKQFNASA-N 428.518 0.718 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CC(O)C1)CC2 1817276212 PPWFPGNLDUXHCU-HSCUMNNISA-N 444.517 0.960 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1 1819400950 YUCXFGHEZQWVCX-KRWDZBQOSA-N 440.508 0.810 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793051 JJYQOUWSLFESMJ-LYOVBCGYSA-N 446.533 0.774 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049060 IICATQRQRLCDFM-UZLBHIALSA-N 443.353 0.514 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1827053084 BIQNDBLMHFHFNP-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054560 GZJYUZSAEXDIOE-XTXLJPNXSA-N 442.321 0.719 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1830332278 ZWRPKRJEIMKREA-RKVPGOIHSA-N 448.358 0.531 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)CCO2 1830413717 IYFOSTZIAVBRCN-XKGFGPFHSA-N 440.899 0.985 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735979 OHYCUSSANOGMJG-KXBFYZLASA-N 440.859 0.143 50 20 ICGD O=C(c1cccc2nscc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736598 UDDIIUCIPMSIBE-QFBILLFUSA-N 439.921 0.966 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832117219 PAOJMMNEPONWNG-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1834843818 LWLYQEXAVVODKQ-WIYYLYMNSA-N 440.924 0.684 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835098088 AACSLNKEIUTHGM-ZDUSSCGKSA-N 428.877 0.103 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc(Cl)nn1 1835881625 XAXDKMVUBIPSAD-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1838082845 PEHJUXZAUSFPAT-INIZCTEOSA-N 441.891 0.832 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200687 PJXOUGPWZUTDKS-HMLAQHDKSA-N 446.273 0.845 50 20 ICGD O=C(c1ccncc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200791 NGBYMYXZBUREIR-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839965540 BLTKQRYVJSGYQH-YJBOKZPZSA-N 442.310 0.564 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840032398 XTAVTTYPKJLDJP-KDOFPFPSSA-N 443.342 0.593 50 20 ICGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCCCC1 1840123208 STSOUPOQHSEYKO-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840152705 QGKUGJKTSWTVKI-BEFAXECRSA-N 427.885 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1840156568 VGUGMTASQPQGSH-YLJYHZDGSA-N 442.944 0.600 50 20 ICGD C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1)C(=O)O 1840835878 MCYNBBCXBVSXIG-ZVDLLJIASA-N 433.299 0.505 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014742 WVMPKDQXCPLKKF-UHFFFAOYSA-N 432.245 0.146 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843083049 DZXLMKIQVKQQEG-LBPRGKRZSA-N 427.893 0.009 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416304 UVVXGBOTZZVGLJ-NYATXJBFSA-N 431.497 0.031 50 20 ICGD CCOc1cnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844263787 VTHOTNPMUQEYLD-UHFFFAOYSA-N 425.449 0.005 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844817601 QRHJXDMQMYOMSY-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(-c3ccccc3)n2)cc1 17406601 AYELJRKOZYITNS-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNc2ccccc2OC)cc1 108518226 GPRNWPDEQPVXMS-ZDUSSCGKSA-N 436.490 0.630 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 726522736 SPBGLEQCLMYUAU-HNNXBMFYSA-N 436.877 0.726 50 20 ICGD COCCOCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 728751753 AVRIXLRUTFRGQJ-UHFFFAOYSA-N 428.511 0.468 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3cnn[nH]3)ccc2Cl)C[C@@H](C)O1 729455853 CYSWIMUHIFTCOD-AOOOYVTPSA-N 442.885 0.331 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)c2scnc2C)CC1 729511058 PWMAPZXAQJSQND-UHFFFAOYSA-N 440.526 0.913 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H](c1ccccc1)N1CCOCC1 730570314 HGRAGNAJSXOBDA-QGZVFWFLSA-N 446.533 0.137 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cnn(-c2ccccc2)c1 733106848 NHXOKHRBNACRMD-UHFFFAOYSA-N 432.448 0.383 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cnn(C)c1 735472711 AESLQMKDFJZXKI-SOGBHIHOSA-N 437.547 0.893 50 20 ICGD COc1ccc(C(=O)NNc2ccnc(N(C)C)n2)cc1S(=O)(=O)N1CCOCC1 740103129 WFMDUKRZBNFLGT-UHFFFAOYSA-N 436.494 0.329 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 744589737 LBPVTCZWXDWRAB-UHFFFAOYSA-N 439.359 0.518 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 746008330 NDWLOCKKHMAVAV-UHFFFAOYSA-N 425.294 0.930 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccc(Cl)cc1F 747330022 PIWODOSNLZAJJF-INIZCTEOSA-N 426.876 0.953 50 20 ICGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)c2ccc(Br)cc2C1=O 748240276 DSGDZGKGRRATJH-VIFPVBQESA-N 437.250 0.203 50 20 ICGD COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748247598 RXADCTRHUAVCOG-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)o1 754138421 UYKYKUGPJHLRLA-UHFFFAOYSA-N 429.838 0.600 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757796912 NTLLIXMFQHAXQN-RDTXWAMCSA-N 435.550 0.898 50 20 ICGD COc1cccc(C(=O)NNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O 757872513 CALXMMAZTZJIQC-ZDUSSCGKSA-N 436.465 0.678 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 759166082 ZVXSLEYUUWGFNQ-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1 760976319 UFELUFMVTSUOCZ-YOEHRIQHSA-N 431.493 0.933 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c1 763639596 IXSPEDRTDUGGQM-UHFFFAOYSA-N 426.351 0.877 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1-n1nnnc1C 763680697 VMQKFUZWMMOCJN-UHFFFAOYSA-N 443.395 0.283 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)ccc1-n1cnnn1 763683910 CNHGQTZAZVDNCC-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763866121 UAKYXWHGTCAUAS-LBPRGKRZSA-N 432.408 0.504 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1ccccc1F 763917562 XREHURZGOHETTD-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 764297703 VMUQMFSUYREABV-UHFFFAOYSA-N 440.382 0.594 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 764424621 KBUPVRNSBJKFSD-LBPRGKRZSA-N 427.339 0.392 50 20 ICGD CC(C)CC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 764729438 OPTCWRSQDLEQTI-UHFFFAOYSA-N 442.513 0.632 50 20 ICGD Cc1[nH]nc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 766662745 DXCVNBKCERRTSF-UHFFFAOYSA-N 435.872 0.859 50 20 ICGD C#CCN1CCC(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 766664916 XPOOCAONKHGASQ-UHFFFAOYSA-N 431.968 0.950 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 767937183 GQRNFHSAYFPWLO-QZTJIDSGSA-N 428.497 0.374 50 20 ICGD N#Cc1ncn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 769042446 TXPVCZIRIMDMTH-UHFFFAOYSA-N 439.457 0.089 50 20 ICGD C[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1Cl 778441105 JEROIPLFDWWHDC-SNVBAGLBSA-N 449.917 0.464 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)c(O)c3)CC2)cc1 779531183 BXHOYYKSLVYPIZ-UHFFFAOYSA-N 446.529 0.777 50 20 ICGD COCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 780186698 NOZZJSHDPFWCLM-UHFFFAOYSA-N 425.507 0.866 50 20 ICGD COc1ccccc1COc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1C 782966156 LPADARINUKBPDJ-UHFFFAOYSA-N 440.456 0.947 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 784842717 VWSYUADIOMSFLP-JLPGSUDCSA-N 446.489 0.985 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(OC)c1 785067802 OQARXNVZRTVDJZ-UHFFFAOYSA-N 425.401 0.458 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 785700934 XJTJLKARVCMOGD-UHFFFAOYSA-N 428.467 0.597 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C2 792921397 KVUHDATYOHGUJG-UHFFFAOYSA-N 427.486 0.286 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(F)c1 794576822 NSJXMGWCYOLGFA-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CSc2nnnn2CC(F)(F)F)cc1 794721936 SLKTVOXHOFPIEE-UHFFFAOYSA-N 439.445 0.721 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794722249 UPAZAACVERXKOI-AWEZNQCLSA-N 444.510 0.836 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 794868186 SBRDATRLZZGQCY-UHFFFAOYSA-N 445.441 0.594 50 20 ICGD O=C(COC(=O)C1CCC(NC(=O)C2CC2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 795955711 LNZMJGBGAIMMSH-JTTJXQCZSA-N 445.472 0.602 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 798420588 UOPHOQJSAZTUCV-HNNXBMFYSA-N 430.486 0.939 50 20 ICGD C[C@H](Sc1ccccc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(N)=O 801103272 CLKVVGOHDGEGFN-NSHDSACASA-N 425.470 0.974 50 20 ICGD COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 805068914 UMBVYBJCHKGWKB-KRWDZBQOSA-N 444.414 0.861 50 20 ICGD C[C@]1(NNC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCS(=O)(=O)C1 807221553 CYEREBGDEZDBCR-AWEZNQCLSA-N 443.469 0.990 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902781 XBIJAQIVABYWDW-SECBINFHSA-N 437.881 0.406 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 812731161 BOLJACUOOVSTRI-UHFFFAOYSA-N 426.520 0.944 50 20 ICGD Cn1cc(Br)c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1 814599545 IYCXMJIRYWKLOO-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 871003821 CMFWYCRQORUTQP-BHWMQLMCSA-N 448.273 0.782 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)ccc1Cl 914750161 XIOGEDRSLILOOZ-QMMMGPOBSA-N 442.803 0.159 50 20 ICGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915905379 ODFWLKKUFCYVJV-UHFFFAOYSA-N 425.511 0.187 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CN2CCCC2=O)c1 918100271 TWKOVCGWQKLMHZ-CQSZACIVSA-N 439.538 0.672 50 20 ICGD CCOc1c(Br)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 919743091 BEZQCHSLOKHDGC-MRVPVSSYSA-N 438.300 0.555 50 20 ICGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1 921295303 IWAYYQJNGZGSKC-UHFFFAOYSA-N 440.272 0.943 50 20 ICGD CN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 1319188585 WFXRKKOHEJIZMP-UHFFFAOYSA-N 425.488 0.415 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783349200 JOVCWOYLGDPFKY-GRDNDAEWSA-N 434.331 0.141 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783534556 LGPICINQOXBFOS-XUWXXGDYSA-N 425.327 0.565 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CCO2 1783937683 NBPXZAMJPBYQBM-MSYCTHLASA-N 428.533 0.993 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CC(=O)N(C2CCCC2)C1 1784965896 YZCHHYHHOPKSCW-XWJBARJFSA-N 441.956 0.357 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)C1 1785729011 XGFRUMALEUMSOI-NJSLBKSFSA-N 449.907 0.987 50 20 ICGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791694537 DSYUWAMMBOXPAZ-TZQJONAQSA-N 430.274 0.878 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795429309 VQLZHRQMYVDADX-ODRBZYGGSA-N 444.536 0.196 50 20 ICGD Cc1cccc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)n[nH]c12 1795740737 KUMXUZRYMUHANO-CWPLJXCYSA-N 448.288 0.068 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192416 IZVCTWQOQWRREP-KQLYMOGASA-N 449.316 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1 1796816437 CYRKWWARMTUFDO-IYWMVGAKSA-N 427.549 0.712 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797038977 GYZMXXANAPSUEE-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1797830970 NOLJDHHVOYNJQT-KOUNCHBCSA-N 449.316 0.819 50 20 ICGD O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797887602 AWYBUOKBMOBDSZ-JJLQDPRZSA-N 425.283 0.395 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)(C)C 1798439667 VARXEYKXHHTJQD-BASYENTBSA-N 444.536 0.488 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(O)cc1 1799301209 PCYSPNZDKOOHCI-WGVRVLLMSA-N 432.521 0.458 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)CCO2)c1cccc(B(O)O)c1 1801852197 KYLKIJCTSVPNSA-WKCHPHFGSA-N 434.301 0.796 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803232081 JQTATIXBVFASBR-RLLQIKCJSA-N 425.294 0.098 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369500 MJLMBLGFNQBGIU-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807369709 SBYPLSMPYQRLAY-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)nc1 1807677176 NLHKACNQTQXONR-INIZCTEOSA-N 443.953 0.930 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1810299837 UHJMIBZYNFHHEY-KXBFYZLASA-N 448.487 0.447 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811458502 DOYJLLQJQXLFKN-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067888 HEUVXWPKORUQRM-GCJKJVERSA-N 446.552 0.329 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)c1cccc(B(O)O)c1 1817473092 FERRCVWUKSIZHC-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476757 ZZCSBVCIIOACHP-QZTJIDSGSA-N 440.309 0.969 50 20 ICGD CC[C@H](NC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795259 LLNSDCMBINLOMF-GWCFXTLKSA-N 431.522 0.365 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825447370 WYWNTVOUXZNINO-GUBZILKMSA-N 446.371 0.821 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1830546916 XKDVCVIPDXZHSG-RDTXWAMCSA-N 433.343 0.779 50 20 ICGD NC[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1ccccc1 1833310575 NNJSKVYBVZUBEA-UXHICEINSA-N 436.984 0.900 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313913 SRSXLKORZKDRSY-SFHVURJKSA-N 436.940 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833365812 HBARFRPXTDATEI-XLIONFOSSA-N 440.928 0.471 50 20 ICGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1834351205 LAASRGJWHCQEKU-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835927848 YVLAFPGZBAUJOQ-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1836148156 PJWVCSRTGUJVOY-UHFFFAOYSA-N 433.557 0.276 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837679140 FLTBHQVOLDYIRC-LBTNJELSSA-N 448.358 0.531 50 20 ICGD O=C(Cn1cnnn1)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1837967900 BHICVONBJOLNRT-CQSZACIVSA-N 433.282 0.362 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(O)n1 1839200115 FRAVKXRMZRBMGW-GUYCJALGSA-N 446.273 0.856 50 20 ICGD Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C1)CCC2 1839583881 AXXORHUZNNPVJW-GOSISDBHSA-N 431.320 0.783 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840033621 LOQXDIAZJPBXDQ-SCLBCKFNSA-N 441.326 0.683 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840034848 YYWAGQVMGZLBRH-ZBEGNZNMSA-N 432.271 0.020 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840037386 ZCIWEZVNQYRUBJ-KDOFPFPSSA-N 446.342 0.239 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840852503 PEILYDJZSCCOCR-MAUKXSAKSA-N 448.358 0.533 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843417352 YUFYWXIVQQJGQI-OEAKJJBVSA-N 431.493 0.913 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845310250 AIMBDNIKVAVQNT-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCNC(=O)C1 1848098514 IZWCCKBFWYSLRP-AJNGGQMLSA-N 442.944 0.847 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)c2cccs2)c1=O 16364930 BAVVZKMGKPNRJO-UHFFFAOYSA-N 430.442 0.249 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 23370339 JBVUALAFDGSQDE-CALCHBBNSA-N 433.528 0.709 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 726537109 JQYSAXYZQCVRGZ-KAKTVLCNSA-N 436.472 0.688 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728335398 PWELVRMUDIWWFL-CQSZACIVSA-N 437.449 0.820 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 731502537 KRYZIGPMTZZVQW-UHFFFAOYSA-N 426.477 0.936 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1C[C@H]1CCCO1 732157505 VRKUCNDLEWDNGU-NNVROAHOSA-N 443.548 0.756 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 732198749 DHORCBNJROPHEX-HOTGVXAUSA-N 439.557 0.724 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN(C)CC(F)(F)F)cc1 732704577 ZSEJCKMNJZFYJL-UHFFFAOYSA-N 439.460 0.440 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)c2ccccc2c1=O 742034662 MZHOCSBESYAOES-UHFFFAOYSA-N 437.522 0.676 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ncnc4[nH]cnc34)CC2)cc1 743471564 ONYOIJOORRVJNP-UHFFFAOYSA-N 431.478 0.906 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCN2CCCS2(=O)=O)cc1Cl 743573290 QHFQIZDLBNIPKV-UHFFFAOYSA-N 435.890 0.728 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)[C@@H]1COCCO1 744642619 RJXSGJZHWFYOSY-KBPBESRZSA-N 426.451 0.009 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 747175417 VVEVOITXOSVRJD-UHFFFAOYSA-N 429.458 0.117 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3cccc([N+](=O)[O-])c3)n[nH]c2n1 747999851 COJMEIKRSREHQD-UHFFFAOYSA-N 432.470 0.948 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CC3CCCC3)c2)CC1 749952064 UVLLTYKVGUZDNL-UHFFFAOYSA-N 436.534 0.881 50 20 ICGD C[C@@]1(NNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCS(=O)(=O)C1 750334806 IKWUCRFLOKYUON-GOSISDBHSA-N 443.957 0.370 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1C[C@H](C)O[C@H](C)C1 751292840 BEMBIYCCDQTSAB-BFQNTYOBSA-N 446.957 0.882 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccccc1 753842231 ZYFIKPDWTOXAJQ-LBPRGKRZSA-N 436.494 0.019 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 758384964 VLODPGFRZZFXAO-OAHLLOKOSA-N 448.480 0.317 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@@]12CCCO2 759211552 LVUBAPQYSAZSAB-KSMMKXTCSA-N 439.538 0.959 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 763467751 SWWXIOKBKRLLJT-GOSISDBHSA-N 437.456 0.649 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)cc1OC 763550402 FIXGJXSODJFQTK-UHFFFAOYSA-N 430.417 0.737 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763812535 GTWSQKRSPKQJKB-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 763877221 IMEVLXKVZYCHOL-ZDUSSCGKSA-N 447.469 0.846 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 763901075 FJOZNVCNUNERLK-UHFFFAOYSA-N 449.427 0.946 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 763957804 KEMQSCQPDIXKNW-UHFFFAOYSA-N 434.474 0.319 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2NC1=O 764006049 JFSCYYKXQKZIHM-JTQLQIEISA-N 426.385 0.577 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 764424308 HZDWLQPXICCHGF-BJLXPSRBSA-N 437.518 0.769 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cccc1-c1nnc2n1CCCCC2 764431562 DGLDOERBHVANEC-INIZCTEOSA-N 442.476 0.481 50 20 ICGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 764583886 CJYUFQLZWRQAKQ-UHFFFAOYSA-N 447.517 0.647 50 20 ICGD Cc1nn2cc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cnc2c1Cl 766321584 QWMKGDXKZPGOKS-UHFFFAOYSA-N 443.894 0.718 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc([N+](=O)[O-])c2O)CC1 769106999 UWPPMQBXXUYVSQ-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 769146994 NYVAJTQPMHBXKF-CYBMUJFWSA-N 426.495 0.946 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccccc1[N+](=O)[O-] 773648927 XQVBNZLZIZUAPS-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c(OC)c1 782121396 XEXYHCBGINWKTO-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2-n2cncn2)nc1 783264411 OYFKIQRPTIAPKS-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 784004739 RSRODTSMJJRZQJ-UHFFFAOYSA-N 437.412 0.006 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1nn(-c2ccccc2)cc1O 784765142 NMHFSJUMWXWCAI-IRXDYDNUSA-N 439.472 0.780 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 786725892 YVRRBWRNCPTCAU-GHMZBOCLSA-N 440.927 0.498 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nnc(-c2ccccn2)s1 788566967 PFQZQCYLALJZQY-SNVBAGLBSA-N 447.502 0.509 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790960271 XSYAMORHSWHWNT-KBPBESRZSA-N 425.445 0.784 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cn1 794590247 OCNPDPCMQKCCFH-UHFFFAOYSA-N 434.293 0.871 50 20 ICGD C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 801171861 KSQCMHFUGYVFDX-DEOSSOPVSA-N 438.528 0.976 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1nc2c(s1)CSCC2 807005825 FJIDKTMBEZTWPG-UHFFFAOYSA-N 425.517 0.510 50 20 ICGD C=C[C@@](C)(O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 809933877 YPBZUFGEISZVJI-LJQANCHMSA-N 425.507 0.115 50 20 ICGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)C1 815691126 FWUPAMMIHOWXMO-RDJZCZTQSA-N 439.520 0.859 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 912919629 QSQLKEFDZUHZOF-OWCLPIDISA-N 446.504 0.457 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NC(C)=O)c1 913127425 VZSMDJMIXGJIKU-GFCCVEGCSA-N 434.474 0.782 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nnn1-c1cccc([N+](=O)[O-])c1 915077169 HFTYAVRVSPKCIA-UHFFFAOYSA-N 444.429 0.962 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 920006871 YRCSSBNZVPBXLN-OAHLLOKOSA-N 432.864 0.713 50 20 ICGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)NCc2ccco2)cc1 920855892 NOFBZFJKZSPULD-UHFFFAOYSA-N 428.492 0.570 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)no1 1779122770 JLROHSWYKSUOGD-MSOLQXFVSA-N 447.319 0.779 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 1779371165 KDYWXYUVJIKOSL-UVELEOGVSA-N 441.532 0.859 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780954273 WRJJNRBCWPKXRS-ACJLOTCBSA-N 436.310 0.885 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782140689 QZKFOWJZNYLONN-VQPPSCEASA-N 430.310 0.109 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1S)C2 1782210289 NFHNWYOOGJAVLG-IIBYNOLFSA-N 449.577 0.871 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1783873803 UROGOKVQLUBJIB-RDTXWAMCSA-N 445.925 0.182 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937753 XGJVFWOPBOJSLF-UWJYYQICSA-N 425.574 0.167 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784685228 LTHSRTFLDAFCRC-LYSGITKLSA-N 441.318 0.288 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc(C)c1O 1784993223 AWNCSDGKUDRDKT-QHCPKHFHSA-N 438.289 0.446 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785025661 PHDHIEBWPDSCAD-NRFANRHFSA-N 436.484 0.651 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C[C@@H]21 1788609989 JXNWILBYORFOKS-LNMJFAINSA-N 427.505 0.635 50 20 ICGD N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788610213 PEEXNVTUNQMHQQ-VDGAXYAQSA-N 448.483 0.464 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610509 CRHVCJONDKYWKS-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791616441 CKXRKBLLEVBQIH-QTVXIADOSA-N 428.331 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(F)(F)C1 1792435133 UKNFPQAQONNQHX-NFFDBFGFSA-N 437.447 0.324 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)c(O)c1)C2)[C@H](O)CCl 1792980434 OPXGYROHGHWXIO-BAESOJJISA-N 447.713 0.958 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)no1 1794777794 XZQUBEAUVVQHBW-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD CC(C)c1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)no1 1796189806 CLXFDZHLIWWQPD-BJWYYQGGSA-N 426.282 0.367 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796367785 VOZHJOOUAVFDEM-XVIXHAIJSA-N 437.896 0.386 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ocnc1C)C2 1796441008 JRTZJXGTRSSILV-QQGSHNGGSA-N 428.449 0.320 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1800760547 RDNXFGNGGRVQKU-KQXIARHKSA-N 426.267 0.797 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc(O)n3c1CCCC3)C2 1802337237 LZRGTCVJJRELJI-QDMKHBRRSA-N 432.525 0.550 50 20 ICGD O=C(CN1C(=O)CNC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804094648 KEVMKFQYVQHVME-RISCZKNCSA-N 428.276 0.443 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(F)cn1 1805980710 WNRHKYAIVUSLSA-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CCC=CO1 1810258056 JUKRWROFLYYPFS-JBACZVJFSA-N 435.289 0.774 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1 1810302967 NYUFDHKXNGDPIJ-UZLBHIALSA-N 448.487 0.296 50 20 ICGD O=C(/C=C/c1cnccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347678 KAVZKWGANKRREH-PMGBHYCQSA-N 449.301 0.552 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1815599867 VFNGMUYIDFJZSJ-TVQRCGJNSA-N 445.249 0.644 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncnc2)[nH]n1)c1ccc(B(O)O)cc1 1817471479 PCJBLIJEZMKFEH-IBGZPJMESA-N 448.292 0.818 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1cccc(B(O)O)c1 1817479369 LVLGCPFFLKDEHR-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1820163952 JZOVPJLQCLLBEH-CQSZACIVSA-N 447.404 0.860 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821043196 NTQMUSXHKAOXDI-RKDXNWHRSA-N 438.897 0.512 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412606 SBLLBZVGNLYBJJ-ZBFHGGJFSA-N 435.529 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1 1822414666 KCZSZRPKSQBFHV-CQSZACIVSA-N 430.469 0.584 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885772 OKQOQHJCVSTDIM-KXBFYZLASA-N 446.386 0.816 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1830353882 LFEVURQJJKXGBM-LJQANCHMSA-N 434.002 0.757 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830545149 GPCBOTSEUAAYPI-WMLDXEAASA-N 444.330 0.156 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1830546670 VIDUTMNWLQJKAB-IIDMSEBBSA-N 433.343 0.900 50 20 ICGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728186 QBRSBNDHCFQNMF-LIRRHRJNSA-N 426.853 0.085 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc21 1830735988 OUAQUPNGHGAXKV-GHTZIAJQSA-N 436.892 0.485 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831654499 UCSOTTLILFXGKS-OXQOHEQNSA-N 440.928 0.979 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831877298 ZSGMXLXGDXSDGU-CZUORRHYSA-N 433.278 0.489 50 20 ICGD O=C(CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCCC1 1832426499 VOSMRYJWAVYYAK-SFHVURJKSA-N 436.336 0.649 50 20 ICGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cc1O 1833409832 NYILHPMZFGPVOI-DLBZAZTESA-N 435.308 0.432 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834390892 IIQIKTSTLIAMHL-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819263 MPWWYDZPCPFYLA-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834819459 SPIJENQIIVWYNC-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837668507 MCIBGNNSKXPWAO-QFIPXVFZSA-N 438.569 0.808 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)on1 1839199393 VVYRYLSRJBEFTA-GDBMZVCRSA-N 434.262 0.672 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839226672 UKOJTPDWUHLNND-DVOMOZLQSA-N 438.294 0.934 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840031272 KVOLOAWOXWXBJL-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840152451 IYCNIUJXCDGGHP-BFUOFWGJSA-N 437.884 0.282 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840227007 AWNBUKNGSCRCDA-QWQRMKEZSA-N 446.342 0.000 50 20 ICGD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840410463 GRUGANLQGFRWQF-GDBMZVCRSA-N 447.261 0.002 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CCBr)C1 1842637218 PNSXHDXIEPOQCH-GFCCVEGCSA-N 434.331 0.860 50 20 ICGD O=C(Cc1ccc2c(c1)CCCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013997 LSFKHRJFNOZFAY-UHFFFAOYSA-N 434.301 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3ccccc3O2)C1 1846335248 RAHHJDAENDLEKF-LJQANCHMSA-N 435.484 0.896 50 20 ICGD CC(C)(CNC(=O)NNC(=O)COc1ccc(Br)cc1)NS(C)(=O)=O 731687705 PAMXNEZYIRHVBW-UHFFFAOYSA-N 437.316 0.486 50 20 ICGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117964 KGRDNNOURVTFAY-JKSUJKDBSA-N 441.554 0.435 50 20 ICGD CCc1sc(C(=O)NNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1C 735979840 SYKMHNAZDHZQEU-UHFFFAOYSA-N 426.520 0.492 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1OC 742026169 MRIINFZCOJFSQE-UHFFFAOYSA-N 432.462 0.908 50 20 ICGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 746327980 IUAHNZCTZKKAAP-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nnn(-c2ccccc2F)c1C(F)(F)F 751061348 FRSLIPOOFJESLC-QMMMGPOBSA-N 435.359 0.621 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 751207103 RQEYODMEJVAUGP-UHFFFAOYSA-N 439.211 0.760 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1Br)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755231987 WTZVPSKQACPNSE-SECBINFHSA-N 435.256 0.417 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755260592 VMRUYASJCPRUSQ-MWDDYTRKSA-N 428.445 0.455 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 755603663 MKQSLSXRVAYWAO-KRWDZBQOSA-N 442.428 0.972 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NNC(=O)[C@H]1COCCO1 756671857 JRHYMQYODSBKTM-CQSZACIVSA-N 430.483 0.340 50 20 ICGD COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 757286141 LJJPTQWCGDTXAV-HNNXBMFYSA-N 446.485 0.848 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(OC)c1Br 757905772 XJOXINUFRZKMSA-ZETCQYMHSA-N 439.288 0.557 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc2c1OCO2 757994864 IHLUVISWKIZOLS-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)Cc1ccccn1 761270137 GYVVIIMYVZHPKF-UHFFFAOYSA-N 428.492 0.404 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763569740 BHEABPQLIBJWNW-PXAZEXFGSA-N 442.428 0.586 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnc(C)s2)cc1 763735765 LUWFRAZZNFZHBG-UHFFFAOYSA-N 425.492 0.167 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 763997406 KXMRJXMOIAUJHC-UHFFFAOYSA-N 439.222 0.972 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 764004805 NJTUVLUZXWVHRI-UHFFFAOYSA-N 433.226 0.163 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cccc4ccccc34)cn2)CCN1 764018870 DZJIXDBYJKFNBM-UHFFFAOYSA-N 446.467 0.500 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 764228079 UVHFZJPGWTZCBG-LURJTMIESA-N 441.691 0.126 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)cc2)CC1 764232014 MCXBSDFMQSRTLT-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1F 764387330 JYDREYAURHTCFS-UHFFFAOYSA-N 428.355 0.854 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 764395011 YHJSNCYSLLRFAG-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)nc3)CC2)cc1 765727989 KOMCCJWZVXVGLF-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD O=C(CNC(=O)c1ccncc1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765753063 USPCGXWBTSAGEQ-UHFFFAOYSA-N 444.923 0.430 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=S)Nc3ccccn3)C2=O)cc1 768577990 IFHHKHHXWDQJNV-IBGZPJMESA-N 428.474 0.875 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 771846102 NOHLHKMWAZZJKS-MRXNPFEDSA-N 443.547 0.590 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC 772194876 DTNZBWZZZIDUPM-UHFFFAOYSA-N 448.863 0.551 50 20 ICGD Cc1cccn2c(=O)c(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cnc12 773188335 UPKGRQUNOQKWSS-UHFFFAOYSA-N 435.849 0.379 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnc3sc(C)c(C)n3c2=O)n1 775952746 YSUKXXWYWCXJBV-UHFFFAOYSA-N 435.487 0.685 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC 778714650 SQXHVSSJSQLFTL-VIFPVBQESA-N 448.270 0.604 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@H](C)OCCOC 779355019 VZRFWHUTQJISCI-LBPRGKRZSA-N 432.499 0.540 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@H](O)C1)NNC(=O)[C@H]1COc2ccccc2O1 781834218 KNMLWLDLKSQYAA-FXAWDEMLSA-N 426.473 0.924 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)CC1 782120745 GRVPLHFXHTZWBW-UHFFFAOYSA-N 441.488 0.960 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 784003458 GPHTZGIPOQVGCR-UHFFFAOYSA-N 443.485 0.500 50 20 ICGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003500 HLFGYWREBPYTOJ-UHFFFAOYSA-N 434.474 0.598 50 20 ICGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003828 BYEOLZFEMCQJFE-UHFFFAOYSA-N 438.343 0.250 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1cc(Br)c[nH]1 784312870 ZMPFYVUNCQCXEZ-OLZOCXBDSA-N 425.283 0.979 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1F 796992024 KPTNHXDTQFRSJD-CQSZACIVSA-N 435.339 0.677 50 20 ICGD O=C(COC(=O)[C@H]1COCCN1CC(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 801341060 VQBUQYYMOMSLPS-GFCCVEGCSA-N 434.327 0.162 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Nc1cc(F)cc(F)c1 802003820 YVRKVLJEWLTVGV-UHFFFAOYSA-N 441.372 0.373 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814287247 CWWGRYSZTFYMLX-CQSZACIVSA-N 449.537 0.448 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc(C(C)C)nc21 816878625 VWWQQDNOFMPWLA-NSHDSACASA-N 440.464 0.256 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)c2ccccc2c1=O 915132699 GVIWRSXENQCRAS-UHFFFAOYSA-N 448.439 0.683 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(-n3cncn3)c2)cc1 919743640 QCECILHRMUNUDC-UHFFFAOYSA-N 429.462 0.052 50 20 ICGD CNC(=O)NNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 919877717 QFDCEUFWXOINGP-LLVKDONJSA-N 439.357 0.809 50 20 ICGD Cc1ncc(Br)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1 1338987054 ANXFPWSLEMHRAM-UHFFFAOYSA-N 427.284 0.915 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1341796836 UFDMKGNOOCKNNS-LXIYXOSZSA-N 429.470 0.660 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)c[nH]1 1778316831 FLTATLWKMNPQGA-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779180519 QSOQGLNWEQAWBL-YWZLYKJASA-N 449.584 0.276 50 20 ICGD O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779598430 MOXAAFLUWNRZAL-NQIIRXRSSA-N 432.908 0.975 50 20 ICGD NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1779940681 YXPOCTJTWPWJPR-BMLIUANNSA-N 430.292 0.507 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1780127711 FMYSJWKMJQBAAL-KUHUBIRLSA-N 430.860 0.886 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1781113701 JPFKEWMQHMHVBH-QJNYJZHLSA-N 449.907 0.579 50 20 ICGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783680409 GFQXVHXCTFENSN-SJLPKXTDSA-N 440.896 0.047 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)cn3)C[C@@H]21)[C@H](O)CCl 1784086137 GNDVJZOQHROBPX-FATJJJSSSA-N 433.839 0.876 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1785718029 MSFSPOGHJNUDRG-OXQOHEQNSA-N 440.880 0.282 50 20 ICGD COC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788410082 KWQVQLBXNDMVIN-ZDUSSCGKSA-N 445.867 0.814 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(Cl)c2nncn2c1 1788557572 RGHILHNEWHPEOX-FATJJJSSSA-N 442.303 0.576 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790961225 XKILZFGYHPAKJP-QTVXIADOSA-N 447.374 0.847 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)cc1 1791599835 MSLCNRROSRBGDT-UHFFFAOYSA-N 444.492 0.045 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1792867626 DMCDBUWHVJGKES-XHSYRHOGSA-N 429.271 0.122 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)C2)[C@H](O)CCl 1792979766 GANFOMCOBHHPJZ-LORHWOILSA-N 446.891 0.652 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n1 1794575336 DNOLKQWVALEUSW-BCDXTJNWSA-N 436.277 0.285 50 20 ICGD Cc1c(Cl)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732942 TYLQESQDWWXFHN-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](N)c1ccccn1 1796059345 DQCGXCIPYYLREU-NKPMETGSSA-N 437.504 0.854 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796283137 JTIWWJGFVGOYDG-MCYUEQNJSA-N 440.294 0.839 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796288793 MITVOTBQOFEHSL-IMEWIIRVSA-N 442.303 0.874 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289447 OFBQDJRHVYESRS-HNCHTBHHSA-N 438.282 0.422 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C)C2 1796441276 RPDLMNXPRPCWGP-LLJCUJCISA-N 438.488 0.727 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1F)C2 1797753026 QNMAOEOOUFRACU-IVWMJMPLSA-N 427.436 0.341 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CC(=O)N2 1797982173 ADNXKKWJAAPUCA-BJWYYQGGSA-N 427.505 0.806 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2)[C@H](F)Br 1799347214 NBMKVETWHQMIJL-OWLDWWDNSA-N 431.262 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799931792 BGFOBHSOYNTNLC-HSFUPAIVSA-N 433.553 0.399 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1800977446 PAJIBHCVHZHGKJ-KPEUIFRASA-N 433.896 0.724 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012377 AUHBJMQBYIGSEX-FAQVEIGNSA-N 446.548 0.888 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1ccco1 1803139134 UCEOIBLOGYWSBM-RKVPGOIHSA-N 434.880 0.710 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]3c3cccnc3)CC2)CC1 1803141858 UUGHEORJPZDUAZ-CEXWTWQISA-N 449.983 0.467 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncccn1 1805776737 QLVSLBOMXIKBCW-IEBWSBKVSA-N 431.261 0.185 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1807361667 JCSHGUFCRKJFBC-ZQYQINFJSA-N 437.305 0.649 50 20 ICGD CC(C)NCCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809936864 LUZCYQVFVATEDU-UHFFFAOYSA-N 430.553 0.918 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 1809971255 NSXJITUSKXZQJT-UHFFFAOYSA-N 440.265 0.761 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)=NN1 1810223430 NSMZXKUDYOUZHK-ZLKJLUDKSA-N 426.246 0.654 50 20 ICGD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813068068 IBTSOMOQEXBOKC-SIKLNZKXSA-N 444.580 0.802 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1814094531 FUYWXNKPHLTAKZ-NKRIVTLJSA-N 437.261 0.112 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1 1818111732 DKOSIOVHHCZGOD-ZFVWIKOCSA-N 438.452 0.968 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819595640 SXKCNTZRHPTOKF-CRAIPNDOSA-N 439.589 0.904 50 20 ICGD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)cn2[nH]cnc(=O)c12 1820116606 PODUNIRFOXSUTD-KGLIPLIRSA-N 447.883 0.960 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2csnn2)CC1 1824659941 ZOPBPIOHSOJAMM-SFHVURJKSA-N 428.323 0.765 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)cco1)CC2 1826080497 NTEVTWFQCVGSRT-NSHDSACASA-N 433.490 0.695 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826081413 QSNCKNDAMMTGDN-MEJMFZKBSA-N 448.549 0.287 50 20 ICGD O=C([C@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399434 ZATFDPFBHDNTLV-OCCSQVGLSA-N 425.852 0.580 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827706073 DUHUBPVIKDRDDO-GOSISDBHSA-N 437.585 0.751 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Br)CC2)C(=O)N1 1830375265 AEINLGHTWIAKNA-IUODEOHRSA-N 447.305 0.848 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732136 VHLLLBLHDXQNJH-CXAGYDPISA-N 436.267 0.544 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732898 YEXLYJBSWYCXOC-XLIONFOSSA-N 449.895 0.141 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834131875 CIMUZWDGOAWISH-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835668651 XPMBHRCUUQXGQW-HNNXBMFYSA-N 425.965 0.909 50 20 ICGD O=C(CC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929166 DHWQYJWRDWAOLT-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835930241 DXAIJODZJBFFGE-MBSDFSHPSA-N 442.321 0.183 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939109 FPFTYIWUYJFKJQ-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835960323 YLYKPFXWFXWEMT-OXFYSEKESA-N 441.912 0.572 50 20 ICGD Cc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836013978 AMIANFILTJFEBW-UHFFFAOYSA-N 445.568 0.343 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837646016 LBIMKCMCISPLRE-APWZRJJASA-N 439.589 0.222 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711986 YNCVCULNUAQETP-FQEVSTJZSA-N 440.617 0.576 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837714783 NJZSWWYEWSZIIW-UKRRQHHQSA-N 441.370 0.985 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837715225 CXJVWSHXJHWCOG-DZSVRRGNSA-N 440.617 0.766 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838570648 HECSEXZEJNRRME-PXNSSMCTSA-N 439.871 0.977 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200090 DVBLBHDYDIJFNX-DXTMGYRDSA-N 449.321 0.605 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373563 MSNKNXSYZHLKSX-YJYMSZOUSA-N 444.868 0.127 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)CC1 1840034988 CFTDPIXRUUTISD-LRDDRELGSA-N 433.299 0.179 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1840150584 NLDNVWXEDZRVDR-FZKQIMNGSA-N 432.880 0.191 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840155385 ZUEVOKXIDKLRKY-OXQOHEQNSA-N 439.896 0.109 50 20 ICGD CC/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840630078 BVJICNQEPOENED-JBHMLQSWSA-N 445.520 0.933 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846070228 XHGRQIXXUJGTFZ-CYBMUJFWSA-N 436.372 0.789 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846971311 UMYYQARCYFTHNB-LBPRGKRZSA-N 427.299 0.634 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccn12 110889845 NUPAQJMTWGQDEM-UHFFFAOYSA-N 449.514 0.935 50 20 ICGD Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nc1 725872075 JRZBXCWUDDMHQB-CQSZACIVSA-N 428.449 0.804 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 731543693 BRFXTHDVESJGSJ-UHFFFAOYSA-N 426.477 0.773 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)Cc2cccnc2)CC1 735100641 TZXVPGUKYZCNPS-UHFFFAOYSA-N 446.533 0.091 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)n1nnc(-c2ccccc2)n1 742471638 STFJGJMWAKKPQF-ZDUSSCGKSA-N 443.489 0.613 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(-c2ccncc2)n1 745835296 BISQPSFNEHMODH-UHFFFAOYSA-N 434.865 0.858 50 20 ICGD O=C(CCc1nc(-c2nc[nH]n2)no1)NNC(=O)COc1ccc(Br)cc1 748552095 CGFJTZCBJDGGON-UHFFFAOYSA-N 436.226 0.776 50 20 ICGD Cc1ccc(CCC(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 749162367 YKPVFSMYWQOKNH-UHFFFAOYSA-N 431.518 0.798 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=S)N[C@H](C)C3CC3)CC2)cn1C 751620919 ZUKJTGIQPLDXGH-LLVKDONJSA-N 428.584 0.423 50 20 ICGD N#CCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 758042631 AJIANLCTZJWFQI-UHFFFAOYSA-N 428.470 0.848 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 758045574 CPTCTSRRXPOELJ-RKDXNWHRSA-N 437.305 0.431 50 20 ICGD O=C(CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 759894834 FRHBDHZATYWHBL-MRXNPFEDSA-N 438.444 0.889 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)cc1 763867354 UWXSVHLZZBYMQW-LBPRGKRZSA-N 432.433 0.764 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)cc1OC 763904433 YXGCRVKGIIFCMV-UHFFFAOYSA-N 428.401 0.939 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 763998525 PPJYXXLWTIAYCX-LBPRGKRZSA-N 447.498 0.583 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1OC 764169947 XJJWXOMDQMRDQG-GOSISDBHSA-N 429.429 0.810 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1S(=O)(=O)N(C)C 764192213 IOQGRMPNMYQDJW-UHFFFAOYSA-N 432.502 0.964 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 764403862 DURTXAVLLUCJPI-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765389170 JUZFYSIIYCLQSP-UHFFFAOYSA-N 428.467 0.630 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)o1 765750085 ZACJCYFWDSDVQB-UHFFFAOYSA-N 449.533 0.075 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 766323651 VYNLZVXZOYAWAA-UHFFFAOYSA-N 436.450 0.625 50 20 ICGD Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NNC(=O)C(=O)N1CCCC1 767335720 YPQXHWBDDHUHEY-UHFFFAOYSA-N 432.296 0.544 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNc2ncccn2)c1 773721647 RKFVGZIXCCSLGE-UHFFFAOYSA-N 441.185 0.950 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC[C@@H]3CCO)nc2)CC1 779710769 KMMWTGKQEFYBBY-ZBFHGGJFSA-N 426.543 0.195 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780774033 QCDQBDJQLIUBNS-UHFFFAOYSA-N 441.487 0.221 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 783039355 NSHIOVWOISQSQR-UHFFFAOYSA-N 434.474 0.798 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 783998796 HILQCQRHDKALST-UHFFFAOYSA-N 429.477 0.914 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 783999926 NDIPTHQZQHIOOP-UHFFFAOYSA-N 429.477 0.457 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1Cl 785120190 LNSRJFSCZYNQTJ-UHFFFAOYSA-N 436.856 0.486 50 20 ICGD COc1nc(Br)ccc1NC(=O)C(=O)NNc1ccc(-n2cccn2)nn1 789589376 LIDVDIFZIXQVQL-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2c1=O 789736166 YNJHCMDOLBDAAO-CQSZACIVSA-N 427.461 0.952 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cc(C)on1)N1CCOCC1)c1cc(C)on1 790297194 MVOGNEVFWJWZMX-GOSISDBHSA-N 445.480 0.751 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COCc1ccccc1 792190592 MKTICFKIWBKQRZ-GOSISDBHSA-N 427.379 0.982 50 20 ICGD C[C@]1(NNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCS(=O)(=O)C1 798492806 HXPAFGBVZKMHJQ-HNNXBMFYSA-N 438.959 0.389 50 20 ICGD CSSCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 803480877 VEAOVZAXDUARAL-LBPRGKRZSA-N 449.576 0.498 50 20 ICGD COC(=O)N(C)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 804124794 YAXWKMXNYDIZIG-UHFFFAOYSA-N 436.284 0.813 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 805061583 RQKZCDAOKQEAEE-UHFFFAOYSA-N 436.712 0.863 50 20 ICGD O=C(NNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)NC1CC1 810551901 GEQQMLUGOMBRSX-UHFFFAOYSA-N 448.526 0.535 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnn1-c1ccccn1 914811126 RXJTXRTUMZXZAI-KRWDZBQOSA-N 437.412 0.720 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)CC(C)C)c1 915685514 HHJNJDCCKZAZTD-UHFFFAOYSA-N 433.552 0.549 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)n1 916236956 IEVXWYPBRSWSTN-UHFFFAOYSA-N 427.509 0.933 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 916278525 RUUKKUTUTDZNSV-UHFFFAOYSA-N 431.474 0.554 50 20 ICGD CCNC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916391978 OVPBWGSTLWIGGS-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 918224353 UWAFICSJABIDNS-SFHVURJKSA-N 428.445 0.824 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 1318775749 LEGTUHWKEVAQQQ-LLVKDONJSA-N 437.400 0.589 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=COCC1)C2 1778094989 PRHWSTKVYDQGFH-UYVYXKLWSA-N 443.504 0.939 50 20 ICGD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cn2[nH]cnc(=O)c12 1780019283 GALUYFXNTCGHFM-HXUWFJFHSA-N 447.568 0.626 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781094868 JJMWGUREOXJYBA-LZQZEXGQSA-N 435.396 0.689 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424416 GKQMFFLXQGHEQM-ZZKIFARHSA-N 442.426 0.993 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1784329996 YWIMHHGCEIJJIX-VFNWGFHPSA-N 426.477 0.191 50 20 ICGD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCCC1 1788607891 SHTFJQLSEOQLMD-WBAXXEDZSA-N 429.521 0.859 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1F)C2)c1cccc(B(O)O)c1 1795740295 OUWHJMMAVSMTCE-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc2cccnc2nc1O 1796189410 KFJWPLMWXMGXQR-BCDXTJNWSA-N 446.272 0.581 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1796439561 LLWAZGDPBQMONW-WGCSPTNMSA-N 435.550 0.664 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1oc(C)nc1C)C2 1796441761 ZNFNERLNDYDANO-HXQQXZKVSA-N 442.476 0.629 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 1796889908 ZTLJDEIMCIYNJA-WPPMCKGSSA-N 428.493 0.285 50 20 ICGD CC[S@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798286045 KNUFRZIWTNUVJX-LLAIVIGJSA-N 435.550 0.917 50 20 ICGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)nn1 1798708038 GAFSDPDAVMWMPH-LFSVMHDDSA-N 432.294 0.927 50 20 ICGD O=C(Cc1c(F)cccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798982966 OHFVPUQKQRZEKW-USGNIVHTSA-N 444.243 0.091 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799152516 DNVWIIUOZSTJII-RPCDLPGOSA-N 442.354 0.760 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2)[C@@H](F)Br 1799349774 KXQUHULKXJTUOK-RDBQEKCUSA-N 426.246 0.852 50 20 ICGD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334779 VBRFJSCYALXECT-RNCDSHHQSA-N 446.454 0.988 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800636928 DYFGIJNIDUEYDX-FMPTWSOUSA-N 425.323 0.963 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@H]1c1ccccc1 1800924142 QPHJVEPFNZRXNU-PLSULTGPSA-N 434.301 0.373 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1800978619 WPCNFJIXLJHGNR-YALNPMBYSA-N 433.896 0.724 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnc1 1803308416 OILMADWIBQGJML-PBEJRMEISA-N 447.304 0.539 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCCC2)[C@H]1c1cccnc1 1806887616 ITRNZVQVCQIVDV-AUSIDOKSSA-N 444.580 0.946 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807108760 AVODRGMCFRCWLM-HNAYVOBHSA-N 443.508 0.653 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367856 NMGCBEKWBILIQS-RXVVDRJESA-N 437.305 0.386 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)nn1C 1807369279 DTOBPKBXJYCUSK-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373229 PQVOUTYTYIXFMT-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293281 BWWMEUIMFSELPM-JLSDUUJJSA-N 426.477 0.171 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816025827 BISRTIJMYOPJCO-QQUKTLKZSA-N 441.477 0.621 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(O)n2)[nH]n1)c1ccc(B(O)O)cc1 1817470864 JHZYNSMSCHNYEF-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C1 1827052562 OJMSHWAZXQIMQP-RBBKRZOGSA-N 441.381 0.942 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1831657531 PIAWQZLAYWWAJX-SUMWQHHRSA-N 431.946 0.761 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833771789 ILAHIJKLAXZHFT-GOSISDBHSA-N 439.919 0.917 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111105 APWSHVBHPUWCCN-ZLKJLUDKSA-N 447.964 0.895 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839147219 KHKXNVZLOZTYTG-MBOZVWFJSA-N 430.977 0.096 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839201816 KCWINIWGHBSENG-WWGRRREGSA-N 438.294 0.934 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839976973 CVSSBBIDVMFBKW-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840152360 GKXLGJACIFVLDP-MGPUTAFESA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1840154784 GMJUECXZQXBDBL-LPHOPBHVSA-N 428.917 0.279 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487726 USQPTLCLVUDDJW-AMVWBUNWSA-N 439.310 0.730 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265424 ASXNIOWQHGPURT-UHFFFAOYSA-N 446.508 0.417 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1844691821 DXVAGKGXQRFGGX-HNNXBMFYSA-N 432.389 0.446 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@H](NC(N)=O)c1ccccc1 10291958 IUKLACYMOXRUGS-AWEZNQCLSA-N 432.506 0.849 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 17184786 SYHPFZYWKBHWCQ-UHFFFAOYSA-N 431.357 0.993 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2OCC)cc1 26069228 UBALFWGLXBVNNR-UHFFFAOYSA-N 431.470 0.837 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(O)c1 728207342 MSTMZIHIEJXYEZ-AWEZNQCLSA-N 435.506 0.902 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 728856370 OCYBWJXWEBTVBK-UHFFFAOYSA-N 448.320 0.800 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(C)C)cc1 731342866 DHIRCMPYAKRPRD-ZDUSSCGKSA-N 436.494 0.494 50 20 ICGD COc1ccc([C@@H]2[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CCC(=O)N2C)cc1 734428498 SABTVLQASJSLCS-UKPHBRMFSA-N 438.506 0.122 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)nc2)CC1 741424848 GZRFWNMESZJVJY-USXIJHARSA-N 438.554 0.457 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 743576591 GNJLILBCZMWLPT-AWEZNQCLSA-N 429.433 0.020 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 746550799 VPVLHWHINSBYHA-ZDUSSCGKSA-N 426.389 0.830 50 20 ICGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 747072940 VDLSTGUOXLBBHD-CQSZACIVSA-N 428.426 0.619 50 20 ICGD COC(=O)c1cn(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)nn1 747199308 HQUDDTIPGGUVCR-UHFFFAOYSA-N 446.427 0.774 50 20 ICGD COCCO[C@@H](C)C(=O)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 748260854 ZCWSLQZSSKTUCJ-ZDUSSCGKSA-N 435.524 0.304 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cc2ccccc2o1 749474342 MFSBHBSKQVJHQD-UHFFFAOYSA-N 432.458 0.867 50 20 ICGD CN(NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758781460 FGCJGOABDNDKDY-UHFFFAOYSA-N 425.446 0.817 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc1O 763438542 AYHGKYXOUKNWHB-UHFFFAOYSA-N 431.467 0.793 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763573040 WULCYJXXSDYOKW-KRWDZBQOSA-N 442.428 0.323 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 763662360 XWACAYMUJMXEAR-UHFFFAOYSA-N 427.417 0.604 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 763745997 NGTUSDZMPSCMHT-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763864656 DZRJRIDVYQBTED-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764166930 GDRVTNOGUHUGTJ-KRWDZBQOSA-N 426.429 0.291 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764263401 HHNKAPBCYCBUBY-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 764400935 RHDCYJYTPHGYRV-AWEZNQCLSA-N 445.476 0.209 50 20 ICGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 765754147 JNPVPBLWIIJFCF-MRXNPFEDSA-N 436.944 0.396 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@H](C)O)cc1 767302750 WBUDZRRLDDVLPK-VHSSKADRSA-N 449.485 0.010 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3nc4ccccc4[nH]3)n[nH]c2n1 768500686 RISSNEYSGFSFNA-UHFFFAOYSA-N 427.498 0.917 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 768636923 AGCRWDQCJYYJAJ-UHFFFAOYSA-N 430.508 0.870 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 771932947 COKTUKHHMQALTK-ZIAGYGMSSA-N 433.461 0.936 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 772045572 RHSXENIEPAWIGI-SKDRFNHKSA-N 430.255 0.029 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c2ccccc2c1=O 776637768 CFFGYBVBINLHKZ-UHFFFAOYSA-N 444.492 0.390 50 20 ICGD CN(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)C(N)=O 778417932 ZGPYTULJAKHDNL-UHFFFAOYSA-N 426.236 0.197 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c(C)nn(C)c2-n2cccn2)cc1OC 778479099 LMWFPAIBBNMYJG-UHFFFAOYSA-N 442.432 0.549 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c(C)o1 778705458 BUKXJWHZZPERPC-UHFFFAOYSA-N 432.408 0.908 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F 778711001 TYWKSBORJKXAKO-SNVBAGLBSA-N 440.428 0.655 50 20 ICGD NC(=O)c1coc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 779670695 SGLFPEAQNREBMC-UHFFFAOYSA-N 449.489 0.697 50 20 ICGD CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CBr)CC2)c([N+](=O)[O-])c1 782401607 IINMNUQEOSBCSS-UHFFFAOYSA-N 442.313 0.803 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)n1 785227656 WEMAXEJQUPFJTH-UHFFFAOYSA-N 447.521 0.945 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 786730117 PIUXGRCBLCLWOX-HNNXBMFYSA-N 437.478 0.619 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 789822276 VQUNYIPPLYJTIK-WMZOPIPTSA-N 443.481 0.675 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1 795385752 KSGLZZXAQIQIJK-CYBMUJFWSA-N 427.479 0.293 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 799468010 NAAMECZEWPEJMZ-LBPRGKRZSA-N 449.555 0.164 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)COc2ccc(OC)cc2)c1 800595616 CDCNVGXCELAADD-UHFFFAOYSA-N 429.433 0.403 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NN(C)CCOC)CC2)cc1 808075381 XGURJERSNAPCIW-UHFFFAOYSA-N 427.523 0.873 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 815691070 DVNDPXKVNOCDCD-GFCCVEGCSA-N 426.433 0.668 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 815779273 YGOCIEHZQOGGIB-CQSZACIVSA-N 430.383 0.807 50 20 ICGD CC(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 842471296 VUBSZNAKOFFECQ-HMVFGEFZSA-N 431.536 0.183 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccncc1 916093727 VPDNJCQPLJOQIV-INIZCTEOSA-N 434.474 0.572 50 20 ICGD O=C(CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CC1 916577497 FSBFSSOWDYWICI-UHFFFAOYSA-N 437.522 0.474 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 919954795 UKYWEBOQNJSTSW-UHFFFAOYSA-N 441.466 0.777 50 20 ICGD Cn1ccnc1[C@@H](O)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1253312071 JEYFAJFZZGMMMK-KRWDZBQOSA-N 442.524 0.613 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154274 VJHGBXWNBBUDTR-SUMWQHHRSA-N 432.315 0.690 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4cc[nH]c4c3)CCO2)C1 1779030668 SWZORPCBTTZAKR-HSZRJFAPSA-N 448.483 0.924 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783349190 JALQTYGEWAUAFB-PBFPGSCMSA-N 433.347 0.697 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783807366 RAHSGHAUOKEMTQ-HFMPRLQTSA-N 434.301 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1783935316 PUWAMDKSHAJUHB-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1783935538 VRPGNSAKWIEVOZ-HXUWFJFHSA-N 449.464 0.117 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCCCO)cc3)C[C@@H]21)[C@H](O)CCl 1784090835 DDXOJKBVWLYZEM-KANFNMMFSA-N 440.924 0.641 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785170144 CTFSLTBKNZHJCD-BZSNNMDCSA-N 448.596 0.643 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnn(-c2cccnc2)c1 1785724705 YSAFDNSZJNRONK-RUGDWHBFSA-N 433.896 0.460 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981653 CTJHPXDHFMGEBQ-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607917 VHTVQAWKXOGWEI-RCBQFDQVSA-N 437.928 0.543 50 20 ICGD CS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789522911 WUWZMKOCRVJRGO-UHFFFAOYSA-N 445.501 0.477 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791281132 VFBITLZLHYWEKF-LLLAAFKUSA-N 449.342 0.613 50 20 ICGD COC(=O)NCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791749405 BUWGXSLUALYSTO-UHFFFAOYSA-N 425.250 0.470 50 20 ICGD CC1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1793388341 WBPNZTVFFGJTGB-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005112 NBCPMQLHXARGOH-YHYOWMERSA-N 434.280 0.617 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795494766 YZMIOMTXGXLOJQ-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(-c2ccncn2)noc1C 1798490705 NSXREZCOJOXPFK-LOUJCGABSA-N 449.895 0.897 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186955 VYHOBSOODCYGLJ-NQNKBUKLSA-N 445.402 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(F)cccc2n1 1800001422 NQIZMBQRNYVRRK-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cncn2)c1)c1ccc(B(O)O)cc1 1800724425 WOMJYNDVIDTSPX-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1805389592 SPSMIQBPMPZDLW-MRXNPFEDSA-N 448.402 0.535 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806840604 DVFKUMBEQJVICE-STQMWFEESA-N 443.342 0.847 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370751 KCLDJTQDDPNKGA-RXVVDRJESA-N 438.337 0.469 50 20 ICGD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1807612950 AQFNFFKXQCAJCV-FPMFFAJLSA-N 426.250 0.465 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)n[nH]3)C2)CC1 1809907207 ZYCWKSRCHICCCG-UHFFFAOYSA-N 427.465 0.272 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@@]1(F)Cl)CC2)c1cccc(B(O)O)c1 1815361940 VDADVKIHSIHJMH-SOZUMNATSA-N 437.689 0.973 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815774272 ZSUVRKZDZNPSNC-MVWJERBFSA-N 426.861 0.254 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](Cl)COC)n[nH]1 1822369144 GFDOUDMXDATQBL-BZPMIXESSA-N 449.961 0.983 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829364468 PIHTYQYRTAAUQB-MRXNPFEDSA-N 442.476 0.926 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830359826 VZMFBVLRIVKPEU-FQEVSTJZSA-N 431.961 0.430 50 20 ICGD Cn1c(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc2ccccc21 1830429146 WFPSMHQQPKQPHH-UGKGYDQZSA-N 449.935 0.777 50 20 ICGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc(Cl)cc1 1830683131 SQAKBCGVTRIEDR-HNAYVOBHSA-N 445.299 0.579 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732224 WLRYTYKHBJYRBA-WIYYLYMNSA-N 448.907 0.608 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736357 SDPOMQIJKHLXRJ-KDOFPFPSSA-N 427.910 0.899 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831647836 ZBZOPNBATYBZFK-WIYYLYMNSA-N 445.004 0.488 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)C1 1833306250 OQANJZGSYKSWJA-DAYGRLMNSA-N 443.972 0.747 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836848 GCYVCCGDCRTMFK-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cccc1=O 1833873346 VKFHFKQFPOLANG-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)c1ccc(B(O)O)cc1 1834799159 PJBYTEUASDHOPF-UHFFFAOYSA-N 442.152 0.355 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)s1 1835847686 NZGMVODLTBYNRB-IINYFYTJSA-N 437.291 0.486 50 20 ICGD Cc1nocc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837518268 NWYBEHBNNASXAU-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1838786200 LYLPDBYFRICMHL-KRWDZBQOSA-N 427.933 0.921 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)CC2)CC1 1839108151 AGPIEVAQYOAAAQ-SFHVURJKSA-N 449.379 0.027 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150332 JPZUYANYUWRERL-MSOLQXFVSA-N 438.352 0.594 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198238 AJLZMUUFSIMDOH-PBHICJAKSA-N 446.273 0.851 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203838 YJNZJXKXDNBCFB-WBVHZDCISA-N 445.289 0.556 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839215865 PVBPUNNYLKMPNK-GLJUWKHASA-N 446.342 0.237 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839900754 KDNSRYAYBBCNQV-MBSDFSHPSA-N 446.353 0.653 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839980956 VBUNFMACQYEADA-DNVCBOLYSA-N 432.851 0.563 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182577 NYDXSHGDNLISFQ-BEFAXECRSA-N 432.949 0.223 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188583 RGKCZRYIAPXHLO-CYBMUJFWSA-N 437.198 0.352 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1843415619 RYYFHCRWDVWGCF-LPYMAVHISA-N 426.433 0.037 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr 1847499561 GFQSVXBTOBCGHM-MWNCTCPHSA-N 440.342 0.690 50 20 ICGD O=C(COC(=O)CNC(=O)c1cc(F)cc(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 728333038 HUAXHDLDLKOLFD-INIZCTEOSA-N 449.366 0.225 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=S)NCCNS(C)(=O)=O)c1 728446558 VDAZNVBWVZYMPO-UHFFFAOYSA-N 425.330 0.116 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 729499957 CDAHTRRDNSCAKP-MRXNPFEDSA-N 435.481 0.947 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 731058802 TTXHSONJNLUNGZ-UHFFFAOYSA-N 445.251 0.215 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(C)c(=O)n(C)c1=O 735029036 QUMMYKLOBSUIGC-VIFPVBQESA-N 425.239 0.075 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1 737923768 ZCOMGZLAXUKJQG-QGZVFWFLSA-N 449.533 0.791 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NC3CCCC3)c2)CC1 744060452 BRXBGUIPIDIVBH-UHFFFAOYSA-N 437.522 0.426 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1OC 744465675 VZBHBKDFHCQONK-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD CC(C)NC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 745145305 BPYRLDNJXJGYIV-RZXPCSSPSA-N 446.551 0.119 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)C2CCCCC2)ccc1Cl 751295468 YQQNZGNBQYATOB-UHFFFAOYSA-N 430.914 0.835 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1N1CCCS1(=O)=O 756705687 NQQVWRMOQNIIRG-LBPRGKRZSA-N 430.508 0.122 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 758697267 IFTUCYZYOOYEHU-UHFFFAOYSA-N 449.512 0.293 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(C)cc(O)cc2=O)c1 759677075 CFNBQEYUNRXCST-UHFFFAOYSA-N 436.490 0.354 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763681197 NCABMMHTLCQKEI-UHFFFAOYSA-N 431.424 0.531 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)N2CCc3ccc(C)cc32)cc1 763738043 SFKOLDRFEUYNPB-UHFFFAOYSA-N 444.513 0.661 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1S(N)(=O)=O 763785738 QLVKKMYJWKHKHX-UHFFFAOYSA-N 436.515 0.846 50 20 ICGD Cc1nccc(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)n1 763917064 OPTYUYBCAZJRLZ-UHFFFAOYSA-N 443.427 0.827 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cnccn2)c2ccccc2O1 764024585 NKTLMLFMOAJBCP-QGZVFWFLSA-N 440.460 0.337 50 20 ICGD Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 764204567 VOYCHPTYZFZDCW-UHFFFAOYSA-N 437.298 0.899 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 764205060 XWRWLLUNEJDWTB-UHFFFAOYSA-N 442.494 0.481 50 20 ICGD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764233437 WSRIAHOYGIQBEF-SECBINFHSA-N 447.901 0.102 50 20 ICGD NC(=O)c1cnn2c(C(=O)NN=c3cc(C(F)(F)F)[nH]c(-c4ccncc4)n3)ccnc12 764305747 MOMWXTQOWRZDCD-UHFFFAOYSA-N 443.349 0.878 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 764356124 CKFIETOOSJCWMM-UHFFFAOYSA-N 435.462 0.755 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764592750 YLORDHXDWHWFRE-UHFFFAOYSA-N 425.493 0.433 50 20 ICGD C/C(=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 765725461 SHYZXSGFWGRLMY-XFFZJAGNSA-N 430.852 0.338 50 20 ICGD CCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 768238798 FDPFELRTKPVPHL-ZETCQYMHSA-N 441.293 0.416 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 770634597 IQUKZUMYYOIMAS-UHFFFAOYSA-N 431.945 0.419 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCCc2cccs2)cc1F 771140656 BHJXOEGNOLWKMD-UHFFFAOYSA-N 436.512 0.994 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc(OC)c1OC 773071898 GRRDHVYVCCDYKU-UHFFFAOYSA-N 445.432 0.257 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(C)COC(C)(C)OC3)cc2)CC1 775607075 GJJGWGUINQCMLC-UHFFFAOYSA-N 426.539 0.855 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 775851885 VBCFBZYAEPGACG-OAHLLOKOSA-N 437.453 0.581 50 20 ICGD CN(NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204783 GGZAFZGFQIGXCY-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD CC(C)OC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CCCC2 782965087 FKLAQHUNZBVATN-UHFFFAOYSA-N 436.490 0.557 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)nc1 783264440 PVNJUQZSLVKVIM-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCS(=O)(=O)C1 783428593 WEHQKUJXYUHBEJ-CQSZACIVSA-N 448.429 0.754 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 784000122 NREICBYCFQGVBQ-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 784002944 NFPNEVXZBFLSLE-UHFFFAOYSA-N 441.444 0.422 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785068181 VRQMRMCWOGUFDO-UHFFFAOYSA-N 438.444 0.130 50 20 ICGD CN(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Br 786417170 NQSPYMHDCXXPRB-ZDUSSCGKSA-N 429.271 0.012 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 786969651 JVAQQJQNACQREM-SDXDJHTJSA-N 441.513 0.962 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2C1 794072328 URVFPKQOYBBVDK-INIZCTEOSA-N 442.476 0.269 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)c(OC)c1 794599077 AYZYRSSKSZXYKK-UHFFFAOYSA-N 428.492 0.784 50 20 ICGD Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794599426 ZGPUFVHFBKDYHS-UHFFFAOYSA-N 427.460 0.991 50 20 ICGD COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NNC(=O)c1cccs1 796677995 LZWMWTICVBMZJT-CYBMUJFWSA-N 440.522 0.994 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978499 DJOGCZPLMQZZBM-OLZOCXBDSA-N 443.485 0.248 50 20 ICGD COC[C@@]1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 810945164 ZXRSXGIONMIANK-LJQANCHMSA-N 430.502 0.932 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3cncn3)c2)cc1 849200699 BXKFMIJSIAKBNV-UHFFFAOYSA-N 430.446 0.549 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccccc1O 915921968 RUGJFSFYNLWLQN-UHFFFAOYSA-N 434.474 0.557 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(OCC(N)=O)c2)c1 916254819 RBKYFTSIUBVDCJ-UHFFFAOYSA-N 435.462 0.268 50 20 ICGD COCCOc1ncccc1CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 916510196 CEDZBHOBYXUFIS-UHFFFAOYSA-N 426.433 0.498 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)c3c(C)nc4ccccn34)cc2S1(=O)=O 917522565 HTZYAMMQLKQNLM-UHFFFAOYSA-N 427.442 0.882 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)s1 917723840 OTTMYERULYZFCB-UHFFFAOYSA-N 432.505 0.451 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 917925398 LAXVRMKFXHJFSG-UHFFFAOYSA-N 433.425 0.174 50 20 ICGD COc1ccnc(NNC(=O)c2cc(I)ccc2-n2cnnn2)n1 918074396 GGLGAVRMANRHBJ-UHFFFAOYSA-N 438.189 0.822 50 20 ICGD CCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 920858755 UQCVAIVFOKETBS-UHFFFAOYSA-N 445.929 0.303 50 20 ICGD O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1 921304689 RODQFZBZMVROQT-IRXDYDNUSA-N 430.486 0.005 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1777985227 VCVWCDFHOMNYBT-PBFPGSCMSA-N 433.347 0.732 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CC=CCC1 1780680229 QQIIKXSDCWMZNI-XTQVGHSUSA-N 426.322 0.850 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781056284 FIWYUPCRNBDWNO-SDCOAXJVSA-N 446.317 0.908 50 20 ICGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCBr)C3)CCN1 1782266549 CRDOMMJSRVVPAZ-PMUMKWKESA-N 430.343 0.812 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1783882823 SBICBGRDDXLKQO-KZULUSFZSA-N 440.909 0.453 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789872949 MCWTVCQJAXEEQB-WZTLGTBRSA-N 437.368 0.575 50 20 ICGD CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C#N)=C/c3ccc(F)cc3F)[C@H]2C1 1790693599 SHCHWRBEBLMJPA-DKQAGWEXSA-N 446.454 0.940 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1791255352 NWBDSBMIKWPWIM-BJDJZHNGSA-N 430.807 0.325 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791284985 QUSKUHSVJIFNBX-NEULZYRMSA-N 435.315 0.367 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 1791290622 CNJLQIQBIBJDBS-QEJZJMRPSA-N 426.901 0.899 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791677199 YIADZUGROJESCF-OQRYQMPQSA-N 440.305 0.432 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1F 1792983580 PPFLJDAOOLTVRL-LMWOUKEDSA-N 448.900 0.032 50 20 ICGD Cc1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc2[nH]1 1795735838 GFHURIMPWGCDCB-HATOLVCRSA-N 447.300 0.673 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795879573 YWXGJXWIUHKIIJ-MOINTJSASA-N 430.509 0.091 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1nnc3ccccc31)C2 1798439530 GFGRYERWMXGTDQ-QDMKHBRRSA-N 448.487 0.382 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccn3n1)C2 1798440165 FDEDICGPXQFABG-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2NC1=O 1798580631 BKZVHJUCCYQXQX-SGJPCXMMSA-N 437.880 0.209 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N(C)C)c1 1798886054 DUPWRCAQUXXBBB-UPHUGPLXSA-N 431.537 0.329 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)[C@@H](O)C1 1799980136 SGWLZPUBHHRWSM-KARBZBNUSA-N 445.944 0.452 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1800602841 UUJUAOXKYUWADM-NEDDEVHNSA-N 445.520 0.768 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800757099 IGMFEEKICYBWQJ-SSYGJKRZSA-N 431.356 0.386 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1800976913 LHMAYABNUUARPJ-KYZVSKTDSA-N 433.896 0.929 50 20 ICGD COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(C)c1 1801012508 LSHBLCKQQJLXHO-FAQVEIGNSA-N 446.548 0.888 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802595948 GUSGTOMCEFNBTG-HKUYNNGSSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803148553 SREKGHDPJMEVBQ-VGWMRTNUSA-N 429.926 0.264 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809226412 MBWGIOCWZSZQCE-ZNMIVQPWSA-N 429.868 0.439 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cc2n(n1)CCCO2 1809855801 YVQJZGZMETZXIS-LESCRADOSA-N 433.896 0.980 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1811491110 QNBPEHBXACAIPM-KXBFYZLASA-N 448.487 0.745 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H]1CCCCO1 1814504573 TVSBFZYEHDQAFE-QZTJIDSGSA-N 426.282 0.965 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598585 FIDNXSSVROYGST-KOLCDFICSA-N 441.286 0.737 50 20 ICGD CC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276155 NFKOBTDARBCPHC-REIVBMTPSA-N 432.506 0.960 50 20 ICGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)c1 1819795970 WQQKETFDFAVGSN-JTQLQIEISA-N 440.489 0.415 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1820168405 FCFPNKFKJHRATA-NSHDSACASA-N 436.566 0.832 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825636006 PMYAJXSTDLMYOD-OOZYFLPDSA-N 444.311 0.437 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1825999393 QXJHCNWNMKLGPE-DTWKUNHWSA-N 440.846 0.034 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)CC1 1826220398 NSAVBBOQHNRRIC-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCBr)CC2)N1 1826353300 VCHSSLLZZHXZRZ-ZIAGYGMSSA-N 443.342 0.989 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C1(O)CCC1 1829740182 KJOVDXOTNMPXJZ-QFBILLFUSA-N 428.602 0.845 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724133 DEKUNLPNFYIHLY-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730882 GMGYFSWSHNZKCF-FXAWDEMLSA-N 439.871 0.977 50 20 ICGD N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830731231 IFXTWBQJZCSZRA-BEFAXECRSA-N 442.299 0.881 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735656 KRIKQLKKRQZXGG-DYESRHJHSA-N 440.924 0.982 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1831873681 SDGLVIMVTXRYDC-HNNXBMFYSA-N 449.512 0.924 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1831954985 ALHQNHMKSVAYHI-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832056505 MRLSNVCBQPDGRI-RLFYNMQTSA-N 432.359 0.568 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668094 QDLZFUKLARTPPU-SJCJKPOMSA-N 429.267 0.702 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833534991 QZWZUTGJSYJGSD-MRXNPFEDSA-N 444.960 0.509 50 20 ICGD CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1833591268 YSSYPEGQVDYVLL-FZKQIMNGSA-N 449.335 0.306 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821180 AFXOZILVEHRPPV-KRWDZBQOSA-N 434.331 0.000 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823097 JDAUCXVIAQNDIS-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835167135 CZKHSMYBXMVDDS-FOIQADDNSA-N 440.880 0.014 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C34CC(C3)C4)CC2)CC1 1835737342 KATHFFUASUTNCM-UHFFFAOYSA-N 440.548 0.670 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689220 RHTRCQKDYINFNJ-GQIGUUNPSA-N 425.913 0.883 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839048013 GWVQOWCGVDDEGA-FUHWJXTLSA-N 425.848 0.263 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048985 CNHXRHUHPQFDKZ-JXFKEZNVSA-N 435.912 0.746 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839144732 JPZNTPLGHMFWEZ-MPGHIAIKSA-N 430.958 0.487 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840032364 WKWYBFZKJFBMTD-WBMJQRKESA-N 432.340 0.925 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840036894 RZBVGGMISFGCPW-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840151728 MQXZMZZWFUODRF-KDOFPFPSSA-N 444.941 0.279 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1840151888 QACWKNKVJREGGI-LLGFUMIMSA-N 437.924 0.906 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408222 MPJOMTCDERQPAI-HNAYVOBHSA-N 426.901 0.719 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415928 UKVIXRXOBWRFPK-KEYYUXOJSA-N 444.330 0.327 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840725386 PUTCYLLOJLDPCH-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938332 OEHZNWZVPKNBPN-APWZRJJASA-N 446.386 0.960 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)CN2CCCC2)C1)NC(=O)NCc1ccccc1 1841092226 PNCSVJOOTDTWAV-UHFFFAOYSA-N 442.564 0.632 50 20 ICGD COc1ccc(OCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1841189505 PIXOKKCKPKMDCE-UHFFFAOYSA-N 439.472 0.590 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011524 MDLBWQRZSLRDAP-GOSISDBHSA-N 435.289 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2CN(C(=O)OC(C)(C)C)C2)C1 1843842386 NKUGOARQCNAKHG-UHFFFAOYSA-N 437.541 0.430 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847549839 IWQSQAOWIGNMJL-HNJRGHQBSA-N 442.321 0.551 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847773445 BYVIAQFVCVBCOC-CMOCDZPBSA-N 434.301 0.994 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCNC(=O)Cc2ccccc2)cc1 105475612 VDROSFDQUCHREP-UHFFFAOYSA-N 446.529 0.512 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 728018625 QAHQPYSWRRTHTL-OAHLLOKOSA-N 442.563 0.790 50 20 ICGD Cc1cccc(C(=O)NCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728960206 WMWJOTRSYXGGJA-UHFFFAOYSA-N 425.493 0.762 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccc(Br)cc1 729275031 JRZFTBKOKDRADT-VIFPVBQESA-N 444.311 0.642 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cc1 730291868 VXNMCGTVUIIBTE-UHFFFAOYSA-N 428.470 0.922 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)s2)C[C@@H](C)O1 732264549 VGRQKPBAZCDZLP-PHIMTYICSA-N 447.355 0.887 50 20 ICGD O=C(COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732325438 ORZORFRDOPXBHN-HNNXBMFYSA-N 447.448 0.827 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(c2ccccc2F)C1=O 732824024 FYPOHSXIOMNGKX-INIZCTEOSA-N 441.467 0.968 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3cccn3)nc2)CC1 735116688 BUIHOULNLUGMEF-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741185738 QDMBRKKMLRGFLY-HNNXBMFYSA-N 428.445 0.474 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cn1 742255587 LUAMXSSFBLFXFV-UHFFFAOYSA-N 426.451 0.475 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2Cn2cncn2)c1 742470835 KQIYZLAPBDICKS-UHFFFAOYSA-N 428.474 0.652 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742477641 SHRGTIQFAFKAJH-IONDEXAJSA-N 439.472 0.299 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O 743294833 AYHQREHTVRONCN-SECBINFHSA-N 429.886 0.524 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 743826765 MYARKAQCQNSFOP-UHFFFAOYSA-N 434.497 0.985 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 744383051 GMFDRPNSOAKPBV-CYBMUJFWSA-N 444.579 0.005 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1Br 746369620 YBWXPNBKYSIABU-UHFFFAOYSA-N 426.296 0.792 50 20 ICGD CC(C)(C)OC(=O)[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCO1 747490017 GJNKOHDCPAKPLG-CYBMUJFWSA-N 441.510 0.377 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 756513906 AFOYAYMZCNDENW-UHFFFAOYSA-N 434.409 0.831 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)n1 756873087 GKWLBPOODAEPRN-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD COCc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)CC2 757790841 WJTHVSFAMNUVLM-GFCCVEGCSA-N 438.514 0.147 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)Nc3ccccn3)cc2)CC1 758827970 PCHACMVMBGYQSW-UHFFFAOYSA-N 445.501 0.902 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)NCC(F)(F)F 760801573 SUBMMQZWQRBPMC-SNVBAGLBSA-N 425.408 0.785 50 20 ICGD CCc1ncc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763531753 QEMAMBBITSXKDI-UHFFFAOYSA-N 425.493 0.337 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 763578256 NRSHMXVUOISKSM-QGZVFWFLSA-N 443.412 0.473 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1C 763786944 RSRGPIVNWJHUEO-UHFFFAOYSA-N 437.412 0.428 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cc21 763918367 FZQRMHKTITYQHZ-UHFFFAOYSA-N 425.420 0.855 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cnn(-c2ccccn2)c1 763943417 GUGYMZKBSLIWIC-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)c(=O)n(C)c1 764086413 SYBZCRVPAWGUBG-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD N#CCOc1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765738672 MNVJUQQYYOJTLQ-UHFFFAOYSA-N 435.484 0.737 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 773252273 SHLZTSRTPOEBDD-VIFPVBQESA-N 438.849 0.647 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1ccc(Cl)nc1 780376147 PEFWRQUHCOKGKV-UHFFFAOYSA-N 430.895 0.799 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782837687 PJKKMAAYKXHMAL-GFCCVEGCSA-N 442.428 0.473 50 20 ICGD CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003489 HBWAQUUYPORCDM-UHFFFAOYSA-N 445.501 0.792 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 790112614 HFJVIEYLCYVFHT-UHFFFAOYSA-N 435.550 0.864 50 20 ICGD NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNc1nc(-c2ccncc2)no1 791343095 DNNPRPZBSNIMDK-ZDUSSCGKSA-N 429.824 0.902 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(-n2cnnn2)cc1 795282811 IHFJICUAKLZOAP-UHFFFAOYSA-N 441.788 0.986 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 797427768 CUZNCIUADHZBQD-UHFFFAOYSA-N 435.458 0.977 50 20 ICGD COc1cc(NC(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c(OC)cc1Cl 802079666 VHVDRVFSPRXXCV-UHFFFAOYSA-N 446.873 0.222 50 20 ICGD O=C(NNc1cccc(F)n1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 807392687 VQANYYQYPCVPBD-HNNXBMFYSA-N 429.408 0.317 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1c(I)cnn1C 814209621 ZSXRXCAUNJKUBZ-UHFFFAOYSA-N 430.202 0.873 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751748 NESFJMWLANVGBD-UHFFFAOYSA-N 433.490 0.687 50 20 ICGD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 920746046 QSTKRIJUYCIPQT-CYBMUJFWSA-N 439.494 0.962 50 20 ICGD O=C(NNc1cccnn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1116568372 UBDAZHZUESJGMG-UHFFFAOYSA-N 448.505 0.091 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 1318504166 OYBCLFFHCAFEGA-JFIYKMOQSA-N 431.537 0.649 50 20 ICGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c2ccccc21 1778168159 TWNSQRWPANYESN-LJQANCHMSA-N 441.315 0.974 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1778354452 KVZKFHUPKKIWKX-OALUTQOASA-N 449.379 0.217 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1779036594 BBKXIYIIDFKWLB-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)OC(C)C)C2)C1 1779168271 CTKKPRBFODUEFR-AHBLATNWSA-N 433.509 0.764 50 20 ICGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780096713 GBPQZHYTMIWICX-DYESRHJHSA-N 448.476 0.962 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781214020 OAJFBVRDOAKHGP-KBXCAEBGSA-N 429.926 0.946 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781225129 UHVTUJJSNDIADQ-CVEARBPZSA-N 434.280 0.858 50 20 ICGD O=C(c1cnc2ncccn12)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329971 OWGMTHCJGNBWPC-LRDDRELGSA-N 426.246 0.863 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1O 1781644964 FQPUGCMRSCAEHJ-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1781858170 GISKBVNUFAJUFD-BZNIZROVSA-N 426.297 0.463 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783933027 BGEFVAJXASPANC-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981693 GSXSCNDAUBHZNS-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc[nH]c2nccc1-2 1787326975 MMEDRWWYPDVJFH-YSSFQJQWSA-N 448.288 0.101 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21)[C@@H](F)Br 1789925037 LWPCIRVEWMIQPD-USXUVBGUSA-N 447.261 0.231 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789941119 OEBIGESPDSLORF-QTVXIADOSA-N 430.343 0.618 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791058161 RUMZLFVMMZBGGP-VGWMRTNUSA-N 432.359 0.472 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCC(F)(F)CC1 1793159998 BFESJJGWSCQVMW-ALXJQNPVSA-N 436.264 0.395 50 20 ICGD O=C(CC12CCCN1CCC2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191683 NYDLVTDCNBPHJI-ACDBMABISA-N 425.338 0.637 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2cnccc2c1 1796978207 SDBCBPJOPJBKOX-VTYHHJSWSA-N 445.284 0.432 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Br)c(=O)nc1O 1800165187 LFYVHYHLAGOKAB-LSCVPOLPSA-N 431.262 0.586 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)c1ccco1 1800241671 KTIKKJXAHPOXAV-FVCICTRLSA-N 428.436 0.334 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804089878 MSQQAXUDZIESGV-HNAYVOBHSA-N 447.568 0.491 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2 1804433958 HTSSGNXSMHDYPF-ZUDIRPEPSA-N 434.896 0.928 50 20 ICGD Cc1ncc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)[nH]1 1806277011 FABOWHIQRAFSKC-UHFFFAOYSA-N 425.493 0.875 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362853 KEPQHTDDDUPDOH-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccncc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363248 BHBWKWKAZINYNK-REWPJTCUSA-N 444.300 0.719 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807365686 WFBLMMBGZSOCJB-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CCC=CO1 1810259294 WNVHYHLCPRBRKI-TYPHKJRUSA-N 435.289 0.774 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1812323779 JFGSQDXBSJSCKU-URLQWDBASA-N 433.896 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)C(Cl)Cl 1813076441 QRTXQXQDZOXMGA-WCQYABFASA-N 439.236 0.616 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C(F)(F)Cl)[C@H]1c1cccnc1 1813212291 UVWMABDZMBNWOP-GOEBONIOSA-N 437.639 0.913 50 20 ICGD CC(C)O[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357067 XQBDKAKXURULRL-SWLSCSKDSA-N 431.323 0.862 50 20 ICGD O=C(Cc1cscn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815514366 QDDVKXUDSMSKNB-ZDUSSCGKSA-N 442.331 0.748 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(=O)N(C)C)n[nH]1 1817172905 VRUXWMDHZUMHKO-AQXNZCSYSA-N 442.480 0.624 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469817 FAFFUGSKBXWUGQ-GUYCJALGSA-N 441.297 0.310 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471614 TWIVCLWVZBQCRI-KRWDZBQOSA-N 427.314 0.784 50 20 ICGD Cn1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1822834005 NFQCSLMAUMZYJJ-GOSISDBHSA-N 436.281 0.372 50 20 ICGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCCC1 1829970627 NSOISNPRWZVPNV-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1830543331 PZQACRLEQLFMPB-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2c1 1830735486 HTUJRXCXLGMPIW-OXJNMPFZSA-N 447.879 0.104 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(N)=O)CC1 1831405051 HXRPGVUDXUGQOC-QGZVFWFLSA-N 430.509 0.184 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832117217 PAOJMMNEPONWNG-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799801 BSWQITGUQLVIEB-HXUWFJFHSA-N 449.788 0.959 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821604 PKDZCVHDHSLQHP-HNNXBMFYSA-N 433.328 0.702 50 20 ICGD O=C(CSc1ncccn1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834863610 OSKWARNBIOPWME-MRXNPFEDSA-N 441.985 0.740 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836624513 MFURHGIZPMEAEA-UHFFFAOYSA-N 448.004 0.537 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1837712996 CFLXUHPGGMWMON-IBGZPJMESA-N 443.573 0.137 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838536644 ZYQBXRUAYNJHCG-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839148179 PPGYVWXQUIHNQJ-LIRRHRJNSA-N 439.875 0.956 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839684918 YJDQEJOMDRAYNH-HNAYVOBHSA-N 446.573 0.856 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839962411 DCTRRRGJGQDFRY-QAPCUYQASA-N 443.342 0.821 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839963025 XTXYMQYNACAIKG-CXAGYDPISA-N 429.315 0.962 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1839966944 UVQFMKAIOANMEV-ZQIUZPCESA-N 444.330 0.469 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840187763 VOSTTYSBEPHNKQ-JXFKEZNVSA-N 442.343 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840454736 QPJPLOFOOBPHOS-KNBMTAEXSA-N 441.912 0.559 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840746303 YOMKNLNWNWWYLG-UWJYYQICSA-N 448.907 0.746 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010658 PHWBPFZAFICKSW-NRFANRHFSA-N 433.317 0.240 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1843415733 GLJLJLDSDRLJSF-ZVHZXABRSA-N 440.460 0.347 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3ncsc3[nH]1)C2 1844264564 INPSCPGUAONWKD-UHFFFAOYSA-N 425.474 0.754 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccnc3ncccc23)C1 1845633730 AMWUSBMQQLKCOM-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)O1 10259334 LMSUVDZUQZECRF-OKILXGFUSA-N 440.570 0.812 50 20 ICGD Cc1ccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1F 725870948 VVKSGMDVXLNHSL-UHFFFAOYSA-N 431.424 0.656 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882856 DRKCHCDHSXMNAN-WQRHYEAKSA-N 426.481 0.016 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)COc3ccccc3F)cc2)NC(=O)NC1=O 726283370 YHHFFJXNGSXWEJ-FQEVSTJZSA-N 429.408 0.790 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728855981 KXXZYSGNSIVUSB-UHFFFAOYSA-N 432.502 0.881 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731749728 ZFHFJZNLGJEQHR-UHFFFAOYSA-N 434.821 0.532 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc(OC)c1OCC(N)=O 733110149 DDJCYSYFEDKSPJ-UHFFFAOYSA-N 439.428 0.828 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1cnn(-c2ccccc2)c1 733335752 BDCCMSFQGNJBKP-UHFFFAOYSA-N 432.404 0.137 50 20 ICGD COCCn1cc(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O 734825299 YIOMOJWZERYYKK-UHFFFAOYSA-N 437.497 0.838 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)COCc1ccccc1 738545739 NKKSXKOGZZDYPJ-UHFFFAOYSA-N 449.485 0.490 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)Cc3ccc(F)cc3)CC2)cn1 741278971 XNYLZQGEINHOBU-UHFFFAOYSA-N 438.485 0.285 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743300894 MWBHIJOIFXAMKU-MUIFIZLQSA-N 432.502 0.955 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 744713870 PDADGVBYSJLDFQ-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)c1 746093553 RBNGJAAKEQRQPB-GOSISDBHSA-N 448.501 0.588 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nc1 747594751 WDIPIVUWJXVBLW-HNNXBMFYSA-N 440.526 0.174 50 20 ICGD CS(=O)(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 747624535 NYPLPWUDHRLILP-UHFFFAOYSA-N 428.536 0.612 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747719230 JQSDGQSSBKFELV-UHFFFAOYSA-N 427.417 0.033 50 20 ICGD O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)C1 748214738 ITZANCHOUYSVMN-SUMWQHHRSA-N 445.453 0.437 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCc4nnc(C)n4C3)CC2)cc1 750789232 SOOYYLNBPCFJOY-IBGZPJMESA-N 425.537 0.423 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)CNC(=O)c3ccco3)CC2)cc1 750937628 ZDHNQSFZCHHRFS-UHFFFAOYSA-N 434.474 0.975 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(OCC(=O)N2CCOCC2)cc1 750938704 MBIHWCLJWPSDKG-UHFFFAOYSA-N 428.445 0.787 50 20 ICGD C[C@@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2N1S(C)(=O)=O 751208690 HZPSPSSQFNCDBR-LLVKDONJSA-N 436.515 0.650 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753968809 YBADZDQCJKBCAZ-LBPRGKRZSA-N 428.486 0.880 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(NC(=O)OC(C)(C)C)nc2)c(=O)n(C)c1=O 755891919 INWDAMXKWMJTOD-UHFFFAOYSA-N 449.493 0.463 50 20 ICGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)sc2n1 758311452 ZGKPDZUECQADGZ-VIFPVBQESA-N 428.492 0.350 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1 763463104 AJBVQPPBKTXJOH-UHFFFAOYSA-N 433.490 0.902 50 20 ICGD CCn1cnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763570429 FLELHDWGUDIPFS-KRWDZBQOSA-N 436.428 0.891 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 763682787 WPUWITNYPMVHNG-LBPRGKRZSA-N 442.428 0.970 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763865745 UHHQARBSDHGQDF-UHFFFAOYSA-N 426.454 0.826 50 20 ICGD COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1 764109987 NMBBPYOKMHLCBA-UHFFFAOYSA-N 449.485 0.911 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764153563 LTXCBWNRRVTBIK-KRWDZBQOSA-N 446.485 0.465 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)cc1Br 764217849 LTJOMBIAHBVHOG-UHFFFAOYSA-N 433.222 0.674 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CCCc2ccccc2)c1 764229641 BLEFSXLJYNBMGL-HNNXBMFYSA-N 446.529 0.886 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc(C)ccc1OC(F)F 764817172 NZFSLCBGRCUHPB-UHFFFAOYSA-N 434.403 0.884 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(-c2cccnc2)n1 766655686 XEFHTPBVDXMBDZ-UHFFFAOYSA-N 447.499 0.701 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1C 768725591 NLQKHIGOHQDXBV-BOPFTXTBSA-N 447.521 0.310 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H](Cc3cccnc3)NC(=O)c3ccccc3)nc21 770982340 GLZVRDFMAQECSH-INIZCTEOSA-N 432.444 0.948 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 775222173 IWVHAQSZETYEBD-RISCZKNCSA-N 443.298 0.936 50 20 ICGD COc1cc(Br)cc(C)c1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783428992 YYHYKKFZELKBFB-OAHLLOKOSA-N 434.312 0.903 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nccnc3Cl)cc2)CC1 784778409 ZBSWPGTZDDDJDA-UHFFFAOYSA-N 431.884 0.528 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2c1=O 793021572 FGPWUDYGDIZDOI-UHFFFAOYSA-N 446.423 0.830 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CSc1nnnn1C1CCCC1 794070536 ANEZJMWCVNGPKO-UHFFFAOYSA-N 433.494 0.954 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@H]1COc2ccccc2O1 794577883 ASTAMINKFJUOQT-GFCCVEGCSA-N 448.425 0.832 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 797369446 XOBXXVFSKLFZNI-UHFFFAOYSA-N 432.383 0.928 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 799520405 YBNRVSVQVSBPGI-ZDUSSCGKSA-N 445.545 0.932 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 801798231 RPUOHGBGKCHBOT-CYBMUJFWSA-N 443.526 0.599 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 801999363 DGPNZFZWUFDYBJ-VIFPVBQESA-N 430.437 0.835 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C)c3)c2C1 803835794 BMNGSBWYBGXQJN-OAHLLOKOSA-N 427.461 0.508 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)n1 810387069 DJNLEXQNRHLIND-UHFFFAOYSA-N 441.354 0.897 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)C2CCCC2)c1 916096329 NRIZBAIWQSEJPP-UHFFFAOYSA-N 445.563 0.836 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 918399939 UTKLNQJWXIJKCI-UHFFFAOYSA-N 446.438 0.608 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(CN2C(=O)CNC2=O)cc1 920931990 MRRMLXSQHGOTHG-UHFFFAOYSA-N 435.404 0.181 50 20 ICGD CN1CCN(c2ccccc2CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1321966362 AZQYTBQGQLESIL-UHFFFAOYSA-N 435.492 0.558 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778317255 VJFWHARWIJZXLY-VLIAUNLRSA-N 445.944 0.673 50 20 ICGD CCO/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374693 CQTYMGZDEVKGQV-FLNKPDCSSA-N 431.493 0.363 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779415622 GASKKOXBPRBSQD-NSISKUIASA-N 443.617 0.002 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccc(O)cn2)C1 1782636857 ZIZFYFMIAYKJCN-XMSQKQJNSA-N 447.536 0.217 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782699990 URBBTVJPPOTNHQ-UWJYYQICSA-N 425.574 0.167 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782961246 UZCXNKDZLXBHLQ-RCBQFDQVSA-N 427.350 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1OCCO3)CCO2 1783935037 OBLORUDPJMBVDF-QFIPXVFZSA-N 446.504 0.274 50 20 ICGD CCc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1Cl 1784086001 BIXFKBIBHDTHLX-IMIFBBOLSA-N 433.336 0.829 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1791252656 QUBRWWHDVNBFCV-MPTYRVRUSA-N 440.928 0.368 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1792867847 MVMSZVMMSYJNDS-NFFDBFGFSA-N 442.310 0.630 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)C1 1792970279 AYAHRMPVMPULMU-ZAQNNHEOSA-N 431.327 0.949 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110100 KCBSTLCLYJAWIY-PLZKBRGSSA-N 445.944 0.595 50 20 ICGD CC[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795737172 ZTZQSJNGMFOCMW-DWJOAWOOSA-N 428.338 0.786 50 20 ICGD Cn1ncc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)ccc21 1796191542 VXQSOQBVAIAPLG-ACDBMABISA-N 432.289 0.819 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ccccc2o1 1796967663 ZZIJNOQWGYTKSN-UPHUGPLXSA-N 434.257 0.630 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799273787 HXPCAGIMEYUFTN-DJUFWWRVSA-N 429.366 0.493 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800643228 MYOBXLZEFXLNJQ-DMVWFOPNSA-N 441.326 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)CCO2 1800689471 KPDNONRUZCUFTQ-FEJSZKPUSA-N 444.532 0.127 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1800979554 OZILBAQPOJZITD-JBXGNFEISA-N 438.912 0.043 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)F)no1)C2 1801013319 NTJUFYKPBLGUIU-CULMDFNYSA-N 429.424 0.188 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1805382516 FEXYXQPEEOGDCU-STQMWFEESA-N 443.342 0.847 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806688190 PLQSYYRXXHDOIZ-CYBMUJFWSA-N 443.342 0.800 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807375253 NONJJEKKADRFKN-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD N[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)c1ccccn1 1809790421 LVCVELPIYQKUKY-HXUWFJFHSA-N 436.321 0.306 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)C1 1809976530 BCQPPOCNTAIKMF-NRFANRHFSA-N 436.317 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812494517 XOABSPBKKHKWKO-XUWVNRHRSA-N 429.926 0.264 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067754 BVTGICJMKFNLKB-QLVMHMETSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(F)(F)C(=O)O)n[nH]1 1818027319 CNOPSNABMMWOSF-GFCCVEGCSA-N 444.439 0.885 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820026512 NFIGQGPKHYRBKB-CMPLNLGQSA-N 435.872 0.858 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 1822414872 MMYPSDCHEHODSA-GFCCVEGCSA-N 447.456 0.720 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)no1 1822697208 ZSKQSMWUSIMZFY-GOSISDBHSA-N 437.265 0.935 50 20 ICGD O=C(CCN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1823569124 MAXUNVDBTRWXEX-LJQANCHMSA-N 439.325 0.881 50 20 ICGD Nc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cs1 1827051332 SEILCNSXDZNXDF-GOSISDBHSA-N 442.350 0.952 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830358480 OEMXKSYBAHADNV-GOSISDBHSA-N 443.888 0.513 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1830366225 LIFRPEALFJLNST-RDTXWAMCSA-N 436.958 0.285 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)CC1 1830543861 GHHHBYCOQNLZON-DYVFJYSZSA-N 447.326 0.427 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831656577 GOJKEUHDFAOUSZ-MLGOLLRUSA-N 443.850 0.529 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834824155 TZYLSXLBSVUVJM-MRXNPFEDSA-N 445.270 0.778 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254295 WQBJDVSOAGMIRL-AUOONRHXSA-N 444.326 0.061 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CN)CC2)CC1 1837829225 GBLWJXAVOWPAQP-DAWOQIAZSA-N 446.552 0.714 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838069344 KZNYASLTGVKOEW-HOTGVXAUSA-N 432.949 0.686 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1838128943 VUQLUNUXUDFMAI-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)O1 1838278614 ROQXWLKSQKIUMR-VQIMIIECSA-N 438.569 0.926 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)nn1C 1838279473 CJFTXWCXPXSBMO-KXBFYZLASA-N 428.917 0.306 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838637668 XGVXYJMPKUXPBH-HNNXBMFYSA-N 431.917 0.545 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839590989 WXFRTWYUHCQKIJ-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840030323 IOTDZYWRYPDXCX-GUYCJALGSA-N 427.299 0.259 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)CC2=O)c1 1841007563 MCYGEBKANSRDIK-PBHICJAKSA-N 435.908 0.851 50 20 ICGD Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 18995437 UKJKINRDWFQABN-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 725874396 YAIUSJIMONZVAB-UHFFFAOYSA-N 435.428 0.609 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 730274410 JSMHZSQYDHVIBA-UHFFFAOYSA-N 435.444 0.773 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 730821063 MBMTWQZXOHHLDW-CYBMUJFWSA-N 435.550 0.898 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1 730827141 VTNNMBDDZRRWIO-UHFFFAOYSA-N 425.489 0.794 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 732549269 QQDOECBSNMVCGG-UHFFFAOYSA-N 429.499 0.282 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)NNC(=O)C1CC1 733193566 WWWCYFZVFXQKMJ-UHFFFAOYSA-N 445.339 0.313 50 20 ICGD CC[C@H](NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccs1 734377923 XKILNCGQFRHCNV-VIFPVBQESA-N 428.565 0.279 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccccc1C#N 735586763 OXVUOZHJAQEXAS-QGZVFWFLSA-N 437.504 0.873 50 20 ICGD O=C(CN1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1)NCc1ccccc1 738497418 UIRQHPNRZWNKCJ-UHFFFAOYSA-N 439.516 0.878 50 20 ICGD CNC(=O)c1cccc(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 740920274 KFDQYWFECVIAKZ-UHFFFAOYSA-N 432.506 0.526 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(Cc3ccccn3)nn2)c2ccccc2c1=O 742474384 GGFBPHAJKSGDST-UHFFFAOYSA-N 432.444 0.916 50 20 ICGD O=C(CSCc1cscn1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 746858300 VYSCIENLOVISBD-UHFFFAOYSA-N 433.559 0.982 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccccc1CN1CCC(O)CC1 749587984 BXOQQTZFEIXNRD-UHFFFAOYSA-N 429.477 0.497 50 20 ICGD COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 751169472 FWKKOUFZUNAPKB-UHFFFAOYSA-N 435.414 0.943 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751202395 SEGVPNPWKLNVCM-UHFFFAOYSA-N 440.453 0.639 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 751203522 QRLXSCUSWQCPPC-UHFFFAOYSA-N 442.472 0.865 50 20 ICGD C[C@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOC1 754010216 NPLCWVACVHWIEM-IBGZPJMESA-N 425.507 0.214 50 20 ICGD CS[C@@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 757096701 UFQADVJLLSJPMI-HNNXBMFYSA-N 428.580 0.590 50 20 ICGD CN(c1ccccc1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(C)(=O)=O 757662282 XVYLRGFSVRUUSV-UHFFFAOYSA-N 447.521 0.942 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCc1ccc2c(c1)CCS2(=O)=O 757751021 KWLAZNBKTLZUSU-UHFFFAOYSA-N 434.430 0.834 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2cnn(Cc3cccs3)c2n1 758056861 UBAILRFWXVTJKR-NSHDSACASA-N 436.519 0.548 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 759681412 YEIORMPVFFZCSF-MRVPVSSYSA-N 444.329 0.095 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 760441736 DKPXIKSSHKQDEN-ZDUSSCGKSA-N 428.511 0.724 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)cc(F)c2)cc1 763737207 PJQHNVQRXHVODI-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 763795663 DYRBPPKCYROSOT-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 763823218 BQAXDBYMIZJDMN-UHFFFAOYSA-N 434.338 0.267 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)c1=O 763860538 GGTQGIWKAPGOKM-UHFFFAOYSA-N 433.428 0.381 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F 763917339 UZUFSWHYGXXHSE-UHFFFAOYSA-N 449.349 0.845 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764245364 RDCHTDIBRHNYMB-UHFFFAOYSA-N 427.442 0.857 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(OCc3ccccn3)c2)n(C)c1=O 764813261 XCNDGDVRPUQLKZ-UHFFFAOYSA-N 447.455 0.558 50 20 ICGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 765522525 OVTNPOSKJQVMQY-LJQANCHMSA-N 435.527 0.794 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCCS2(=O)=O)c1 771846078 NFOSOQUWVCJWRL-OAHLLOKOSA-N 431.536 0.445 50 20 ICGD Cc1ncc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 772618803 OFLYXMLQCPTJBA-UHFFFAOYSA-N 439.567 0.651 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 773862483 WKFANXPGPCAUMI-UHFFFAOYSA-N 432.915 0.480 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)COc2ccccc2C#N)(N2CCOCC2)C1 775159403 PUXYSGFAEHAJHD-UHFFFAOYSA-N 431.493 0.537 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3c(O)ncnc3cn2)cc1 778294863 UZQHRQQFQOBDEY-UHFFFAOYSA-N 430.446 0.121 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781920115 KYPPAXMMZQOEEZ-QMMMGPOBSA-N 438.412 0.658 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 784842718 VWSYUADIOMSFLP-LFVJCYFKSA-N 446.489 0.985 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnnn1C1CC1 790724274 GPXGCXAKMHWIOQ-GFCCVEGCSA-N 448.509 0.498 50 20 ICGD O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 790999883 YWPZSCPERNNTOE-UHFFFAOYSA-N 430.352 0.868 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(Cl)cc1Cl 793449039 XRJGKSLNPFPAEI-ZETCQYMHSA-N 434.261 0.855 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)CCc1ccccc1 800064068 NIKIIZCHNPQIKA-UHFFFAOYSA-N 429.502 0.865 50 20 ICGD O=C(CN1C(=O)c2ccc(Cl)cc2S1(=O)=O)NNC(=O)c1cccc([N+](=O)[O-])c1 800842735 VKDLGUPJHFNVBR-UHFFFAOYSA-N 438.805 0.854 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 803469877 PZUUQVWEAVPBFI-QFIPXVFZSA-N 436.424 0.269 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)N1CCN(c2ccccc2)CC1 812454128 FXNJOQAZSPAKRE-UHFFFAOYSA-N 434.456 0.688 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2ccc(OC)nc2OC)c2ccccc2c1=O 812615652 NEKKEQJLJXIVQM-UHFFFAOYSA-N 426.433 0.973 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)COCc2nncn2C)c2ccccc2c1=O 814733363 GDXVGIJTKKOSNK-UHFFFAOYSA-N 427.465 0.693 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC1(C#N)CC1)c(=O)n2Cc1ccccc1 814888974 BOBIFSOBRCMMOH-UHFFFAOYSA-N 449.471 0.269 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc(C(=O)OC)c1 815566578 YHSLRGYAQFRQEK-UHFFFAOYSA-N 433.392 0.924 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cn2)CC1 815568726 RPBROALVLJHYJD-UHFFFAOYSA-N 444.448 0.282 50 20 ICGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692541 UCEFGOSEWORYTC-VIFPVBQESA-N 439.245 0.837 50 20 ICGD C=CCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 915269763 ZCNHPTCWIAJUFX-UHFFFAOYSA-N 444.535 0.538 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)C(=O)C1=O 916107524 QFBDQQZENOLLIZ-UHFFFAOYSA-N 442.447 0.856 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1S(C)(=O)=O 916133276 BXOCLHXOQDOGAR-UHFFFAOYSA-N 445.906 0.774 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCN(C)CC1 916258143 LHNSMKLRKAAWAB-KRWDZBQOSA-N 425.555 0.306 50 20 ICGD O=C(COC(=O)Cn1c(O)nc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 917273656 CCNGCPYRPYSZIH-MRXNPFEDSA-N 426.385 0.273 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)c2ccccc2c1=O 918202027 FSMVRILUIGASHI-UHFFFAOYSA-N 449.533 0.773 50 20 ICGD O=C(NCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 919788914 WSBTVNJQSSLOFU-UHFFFAOYSA-N 434.412 0.818 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)CCOc2ccccc2)CC1 1337589474 VOFHKDBPPRCZMS-MRXNPFEDSA-N 437.518 0.276 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1779033782 DURUNCPAWMZZMT-NRFANRHFSA-N 427.461 0.354 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782740027 IKFLTXOJEFRMOK-DYESRHJHSA-N 425.574 0.214 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783828253 WCAZEYHZDBKPOT-PBHUNFFMSA-N 431.493 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1783936288 LXBQOYLBJDLZMR-HXUWFJFHSA-N 435.550 0.837 50 20 ICGD COc1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ccn1 1784085379 IDMFQHDQGSIFCU-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712490 QSEYSEWZFGQJQJ-AVYPCKFXSA-N 445.944 0.985 50 20 ICGD O=C(/C=C/c1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785404206 IWPKDVVPWVPKIF-ZWNDJTGOSA-N 440.330 0.735 50 20 ICGD N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786984821 NIWLCXUONDZAFH-JBACZVJFSA-N 433.273 0.145 50 20 ICGD Cc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610494 WKZQWDVATYZMPN-OWQGQXMQSA-N 443.529 0.962 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)cn1 1788862888 LLQJTXPSZRMEED-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)cn2[nH]cnc(=O)c12 1789175829 KWNDNYSFTGCKJM-NHULGOKLSA-N 425.848 0.459 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789770755 BCNRPOFABUVSKU-QQCJEOGWSA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccoc4cn3)C[C@@H]21 1791293755 HXPYMISIEGEYNI-BXWFABGCSA-N 443.504 0.794 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCSC3)[C@H]2C1 1792199249 PLLIUFFLCBQDAD-DACLVMHWSA-N 447.561 0.422 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1792872165 OYIWPTCMQHIQFK-MVERIQSTSA-N 435.315 0.223 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1cccc(B(O)O)c1 1793493068 AIPCBZCKLAAXBJ-IIZPIQPGSA-N 447.300 0.811 50 20 ICGD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793958983 UFHPSAKZCWBFSU-NEBZKDRISA-N 443.273 0.092 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1scnc1C1CC1 1794507286 HUYSAASAOZJXNX-SCAQPMJSSA-N 441.318 0.217 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795736748 FEKBXVMDHGUQOW-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(N2CCOCC2)cc1 1796489193 GQEPEGKUYNTMOC-NBMJBFSESA-N 437.924 0.326 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)[C@@H](F)Br 1796888414 YYSXKTDUZCCISA-GFQSEFKGSA-N 440.335 0.741 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1797957734 ZGSBJEMLZCXTKM-RMFSNUHRSA-N 446.624 0.825 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1801011787 DESKLSSOPLBOSZ-YVWYUNDQSA-N 447.923 0.788 50 20 ICGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1802229163 NXFHOIYBYHBJQO-KPEUIFRASA-N 440.880 0.041 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1803017283 FNWGSWJHPYJKBQ-KYOSRNDESA-N 426.315 0.787 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1806911081 FRTFMQWZZNMBRS-NSHGMRRFSA-N 437.972 0.325 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369605 PUVPGTZLQPWMHL-UGKGYDQZSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376200 XIKCTTZBMKDXDM-SSXICUSMSA-N 449.316 0.649 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809660869 CKYROYUICIGGDD-UHFFFAOYSA-N 435.534 0.794 50 20 ICGD NC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)c1ccccc1 1809976593 JEXJHYCRDPDWAI-JOCHJYFZSA-N 449.360 0.954 50 20 ICGD O=C(CCc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822821312 BQOUPXJSWXPYGX-IBGZPJMESA-N 448.292 0.818 50 20 ICGD O=C([C@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975043 NQERWFXWHDSNOT-RDJZCZTQSA-N 437.965 0.871 50 20 ICGD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080401 IUACYRCGUNHUHA-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720058 RVRFDUGQKRZIGI-QFBILLFUSA-N 441.868 0.193 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831643753 GOGDEJYTLYJSDN-MGPUTAFESA-N 425.913 0.863 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccn(C)c2=O)CC1 1831871143 NYPKJSNPGBUJOG-LJQANCHMSA-N 445.564 0.992 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831888966 LHOZWAOADDURHU-UXHICEINSA-N 448.394 0.714 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832522492 FNVUDBDJMFQVMV-AEBIURJHSA-N 432.945 0.495 50 20 ICGD C[C@@](O)(C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1833308592 WGXXCYSMYRDBAT-CZUORRHYSA-N 429.867 0.471 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819543 VIRWVZOIYFDUGO-MAUKXSAKSA-N 443.342 0.761 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412799 VTMMZQRTWHYSTC-OAHLLOKOSA-N 447.353 0.088 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccco3)CC2)CC1 1837392843 NCHKWHYTCDWDFY-UHFFFAOYSA-N 426.278 0.885 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837641597 UGYXQEKIOWWELH-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839353279 ZMVFOBNQURWFAZ-YJBOKZPZSA-N 445.831 0.404 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1840152274 CYDSCZZBYDOHRB-SUNYJGFJSA-N 446.957 0.654 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)cc21 1841351741 BCHHODBRRJPNBZ-KRWDZBQOSA-N 443.891 0.914 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnccc2C(F)(F)F)C1 1842426160 MHJVSJHNCPSOQT-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1844691952 RUZJTTBUSSZPQI-UHFFFAOYSA-N 446.416 0.789 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3Cc4ccccc4C3=O)cc2)CC1 730031163 FAXYPOWVNXJJGY-UHFFFAOYSA-N 443.529 0.722 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)CN1CCC(=O)NC1=O 731956958 NZWPJWUWKQWYPC-UHFFFAOYSA-N 426.429 0.734 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c2ccccc2c1=O 732594674 FULNHWQUDZDFLL-ZDUSSCGKSA-N 449.471 0.255 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2ncn3nccc3c2=O)ccc1OCCC(C)C 732751187 KJQOEFXBYVVFTR-UHFFFAOYSA-N 428.449 0.786 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734674370 UFDVTRPJNWYOCR-JTQLQIEISA-N 428.417 0.910 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 740852794 HDWUGDSLUPYPEE-CYBMUJFWSA-N 442.513 0.679 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 744928833 YAUYHUVAALXHSW-UHFFFAOYSA-N 447.469 0.308 50 20 ICGD C[C@@H](CC(=O)NNC(=O)Cc1cn2ccccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 746641602 PWPNSJQHUSKDLC-ZDUSSCGKSA-N 440.485 0.542 50 20 ICGD O=C(COC(=O)CN1C(=O)CCOc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 749674470 MEKFLQJJZSVHOE-UHFFFAOYSA-N 442.384 0.715 50 20 ICGD Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 752598075 SIYLUZZCFVPHNR-OAHLLOKOSA-N 441.400 0.528 50 20 ICGD CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 752723001 HMPDWPMWZXGSPE-SECBINFHSA-N 433.437 0.042 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)c2ccccc2c1=O 753026023 SCUKZQPOEFJVHU-UHFFFAOYSA-N 435.506 0.746 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c2)CC1 761073331 VDAQBDJUYVPDHL-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCSC1 763385860 HQXSNBULVWIUSR-OAHLLOKOSA-N 426.564 0.669 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 763647051 MIIJSQQKXXOORA-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1 763664942 OFSSDCFBSOSKNK-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763675432 WGASZQJSUFNMEG-UHFFFAOYSA-N 446.423 0.688 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1 763858006 QCOLNEDZSNVLGK-LBPRGKRZSA-N 449.439 0.874 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)cn1C 763876005 CDUTZGXDYLHIQT-GFCCVEGCSA-N 430.417 0.568 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 764111935 TYCWNWGXQGTCQO-UHFFFAOYSA-N 438.448 0.649 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764328804 AHBYUUQIONLTAG-RRCSTGOVSA-N 434.399 0.463 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 764401911 ZDLPCZHXKIUAAW-JTQLQIEISA-N 427.845 0.007 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 764434582 QRWMKEBNIWWTSV-MRXNPFEDSA-N 430.486 0.812 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1ccccc1C 764674182 WBQGRWXXJRNOOQ-UHFFFAOYSA-N 426.477 0.842 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCC[C@H]2CCSS2)n(C)c1=O 765722058 SQQMWYZNZYMYSK-NSHDSACASA-N 440.551 0.295 50 20 ICGD Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)[C@H]4CCS(=O)(=O)C4)c3)cc21 771821644 LAIKTIOPXCVFJF-ZDUSSCGKSA-N 429.458 0.537 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(F)cc(C(F)(F)F)c2)n(C)c1=O 772844150 LDSUTQNKHDWWSW-UHFFFAOYSA-N 426.330 0.742 50 20 ICGD CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(CC(=O)NNC(=O)C(C)(C)C)C2)C(=O)C1 776839524 RITZMNKYLNTPKZ-HNNXBMFYSA-N 439.557 0.724 50 20 ICGD C[C@@H]1CSCC1=NNC(=O)C[C@@H](C(=O)NN=C1CSC[C@H]1C)N1CCOCC1 794911902 SYSJVKPCQUWWMY-IOASZLSFSA-N 427.596 0.788 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C(N)=O 796991669 GRYYBUVJOMNROH-UHFFFAOYSA-N 428.401 0.701 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)N1 806972198 KZEAQZJNBPTDAS-UHFFFAOYSA-N 433.764 0.979 50 20 ICGD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806978347 XJGOIVLNMDDPLL-CQSZACIVSA-N 439.538 0.399 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 807233281 BVBLCJBJYKYIGP-UHFFFAOYSA-N 444.857 0.948 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033721 IMCLSHQYNJYFFS-UHFFFAOYSA-N 449.489 0.387 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCS(=O)(=O)C1 815590243 PETAWSGIQZLYIR-OAHLLOKOSA-N 431.312 0.858 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816817930 NHUHNSDEWKAIOE-ZDUSSCGKSA-N 437.460 0.672 50 20 ICGD Cn1cc(-c2nc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cs2)cn1 916133263 BIOOGSOFNCHGQB-UHFFFAOYSA-N 440.894 0.919 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 920346810 DUSPHKICSMYVNK-GOSISDBHSA-N 428.493 0.939 50 20 ICGD O=C(NCc1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 920832467 SGSAHUNINSIMPN-UHFFFAOYSA-N 428.492 0.757 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 1160865533 PJISBNOXFRJCSA-HNNXBMFYSA-N 449.508 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777709952 REQBKCSULPZTIJ-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029831 AFCJMPFWWNHIBZ-IBGZPJMESA-N 430.490 0.207 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378265 JFLAMGKEPFZWEK-MEBBXXQBSA-N 430.259 0.792 50 20 ICGD CCc1nc(C(=O)N2CC[C@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)co1 1779705036 RXKYUXADPPSKMQ-JHXRPTDYSA-N 442.476 0.815 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2NC1=O 1780176947 NUQBKLABQNNFER-PGICJIBASA-N 437.880 0.449 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1780195899 ZUOGORDYSXPCIJ-KBXCAEBGSA-N 443.840 0.352 50 20 ICGD CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780808165 UTSFILCRRKZPRF-CBGDNZLLSA-N 439.557 0.674 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781008686 UBXUCNBXTKCZQY-DEOSSOPVSA-N 447.300 0.534 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@H]2C=CS[C@H]21 1781531100 YYSDKBCBEVZFOI-ACMVSEJYSA-N 442.346 0.369 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214611 WRIGPAZNYNAMDC-AQOAWAETSA-N 448.568 0.639 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096353 DVEHJDKFQJOXQH-XNJHUCFUSA-N 437.924 0.384 50 20 ICGD CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1786343711 GCOPZMMHRHZPTQ-AJNGGQMLSA-N 431.917 0.687 50 20 ICGD COC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506569 IBGOYBZHHCRAJW-BLSIWXNBSA-N 433.509 0.383 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1788765065 GPDKUQDSVOZEQC-BPUTZDHNSA-N 434.569 0.625 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790963638 JEQLGUNIBJGVFX-XQLPTFJDSA-N 447.374 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1791254998 YKKWOSVZJPVYLM-AYDFFVQHSA-N 426.901 0.513 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21 1791293723 FAXXAVBDJSMVFI-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2)[C@@H](O)CCl 1792983536 MANWJRFPAOJDFC-LAKNTTSMSA-N 433.892 0.086 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796029370 AUWRBYBFAVRXJK-DRXBFXEBSA-N 444.404 0.155 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[S@](=O)c1ccccc1 1800209599 IJOXFENGGRAXLT-CBGKQBGISA-N 428.938 0.372 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1805909472 VTGPPHUMHBCSGT-LAUBAEHRSA-N 441.536 0.991 50 20 ICGD C[C@@](O)(C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C(F)(F)F 1806478933 CNWLVIHWOJVTHP-GOSISDBHSA-N 442.243 0.525 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810297297 BKUHZZSGUVPJCP-BEFAXECRSA-N 448.487 0.447 50 20 ICGD COC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354777 CWPJOWMKVGUZNO-CYBMUJFWSA-N 431.279 0.002 50 20 ICGD O=C(CN1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817134010 RHXFSHNSUJBOJK-LJQANCHMSA-N 439.325 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSC(=N)N)n[nH]1 1817303954 NGJAVOBSIBFCIV-ZDUSSCGKSA-N 438.558 0.792 50 20 ICGD CC(C)O[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820005466 TZIDXVQIBSKZEY-SWLSCSKDSA-N 431.323 0.862 50 20 ICGD O=C(CCN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1823569230 PMOJBXYCUXHLLA-IBGZPJMESA-N 439.325 0.881 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)C(F)(F)F)CC2 1826009582 VGHJBRHUQHIOQD-HTQZYQBOSA-N 442.847 0.987 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1826999834 GRHSRLLUPYDXBJ-GOSISDBHSA-N 426.282 0.342 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1827137738 FSGMOEIVGOIHGD-NRFANRHFSA-N 438.337 0.576 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830357516 DIJRNHFBCYVSFY-GOSISDBHSA-N 428.873 0.223 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1830537142 CAQBSLJKKZKSJV-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1O 1830732972 CSMPBHOPELDKRH-MGPUTAFESA-N 442.896 0.461 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831656319 CYQCFRUGYKSRFV-HNAYVOBHSA-N 432.949 0.223 50 20 ICGD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n(C)n1 1833312504 PQWAVPRGJSGNNP-SFHVURJKSA-N 425.961 0.767 50 20 ICGD CN(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cn1 1833312614 SJTOGUNTHLNTIP-SFHVURJKSA-N 437.972 0.933 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833979210 BYXLOBAFSRMYKI-CXAGYDPISA-N 427.299 0.720 50 20 ICGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834655645 QFDCIHXMMRQOFG-ZDUSSCGKSA-N 438.367 0.875 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834689351 HSOUIHWVQMKRRZ-KKSFZXQISA-N 438.617 0.304 50 20 ICGD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834718525 AXWJJSYHMWXNIA-ZXSWEOGUSA-N 433.411 0.917 50 20 ICGD O=C(c1cccc(F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837908162 RJOPMSLRUQIKTH-BBRMVZONSA-N 434.237 0.981 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838357611 FMKZXXPVGLOJRW-CQSZACIVSA-N 440.324 0.853 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839152140 OXYCRUOJFYMQGN-MSOLQXFVSA-N 433.336 0.655 50 20 ICGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152382 XYGATJWJQXAFLE-DLBZAZTESA-N 427.325 0.342 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203816 XRIUNQHAUGBHJL-RHSMWYFYSA-N 446.273 0.355 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1839966332 AZEYEAXAPGBMNX-RVSPLBMKSA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840036064 DCFUMPMWQQXXPB-SUMWQHHRSA-N 429.315 0.202 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840036106 FLXBJCAWUIRJQQ-DYVFJYSZSA-N 443.298 0.095 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)CC2=O)c1 1841349013 ZDSCJUSYAJCRJS-YOEHRIQHSA-N 435.908 0.851 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)cc1 1845938230 AFMRVOUTYMXPDN-MRXNPFEDSA-N 428.938 0.826 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14057337 YLCZZSKSRLEIGS-UHFFFAOYSA-N 428.470 0.825 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc(C)cc(C)n3)cc2)CC1 14512889 BDQITTPNTYDJDG-UHFFFAOYSA-N 432.506 0.703 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cnc12 16226041 YGGUXBCHVVMEKC-UHFFFAOYSA-N 443.485 0.416 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2[nH]nc(C)c2Br)cc1 108786156 HCHXKPUPJJRCBN-UHFFFAOYSA-N 444.311 0.871 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 725871798 GQNZZFFRLJQYNK-UHFFFAOYSA-N 428.449 0.007 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 728509924 SCZDROVYKFFJHK-VIFPVBQESA-N 439.462 0.463 50 20 ICGD COCCCOC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 743509436 CKIBHFZCFWCFQY-UHFFFAOYSA-N 427.527 0.852 50 20 ICGD CCc1nsc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 743510930 FPLUIMUZOCUYLL-UHFFFAOYSA-N 428.482 0.253 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1 744394903 MLTKVAGFTDZIBP-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746641046 LEJCGZVKCXONKF-UHFFFAOYSA-N 445.501 0.792 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1OC 747726830 GSDKJEKCDNZVFJ-UHFFFAOYSA-N 441.444 0.423 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCNC(=O)Cc2cccc(F)c2)nc2ccccc21 749013858 ANFYJKIASCBURP-UHFFFAOYSA-N 426.452 0.944 50 20 ICGD CC(C)(CCC(=O)NNC(=O)Cc1ccccn1)C(=O)NNC(=O)Cc1ccccn1 749379773 FMLHDELRHOVNPC-UHFFFAOYSA-N 426.477 0.363 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc(S(=O)(=O)N(C)C)c1C 751209882 VXQBFDUVSQSPJZ-UHFFFAOYSA-N 438.531 0.806 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n[nH]1 755421547 GBDYTPYWVFWZPN-CHWSQXEVSA-N 436.494 0.983 50 20 ICGD NC(=O)CSc1ccccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 756131278 RRIFINOQXORJCB-HNNXBMFYSA-N 445.453 0.408 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 756292674 DALABUYZWCDVEO-HNNXBMFYSA-N 447.492 0.704 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 758048281 RMTAELOXLCXGFZ-YVEFUNNKSA-N 431.470 0.840 50 20 ICGD COc1ccc(CC(=O)NNc2ncc(F)cn2)cc1S(=O)(=O)N1CCOCC1 760905782 GBHMAKBAMQLVJP-UHFFFAOYSA-N 425.442 0.331 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 762351772 YILAZJCIBLPSNB-UHFFFAOYSA-N 443.485 0.503 50 20 ICGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cc1 763482834 LAGXMONCUWZJOL-UHFFFAOYSA-N 435.234 0.713 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1cc(C)oc1C 763586557 ONJICTVADZXYTH-UHFFFAOYSA-N 444.444 0.777 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cccc1OCC(F)(F)F 763998530 PQQBDKZOZZPQCC-JTQLQIEISA-N 437.396 0.457 50 20 ICGD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764286596 YJRTXJAGEVILCE-UHFFFAOYSA-N 442.476 0.763 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 764352608 WGERORHZQPXABG-UHFFFAOYSA-N 438.531 0.934 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 764385929 PWHLVRAZEZAORQ-UHFFFAOYSA-N 431.474 0.573 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)ccc1S(=O)(=O)N1CCCC1 765391936 JDACDDPPDMBDDO-UHFFFAOYSA-N 442.494 0.974 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768230443 FTTVONOJHOSICC-UHFFFAOYSA-N 439.407 0.844 50 20 ICGD C[C@@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 770973259 ZCLBUCFOBRALKF-VIFPVBQESA-N 430.450 0.029 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@H](C)O)cc1 779497755 CKTNPWLYBHXPLN-NHYWBVRUSA-N 426.882 0.532 50 20 ICGD COc1ccc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)nc1 781528260 YDHGOGILBBTLPC-HNNXBMFYSA-N 442.519 0.315 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 782538659 GWWRDKKNUGJGJT-KRWDZBQOSA-N 434.474 0.607 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2F)C[C@H](C)O1 784000279 XMCZKNBJUHHLQT-STQMWFEESA-N 435.456 0.148 50 20 ICGD CCOCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002300 CGRWFDPRBCWCMH-UHFFFAOYSA-N 426.857 0.464 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2ccnc2)nc1 784216980 RVGOHCHMEACIPV-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD O=C(NNc1ncc(F)cn1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 784949214 GYWXJUZBKJFKAA-MRXNPFEDSA-N 428.424 0.866 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNc3cc(Cl)nc(N)n3)cn2)CC1 789100597 PNCYJGYHGNVYED-UHFFFAOYSA-N 441.905 0.337 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 790044125 PUSQBDYRLOGGHN-QGZVFWFLSA-N 446.412 0.857 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc2[nH]1 792353604 POCQVNYHCZUTPN-UHFFFAOYSA-N 447.455 0.743 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 793022048 OFKOOCAQELEAEG-UHFFFAOYSA-N 425.445 0.206 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]2C1 796506283 YFMDJYIDLMDYRQ-GASCZTMLSA-N 442.480 0.815 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cncc(-n4ccnn4)c3)cc2)CC1 801929421 NKKDRUGRWFDESG-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 802331779 QMXZFFZKEBLKEK-CQSZACIVSA-N 427.417 0.468 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1 806973733 UUCNZUIZGNLLAN-UHFFFAOYSA-N 428.445 0.536 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 915188632 GJMIHBMNQAAWHB-LLVKDONJSA-N 427.504 0.952 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 916389644 CBTFCTWYNGVCDJ-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)NCc2ccco2)cc1 920855953 SAAQRCKYWFDPSW-JEZWAEDTSA-N 425.445 0.913 50 20 ICGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 921022865 QENWSVNQGMZRSH-GDBMZVCRSA-N 425.507 0.816 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCc2nnc3n2CCCCC3)c1 1252747523 FXBVGULYHYXZOC-UHFFFAOYSA-N 434.522 0.985 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1 1326396559 HGIJNSQNIUGKPX-KGLIPLIRSA-N 429.539 0.996 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778132558 NKMVQZJEPFMCRC-IVZHQMGZSA-N 447.444 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778251133 UGHLNVXNFPVGQX-GCJKJVERSA-N 430.505 0.193 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1779381974 JCTGBSMVTXOBIR-PMUMKWKESA-N 434.990 0.238 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335259 WZUOLRMQFJEFMQ-HIFRSBDPSA-N 433.234 0.081 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213985 FXQOZJDWFBFALB-HBUWYVDXSA-N 447.374 0.657 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783344259 SBXFBCOKRYSAKA-SJCJKPOMSA-N 429.315 0.598 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)no1 1783534599 WWPKSAUXSIRLFH-SJCJKPOMSA-N 443.298 0.326 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1783534624 MMWQCSVWFRWBCG-RBOXIYTFSA-N 431.356 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(F)cc1)CCO2 1783934086 XOCFSMVYRYUDSG-OAQYLSRUSA-N 436.484 0.407 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1783974909 WJRQZZBAJDIMGZ-MRLBHPIUSA-N 428.331 0.850 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)cnc2c1 1784093485 XJPCNZQCRGBRCD-HJWJTTGWSA-N 448.907 0.196 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)s1 1784690598 AEBKWYDLDMGIBO-XXIDSNJLSA-N 435.550 0.668 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611711 SYUYFDLRPICFFA-STECZYCISA-N 437.928 0.686 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1791063246 DRFIRDZMBKODCT-JURCDPSOSA-N 441.326 0.878 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791666394 NEWRZTWONFVELL-TUUVXOQKSA-N 427.343 0.973 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792615369 JPBQKQWMXAASTM-QARFVWEVSA-N 430.509 0.673 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(Cl)cccn13)C2)[C@H](O)CCl 1792976654 IJPYBYUVRWYSGS-BAESOJJISA-N 427.288 0.791 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccc(O)cc1 1795739758 KAOPLUKQOYEWNU-HEFCWWFNSA-N 438.289 0.079 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)C1 1796364049 CPYAXEVXVDFZSX-AICCOOGYSA-N 449.907 0.746 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2)[C@H](F)Cl 1796366059 JEOULKPSCIPCKU-XCCSTKFXSA-N 439.831 0.416 50 20 ICGD C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439546 KASXQJASULJKIH-RBZXCYDUSA-N 433.534 0.629 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc2c(c1)CNC2=O 1797549118 HUQFVVDKRACUKF-NEBZKDRISA-N 440.269 0.824 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc2ncnn2c1 1797559712 BKQKKQATDZCCPF-XCCSTKFXSA-N 426.246 0.623 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2)[C@@H](F)Br 1799347873 YNRSKKTZTOAYCW-XFIYOXNOSA-N 429.286 0.870 50 20 ICGD Cc1cccc(Cl)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799603568 FWGFOVVRPVTWST-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800079022 WQYLEAUUUMTZCU-WMEBDMIVSA-N 427.292 0.906 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@H]1C(=O)OC 1800962497 ULADJSWMHSFASO-NEXGVSGLSA-N 428.913 0.585 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361077 DWDHNFIUYDKXBO-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361770 CYWUOYKRLOORNO-VQIMIIECSA-N 449.276 0.273 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363597 MSNARDDXCGZWBW-PZJWPPBQSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374225 FRPIFWTXDKBDHS-RYQLBKOJSA-N 429.232 0.736 50 20 ICGD COCCOCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809411875 CBUIIUPKMUOYBJ-UHFFFAOYSA-N 433.509 0.193 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348153 FSZAYAQOSCGBGW-STQMWFEESA-N 437.714 0.303 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816626461 NLIAPOZHVSKZTQ-FZMZJTMJSA-N 449.899 0.909 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472810 YYEOUAUEAQYNTG-IRXDYDNUSA-N 439.281 0.016 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n(C)n1 1817473128 HFZACNGZQQZXTL-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnc1 1817474610 VYFWZJNHHMKKAA-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1822371959 VSJKDJCOBUNXQZ-JSGCOSHPSA-N 437.884 0.971 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)c1 1822414816 ZIOKUIIFNNSWPR-INIZCTEOSA-N 430.513 0.980 50 20 ICGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1824553231 GYWBCXQDJHWTDZ-WCBMZHEXSA-N 427.870 0.229 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cn[nH]c2)CC1 1825184997 DMODJUXTGPCJPF-NRFANRHFSA-N 438.337 0.956 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825636007 PMYAJXSTDLMYOD-ZKWXMUAHSA-N 444.311 0.437 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051794 FTRZIHCKDZRRCB-JXFKEZNVSA-N 441.337 0.290 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)n1 1828925145 GDQGLIPMWMNLPS-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1830538132 WOUXTIFLZIILMT-CXAGYDPISA-N 429.315 0.521 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538596 KOPUFQMOPYJDJP-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD CC(C)c1csc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725534 PMWXKJSVDOCCOJ-KSSFIOAISA-N 431.942 0.936 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725621 KYKDEIHYWOQZSZ-QFBILLFUSA-N 429.901 0.280 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830970550 APLYQTHQKSVXCF-RVKKMQEKSA-N 443.342 0.932 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092525 PVXUPHJVYZBDFV-QAPCUYQASA-N 443.342 0.821 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3C3CC3)CC2)CC1 1833255628 OHZBEPLLDHNSRX-UXHICEINSA-N 433.597 0.977 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833457386 NKHZTHVNKRVLPF-OXJNMPFZSA-N 442.944 0.962 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834090453 RIXZDYCJRUGSTP-LBPRGKRZSA-N 427.347 0.784 50 20 ICGD Cc1c[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835163754 JITXEAOUBHXJCX-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836719658 BHGGONWUMIUGPZ-DNVCBOLYSA-N 434.917 0.201 50 20 ICGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838415702 SFUIYMFMVWVGLP-DYVFJYSZSA-N 444.872 0.360 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198350 CGTZOVUOIXYGBS-GOEBONIOSA-N 433.278 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1840151566 GEXJBNXMTRWKIJ-OXFYSEKESA-N 440.928 0.592 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840151581 GWURPBWFWSKCIY-FXAWDEMLSA-N 426.897 0.776 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840153344 LCEGPYZPIDZUJA-KXBFYZLASA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840153557 SLTRLBPRNIBSCK-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187156 YVINUWARVASDNP-SFHVURJKSA-N 442.303 0.691 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C[C@H](N)c2cccnc2)C1 1842976231 MLQKPGUKTHGRDW-AEIQVQRHSA-N 437.504 0.809 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Cn1cncn1)C2 1843416217 MLTXEUJFRCTJJK-CXQBGCSHSA-N 426.481 0.252 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838501 IRJIEEKTHSAMGD-GFCCVEGCSA-N 436.372 0.645 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(F)cc1 1845010459 WUHLIFLVVXRYAL-HXUWFJFHSA-N 447.511 0.579 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846364760 IJHUNESYSWFUGF-XOBRGWDASA-N 445.944 0.816 50 20 ICGD COc1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(Br)c1O 16881299 SKXKUVWGUCVLNZ-RUDMXATFSA-N 435.234 0.933 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)OCO2 726764603 KOJQYPOVGQODTE-UHFFFAOYSA-N 439.471 0.579 50 20 ICGD CCOc1ccc(-c2noc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1 729276311 CAKYXWWKQMPOQY-LLVKDONJSA-N 425.467 0.153 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)NC1=O 729742930 MKVPNEBLAZRAAC-MEDUHNTESA-N 441.396 0.550 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)COc2ccccc2O)nn1-c1ccccc1[N+](=O)[O-] 730782014 DPXMGVWSFRSOSZ-UHFFFAOYSA-N 439.384 0.995 50 20 ICGD Cn1c(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)nc2ccccc2c1=O 733260409 DQSQZHZEKXDAGR-UHFFFAOYSA-N 439.453 0.997 50 20 ICGD CCN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 734416896 DJEURUVIYUYEKC-UHFFFAOYSA-N 428.511 0.955 50 20 ICGD CC(=O)c1ccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735116855 INHBDIQXLSNYTL-UHFFFAOYSA-N 431.518 0.906 50 20 ICGD CCC(COC)=NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 735970864 QNPHWJCSMPNKBQ-UHFFFAOYSA-N 426.477 0.957 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 741207257 LFMGUXJLGHVQPT-QGZVFWFLSA-N 449.471 0.741 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(OC)c1 742069837 YAAGQMYSHWPZGL-LLVKDONJSA-N 439.494 0.182 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(F)ccc1Br 742633887 KWTPBFUXAZWNLQ-HBJVGIJOSA-N 440.225 0.512 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747751226 JCMLJSXDUJLEMN-UHFFFAOYSA-N 431.836 0.677 50 20 ICGD Cc1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 748604735 MNAPTCLDNNNMQR-UHFFFAOYSA-N 438.531 0.866 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 749242061 QGFXJVKUGSJNBB-KRWDZBQOSA-N 436.582 0.868 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)c1ccc(Br)o1 751202397 CKJQQDSIVRKNGK-UHFFFAOYSA-N 427.211 0.285 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1F 751211407 HKBIAOIUEVOSIJ-UHFFFAOYSA-N 440.453 0.640 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1C[C@@H](C)O[C@H](C)C1 751292845 BEMBIYCCDQTSAB-XHBSWPGZSA-N 446.957 0.882 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C[C@@H](C)O1 751427238 ZLZYLGBRYARNIX-SOUVJXGZSA-N 438.550 0.658 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)COC)c1 755393369 WRAYEGRXFMUMCH-UHFFFAOYSA-N 443.526 0.353 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756148204 FWBORDWKYDSFHO-UHFFFAOYSA-N 439.372 0.853 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 756151693 GENBKCCJPHRZOX-UHFFFAOYSA-N 449.411 0.581 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc2)CC1 756357125 BXKVCSVFHQRQSV-UHFFFAOYSA-N 428.497 0.015 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1=O 757765668 WMLQKGHIAVQOML-UHFFFAOYSA-N 433.377 0.551 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1 763423276 LWSHMGJSXSENMF-JJIBRWJFSA-N 443.485 0.899 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 763898192 NKNSAIPGWWZEKJ-UHFFFAOYSA-N 436.515 0.829 50 20 ICGD CCC(C)(C)OCc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002624 OWEHHYZSUHFLIN-AWEZNQCLSA-N 425.507 0.912 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)C(C)(C)c1ccccc1)CC2 764308312 AMLQOFAXXRJEKE-UHFFFAOYSA-N 444.513 0.609 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764353437 GSVDSMRMFHGTLE-CQSZACIVSA-N 447.517 0.628 50 20 ICGD C=C(C)COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 764813444 ZHWAETOJHYGCHK-UHFFFAOYSA-N 440.460 0.548 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)c1 764932676 QLXURPLEVXMRIA-UHFFFAOYSA-N 449.510 0.549 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2ccccc2c1=O 765973564 JVTUYYAEHPFRGN-LBPRGKRZSA-N 427.383 0.881 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1nccnc1OC 766261398 XMLNUWAPSKYWAA-UHFFFAOYSA-N 435.393 0.379 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 766650446 UJIJRVDJNFAPTN-GCJKJVERSA-N 445.589 0.714 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccccc1S(=O)(=O)CCN(C)C 767191909 MFUGSVKMQRHVJO-UHFFFAOYSA-N 435.502 0.871 50 20 ICGD COCCN1CCN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1=O 768677325 LSFCBIJJXFYSPR-GFCCVEGCSA-N 443.298 0.748 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)COc1ccc(S(N)(=O)=O)cc1 768737542 QYYMUEAKIVIMNZ-UHFFFAOYSA-N 429.476 0.268 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)nc21 770972392 QPFPLEQNHTWEPR-UHFFFAOYSA-N 431.478 0.613 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnn(-c4cccnc4)c3)cc2)CC1 771566655 PWASKRNRWHZUIX-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 778697926 INSKXYDZXGXYMF-UHFFFAOYSA-N 447.436 0.156 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@@H](C)OCCOC 779355017 VZRFWHUTQJISCI-GFCCVEGCSA-N 432.499 0.540 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2nnc3ccccn23)c1 782549969 WAZNCINUNMOHDX-UHFFFAOYSA-N 434.503 0.533 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(Br)nc2)cc1S(N)(=O)=O 784808920 IJGNMYKMUYJAKD-UHFFFAOYSA-N 428.268 0.882 50 20 ICGD O=C(COC(=O)c1cnn(-c2ccc(F)cc2)n1)NNC(=O)[C@H]1COc2ccccc2O1 786144112 RJNBFTNEFLJCJO-QGZVFWFLSA-N 441.375 0.551 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)nn1 789810244 LMCQVZFAJSIYNM-LPHOPBHVSA-N 449.471 0.938 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cn2)cc1 793026494 RQMLRCCLXJZPHN-UHFFFAOYSA-N 439.428 0.811 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc(Cl)cc1F 793602261 RSAVAWAHBNGAFV-KRWDZBQOSA-N 426.832 0.856 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1F 797071422 NQICPMWLHBCLEA-UHFFFAOYSA-N 440.384 0.329 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)N[C@H]1CCS(=O)(=O)C1 797710988 CNWHXMLKBJDOHK-NSHDSACASA-N 447.510 0.673 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)NC)cc1OC 799519451 XOFCJJCHUVIERJ-UHFFFAOYSA-N 443.503 0.625 50 20 ICGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 799520892 RPYDNCLWXHMNEV-CYBMUJFWSA-N 431.522 0.661 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 802007141 YARJWRNGJFUGKX-SECBINFHSA-N 441.416 0.583 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806980677 UMJAHUZDKYZOBR-ZETCQYMHSA-N 441.160 0.364 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2=O)c(OC)c1 807578168 YOUSKPWZGJPYCX-KXBFYZLASA-N 440.522 0.186 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1F 812982442 UTPJVABGHBLQAQ-UHFFFAOYSA-N 427.436 0.466 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(CCN2CCCC2)c1 815691841 CMJBZRLESSPMMX-INIZCTEOSA-N 425.493 0.265 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(Cl)n2)cc1 815727648 GHDNYCCTHXEDHS-UHFFFAOYSA-N 427.870 0.742 50 20 ICGD O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CC[C@H](B(O)O)C1 864232788 DHTXTJPJFUKABS-JTQLQIEISA-N 437.110 0.703 50 20 ICGD Cc1ccccc1[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)NC(N)=O 913661080 ZYTMJCTWFFOXFM-KRWDZBQOSA-N 447.517 0.806 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915076873 MQNQBESWZWLGSK-UHFFFAOYSA-N 431.478 0.121 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1S(N)(=O)=O 915639304 OZXHMJBHTKYLST-UHFFFAOYSA-N 431.829 0.844 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)c1 916095404 KHSMTOQUXZDSOE-CQSZACIVSA-N 446.485 0.783 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 916830682 OWTGZDVWSFPUCD-QFIPXVFZSA-N 435.440 0.474 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cccs2)c1 917941321 QICWNMKEEVDEBC-GFCCVEGCSA-N 443.528 0.745 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 919809207 HDEMRCDLVDXHFQ-UHFFFAOYSA-N 431.430 0.730 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ncoc2[C@@H]2CCCO2)CC1 1182815339 BXZSKKWLACYBDW-ZDUSSCGKSA-N 436.494 0.614 50 20 ICGD CN1CCN(Cc2cccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)c2)CC1 1318434427 NUPOTVKRLOYZHB-UHFFFAOYSA-N 444.561 0.756 50 20 ICGD CC(C)CNC(=O)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1343057234 YKCOAAIDEWGJFL-UHFFFAOYSA-N 431.541 0.918 50 20 ICGD Cc1cscc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030047 FPHYKWTXKHWXRV-FQEVSTJZSA-N 429.502 0.812 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779410297 METSMPJYRDYKPE-WRWLIDTKSA-N 431.961 0.416 50 20 ICGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780200434 AKXYEICPBNLUIH-FZKQIMNGSA-N 439.831 0.656 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)no1 1781229403 DAIARWOAIVXODI-QZTJIDSGSA-N 447.319 0.779 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782176038 VOYUTNMPBDASEM-NRTGNBEESA-N 432.949 0.462 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783350720 APJULHAXJQSGOX-APPDUMDISA-N 440.298 0.193 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784284017 OBBYBFIQLBALQY-SBUREZEXSA-N 437.305 0.084 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785216983 VBUJZYOGPMWNSL-BPUTZDHNSA-N 439.545 0.623 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788595331 LEVKXBCWHVURNN-LLLHUVSDSA-N 437.924 0.595 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1791249217 FWUGCGIVXFOLQD-ZOFXXKQRSA-N 431.961 0.771 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782935 JYBUBGFXECHMJF-QKPAOTATSA-N 432.901 0.336 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 1792812455 QYFRAJSHPTWAAC-MHRUYAEQSA-N 446.523 0.892 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2)c1ccc(B(O)O)cc1 1795732849 NAWHNQKLKXYQLC-CWPLJXCYSA-N 432.351 0.245 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187015 GOGXDVBOXYZGIC-REPLKXPHSA-N 436.273 0.590 50 20 ICGD COc1ncccc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188237 FEPBQYNRGAXSEH-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(-c2ccncc2)[nH]n1 1796188719 LNDDAXYYXRMWPY-REPLKXPHSA-N 445.288 0.717 50 20 ICGD O=C1Cc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c2N1 1796193173 QHVCUCSMHNMNHO-BCDXTJNWSA-N 433.273 0.427 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307836 AIAICKXIDXUNKD-YXPYIKCWSA-N 426.615 0.454 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748453 COSKITWLHOOACN-JJLQDPRZSA-N 439.463 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800134774 HSAYMHRJNZMEEG-NDPMZMCLSA-N 425.848 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnccn2)[C@H]1c1cccnc1 1803304351 GJRDEPVUHMGODP-HTAPYJJXSA-N 439.520 0.493 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803819422 CSZPQYZFJLRDCW-RXVVDRJESA-N 447.304 0.437 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803937769 AARKXQBJCYCKDF-GIVPXCGWSA-N 436.321 0.175 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1804913202 FKWAWAXCGJXJTJ-SFHVURJKSA-N 444.536 0.445 50 20 ICGD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805822001 LUEBOZZSMSHCLV-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807690733 HKEXFWWCGWVBTM-QBYUYEEZSA-N 425.327 0.595 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295754 XEYFURSISJDESF-JXFKEZNVSA-N 440.504 0.825 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCN2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817474990 JDOMNUHHEQQSPX-IBGZPJMESA-N 439.325 0.881 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)COC)[nH]n1 1819243613 HSLBXLAYXHSNGJ-IXPVHAAZSA-N 431.877 0.720 50 20 ICGD Cn1cncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401835 BUNKXSFJRQGKNS-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 1828924061 IDTGYUOLTYYDNU-FCEWJHQRSA-N 429.521 0.689 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1830543807 DQHGGFGWQPBMOT-KEYYUXOJSA-N 444.330 0.327 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727794 FSGJLMKFECZCOO-FOIQADDNSA-N 436.896 0.312 50 20 ICGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccs1 1830727887 JPZQIOXVTKPOCT-GWKPYITFSA-N 442.921 0.543 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830739097 YNYTUTNYKXDKAB-YPXCQQABSA-N 429.926 0.521 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)C(Cl)Cl)CC1 1831878704 NCAHYOXNYNDLCJ-GFCCVEGCSA-N 442.307 0.850 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831880626 BKHXOHJEMGNWPT-OXQOHEQNSA-N 425.913 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831988341 VSYAZBSBPMXIRE-HZPDHXFCSA-N 425.913 0.785 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1833309933 FGAAKJAHVJYKBI-OAFZBRQQSA-N 426.989 0.498 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)o1 1833901111 RBVSFGDPXCOMPV-MLGOLLRUSA-N 449.277 0.501 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114467 NYFRIOHVBPZHNU-RDTXWAMCSA-N 444.941 0.279 50 20 ICGD CN1CCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc21 1836569927 GLWADPOWWYHCLM-WIYYLYMNSA-N 437.924 0.349 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836690920 HUNHKCZFSXGMQK-HXUWFJFHSA-N 446.353 0.386 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837445074 BCIZALQENUAMAU-ZOSAASJSSA-N 449.321 0.605 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838720336 VVZYNKXZCLTTCU-QGZVFWFLSA-N 439.601 0.698 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198265 AWLCYGAMAMCRFJ-IOASZLSFSA-N 438.294 0.048 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1839762243 DFVGXZRPWPKLGJ-KDOFPFPSSA-N 432.901 0.040 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839962457 FRIZNQWMEJUVFH-GLJUWKHASA-N 448.358 0.531 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839963501 MKMCOOJWJZUYJY-GUYCJALGSA-N 429.315 0.664 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)o1 1840032267 SXMMDQBYOSIAQG-MEDUHNTESA-N 431.287 0.160 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840434215 UGYPMYPHVAWQKF-VKJFTORMSA-N 443.342 0.759 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011666 DBTGMDWNRYXQIQ-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C(CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)Nc1ccc(F)cc1 1843011942 LVVMHUDOMOSICY-UHFFFAOYSA-N 439.252 0.351 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1843337964 IOJRNDCTCZDYTF-HNNXBMFYSA-N 447.448 0.784 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845998852 SIEUXMRZHGCGOX-CYBMUJFWSA-N 430.417 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846364100 YHBOCFMFKIENOB-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1=O 105567203 GJQBQXJXZOVAOT-NRFANRHFSA-N 442.403 0.825 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 725873696 PRYRKDVERBWHAP-UHFFFAOYSA-N 431.474 0.382 50 20 ICGD O=C(COC(=O)C1CCN(CC(F)(F)F)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 728328372 HZYWQBREQSWDEM-HNNXBMFYSA-N 445.394 0.791 50 20 ICGD COc1ccc(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1O 728331486 AQPUEZSCZUDISM-SFHVURJKSA-N 430.413 0.864 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730674816 OXXVZQYPQFZKKX-UHFFFAOYSA-N 430.552 0.337 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCCS(=O)(=O)C1 731923326 FOYCNLUXEZPTIC-UHFFFAOYSA-N 443.547 0.321 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 732195187 JLLXJKFJNIJPBK-ZDUSSCGKSA-N 432.493 0.853 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)C(=O)NC(C)C 744439736 FZYCFSPNPMLROC-UHFFFAOYSA-N 440.522 0.546 50 20 ICGD O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)NNC(=O)c1cccs1 745981139 PJFTUKRRNHAORW-UHFFFAOYSA-N 432.531 0.396 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)sc1S(N)(=O)=O 754168351 ZPKVMHLGWVFHEF-UHFFFAOYSA-N 427.460 0.331 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 755532307 OHTYSTMLVXAENT-GFCCVEGCSA-N 431.515 0.207 50 20 ICGD CSCc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 760077028 ZCRKEBDUMFEVQO-UHFFFAOYSA-N 431.478 0.150 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1OCC 762867954 ZTJOFAWVULCJNE-UHFFFAOYSA-N 444.492 0.984 50 20 ICGD CC(C)OCCCn1c(NNC(=O)Cn2cc([C@@H](C)O)nn2)nc2ccccc2c1=O 763047103 HGCSUBFKBJMQKN-CQSZACIVSA-N 429.481 1.000 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763443334 IYRNVWUZEXNBLU-UHFFFAOYSA-N 442.432 0.885 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 763530150 RFOWVRZICMYAMB-UHFFFAOYSA-N 446.423 0.650 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)cc1 763873787 YNUROWSJBYXFSG-CYBMUJFWSA-N 426.429 0.850 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 763878553 RCFVJARSIQNJTN-ZDUSSCGKSA-N 442.428 0.307 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)n1 763892142 VIFXHSFTWDTHHZ-UHFFFAOYSA-N 449.533 0.999 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(OC2CCCC2)nc1 763921813 PDPPDABGJHIIAD-UHFFFAOYSA-N 436.432 0.778 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)c1O 764132162 LVEVNJLTPRJNBV-UHFFFAOYSA-N 428.445 0.946 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764344269 WLOSUBDDMVOJFE-KRWDZBQOSA-N 439.472 0.662 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764354493 UIKYWFLMBOYXAQ-UHFFFAOYSA-N 431.474 0.217 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)c2ccccc2O1 764359876 QJNRZPZGOYVVPX-QGZVFWFLSA-N 442.476 0.280 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccccc3F)n2)c1 766209214 OQZANUPHHMVKIO-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 766636124 JWMAIWXQZWQGKC-AWEZNQCLSA-N 449.360 0.643 50 20 ICGD O=C(O)Cn1cc(C=NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 768476438 NDAPJGVUXPQKFR-UHFFFAOYSA-N 442.457 0.605 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)nc21 770973059 LDDXNJHLFNPFSV-SNVBAGLBSA-N 425.405 0.336 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 772187137 RXZMYOKGNYOWCO-DOMZBBRYSA-N 431.449 0.025 50 20 ICGD O=C(NNc1ncccn1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 773716208 ITBZLKMJLNJHLQ-UHFFFAOYSA-N 430.490 0.684 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)n1 773724757 YYXGGMCDNQUWRI-UHFFFAOYSA-N 443.869 0.644 50 20 ICGD NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 777790089 NGKDHXYIWLNDIV-YJBOKZPZSA-N 446.504 0.695 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784001796 DJPAYWUELDHUDB-UHFFFAOYSA-N 444.444 0.680 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 785331306 SXLNQJCOYNHFBH-UHFFFAOYSA-N 446.441 0.406 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ncccc3F)CC2)cc1 792237479 JXOIJVCHYBEGMN-UHFFFAOYSA-N 449.508 0.226 50 20 ICGD CCOCCCNC(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792394339 KOKMVXZHKRNDPI-UHFFFAOYSA-N 425.449 0.968 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1 794721021 OPOABVRBHZKBIR-UHFFFAOYSA-N 449.514 0.889 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977589 PZGGRONGUHJJCO-GJZGRUSLSA-N 440.456 0.395 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 807004774 UZYPGMNJVLSFQK-UHFFFAOYSA-N 434.206 0.430 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 810384860 JGESPQBRYYERMW-OAHLLOKOSA-N 431.376 0.847 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 812732593 MTVOAYZVNBZBAH-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1cc[nH]n1)c(=O)n2Cc1ccccc1 814746383 WKFBAXJSSGPGRS-UHFFFAOYSA-N 434.460 0.691 50 20 ICGD C[C@H](CNC(=O)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(N)(=O)=O 815730027 SQZFBAWTCZTJTR-ZCFIWIBFSA-N 436.334 0.961 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 1116541949 CJEJYEXXMAEMCN-AWEZNQCLSA-N 432.543 0.931 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1781334125 MITKKERCMGISJG-ZQIUZPCESA-N 435.338 0.143 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781664852 HEENJWCKECZZOV-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997554 BOJOFVVMTSUIQA-UHQDVWGKSA-N 430.343 0.974 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783246378 KOYWHNBYTSLPQI-WEGMGINNSA-N 426.322 0.636 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783246729 IGJYBWQPVBDBBJ-BMCPXHGSSA-N 441.532 0.955 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933662 UVQRREDWTFPYBL-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD Cc1scc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1C 1786246310 AYODGJQBRNEAKE-QRFRQXIXSA-N 442.346 0.952 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292911 BFHZMOWHOXSXMA-NEPXVJNWSA-N 447.536 0.202 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)nc1F 1792420070 WBMHKHHQCXKDRC-ZSBIGDGJSA-N 430.415 0.924 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794359711 QHOQKQOPVZSNHV-OXIQGZBJSA-N 428.283 0.462 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)[C@@H](F)Cl 1796364484 GSCFNFBEOVHWSJ-DLTLXFJOSA-N 426.876 0.656 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1c(Cl)ccc2c1OCO2 1796937357 ATOOCZAUNVVCCW-HOZXKAFVSA-N 431.272 0.872 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2 1797752753 DTXNECQUXDVBEK-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074656 JKNVQFWOOGPGBL-HLPPOEQASA-N 440.953 0.499 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1803015600 RLLLVYMWRPFRTJ-ZUOZUFPHSA-N 439.354 0.841 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)ncn1 1804964065 LWIGEOHJEOOIJG-MAZHCROVSA-N 433.852 0.489 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncs1 1805971565 DGWXDUXNWQOXJC-APWZRJJASA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nccs2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365835 WMMMACDTHDMMFI-FUHWJXTLSA-N 436.302 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1 1810297889 FVDRTNIRIYSPKI-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1813030122 DQCQERJXPVYNMR-SNPRPXQTSA-N 435.868 0.856 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(Cl)Cl 1813077194 ZZAOTAQEBPSCRE-GOEBONIOSA-N 436.104 0.885 50 20 ICGD Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)o1 1820575480 ONRAGDWYPXXIGU-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)Br)n[nH]2)N1 1820931152 LNAUBPHERNYLIA-YGOYTEALSA-N 445.249 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)N(C)C)[nH]n1 1822412362 PJPAOBDVORUBQZ-AWEZNQCLSA-N 436.517 0.046 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823749266 LWUYNFSKFUAINR-POGDKVGISA-N 447.580 0.838 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055577 DIPKHMZINNIHFX-NHCUHLMSSA-N 443.353 0.514 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1830332398 BYRNEFCCZSNMMA-FHLIZLRMSA-N 438.352 0.594 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732131 RRFMBITYBPCCEC-QRWLVFNGSA-N 449.895 0.141 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831654502 UCSOTTLILFXGKS-UZLBHIALSA-N 440.928 0.979 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1832291458 ZTZIXWCLZIVOJM-WBVHZDCISA-N 434.545 0.227 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833094564 MDAQBVRABVWGQT-YOEHRIQHSA-N 429.315 0.431 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccco3)CC2)CC1 1834103585 ABTDJKFONIVALD-UHFFFAOYSA-N 440.504 0.777 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnc2[nH]ncc2c1 1835522155 NWISABQPLKCIMQ-KRWDZBQOSA-N 434.928 0.743 50 20 ICGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1835920216 QFXNKGZLCYNUFK-HNNXBMFYSA-N 427.864 0.894 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836895545 IGLLFTGNVYLGES-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837854067 GQWDRXDBDXQBMY-KKSFZXQISA-N 439.601 0.731 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1 1838352523 LOUUVXUXGKZAEX-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)c1ccco1 1839198391 CZLGWMAOLGWFAV-CZUORRHYSA-N 433.230 0.609 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201724 HNGOSCFJEZSWSA-WMLDXEAASA-N 447.257 0.858 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030059 ZKCODPYIJNZSNB-LRQNFFAQSA-N 444.326 0.085 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840150912 SKYBZTMXCQXWMO-NQIIRXRSSA-N 445.988 0.817 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840151392 AHCUZEDBYQTSEP-OXFYSEKESA-N 441.912 0.572 50 20 ICGD O=C(CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)N1CCCC1 1840186275 FIWQTAQTPUYQNN-GOSISDBHSA-N 436.336 0.649 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840462616 LOKCRLIFMSTTHH-RDTXWAMCSA-N 443.342 0.450 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415146 QBKFSRLZOWAMQM-XJLNDYEXSA-N 426.477 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022960 LJSPSWRGLFLHKV-ZDUSSCGKSA-N 426.926 0.349 50 20 ICGD O=C(CN1CSCC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 17632633 KSTAKNIHACPAME-UHFFFAOYSA-N 437.485 0.682 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)NC1CCCC1 46773086 ILUWKMYLSQEHKV-UHFFFAOYSA-N 426.495 0.202 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 727350193 SYUWHMZEGROHAR-UHFFFAOYSA-N 427.508 0.311 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 727762439 FETNDYIWTNFTGZ-UHFFFAOYSA-N 433.328 0.556 50 20 ICGD O=C(COC(=O)CCOc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1COc2ccccc2O1 728324775 DNDJUIFFXVOTSU-KRWDZBQOSA-N 445.384 0.894 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728889236 AYSAHGRTKVJMQM-UHFFFAOYSA-N 442.501 0.066 50 20 ICGD O=C(CN1CCN(Cc2nnnn2-c2ccccc2)CC1)NNC(=O)c1cccs1 732204251 GUTWOGKXBTWBTP-UHFFFAOYSA-N 426.506 0.303 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 733249636 NWXQJZBNGKNPHY-UHFFFAOYSA-N 448.567 0.699 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNc1nccc(C(F)(F)F)n1 738474223 FROZDGKQXHRKGS-UHFFFAOYSA-N 431.400 0.729 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)nc2c1c(=O)n(C)c(=O)n2C 738506201 UFPGCZXUMDGKLQ-UHFFFAOYSA-N 433.428 0.406 50 20 ICGD O=C(COC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 741385917 JOBQPMIHKZCLSP-SFHVURJKSA-N 442.428 0.800 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 742471722 HFGWGVKGDWHEHJ-LLVKDONJSA-N 430.442 0.694 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 742471727 HFGWGVKGDWHEHJ-NSHDSACASA-N 430.442 0.694 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cc(C(=O)OC)n(C)c2)cc1 745977532 YCCSRDDHLBURNY-GFCCVEGCSA-N 425.463 0.987 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1=O 746778650 BWNFABIUSUWMJW-BZNIZROVSA-N 430.508 0.021 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)C(=O)N1CCCC1 748246731 OFIMFLMGLFBEEL-AWEZNQCLSA-N 437.478 0.216 50 20 ICGD CCc1c(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)[nH]c(C)c1C(N)=O 748401291 QZTXXKBBVGUAHR-UHFFFAOYSA-N 432.433 0.620 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@@H](N(C)C)C3)nc2)CC1 749591775 SOPFIPMWSMFOTJ-HZPDHXFCSA-N 439.586 0.517 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NNC(=O)c1cccc(C#N)c1 756567528 RYMUMEDCYNNDPF-UHFFFAOYSA-N 427.486 0.632 50 20 ICGD COc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1-n1cnnn1 756747550 QGBYKGBCHLWVLM-UHFFFAOYSA-N 438.452 0.530 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)c1 757648589 CEPNDBKIFOFDAC-RYUDHWBXSA-N 430.465 0.548 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 757747362 IMKWGCQOAJMMOJ-VIFPVBQESA-N 434.400 0.982 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CC1 757868163 XATQSLXZBNKWRY-NSHDSACASA-N 430.508 0.023 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 758025046 IZNILGZPIOXGOS-OCCSQVGLSA-N 428.511 0.728 50 20 ICGD CN(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786233 KDXINZXPQAQKMG-UHFFFAOYSA-N 444.496 0.841 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)CC2(C)OCCO2)cc1 758859097 QWFCHEJGUORCLN-OAHLLOKOSA-N 442.538 0.735 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1Br 759640258 IFPMMSLVFWTYPA-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 762856502 QPBXZQLJMSBIFK-MRXNPFEDSA-N 446.533 0.857 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)c1 763484358 XJNZDVCFOVAEGH-UHFFFAOYSA-N 435.234 0.713 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 763841181 OHGPWJITPNMIIQ-CYBMUJFWSA-N 431.449 0.767 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764004721 SHDSXSMVPXFPQF-UHFFFAOYSA-N 426.429 0.916 50 20 ICGD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764259756 IYZRMKWGZSMKRW-UHFFFAOYSA-N 442.524 0.801 50 20 ICGD CCN(CC)CCn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764424031 GCHIUAAMMGWBLI-SFHVURJKSA-N 431.493 0.484 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Nc3ccccn3)CC2)cc1 765313688 UHXPXRMRXXOLIS-UHFFFAOYSA-N 432.506 0.549 50 20 ICGD CC(C)Sc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730471 KQVPASFURRVHKD-UHFFFAOYSA-N 430.490 0.395 50 20 ICGD COC(=O)c1coc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 767851167 OLIXTWZPDDASJA-UHFFFAOYSA-N 431.286 0.055 50 20 ICGD COc1ccc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c([N+](=O)[O-])c1 768338459 JHJFNQUTJZVFTO-UHFFFAOYSA-N 439.450 0.720 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1ccc(C(F)(F)F)cn1 775246407 PITIGYWPSZMGOI-UHFFFAOYSA-N 431.352 0.799 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)CCc2ccccc2O)cc1C(=O)NCC(F)(F)F 775671904 KIVCPGHVQYSVGB-UHFFFAOYSA-N 448.423 0.965 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)OCC(F)(F)F 777832630 PRJTXMFEFDQDQI-UHFFFAOYSA-N 426.211 0.101 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)c1ccc(Br)cc1 778642238 WHBVTNZIEXUVEL-GFCCVEGCSA-N 425.239 0.836 50 20 ICGD CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967709 WEHIUXVOJHAQOF-UHFFFAOYSA-N 438.440 0.895 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C 783522685 XVRNQTBJVFCOKU-MTJIALIYSA-N 426.514 0.757 50 20 ICGD CC(C)n1nccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784231354 XZRGVETYDCEFPA-UHFFFAOYSA-N 449.537 0.482 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Br)cc2)CC1 794764716 WIWPMLICFWGFRL-UHFFFAOYSA-N 449.327 0.152 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 797450045 SHZHXKXSPJXEPG-FQEVSTJZSA-N 435.477 0.971 50 20 ICGD NC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 799123725 FKOGSIMTOFEWNV-UHFFFAOYSA-N 445.284 0.718 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 806979706 BZRHQTREDFCROD-NSHDSACASA-N 433.202 0.101 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 807368493 FASVCYHAHYTJPY-UHFFFAOYSA-N 443.478 0.028 50 20 ICGD COc1cccc2c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)n[nH]c12 808676801 SAGSJJKALLRITA-OAHLLOKOSA-N 426.385 0.716 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 810007474 JPGCBQVSHHHKLX-UHFFFAOYSA-N 432.462 0.109 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)COc1ccccc1O 810365245 OWCNQWHVBGSJLF-UHFFFAOYSA-N 447.391 0.916 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cc1OC 810398274 AAEXGUIUSOMXOV-UHFFFAOYSA-N 447.473 0.372 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1=O 814719863 DVDURAMGPNLUAM-UHFFFAOYSA-N 425.445 0.777 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccnn1Cc1ccccc1Br 815778321 MBNAPPOAFQBFOP-CYBMUJFWSA-N 436.266 0.959 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1F 815779490 HYGPQVVKCAYCOV-GFCCVEGCSA-N 430.458 0.167 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1Cl 912852220 SJRQBTIZOBKQKL-UHFFFAOYSA-N 445.910 0.355 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc2ccccc21 913534501 PXVYNYBKNSXISL-UHFFFAOYSA-N 426.458 0.113 50 20 ICGD O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1cccc(Cl)c1 913589481 SOLFMEZFVAEQGD-UHFFFAOYSA-N 438.893 0.747 50 20 ICGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)C[C@@H](C)O1 918777407 IRJTUIJIDUAYJT-HUUCEWRRSA-N 425.511 0.013 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1337271382 LRABIKRNKJTOTK-UHFFFAOYSA-N 443.485 0.872 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032499 LVYZPZHZIHSBJX-NRFANRHFSA-N 442.476 0.301 50 20 ICGD O=C1Nc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)cccc2C1=O 1779148162 XTIODZKWDBXECY-PDSXEYIOSA-N 449.891 0.549 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2)[C@@H](F)Br 1780770232 JGRIWPPNWLWDIN-AXAPSJFSSA-N 436.278 0.643 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)CC2)CC1 1781107918 IROZQIPRZJAYGT-YOEHRIQHSA-N 447.349 0.287 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1781654400 KGTGCOWZHNAZBI-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783934131 ZPCLWNGSVUXTKA-JOCHJYFZSA-N 432.521 0.441 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1784446592 VHONSMXVYPWMHA-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C(=O)OC(C)(C)C 1786621869 RWSYAGMXGGPEAZ-AJNGGQMLSA-N 433.933 0.433 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788771083 KTZDXVYTDFMZEI-DGVSKKNDSA-N 448.358 0.148 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)ccn3)[C@H]2C1 1788851125 SQUJALZRUYQWPA-QRTARXTBSA-N 437.928 0.701 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1790655584 UCVSZLMQEWNHST-GVXVVHGQSA-N 447.275 0.540 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749016 GDJLWJHQDCEANH-PEDHHIEDSA-N 437.356 0.327 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C[C@@H]21 1791254972 YBJGJOOCVDRVBO-JONQDZQNSA-N 435.912 0.885 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCOC3)[C@H]2C1 1791753464 QVFPAXMIZCFVLM-FVZNNPCVSA-N 431.493 0.137 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(Cl)cccn13)C2)[C@@H](O)CCl 1792976657 IJPYBYUVRWYSGS-JLUCKKNBSA-N 427.288 0.791 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1793449105 RXCHXYMUQONSIG-OCVGTWLNSA-N 435.912 0.942 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1793449853 OOENHXWZCVTFII-SFNKJDCFSA-N 428.961 0.148 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797005178 CWPAWOFSVFNWED-OPDFLTKYSA-N 440.273 0.931 50 20 ICGD O=C(CCCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797883230 UNFZQRMWPACIOX-HATOLVCRSA-N 439.321 0.242 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cn[nH]c3cn1)C2 1798440182 FTDLHODCIGACKE-BTTYYORXSA-N 434.460 0.522 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c3c1CCC3)C2 1800758327 WSGGOICHSHXKIG-OHTBPHCPSA-N 425.327 0.895 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1800978275 QXAHFKACUZEFLL-FQLMCAECSA-N 425.869 0.325 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1CCc2nc[nH]c2C1 1801266572 YBMATOWGVACHNG-KOFHJDLBSA-N 425.327 0.889 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1804430538 KYPBGDJTUZFVKV-VGOFRKELSA-N 441.536 0.816 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1804626392 NFDVMTIURATASJ-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303950 XYXNGXSGEGQAJN-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD COCCOCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071009 LXTRGHKRJYDXEM-UTKZUKDTSA-N 435.525 0.123 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813534349 NGUZAPSBQIGQBX-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)cco1)CC2)c1ccc(B(O)O)cc1 1815339552 GPDUXHXMRPHCOH-ZDUSSCGKSA-N 439.258 0.316 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348364 LKXSVDDAAYMXBU-IZPAUZPXSA-N 437.290 0.485 50 20 ICGD CC1=C(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCO1 1815354633 OBNKAZQGHHGABN-AWEZNQCLSA-N 427.291 0.743 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817477041 XGJWTJQIGVBWNS-APWZRJJASA-N 439.325 0.737 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824588845 QXFNSOQQGDKVST-HNAYVOBHSA-N 429.326 0.111 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825713979 LBMRXCIRPIDVJQ-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1CCN(C)CC1)CC2 1825998378 GEFWEJIZGMGHRF-KBPBESRZSA-N 444.001 0.946 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)s1 1826994045 RILKYUVSNVGRGC-KRWDZBQOSA-N 442.350 0.952 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048832 AFOMZDWDAWLRHX-UTKZUKDTSA-N 426.322 0.638 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829859756 JVAGRSMMSWIOAS-XEZPLFJOSA-N 438.294 0.048 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513607 CQMULSMIFPSYRT-FZMZJTMJSA-N 431.331 0.450 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833652454 NVYUODUXHLOTBR-APWZRJJASA-N 437.859 0.872 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1)c1ccc(B(O)O)cc1 1834798553 KJVQOSZDUCSAOS-NRFANRHFSA-N 441.337 0.244 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826383 NNYZLJHJFILMKY-GOSISDBHSA-N 449.342 0.817 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)C(=O)OC(C)(C)C 1835210526 FAGUTWRFVMEUML-KDOFPFPSSA-N 437.896 0.844 50 20 ICGD NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1835554602 PNCOJTOQYWSDMO-QFBILLFUSA-N 440.338 0.408 50 20 ICGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCCC1 1835933995 JSDHATQBQWGMKY-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C1(O)CCC1 1837709149 WGKCEVFHMMHPSQ-APWZRJJASA-N 428.602 0.845 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1837712110 FDTSPQVSIVMQKQ-IBGZPJMESA-N 439.541 0.007 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838579180 DLUCINOLBAOZFI-PXNSSMCTSA-N 437.880 0.237 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198064 RNQFLAVELJXIJL-BLLLJJGKSA-N 449.277 0.189 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839202460 GEAYQZLRRCFXGH-WSMBLCCSSA-N 437.306 0.684 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030807 WXOYCKZSGZSMDM-SJKOYZFVSA-N 429.315 0.582 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840872593 ZARSUHRZYXDDCQ-RKVPGOIHSA-N 433.343 0.900 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354287 RBSHMHKNHNGMGF-OLZOCXBDSA-N 429.901 0.716 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@@H]2OCCc3ccccc32)C1 1841553027 PUUUDOJAFXHBEP-NRFANRHFSA-N 434.301 0.888 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010340 FRHGXHLWTUNYAG-OAHLLOKOSA-N 445.325 0.344 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 17406123 OYAFAHOXGYHRDB-OAHLLOKOSA-N 448.501 0.405 50 20 ICGD COc1cccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725872014 UIRJLYVSYWETJN-UHFFFAOYSA-N 429.433 0.217 50 20 ICGD COCc1cccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 727350341 LNGLOVIAWFMYEA-UHFFFAOYSA-N 427.504 0.707 50 20 ICGD COc1ccc(CC(=O)NNc2nccnc2Cl)cc1S(=O)(=O)N1CCOCC1 734261617 QARVYZXQXVTXST-UHFFFAOYSA-N 441.897 0.845 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 746197806 MUJVOXXTDZZIIF-UHFFFAOYSA-N 444.400 0.680 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnn(C)c1 749874614 PAZWDPUPGOBXSK-OAHLLOKOSA-N 449.533 0.325 50 20 ICGD O=C(NNC(=O)c1cccn2c(I)cnc12)C(=O)N1CCCC1 750611230 QSBLMUWNUCVCMR-UHFFFAOYSA-N 427.202 0.322 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 751201965 OJEHGBFPGVDDKV-CQSZACIVSA-N 434.474 0.258 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1C 756652851 BEPDOKLKHGOLJH-MRXNPFEDSA-N 444.492 0.979 50 20 ICGD CC1(C)OCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CO1 758727429 QWJBDZJKPKYXDG-UHFFFAOYSA-N 440.522 0.957 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 759114200 SRDPRYFECMKIRB-STQMWFEESA-N 436.490 0.250 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(C)c1 761400835 JFYNKUBWHLBGGQ-UHFFFAOYSA-N 446.493 0.106 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2C1=O 763686784 UCZXXDQBUFGOMS-UHFFFAOYSA-N 430.804 0.731 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)n2)cc1 763978054 DFMOZNYBKVJHOC-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764166915 GAVBWMJHENJSJJ-KRWDZBQOSA-N 446.485 0.463 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764169407 VVAHJTHIOKYJNP-QGZVFWFLSA-N 426.429 0.487 50 20 ICGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764362628 GHYLJQYZHHWKOF-UHFFFAOYSA-N 442.201 0.508 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3nnc4ccccc4c3=O)n[nH]2)cc1OC 765597341 RQTBGGYCFVAPCY-UHFFFAOYSA-N 449.427 0.660 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 766661219 TXAXDHLHXDPXLV-MRXNPFEDSA-N 433.940 0.616 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 767468886 HBYFFLQGQPKNPD-QMMMGPOBSA-N 433.364 0.622 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1F 771607429 MOYUTOAGVVHENN-UHFFFAOYSA-N 429.813 0.803 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772187783 FBPSNONMZOBNCW-UHFFFAOYSA-N 430.895 0.387 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 772831665 XTMAINOLWNSYER-UHFFFAOYSA-N 448.505 0.780 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779491288 MNXNOSJYNWULFA-GUYCJALGSA-N 443.504 0.623 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 779506541 YHGIDFRYYZPBMT-SSDOTTSWSA-N 439.288 0.557 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 787000888 XHYBYUDFQZSJNF-SFHVURJKSA-N 446.504 0.013 50 20 ICGD COC(=O)CCCCCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 788071121 KXOUYXACBLVLHV-UHFFFAOYSA-N 435.362 0.349 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 788177052 HGKKJSICLNHGGY-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccccc1O 792148972 UPCOVQHWVGQTAE-KRWDZBQOSA-N 429.351 0.550 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNS(=O)(=O)c1cccs1 794060135 BHHLGOAYCYPJGL-UHFFFAOYSA-N 426.476 0.100 50 20 ICGD N#CCc1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 794577663 ZAYKVHUWGBTKQZ-UHFFFAOYSA-N 428.879 0.677 50 20 ICGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 795275435 BZJKZSYREJQTGD-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD NS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C1 799917337 WJMAMVDJNIADFG-MRVPVSSYSA-N 425.692 0.820 50 20 ICGD COCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1 800730886 UYDSNWQHWZLOBO-UHFFFAOYSA-N 426.543 0.461 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnccn1)c(=O)n2Cc1ccccc1 807953916 BJWSZNGSDRZDSM-UHFFFAOYSA-N 432.444 0.368 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccn2ccnc2c1 810231175 VSUNHGKMNNWVIS-UHFFFAOYSA-N 444.473 0.822 50 20 ICGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 811691684 SBJQGYQSLJCCDT-UHFFFAOYSA-N 439.877 0.681 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O 913571532 JKIHGSSPLBYJRL-UHFFFAOYSA-N 447.448 0.295 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC2CCCC2)c1 914445385 XYINDCUMKOQTFR-CYBMUJFWSA-N 429.520 0.103 50 20 ICGD O=C(NCCc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915879528 MFTXITDEXJIMBI-UHFFFAOYSA-N 432.502 0.894 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)COCCOc2ccccc2)ccc1Cl 916133342 HUGNFRCBVHVNTR-UHFFFAOYSA-N 427.866 0.844 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1OC 916525416 HDYQHBJVEGMWRD-CQSZACIVSA-N 433.461 0.799 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)c2ccccc2c1=O 916741352 ZAYDSJVAFUMKOW-UHFFFAOYSA-N 448.439 0.927 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccc(Br)cc1)c1ncnc2[nH]cnc12 917907657 HGAXWXNHMSTKHK-UHFFFAOYSA-N 434.254 0.778 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 917921262 RMDLHJCJHICTBA-GFCCVEGCSA-N 443.913 0.584 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 918018834 DUMCPYZZHMOVCH-UHFFFAOYSA-N 446.460 0.981 50 20 ICGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918100020 HOJGABDETLJANZ-AWEZNQCLSA-N 437.522 0.426 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 919691851 BMSBTZSYRMPRJO-OAHLLOKOSA-N 435.506 0.289 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034012 ILIAVEISXZBIEM-AVRDEDQJSA-N 444.536 0.001 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/C1CC1)C2 1779371309 NGYOFEFGIWFTEP-WREJSRDGSA-N 427.505 0.779 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C(F)F)n1 1780310359 UZGSOXCVFCOBCP-HXUWFJFHSA-N 448.235 0.024 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334972 TYKCECXKDGYPIY-NFCNUSAFSA-N 437.460 0.464 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780806724 DSLFUHCDIJUJHE-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1C 1782212082 SKDPBTNJVVCWCL-XMSQKQJNSA-N 433.553 0.834 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783349975 XRHLHMPQZNLJHD-BONVTDFDSA-N 430.259 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3COc4ccccc4O3)C[C@@H]21)[C@@H](O)CCl 1784086153 VNMHUSTWHFUXND-GMHRPJKWSA-N 438.908 0.796 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21)[C@@H](O)CCl 1784091955 FYMRNMBPYLUSCL-AEIBSFOJSA-N 434.924 0.332 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1 1789557360 XCIQRADLRFKTGZ-NRFANRHFSA-N 447.536 0.144 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926678 FFYIGDBCCRQKPV-UHXUCMFUSA-N 430.274 0.878 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791063211 CWLZQDCHLHBBIF-QMVSFRDZSA-N 437.356 0.327 50 20 ICGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]3C2)cn1 1791252448 MMKDAQZONVLJSY-YXWQFLTLSA-N 426.901 0.722 50 20 ICGD Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289245 PJZAKJFXQIRBTB-BJLQDIEVSA-N 446.548 0.727 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795841925 VKLHDUJYSHYIQY-VPTLXERWSA-N 444.243 0.091 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362646 AFFWDDKDLYWSKI-XVIXHAIJSA-N 437.896 0.650 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccoc1)C2 1797754046 JVIWDLCGPMADBE-CCWDJLKJSA-N 427.461 0.114 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(F)cn12)c1cccc(B(O)O)c1 1801108050 ISGCKDDANGBDEQ-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD O=C(CCc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801526040 YUVRSBXFZUTUNA-OPMZPASUSA-N 440.280 0.342 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1ccco1 1803139136 UCEOIBLOGYWSBM-RVKKMQEKSA-N 434.880 0.710 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803143165 VVMRHFSDJCUMTN-DNMXQMFDSA-N 432.912 0.978 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805889344 HFFKOJATSJPSBC-IEBWSBKVSA-N 433.277 0.128 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807364830 UGGOLZPGQQHKKR-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n[nH]1 1809968195 NQGBMDSGSHLMOG-UHFFFAOYSA-N 438.293 0.451 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncccc1F 1811121460 HPNIALKNNOJGNR-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1 1813070800 KKSVJJKAGQUKPF-LAUBAEHRSA-N 427.509 0.357 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cccn1 1813428619 VJDCPGUUMFRCMW-MMOPVJDHSA-N 441.536 0.918 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1 1814159077 NVBKVNUHVQBBJO-LVCYWYKZSA-N 431.537 0.887 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1)CC2)c1cccc(B(O)O)c1 1815361612 LFDHYZOOVIFMQJ-HIFRSBDPSA-N 431.348 0.944 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc[nH]n1)CC2 1819794046 WXLDTBXIQFZSNV-SECBINFHSA-N 426.462 0.404 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1821496915 FNTYHIBJBWSIAY-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD COc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)nn1C 1821778318 LBFTWFWIVPOUDZ-LLVKDONJSA-N 449.537 0.484 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824884850 JAFFLOFVJWCABR-NRFANRHFSA-N 443.353 0.468 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825179394 BFIIRBKIEQJILZ-DLDHGHKKSA-N 445.505 0.455 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055960 PJYIMIVTLHRVJM-UTKZUKDTSA-N 426.322 0.638 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)no1 1828987178 PHQWIROFDFGZCD-DLBZAZTESA-N 440.928 0.932 50 20 ICGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1830000811 OFMKBAHFLRDBOU-LJQANCHMSA-N 446.386 0.960 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830534929 FDOGEDQOFCLJET-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537132 BTXZRSVSRBEEPL-FHWYHTKLSA-N 447.326 0.593 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728944 ZEQFTTLPBBYNRI-NQIIRXRSSA-N 448.907 0.542 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831191405 MUSKTDNKIAFSLI-AHIWAGSCSA-N 434.331 0.141 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831647206 SGCJSYSFNAYHDS-OXQOHEQNSA-N 425.913 0.712 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)C1 1833306116 YOYPKMVQXBHINB-DAYGRLMNSA-N 443.972 0.747 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4ncccn4n3)CC2)CC1)[C@H](O)CCl 1833309868 CBBGXTSJYPOXCW-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD Cc1nc2ncccn2c1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835374803 RZRQCBQFUIPCRX-KRWDZBQOSA-N 448.955 0.823 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837625703 HNCIFCSDJHUIDF-UZLBHIALSA-N 438.912 0.884 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837711897 WFXNHAWMUQOHHY-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839963436 KBFPOYRSNCQHFJ-IAQYHMDHSA-N 437.360 0.243 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1840149788 ACWFBNJIYHESBQ-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD O=C(C1CCC(O)CC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840274578 OCKOSSWXAUBFBO-TXBNBULBSA-N 437.306 0.684 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)n1 1840336656 ITHAFHCHZATWHM-WIYYLYMNSA-N 439.940 0.687 50 20 ICGD CC/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840631122 JAOWXZCLYYZPPS-LTVHSIDISA-N 431.493 0.111 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011566 QXEPALOIPOZQHY-UHFFFAOYSA-N 430.273 0.749 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2 1844284389 UHBJJDFQALJZBQ-FZMZJTMJSA-N 433.299 0.716 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)[C@@H]1COc2ccccc2O1 26977126 BLLUJURTYOCPGL-INIZCTEOSA-N 428.357 0.308 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1C 726765787 ZRMILAUIGHIFCH-UHFFFAOYSA-N 444.517 0.876 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 726863576 XWDWJLZLQOXOIE-UHFFFAOYSA-N 448.526 0.796 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 728203773 NLBKUUHROUIUIA-ZFWWWQNUSA-N 431.942 0.990 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)CC1 728213661 FIYABRWTNXANBX-KRWDZBQOSA-N 449.577 0.714 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 731186410 ODLVENLZHCADJW-UHFFFAOYSA-N 432.458 0.889 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733338169 RWFRHDHNGCNPCX-UHFFFAOYSA-N 427.509 0.807 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 733361086 NOQZPLSALZXQKJ-UHFFFAOYSA-N 435.344 0.849 50 20 ICGD CCCNC(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 733953847 PCRQUCLBNINXIY-UHFFFAOYSA-N 440.416 0.784 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1Br 735445822 AWBXRIQXAZRUGR-UHFFFAOYSA-N 430.284 0.508 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 741074094 VQIOSSDNJFYKGR-QWHCGFSZSA-N 430.527 0.541 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1 742035789 ZPYODYNKMCAKLF-LLVKDONJSA-N 427.914 0.747 50 20 ICGD CCc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[nH]c(C)c1C(N)=O 747693833 PVGTXXZCDVUAGQ-UHFFFAOYSA-N 447.517 0.844 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 748128563 CIDCIXCPBFCIOU-UHFFFAOYSA-N 446.894 0.299 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1 753784116 DWIYIHPQLLLIKE-KRWDZBQOSA-N 426.539 0.128 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc2)C[C@@H](C)O1 755420738 BUOMBOTTYTVGIY-CHWSQXEVSA-N 436.494 0.685 50 20 ICGD CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCCCC1=O 756576580 PLTNZZSHUBSJRW-MAUKXSAKSA-N 447.488 0.944 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 763462057 ISHIXZFXYVDGQS-SFHVURJKSA-N 437.456 0.649 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 764005338 YZHWJEJQLPUCPT-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 764230673 JCVRFOKAMQBHFJ-JTQLQIEISA-N 439.425 0.037 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1ccc2nncn2c1 766661229 UKJZEBDEDWLNSQ-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD Cc1nn(C)c(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] 766670821 ZYJWKTUQUDQEBG-UHFFFAOYSA-N 449.899 0.869 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 770513490 BARPRPHAAYAYKO-CYBMUJFWSA-N 446.957 0.947 50 20 ICGD Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771608492 SVLQVBHHKZVCJF-UHFFFAOYSA-N 425.850 0.973 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 771964101 TUPUYDXOYVSRRY-OAHLLOKOSA-N 439.534 0.859 50 20 ICGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897141 FUBOOOYAPWIABE-UHFFFAOYSA-N 430.914 0.309 50 20 ICGD COc1ccnc(NNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)n1 775444020 CSEPCCROQYLDFO-UHFFFAOYSA-N 438.466 0.663 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cn1 778575507 AOIZIJCEKMOPRN-UHFFFAOYSA-N 431.478 0.615 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 780711117 HDPCAZUXXHDHMQ-WVUXNXBLSA-N 446.551 0.073 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccnc(F)c1 781358364 OUJXPSKTAKCJHW-AWEZNQCLSA-N 430.483 0.446 50 20 ICGD Cc1c(O)cc(O)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1O 782109836 BHSBFXMFFZAEGA-UHFFFAOYSA-N 435.458 0.897 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)c2ccccc2F)CC1 782120456 FJXQBXIZBPSKGA-UHFFFAOYSA-N 441.463 0.890 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 782123084 BFLLPJAXERLKCO-CYBMUJFWSA-N 444.366 0.029 50 20 ICGD O=C(NNc1ccc(Br)nc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 784806692 NWYHGPGPGVYSCA-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)N1CCN(C)CC1 788165614 DGIOLPFKZQUQJB-UHFFFAOYSA-N 435.506 0.668 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C2 792920645 AUTFYBZRTUCAKL-UHFFFAOYSA-N 437.547 0.108 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 793022090 OVOZNSUDHLPEQN-UHFFFAOYSA-N 445.363 0.185 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C 794577544 YLSIBQLTOXKCKT-UHFFFAOYSA-N 441.487 0.298 50 20 ICGD CNc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 794809723 LBTVAINUFDRSEE-UHFFFAOYSA-N 447.517 0.538 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(F)cc1C 795313420 XCWDRODBNCPNOT-UHFFFAOYSA-N 427.410 0.643 50 20 ICGD COCCOC1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 796197528 RMIZFIXRYNKYOR-JTTJXQCZSA-N 436.461 0.739 50 20 ICGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 796990852 HDZLUUYYCFLBFT-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1=O 798308548 CUBPICAIPFWIBT-FUHWJXTLSA-N 429.521 0.722 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1cnc(C#N)n1 798827245 WZUJMSFSADOBAC-AWEZNQCLSA-N 442.439 0.930 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802064121 XUNKNSFIKIDOGI-JTQLQIEISA-N 446.532 0.671 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 806976927 OQORLPOGBBUAGD-UHFFFAOYSA-N 442.428 0.234 50 20 ICGD CO[C@@](C)(CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 813203586 PYHDGZQAIFMCKA-IBGZPJMESA-N 440.522 0.467 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1N1CCSCC1 815692226 MKSDRJZJUPGZKW-CQSZACIVSA-N 443.533 0.488 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 815780215 NWRKARIJGLDDBW-GOSISDBHSA-N 449.471 0.848 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C[C@@H](C)O[C@H](C)C1 920275689 HFJCYYQLJNQDEV-IIDMSEBBSA-N 440.566 0.832 50 20 ICGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1116292638 PHLJHXYFWPOBRO-OAHLLOKOSA-N 426.521 0.811 50 20 ICGD COC(=O)C(=O)NNC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1318876386 HXXRWAOSCPQKDL-UHFFFAOYSA-N 430.440 0.551 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@H]1Cc2ccccc2CN1 1778027630 PFSKLLLPZMKCDF-VQQMMKBISA-N 435.952 0.815 50 20 ICGD CC1=CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1778096206 IHLSAKBOUDSYBC-AOMKIAJQSA-N 427.505 0.875 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779383745 WEUULYHYWJFXGQ-OGHNNQOOSA-N 449.415 0.768 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979561 IRYMMWLKJBGVMR-FOIQADDNSA-N 436.896 0.976 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1)n1cnnn1 1780777661 XACDPHHXRCUBOD-FUTJPDQTSA-N 433.282 0.439 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1F 1781672003 CKICLFJFUNVHBS-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782454231 LFXBVYNQVUZFLN-CKEIUWERSA-N 428.331 0.966 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1783537323 NMEBABJTBAKTII-UGSOOPFHSA-N 436.310 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1783932911 KFSXQZPXNPGLTD-JOCHJYFZSA-N 427.505 0.304 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 1783934136 ZUXFGSBJHHTJJM-OAQYLSRUSA-N 433.509 0.370 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351369 KPHDJGCSRQLIFQ-AUUYWEPGSA-N 426.901 0.495 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)s3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979523 UWTDNAAAKSZGRW-BPUTZDHNSA-N 448.737 0.988 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789511272 PVVSSFRHWKFTNC-FHWLQOOXSA-N 427.505 0.525 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790228468 SERHVEWPKWZQPQ-IEZWGBDMSA-N 445.495 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCSC3)C[C@@H]21 1791292641 ZULCHCBSKDUDDQ-YVSFHVDLSA-N 426.583 0.482 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)c(=O)[nH]c1C 1792870188 LQJXEXDROJVFPO-WBMYTEFPSA-N 441.326 0.621 50 20 ICGD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795590455 DLYDSBMSYRYFMK-IVSAIRAKSA-N 446.976 0.708 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2)c1cccc(B(O)O)c1 1795740913 PFNBNFXMZBTTEQ-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1796893167 MWHDVYVJFXCZCR-UGYGMJENSA-N 437.522 0.193 50 20 ICGD Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)c2ccccc21 1797172942 NXURCSCOUSIPKF-DRXBFXEBSA-N 441.315 0.733 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ccccc12 1797359657 FJOAMFJHAHJZJI-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2 1797750600 LQJDQMYKLMJUQY-YVWYUNDQSA-N 449.467 0.948 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c([N+](=O)[O-])c1 1799401852 JWKZTPHTRIJSPD-ZDFLXESQSA-N 441.868 0.335 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1800975003 HUHIMIBKCWAIEL-UMPJEAMMSA-N 436.896 0.423 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374593 ICQDXABKIYDPHP-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1807528473 JDHYHPHQMWSZCC-HRAATJIYSA-N 443.508 0.395 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810973973 CCIYVZMMHAVRRH-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1813072822 KUQUZGJAQACNQQ-DYESRHJHSA-N 437.504 0.974 50 20 ICGD COC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339890 SDKPLEIJGBYFNH-ZDUSSCGKSA-N 431.279 0.002 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1[C@H]3SC=C[C@H]31)CC2)c1ccc(B(O)O)cc1 1815348453 PBKKUAASXDBBHR-GFOFROLCSA-N 441.343 0.924 50 20 ICGD Cn1cc(F)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356574 JJPUCPUEXMMODK-AWEZNQCLSA-N 442.281 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncn2)n[nH]1 1818177044 OAKXPSZSQOTABL-INIZCTEOSA-N 435.448 0.818 50 20 ICGD CC(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819790747 JFUOEQHDIDQADF-NSHDSACASA-N 432.506 0.792 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820150026 XJKNFQBICAGYFA-NWDGAFQWSA-N 436.538 0.119 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1 1820336472 DHMHNYXGNSKJHM-LLVKDONJSA-N 432.506 0.843 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412602 SBLLBZVGNLYBJJ-GOEBONIOSA-N 435.529 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnccn1)CC2 1826091958 HLJACIAVJGYYQD-CYBMUJFWSA-N 445.549 0.851 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726550 ZSEMYAWMXBUPIR-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830736161 RSLKRQLLDHRTJL-HNAYVOBHSA-N 432.851 0.943 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805989 YYIHUMDBSNQPIO-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682385 FWHOQNYSMFVAIW-KSSFIOAISA-N 445.358 0.508 50 20 ICGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccc(Cl)c1 1835724607 NRDHJMRDJCFKMK-GJYPPUQNSA-N 446.331 0.396 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993437 XQRDICFBXVFVCV-FQEVSTJZSA-N 425.913 0.570 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836160901 AEYOHFFYFKOVTD-YOEHRIQHSA-N 429.315 0.371 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1836395566 ISXXYNMZGGQVQW-OAHLLOKOSA-N 449.943 0.620 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837247178 TZANPHXWHWFYMD-RMKYTRAYSA-N 439.372 0.385 50 20 ICGD N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1 1837921032 UEBWJOOKLADRAN-UHFFFAOYSA-N 439.321 0.672 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838857068 PMUPJBCSSGYDRT-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839063813 XZCWWVPCRURXKU-GPMSIDNRSA-N 446.386 0.816 50 20 ICGD O=C(Cc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199615 YJTGZAIMAJHSHG-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839955928 ZJQPXNFMFQAWFK-UTKZUKDTSA-N 440.924 0.948 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839963219 DWCAMVARLQEDCQ-GUYCJALGSA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840031269 KVOLOAWOXWXBJL-CXAGYDPISA-N 429.315 0.582 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034514 NYGRNIHNLCLDBI-XIKOKIGWSA-N 443.342 0.809 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188545 OVWVRERNESZPDN-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD O=C([C@@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013015 YXMKLAWIOKGOET-RTWAWAEBSA-N 434.301 0.479 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1NC(C)=O 1844746921 YIGSJQMEWWATGD-UHFFFAOYSA-N 445.520 0.844 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1846176746 AMPORBIDMMKZEH-RYUDHWBXSA-N 434.331 0.859 50 20 ICGD CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 10215656 STFABSCJRLVWJS-UHFFFAOYSA-N 447.469 0.893 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 25453311 UHSBISKFVBAALO-UHFFFAOYSA-N 426.480 0.094 50 20 ICGD Cc1ccc([C@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)cc1 726102238 JTTDBOJJHGMFKA-KRWDZBQOSA-N 429.477 0.722 50 20 ICGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728853915 HSBXPKPDJBPPLZ-UHFFFAOYSA-N 437.478 0.699 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275931 SKIYFDGSIBQUTN-GWCFXTLKSA-N 446.913 0.038 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(-n2cnnn2)cc1 730516203 UYKXDJMBLPHECL-INIZCTEOSA-N 449.427 0.248 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)COc1ccccc1O 730835747 LHYFNPSBQCTSJZ-UHFFFAOYSA-N 427.866 0.940 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732261123 ATSHKOXLSAYYAI-BETUJISGSA-N 445.524 0.024 50 20 ICGD CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 732409457 DABMCRIVRHIJMP-QPJJXVBHSA-N 442.428 0.476 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cn1C 732976942 SRBFVEVFIMHWKI-UHFFFAOYSA-N 425.858 0.854 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)cc1OC 735868305 PXSSMIIPPBBKLS-ROUUACIJSA-N 447.580 0.955 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@@H]2CCCCO2)c1 740809810 DAHBGUGWCCHUFB-HNNXBMFYSA-N 433.552 0.850 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C[C@H](C)O[C@H](C)C1 741027473 ZQHNWAAEDFLBNZ-ZDUSMZPESA-N 449.504 0.651 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 741092949 LBOGTAWDYVSFED-UONOGXRCSA-N 446.551 0.237 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)ccc1OC 744555312 WDVFNLNXAFCMLD-UHFFFAOYSA-N 435.458 0.530 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 751211756 ULOPVLAKGFFNEH-LBPRGKRZSA-N 444.469 0.450 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cnc2n(C)c1=O 755846918 PCKBPBAQKFMTRZ-UHFFFAOYSA-N 440.445 0.550 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 758040045 NHZPAYCVTAKXBM-ZDUSSCGKSA-N 439.515 0.359 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 763431892 VUGQJSBPJMRDAN-UHFFFAOYSA-N 430.424 0.944 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(CCN2CCOCC2)cc1 763552255 YCIRDFZDCCYYEL-UHFFFAOYSA-N 440.456 0.690 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 763679287 LYOZRYQKVMEMII-UHFFFAOYSA-N 445.435 0.933 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807687 FFPMLVDTBMFMNA-UHFFFAOYSA-N 444.469 0.905 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cc2Cl)CCN1 763918530 GVBAWODVZVWUFF-UHFFFAOYSA-N 447.854 0.744 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1F 764169494 WIVFJJBDWZELMZ-CQSZACIVSA-N 439.396 0.458 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)c1 764229950 GDOXRAMBQBSGMK-UHFFFAOYSA-N 449.261 0.885 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 764398999 JAGSTSVEPGVHPY-MJBXVCDLSA-N 440.472 0.577 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 764427940 GMESZASPHCHMQB-INIZCTEOSA-N 436.428 0.640 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1Br 764431336 BLXSPDBBNQLWEL-JTQLQIEISA-N 440.172 0.969 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 766661218 TXAXDHLHXDPXLV-INIZCTEOSA-N 433.940 0.616 50 20 ICGD CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 769568876 CYAMMYBOKKIHDB-SNVBAGLBSA-N 428.515 0.367 50 20 ICGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 771007453 YQVJLPDEFSIRAS-OAHLLOKOSA-N 448.567 0.115 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 773411431 LJYHELMTNBSTQR-AWEZNQCLSA-N 432.543 0.453 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)nc1C 778425573 UHPUHUGOHBUSSO-UHFFFAOYSA-N 449.489 0.740 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nc1 782142941 VPHJNRWGEMXPMR-UHFFFAOYSA-N 436.494 0.488 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccnn1-c1ccncc1 784215165 CYYWNUDCDJXMOB-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NNC(=O)C(=O)N3CCCC3)cn2)C1 784637799 OSYMSULBQQCPMW-HNNXBMFYSA-N 434.497 0.839 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NNC(=O)C(=O)N3CCCC3)cn2)C1 784637802 OSYMSULBQQCPMW-OAHLLOKOSA-N 434.497 0.839 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1F 785022930 BUXFYWNXJFLABS-UHFFFAOYSA-N 436.352 0.864 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 786725895 YVRRBWRNCPTCAU-WDEREUQCSA-N 440.927 0.498 50 20 ICGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 787126220 LZOHLSWHJFHZMU-JKSUJKDBSA-N 435.956 0.897 50 20 ICGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788622855 CFDHTFCZPLFSNC-MLGOLLRUSA-N 432.458 0.423 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCc2ccccc2C1=O 788762662 SEVGAVGWPODLCE-UHFFFAOYSA-N 449.511 0.290 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N(C)CC(F)(F)F 793712530 VRIZBLRNPFEYOQ-ZDUSSCGKSA-N 437.488 0.948 50 20 ICGD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 799257488 LHJVLJITDWWOIU-MRXNPFEDSA-N 430.373 0.919 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 803396286 FWTASIIQYOTXTM-UHFFFAOYSA-N 449.917 0.686 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)cc1 812727510 UCGFEBINSWNXLS-HNNXBMFYSA-N 435.428 0.954 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(OCCCC(=O)O)c1 814785341 QRKFPQDISZXIHM-UHFFFAOYSA-N 449.489 0.355 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 815751765 NPBYJXVFQIRLCQ-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COCCN1C[C@@H](C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1=O 914461790 VDVDICQHTDCAPQ-RYUDHWBXSA-N 428.283 0.859 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2c(O)nn(C)c2n1 915188785 RKCCLMXARVDMMO-UHFFFAOYSA-N 431.478 0.659 50 20 ICGD O=C(COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)NNC(=O)c1cccs1 916530778 UTJLGEDQHKFZHV-UHFFFAOYSA-N 430.442 0.818 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 916646686 HSQTXYQCAGFRSF-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)c2ccccc2c1=O 917387795 MOABYPZVLLROGS-UHFFFAOYSA-N 449.533 0.944 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nnc2n1CCC2 1116011610 CYQCLIIBHORSLQ-ZDUSSCGKSA-N 447.521 0.714 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777709570 BKTGIRWPEXQRLX-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3cnn4C)C2)C1 1778031246 BMDUVRCZRQPASL-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1 1779031648 VEFQNNDXOYXQPF-QFIPXVFZSA-N 441.463 0.510 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1779295234 BKJJDKCMKUVNAC-MAUKXSAKSA-N 426.615 0.694 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1779298767 NMGVNZAEXJUOQP-HXUWFJFHSA-N 445.552 0.385 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779326264 ZWGYYETVQYYLMX-UYAYXHRUSA-N 447.374 0.991 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1780380129 JIHQTQAXDIBFLY-OAQYLSRUSA-N 441.492 0.220 50 20 ICGD COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1783765185 GQFYUBOAVFHLIN-JFMONLCZSA-N 426.897 0.308 50 20 ICGD CCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1787229969 IDPLLNWVMZCGSA-CUWPLCDZSA-N 437.305 0.231 50 20 ICGD O=C(CCn1ccnn1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149167 BJCMAKYZEBPXOZ-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)N1CSCSC1 1788682695 MUBGAIJFBCULBI-FQKPHLNHSA-N 438.015 0.609 50 20 ICGD COC(=O)c1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)s1 1789687948 AUGKWLWTRCPMAD-MHEUCROKSA-N 444.937 0.657 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922190 AEKWBEBQUFZVEJ-JURCDPSOSA-N 447.305 0.813 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1792868048 ROOWDYMHPDUZJH-PNBKFKSVSA-N 432.359 0.329 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1793012099 LEBZFUQIIOZTIR-AICCOOGYSA-N 433.933 0.764 50 20 ICGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795299317 GBPPHGUSGHKWIE-CXHZTBPHSA-N 444.937 0.040 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2)c1cccc(B(O)O)c1 1795741078 YVVBHJAZMIGWPR-GMQQQROESA-N 434.301 0.300 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(-n2cccn2)nc1 1796191845 FNRKCKMVYHKLLE-ACDBMABISA-N 445.288 0.513 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C1CC1 1797196217 HMOPQIOKBLHYRQ-CLLJXQQHSA-N 441.517 0.980 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797750769 SLTSVBAQXUMOLG-UPHUGPLXSA-N 437.500 0.439 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 1797750969 XHQDTHINIZIYKG-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nscc12 1800035745 GTLOKOCFHDNKIC-VTEUUUEMSA-N 445.545 0.873 50 20 ICGD O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)[C@@H](F)Br)CC3)C2)C(=O)N1 1806695780 GGFLNXISSDTGFW-CYBMUJFWSA-N 433.278 0.460 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806925063 BEWSMHSRJORLEA-JTSKRJEESA-N 444.536 0.083 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807055677 NJMMXJXOALTGBE-OSAQELSMSA-N 425.331 0.601 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374922 PIYPOWPQBRZTIU-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD COc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n(C)n1 1807525602 PQROFSSBIFTKGN-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)N1C[C@@H]2C[C@H]2C1 1809978761 OYSPXOURXOCZLF-HOJAQTOUSA-N 439.365 0.551 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811189370 VJYXQXCHGIGBBB-ZQIUZPCESA-N 446.895 0.544 50 20 ICGD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cnn1C 1815355593 WYNQCRZEBFOHDI-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD Cn1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1=O 1817470725 XGUVSINYMCDVBS-SFHVURJKSA-N 449.276 0.408 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)c1ccc(B(O)O)cc1 1817471217 HKKYWOYYZZROPY-SFHVURJKSA-N 449.276 0.257 50 20 ICGD Cn1ccc(=O)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820167282 CZXAZSZBQQYEMQ-SFHVURJKSA-N 449.276 0.408 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821631608 BZFCQYJHUHAQJF-HGZMWJMZSA-N 439.281 0.435 50 20 ICGD O=C(O)CSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822424988 MPGDPMBISMXAHX-OAHLLOKOSA-N 446.294 0.213 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1827060420 IHNHEGFIQCECLF-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827567463 VHNRIRAFPAYJAQ-IAGOWNOFSA-N 438.573 0.426 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c1=O 1831888184 XKEFSGHNFKVQEZ-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1831947831 YYVYSNLRGOQVKU-SFHVURJKSA-N 442.310 0.945 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832066431 FWKQAIKHZJDZTI-MPGHIAIKSA-N 432.359 0.711 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832363201 OYYUUOKXHZKAKK-XLIONFOSSA-N 440.899 0.913 50 20 ICGD Cc1cnoc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798303 FPALQZCQHPTABE-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835870924 PVGSAYLLGNSALE-UHFFFAOYSA-N 447.584 0.585 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1)C(C)C 1837224681 XHOGESAKTPWNJH-DHSIGJKJSA-N 449.342 0.814 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837482992 HUXSMWALUPJJLJ-DOXZYTNZSA-N 425.917 0.751 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3nccs3)CC2)CC1 1837545947 PDCGRSFXMOSCOY-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837944489 COWCRRASYQEOIT-HNAYVOBHSA-N 440.884 0.652 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838493878 HHEIWOSZYFUWNW-FOIQADDNSA-N 449.895 0.141 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1=O 1839198319 BZXZEUGORJHGFJ-CXAGYDPISA-N 446.273 0.146 50 20 ICGD O=C(c1cccc(F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200153 GJRPKPOOQQPHFJ-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839963135 AUFAULGEXQBXAM-KSSFIOAISA-N 443.342 0.972 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839963453 KTSDGZWROKNVHQ-MEDUHNTESA-N 447.355 0.969 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034688 TWTVDDSBBAVAHS-KDOFPFPSSA-N 447.326 0.736 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186151 DEENSIIUACSQKL-KRWDZBQOSA-N 431.276 0.054 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484704 FTERMAHZVTVOMR-ACJLOTCBSA-N 442.310 0.448 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843671606 KBNAMJQNVJPEBQ-UHFFFAOYSA-N 428.493 0.245 50 20 ICGD CCOc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1844833294 OLSLDKUJAZDGPH-UHFFFAOYSA-N 425.449 0.005 50 20 ICGD Cc1c[nH]c(=O)n1-c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 115684884 NWOZQOCBUOBYSN-UHFFFAOYSA-N 443.485 0.799 50 20 ICGD O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NNC(=O)C(=O)NC1CC1 726618519 FCTYWXZJYPMZTQ-UHFFFAOYSA-N 442.803 0.063 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845091 GHAALUISSRORIU-CQSZACIVSA-N 436.472 0.834 50 20 ICGD O=C(NN=C1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 729816738 RMOXSMFWXLXTLA-VIFPVBQESA-N 435.321 0.882 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 730569884 BBFRVOAVXDUCHQ-UHFFFAOYSA-N 443.445 0.420 50 20 ICGD O=C(COC(=O)c1cc2c(nc1O)CCCC2)NNC(=O)[C@H]1COc2ccccc2O1 731740361 QTEKPTFTZQLSAQ-QGZVFWFLSA-N 427.413 0.810 50 20 ICGD CC[C@@H](C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 732133524 CKVNUXPOMGUSCA-CQSZACIVSA-N 432.458 0.583 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCCN3C(=O)CNC3=O)cc12 733657864 OQSMVDKGAPHJHH-UHFFFAOYSA-N 441.473 0.891 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 734807294 ZACRWXVFNHOUHZ-UHFFFAOYSA-N 433.284 0.168 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1-n1cncn1 742033196 JLWBFVMYZVYRMB-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 742037449 XKXYEXJNGRXLBI-WCQYABFASA-N 441.485 0.458 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)Nc1ccc(OC(F)F)cc1 743575342 GMEBCDUYTZPPHB-UHFFFAOYSA-N 437.425 0.286 50 20 ICGD CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NNC(=O)N(C)C)c(O)nc1=O 746003220 CFGJJFBAZNAXCV-UHFFFAOYSA-N 439.517 0.403 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccccc2)on1 746307551 TVHPVJNGHFOBFT-MRXNPFEDSA-N 427.461 0.283 50 20 ICGD CC(C)NS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 746972039 GCUJMCMLOAHZBJ-UHFFFAOYSA-N 432.446 0.934 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 748111006 FXFXWYXSZBPRET-UHFFFAOYSA-N 442.538 0.490 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)NNC(=O)c1cccs1 749296707 UXBZPRKIYAAAGV-NSHDSACASA-N 443.528 0.967 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 751211126 CHJDGWXIKFUWBD-RBSFLKMASA-N 430.461 0.523 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)C(=O)N1CCOCC1 753046137 CRWKISYSORTURE-CQSZACIVSA-N 443.298 0.796 50 20 ICGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 754974837 RZOILQBKZZAKLG-IBGZPJMESA-N 437.474 0.654 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)Cc1cccnc1 755409121 QVTYMSIPXPWNKB-UHFFFAOYSA-N 449.489 0.507 50 20 ICGD O=C(CCCCC(=O)NN=Cc1cnc2ncccn12)NN=Cc1cnc2ncccn12 755491797 WUGVZBZQGTZIRI-UHFFFAOYSA-N 432.448 0.933 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 755862460 QCHRHMGYWOILHE-UHFFFAOYSA-N 428.401 0.714 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1OC 756761943 RYAXRFUFOGWUBA-UHFFFAOYSA-N 425.467 0.802 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 759659861 CJHFOQFVJIFYPK-KRWDZBQOSA-N 432.568 0.502 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 761721553 RISPSSZYFZDXPA-ZDUSSCGKSA-N 432.506 0.965 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1C[C@@H](C)N(C)C1)c(=O)n2Cc1ccccc1 761804662 DVNXNSMUBFCBAA-OAHLLOKOSA-N 437.504 0.624 50 20 ICGD Cc1c(C(=O)O)cccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763277803 FSHWQTXSKBKRIK-UHFFFAOYSA-N 441.487 0.567 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 763624967 QCOAOAPRFLHYTD-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 763746475 XTGWZOWDVXLGDM-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD O=C(NNC(=O)c1cccc(Cl)c1)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 763748334 RGXYSJQPABNTQP-UHFFFAOYSA-N 447.883 0.734 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc21 763813453 MCSTZLDVIHLZEA-UHFFFAOYSA-N 448.439 0.424 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)n1 763892888 MNYRXZHGAGUJBX-MRXNPFEDSA-N 428.493 0.679 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1NS(C)(=O)=O 764035202 OVTUOWMMEOYHJA-UHFFFAOYSA-N 426.476 0.457 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764166933 GDRVTNOGUHUGTJ-QGZVFWFLSA-N 426.429 0.291 50 20 ICGD COc1cccc(OCCN2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)c1 767048498 MKUIBDJLNMEQET-UHFFFAOYSA-N 447.561 0.847 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 767166450 BIHYQGDKQQMSCM-ZDUSSCGKSA-N 448.571 0.536 50 20 ICGD COc1ccc(C(=O)NNC(=S)NCCSC)cc1S(=O)(=O)N1CCOCC1 769768618 FKOKNRLWZSDXAC-UHFFFAOYSA-N 448.592 0.188 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 778437698 JIQVHMMSDLDSRW-SNVBAGLBSA-N 441.466 0.933 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1csc(N2CCOCC2)n1 779488960 KANMYAQYIFZXMA-ZIAGYGMSSA-N 449.514 0.445 50 20 ICGD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1(C)C 780233449 GSGNTIPOLGUREI-VLXJIEOASA-N 447.554 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 792266356 QGQUBEHFDIJWPS-HNNXBMFYSA-N 433.852 0.516 50 20 ICGD COCCOc1cncc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1 801163032 FDPSZBHKVWHPBR-UHFFFAOYSA-N 436.490 0.885 50 20 ICGD O=C(NCCCOC(F)F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 802441212 YEQALDZLQLYHQU-UHFFFAOYSA-N 436.437 0.281 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976471 QOZBXVXLDJQNLV-GHMZBOCLSA-N 428.367 0.122 50 20 ICGD C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807507386 QNAZHTZILJWRKN-GOEBONIOSA-N 440.522 0.324 50 20 ICGD CC(C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 813421309 SHFFGZDDIXJERW-NSHDSACASA-N 437.927 0.410 50 20 ICGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 814360977 QSEFFMBVCBMHCC-GOEBONIOSA-N 425.507 0.674 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1Br 815576337 OLZJQBDKVMQZQM-UHFFFAOYSA-N 441.198 0.959 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 815778313 LLROUWSOMXTFMM-GFCCVEGCSA-N 437.254 0.354 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 815779709 RSMWVRRIUWNJED-CYBMUJFWSA-N 444.897 0.389 50 20 ICGD Cn1cc(Br)c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)n1 815964654 ODZGUGKVVANWAV-UHFFFAOYSA-N 430.122 0.623 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnnn2-c2ccccc2)cc(OC)c1OC 821124490 VZCZQVRLAVOGKP-UHFFFAOYSA-N 433.446 0.916 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)c1cnn(-c2ccccc2)c1 1339049066 VDERHXBYWFLJEB-UHFFFAOYSA-N 426.458 0.809 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037388 ZHIVBYZRKYHNAM-MSOLQXFVSA-N 444.319 0.365 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)no1 1781330953 IYFNNDLOAQWGAT-HOCLYGCPSA-N 447.261 0.832 50 20 ICGD O=C(c1cnn2ncccc12)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331147 LTBNTGXQVCYETE-BBRMVZONSA-N 426.246 0.863 50 20 ICGD O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1781486448 KTSHOMXFOGZIFO-SRCQZFHVSA-N 445.289 0.448 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1781996262 FVIWGLMDAIMPEU-RVZJWNSFSA-N 442.310 0.997 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210759 IAFNMQGVFMYWFK-DYESRHJHSA-N 435.525 0.738 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213628 ZXTNQSUSFDBNTN-CSODHUTKSA-N 425.574 0.214 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1783933479 LBIJTGPDIIXYMH-NRFANRHFSA-N 435.500 0.356 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1C(F)(F)F 1784090839 OEYKZJQHNUZILP-BJDJZHNGSA-N 438.834 0.632 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785021872 WURWTLGPJOTQMQ-OMZCGLGVSA-N 435.952 0.623 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1 1785478566 OBFHZFVDKRTRNY-QRWLVFNGSA-N 445.944 0.673 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978632 GABXCVDOEFQLQX-VDGAXYAQSA-N 446.378 0.636 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4CN3)[C@H]2C1 1787454337 XFCIBYVUNDJZIW-FSGKZVOOSA-N 435.952 0.934 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788750386 GTPWOOHBYTWAGZ-VIQHNZTISA-N 425.913 0.643 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21)[C@H](F)Br 1789927081 PRJZWIOHDJNEIO-CFMVVWHZSA-N 430.274 1.000 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1ccnn1 1791100815 QCHULIKBWRLWAH-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1791252619 QEULQZAYGCKJET-ASHKBJFXSA-N 426.857 0.022 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793687310 AZRZIERRIDSSTG-JVWRJRKNSA-N 431.249 0.920 50 20 ICGD O=C(CCc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794182314 VILOJHMQWOYNGW-CWPLJXCYSA-N 428.319 0.264 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795445787 DJYBJXBKIOLBKI-DFGXFYAUSA-N 445.402 0.387 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2)c1ccc(B(O)O)cc1 1795734239 KRQAQPNNZYLAKT-RMFSNUHRSA-N 433.273 0.365 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)[C@@H](F)Cl 1796367820 WZNQMBNCOFNYOB-ZMJPVWNMSA-N 430.889 0.016 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796371500 ZJHQUWJJHZSQQC-WTNVTLLGSA-N 443.878 0.997 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1oncc1C)C2 1796441735 WNYVKYIRANFYJW-QQGSHNGGSA-N 428.449 0.320 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 1797749706 KVDMGQRFMNBCGW-CULMDFNYSA-N 449.920 0.917 50 20 ICGD Cc1ccncc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009470 KWIMROSSAWHKDD-OPMZPASUSA-N 431.537 0.285 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1C 1801653128 WBJATFFDZCCXOX-VPTLXERWSA-N 432.521 0.580 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)n1 1802333093 MISYRFHJAVPCEL-MUJYYYPQSA-N 430.509 0.665 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H](O)c1ccco1 1802519725 LTBDBRZMEWQYHO-IOMROCGXSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CCCCO1 1802584555 MZWOCOLYTUMTOJ-SESVDKBCSA-N 437.305 0.650 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364090 PBAXEASGMUQUHN-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1808660655 BDDOLYVHSVKFMS-UXOAXIEHSA-N 444.305 0.371 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809029927 NYRYQRFWTCJZEZ-CMDGGOBGSA-N 428.294 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1813072774 KLAVSCFYDLBLOD-FIKGOQFSSA-N 444.536 0.081 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1 1813073899 POGFYKQHTOMJLP-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)no1 1814874152 YIGZSXXOPBMXPK-KGLIPLIRSA-N 438.872 0.728 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2 1814927332 BDOBDIPYSXDROI-WRWORJQWSA-N 433.307 0.586 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814985804 QQXYJUKQYVGNBF-ZDUSSCGKSA-N 449.581 0.710 50 20 ICGD CNC(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[nH]n1 1815140913 AERYXRUXZHHIAT-ZWGXDWAISA-N 442.480 0.672 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822711489 LWSBAOGFQZLREG-HZSPNIEDSA-N 444.001 0.945 50 20 ICGD O=C(CCN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1823569231 PMOJBXYCUXHLLA-LJQANCHMSA-N 439.325 0.881 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824304281 SBJHCISDGUDCGO-NRFANRHFSA-N 436.321 0.632 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2csnn2)CC1 1824659254 NEANGTPQHRHFQL-GOSISDBHSA-N 428.323 0.765 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825285953 NDLLKHPMKJYQEF-NRFANRHFSA-N 436.321 0.632 50 20 ICGD O=C(C(Cl)Cl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401639 QOMHFELMTTYIPH-GFCCVEGCSA-N 442.307 0.850 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722942 KVXHOWPMQACYEP-QFBILLFUSA-N 432.851 0.563 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830728325 RQCCQEUBVGNUQU-YWZLYKJASA-N 440.928 0.444 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735708 MAWLQLHBKYUYIE-JXFKEZNVSA-N 434.880 0.300 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831079263 TUZDKBHTXQIEMX-DGWAXEAPSA-N 441.337 0.640 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1832295701 OSFAGLZMTIKJIZ-LJQANCHMSA-N 429.590 0.163 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681058 NLKFHCYOCPOIAF-LPHOPBHVSA-N 427.885 0.171 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1833398458 CNJDDVAHNZIQJU-PBHICJAKSA-N 449.888 0.090 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1nc2ccccn2n1 1834968575 YNDAFSKFYLDYTG-MRXNPFEDSA-N 434.928 0.514 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719462 SWCMJTFAZSFJBS-HNNXBMFYSA-N 442.900 0.159 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837714784 NJZSWWYEWSZIIW-ZFWWWQNUSA-N 441.370 0.985 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837715521 VGEYOERJAQWGDD-DCXXXQMHSA-N 439.629 0.635 50 20 ICGD O=C(c1ncccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838250890 ZDVOOKORSCCRFS-CZUORRHYSA-N 434.237 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1840154933 KTAJHOQPWQWMHK-CWTRNNRKSA-N 448.850 0.994 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1O 1840185063 HBENPKAPPYCNFH-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265215 GSXDXRIGOCDVAN-CABCVRRESA-N 443.504 0.482 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(-c2ccccn2)nc1 1848293592 AXMCCTCYQKEEFG-PMACEKPBSA-N 443.272 0.348 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 11238051 MATKGSVHBUZSLL-CYBMUJFWSA-N 426.429 0.703 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(CNC(N)=O)cc2)cc1 21778897 WNZJKXKBHQKQLX-UHFFFAOYSA-N 433.490 0.245 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2c(C)nn(C)c2n1 24347989 JCHZKXNPTOXQRE-UHFFFAOYSA-N 430.490 0.910 50 20 ICGD CC(C)(C)NC(=S)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 28716612 LRQQIKCBTDQFCZ-UHFFFAOYSA-N 430.552 0.810 50 20 ICGD CCN(CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 726281407 QIMQFRUOWHFDHB-UHFFFAOYSA-N 439.538 0.136 50 20 ICGD CN(C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1)C1CCCCC1 728575852 KHRBQOCGKLZGIF-UHFFFAOYSA-N 433.528 0.995 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)cc1OC 728856082 NKAADTGPBVORHC-QGZVFWFLSA-N 426.473 0.880 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2CN2CCOCC2)c1 740748917 DDEFYULBIFRUNV-UHFFFAOYSA-N 446.529 0.844 50 20 ICGD O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)C(=O)N1CCCC1 748240000 OVWGILKSDDDBQI-UHFFFAOYSA-N 437.522 0.188 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 751206356 FNABHSDVGUYQHL-UHFFFAOYSA-N 440.503 0.246 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 751209006 JHIKTBNVUACKBH-FQEVSTJZSA-N 443.485 0.401 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752167477 OQKPDRBKZBWFII-AWEZNQCLSA-N 436.515 0.868 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 753563037 KLJYDMSZIYXMNU-UHFFFAOYSA-N 433.446 0.160 50 20 ICGD CCOc1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OCC 755535522 PNONKOIOXAQONM-SNVBAGLBSA-N 430.439 0.980 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)Cc3cccnc3)cc2)CC1 756360811 VSLCLVNJPAZXGZ-UHFFFAOYSA-N 439.520 0.687 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 758028311 DMDZYXMSSUTJJX-SNVBAGLBSA-N 437.444 0.402 50 20 ICGD COCCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCC1 761780366 IIZUUSAUMCDBHD-UHFFFAOYSA-N 440.570 0.851 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc(Br)ncc1F 762417186 GCCBCWRGXAQSRK-UHFFFAOYSA-N 445.274 0.408 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 763512255 OKWDXHVBIQVPJT-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)CC1 763550775 GUHOZTZCTGUUES-UHFFFAOYSA-N 439.472 0.562 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 763601081 NYWXPEGILGQACX-UHFFFAOYSA-N 425.405 0.387 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763978552 LDPVSDZLOWHNBO-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764265617 BVJSZQPWCMJIJY-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1)C(=O)C(F)(F)F 764267108 NRVADVUVTQYRAQ-UHFFFAOYSA-N 437.378 0.931 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765314332 XATWOPVXNLQUFI-NSHDSACASA-N 434.540 0.867 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cncc(Cl)c2)cc1 768268834 ITZKXBPTFJFXKX-UHFFFAOYSA-N 432.911 0.674 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 768277016 QZXMFTFKJMLRQC-SNVBAGLBSA-N 435.441 0.077 50 20 ICGD O=C(NNC(=S)Nc1ccccn1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 768580778 JMUNTTMVANQBQS-UHFFFAOYSA-N 439.494 0.873 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)nc21 770979066 CJNXOCGBYBMQOI-AWEZNQCLSA-N 445.505 0.754 50 20 ICGD CC(C)[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 772608357 VCXGPWBFKUQTMC-NVXWUHKLSA-N 440.570 0.847 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 773700350 JJWSXVVXZCFOPJ-OKILXGFUSA-N 425.449 0.472 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)n1 773724493 POHDGJHVNJUXMW-MRXNPFEDSA-N 441.492 0.733 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1OC 775704564 BTNOMQOZJNOGEU-AWEZNQCLSA-N 427.417 0.921 50 20 ICGD CCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 776885772 TUUJANCRYZXLOO-UHFFFAOYSA-N 429.462 0.600 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCC[C@H]1CCO 779710394 FVDFPYBUBXXFKE-WMLDXEAASA-N 440.522 0.203 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 782965698 HSXIICSTERSIQT-UHFFFAOYSA-N 447.455 0.358 50 20 ICGD CC(C)OCCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 783322407 OTPLDCIQKAGPDT-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 784000533 ZPUUYCKEWLANHH-UHFFFAOYSA-N 429.458 0.709 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 785331776 ZTZIOFPBSVYYTP-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 786764528 DUGGSCPCJZCSNO-LBPRGKRZSA-N 434.327 0.602 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC2(CCOCC2)O1 790496919 PMCRXBWXWZQBLF-ZDUSSCGKSA-N 425.511 0.604 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 792026549 XPZZUXZUEMUJBX-UHFFFAOYSA-N 443.528 0.887 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CCS(=O)(=O)C1 800627011 DPOGYKDUSXQSPH-AWEZNQCLSA-N 427.376 0.903 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NC2CC(NS(C)(=O)=O)C2)N(C)c2ccccc21 801457553 JVWWTSALGYHKCY-UHFFFAOYSA-N 431.518 0.853 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2n[nH]c3ccccc23)CC1 806872868 OXAQCDFMQLSUOX-UHFFFAOYSA-N 429.506 0.580 50 20 ICGD C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807507384 QNAZHTZILJWRKN-GDBMZVCRSA-N 440.522 0.324 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1C 915141915 QFRWKLHYOVDXKJ-CQSZACIVSA-N 434.474 0.553 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 915261602 SAQYEDCPXFLSII-QGZVFWFLSA-N 448.545 0.881 50 20 ICGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 918108334 HGRCEVDJUGGIPF-MRXNPFEDSA-N 437.456 0.804 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1OC 920240245 ORNVMTKNQVBBOD-AWEZNQCLSA-N 428.511 0.852 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1F 921247816 LKMAZVIZOQECNT-UHFFFAOYSA-N 425.398 0.656 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1318463623 PALFCLGUVXTXTQ-HNNXBMFYSA-N 435.506 0.897 50 20 ICGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)CC1 1318501981 OEUDYDVPCYGCCT-AWEZNQCLSA-N 437.570 0.092 50 20 ICGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1319952246 JWMUHIUVKILOPF-AWEZNQCLSA-N 449.533 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1779029970 CNFOFSWWPPBULN-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(F)nc2)C1 1779636914 OCRNFSMCXQHNJS-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781135135 TZYLFJIYUSIPRE-JOCHJYFZSA-N 435.569 0.208 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783349990 XTTZNGUQPOZSOZ-ZBEGNZNMSA-N 429.319 0.323 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783537088 KITJLVBZSRKZOX-IIDMSEBBSA-N 431.375 0.236 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1783934113 YRRYXAQQCIMNFP-NRFANRHFSA-N 432.525 0.105 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(C(F)F)no1 1787140063 HQYJLKLVQMRNCN-JDFRZJQESA-N 449.219 0.199 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1F 1789431961 CGHLQCSXWNUMEC-QSFXBCCZSA-N 426.253 0.413 50 20 ICGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925954 KQLXQJUGYJIXSS-HNEGAWSPSA-N 427.336 0.815 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1790963254 PPMLTICKALDGKH-DNVSUFBTSA-N 430.299 0.934 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n4ccnc4n3)C[C@@H]21 1791256891 KZZFAKVPKNLAPB-JKQORVJESA-N 435.912 0.885 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 1792660267 FVBUPKOQQLSORO-NTPMPSRCSA-N 428.493 0.285 50 20 ICGD CC1=NN(c2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2)C(=O)C1 1792979084 TVBBFDWLZCXRCI-LORHWOILSA-N 448.907 0.602 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cccnc13)C2)c1ccc(B(O)O)cc1 1795734560 STQPMRVQGRXYKZ-RMFSNUHRSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(-c2ccccn2)[nH]n1 1796188638 BEQZVXDNFGVXRI-BCDXTJNWSA-N 445.288 0.717 50 20 ICGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Cl)cc2N1 1796366835 HTIPXPLHLKPIHS-DJBIQUGXSA-N 428.873 0.863 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797540143 MJQYCTPGCDOYQF-JLUCKKNBSA-N 435.864 0.278 50 20 ICGD Cc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748392 UZPVKNJFGSHNDL-HBCWATKFSA-N 441.463 0.650 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCO3)C2 1798440626 UDRJMUUJFVEMTM-BTTYYORXSA-N 439.476 0.230 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)OC(=O)NC(C)C 1799130474 IKHDAEWHWDZFCE-LXTVHRRPSA-N 433.933 0.743 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)[C@@H](O)C1 1799199236 JMXOAILFTFYOSH-IWTMDLJTSA-N 449.907 0.338 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012226 OOJQAPQPSOMGMB-RAJOQWNJSA-N 429.521 0.448 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1804979009 LEMFKOYUACNLJZ-OAHLLOKOSA-N 442.520 0.056 50 20 ICGD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)nn1C 1808288676 JNIGYERWHYHDBP-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@H]1c1cccnc1 1808661547 MKLHKLRJUKFOAZ-OSRDXIQISA-N 444.305 0.371 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814873632 SQGZFJKGLYEXNP-GLQYFDAESA-N 449.899 0.610 50 20 ICGD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)n1 1816319048 SGFQAXPWCKCOKB-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819579831 QSTQKYYOZIKLDA-GUYCJALGSA-N 439.281 0.086 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780550 DBUPZGIJIGPLOL-CNRHGSOZSA-N 449.581 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCC1)CC2 1819790884 KWPPIIVZYGAUST-GFCCVEGCSA-N 443.533 0.463 50 20 ICGD C[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824677821 ZRKKLNUGERQJSJ-SFYZADRCSA-N 447.311 0.382 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825285954 NDLLKHPMKJYQEF-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825997969 BQTDPEQJYGHRGT-CHWSQXEVSA-N 437.714 0.303 50 20 ICGD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)nn1C 1827051386 WOVNJUSDPYEZDE-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827559252 HQJPTNUXDRUGFU-OALUTQOASA-N 444.341 0.047 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cnn1C 1830538250 ZHEIOFLRWVQCGB-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830774777 DLTBVRUWAXPEJX-MPGHIAIKSA-N 432.359 0.711 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313278 DFKAIJDZVIIJLL-KRWDZBQOSA-N 429.945 0.667 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797787 FWHJVGIEWGTDRE-UHFFFAOYSA-N 443.353 0.167 50 20 ICGD O=C(/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)NCc1ccco1 1837637318 HUWBILPRHATHDO-PABLAQFASA-N 443.859 0.443 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837649268 FFVNSMXYEYZSFK-KBXCAEBGSA-N 448.303 0.170 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837980483 CDIGUMVBYFYGLL-BEFAXECRSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838388908 BJJXFHPXONPSME-FXAWDEMLSA-N 427.929 0.966 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)CN1 1838648537 YIRIQLWVCPBRSK-NHYWBVRUSA-N 434.306 0.812 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839200200 HMYMXAJQEHWZEC-WMLDXEAASA-N 447.305 0.743 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)c2N1 1839572996 DPTVYBQMKXCTAM-VQIMIIECSA-N 425.844 0.786 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839962412 DCTRRRGJGQDFRY-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840153524 RHWJFDUEGOWLRD-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1840929679 IVJHHMRYVHXPCJ-DNVCBOLYSA-N 446.386 0.958 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(F)cc1 1845006959 WUHLIFLVVXRYAL-FQEVSTJZSA-N 447.511 0.579 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 10160090 XPDJJRBTOGDBHQ-UHFFFAOYSA-N 439.453 0.564 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 16148634 MHSYXGAQUPSLHD-UHFFFAOYSA-N 436.398 0.612 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(Cl)c1OCC(N)=O 22193012 OKBHTFXSMQGIFY-UHFFFAOYSA-N 445.823 0.263 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nc(-c4ccccc4)no3)c2)CCN1 728080665 MKNWQEUEZSMEHX-UHFFFAOYSA-N 442.457 0.614 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 744621410 WLHLIJTYDPZNRR-MRXNPFEDSA-N 436.534 0.799 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)NCCCN3CCC[C@H](C(N)=O)C3)n[nH]2)cc1 745831668 XEALIPSLILAUAU-INIZCTEOSA-N 427.509 0.917 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 746643406 FWKAHILRIOXVKJ-UHFFFAOYSA-N 426.472 0.925 50 20 ICGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749784668 BRPANCZFPFFFAC-GFCCVEGCSA-N 436.490 0.877 50 20 ICGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 750548357 WVTOECIYHGZCKW-UHFFFAOYSA-N 438.488 0.808 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)OCO2 753839681 CJFKDWODFTUTHR-JTQLQIEISA-N 447.375 0.894 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755846294 JTPWDKKBTOZFNE-JTQLQIEISA-N 430.396 0.392 50 20 ICGD CCCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 756156085 YGPGFYRYTHQWPT-UHFFFAOYSA-N 443.464 0.384 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sn1 756855971 IOILMLICYCSACB-UHFFFAOYSA-N 425.492 0.939 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)Cc2ccccn2)cc1 760198632 CTLCWSDNBVPWSF-UHFFFAOYSA-N 434.474 0.243 50 20 ICGD COc1cccc(NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 760497267 SSQABKOPTGHPJV-OAHLLOKOSA-N 435.506 0.763 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1OC 763550592 GPLOCIHTHWIIBO-UHFFFAOYSA-N 443.460 0.604 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 763624253 UVFYXRFXSUDCTO-UHFFFAOYSA-N 446.485 0.601 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 763683345 YTRHXDDAQHUVND-UHFFFAOYSA-N 426.433 0.840 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 764133002 SIOFHVQWNLRWTM-UHFFFAOYSA-N 433.428 0.535 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1NS(C)(=O)=O 764365834 DMGCJDGLRPSPQH-UHFFFAOYSA-N 434.474 0.669 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)Sc3nncn3C)CC2)cc1 765755428 QCXGLYRQXVGFPO-INIZCTEOSA-N 431.566 0.569 50 20 ICGD CNc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] 765851531 FAMVABLQKUGLDW-UHFFFAOYSA-N 449.493 0.725 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 766019612 UJQOUNOFILMHKT-NXEZZACHSA-N 442.498 0.797 50 20 ICGD CCOC(=O)c1nn(C)cc1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 769763650 QSZYEAZMRYFNMA-UHFFFAOYSA-N 449.489 0.382 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccccc2C#N)s1 772629669 DNLHYRKERMRKPB-UHFFFAOYSA-N 437.503 0.616 50 20 ICGD CC(C)[C@@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCS1(=O)=O 772694734 QOWWSDCGBSRDJY-INIZCTEOSA-N 430.552 0.631 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1 773887666 BRDWZIMMIGVIFC-UHFFFAOYSA-N 430.392 0.437 50 20 ICGD COc1ncc(/C=C\C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 775885253 VQHGZXPJMGRTPB-BAQGIRSFSA-N 432.506 0.578 50 20 ICGD Cc1csc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c(=O)n12 776338521 KYWGAIHFWGXSKM-UHFFFAOYSA-N 435.487 0.390 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 776622425 CIPHLMUIJJHODP-UHFFFAOYSA-N 440.494 0.981 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccnc2Cl)cc1 784843759 RQMDWHFHRVEIKP-UHFFFAOYSA-N 427.870 0.742 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC 785867074 OWXVPVHOVAZCAC-UHFFFAOYSA-N 432.437 0.907 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 786413683 GKXCLOAYVMGGPR-UHFFFAOYSA-N 428.449 0.136 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc2ccccc2n1 790070165 JGJMPKBRMURVPH-HXUWFJFHSA-N 425.445 0.611 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)c2ccccc2c1=O 792015765 FWZRIUOWVZUNQZ-OAQYLSRUSA-N 425.445 0.099 50 20 ICGD C[C@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 805191825 RNJICIURQVOAMK-CYBMUJFWSA-N 449.471 0.008 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)nn1-c1ccc(F)cc1F 808937819 DOGFYKNFRBJTAS-UHFFFAOYSA-N 446.370 0.568 50 20 ICGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)CN1CCN(Cc3ccccc3Cl)CC1)CC2 810593725 HBGXUISWJRZTRE-HNNXBMFYSA-N 445.955 0.539 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033499 WMLZKOBHDSVPPT-UHFFFAOYSA-N 433.490 0.768 50 20 ICGD CC(C)(O)CN1CCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 814212205 IRVIISODNQMQLY-UHFFFAOYSA-N 438.550 0.660 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)[C@@H]1C[C@@H]1C 815593093 BJRXFFLGXBCOPY-BLLLJJGKSA-N 441.444 0.557 50 20 ICGD CN(CC(=O)NNC(=O)c1ccncc1)S(=O)(=O)c1ccc(Br)cc1 915273657 KGKZHFWCZNJQDF-UHFFFAOYSA-N 427.280 0.926 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1I 915279584 OWJGUODLPDDMIU-SSDOTTSWSA-N 426.207 0.626 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCOCC2)c1 915880542 IOMFJAFYODXZKG-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc2c(c1)OCCO2 915906142 MCNGBJIFJASFLZ-UHFFFAOYSA-N 431.449 0.657 50 20 ICGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(F)cc2Br)cn1C 917753320 GPXPCFJBRKOGQQ-UHFFFAOYSA-N 433.259 0.910 50 20 ICGD O=C(/C=C\c1ccc(I)o1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885887 OWDVVDDJDPDSJU-LTMVXPGCSA-N 439.231 0.415 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Br 919961121 SLMXEIRIAJNKSA-SECBINFHSA-N 426.314 0.437 50 20 ICGD O=C(CNC(=O)c1cc(F)cc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1 919963967 YIUQZWOZPJNAQW-UHFFFAOYSA-N 425.417 0.449 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1cccnc1N1CCN(C)CC1 921248490 ZZZNVOWNFZOHNU-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1248617115 PWZKMAMZHKTMBM-UHFFFAOYSA-N 434.522 0.876 50 20 ICGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cn1 1321919467 CQSWLICPUHJBOH-OAHLLOKOSA-N 449.512 0.503 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778162364 UWFSSLIGAIORNB-DYVFJYSZSA-N 432.315 0.832 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1779036802 FFSMFZURBZKFGS-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779956167 UEFTYHSXUMJOFP-SGTLLEGYSA-N 440.909 0.453 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1)n1cnnn1 1780777663 XACDPHHXRCUBOD-OZTPJHRESA-N 433.282 0.439 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1781231720 QHMDQVUGDJVXJU-SJORKVTESA-N 430.292 0.255 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332827 FOVZHEQZTPBHND-BPLDGKMQSA-N 425.251 0.123 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nnc4cc(C)nn4c3C)CCO2)C1 1783876200 WOQKYDLLBFGVRA-IFXJQAMLSA-N 436.900 0.438 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783879393 ROTSFVSSCHGLBZ-VQIMIIECSA-N 436.933 0.140 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933581 RBZKENNAOPSYKH-OAQYLSRUSA-N 435.525 0.427 50 20 ICGD Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)c1=O 1784731570 UOECAWYJEHLRIL-QEJZJMRPSA-N 426.311 0.764 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)s1 1785829898 WWFMHBJHGNJQML-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3conc3C)[C@H]2C1 1786133999 FCEBYZYQYQFPML-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(F)CCCC=C3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981918 GRZRXOJAXQKXAX-ABXWHYIOSA-N 448.275 0.705 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789927016 NVKDIDFIHHCUTN-YTFOTSKYSA-N 436.322 0.961 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1790567744 NVJPROKNKBXGSV-RKOGSIPDSA-N 445.289 0.785 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)nn1C 1791059403 ZCQIFIKDTDOPPU-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]21 1791290806 NJNSEISPMHHURQ-IHPCNDPISA-N 445.564 0.719 50 20 ICGD Cc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1F 1794829409 CFWUPTGEQZYABI-CLLJXQQHSA-N 429.456 0.432 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)no1 1795115595 BKIWLWUNLAFPSO-DRXBFXEBSA-N 443.298 0.087 50 20 ICGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1796392550 ZBSJMIVFNLDBFV-XVIXHAIJSA-N 437.896 0.650 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 1796439547 KGQBTXVRMAJWRR-AAXRCIQFSA-N 427.505 0.756 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CCl)C3)CC1 1797303299 ZJLILYDCGLWCMK-ALXJQNPVSA-N 428.961 0.005 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1800756830 DQPJOPHPGHFCOS-OWSRUXPGSA-N 447.355 0.162 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1800759770 HFEKNWCXXCOVCS-MBMVNNNZSA-N 436.310 0.645 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802661544 ZBMNPCODHURMBC-OXQOHEQNSA-N 440.504 0.825 50 20 ICGD Cc1nocc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805822003 LUEBOZZSMSHCLV-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1nccs1 1805937559 VFSGNEJAHVCOLJ-FUHWJXTLSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806105717 BCVAFQFJNMRDQM-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806784132 ZPYWFOHCLPAIOA-BEFAXECRSA-N 440.504 0.561 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807370374 CBTKGTWLHYCJDX-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)COC1 1807374458 ZQHLNLMXTDEEQK-UYAOXDASSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1nc2ncccn2n1 1809226407 MBWGIOCWZSZQCE-KKUMJFAQSA-N 429.868 0.439 50 20 ICGD NC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)c1ccccc1 1809881556 YPLFWKZOUDPNEY-JOCHJYFZSA-N 449.360 0.954 50 20 ICGD N[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)c1ccccn1 1809966766 LWEAWTXPUPLNBL-HXUWFJFHSA-N 436.321 0.306 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810648135 SOWGWCPIDOJESR-RXVVDRJESA-N 447.304 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCN2CCCC2)[C@H]1c1cccnc1 1814268611 AMDXXJPBCVPVAF-WMZHIEFXSA-N 444.580 0.946 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1cccc(B(O)O)c1 1817475687 YKGDIIBMQTZQDQ-QGZVFWFLSA-N 439.281 0.018 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822188838 OSXOIBVQRWWJTM-GXSJLCMTSA-N 444.286 0.728 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1829808660 YEOBXZMMCPBLLW-ZSZQSSIHSA-N 428.892 0.982 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1830362190 NNPYUZBJMBELNF-PRPIBZDOSA-N 427.929 0.543 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830542794 DUPHSVMZMVGIDS-SJCJKPOMSA-N 443.298 0.283 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2cccnc21 1830730764 DLHISAPQRBWWJI-OXJNMPFZSA-N 436.896 0.243 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1833262206 JQYUBPHZFUFBAP-CJNGLKHVSA-N 443.386 0.868 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448853 KDHOBVYZPOSANU-GUYCJALGSA-N 429.315 0.664 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837808721 VKIBVEDFQIRAOL-GTNSWQLSSA-N 429.315 0.880 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920189 QUSULMRROHZQTQ-QGZVFWFLSA-N 445.369 0.319 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1838098241 OWEIUSUNKBVMMQ-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838675999 KVBQFGHJFBKGNG-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838808486 ABHXQAIRFFJEHH-PXNSSMCTSA-N 442.944 0.696 50 20 ICGD CN(C)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838922697 KJLIAOZJLGBBJR-XLIONFOSSA-N 425.913 0.422 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493480 MJBGEMUIHVSUFO-XOBRGWDASA-N 436.896 0.887 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839686516 SNSOBWHJYDWOLQ-QWQRMKEZSA-N 436.889 0.258 50 20 ICGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187827 ZLFDHKNNUXPZDG-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1840517941 WCXPKUQHWYXKTQ-YPXCQQABSA-N 429.926 0.521 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841387194 XXSANNFEVUZPOP-NHCUHLMSSA-N 434.301 0.479 50 20 ICGD O=C(c1ncn(-c2cccc(F)c2)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013629 RAESBGNZMJFRBP-UHFFFAOYSA-N 449.251 0.217 50 20 ICGD O=C(c1cccc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014251 PYWNAWKWQFKEBB-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2)NC(=O)NCc1ccccc1 1845038553 RMTRWASISPWEPE-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039186 VJWJTYIATGYOAC-WEVVVXLNSA-N 438.245 0.014 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 15639692 OORMEOJAGROFJV-OAHLLOKOSA-N 443.547 0.447 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 28029455 GNVUBSRSVDNDFN-ZDUSSCGKSA-N 438.531 0.400 50 20 ICGD O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1COc2ccccc2O1 104573311 CPYDMVKHNCTWMW-MRXNPFEDSA-N 431.357 0.504 50 20 ICGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 726163385 WNHSHLSXACSZMY-UHFFFAOYSA-N 434.400 0.470 50 20 ICGD CN(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 726547123 SOVXTEZIMZGSAN-KRWDZBQOSA-N 425.532 0.936 50 20 ICGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 727942889 GTRXFCRXSKSGMM-UHFFFAOYSA-N 443.489 0.377 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732264255 RRNBAFQHLOZMBN-KBPBESRZSA-N 427.509 0.797 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(-n3cncn3)c2)c1 735584224 GIBOUXNSHLYJPT-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ncccn1)N(S(C)(=O)=O)CC2 743296624 IOCBJJWBJQGJRE-AWEZNQCLSA-N 449.489 0.204 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H](C)CN2CCN(C)CC2)nc1 745860588 XQGBMKXJPUIKDU-INIZCTEOSA-N 441.602 0.622 50 20 ICGD C[C@H](C(=O)NNC(=O)N1CCOCC1)N1C(=O)c2ccc(Br)cc2C1=O 745988350 YPLKKLDHMVOPPW-SECBINFHSA-N 425.239 0.507 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 745996250 RJLQXMZQHMXYCA-ZDUSSCGKSA-N 446.913 0.484 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746326742 UJPIAMWCDUWGAT-GFCCVEGCSA-N 425.442 0.297 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 746759905 DMBVOZJIGBVHKG-UHFFFAOYSA-N 436.520 0.815 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 747324589 CXUJZEUOUNUIKT-UHFFFAOYSA-N 427.486 0.633 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 748465857 DBEPHYNLGLAWQN-UHFFFAOYSA-N 440.504 0.838 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 748603937 WALXQTYAFPIIDP-UHFFFAOYSA-N 449.445 0.002 50 20 ICGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)CCN1c1nccn2cnnc12 749450405 SCOIQFCQSALORH-ZDUSSCGKSA-N 428.884 0.749 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 750877941 WLRBCSHPRYCDEU-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1 752996839 HBWIIDSJRGPUSM-AWEZNQCLSA-N 431.522 0.906 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)c1ccc(-n2cnnn2)cc1 753802377 ONQUSDDPAMLGDM-UHFFFAOYSA-N 433.494 0.450 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)NNC(=O)[C@@H]1COc2ccccc2O1 753904509 XLWREJTWZCSQSB-KRWDZBQOSA-N 425.397 0.716 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)COc1ccccc1O 755292402 AVLUADDAUNDSGB-ZDUSSCGKSA-N 436.465 0.434 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c2ccccc2c1=O 760204764 SOPLMFBBWYTZEP-CJNGLKHVSA-N 444.492 0.564 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760438488 VNALOJHTXSTHSV-GFCCVEGCSA-N 439.494 0.287 50 20 ICGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 763573820 UPVSXPRUVBCWJE-MRXNPFEDSA-N 425.401 0.759 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c2ccccc2n1 763613631 BCVIVGWEBAOHNX-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2ccnn2CC)c2ccccc2c1=O 763801132 HORQLFDKKDQNJP-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 763864338 AXEVMKFJOGKEFG-ZDUSSCGKSA-N 446.435 0.846 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)n1 763892626 GBSNKIZTUINEPP-OAHLLOKOSA-N 433.440 0.983 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 764198434 GCHCEOCZMIQBDP-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764233454 WUHCEQZYTAAVBH-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764277285 AVNYJOYELZFHHQ-UHFFFAOYSA-N 446.485 0.651 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 764300305 XOJMVGTXJHMGOS-UHFFFAOYSA-N 434.474 0.240 50 20 ICGD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427820 BYCFUFNXFDOTBX-KRWDZBQOSA-N 426.429 0.749 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)n[nH]1 765602542 PCRUOFNBIIENSL-UHFFFAOYSA-N 439.494 0.191 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c3c(nn2C)CCCC3)CC1 768092978 FOSRCHIIGFISHR-UHFFFAOYSA-N 433.538 0.387 50 20 ICGD Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NNc1ccc(C(N)=O)nn1 768441823 KTMHFXUHICDTBY-UHFFFAOYSA-N 428.268 0.807 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ncn(-c3ccccc3)n2)cc1OC 768682915 CZMSEJWURWFNEA-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770644077 LWINRXMQEADUHA-LBPRGKRZSA-N 433.556 0.013 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)COc2ccc(OC)cc2)(N2CCOCC2)C1 775146191 MFVVRVYCPWCKAT-UHFFFAOYSA-N 436.509 0.674 50 20 ICGD NC(=O)c1coc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 779669793 HVQXPDYDSCCDCX-UHFFFAOYSA-N 435.462 0.307 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1[C@H](C)CC[C@H]1C 780155114 TVGQZFKFRGCZMH-OAGGEKHMSA-N 438.550 0.730 50 20 ICGD Cc1nscc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 781247511 DZDILHAHNIFKRC-UHFFFAOYSA-N 438.531 0.866 50 20 ICGD NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 786055018 HYVFBBXZHIVMKI-BBRMVZONSA-N 446.847 0.301 50 20 ICGD O=C(COC(=O)CC1(N2CCOCC2)CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 786096794 RMRBDRYCJRSIMO-GOSISDBHSA-N 447.488 0.552 50 20 ICGD O=C(COC(=O)CC1(N2CCOCC2)CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 786096796 RMRBDRYCJRSIMO-SFHVURJKSA-N 447.488 0.552 50 20 ICGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(CCCl)cc1)C2 786131497 HJFCDJYUUNHRQH-UHFFFAOYSA-N 427.914 0.119 50 20 ICGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)n1 793024136 AHCVOSANMGFCLQ-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD C[C@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OCc2ccccc2)C1 793178387 ZQHWEMXFYMRJEZ-BEFAXECRSA-N 438.506 0.553 50 20 ICGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 793672553 CMJVTZHMZNVNPT-APWZRJJASA-N 440.566 0.510 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c1 797427769 CVBVOPKVVJUJEP-UHFFFAOYSA-N 437.430 0.667 50 20 ICGD Cc1nc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cn2n1 810395824 OBDUPHHPCQSYTC-UHFFFAOYSA-N 429.462 0.560 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCc4nnn(C)c4C3)CC2)cc1 810593912 MUIPOOKDLOFUQP-SFHVURJKSA-N 425.537 0.194 50 20 ICGD CCc1nc(C)c(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)o1 813874489 CRSVDOKIGQHBOA-UHFFFAOYSA-N 437.526 0.703 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 815692315 OHMRPLYCZPKMHY-VIFPVBQESA-N 444.345 0.707 50 20 ICGD CC1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2)CC1 815692326 OJZZRNLZHPJDOV-OAHLLOKOSA-N 425.493 0.863 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 843476660 IZIGKNNUVWRLNM-CQSZACIVSA-N 449.485 0.675 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C 879702712 WFLZROUHCHAYIO-UHFFFAOYSA-N 443.489 0.361 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)n2)cc1 906486831 QDURYJZYEQHNKY-UHFFFAOYSA-N 442.505 0.711 50 20 ICGD O=C(COC(=O)c1ccc(=O)n(-c2ccccc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914667023 OYLGTCIICWNDOW-UHFFFAOYSA-N 437.368 0.759 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2cccnc2)CC1 914687863 FRTVLNMKIPLUIA-SFHVURJKSA-N 446.485 0.470 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCN(C)CC1 916258138 LDTWCVMEWIYVQZ-QGZVFWFLSA-N 429.525 0.150 50 20 ICGD O=C(COc1cccc(NC(=O)c2ccco2)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885682 MQICTLKZTZTRJC-CYBMUJFWSA-N 436.446 0.428 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c2ccccn12 921166775 PJIHQXGIAOZZPU-UHFFFAOYSA-N 426.414 0.461 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778029000 DTQJLYVJARUIHE-YKTARERQSA-N 443.907 0.505 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)c1c[nH]c(=O)cn1 1780124180 PRLFBRKDQLJJJM-AXAPSJFSSA-N 431.262 0.588 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781223735 CWVVRZBJPVTQOQ-QZTJIDSGSA-N 429.304 0.860 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)(C1)C2 1783445141 WASIILXUAZPPQB-DHMPVRBDSA-N 433.274 0.850 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(OC(F)F)cn1 1785743655 RSKVSIIWMUOECB-LVGORTOPSA-N 433.839 0.876 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980127 MGONEMOCDBABFK-DGOYWAMKSA-N 435.289 0.068 50 20 ICGD O=C1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)CN1 1788145393 OBCJSIDWZAEDLR-INIZCTEOSA-N 435.289 0.640 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1[nH]cnc1-c1cccnc1 1789193947 UEXPFUKOGQYVSV-JONQDZQNSA-N 433.896 0.665 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1791249314 IHAPVKZSNMSVCV-NAKRPEOUSA-N 448.797 0.575 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)OC(C)(C)C 1792762305 UAHQWBSRUNKCIR-AHDPXTMNSA-N 433.933 0.743 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CCl)no1 1792783324 SDICABWLJLMMDX-YWVIFJGQSA-N 426.901 0.567 50 20 ICGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CCl)c(=O)nc1O 1792785890 DKEJHOVCKDUXHW-AGGWBTHJSA-N 426.901 0.112 50 20 ICGD CCc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1794744122 ICSHVYLVHKICPV-MUJYYYPQSA-N 444.728 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794988694 QKCLMNPJGJUGKO-POKDIBPUSA-N 440.460 0.124 50 20 ICGD N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(C(F)(F)F)n1 1795993882 AHEXZCYKYCCKLE-DJBIQUGXSA-N 446.813 0.775 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cn2cccnc2n1 1797389819 KBWVSDHHSGWEIF-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628131 RVDWKKHENFPEJH-MIJXAVMKSA-N 429.319 0.083 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cc2NC1=O 1798580630 BKZVHJUCCYQXQX-PFFLZGHSSA-N 437.880 0.209 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 1800814580 PFACXCZSSIHOHS-GPVAFHQSSA-N 430.440 0.491 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1801264176 ZUTNJEAGYXJEJP-NXOAAHMSSA-N 444.536 0.211 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccc(F)c1F 1801751133 SNJLGRQTFHVJMT-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802557342 PAIHPBWJYVQZOG-KNQAVFIVSA-N 436.321 0.177 50 20 ICGD Cn1cccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805352367 UNFQELWLNOEDBR-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807107938 WEAPHNDXIDSHRV-QFBILLFUSA-N 449.276 0.273 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807192928 ZNRVKMQDLHFTIN-GPMSIDNRSA-N 435.601 0.532 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1 1813074464 SDWQPTZVCFZYKW-IQYLVTRLSA-N 429.521 0.353 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC=CO1)CC2)c1cccc(B(O)O)c1 1815356592 KCJVSKPRRVRNNM-GDBMZVCRSA-N 427.291 0.741 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nn2)[nH]n1)c1cccc(B(O)O)c1 1817473365 OQUVSGZPNIFELO-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1820723668 PXBWWYKKWKROCH-APWZRJJASA-N 439.325 0.737 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823794167 PDFAPORUDONUHB-OAQYLSRUSA-N 427.354 0.696 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053097 VRDKATFLQXIPKE-HRAATJIYSA-N 443.353 0.467 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c1F 1830535153 JYAPMWPUCBKBAJ-GTNSWQLSSA-N 447.305 0.958 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832244761 AXKAYMLMYFZXAP-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833922841 YVLUPELPYAQVER-CPOKCXMASA-N 443.460 0.484 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1nccs1 1834282475 NZOIMFBRCOHYJB-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD O=C(c1cnn2cccnc12)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717629 ZLJDFNHWNKZZNW-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838801597 GZLPZXVVDDHFGX-GOSISDBHSA-N 427.530 0.088 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084936 RKHVEQICIRNBJK-PJIJBLCYSA-N 448.347 0.648 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)CC)CCO3)cn1 1839143133 MDJRBVMYKLXDPP-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839145388 GGJPZXNVKYXFMB-KUHUBIRLSA-N 442.900 0.187 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839149442 GWPMULBRUDUHIN-DOPJRALCSA-N 436.336 0.205 50 20 ICGD O=C(c1cccc(O)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198020 QBZKZSUEZMQKHP-BBRMVZONSA-N 432.246 0.548 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1839202454 GEAYQZLRRCFXGH-AYMQEEERSA-N 437.306 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840149981 CWBNOWHUCCGDAZ-QFBILLFUSA-N 443.953 0.884 50 20 ICGD Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840183587 NJGUSEURZDTTBP-QHCPKHFHSA-N 446.548 0.367 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)c1ccccn1)CCO2 1840504659 OWMIAAXRKQUCNI-GQIGUUNPSA-N 425.913 0.895 50 20 ICGD Cc1cc(C)n2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2n1 1845731187 QPBZRSCJVKMSAP-UHFFFAOYSA-N 432.289 0.762 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1846002457 SKSACFONCKRWSK-OCCSQVGLSA-N 430.933 0.847 50 20 ICGD CCn1c(-n2nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)cc2C)cccc1=O 1847560711 ZHMOOGIGCBIJRG-YESZJQIVSA-N 447.923 0.777 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)=NN1c1ccccc1 110888339 PADCPLOCXFNLKG-SFHVURJKSA-N 442.501 0.691 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1=O 115078001 KPZONGIPSNQEOX-UHFFFAOYSA-N 442.476 0.849 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2cc(Br)c[nH]2)cc1 726448678 IRRLXVJDHDOZRD-UHFFFAOYSA-N 432.325 0.734 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 728179774 KEDDNFXKHJXYCE-JTQLQIEISA-N 444.362 0.764 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 729509584 VYUMYCUMKGGTSI-SJORKVTESA-N 443.456 0.993 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc2ncccc12 731343652 ZJGWSXMCJRGJPR-GFCCVEGCSA-N 429.462 0.255 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)NCC(N)=O 731473614 TUSBRPXMOBCJAH-WUXMJOGZSA-N 445.277 0.696 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1 732084134 NMSUNZRFTISTNN-UHFFFAOYSA-N 439.494 0.076 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN2C(=O)CN(C)C2=O)nc2ccccc2c1=O 733265720 IWMPOZSQJIWEBX-UHFFFAOYSA-N 430.465 0.549 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(S(C)(=O)=O)o3)cc2)CC1 733362176 GWKDHYGTRSRSKT-UHFFFAOYSA-N 442.519 0.376 50 20 ICGD CN1CC[C@@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1=O 739059620 QWIKHQPKYMQNMJ-QGZVFWFLSA-N 434.456 0.620 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1F 744914010 HFBRDFBFIABFKE-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756100892 WVYPHNXFLAOBPV-HVCLXXKLSA-N 430.436 0.731 50 20 ICGD O=C(COC(=O)c1ccc(C(=O)NC2CC2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 757845426 XPMHGGBUZWFWIO-GOSISDBHSA-N 439.424 0.723 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764159960 JWNOGWWOYNHZMQ-QGZVFWFLSA-N 426.429 0.847 50 20 ICGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)n1 764281121 ZARGCFUMLCPTPG-UHFFFAOYSA-N 438.375 0.754 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764397734 MHABUNKFNGQTKC-LBPRGKRZSA-N 428.873 0.314 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 764429557 TVALSTMGPMRYBV-UHFFFAOYSA-N 425.489 0.083 50 20 ICGD CC(C)(C)OC(=O)N1CC(=CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 766156808 XZIZSAIKYJTUNW-MRXNPFEDSA-N 447.444 0.694 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C4CC4)on3)CC2)cc1 766636367 NZYMFVIIBSVMGB-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD Cc1nn(C)c2ncc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc12 766644964 XUYOTCVNKIRXMR-UHFFFAOYSA-N 435.488 0.496 50 20 ICGD O=C1OCc2c1cccc2S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767850582 MMNSHWQBOXEZGP-UHFFFAOYSA-N 439.309 0.346 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cc2)CC1 773700281 HRTUQQISBLADQL-UHFFFAOYSA-N 449.515 0.850 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccnc(N(C)C)n2)c1 776071601 YLXARUPBLSXIBC-UHFFFAOYSA-N 449.537 0.717 50 20 ICGD COc1ccccc1[C@](N)(C(=O)NNC(=O)CNC(=O)c1cccnc1)C(F)(F)F 776176920 PFQZMKKWOQQOHT-KRWDZBQOSA-N 425.367 0.384 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 778706258 PFIVXLZRGHZKEN-UHFFFAOYSA-N 441.400 0.530 50 20 ICGD CN(C)CCOc1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccn1 781417051 YAURDPKHDZLABN-UHFFFAOYSA-N 440.548 0.995 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)on1 781431856 XKBSRYKXHQYKDD-UHFFFAOYSA-N 435.868 0.693 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781955270 MKCOONGHZFEIGN-WFASDCNBSA-N 442.881 0.588 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2I)CCS(=O)(=O)C1 783424826 FULXPXXPWSXCIL-ZDUSSCGKSA-N 437.259 0.428 50 20 ICGD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 785948501 IGBDDYKROWJGAL-MRVPVSSYSA-N 435.256 0.797 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 788274901 JNOUDXDPBDWNGU-UHFFFAOYSA-N 441.492 0.201 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cc2CC1 790067736 AZUKSAHCXRTKRA-UHFFFAOYSA-N 448.457 0.871 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cn(C)nc2-c2ccoc2)CC1 790728977 BWRRQXIQYKWTNL-UHFFFAOYSA-N 445.505 0.768 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NNC(=O)c2cccc(C)n2)c1 793232014 UKSBJSNJBRRPNG-UHFFFAOYSA-N 426.437 0.869 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1ccccc1 795160878 JFKSVVWUXQRRKP-UHFFFAOYSA-N 426.520 0.749 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc4c3nnn4C)cc2)CC1 801175553 AFEHDXQOXQFKHM-UHFFFAOYSA-N 430.494 0.056 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cncc(-n2ccnn2)c1 801914225 USGJGHIHWUFFEO-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 806543618 CVBIOLKUBXRQKU-UHFFFAOYSA-N 448.440 0.518 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810384674 IVNSPWSJFDZRAJ-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NNC(=O)COCc1ccccc1 814303809 JJDRWUSFXCLYBH-UHFFFAOYSA-N 436.490 0.602 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3sccc3C#N)cc2)CC1 815595321 ODHDRMUKNAJQQD-UHFFFAOYSA-N 448.530 0.638 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CSC(c3ccccc3O)=N2)c1 816810197 CRYZDNHJDTYBPA-OAHLLOKOSA-N 448.526 0.966 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 818750792 PVPPWNMRJDUGNX-UHFFFAOYSA-N 446.283 0.391 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885545 LLAAULNZNNUNOB-UONOGXRCSA-N 428.536 0.056 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)nc2ccccc21 921166485 LPTIKCITHDQFLL-UHFFFAOYSA-N 426.458 0.628 50 20 ICGD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095247 LQTFLCSDRKWHFH-FQEVSTJZSA-N 448.432 0.100 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1780895854 XDCWNXZLCFBHFZ-SCLBCKFNSA-N 430.910 0.507 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781233956 PCRQXAAXSTZRIN-KBPBESRZSA-N 434.242 0.731 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782345515 WMYOOYLJVGQMGM-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782358349 SVSMJNAQDUFBCF-NFBKMPQASA-N 426.322 0.688 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783341264 CIAISSOWCHEJPH-LPHOPBHVSA-N 445.402 0.627 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1783343288 SEVVNYWOOQGKOC-KBXCAEBGSA-N 426.311 0.852 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1783343290 SEVVNYWOOQGKOC-KDOFPFPSSA-N 426.311 0.852 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1783536981 MYWNKRCBABXZSB-SJKOYZFVSA-N 427.299 0.893 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783880491 CNVFLLXMECWTKX-AUUYWEPGSA-N 437.884 0.028 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1C 1783935972 ZAYUEOCNOBJQSL-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccsc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984353 AMQNDGOJEVJTIC-FPTSATQXSA-N 440.330 0.735 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21 1788611706 SQIQSTPTXFBZAP-XDTLVQLUSA-N 447.389 0.179 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1791567717 GKTAKPWCTKUPLS-CYBMUJFWSA-N 445.867 0.814 50 20 ICGD O=C(CCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791663036 FXGMMSONLSHSKB-JBACZVJFSA-N 439.321 0.242 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1Cl 1792658724 KSXZGHWWGOCIPN-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975929 DYIQEPXTGFZHCE-KPEUIFRASA-N 448.907 0.689 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793106325 FJGHTGPLDCIIFX-JKJDWNRSSA-N 445.944 0.860 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1793249611 MCVPKVYORNKXNQ-KUCCMMOJSA-N 443.928 0.803 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(C)n1 1794909625 OEVHCJVECGYMGS-QHWVMAKGSA-N 444.517 0.789 50 20 ICGD Cc1cc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1F 1795737045 XGEPKOGYTQOWNO-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD O=C(CCNC(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190650 UXBIXSUACHMMDY-WKCHPHFGSA-N 449.316 0.438 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnc2ccccc12)c1ccc(B(O)O)cc1 1797401694 HGFRCIMISAZXHW-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799121117 MMECVSCUXFHVMN-FEJSZKPUSA-N 447.300 0.294 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799367017 TUQGSJCDURNZGI-LBKYZSNHSA-N 447.960 0.869 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1C)C2 1800974171 NZPAIGPRCVDDOK-UJMXGEILSA-N 435.952 0.887 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801034196 GABDHMVLUXPROM-VKZHRDFRSA-N 434.242 0.491 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(F)(F)Cl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366744 GVLXXRSMYJCSOA-GDBMZVCRSA-N 437.639 0.913 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369340 HAROOYUXOYRRBV-XLIONFOSSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)[C@H](F)Cl 1808308604 MFPSGSVDLMIDNQ-UAGQMJEPSA-N 446.932 0.352 50 20 ICGD NC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)c1ccccc1 1809881571 YPLFWKZOUDPNEY-QFIPXVFZSA-N 449.360 0.954 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966579 GWNIRBDOUJQQIW-INIZCTEOSA-N 429.326 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccncc2O)[C@@H]1c1cccnc1 1810665928 FAQJELNSAVZTQB-KKSFZXQISA-N 440.504 0.875 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2 1814927324 BDOBDIPYSXDROI-CPCISQLKSA-N 433.307 0.586 50 20 ICGD CN(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795239 LALDWGYSEMJBKZ-LLVKDONJSA-N 431.522 0.319 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820697916 ZGBMPRJRXOZQBM-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1 1822414879 MPRCFHQVBNCWDU-CQSZACIVSA-N 430.469 0.172 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)N1CCN(C)CC1 1822697025 IPQQSSHVQJCIAQ-SCRDCRAPSA-N 429.974 0.291 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725022 CPDXKXXOWHYDIV-SIKLNZKXSA-N 436.936 0.774 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1830735239 DURULFLRXWREKQ-JQVVWYNYSA-N 436.936 0.848 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1830757107 NNCIYKOHYYFPHC-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831191417 MUSKTDNKIAFSLI-XNJGSVPQSA-N 434.331 0.141 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831205933 XWAJAFIKLWACOQ-BEFAXECRSA-N 433.933 0.003 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1832084424 RYFCDWLNOVFUSO-LAUBAEHRSA-N 440.924 0.602 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)on1 1832571123 CCRJTROGKQQZHD-ZBFHGGJFSA-N 434.262 0.672 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832656504 XQCRTZRHDGUSKN-ACJLOTCBSA-N 443.294 0.950 50 20 ICGD CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834715511 LYQGQPKOPIQQHC-KRWDZBQOSA-N 427.977 0.440 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801060 MIQQBMBSUVJSIC-UHFFFAOYSA-N 425.338 0.662 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1CC1(F)F 1835447704 UVBUZYWVFGDJBD-SFHVURJKSA-N 435.280 0.207 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933998 JVQKGSPTHMUVBE-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939788 HVHPWASHNMILCM-WZONZLPQSA-N 446.353 0.653 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1835984850 SDUDDVARRFLEIL-GOSISDBHSA-N 443.342 0.594 50 20 ICGD Cc1ccn(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1837192971 BUJDODAGTXJXHP-UHFFFAOYSA-N 448.568 0.563 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767349 CVGJQDIJPBIGJT-BMIGLBTASA-N 439.822 0.911 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1=O 1839198321 BZXZEUGORJHGFJ-GUYCJALGSA-N 446.273 0.146 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839962871 UESBXZMWQCSOOA-GUYCJALGSA-N 445.314 0.550 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036965 UPQRDMMBTIZCTM-DVOMOZLQSA-N 439.372 0.340 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1840156757 YZTRLOCDUNQECW-YJBOKZPZSA-N 431.942 0.704 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3)C2)C1 1840183765 YUCMBSOWUVXAKB-YIEPXFBBSA-N 444.532 0.529 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445600 BYMAGBNGCGDRPR-PBHICJAKSA-N 444.330 0.156 50 20 ICGD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012828 STTXPMGGARBJIP-DHZHZOJOSA-N 435.245 0.805 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)nn1 1843416499 RGOUABIODKBVKB-LPYMAVHISA-N 425.449 0.436 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cn1C 725881537 UNAJSHZRWILUMV-UHFFFAOYSA-N 448.530 0.520 50 20 ICGD COc1cc(C(=O)NNC(=O)CS(=O)(=O)NC2CCC(C)CC2)cc(OC)c1OC 726864536 DNDLCGXWUBAPQH-UHFFFAOYSA-N 443.522 0.972 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 729836105 MTXNFYUZHNMPRK-ZETCQYMHSA-N 432.307 0.682 50 20 ICGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 729965018 LMPYPYQWMYOFFO-UHFFFAOYSA-N 446.485 0.783 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 730899124 JEEAHJIVTUVIBH-UHFFFAOYSA-N 434.474 0.859 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 730998794 IDBYFGNFDGVLGE-UHFFFAOYSA-N 434.312 0.675 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)c1cnn(C)c1 735511091 CRCMETRLHVSLRR-VIFPVBQESA-N 425.243 0.625 50 20 ICGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1=O 746778651 BWNFABIUSUWMJW-MEDUHNTESA-N 430.508 0.021 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1OC 748546325 ICCXPWUYFMZLCE-UHFFFAOYSA-N 425.467 0.179 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C[C@H](C)OC)N(S(C)(=O)=O)CC2 749719901 GWSCNSZIFINMDL-SWLSCSKDSA-N 443.522 0.525 50 20 ICGD COc1ccc(C(=O)NNC(=S)N[C@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 751618032 OFYORILVSZTUGA-GFCCVEGCSA-N 442.563 0.624 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cc(Br)c[nH]1 755085017 QPFDUJHJNIAMHM-VDUILEQBSA-N 436.266 0.528 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 756253617 VHZFDRPRLUCTOK-HNNXBMFYSA-N 437.522 0.052 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cncc(N2CCOCC2)c1 756867589 PSLLEFNWGPYHLC-UHFFFAOYSA-N 432.506 0.595 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 760438471 UWXBNCJSNCHLLM-UHFFFAOYSA-N 430.483 0.740 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)c1 763410505 OGWDMGLJXVCQTO-UHFFFAOYSA-N 431.517 0.402 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1cnn(C2CCOCC2)c1 763439387 NUHHPCOZFRTEIV-UHFFFAOYSA-N 431.515 0.849 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763678001 BBGDIRHUZIJITJ-UHFFFAOYSA-N 445.457 0.485 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763863835 CYXIAZWQADUBKH-ZDUSSCGKSA-N 431.424 0.611 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 764109110 OZLGSZBMFHXHHA-UHFFFAOYSA-N 432.458 0.640 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc(Br)c1=O 764166260 AHPKOUGRZCABBJ-CYBMUJFWSA-N 435.234 0.237 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 764377330 NKLCLEWDFPHELV-UHFFFAOYSA-N 442.457 0.792 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764398626 IHFUCNKFIKOABB-SECBINFHSA-N 446.254 0.358 50 20 ICGD CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(=O)NNC(=O)CO 764420487 BZDIOWUZLKSDQW-UHFFFAOYSA-N 444.444 0.815 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)nc3)CC2)cc1 766635494 ACIACTRANGYAHH-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 770128121 JXTAWIWGJCNDOM-ZDUSSCGKSA-N 435.930 0.827 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 774010721 YVPYIIVLKNKYDW-NSHDSACASA-N 434.836 0.758 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 784000242 RVWVROAVCRLLAU-UHFFFAOYSA-N 437.456 0.325 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1F 784846096 KPAMAURQYCEULO-NSHDSACASA-N 447.423 0.993 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(C)n(C)c2=O)c1 787339009 NGWJLSYZEGXOPZ-UHFFFAOYSA-N 449.533 0.868 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)NCc1ccc(Cl)cc1 787436255 SVQFVTIMORZQLJ-QGZVFWFLSA-N 437.928 0.884 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)n[nH]1 790891615 PYHZVCBJFWZSKP-OAQYLSRUSA-N 425.445 0.768 50 20 ICGD Cn1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c(=O)c2cnn(C)c21 791196094 AOLVIGWXWLDJMU-UHFFFAOYSA-N 434.250 0.875 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 792352155 COMHKSRRSADSIO-QGZVFWFLSA-N 436.424 0.820 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(F)cccc2Br)c(=O)n(C)c1=O 794488994 VTVXJQJPDGVRQT-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 797012279 OOEFOWFXWTWQJQ-SNVBAGLBSA-N 427.282 0.808 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CC[C@H](S(N)(=O)=O)C1 799859479 HYVAYQANIZHAFI-SKDRFNHKSA-N 435.300 0.320 50 20 ICGD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)NC1CC1 801112750 ZJYHLPGAZYQIMF-UHFFFAOYSA-N 432.174 0.547 50 20 ICGD Cc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(-c2cnn(C)c2)c1 802707929 CKKMVZKETORGBT-UHFFFAOYSA-N 427.490 0.430 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)ccc1Cl 806341695 PUCXATODIJJRSG-VIFPVBQESA-N 442.803 0.302 50 20 ICGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)C2 809957676 UCLVWBQVPROZGI-INIZCTEOSA-N 431.518 1.000 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2cccc(NS(C)(=O)=O)c2)cc1 812731858 XSNCBBPBVCYCOY-UHFFFAOYSA-N 426.520 0.994 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c2ccccc21 812978977 HMEPKAWUZRMCSJ-UHFFFAOYSA-N 448.483 0.510 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl 815691212 IMCDQFVBVMZWCR-LBPRGKRZSA-N 449.899 0.220 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)c1C 815780036 GVMREMIUNVOBPS-MRXNPFEDSA-N 429.433 0.622 50 20 ICGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)c2C1 816877333 RHQWTZDPXBRLEM-NSHDSACASA-N 430.469 0.318 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 817055293 VPSUBFWXWUJGPD-UHFFFAOYSA-N 444.473 0.839 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)n(C)c2)c2ccccc2c1=O 912979306 DZHBRVGMXGBIQA-UHFFFAOYSA-N 433.446 0.467 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 912985330 GGQHPRKXCIRCRX-CQSZACIVSA-N 426.495 0.566 50 20 ICGD CCOc1ncccc1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 916400661 ROJUAXHLXYECFU-UHFFFAOYSA-N 435.506 0.940 50 20 ICGD C[C@@H](Cc1cccc(O)c1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 919783628 JEQVXHJEBYRGTD-HNNXBMFYSA-N 448.549 0.981 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920208302 JOXKFMVFUGVWSO-LBPRGKRZSA-N 427.508 0.677 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 920424823 JTTUUKFFLLKQOB-UHFFFAOYSA-N 443.482 0.565 50 20 ICGD COc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 1317858443 NDSCWUXBJZUUTG-UHFFFAOYSA-N 448.501 0.505 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cnc2n(c1=O)CCS2 1319215102 PRLBYJFBPPUWEL-UHFFFAOYSA-N 437.503 0.127 50 20 ICGD CO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098113 CFCJKPWXPWIMHS-RBZFPXEDSA-N 435.433 0.999 50 20 ICGD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1780725741 PAZZAKBNEKEXJQ-HSZRJFAPSA-N 437.305 0.190 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781102493 ONNJSFGAOWNDBU-FCEWJHQRSA-N 445.402 0.483 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1 1781685958 OLFWFVONSFLBJT-NRFANRHFSA-N 446.671 0.916 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782534819 JKLUNCJBEHWFGA-ZFCANOHDSA-N 425.913 0.963 50 20 ICGD Cc1nccn1[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782631376 MXCSCLFJCQBWMP-RADWXHQJSA-N 448.568 0.639 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C(=C/c3ccco3)NC(C)=O)CCO2)C1 1783879997 DAGFRWMLNRZRTM-YRAWTSPUSA-N 439.896 0.840 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629865 DCPXEUIZSLJVEO-CDXDBMBRSA-N 433.415 0.370 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOc3ccccc3)[C@H]2C1 1786412366 WBZYBAYDLOKHAQ-IHPCNDPISA-N 446.548 0.808 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4cnccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983920 GEGMJVIMKOLLGM-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ncccn3)[C@H]2C1 1787076895 CZPLDGUXPVZQGW-AJNGGQMLSA-N 428.942 0.802 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc(C(F)(F)F)cn1 1787244424 FZSUYQRGGSNLPL-UKJIMTQDSA-N 436.818 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787479200 CAGXAIIIXBDXJH-KBIXCLLPSA-N 434.222 0.602 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1788654650 QOKBWRGIJDXDRK-HNNXBMFYSA-N 437.305 0.981 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H](O)c1ccccc1Cl 1791470739 JOKFATSHBPFLKS-BAZWHKJHSA-N 431.316 0.953 50 20 ICGD O=C(O)CSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791609166 GTWVXVCJYQTJQO-UHFFFAOYSA-N 442.302 0.932 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)C1 1793117405 JRAWMKKBLAPPJX-XFIYOXNOSA-N 445.944 0.860 50 20 ICGD CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1793379051 SARWCYBMOZESAD-FCGDIQPGSA-N 429.326 0.169 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797432623 GMRMVTXNRYPLNY-NFFDBFGFSA-N 441.326 0.900 50 20 ICGD CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799869094 COGWVHCRHSQSIN-BCDXTJNWSA-N 429.521 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1802333421 WDZYPIHPUSHAFZ-ZAWLATJESA-N 447.580 0.789 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805910830 ACPUOOIAJMIUQI-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(F)cn1 1805980706 WNRHKYAIVUSLSA-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1806109017 WVPGGJXAQPVLJN-GCMSVZMUSA-N 444.492 0.460 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374644 ISWHFZRHOOLJAG-UWJYYQICSA-N 446.272 0.495 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2=COCC2)[C@@H]1c1cccnc1 1813589392 DECYJXGFNOVVKK-KXBFYZLASA-N 436.472 0.704 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)c1 1815755199 MBUSKVUDOROEHW-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817262947 AMPBMMPIWKTNOR-IXDGSTSKSA-N 427.314 0.769 50 20 ICGD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)COC1 1821827030 WNRQKRUXVOLPDO-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1 1827384106 UNROIPPCEQLOTP-WSNQVKOXSA-N 442.501 0.260 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827688251 WECJIESMZKYJSB-HRAATJIYSA-N 443.353 0.467 50 20 ICGD COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719940 PEQSQAWJBRWZTH-FOIQADDNSA-N 442.896 0.130 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310726 QKHAMZPYEYHVRK-IRXDYDNUSA-N 444.001 0.184 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cccc1=O 1833870226 STFFHONKDQFYOP-GOSISDBHSA-N 442.310 0.240 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)o1 1834819213 KLJHDGAJJLETPG-QGZVFWFLSA-N 445.314 0.596 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823316 NKRIKEXMCDBQCW-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200686 PJXOUGPWZUTDKS-FNGKQBHCSA-N 446.273 0.845 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c2c1 1839486320 UAECUSJNNROKSK-JXFKEZNVSA-N 447.879 0.104 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839961738 GSCIAJIOLQMSDO-SUMWQHHRSA-N 448.314 0.069 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840152205 AUVRDPJZGKPRPS-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840340952 NTZITXDNDYBLPS-HEFFKOALSA-N 441.326 0.910 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)[C@@H](O)C1 1841023908 GBOVCBQSKIYBIP-ZNMIVQPWSA-N 445.944 0.407 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841761638 DXHDJXKNFQNJRT-UHFFFAOYSA-N 445.325 0.487 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895051 SPQHQFNIZODFQP-CYBMUJFWSA-N 436.372 0.094 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cn(C)cn2)C1)NC(=O)NCc1ccccc1 1842527686 LDAYHJDMZXYOGF-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013914 CFDPZQPIILLTML-UHFFFAOYSA-N 430.273 0.749 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845218339 YRUDZXMZFCXQRH-CMPLNLGQSA-N 428.262 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCn1c(=O)oc2ccccc21 1848156106 NWXGTIOIDBEVKL-HOTGVXAUSA-N 443.504 0.559 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 18387667 ROAFZWXLLDYGFP-UHFFFAOYSA-N 447.878 0.676 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 21875170 YKMISFIPJVXZGW-GOSISDBHSA-N 447.469 0.545 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 725740420 DOZYGZASERGVSP-UHFFFAOYSA-N 428.430 0.085 50 20 ICGD COc1cc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(F)c1 726765021 SBOMHKKMFOVOPQ-UHFFFAOYSA-N 434.446 0.890 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 728513174 SYOVAIQLHZYBDF-BBRMVZONSA-N 438.912 0.999 50 20 ICGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 729340251 HGYIRQPEGGGJCQ-ZDUSSCGKSA-N 437.478 0.029 50 20 ICGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2)CC1 734281703 MNGDWMHUMDVQTD-KRWDZBQOSA-N 430.557 0.192 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(F)cc1Br 734418502 JMJGIIVHIDWATQ-UHFFFAOYSA-N 440.247 0.209 50 20 ICGD Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cn1 735472951 HQWCCBHSQIZKJA-UHFFFAOYSA-N 430.284 0.312 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 743853467 LCAQDWRUAAHLCL-UHFFFAOYSA-N 432.458 0.302 50 20 ICGD CCn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)ccc2c1=O 744813903 YZQAGDHCUNYBLE-UHFFFAOYSA-N 435.396 0.612 50 20 ICGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 746124002 XCIRLABNZXMTOZ-CYBMUJFWSA-N 438.466 0.692 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 747324649 GSGDETGLQPGEOW-UHFFFAOYSA-N 438.893 0.760 50 20 ICGD O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NNC(=O)C(=O)N1CCCC1 748460606 KVYWRMOYLFRHFT-UHFFFAOYSA-N 436.944 0.805 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)o1 751044338 VLMYRFMXHJXSCQ-UHFFFAOYSA-N 434.518 0.798 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(C)c(C)c1)OCO2 753842156 YVNUOISNCIZFCL-UHFFFAOYSA-N 443.412 0.984 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cccc(Br)c1 755414037 SAAMXTUHRZCVGH-SECBINFHSA-N 430.284 0.311 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 758037080 XURZQRLGNVRDHX-QEVYDEPDSA-N 434.877 0.084 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1C 763011482 GDRMTUHVMHHVDU-AWEZNQCLSA-N 448.501 0.296 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763529957 DRKGVHPKFSVSBP-GFCCVEGCSA-N 442.428 0.473 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763682575 WRDGSZGAOBPYPT-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnc(C3CC3)nc2)cc1 763738049 SJWKLLJKAHLMCM-UHFFFAOYSA-N 446.489 0.069 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763804943 YJNSRSNOOFTQRX-UHFFFAOYSA-N 445.388 0.393 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1-n1cnnn1 763873875 XQBUTMLXNHSZQB-LLVKDONJSA-N 443.395 0.363 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2)c1=O 763996697 ZLISJGWRQBCBPL-UHFFFAOYSA-N 448.237 0.061 50 20 ICGD O=C(COC(=O)c1ccncc1Br)NNC(=O)[C@@H]1COc2ccccc2O1 764140010 GRPZDTAFWXVQQE-AWEZNQCLSA-N 436.218 0.988 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 764358943 JGYUKCBOAYYREV-UHFFFAOYSA-N 435.462 0.755 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764405636 VBOOHXAAIPVWKL-UHFFFAOYSA-N 446.485 0.981 50 20 ICGD Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764425701 QYDAXXQVOJGMPQ-KRWDZBQOSA-N 426.429 0.749 50 20 ICGD COc1nccnc1NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 764469367 JEZFNYONSYWKDE-LBPRGKRZSA-N 436.450 0.937 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)n[nH]1 768282106 XKGDOJSMACRLLX-UHFFFAOYSA-N 444.473 0.562 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCNS(=O)(=O)c1cccs1 768634602 MRQPFICUWHIVJJ-UHFFFAOYSA-N 433.533 0.972 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NNC(=O)C(=O)NC(C)C)c2)c1 769622403 ZCXKXBOMDGJRDR-UHFFFAOYSA-N 444.444 0.947 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 770428588 XLBFJEUWCHNWKX-UHFFFAOYSA-N 449.485 0.766 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 771968289 LUPJHVCPJXYNDJ-GFCCVEGCSA-N 447.535 0.508 50 20 ICGD CN(CCNC(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)c1cccs1 771974087 DKWYWHLOTPJTFD-UHFFFAOYSA-N 445.548 0.191 50 20 ICGD CC(=O)Nc1cncc(C(=O)NN=C(C)c2ccc(S(=O)(=O)NCC(=O)O)cc2)c1 772856629 LODMNWACYDOQPN-UHFFFAOYSA-N 433.446 0.557 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 775192854 RGQAHMWZZBVXNP-AWEZNQCLSA-N 429.502 0.920 50 20 ICGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775457520 IWKDELKWPNHUTA-DOTOQJQBSA-N 440.522 0.467 50 20 ICGD CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775457523 IWKDELKWPNHUTA-RDJZCZTQSA-N 440.522 0.467 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)[C@@H](C)O)cc1 779544220 IYRCPUZZYKVJDU-CXAGYDPISA-N 441.531 0.570 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)nc2ccccc21 782886511 OIVXFZNHYJCQCM-UHFFFAOYSA-N 435.444 0.645 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 784002245 MQPRCMFUHVFFSD-AWEZNQCLSA-N 444.444 0.743 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C[C@@H](C)O1 784003387 VVTUPLRTEMCYIM-OKILXGFUSA-N 443.460 0.409 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 789334781 NMLUDYKMDXORJD-IAGOWNOFSA-N 440.522 0.609 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCOCC1 790390073 AKXYQIFBDMMMRK-UHFFFAOYSA-N 446.551 0.486 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 799860177 XOZXLUDWLYEAKY-ZWNOBZJWSA-N 449.327 0.710 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cnc1Cl)[C@@H]1CCS(=O)(=O)C1 800832412 QXUIOTIJTMNVDH-ZCFIWIBFSA-N 432.705 0.242 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 801107029 KXOZVNNIWYAXJJ-HNNXBMFYSA-N 447.492 0.597 50 20 ICGD CCOC(=O)[C@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 802709288 LMWOYAGBRWPENP-AWEZNQCLSA-N 445.501 0.532 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccn2)c(Br)c1 802721177 SZAHBXQJJZIVIE-UHFFFAOYSA-N 434.293 0.871 50 20 ICGD O=C(NC[C@@H](c1cccs1)N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 806994427 VWRYSWDFXKYEOG-INIZCTEOSA-N 442.505 0.741 50 20 ICGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 808068381 WELOPANLSXEFHV-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812731220 DANNMFRXLXGOSA-UHFFFAOYSA-N 426.520 0.992 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815752290 METYSHVYQIHZAA-UHFFFAOYSA-N 445.501 0.935 50 20 ICGD COc1cccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 913263486 CZCVVLJUVAWFPC-ZKTNYTPDSA-N 447.513 0.477 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 916249655 DFCNHAPOXAZBPJ-HUUCEWRRSA-N 441.554 0.380 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 916391610 HNKKBYFYNZDWNW-UHFFFAOYSA-N 439.472 0.476 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCNc3ccccn3)nc2)CC1 916576535 LHWYGYNTQGKSNN-UHFFFAOYSA-N 448.553 0.541 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1O 919755580 FEQBPDJRIAENGN-CQSZACIVSA-N 449.485 0.933 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC(=O)NC(C)C)cc1 920849479 QRIPCGBWWJZAID-MHWRWJLKSA-N 438.488 0.982 50 20 ICGD O=C(c1cc2ncccn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778465389 LAGNKLVHUMPIHP-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CC(C)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779031816 YNOSHKVYXPVUNC-AVRDEDQJSA-N 446.552 0.151 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)[nH]1 1779371129 GTCCIPFILWQTCQ-DYESRHJHSA-N 441.492 0.158 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371135 HATOHAFJGFEEPR-VGOFRKELSA-N 445.520 0.428 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389198 NPWVGDLUGZGQNT-BONVTDFDSA-N 430.259 0.935 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)C1(O)CCC1 1782210106 FKQJFBJPNSOLPK-CSODHUTKSA-N 438.569 0.424 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629695 QPHIHGKLFQBUGT-AFEQLLIESA-N 430.440 0.731 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)c2c1 1784092648 SCEFZGCKQZDMLU-CSFVBSKPSA-N 431.880 0.628 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3C3CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984359 ASKADIHBGUYETJ-SNRMKQJTSA-N 439.277 0.139 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984753 FTHUZUQSHIGBIR-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNC(=O)O3)CCC2)cc1 1789519718 HAGQXPPSHVESSG-INIZCTEOSA-N 438.444 0.541 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(O)ccc1F 1790053649 VEIVUCXVRIVKTR-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056925 IDHOHIHQTWLVKJ-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293311 UHEIIQYJMGMEQE-BJLQDIEVSA-N 446.548 0.590 50 20 ICGD Cc1nccn1[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791708007 WQVCGKGKRRIBOL-UBDQQSCGSA-N 434.541 0.105 50 20 ICGD N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1792832526 XYOOUVWFXYXLTJ-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)cn1 1796563668 ALYYUHBSMPYUBX-ZMJPVWNMSA-N 444.257 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2[nH]ccc2s1 1797109792 DCKZVXPTVURUMF-DBWKPXFBSA-N 433.534 0.806 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1798316577 DWNNLUNFIWRYPD-RGGMIXCSSA-N 426.521 0.277 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccn3cn1)C2 1798440352 JENTWDBVCNKSCK-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805528958 BYXXHJRHYLZTOH-LBPRGKRZSA-N 433.983 0.678 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805554478 UKGZPQXGTUOYOM-FQEVSTJZSA-N 427.354 0.696 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805719367 ZZYGQYQQJDELIN-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366376 SYUROIRSIUKLIO-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD O=C(Cc1ccncc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807496006 XSHCMGVWIBQZSC-OFNKIYASSA-N 444.300 0.719 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@H]2c2cccnc2)=NN1 1810223429 NSMZXKUDYOUZHK-LEWSCRJBSA-N 426.246 0.654 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)no2)[C@H]1c1cccnc1 1810982600 HGCSSPGNGHGSEP-IFXJQAMLSA-N 430.465 0.468 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnnc2O)n[nH]1 1820057410 ZCVIHJNPXDHHHL-CQSZACIVSA-N 430.469 0.584 50 20 ICGD C[C@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820079046 XNCPAFNAHACGFC-OLZOCXBDSA-N 448.553 0.356 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415183 VZIIOFFUXPTBGU-GDBMZVCRSA-N 445.528 0.703 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](O)CC2)n[nH]1 1822540312 ADVDMPOQVQCQIZ-LSBZLQRGSA-N 440.309 0.947 50 20 ICGD O=C(CCc1ccc(O)nn1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1824480106 IZTDCXORYBDJRG-JQWIXIFHSA-N 425.898 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)c1ccccn1)CC2 1826085431 TVQANWNDCHGADT-SGTLLEGYSA-N 445.549 0.523 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053391 MGLJHIOMZCPRLZ-MGPUTAFESA-N 429.326 0.124 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830542796 DUPHSVMZMVGIDS-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=O)N(C)C)CC1 1831869184 BJFZLPIQAJSGLL-QGZVFWFLSA-N 438.573 0.250 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832027134 PKXHAKONQDPCNY-UGKGYDQZSA-N 447.919 0.833 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832207848 AEJZPQHXJHLATQ-MGPUTAFESA-N 435.912 0.905 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1832294176 VQAIYYGOXFRTKN-MSOLQXFVSA-N 438.352 0.548 50 20 ICGD COCC1(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)CC1 1833463228 OVEGPRKVHQGAFT-UHFFFAOYSA-N 437.585 0.358 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1834127784 XXONHCLYOGTIOD-SFHVURJKSA-N 442.310 0.945 50 20 ICGD Cc1nc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835193154 DFOWNZBJVAECHZ-UHFFFAOYSA-N 433.557 0.276 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835978225 ZLRJFOCTXHRBKC-UZLBHIALSA-N 437.880 0.426 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920342 ZXRMHALPMRHNDF-IBGZPJMESA-N 436.745 0.996 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838428228 MVMZRGXLAOPRSV-RHSMWYFYSA-N 429.945 0.930 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nn1 1838760237 LUHNLYSCQSVAKY-QGZVFWFLSA-N 434.324 0.907 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839226673 UKOJTPDWUHLNND-IOASZLSFSA-N 438.294 0.934 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722610 BXIIPEVPHVIQOA-YOEHRIQHSA-N 429.315 0.582 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840032565 CHQODYNAQZLYAO-PBFPGSCMSA-N 434.331 0.093 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841113432 IEUVCYOYCOAUIT-CQSZACIVSA-N 444.444 0.863 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CS(C)(=O)=O)C1 1841617035 WATPCVPMYWZWKI-SBGWBMIRSA-N 437.522 0.005 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010297 AHSYXCYKPFAZMN-SOFGYWHQSA-N 425.206 0.398 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 10401365 IDCMWMJYOCAPSW-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)c1 14841552 AGNIFAVMIYYLAA-UHFFFAOYSA-N 439.515 0.556 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccn2)s1 729535428 DGVFYKHEXHWCGD-UHFFFAOYSA-N 438.469 0.546 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)n1 730323188 FPZQFAGSKMKCBO-LLVKDONJSA-N 428.536 0.632 50 20 ICGD C#CCOc1ccc2ccccc2c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730571915 YJBFXJDKKRZXPA-UHFFFAOYSA-N 437.481 0.887 50 20 ICGD CCCCCCN(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 732258013 DWBWFFUZECVKCH-UHFFFAOYSA-N 440.566 0.981 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1 732260359 DAEGZNIHWSZWKB-ROUUACIJSA-N 446.548 0.951 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735101356 ZMZVWVMBNKYLCV-UHFFFAOYSA-N 437.434 0.526 50 20 ICGD O=C(NCc1nc(-c2ccccc2)n[nH]1)NNC(=O)c1csc(N2CCOCC2)n1 741419271 UKZLTOCGUIUKQF-UHFFFAOYSA-N 428.478 0.909 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12 742037199 VORDBKWDWSZFHT-LBPRGKRZSA-N 433.494 0.121 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(N3CCOCC3)ccn2)c1 743837692 LAQLMGDFYSYWRX-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD CC(C)CN1CCO[C@H](CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 745317774 WSDNLAYVFVQJJQ-OAHLLOKOSA-N 427.527 0.783 50 20 ICGD CCc1nncn1CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745911441 ITOBCXWHQMMPJV-UHFFFAOYSA-N 435.510 0.269 50 20 ICGD CN(C)C(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 746004084 ZUABJZICCSOIEV-UHFFFAOYSA-N 425.467 0.072 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 748639235 DZRYXUYDZGWROH-UHFFFAOYSA-N 445.475 0.330 50 20 ICGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 749446800 BPPUZRAJPQVPEQ-ZDUSSCGKSA-N 439.436 0.004 50 20 ICGD O=C(CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)NNC(=O)c1cccs1 749451157 UNLDJWKPSZMNGA-CYBMUJFWSA-N 428.470 0.506 50 20 ICGD CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)n1 750059309 FEZKGRVLLOGVIZ-AWEZNQCLSA-N 434.472 0.885 50 20 ICGD O=C(NNS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 751263274 WWRLGOQRQUQNDY-UHFFFAOYSA-N 442.475 0.121 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc(C(=O)O)c1OC 751281758 GSRUZBWATNOZJF-UHFFFAOYSA-N 443.459 0.203 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755050098 VRRJHYXXFKEHDA-GFCCVEGCSA-N 448.530 0.980 50 20 ICGD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 755654879 GLICRUKVFCTDHS-MRXNPFEDSA-N 431.357 0.748 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc2c1=O 756705562 KRNTZLCBXONDPA-UHFFFAOYSA-N 430.446 0.772 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 756784599 OXAXVYQZZQHTCA-UHFFFAOYSA-N 437.434 0.986 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762936157 DTPRUBYGGKEXML-IBGZPJMESA-N 440.504 0.551 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 763536527 UCRVOIPBDWTCAP-UHFFFAOYSA-N 437.412 0.470 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 763551828 SLNPYPQSNUNOHT-CHWSQXEVSA-N 441.444 0.824 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cn1 763556555 PQNTUKFWRGADED-UHFFFAOYSA-N 445.432 0.815 50 20 ICGD O=C(NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C(=O)Nc1ccon1 763611532 AHCIMNGRYXKKRS-UHFFFAOYSA-N 432.400 0.776 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)cc1C 763679880 MFKQQFJBYROMCX-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)nc2)cc1 763731365 AEDDGKNPANTKNM-UHFFFAOYSA-N 439.881 0.450 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(F)c2C)cc1 763732618 GCMDSHVPMMLENO-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD CCc1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763734225 IEYWDVDRHCRNEM-UHFFFAOYSA-N 432.502 0.964 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CCN1 763735222 NRUWNFALLHRLLU-UHFFFAOYSA-N 439.516 0.925 50 20 ICGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763879957 AGROENZORNWAER-UHFFFAOYSA-N 430.465 0.387 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1c(F)cccc1-n1cccn1 763920805 DMRPIGKIJQWWKD-UHFFFAOYSA-N 435.379 0.387 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)C(=O)Nc1cccc(-n2cnnn2)c1 763940572 JQFBDAXVDNCTPZ-UHFFFAOYSA-N 436.251 0.886 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 764086703 VJSUDRPSEIJPBS-LBPRGKRZSA-N 426.495 0.148 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764167488 GQDFPJJYSWEBOV-UHFFFAOYSA-N 439.428 0.293 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)ccc1S(=O)(=O)N(C)C 764188114 MFUXGYBSTSYCEV-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764354998 XORACUVKQAIJRV-UHFFFAOYSA-N 447.517 0.748 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764368494 XFEQMNOZCAHOSW-UHFFFAOYSA-N 426.429 0.942 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2CCCO[C@H](C)C2)nc1 764581719 GAUSLBOMFCCNHM-OAHLLOKOSA-N 428.559 0.895 50 20 ICGD O=C(CSc1nc2ccccc2nc1N1CCCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 764616717 QVIPOXSTJGSGID-ZDUSSCGKSA-N 449.558 0.904 50 20 ICGD Cc1ccc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2ccc(C)nc2)N2CCOCC2)cn1 764910066 NMCKQHUVYOYISI-FQEVSTJZSA-N 437.504 0.785 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 765665605 KPVQDXYVBKNKPD-FHSNZYRGSA-N 432.543 0.978 50 20 ICGD CCc1ccc(C(C)(C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766643856 LFKIOZYWDNCWHE-UHFFFAOYSA-N 426.477 0.121 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] 767414035 CFUBXFBOIMBSPV-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)c(C)o3)CC2)cc1 768289949 AIUKNLSVSBPVHR-UHFFFAOYSA-N 434.518 0.972 50 20 ICGD COCCN1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)CC1=O 768724810 SNQJXMUCINWGHW-UHFFFAOYSA-N 429.271 0.603 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2)NC(=O)NC1=O 768953467 SRNWJIDGXHGTFZ-LJQANCHMSA-N 430.442 0.220 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)cc1 787541093 MBAWBHIMFLJTFC-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 788744444 QXYBIMUTGVBKOZ-UHFFFAOYSA-N 430.446 0.771 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 793423209 MQWYMCNAQZWTDF-UHFFFAOYSA-N 446.533 0.333 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794064389 CSKHRWBLTGWCNK-UHFFFAOYSA-N 430.417 0.716 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 800596099 JFTPNEDUONOEEW-MRXNPFEDSA-N 427.417 0.155 50 20 ICGD C[C@@](O)(CO)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 801976294 UIKGTZCJEFLHQB-MXECYCPESA-N 431.880 0.845 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC 807014706 JHDAQRUHEQSHFS-UHFFFAOYSA-N 431.243 0.875 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CCC(=O)NCCNC(C)=O)c1 818756963 NBKSMLWECCGAJN-UHFFFAOYSA-N 429.271 0.711 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 897761113 FSSWULGERQPFPJ-GOSISDBHSA-N 436.476 0.947 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCc2nnc3n2CCCCC3)c2ccccc2c1=O 916235422 SMDVRQJRXIHXHM-UHFFFAOYSA-N 438.492 0.921 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 933892479 OIEDCZHQTCHVNV-INIZCTEOSA-N 425.445 0.732 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 1116618979 NRIKDVVOTIPTHQ-UHFFFAOYSA-N 448.476 0.940 50 20 ICGD NC(=O)c1cnc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(Cl)c1 1253470884 KPVSPTPFYZZKJH-UHFFFAOYSA-N 430.896 0.807 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)c1cc(O)nc(O)n1 1778018640 XLRZNFSGBYCRMA-NSODJVPESA-N 447.261 0.706 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778162361 UWFSSLIGAIORNB-CXAGYDPISA-N 432.315 0.832 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)cc3)CCO2)C1 1779032437 JVJTWHWTKPQSHR-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779439471 UKTRFMLQXVNCHT-NFCNUSAFSA-N 442.451 0.798 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325954 TVLGWWJREXVAFI-JSGCOSHPSA-N 427.292 0.413 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1OC 1781816409 MPUMLPZALJBSAQ-BFUOFWGJSA-N 430.860 0.886 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1782173087 WMYWKUTUWOUEQT-PSTGCABASA-N 429.861 0.699 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604868 GPEFPUCXINZUCR-YRISNDGFSA-N 434.924 0.836 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1783312900 YJIJZKDTQCEVAB-HOYKHHGWSA-N 436.317 0.922 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1783872760 HABGWSXBWJCKHH-FZKQIMNGSA-N 429.926 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1783873800 UROGOKVQLUBJIB-KDOFPFPSSA-N 445.925 0.182 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1 1783938175 WIDVQOHQMRZJSW-JOCHJYFZSA-N 434.512 0.961 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784454851 MBHDYMUEVPWCSE-SUMWQHHRSA-N 427.299 0.716 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784703017 CHZUFVZFHIQDNO-ULQDDVLXSA-N 434.541 0.003 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccc1F 1785624915 HCGRJPAKYLYOIO-KNBMTAEXSA-N 441.268 0.116 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1786401083 NNXDAFVMIDVREI-OBJOEFQTSA-N 428.283 0.464 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccn1 1786981857 CJGNJFNYAFWGOF-HRDWYUFVSA-N 437.305 0.158 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)[C@@H](F)Br 1789925501 FTHLAIBTTBINKH-ZJQBRPOHSA-N 436.278 0.499 50 20 ICGD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791289383 WQSUMYROQBGCFZ-IHPCNDPISA-N 446.548 0.590 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1792868864 TVIKJYBMVCEMPF-GRZGAGJTSA-N 431.249 0.920 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(C(F)(F)F)o1 1792978514 YFIWSYTVUNRMGI-LMLFDSFASA-N 425.791 0.805 50 20 ICGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793106380 FYMVTYOABCIFOQ-KYHPRHEASA-N 447.919 0.840 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(Cl)cn1 1794878958 JUINSYJUDSKSBS-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795966744 UBWITGQKLAXKBM-WRWGMCAJSA-N 426.248 0.523 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nccc2nc[nH]c12 1796239009 FBNNOFCZSNFXKO-SZRLZVLASA-N 426.246 0.852 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798440305 KXCVYQIOMCIUMZ-QDMKHBRRSA-N 441.492 0.094 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(Br)c(O)c1 1799583563 IVTZBCAZKPNMOX-BAESOJJISA-N 447.713 0.958 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799932934 IVSJLVWWAXYUQC-XPCVCDNBSA-N 441.326 0.900 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)C1 1799980138 SGWLZPUBHHRWSM-UKRFAEJPSA-N 445.944 0.452 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800636935 DYFGIJNIDUEYDX-USACIQFYSA-N 425.323 0.963 50 20 ICGD CN(CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(=O)OC(C)(C)C 1802130986 DFGUYWXKYOKNLK-JYYAWHABSA-N 447.960 0.823 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1804908234 FVZLUYKWLSWVOL-LJQANCHMSA-N 429.326 0.126 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)COC1 1807374453 ZQHLNLMXTDEEQK-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD COc1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1808292463 IXWXFHAPUTZKHR-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD C[C@](O)(C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(F)(F)F 1809969364 SFSRYFCRWPKLJS-SFHVURJKSA-N 442.243 0.525 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CC(O)C2)n[nH]1 1814802341 OZPYEAHCLUTIQZ-PPUFBPAQSA-N 427.465 0.485 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccncc3F)sc2C1)c1ccc(B(O)O)cc1 1817864224 PLZHUDJXOQIULT-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CCc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)co1 1820751042 KBRXHPFJIOLAED-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD COc1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410918 SFDQFQXJSTULPN-CQSZACIVSA-N 444.496 0.887 50 20 ICGD CNCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926427 HEZGGXPRFSRXDR-LJQANCHMSA-N 430.553 0.918 50 20 ICGD Cc1ccncc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725585 KFNLRSWLUSDBQS-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1830757106 NNCIYKOHYYFPHC-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831658291 SZAOUBAOOKLTAL-UZLBHIALSA-N 429.945 0.863 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1831938585 VRODEJFPVZLXDR-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1832206430 PQIDCMYGCXUNNM-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1833335393 OOYJKXDVPJSIQT-YJBOKZPZSA-N 428.848 0.644 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875750 DGJWMANTYHCBRN-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n(C)n1 1833955473 GITYZYZDWVOHHQ-INIZCTEOSA-N 427.933 0.214 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672591 RHOVDKGKZYUTDJ-INIZCTEOSA-N 429.993 0.416 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798640 SXECACOHFBIUSN-VGSWGCGISA-N 441.381 0.988 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835079266 RCOWNVGKVNZSML-DOMZBBRYSA-N 440.969 0.420 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1836397383 YUWNYPAUZMTIMT-ROUUACIJSA-N 430.977 0.727 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837023015 ZFKBUOUEDWUWKR-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837713008 CMLZSMQXCZAENB-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD O=C(C1=COCCC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920970 NJXVGUOQGUZUCY-UHFFFAOYSA-N 442.321 0.673 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)ccn1 1837979979 XEYWZPJRZIAYAD-WMLDXEAASA-N 446.273 0.851 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839200408 HJGDXHDAKOMDQW-MLGOLLRUSA-N 448.293 0.620 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840153492 PTXDXRFJEDLWTL-UWJYYQICSA-N 442.940 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840154924 KNTKJFBACLZYOZ-MGPUTAFESA-N 440.928 0.233 50 20 ICGD Cn1c(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc2ccccc21 1841250100 XHNTVXOMVWRTGH-UHFFFAOYSA-N 431.301 0.918 50 20 ICGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843363533 KRPKQVYIKAJYCX-MRXNPFEDSA-N 436.875 0.917 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846592782 MBYCFQNKPPRMJH-OEAKJJBVSA-N 425.449 0.193 50 20 ICGD COc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1OCC(N)=O 24155199 ZIXZTMWSIIFXGH-UHFFFAOYSA-N 449.489 0.236 50 20 ICGD Cn1cccc1C(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 726541070 RHMIQDXXBRNFFZ-UHFFFAOYSA-N 429.296 0.917 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 727954119 WLWUKOFLLMZMBE-UHFFFAOYSA-N 430.373 0.555 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 728435492 CJURKMIGBBZSGB-ZDUSSCGKSA-N 442.519 0.536 50 20 ICGD Cn1cccc1C(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728959322 LDYUDDPYVVQKIO-UHFFFAOYSA-N 440.508 0.230 50 20 ICGD C[C@@H]1CN(C(C)(C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@@H](C)O1 728960238 XJENJRWJHMFVLM-HZPDHXFCSA-N 433.557 0.911 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 740850821 ASIFXPBQFJQLCW-UHFFFAOYSA-N 438.550 0.848 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742242371 ZMJRBRMKMWTJQU-FKHLYAMYSA-N 447.444 0.024 50 20 ICGD CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NNC(=O)C(=O)NC(C)C 749159763 KMVPTRSTOYGQGH-INIZCTEOSA-N 431.518 0.758 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 749447532 CTCDJFHYDJQHGP-KRWDZBQOSA-N 436.468 0.753 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 750096781 HADJKFUALXZDED-SUMWQHHRSA-N 427.413 0.336 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1OC 750121594 SRFWEBBWZVNXAQ-HNNXBMFYSA-N 433.461 0.657 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCn1c(O)nc2ccccc21 752000087 PUWSGLLQMYVAPM-UHFFFAOYSA-N 445.505 0.988 50 20 ICGD Cc1cc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 755425049 QTLSDIRKHJOPGT-UHFFFAOYSA-N 433.856 0.557 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(S(=O)(=O)CBr)CC1 758528071 OWUUEMXIIHOWCT-UHFFFAOYSA-N 444.307 0.499 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761254790 SLFSUPMIFQVLEM-NSHDSACASA-N 434.478 0.850 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)cc21 763602309 YXTAEUAJZRQREO-UHFFFAOYSA-N 434.412 0.832 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763680794 HSUNCGJGQASJQJ-UHFFFAOYSA-N 442.407 0.970 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 763806913 IMXMDCMSNFLJPN-UHFFFAOYSA-N 435.440 0.846 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 763838066 MOEYPHTUKMULPU-UHFFFAOYSA-N 442.403 0.640 50 20 ICGD COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764426146 TYIKCVHTLRIFGL-QGZVFWFLSA-N 442.428 0.449 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765619978 UMZJQOPTQMJZGN-AHCXZYCDSA-N 441.419 0.529 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc3ccccc3c2)n(C)c1=O 765721792 JKGZLZTVIAAHDY-UHFFFAOYSA-N 434.456 0.367 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)n(C)c1=O 765728369 ODCAKUBBTBOBQX-UHFFFAOYSA-N 432.440 0.562 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(S(N)(=O)=O)c(C)o3)CC2)cc1 765749281 LOGDZUIOJDAWRC-UHFFFAOYSA-N 449.533 0.123 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 767848512 AEMRCHGEIRCHEP-UHFFFAOYSA-N 425.326 0.705 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)n[nH]1 771271824 HRPPRJDFKSQGMC-QGZVFWFLSA-N 449.265 0.709 50 20 ICGD COC(=O)[C@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 771897673 JSBWJQFUWLXQTL-QGZVFWFLSA-N 434.474 0.251 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1F 773477979 FQGJSJUAFVVMCR-GFCCVEGCSA-N 446.439 0.996 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 773495943 IAOLLGUDQYPMJE-JTQLQIEISA-N 426.376 0.974 50 20 ICGD Cc1cnn(-c2c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(C)nn2C)c1 777775410 LSBLUMYSFBWVLQ-UHFFFAOYSA-N 430.494 0.591 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 778432881 CCXUVFRKHFCDFF-HNNXBMFYSA-N 434.493 0.976 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 782965923 KDNAONHNLWNZMH-UHFFFAOYSA-N 439.259 0.603 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c[nH]nc3C3CC3)CC2)cc1 789813500 JDFUHPLJRJRORH-UHFFFAOYSA-N 446.533 0.363 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1O)N[C@H]1CCS(=O)(=O)C1 790490796 CPTRELYLNUICOW-QMMMGPOBSA-N 439.231 0.128 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)NC(=O)OC(C)(C)C 792256424 HPHQSVXAWXTDJH-GFCCVEGCSA-N 443.526 0.794 50 20 ICGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 795294114 QSYBCCQXOIDFRO-INIZCTEOSA-N 440.499 0.611 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(C)c1 796989569 HVTLTXUUWDBZRS-UHFFFAOYSA-N 439.428 0.156 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(Br)c(S(N)(=O)=O)c1 797402060 UOPSPQGJPPUUCA-UHFFFAOYSA-N 444.267 0.381 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797437580 SEWHTSZLJPPYIC-OAQYLSRUSA-N 447.513 0.840 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)ccc21 799256963 CJADQJRWUGFOJS-UHFFFAOYSA-N 432.820 0.860 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976474 QOZBXVXLDJQNLV-WDEREUQCSA-N 428.367 0.122 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(C)cc1Br 806979906 KADPSRXOYUICFU-UHFFFAOYSA-N 438.238 0.975 50 20 ICGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2C)c1 815691814 BUOBXFDPWITLGC-HNNXBMFYSA-N 436.476 0.738 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 815692851 DGIIQSXOGLVMGB-CQSZACIVSA-N 434.460 0.690 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc(C3CC3)nc21 816877494 VPQYOKHEBXINBP-NSHDSACASA-N 438.448 0.010 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)nc2ccccc21 914748303 UHYWXSFDPBTZGP-UHFFFAOYSA-N 431.474 0.955 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CN(CC(C)C)CCO1 915922879 KZEALROUMQXBAM-HNNXBMFYSA-N 440.570 0.589 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCN(C)CC1 916258144 LHNSMKLRKAAWAB-QGZVFWFLSA-N 425.555 0.306 50 20 ICGD Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918550650 KDMBIZSJVTVZOL-ZDUSSCGKSA-N 432.458 0.423 50 20 ICGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1318911525 XRJUAEFWFYIZOV-CYBMUJFWSA-N 427.504 0.181 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1F 1339506137 JRYGCPFEMMXBLB-UHFFFAOYSA-N 436.469 0.800 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1nc(O)n2c1CCCC2 1779572731 ALCYDIJLVHCPFF-BXTJHSDWSA-N 440.928 0.652 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330571 BYJWWPNUVLJEFH-WBMJQRKESA-N 426.246 0.863 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1781814367 NHKPAMYWMWQBTN-CZUORRHYSA-N 433.230 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1783934282 CLNHULZCIPVAPO-AVRDEDQJSA-N 430.505 0.193 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981833 FRPZIFUFMGGERF-HZMBPMFUSA-N 444.248 0.668 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1O 1784084581 YJZMYFWTAFOOKH-KMCQBPLKSA-N 426.897 0.523 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785021869 WURWTLGPJOTQMQ-HVTWWXFQSA-N 435.952 0.623 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1787514474 BFFZPULBYCRTTR-WOOFSFRISA-N 432.359 0.864 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21 1788610233 LLFCWSVEVGRGGM-KKXDTOCCSA-N 443.529 0.583 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791218378 CTYUKCPZXNUEEZ-NVSCEKFWSA-N 445.520 0.715 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1791257802 UFKLIJUWQPLYPA-RAFUFLHNSA-N 428.913 0.563 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc(C)c1O 1791936384 PUGLYABAUZDCQA-WDSOQIARSA-N 446.548 0.975 50 20 ICGD Cc1nn(-c2ccccc2)c(O)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975928 DYIQEPXTGFZHCE-CXHZTBPHSA-N 448.907 0.689 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1ccc(N2C(=O)C=CC2=O)cc1 1793117762 CQXXCOCCIPVAJI-XLNGHYISSA-N 431.876 0.968 50 20 ICGD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc2c[nH]c3nccc-3c21 1798478796 IAZKHTBLCWYISQ-DLTLXFJOSA-N 445.907 0.809 50 20 ICGD CCOc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798829717 KCQXNLUHEOCJJJ-UPHUGPLXSA-N 438.289 0.282 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475673 QTKLLOSCQTYYAA-HNNXBMFYSA-N 446.294 0.213 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1)[C@H](O)N1CCOCC1 1819448439 QXDHOFBCGDPNDA-GHJWDPDVSA-N 448.293 0.743 50 20 ICGD CC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795216 KHAOEEGFXLTADL-NSHDSACASA-N 430.490 0.737 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cncn1 1822416423 CZPCDEZKHJWLMU-HIFRSBDPSA-N 431.501 0.628 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3)sc2C1)c1cccc(B(O)O)c1 1827285022 UUCXDGJEFHQDGP-UKRRQHHQSA-N 431.348 0.944 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830250698 GFOJUHLGKRZKHB-FXAWDEMLSA-N 444.887 0.651 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830539846 JMRBCKMZQNXUBC-MEDUHNTESA-N 431.287 0.216 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832244759 AXKAYMLMYFZXAP-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597313 COLYKNPVULHZCL-RDTXWAMCSA-N 443.294 0.883 50 20 ICGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1)C(=O)O 1834737946 KOKWWSCCPGCFIL-HNNXBMFYSA-N 447.374 0.406 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835467380 XPHACIRMDRMEPD-IUODEOHRSA-N 428.835 0.775 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835621914 YLVWDQUKWNJGJH-GTNSWQLSSA-N 445.314 0.666 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1836062833 XOBSKBNADHRLOL-ROUUACIJSA-N 433.336 0.655 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(F)CCCCC1(F)F)CCO2 1836621134 ATFDTTNMXKNIOB-KBRIMQKVSA-N 442.862 0.960 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717511 DJQQTKGYEZWGBG-DLBZAZTESA-N 444.985 0.611 50 20 ICGD O=C(CCCCn1cccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837617397 JDJLMCLJMOPQOV-YLJYHZDGSA-N 427.929 0.715 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837711848 SWIRNAIRJZPFOW-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1838218880 UYAZPRRNZZRVED-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839147223 KHKXNVZLOZTYTG-ZWOKBUDYSA-N 430.977 0.096 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151544 VZKFQIMRUQDGQN-DLBZAZTESA-N 425.309 0.632 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839306271 WRJGSDUIUZAATN-IFXJQAMLSA-N 430.860 0.855 50 20 ICGD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)n1 1841924219 KJWFHWDLWCSSEA-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnsn2)C1)NC(=O)NCc1ccccc1 1842225801 LPLPWAQLFSDGAE-UHFFFAOYSA-N 443.533 0.701 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842778181 QYSGOPHVRAQYGW-LBPRGKRZSA-N 437.946 0.367 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1n[nH]c(C3CC3)c1F)C2 1844263753 QSFXRGGPMPUUSA-UHFFFAOYSA-N 427.440 0.556 50 20 ICGD O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 8667287 MGMFIBFLIZLUHG-UHFFFAOYSA-N 440.368 0.585 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 14327296 ZYIVLMDBVCHTBP-VFZGTOFNSA-N 425.850 0.977 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1ccccn1)n2C 17329393 GGXDBWBZLYIETE-UHFFFAOYSA-N 430.490 0.612 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 24260034 QXKAWMARTQPASZ-UHFFFAOYSA-N 440.503 0.698 50 20 ICGD CN(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(=O)(=O)c1ccccc1 116908387 VMTQFYMKBOLVOX-UHFFFAOYSA-N 429.458 0.015 50 20 ICGD CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NNC(=O)C(=O)N3CCCC3)nn2)CC1 725713718 UKYGQCVSJGFDQM-UHFFFAOYSA-N 435.485 0.234 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1 728202920 DGRFBRGEWHJXLK-HNNXBMFYSA-N 437.497 0.956 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3ccc(C(N)=O)cc3)cc2)CC1 728215800 JEKZPHUIYIGHKO-UHFFFAOYSA-N 447.517 0.244 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 728941188 REJLRUMLCYCKSI-UHFFFAOYSA-N 447.517 0.317 50 20 ICGD C[C@@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 728961374 HCRMTVOGSMMDQL-OAHLLOKOSA-N 425.493 0.728 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672656 JIKNFPGIQHOJJQ-LBPRGKRZSA-N 434.515 0.302 50 20 ICGD O=C(CN1CCN(Cc2nnnn2-c2ccccc2)CC1)NNC(=O)c1ccc(F)cc1 732204823 SUPAZMPWLPTYPL-UHFFFAOYSA-N 438.467 0.380 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732327053 DIPFBPPDLQLMIF-SNVBAGLBSA-N 432.311 0.310 50 20 ICGD Cc1cc(C)nc(-n2cc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c(C(C)C)n2)n1 742576884 IMDCQOJGFHNGTK-ZDUSSCGKSA-N 435.510 0.534 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 743738207 WBCGEELNLUMMRO-UHFFFAOYSA-N 429.458 0.770 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 743829921 HACQXRMIQSKISM-UHFFFAOYSA-N 426.401 0.951 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744602925 ZSWXICDWSYYPEU-UHFFFAOYSA-N 444.469 0.268 50 20 ICGD O=C(NCc1ccc(F)cc1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621682 YJQDVKLWOPUCGX-UHFFFAOYSA-N 436.465 0.606 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 745736509 OWETUNLAAQKJFY-UHFFFAOYSA-N 445.457 0.722 50 20 ICGD O=C(CCCCC(=O)NN=Cc1cn2cccnc2n1)NN=Cc1cn2cccnc2n1 757561711 UDJMYDGDRXJMSM-UHFFFAOYSA-N 432.448 0.933 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 757871224 DXVBQHAHUVYZPU-CZUORRHYSA-N 449.489 0.852 50 20 ICGD COc1ccc(Br)c2[nH]c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc12 758039235 ITNDYSOYFRLJKA-SSDOTTSWSA-N 433.284 0.638 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440023 VQJGGRYVXTZSHB-HXUWFJFHSA-N 439.513 0.939 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C1(C)CC1)N(S(C)(=O)=O)CC2 761013275 RVNHUFZSWRHALA-CQSZACIVSA-N 425.507 0.900 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CSc2ccccc2OC)c1 762361662 QSBBRFYMHPDQLV-UHFFFAOYSA-N 442.519 0.501 50 20 ICGD CS(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)Cc2ccccc21 763485028 KIUAWHQMNQPDGN-UHFFFAOYSA-N 435.462 0.032 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 763727187 GREJFJDSHGEPPO-MRJKMQNQSA-N 440.500 0.890 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1=O 763733831 GZZTXRGQPLNEIM-UHFFFAOYSA-N 444.488 0.714 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1S(N)(=O)=O 763746072 QAWGIJXGMDSIPK-UHFFFAOYSA-N 445.501 0.181 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 763803279 KWKLPERJSIYZMZ-UHFFFAOYSA-N 443.416 0.596 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763920133 FOGVAIZVGCQJDZ-UHFFFAOYSA-N 436.465 0.843 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764024675 JLWDAIOEHKPJBA-UHFFFAOYSA-N 436.515 0.861 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)c2ccccc2O1 764102506 ZZNMJLWXNVIYFW-OAHLLOKOSA-N 445.863 0.816 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 764276089 ZCRKEJOKZFWRFK-UHFFFAOYSA-N 443.384 0.553 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccccc2O)CC1 764279969 JPEKMBCYJVCHGQ-UHFFFAOYSA-N 427.461 0.309 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764367951 PXLXSGONWZAUKU-UHFFFAOYSA-N 433.486 0.576 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)n[nH]1 765583235 IVYJJDLWRVFGSK-UHFFFAOYSA-N 430.284 0.806 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNc2nccnc2OC)n1 766261453 ACXDZTQUNMXNDK-UHFFFAOYSA-N 425.405 0.929 50 20 ICGD CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640776 WFEIPYUJUBWBCY-OAHLLOKOSA-N 432.525 0.968 50 20 ICGD CC(C)(O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 768260913 ICTGRGUJXQEGLB-UHFFFAOYSA-N 431.820 0.946 50 20 ICGD Cn1cnc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 768987095 ZTRNPWIMPYCLSK-UHFFFAOYSA-N 435.491 0.822 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)nc21 770397686 WQCSKEXNSMFDED-AWEZNQCLSA-N 447.544 0.320 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1F 771142099 DOOGMYDAJMKTMK-UHFFFAOYSA-N 431.467 0.724 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3sc(C)cn3c2=O)cc1 771599416 LMZITNZTJQIQIR-UHFFFAOYSA-N 449.514 0.455 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772196029 XATXAXWBXAJNEN-YUNKPMOVSA-N 449.895 0.604 50 20 ICGD C[C@@]1(CCCC(=O)NNC(=O)COc2ccc(Br)cc2)NC(=O)NC1=O 772707817 VPMPOORWJMPODO-INIZCTEOSA-N 427.255 0.744 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 773417211 QNWHBRJNNHAJCO-ZDUSSCGKSA-N 432.481 0.668 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 775251921 FYDBZNDBWFGGAS-UHFFFAOYSA-N 442.519 0.929 50 20 ICGD CN(C)CC(=O)NNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 775479896 LWPBPERANATECP-UHFFFAOYSA-N 440.508 0.082 50 20 ICGD CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 776068256 ADGSSQYLUBIWHP-KBRIMQKVSA-N 440.570 0.703 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 784002176 LKTWUYHDWISOFA-UHFFFAOYSA-N 446.313 0.876 50 20 ICGD COCCOc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1OC 785061633 ZOTHNGJMSXLTNY-UHFFFAOYSA-N 441.444 0.697 50 20 ICGD Cc1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc(S(N)(=O)=O)c1C 794716700 FHBSJVVZNQWEPD-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD CCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 794856841 LNSZDBDVXCHECI-LLVKDONJSA-N 436.943 0.849 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799258565 DVBWGGZWBRUENN-UHFFFAOYSA-N 426.271 0.567 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 800595299 ANWJVGOCQRTRNV-LBPRGKRZSA-N 431.424 0.922 50 20 ICGD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 801927185 JMGVLLBIGZNINN-UHFFFAOYSA-N 444.423 0.535 50 20 ICGD COc1cc(NC(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 802080543 HOPLKNZHMMJQNF-SNVBAGLBSA-N 434.902 0.629 50 20 ICGD O=C(NNc1ncccc1F)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 807302611 LGWLVNFSQFOTCW-UHFFFAOYSA-N 441.416 0.463 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 810195228 CETNTNHEUIEQAG-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1 810385895 DINFVWBPDQFVNZ-GFCCVEGCSA-N 440.412 0.774 50 20 ICGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2C1 816877332 RHQWTZDPXBRLEM-LLVKDONJSA-N 430.469 0.318 50 20 ICGD O=C(NN=C1CCN(c2cnccn2)CC1)C(=O)NN=C1CCN(c2cnccn2)CC1 915936113 BDSUMOWOCMCQGN-UHFFFAOYSA-N 436.480 0.112 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 916104993 QAUHWSFNZUVJDV-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)c2ccccc2c1=O 917494090 GRFYVIPTEYKIJA-ZDUSSCGKSA-N 425.449 0.094 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 919886571 SKCMZZVWIZFUHW-MRXNPFEDSA-N 438.506 0.553 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 919890049 ZENJQPCCAPFQGW-BCCLAGOXSA-N 437.522 0.737 50 20 ICGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1cncn1-c1ccccc1 1338278253 ZGCJUUOEDWALRH-KRWDZBQOSA-N 427.509 0.759 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1778786592 ADAAEVUODNSODE-HWWQOWPSSA-N 436.303 0.054 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779234863 CEBJKGCLGTUHEV-MGPUTAFESA-N 440.928 0.371 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1782001596 GCSQKTJYTWUJDW-PMUMKWKESA-N 441.326 0.541 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783870873 ICESZDGURGEYMY-ZANVPECISA-N 434.770 0.425 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cl)COC)C3)C2)ccn1 1783883219 WTIJICBWHPGXHU-MGPUTAFESA-N 439.896 0.956 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783938080 SLCBMIJIAVZZOX-PEAOBZDDSA-N 435.550 0.668 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785842464 YJOFXTXKTXADRT-MNXVOIDGSA-N 427.299 0.807 50 20 ICGD Cc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1786593502 LONGLMREXVNKQR-IHPCNDPISA-N 446.548 0.727 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981076 PCTSDPLTCDTLFX-QOKNQOGYSA-N 444.243 0.552 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c[nH]1 1788610113 DXNPHMZEUWKROZ-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789920842 ACDUYWPNVLJIFQ-OPVXHNCFSA-N 432.290 0.515 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3)C[C@@H]21 1791286871 NFMZTMZCVKHDSQ-JYJNAYRXSA-N 437.928 0.701 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cnccn1)C2 1792870657 HRHDOOFIQJACAJ-YMSVYLFOSA-N 440.342 0.898 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793703481 RSRVAYWCPNXFMI-FWKYCFCSSA-N 444.536 0.921 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793712987 AYUJLAJJWIXASL-YVWYUNDQSA-N 431.569 0.872 50 20 ICGD COc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739922 QZSLCZRXXJTWQA-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C3)CC2 1800409425 SGQNCOHFNIVSLB-DAQZSUFXSA-N 436.936 0.989 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1800974347 UGHGWKWQBJWJEV-MBZOWXSBSA-N 441.956 0.621 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803146947 RSHYYNLVFAMTQD-SGMGOOAPSA-N 436.818 0.366 50 20 ICGD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805854221 NYBBNGBINUKNPU-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)CC1 1806485655 SXKDUPFNICZOMM-KRWDZBQOSA-N 436.475 0.904 50 20 ICGD O=C(Cc1cccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807618325 DVFFWHFGBIPMLM-REWPJTCUSA-N 444.300 0.719 50 20 ICGD O=C(Cc1ccccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807652176 AYLATVKHEAURMJ-WMZHIEFXSA-N 444.300 0.719 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)COC1 1812489582 ZNPLBTPLFRNCGD-QUCCMNQESA-N 437.305 0.508 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812869466 XEXPUOKSTOZPDM-YPUPRDRTSA-N 425.327 0.594 50 20 ICGD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1813456421 BRADMECEYGGEMV-KNQAVFIVSA-N 447.304 0.057 50 20 ICGD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354961 JGYBRFSIJJJQHO-AWEZNQCLSA-N 425.279 0.096 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CO[Si](C)(C)C)CC2 1819468155 QBKPXWVJGVQHGY-BONVTDFDSA-N 444.586 0.971 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O)CC2 1826008908 KALGZOFQLDTADQ-FJHFEUQMSA-N 433.914 0.925 50 20 ICGD O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1 1826359639 MNLWVQFNRSLURH-QGZVFWFLSA-N 448.402 0.678 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C(=O)c3cccn3C)sc2C1 1827003663 ZDSCIBUNNIURQI-GFCCVEGCSA-N 446.533 0.650 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297095 KHVUAUWQFTWYQB-MAUKXSAKSA-N 448.358 0.485 50 20 ICGD C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833707850 VLFFRBBKLRQBGZ-UHFFFAOYSA-N 439.626 0.850 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601342 HRFVKQNGBVJBHV-ACJLOTCBSA-N 443.294 0.741 50 20 ICGD O=C(Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835802117 FZAAUDQUVGKFFP-KRWDZBQOSA-N 437.928 0.191 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939288 KTKSIJASPAFPCG-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028944 REGRKKWZPCWHPI-GUYCJALGSA-N 445.314 0.550 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836160895 AEYOHFFYFKOVTD-PBHICJAKSA-N 429.315 0.371 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836399474 ANUUWHHEJARUIL-SFHVURJKSA-N 432.352 0.670 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827910 CLBWUYUZFFUJBZ-BZNIZROVSA-N 445.270 0.776 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839197966 NWSUJLXSCHOPSB-CZUORRHYSA-N 431.262 0.546 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1839964612 XAJICUVWSDYHCU-YEWWUXTCSA-N 448.358 0.483 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030645 RHLSBSJBOSHZDZ-KPZWWZAWSA-N 443.342 0.890 50 20 ICGD O=C(c1cnn2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187434 ALXJNPIFNHAQPL-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014321 XKAYQOIZIFJPOG-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCC(=O)N(C)C)cc1 11531881 PWBUXEOPIBPEPR-XNTDXEJSSA-N 425.445 0.972 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 60369036 JZLUYGOBOZOSGI-UHFFFAOYSA-N 440.503 0.540 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1nc(-c2ccncc2)no1 728073322 FQKPEAXSPKMYOK-UHFFFAOYSA-N 446.445 0.715 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2)cc1 729833310 DNQGGZJMTGTCJL-MRXNPFEDSA-N 432.458 0.536 50 20 ICGD Cc1sc(=O)n(CCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 734418374 CMUSXYICOPOCDC-UHFFFAOYSA-N 432.911 0.679 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1C 743853798 PAWUWHDMOFMOAM-UHFFFAOYSA-N 430.486 0.911 50 20 ICGD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NNC(=O)c1cccc(C#N)c1 744404186 JNBVSQVUZDUEDB-UHFFFAOYSA-N 444.536 0.804 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 747603002 UHCZWURLHHSMLI-SSDOTTSWSA-N 445.302 0.524 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1 748246673 NULOJYGDYOXAOS-AWEZNQCLSA-N 426.926 0.961 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 748690870 FWXAOEIZHNXPOW-UHFFFAOYSA-N 429.476 0.757 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 748696922 YFDXJFNFKVSNCJ-JMLCCBQJSA-N 435.477 0.312 50 20 ICGD CC(C)(C)C(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 749421073 PVGAGYLPBIRNSC-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 751280768 UTDZYRMUUHKSKR-UHFFFAOYSA-N 425.492 0.052 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 757799079 SUODBSJPUYBKEI-LBPRGKRZSA-N 449.555 0.101 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 758027562 WIIWIMGFYJKUOA-KCQAQPDRSA-N 442.538 0.974 50 20 ICGD O=C1CCc2cc(F)c(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2N1 763572581 SGDDQCRNYATSMZ-MRXNPFEDSA-N 428.376 0.636 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1 763678582 HARREAQGEPHSRF-UHFFFAOYSA-N 437.412 0.675 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 763679548 AKIDZWDUTAKKAU-UHFFFAOYSA-N 436.446 0.049 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 763680776 HRDGSGPSLQGCDG-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)c2ccccc2c1=O 763789706 AUCMILWZKTYGHR-UHFFFAOYSA-N 445.382 0.977 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)cc1 764133550 WLOMXVIHVCFQTR-UHFFFAOYSA-N 431.401 0.742 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc21 764205062 YBJVNEDIEMUGOX-UHFFFAOYSA-N 435.481 0.906 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764266761 KOQFTEXVWAZPIY-UHFFFAOYSA-N 433.490 0.489 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c(OCC(=O)N(C)C)c1 764278985 VPYIYUFLSYBTPY-UHFFFAOYSA-N 442.472 0.886 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 764382654 OMTZPXSRCHPBQU-UHFFFAOYSA-N 442.457 0.906 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)CSc2ccccc2O)cc1S(N)(=O)=O 765248774 UJLGEXLPRODKAN-UHFFFAOYSA-N 443.478 0.670 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n[nH]1 765586340 DKXHARJNIUYVCL-UHFFFAOYSA-N 437.478 0.399 50 20 ICGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 767737610 CPMXGRLRUAJAMT-UHFFFAOYSA-N 444.985 0.818 50 20 ICGD COCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 767850490 KSVXNZXNMUAXQC-UHFFFAOYSA-N 427.342 0.822 50 20 ICGD CSC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 770988826 BGZSUFJMKTUBPI-UMNHJUIQSA-N 433.494 0.419 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 771849601 HLPOSPYBPJVBMN-LLVKDONJSA-N 434.478 0.649 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 771920822 FRDAAIPOSZTOOO-NSHDSACASA-N 446.913 0.625 50 20 ICGD C[C@]1(NNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCS(=O)(=O)C1 775226848 WRWMMMKLSRZXPV-BBRMVZONSA-N 445.339 0.935 50 20 ICGD COc1cc(C(=O)CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 777281788 KFWGEOXHOUNDSO-NSHDSACASA-N 428.463 0.257 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NN=c1cc[nH]cc1 780754867 FESKFXHXLRXYDP-UHFFFAOYSA-N 435.481 0.399 50 20 ICGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1F 782896340 FRGIIOHRRKKJHF-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)nn1-c1ccc(Cl)cc1Cl 782965001 CUJBAMWTRIZHPM-UHFFFAOYSA-N 439.259 0.852 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 784002018 ITRXURWJJOCOHE-UHFFFAOYSA-N 446.313 0.876 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 784003666 LCJIBHVPLKXHDB-UHFFFAOYSA-N 449.464 0.240 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 784847581 JWFZKUXGRMCENQ-CHWSQXEVSA-N 431.453 0.004 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 787135014 OGMWKRCTCNICGB-UHFFFAOYSA-N 446.533 0.852 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 788159005 SCVSUNXYAJCXFY-UHFFFAOYSA-N 429.495 0.099 50 20 ICGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 789584272 GECKIRPXEBPZQV-SECBINFHSA-N 440.254 0.745 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)cc1 801106661 FHENTRICNOKFEC-QGZVFWFLSA-N 425.424 0.999 50 20 ICGD N#Cc1ccc(CN2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 807136466 SFCJBVMHSHMDSG-UHFFFAOYSA-N 431.460 0.706 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c(Br)nnn2C)cc1OC 811450120 NZRYFLSDMPRIGF-UHFFFAOYSA-N 442.226 0.213 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 815691040 CZWBFBWDMUYRLM-LSDHHAIUSA-N 442.476 0.575 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816873980 RVAXDOIUBQFKDE-GDBMZVCRSA-N 441.448 0.509 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 819727212 BTGACIKRVITHFU-SFHVURJKSA-N 443.522 0.378 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)C3CC3)c2)cc1 914857762 ZFYGXKZIDYMDBN-UHFFFAOYSA-N 446.485 0.783 50 20 ICGD CCN(CC)CCC(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 916126978 RNKDWYIMBQLERQ-UHFFFAOYSA-N 443.595 0.757 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cn2)CCO1 916392930 PXAWBHFYNJQJRK-RDTXWAMCSA-N 427.461 0.977 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 918090649 JIOSQOZXYZPVCZ-UHFFFAOYSA-N 438.448 0.321 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 919623006 FWXRXOLTTHJVDJ-UHFFFAOYSA-N 439.377 0.755 50 20 ICGD CCCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 921041630 GHTCYUJNUFVDMW-GLNPCMGASA-N 446.551 0.120 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2cnc3ccccc32)cc1 1248468039 SMPYJXXFPRTVAK-UHFFFAOYSA-N 431.474 0.561 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1317717611 PDPDDSDXQWTFIJ-UHFFFAOYSA-N 441.469 0.814 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCC(=O)N1CCC[C@H](C)C1 1515054241 NGAYVMNMSMGRCA-ZDUSSCGKSA-N 438.554 0.881 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@@H]1Cc2ccccc2CN1 1777980625 PFSKLLLPZMKCDF-PSHVLCQKSA-N 435.952 0.815 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779606039 JSSCIDPUFJMBAK-XMSQKQJNSA-N 440.309 0.148 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781225141 UHVTUJJSNDIADQ-JKSUJKDBSA-N 434.280 0.858 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc21 1782307751 XOHAPUFCLFSHTB-XMMPIXPASA-N 448.284 0.253 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1782316504 HGGGKAJSYLUQOB-RGYTYGDFSA-N 446.273 0.116 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783353868 RATPTMVLFRJULS-BXWFABGCSA-N 445.402 0.626 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)n1 1783534817 OZZLNEMLAQPUOR-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091093 JNMMRZCCAKDKMS-VTPLQMEGSA-N 432.304 0.937 50 20 ICGD O=Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979867 MNENFYKBFRVUIH-WBAXXEDZSA-N 442.302 0.148 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1787507467 XIEXMVXODLPKNX-MPKALDKKSA-N 444.536 0.196 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1787508153 KTKKESAECOLCTI-BDEQVHRXSA-N 429.477 0.079 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)sc1C 1789133402 NHYZLHPEHFXHLB-JYJNAYRXSA-N 437.566 0.726 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1789709889 VXEFEFILNIUUJZ-GZCFXPHUSA-N 444.916 0.406 50 20 ICGD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793538609 BZAZJIRLZOGFDU-UGYGMJENSA-N 437.522 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nc1F 1794246123 QBFLDQGXUMPAQN-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C)n1 1794722695 BDPZJULGQCWYEK-SNOXVSQISA-N 441.492 0.066 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736704 BWTXKALOMDFGEL-QIVXJAGTSA-N 435.289 0.068 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930952 OAXATXVFYNGIAK-WJNVRWDZSA-N 444.941 0.449 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Cl)cnc2s1 1796364750 LGPQSVYPOLLKMZ-LYIQGSDWSA-N 428.873 0.802 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc(C)c1C)C2 1796439608 QRIUUYAKJPKXHM-QRUVTEGNSA-N 442.476 0.629 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)oc2ccccc12 1796903077 MYBJJIPEXLSEQI-UPHUGPLXSA-N 448.284 0.938 50 20 ICGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)cn1 1799347759 UHOHVVVMWTXBQV-DJBIQUGXSA-N 431.262 0.769 50 20 ICGD CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799866199 ZKHVVQFKALEJFC-FCGDIQPGSA-N 431.537 0.742 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C2)NC(=O)NCc1ccccc1 1799871453 GVIHJUYWMUAXBQ-NCQGUEQISA-N 443.548 0.742 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1802270058 LNQQKLYGIWGUOS-XLWJZTARSA-N 433.933 0.764 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCC2)[C@@H]1c1cccnc1 1802561042 WWEJAVDIUAVJID-GCJKJVERSA-N 430.553 0.556 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1 1810299074 NJYJXPCIUKTNBR-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD COC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1812692631 NKOFCJHWGKPAGS-QFBILLFUSA-N 445.520 0.414 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814221816 JWGKPOLVKMUELA-OSAQELSMSA-N 426.315 0.787 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873229 TYQPWVCFVXKGGI-BMFZPTHFSA-N 426.949 0.637 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)c1ccco1)CC2)c1ccc(B(O)O)cc1 1815335552 DYNFBBTYJNTPHC-SUMWQHHRSA-N 441.274 0.375 50 20 ICGD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815344348 VAIRKQFJIBPJBY-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361128 YQIWOPZFUQBMHV-AWEZNQCLSA-N 439.306 0.702 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823749267 LWUYNFSKFUAINR-SCEWNMGZSA-N 447.580 0.838 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cccn1 1826092279 XEOXFZWPXROLAQ-STQMWFEESA-N 433.538 0.886 50 20 ICGD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827335448 KTPSJRXPFLECFJ-AWEZNQCLSA-N 429.307 0.354 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719288 BPDSLCXPEPAWIJ-FXAWDEMLSA-N 446.878 0.954 50 20 ICGD COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724723 AZQPXKAZEQGWHM-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)[C@H](O)CCl 1833310897 XXZDGNDVMXFBIK-CYBMUJFWSA-N 428.877 0.103 50 20 ICGD CSc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1O 1838562393 DQOWRUMHBKJUMB-AUUYWEPGSA-N 444.937 0.784 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155359 RRXSQIWVHDYYSU-IAOVAPTHSA-N 443.393 0.793 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839355241 RSRSCWOLZSYXRP-RDTXWAMCSA-N 445.831 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840030073 ZNLDGNGRPWKXHU-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840036506 MGBIQKVXUHOPML-KIBLCYBISA-N 431.327 0.794 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840151027 VDDNFDFEHVYIMJ-UGSOOPFHSA-N 448.303 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840151730 MQXZMZZWFUODRF-RDTXWAMCSA-N 444.941 0.279 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1840152169 ZZHFUGLKSCZWRK-KSSFIOAISA-N 430.910 0.884 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1840153285 JQBUCEFROKQKOY-FTRWYGJKSA-N 440.928 0.592 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1F 1840681227 QGHHDDURZVDPGC-KXBFYZLASA-N 430.860 0.504 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)C1 1841343304 HZMNJTDQFMWVJN-FEEMDCCFSA-N 443.504 0.913 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130552 JYLCEOZZHMMANV-HNNXBMFYSA-N 435.333 0.891 50 20 ICGD COc1cccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c12 1845649086 HTSZYVUOKLFPAN-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD CN1CC(C(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)C1 1846715966 WJWQBTCIENAZHX-UHFFFAOYSA-N 428.537 0.098 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c2ccccc2c1=O 17163341 JONLMIIFKRYVQN-UHFFFAOYSA-N 449.475 0.447 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 23567422 OBXKJPWOIQFDOT-OAHLLOKOSA-N 440.431 0.812 50 20 ICGD Cn1cc(CCCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 726851415 NVPQVJXLEUULDW-UHFFFAOYSA-N 434.522 0.781 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 728179775 KEDDNFXKHJXYCE-SNVBAGLBSA-N 444.362 0.764 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 728204694 JBCBCSQSRSOBAZ-INIZCTEOSA-N 448.549 0.995 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456008 LXXZQZAZEFSNCU-UHFFFAOYSA-N 445.299 0.576 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C[C@@H](C)O1 732260042 NTPFBJHAOWEABN-HUUCEWRRSA-N 441.488 0.270 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)NC1=O 732339552 OWOPTOOQDXLKDG-SNVBAGLBSA-N 428.357 0.932 50 20 ICGD Cn1cc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 734990215 DEXBDABCFOAMIB-UHFFFAOYSA-N 438.440 0.503 50 20 ICGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(SC)cc1OC 741163335 LBVWTYOEHSREFJ-UHFFFAOYSA-N 439.519 0.461 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Br)c1 742773222 QKOGRMHJRRGPDR-UXOAXIEHSA-N 436.262 0.763 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)NC2CCCC2)c1 744470015 PKUXGIQWZPWPPC-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD C[C@H](O)CC(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745845868 CNNFPIIBQCIWDB-AWEZNQCLSA-N 428.559 0.441 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)COCc3ccccc3)CC2=O)c1 746285959 WELMZZNJBRFOTC-HNNXBMFYSA-N 446.485 0.051 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccncc3)CC2)cc1 747323641 CUSZTDUELOOKQF-UHFFFAOYSA-N 432.502 0.881 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C 748087289 OMBLVFUEQPZDFO-UHFFFAOYSA-N 439.457 0.467 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc(Br)s1 748095706 XLGNWXLYXWVHJS-UHFFFAOYSA-N 441.329 0.117 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)CNC(=O)c1cccs1 751206053 AEMSHTKWCYIDCA-AWEZNQCLSA-N 431.453 0.543 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC[C@@H]1CCOC1 751210167 CCMBHESJGJRQQQ-QGZVFWFLSA-N 439.534 0.604 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=S)N[C@@H](C)C3CC3)CC2)cn1C 751620925 ZUKJTGIQPLDXGH-NSHDSACASA-N 428.584 0.423 50 20 ICGD NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 754241068 UMCMAYOZJIGVGK-IBGZPJMESA-N 429.908 0.945 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NNC(=O)Cc1ccncc1 756246684 FGRIOGIQZZQTNQ-UHFFFAOYSA-N 426.477 0.873 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 758029708 NHFQHEMEXDTFCH-SECBINFHSA-N 433.918 0.959 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 759354442 HUJHSWKDZXOZQF-UHFFFAOYSA-N 439.515 0.392 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 760475498 WMQVYLOVDQIIFV-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD Cn1cc(-n2cc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2=O)cn1 760842144 DKJMVAIQHKOERC-UHFFFAOYSA-N 440.372 0.097 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)CNC(=O)c3cccnc3)CC2)cc1 763195311 NGWLPWYDYPETLO-UHFFFAOYSA-N 445.501 0.777 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763431899 WBSJMUSOKKMNGF-ULJHMMPZSA-N 443.485 0.899 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1ccncc1 763462726 SNPWRYRKBYWJDF-UHFFFAOYSA-N 446.363 0.783 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763745209 AWEONSJNCLKATC-UHFFFAOYSA-N 438.488 0.457 50 20 ICGD Cc1ncccc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763796869 JPZQGNDSAVQKNT-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763849567 KHZLIYURTTYELD-GFCCVEGCSA-N 433.392 0.931 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 763872195 LRUFJQQJRXXMAN-GFCCVEGCSA-N 440.412 0.888 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763872216 LBQRONRXQSAYHE-ZDUSSCGKSA-N 443.435 0.904 50 20 ICGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916226 DQQISYORQXKTPX-UHFFFAOYSA-N 441.379 0.378 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1C(=O)OC 764041106 QSXZZBYBOFLTCB-UHFFFAOYSA-N 429.385 0.668 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1-n1nnnc1C 764110472 PITWXHASPQTLGZ-UHFFFAOYSA-N 425.405 0.393 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1F 764152220 CIKUWJSXZUPJNK-MRXNPFEDSA-N 435.433 0.460 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 764204445 OFQCRSLPXHXDJB-UHFFFAOYSA-N 447.492 0.986 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)C1 764285356 BHEDOBUQNRKKIE-KBPBESRZSA-N 426.477 0.856 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764362163 ACKGQTPLWXKXMC-UHFFFAOYSA-N 428.445 0.456 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 764394209 YMDCOPJSZNCPGB-UHFFFAOYSA-N 438.487 0.372 50 20 ICGD O=C(NNC(=O)[C@]1(O)CCSC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 765522521 OVTNPOSKJQVMQY-IBGZPJMESA-N 435.527 0.794 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 767058463 QIYGGLWXFLXOEA-ZDUSSCGKSA-N 440.342 0.951 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(F)c1 769862276 RBJDIPKYIUXGRQ-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1nc(O)c3cnn(C)c3n1)C2=O 770980854 UQRUEMMVNDFDGA-OVWNDWIMSA-N 430.469 0.649 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 772635590 DIRMSWIETPIDSM-UHFFFAOYSA-N 435.448 0.963 50 20 ICGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 775204234 YOKHZNFPJYYYGM-UHFFFAOYSA-N 428.474 0.972 50 20 ICGD C[C@@H]1CN(CCOc2ccc(CCNC(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@@H]1C 775455182 OXGDWOUJTWCYJA-IYBDPMFKSA-N 431.537 0.805 50 20 ICGD COCCC[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 777878705 JTCNCCXUDCGFIQ-INIZCTEOSA-N 441.550 0.850 50 20 ICGD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002991 NYPMOHWGVFFKDQ-UHFFFAOYSA-N 443.460 0.714 50 20 ICGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNc3nc4ccccn4n3)ncnc1-2 790297099 XXNHTIMRXQDASZ-UHFFFAOYSA-N 446.273 0.280 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 793220009 JBWMQVOEJYZBIA-UHFFFAOYSA-N 428.474 0.623 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Br 793448049 QNQPOIOJRAUCMA-QMMMGPOBSA-N 444.267 0.311 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799674003 WODYVYQHDJYDIU-UHFFFAOYSA-N 430.408 0.955 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1Br 799926663 UZUGDSMHBCWPBP-SNVBAGLBSA-N 435.300 0.565 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 806974034 QVDLBIDFGDBEPB-UHFFFAOYSA-N 439.428 0.099 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1-c1ccccc1 807004868 XPNXDTHLBYAIEP-UHFFFAOYSA-N 426.458 0.665 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNc3nc4ccccn4n3)c3ccccc32)N1 807033349 MWNHZBQSCJSLNE-ZIAGYGMSSA-N 435.444 0.208 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1 815565084 BXDMZXCTDMIGKU-UHFFFAOYSA-N 425.854 0.738 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NN(C)CCOC)CC2=O)cc1 816561377 VTCVPEMZIFQXJH-OAHLLOKOSA-N 426.539 0.679 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 916249716 HGLYPPPAIGSPHA-ZIAGYGMSSA-N 440.570 0.731 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 917940569 BOIPSOACKJWAAV-OLZOCXBDSA-N 426.470 0.652 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 917940572 BOIPSOACKJWAAV-STQMWFEESA-N 426.470 0.652 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(CC(=O)N(C)C)nn1 919925983 ALYXIRPKTFQFKX-JTQLQIEISA-N 439.270 0.357 50 20 ICGD COc1cc(Br)c(OC)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1251233379 RRBIXJUKWUUEIE-QMMMGPOBSA-N 436.284 0.597 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 1320411015 UWQZYKBBJIZEPA-UHFFFAOYSA-N 426.398 0.472 50 20 ICGD O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1781484001 KVDUSUJKCFPAAO-RDTXWAMCSA-N 441.326 0.542 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)c12 1782521860 ULEFEKNISXSYAT-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784031462 HOIGUKYXDJWOKU-JBACZVJFSA-N 426.322 0.728 50 20 ICGD C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786981842 BTTHOSMTGVJXAG-IHPCNDPISA-N 428.338 0.952 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1787508374 HHPXLIBHCFDOPQ-ARQYOALSSA-N 439.476 0.204 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc(Cl)ccc1F 1794231938 CYBLDEVTNNJYOF-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439463 GNCREHJCRNXMLZ-FWLCGHDSSA-N 433.509 0.117 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(N2CCCC2)ccn1)c1ccc(B(O)O)cc1 1797051679 OMZHGSALSXIMKP-NUZGMZIFSA-N 448.332 0.927 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(-c2ccncn2)noc1C 1798490706 NSXREZCOJOXPFK-UMPJEAMMSA-N 449.895 0.897 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc([N+](=O)[O-])cc2c1OCC2 1798518310 KSVBYHIVUDGQFA-NOXHYTERSA-N 439.852 0.333 50 20 ICGD Cc1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2[nH]1 1800114975 WJNBGJWJYKUQRO-HATOLVCRSA-N 447.300 0.673 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1800639062 GYWWJGFMYPZFRA-OQMKEHIESA-N 426.311 0.762 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1802026993 ZUMKYJDRFKIFMR-GTDBDLECSA-N 445.944 0.595 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803139574 RCASTRZEIXXJEG-NXHRZFHOSA-N 435.912 0.844 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026056 PCURMJHGZFMAJB-DZKIICNBSA-N 432.845 0.830 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374839 JYHMZEQTUBWOEI-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1 1813069283 WNOFKSCTQCAIJN-ZLGUVYLKSA-N 443.504 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1813070488 HWJNXLVRSVAXGH-DNVCBOLYSA-N 449.581 0.477 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1 1814051633 XIFNLRRDWHBMRF-UYAOXDASSA-N 432.289 0.775 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnc1 1815335778 QTJKHTVZSWAHOW-WFASDCNBSA-N 439.306 0.506 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)nn1C 1816426460 GKYINOWIJZFFTK-GOSISDBHSA-N 436.281 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(=O)C2CC2)[nH]n1 1819401742 QJVACRPTATZMFA-OAHLLOKOSA-N 425.449 0.693 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1827144044 FSRUYGJNHKNXNR-LJQANCHMSA-N 440.309 0.534 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)C1(O)CCC1 1829743444 JTFSKOKMCSAECU-WWGRRREGSA-N 437.306 0.684 50 20 ICGD COc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc(F)c1F 1830732837 BONMDRQFLXVOBW-IFXJQAMLSA-N 448.850 0.643 50 20 ICGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)c1ccco1 1832659484 SXBFCDXPFAKVPV-QGZVFWFLSA-N 429.267 0.704 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793458 LLBZQYDLFZUFAS-CRAIPNDOSA-N 443.888 0.655 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833307841 AHOGEIIAWPFEPS-MAUKXSAKSA-N 425.961 0.691 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1833335388 OOYJKXDVPJSIQT-MAUKXSAKSA-N 428.848 0.644 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536287 QIKQVMPPTYICBG-IAQYHMDHSA-N 433.328 0.782 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836843 GCYVCCGDCRTMFK-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111104 APWSHVBHPUWCCN-LEWSCRJBSA-N 447.964 0.895 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840031639 XWQOPJMQUAMINQ-SJKOYZFVSA-N 445.314 0.594 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189594 AHZMOSMAEQKSGH-QGZVFWFLSA-N 433.292 0.375 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189674 GAOLWQGUQDKYNX-QGZVFWFLSA-N 446.266 0.742 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840343516 LQCBSMUAUMOYGS-BJEUKDNBSA-N 431.262 0.570 50 20 ICGD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1C(F)(F)F 1843013747 IDWIZTZUGMJXOK-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014571 ACQPRXARIHDGNT-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563818 LXZZJBFBARPXNR-MOMPZSSISA-N 445.944 0.548 50 20 ICGD O=C(NNC(=O)C1CC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 15794368 KKFRTAUAJNBJGL-UHFFFAOYSA-N 432.296 0.641 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2[N+](=O)[O-])CC1 728852677 NTKWHEWWKOYWCV-UHFFFAOYSA-N 426.433 0.662 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 731358057 BFDOKGCEAYVUMX-UHFFFAOYSA-N 436.332 0.878 50 20 ICGD CN(C)Cc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735118558 WOFOLEQUMQOOAD-UHFFFAOYSA-N 432.550 0.836 50 20 ICGD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744402345 NIZVKRHLGPYJQH-XLIONFOSSA-N 440.548 0.632 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 744447030 RZSYDHKTMAQXKW-KUGGDMIFSA-N 442.563 0.370 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 744817540 TXOFSQJZHPJMSY-LBPRGKRZSA-N 433.417 0.864 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745445097 VHUWLSOUZHRCNO-YUHPLZMDSA-N 449.847 0.195 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C 745976738 LEETYQNDIOIXRW-UHFFFAOYSA-N 426.472 0.808 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1NS(=O)(=O)C(F)(F)F 747349610 GEEDVSSNVQWPIM-JTQLQIEISA-N 443.425 0.452 50 20 ICGD Cc1nc(Cl)cc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 748333147 CNPHIZKKVHPDBH-UHFFFAOYSA-N 427.650 0.788 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCC1 749838468 OXJWYWZUQOKBAI-UHFFFAOYSA-N 443.547 0.590 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](CCO)CC(C)C)cc1 754375642 OKQRMRCIXFQIQX-INIZCTEOSA-N 428.555 0.991 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 754674775 IANVGPHCRKSTHZ-JQHSSLGASA-N 436.534 0.904 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 755248227 MMPRGLZTDPEPKT-SNVBAGLBSA-N 448.427 0.636 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)c1Br 760158979 NJPQXXQHBNDCTM-JTQLQIEISA-N 427.280 0.831 50 20 ICGD COC(=O)c1cn([C@@H]2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)C2)nn1 760656630 MMBAZSPGVYWAAD-SECBINFHSA-N 426.231 0.457 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccnc1-n1cncn1 763683147 UNHXCLDADYZISP-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 763746444 VSHCFULOTIBFDW-UHFFFAOYSA-N 431.474 0.024 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1F 763806903 HYITZUBINDUOOK-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1 763810932 DSNKYVJKSXTTGI-UHFFFAOYSA-N 434.474 0.840 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764004021 KNRLGDQMHINBCN-UHFFFAOYSA-N 442.428 0.325 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n[nH]1 764106817 URCOZCPMHFGPRZ-UHFFFAOYSA-N 440.382 0.973 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 764391943 ABDHBMAUBBKJQU-UHFFFAOYSA-N 427.446 0.549 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCSC3)CC2)cc1 765733720 QRUDAPFZAIQCPX-OAHLLOKOSA-N 426.564 0.202 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 766019639 UJQOUNOFILMHKT-UWVGGRQHSA-N 442.498 0.797 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCN(CC(=O)NNC(=O)c3ccccc3)CC2)cc1 767093713 NLJFWNNFEHBIFX-UHFFFAOYSA-N 446.529 0.853 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)cc1C 769834350 CIGUINQRTOTMNL-UHFFFAOYSA-N 426.476 0.279 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771603580 BSDMCZZUYKTBEE-UHFFFAOYSA-N 442.837 0.888 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 772041062 GNVBAYPLYLFYTE-CABCVRRESA-N 425.507 0.885 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 772967798 BGSOJPLIGFHFFE-SNVBAGLBSA-N 431.836 0.514 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCOC[C@@H]2OCCOC)nc1 777275191 OGEIOMBIXVAMFY-CVEARBPZSA-N 445.542 0.559 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777777913 SNAHWSOOYOWNPA-LBPRGKRZSA-N 446.323 0.627 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NN(C)C(N)=O 778417247 QKPYSJJUXRHDSB-LLVKDONJSA-N 439.357 0.891 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)n(C)c1 778913875 GNZOOKSOFFFFJT-UHFFFAOYSA-N 442.881 0.547 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncncc1Cl 781824316 CZCTWARTDWQMOO-ZDUSSCGKSA-N 447.926 0.355 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004582 YJGKZJGXFAKWMY-UHFFFAOYSA-N 434.430 0.059 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1C 784215878 FERDMPFBVNVOAB-UHFFFAOYSA-N 435.462 0.334 50 20 ICGD Cn1c(CC(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)nc2ccccc21 784293184 BYQVJPGRZCWRHM-CVEARBPZSA-N 425.489 0.704 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNc1ccc(Br)cc1C(F)(F)F)S(N)(=O)=O 784770687 PXDGGNFFDSBCOM-LURJTMIESA-N 447.233 0.704 50 20 ICGD COCCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)CC1 790444551 INYBDODPUDOIGD-XSFVSMFZSA-N 431.537 0.565 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccnn1-c1ccc(Br)cn1 790584139 QBORCQUNWPGOKJ-SECBINFHSA-N 443.283 0.617 50 20 ICGD CN(C)N(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 792855746 SPSZKQLAIPSADF-OAHLLOKOSA-N 441.531 0.864 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CCC1 793681710 JTBZTZQASKTHQQ-UHFFFAOYSA-N 442.969 0.572 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 794598891 OMPUMIBIRHJPLI-UHFFFAOYSA-N 426.382 0.970 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 797534968 IOMBDJHCEJFRPS-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nc1 797653715 HVIOBGGMDXELSC-UHFFFAOYSA-N 445.461 0.690 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Br)cc1 801997478 LHJCBZUUHJFHRL-CYBMUJFWSA-N 426.271 0.729 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806976639 JKEHMKTXNWGBAA-QMMMGPOBSA-N 439.824 0.505 50 20 ICGD C[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807504448 ARHJMYMIDGOPKX-HUUCEWRRSA-N 426.543 0.316 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 812733078 HCKZENPVSDIMID-UHFFFAOYSA-N 426.520 0.701 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814539440 WUAIHFXWVAUBDM-NSHDSACASA-N 449.493 0.143 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691381 OLBCNPFWGKLEPQ-CQSZACIVSA-N 442.476 0.511 50 20 ICGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815692872 DSLHWCFJIJGFHP-SEIPJRMCSA-N 426.433 0.203 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 815751497 BSXHIJWJIGUPJX-UHFFFAOYSA-N 449.464 0.444 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 815751742 MZFFESTXPOHVGK-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 914445344 VXXQKPNFVLSZAV-WDEREUQCSA-N 444.307 0.384 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 915686450 YYYAHTSHMWTENK-QWHCGFSZSA-N 447.435 0.636 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 915789171 VVTULAAVUQMGEV-ZDUSSCGKSA-N 437.449 0.922 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNc1ccc(C#N)cn1 916520390 HREGIEGBVUKWTE-UHFFFAOYSA-N 430.494 0.611 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cnc2c1 918192656 UVQUTKMUVWNUPD-UHFFFAOYSA-N 434.500 0.976 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 1115811714 HPHVLSWXBANBKM-UHFFFAOYSA-N 435.458 0.368 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778015658 UBSWIVNAULUYOT-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1779032795 YTOWRMMTEKWMGL-KRWDZBQOSA-N 441.410 0.471 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1779032839 XREKBSUWSXCZIA-LJQANCHMSA-N 449.418 0.034 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779734871 LFBIOLXMYHTMEO-LJQANCHMSA-N 425.436 0.176 50 20 ICGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780235694 DOTONSYJEJMTAT-UGSOOPFHSA-N 441.824 0.367 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780704892 XEUHPIXMTZVLJV-RZQQEMMASA-N 437.928 0.830 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1782864074 GDXXVXIZDRBFCV-GYNNGBBESA-N 443.414 0.388 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1783882176 WBMIGGHJFJARDW-UZLBHIALSA-N 433.896 0.965 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783967500 VCHUETHOIIGCGB-AICCOOGYSA-N 447.374 0.705 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784207536 YDXSWPKVMZEJDY-HOYKHHGWSA-N 436.317 0.689 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740796 LMTRMIURHJWPHI-SWLSCSKDSA-N 425.345 0.282 50 20 ICGD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1C(F)(F)F 1785527813 BMZVJRMGNCIXRV-BQUFFADESA-N 438.834 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc(O)nc(O)c1 1787295295 CYTIGCNVNDZMFN-GEEFMHANSA-N 432.246 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ccnn4c3)[C@H]2C1 1790444423 VGYXWNZVSUGUGA-WDSOQIARSA-N 442.520 0.301 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)n(C)n1 1791057721 WHOWSJFUHMAMEA-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCCC1)c1cccc(B(O)O)c1 1794057009 FSYZFMFAJFZTDF-REPLKXPHSA-N 427.310 0.021 50 20 ICGD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795209864 QUXMRPIAHHMLDB-FQLMCAECSA-N 433.933 0.745 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739273 YJCFKMWHMJWLIV-LAVAIGHBSA-N 437.305 0.070 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C)c1 1795739937 SPBHVICWRIZORH-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)cc1 1795851487 CCEGBTMOUOIPBS-IVSAIRAKSA-N 428.938 0.871 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440090 DEOLQFWJXPKTCM-ZYCKUDCDSA-N 432.525 0.083 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)c1ccc(B(O)O)cc1 1798494121 BTSYUBSLYZCFAX-IYXXYTSJSA-N 429.282 0.147 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803146416 ATTXXGWCOLXSGQ-QOKNQOGYSA-N 433.896 0.816 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnc1 1805462853 ITGSJNNPHHADAA-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cnn1C 1805925352 VPNGJNSFLHDYLW-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1806135278 CLGZMWKDBBDFPD-IERDGZPVSA-N 441.488 0.727 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)no1 1810976347 BRSFTOPRKVKPKK-BEFAXECRSA-N 436.233 0.088 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1811000168 SDZIERBHJWMTNY-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813072024 YNJVKCQIHVABKX-IERDGZPVSA-N 443.508 0.395 50 20 ICGD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354738 RCBAXJPDJICERS-LBPRGKRZSA-N 443.319 0.522 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667478 ZZJQFFMYOZZCCV-KOLCDFICSA-N 441.286 0.737 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817288223 ZHQNWXKNVQTBHA-OAHLLOKOSA-N 438.253 0.588 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477375 WMSFSUUBVYBPGT-GOSISDBHSA-N 436.281 0.601 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1CCC(O)CC1 1822546752 OEDACSQNFSUIJZ-YVNUBYTISA-N 440.309 0.947 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178819 LCGPXJJQHMWRFT-VNQPRFMTSA-N 437.990 0.534 50 20 ICGD CCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080707 UREMCYUKDCIOQT-LBPRGKRZSA-N 433.538 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(=O)oc1)CC2 1826080772 XQCVEBYUIAHPGU-GFCCVEGCSA-N 433.490 0.695 50 20 ICGD Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)c1 1827053025 SWPWYOPQFJWJBN-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD CC(C)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054848 MYTKBXLSVHQOMM-NRFANRHFSA-N 429.370 0.988 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830275761 ZTTXHNNXJSDDHF-VQIMIIECSA-N 447.315 0.775 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830533428 NJGGKUWPEQMRHM-IYOUNJFTSA-N 448.358 0.389 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719757 JQLKXCXTKFWLTP-PXNSSMCTSA-N 427.929 0.620 50 20 ICGD Cc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830723071 KYPUPJAQTRFEFC-PXNSSMCTSA-N 426.897 0.430 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831645559 CFEAUFQUMFYDBI-MLGOLLRUSA-N 426.844 0.960 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171200 VUMKMNYNBCYZJR-CXAGYDPISA-N 427.299 0.259 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833619846 IUZAKNDRWXZYDW-APWZRJJASA-N 437.859 0.872 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833767891 GQIBGQVQUXSBBT-WMLDXEAASA-N 446.273 0.851 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1834823348 PGWAJHOKTSFRDA-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD O=C(Cc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836191313 JQDMQVQHYFUBNG-WBVHZDCISA-N 430.274 0.771 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712430 QFJHDXJLLZTZFT-IBGZPJMESA-N 438.557 0.407 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324481 TXPRMWLCIPWUIP-YJYMSZOUSA-N 439.900 0.053 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838381782 MEPVZTHAURCFDA-LLVKDONJSA-N 429.315 0.644 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839175294 ZYXOAJKHKBGAHK-FQEVSTJZSA-N 442.585 0.804 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)s1 1839198794 BQKCYRHNVNZESD-HZMBPMFUSA-N 437.291 0.486 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)c2N1 1839572994 DPTVYBQMKXCTAM-LPHOPBHVSA-N 425.844 0.786 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840151858 PMWCZDXLBRKGGB-YWZLYKJASA-N 440.928 0.612 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840152452 IYCNIUJXCDGGHP-DJJJIMSYSA-N 437.884 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1840184653 ZXLVNONDSGKRTQ-IBGZPJMESA-N 442.900 0.376 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447870 JRWOGVIPWQYCBW-IRXDYDNUSA-N 434.324 0.361 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c(C)c1 1846386485 RDISAPHGTVMHKL-UHFFFAOYSA-N 430.505 0.972 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@H](NC(N)=O)c1cccs1 10291974 PAANHHZWDHHEMQ-NSHDSACASA-N 438.535 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 28634552 DWSGFZTWCBDRMH-UHFFFAOYSA-N 441.469 0.747 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccc(O)cc3O)CC2)cc1 252679607 OYIQJSBBWDOFIO-UHFFFAOYSA-N 432.502 0.863 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 725872008 ABAVEOQUSNWZDK-NSHDSACASA-N 439.519 0.941 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 726281752 CNWLGSYNODLAEJ-NRFANRHFSA-N 441.444 0.903 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 728209419 CUNSMZHMSDWQSC-UHFFFAOYSA-N 427.508 0.463 50 20 ICGD O=C(CCn1cnc2sccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847670 KISGGVMGJAOJOF-UHFFFAOYSA-N 427.490 0.702 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 728944472 CXNHXGBAFQORPV-UHFFFAOYSA-N 443.485 0.723 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)N2CCCC2)CC1)C1CCN(c2ncccn2)CC1 728960258 XUWSDNSMNBHGKV-UHFFFAOYSA-N 430.513 0.267 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 729507902 LPUZXJUUFVNGTD-UHFFFAOYSA-N 426.477 0.149 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O 729617740 GGYAYEUEFABTAW-LSDHHAIUSA-N 428.493 0.785 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 729622787 ASDSYDAOZRTWLZ-JSGCOSHPSA-N 426.543 0.341 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 730825887 FMWMPVMUOHUNPT-UHFFFAOYSA-N 428.493 0.709 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)COc2ccccc2O)ccc1OC(F)F 730836686 VALYSLVKPMEXRI-UHFFFAOYSA-N 439.371 0.958 50 20 ICGD CCOC(=O)/C(C#N)=C\NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730944633 VCAITKNIOGIKOB-PEZBUJJGSA-N 436.490 0.231 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(F)(F)C(F)(F)C(=O)NNC(=O)CC(F)(F)F 743317035 BISRIASNJFAGQD-UHFFFAOYSA-N 438.178 0.457 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1C 745882910 KHUHMTWBDFDOML-OAHLLOKOSA-N 427.465 0.501 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nnn(-c2ccccc2)c1C 747610193 ABRXAWSZUAGIMI-UHFFFAOYSA-N 428.478 0.001 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 749352850 KNKQTKKXMPPYTQ-UHFFFAOYSA-N 427.571 0.110 50 20 ICGD CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 750662787 NMSFUZDANHLCLT-KRWDZBQOSA-N 430.553 0.929 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c1C 753840815 OIHFVZQMJMOFAK-UHFFFAOYSA-N 438.238 0.975 50 20 ICGD COC(=O)Nc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C(F)(F)F)c1 758047897 ONNWRSSHPOPHPB-ZETCQYMHSA-N 426.373 0.582 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c2ccccc2c1=O 760203440 LPWMOLLWCLCEBG-WFASDCNBSA-N 430.465 0.174 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCO1 760967542 AVQYTAGHHBOARY-RHSMWYFYSA-N 431.493 0.933 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 763527141 GNYMGDYTYOMMJS-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C 763663230 OVEKIIFVQAPMOG-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1C 763666953 NFQOZWUAAXJGOA-UHFFFAOYSA-N 448.501 0.733 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 763839212 FXEKSBWHMUSPKR-UHFFFAOYSA-N 430.314 0.715 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 763993914 SQRPFWXZGZHAMN-UHFFFAOYSA-N 435.506 0.643 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1C(=O)N(C)C 764004757 UAKHPFPKWOTHKE-UHFFFAOYSA-N 426.429 0.868 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 764046894 PBGRSHZRHLEVHU-UHFFFAOYSA-N 440.481 0.704 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1 764115421 QBLKSFMIAYWYPS-SNVBAGLBSA-N 438.428 0.943 50 20 ICGD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229915 DWOFGSLRWCGBEC-NSHDSACASA-N 441.510 0.003 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 764350703 IJFRXUJWDRJSNW-UHFFFAOYSA-N 434.391 0.992 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 764386208 UALDRVMZQUNNBE-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc(Br)ccc1O 767150470 YKNPZNYQALEBIW-UHFFFAOYSA-N 445.270 0.557 50 20 ICGD C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 771433541 LBWIKEZOEYVHFY-GJZGRUSLSA-N 440.522 0.467 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)n1 773481150 PWVINKOKVISVNC-UHFFFAOYSA-N 425.493 0.492 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775705010 XIWSLORUXUONDE-ZDUSSCGKSA-N 447.473 0.998 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 780971215 LHCCJKOTOXIEOG-UHFFFAOYSA-N 430.483 0.544 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 782538113 RXDUJZHNTZIPPX-UHFFFAOYSA-N 434.474 0.852 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782895252 YIYFMJUEQPADJB-UHFFFAOYSA-N 438.444 0.758 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783263854 LVKUMDYDYGCEMM-UHFFFAOYSA-N 435.462 0.637 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 787950240 SJRPNPBRQCVCMP-AWEZNQCLSA-N 447.517 0.641 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2C1 789734561 DBERLPUXFYXVEW-NXEZZACHSA-N 431.540 0.072 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 789734874 IISMZGYUFKCRIE-UHFFFAOYSA-N 433.465 0.596 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCCOC1 792841557 AUABPSMBWMMUIQ-QGZVFWFLSA-N 439.534 0.604 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 804955776 RSBLFCKGBUYUSK-HIFRSBDPSA-N 447.452 0.069 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 805767409 IQRSSUAOZBAMQN-LBPRGKRZSA-N 440.400 0.224 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CCN(CC(F)F)CC2)cc1 806343570 IVGBKGWJNUFURS-UHFFFAOYSA-N 432.493 0.740 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1=O 807238938 QINWAQPJLHPTBF-NRFANRHFSA-N 442.476 0.364 50 20 ICGD Cc1nnc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)o1 813364311 NCLQJUOFWCXZTD-UHFFFAOYSA-N 429.458 0.860 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2c1=O 823752607 NERTVWAMMVMOCY-LUVWLHFXSA-N 449.467 0.546 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(F)c1 919957469 MOCQNYWEIJJEHT-UHFFFAOYSA-N 445.450 0.592 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)n1 1317710318 JOBKYVLOPYERHQ-UHFFFAOYSA-N 425.488 0.549 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1779032730 XCUPKTNZUZIOIF-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545496 SMUMJTPFMAFMOI-SIXWZSSISA-N 445.589 0.416 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780120352 ZLKWMOMYAPNFPD-WPKBUWHJSA-N 441.326 0.928 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780641838 FRFYTWSPXPRZHZ-LXGFNABISA-N 445.004 0.390 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1781227886 FRBFBKQWLPCFCV-QZTJIDSGSA-N 444.319 0.306 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(F)c1 1781492317 LKBSBHGPXCJTOI-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213225 FUDFGSXMLDZDBP-CSODHUTKSA-N 439.557 0.674 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1782736894 ACCMWLFMEWAYTO-YEOLMYPVSA-N 429.502 0.004 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1783876790 AOHQOINURUZRER-VBKZILBWSA-N 437.880 0.715 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933451 JSVVUFQKGKLYPG-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784084501 VRGITTQEEJYUAO-YTFOTSKYSA-N 433.933 0.479 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1786407828 XJBYOFSXBHLUBK-KKUMJFAQSA-N 430.343 0.764 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(Cl)nc2n[nH]cc12 1787234548 HXTDZXXECUQSCD-HBEIAFGSSA-N 442.303 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1787508243 SBGXFRNEGJHYOE-KHJOHRTRSA-N 444.319 0.904 50 20 ICGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1789556506 LCERIJWGJCIOTI-VDGAXYAQSA-N 437.500 0.901 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nccn34)C[C@@H]21 1791293688 AIJSTODQPCKRGM-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795583345 XPNKAPNPWJPCOA-XVIXHAIJSA-N 436.912 0.353 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 1796439550 KGQBTXVRMAJWRR-ZZGVNVQHSA-N 427.505 0.756 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n(-c2ccccc2)n1 1796472861 PHQRXSJNUBWEDU-QXGSTGNESA-N 432.908 0.984 50 20 ICGD O=C(Cc1cc(F)ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801973628 GDNHVVXLAZKEAY-VPTLXERWSA-N 444.243 0.091 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncc(F)c1 1805845354 LCWVFBIEZOQANY-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807375251 NONJJEKKADRFKN-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812387567 OVBQQCMXWKREBB-ZBFHGGJFSA-N 438.912 0.895 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@]2(C)CCCN2)[C@H]1c1cccnc1 1813074368 YCXLOJAUIXRVDQ-PIPMEXSNSA-N 430.553 0.603 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nc1)CC2)c1ccc(B(O)O)cc1 1815343685 IVZVPAOQLFFGPC-CQSZACIVSA-N 438.274 0.463 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2 1819472864 LTGYJXLXSZPJFO-PWCHPLFNSA-N 425.294 0.923 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)no1 1822410653 NNHFXFAXNVJRBC-CQSZACIVSA-N 432.485 0.709 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055956 PJYIMIVTLHRVJM-DYESRHJHSA-N 426.322 0.638 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1833262209 JQYUBPHZFUFBAP-XJKSGUPXSA-N 443.386 0.868 50 20 ICGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cc1O 1833409835 NYILHPMZFGPVOI-SJORKVTESA-N 435.308 0.432 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833865307 RLRSBNUEPWXPCO-IBGZPJMESA-N 440.573 0.350 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)cco3)CC2)CC1 1834345213 QLEZWCNIANQMSL-UHFFFAOYSA-N 447.536 0.198 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399934 DFVOYFSYXBZCCW-GHTZIAJQSA-N 445.004 0.488 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836889732 PBRZLYVKGYDBMA-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1837658204 HHWBRQIWESXUCA-KXBFYZLASA-N 444.891 0.278 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839533 MGLCYWLETQTFGB-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839144764 KFZGCMNOBGJEBT-BEFAXECRSA-N 428.917 0.617 50 20 ICGD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839635492 VZODWCIJPOPELA-ABSDTBQOSA-N 438.887 0.743 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1839779736 MOLYVLLSXXHEDR-KBXCAEBGSA-N 436.958 0.285 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1839964353 PAHRPWCCCBTHDV-BLLLJJGKSA-N 430.303 0.357 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840030750 VOUWELZNBYERKR-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840036062 DCFUMPMWQQXXPB-DYVFJYSZSA-N 429.315 0.202 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036094 DYHILYCFIHENJB-IYOUNJFTSA-N 443.342 0.992 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840154779 GMAZKKIUOQLDRB-BEFAXECRSA-N 432.901 0.206 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840155384 ZUEVOKXIDKLRKY-OXJNMPFZSA-N 439.896 0.109 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185498 RUCUWEMZKQRMFV-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839641 XYJZEYXPVNSIBP-XGCIQTSOSA-N 433.299 0.647 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924089 UDESHWXSYQXMCG-STQMWFEESA-N 430.933 0.833 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809829 VRSRZMCOHMYTQJ-LBPRGKRZSA-N 444.879 0.642 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1844693143 BAWOAWKSRAWVSO-AWEZNQCLSA-N 444.444 0.863 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845871203 AKVJDALGSNVAFW-QGRTWZNFSA-N 446.454 0.726 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2cccc(C)c2)cc1 17198632 YILNVUYUGZGHBM-UHFFFAOYSA-N 448.501 0.848 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CCc3ccccc3O)C2=O)cc1 730034233 DFFMGYRKZPITEC-QFIPXVFZSA-N 440.456 0.948 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCCN1CCCCC1=O 730129579 VYPFPSUVYVTRHD-UHFFFAOYSA-N 430.553 0.932 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 732065855 YTACAQCQEDRYJB-RRFJBIMHSA-N 448.505 0.684 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C3CCC3)cc(-c3ccc4c(c3)OCO4)nc21 733954187 MCSIOEVLDUMIGH-UHFFFAOYSA-N 437.412 0.991 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 740851060 NPAYARQPDHFXBH-UHFFFAOYSA-N 430.440 0.612 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cn1 743251766 WGIDTBLOVUUATN-CYBMUJFWSA-N 432.458 0.986 50 20 ICGD Cc1ccc2ncc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)c(=O)n2c1 744620668 JOEWOWSTKTYPMS-UHFFFAOYSA-N 443.485 0.781 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 749450296 RJXTWLFCQHGGOX-KRWDZBQOSA-N 447.451 0.316 50 20 ICGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1cc(F)ccc1Br 753698510 XBIMWRRUUXGNFI-SNVBAGLBSA-N 437.291 0.956 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 756412404 SWAWENJBHXMIPK-ZETCQYMHSA-N 431.368 0.451 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756547404 CGGGIWFMXDUBRA-UHFFFAOYSA-N 448.505 0.638 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(C(=O)NC2CC2)cc1 757096757 VAHRNTARBIFPIT-UHFFFAOYSA-N 449.511 0.798 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 758145286 YRZCKBPCACFEFM-JRPNMDOOSA-N 431.873 0.581 50 20 ICGD CCN1CCN(Cc2ccccc2CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 758683163 GTAODDLMBQVPMW-UHFFFAOYSA-N 439.520 0.688 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc2ccccc2cc1O 763518034 MBHNFBLWXBHHGX-UHFFFAOYSA-N 425.401 0.855 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1-n1cnnn1 763629690 GPJIWQHIDYYXTR-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)c2ccccc2c1=O 763785651 KRPBIXMRMKIENR-INIZCTEOSA-N 449.467 0.930 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)c2)n1C 763806875 GQIWNHWMPFWFTL-UHFFFAOYSA-N 433.428 0.827 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763860596 JYIIHQFHORVQDS-UHFFFAOYSA-N 449.467 0.969 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(OCc3nc(C)no3)cc2)n1 763881773 PSZHBAYTBUIBQL-UHFFFAOYSA-N 427.421 0.556 50 20 ICGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)c2=O)cc1 763892645 GNRGKXJZPYWLPS-UHFFFAOYSA-N 436.472 0.804 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 763921160 RGYYYFMDVRZMTG-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCCCC1 763980842 NYTGYTIDUXEZNO-UHFFFAOYSA-N 433.490 0.897 50 20 ICGD Cc1ccccc1COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764228641 ZKBAWDPZLLNMDH-CQSZACIVSA-N 448.501 0.598 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccccn1 764264938 VQZBDLODXBECBE-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 764304239 XAAQSSUWNULMIJ-UHFFFAOYSA-N 439.516 0.737 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)o1 764372327 TWWOYZNOGFVUAI-KQWNVCNZSA-N 447.473 0.801 50 20 ICGD Cc1nc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)s1 764462167 FOZXHHUUYJVYTL-UHFFFAOYSA-N 438.531 0.785 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc3nonc23)c1 765032528 WUZGPDLCSBGEAV-UHFFFAOYSA-N 425.448 0.096 50 20 ICGD O=C(Cc1ccc(O)cc1)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 765569109 MAFRNYXVYYWELH-UHFFFAOYSA-N 448.501 0.215 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 765737098 VZYFDXRJKFULKL-LJQANCHMSA-N 436.468 0.374 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNC(=O)Cc3ccc(F)cc3)ccc21 769469485 ZHQMTXFFTCDLAS-UHFFFAOYSA-N 428.424 0.520 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 770338938 BWKJOTUGEVVIHP-UHFFFAOYSA-N 434.482 0.582 50 20 ICGD COC(=O)C1=NOC2(CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)CC2)C1 771778762 HQUCQBGPUCKDPU-UHFFFAOYSA-N 434.449 0.249 50 20 ICGD O=C(NNC(=O)C1(O)CCOCC1)c1ccccc1NS(=O)(=O)c1cccs1 771930090 LXLQPHJRNIWVOL-UHFFFAOYSA-N 425.488 0.851 50 20 ICGD O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 773767415 LGOAMBJNWIUQKE-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD CCc1noc(C2CCC(=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 778543979 GWNSNQFLSHEODD-UHFFFAOYSA-N 428.453 0.209 50 20 ICGD O=C(NCC1CCN(CC(F)(F)F)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 780631989 DZCYFSXWBWCANL-UHFFFAOYSA-N 426.403 0.881 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 784915080 FWAXJPQHQNPZQT-UHFFFAOYSA-N 441.510 0.501 50 20 ICGD COCCOCc1cccc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 785022193 DBOZNNZSLMGRBE-UHFFFAOYSA-N 432.389 0.863 50 20 ICGD COC(=O)c1scc(C)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 785481939 PZZPCTKWXAVNBO-UHFFFAOYSA-N 446.532 0.760 50 20 ICGD COc1ccnc(NNC(=O)Cc2c(C(=O)NNc3nccc(OC)n3)c(C)cn2C)n1 786930488 YLAOOEHGAXZDDK-UHFFFAOYSA-N 441.452 0.373 50 20 ICGD Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 792268136 MTLXVGXVULVJLD-UHFFFAOYSA-N 444.473 0.521 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)c1cccc(S(N)(=O)=O)c1 792775328 KDZJBOWRHWKMDK-ZDUSSCGKSA-N 449.489 0.652 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCN(S(=O)(=O)NC)CC2)cc1 794781411 POSOSGJSDYYWMS-ZDUSSCGKSA-N 428.511 0.176 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1OC 796488495 DMJTVYSMAFICMQ-OAHLLOKOSA-N 447.492 0.910 50 20 ICGD CCOc1cccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 799914786 ZRTVGCFRZNJIBP-UHFFFAOYSA-N 427.504 0.959 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 800623822 XTHYAVPGUMDKRZ-UHFFFAOYSA-N 445.411 0.835 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c(OC)cc1Cl 802078355 MUMWOHAVGVRRKG-UHFFFAOYSA-N 425.833 0.503 50 20 ICGD CC(C)[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nncn1C 807432536 PARCOJWAJSFOQL-MRXNPFEDSA-N 449.537 0.941 50 20 ICGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 809983222 DUBRPZHDPPOCJC-UHFFFAOYSA-N 437.474 0.694 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 810957037 SHXDTIXLEISZQV-UHFFFAOYSA-N 435.691 0.896 50 20 ICGD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)ccc21 815692994 IQXPNQHNUJAWMU-LBPRGKRZSA-N 438.492 0.811 50 20 ICGD Cc1oc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(N)(=O)=O 819659659 YTVUMLKAJOMWGL-NSHDSACASA-N 430.483 0.644 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1C 914748943 PNKPMKQSLPAONF-UHFFFAOYSA-N 437.474 0.757 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 916561827 GZBSNIOFYNZWTH-UHFFFAOYSA-N 443.416 0.736 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(N2CCOCC2)ccn1 920090976 MVKRYSILYPUOSP-UHFFFAOYSA-N 438.532 0.892 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nc3ncc(Br)cn3n2)cc1C 920210750 LIWBCTABAUSWFH-UHFFFAOYSA-N 432.238 0.903 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1777984243 VSNWDZPMNFSANX-DSZLRUIBSA-N 437.310 0.638 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891377 CUZQRBYFPOMPMI-QMTHXVAHSA-N 445.232 0.953 50 20 ICGD Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)cc1O 1780770774 AMUYRMPUIWBORG-PVXIVEMSSA-N 433.278 0.944 50 20 ICGD CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780802053 MJRCUARMCDREJC-ZWDAVXSWSA-N 445.325 0.295 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780822576 OJAYLPNTQPABOR-JJRVBVJISA-N 428.331 0.966 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781102200 NEBOSMJZLYJUIC-VBQJREDUSA-N 435.338 0.143 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1781233836 NPXHETDKOCRVIV-ZACQAIPSSA-N 425.309 0.668 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1[C@H]2SC=C[C@H]21 1781531118 YYSDKBCBEVZFOI-SXUUSABNSA-N 442.346 0.369 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1781855355 ZMPGFMYYMLPGDG-YJYMSZOUSA-N 433.933 0.924 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)CC1 1785374996 JQSLBIGJUWSEHL-OXJNMPFZSA-N 445.944 0.939 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)CBr)(C1)C2 1792871868 BDTHJWSKVQUJEV-CPBSFBEJSA-N 443.338 0.950 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1OC 1792975068 IMYDKQHEPAYGBX-UIVXKWKOSA-N 440.924 0.826 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006627 TWPZQPXTXMRDJK-DYNIEEOBSA-N 430.259 0.164 50 20 ICGD N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732624 DESUJEANBDSRGC-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1ccc(-n2c(O)nnc2O)cc1 1798599993 YAOPXUQUUOHYRC-ZMJPVWNMSA-N 439.831 0.416 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1N(C)C 1799206236 YFINZAFYMQUNAZ-KPEUIFRASA-N 425.913 0.564 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1800761601 CCEOAAPEUFSUTI-FMSGJZPZSA-N 427.299 0.652 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367596 TUWZOJZCGTUSPV-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376196 XIKCTTZBMKDXDM-OHLDOZIISA-N 449.316 0.649 50 20 ICGD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)C1 1807563315 IYOUZFBMCWXHHZ-CNNODRBYSA-N 444.580 0.802 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1cccnc1)[C@H](F)Cl 1808308609 MFPSGSVDLMIDNQ-XIRDDKMYSA-N 446.932 0.352 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C)[C@H]1c1cccnc1 1808413900 CIEXAVSVCKFXOY-QGJUGNDFSA-N 439.520 0.783 50 20 ICGD COCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299452 QOIVNNICZBESNY-DNVCBOLYSA-N 426.477 0.436 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813073555 JCNPZMYZZROUAY-JTSKRJEESA-N 442.520 1.000 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814709208 PIFFELRNOWXAPA-AWEZNQCLSA-N 447.404 0.860 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@@H](O)CCl 1814876816 ZIPKCZRLKSCCLN-MNOVXSKESA-N 445.954 0.862 50 20 ICGD C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815198313 OHTNXIHRGNHKOD-SUMWQHHRSA-N 439.476 0.752 50 20 ICGD COCCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817047446 VOIWTEHVKVJCBI-KRWDZBQOSA-N 430.270 0.058 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080671 BREUFSCSZAABTL-STQMWFEESA-N 438.554 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1826085143 GVEAPRSJBNLVIW-CYBMUJFWSA-N 449.581 0.710 50 20 ICGD CNC(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1827677045 CPTYVOLBUWKYJC-BIKZULFDSA-N 444.536 0.876 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830233659 CREICYZKTOQXFE-PXNSSMCTSA-N 442.896 0.130 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353922 MOKPPEGRRNQDSS-KSSFIOAISA-N 438.974 0.389 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1830535293 LXGOZLCBZXCDGI-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723493 OHJYOXOTKOJKBI-UZLBHIALSA-N 426.897 0.430 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725787 RTVLATRPXLEFSV-KXBFYZLASA-N 428.917 0.308 50 20 ICGD O=C(c1cnc2ccccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727710 CIGWDHZKOSULSB-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731112 HFYSMQYYDMSHIO-GHTZIAJQSA-N 448.907 0.542 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1OC 1830732868 WJGSSFRHOMBWAW-FOIQADDNSA-N 442.896 0.374 50 20 ICGD CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421147 LLRNPSWKZFSKEE-UHFFFAOYSA-N 438.388 0.388 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)o3)CC2)CC1 1834835430 GFOANCDYQUBXMI-INIZCTEOSA-N 427.933 0.746 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041868 BPQVKBPVNXRODY-SFHVURJKSA-N 427.599 0.994 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926279 INSSYWARCFUIFO-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732826 BHGCPFVFVBDMRT-UGSOOPFHSA-N 439.310 0.987 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839143887 KOIOQFUAGBBDGT-LIRRHRJNSA-N 437.884 0.522 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150333 JPZUYANYUWRERL-QZTJIDSGSA-N 438.352 0.594 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203545 OGDWUWMFMPYPAA-XGERFZHZSA-N 443.273 0.637 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839712412 WUKCMVZGMLWUNR-RDTXWAMCSA-N 443.342 0.679 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840076877 MDUMCHZZUZJMKO-AEFFLSMTSA-N 440.896 0.047 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1 1840401747 BUDCBWSRYHPTPV-QAPCUYQASA-N 443.342 0.994 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840433145 HRWRYUWGXSOOGY-CKEIUWERSA-N 447.305 0.666 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840712333 FZOJAMDVPPPVRU-YWMUFLPLSA-N 435.908 0.983 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841354489 DBTFGQJJQTYDCB-ZIAGYGMSSA-N 431.917 0.425 50 20 ICGD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CN1Cc1cccs1 1847556748 PWZFOLVCQKJTBN-SYAUCNOPSA-N 425.938 0.898 50 20 ICGD Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1F 9890018 CWNHLPSTEDAXAM-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 14057546 WAMBNLKMTYUTDI-UHFFFAOYSA-N 447.517 0.506 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 726382271 NHIKZHFLEFBQCQ-NSHDSACASA-N 443.489 0.436 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1C 726767670 DYQVUSCUFZKXMD-UHFFFAOYSA-N 432.462 0.513 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 727479403 IDONJUJFRYZPCU-IBGZPJMESA-N 441.488 0.648 50 20 ICGD O=C(COC(=O)c1cccc(N2CCOC2=O)c1)NNC(=O)[C@H]1COc2ccccc2O1 728329516 YQOJRHOQSSXYCB-QGZVFWFLSA-N 441.396 0.787 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 728513027 OZOLZHUMUSWNBV-KRWDZBQOSA-N 428.445 0.747 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)c1cnn[nH]1 729456175 UWKMVNAAWSOCGP-UHFFFAOYSA-N 429.256 0.083 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731558420 MGHDXAZXTIGNTB-UHFFFAOYSA-N 448.848 0.835 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 731651808 GTDPXKWUHAVQGU-UHFFFAOYSA-N 434.478 0.937 50 20 ICGD CNc1snc(C)c1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116861 IRXMHSRROMUCAD-UHFFFAOYSA-N 425.540 0.581 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2S1(=O)=O 737629673 SYXVSOJLGDHYOZ-UHFFFAOYSA-N 447.469 0.455 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Br)s1 747906066 KZEXDENAHPYRSX-UHFFFAOYSA-N 428.330 0.616 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)nc2n(C)c1=O 747983352 BSQJYQQLBKERED-UHFFFAOYSA-N 444.455 0.730 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748360107 FXODYSQQXCZIHL-SFHVURJKSA-N 446.485 0.465 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2)nc1 753278834 IHCWUMGLRZMYBL-UHFFFAOYSA-N 441.444 0.862 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 756711526 KFHNIMSTNGHLKY-ZDUSSCGKSA-N 428.511 0.948 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)o1 758016674 MLGHYYRPHAJAEY-UHFFFAOYSA-N 428.405 0.935 50 20 ICGD CCc1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1c(Cl)cccc1Cl 758043032 DCMLREXCPWOCMX-QMMMGPOBSA-N 449.320 0.835 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758535128 MTADJWUTLSEWGD-UHFFFAOYSA-N 446.327 0.421 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 759351042 BGHPSPDOFXTINJ-UHFFFAOYSA-N 429.502 0.804 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 762739467 ZNUJLHVEWJYEGI-VIFPVBQESA-N 443.279 0.720 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572056 LNZDVDJNZKYDCK-LJQANCHMSA-N 440.456 0.758 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 763660070 VYWHUURUBYRGGS-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763804977 YZOPOIAJFOPJEZ-UHFFFAOYSA-N 429.389 0.396 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc2)CCO1 763806275 AOYRSKXNTNQOQB-HNNXBMFYSA-N 437.456 0.948 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763809371 VUNAJQXDXPQBKK-OAHLLOKOSA-N 437.456 0.948 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1=O 763840300 QGQGINWPAATWOU-UHFFFAOYSA-N 441.213 0.452 50 20 ICGD COc1nccnc1NNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 764460889 RVPXYNXLQJDATJ-UHFFFAOYSA-N 434.478 0.095 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765753236 BSCOUVMBLPVUJW-UHFFFAOYSA-N 449.899 0.718 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765758344 JZJKJSKSYMGRCU-UHFFFAOYSA-N 447.923 0.936 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3cccc3)CC2)cc1 766636270 NQAWFPDWOCPFRE-UHFFFAOYSA-N 433.534 0.341 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 769741260 PWCPMCBNJZGBBH-ZDUSSCGKSA-N 436.490 0.959 50 20 ICGD CCONC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 776209986 ATTTTYACEWJIBA-CYBMUJFWSA-N 430.483 0.235 50 20 ICGD O=C(CCS(=O)(=O)C1CCCC1)N1CCN(S(=O)(=O)CBr)CC1 777780006 XKCFUENFLNBLQE-UHFFFAOYSA-N 431.374 0.560 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440370 GGRUZUYDGFAFJF-VXGBXAGGSA-N 425.486 0.405 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cn1C 782888681 XXMCBNHPNUGUPC-UHFFFAOYSA-N 426.433 0.417 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1C(N)=O 782927549 UPBBWDBWUOFBJV-UHFFFAOYSA-N 426.216 0.896 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F 784002953 XSAONBPFRIYGTK-UHFFFAOYSA-N 428.323 0.737 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1C 784212631 CTYUPUZFLVPRGR-UHFFFAOYSA-N 449.489 0.724 50 20 ICGD Cc1c(C(=O)NNc2ccccc2S(N)(=O)=O)nnn1-c1ccc2c(c1)OCCO2 788224706 WSARFCFLYBDVPX-UHFFFAOYSA-N 430.446 0.751 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 794750751 DNOYITLSFYBTIM-UHFFFAOYSA-N 440.416 0.822 50 20 ICGD CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1 797369224 QNTJRZKYGOGMMK-UHFFFAOYSA-N 441.448 0.522 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)cn1 802721774 FJPTZZCVQHJOSN-UHFFFAOYSA-N 437.297 0.209 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 807379912 JAGIFDFXXHGWIM-HNNXBMFYSA-N 438.326 0.928 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)N2CCN(C)CC2)(c2ccccc2)CC1 807382970 WXWTUBDPDNPRKN-UHFFFAOYSA-N 437.566 0.358 50 20 ICGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1nnc(O)c2ccccc12 807540431 UQWHNVOYUBGACE-GFCCVEGCSA-N 428.371 0.543 50 20 ICGD C#CCn1ccnc1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 807945615 FUBDJCWJVTYVHP-UHFFFAOYSA-N 429.502 0.620 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ncc(Cc2ccccc2)s1 815691716 ZAXBOQDNCCXDOW-CYBMUJFWSA-N 425.474 0.674 50 20 ICGD CCn1c(NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc2c1=O 823904506 HFKWYYUNNTXPAN-UHFFFAOYSA-N 427.442 0.704 50 20 ICGD Cn1nc(C(=O)NNC(=O)CSc2nnnn2C2CCCC2)c2ccccc2c1=O 906486646 LGJQCFDKUVAKKW-UHFFFAOYSA-N 428.478 0.588 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 915906178 PLCYNPDXPBKBTC-UHFFFAOYSA-N 428.449 0.522 50 20 ICGD O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916579622 HEQRXTPYGZEYDC-OAHLLOKOSA-N 435.550 0.899 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@H]1CCCO1 919889677 RDZRCHZHKODYGH-ORAMXPTRSA-N 449.533 0.708 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1cccc(CN2C(=O)CNC2=O)c1 920930626 SGKKYFWILQJLGX-UHFFFAOYSA-N 435.400 0.854 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 920930742 SSSJMBLFRDABLK-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cc2)CCN1 1317784582 AAKZQBZNESEKES-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD Cc1cc(C)n2ncc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c2n1 1319303548 RTPYASHTHXIGCO-UHFFFAOYSA-N 435.488 0.565 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)COc3ccccc32)c1 1321432687 GASQRMMIAFYCRV-UHFFFAOYSA-N 432.458 0.460 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1F 1779032264 HXVKHLCILLEDPR-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779295606 UCVSHRGSOOYLBK-INKLHFNDSA-N 449.584 0.802 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1780603411 DVIPSNBCLWPSDA-JURYVKQJSA-N 441.956 0.501 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780912574 ZFRRNIGGKQTKCF-QKLQHJQFSA-N 441.887 0.433 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1781211146 KCSRKORHXMDUQL-KSMMKXTCSA-N 433.933 0.719 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782653705 XVFXYGZDHCFBNN-SBUREZEXSA-N 437.305 0.084 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783345102 XPXDZNYXRXKTGW-SJCJKPOMSA-N 428.283 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783606139 DFCSDERSEDTZCI-UFYCRDLUSA-N 441.532 0.453 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CNc2ccccc21 1786875786 ORVSKNLRLDEHHJ-CJFIXGCPSA-N 449.316 0.169 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506831 PODVHPLBHBTHJS-WVIPKZCGSA-N 443.504 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)Cn3nccn3)cc2)CCC1 1790576515 QFFKRSUKXLIGCO-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791290660 IDXDWGGYDHTWFY-ASHKBJFXSA-N 437.310 0.030 50 20 ICGD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983405 KUHXSPMUOITPQM-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2)c1ccc(B(O)O)cc1 1795736891 PHJNAXFHRQRAFK-PLSULTGPSA-N 434.301 0.373 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)[C@H](F)Cl 1796361663 MNHYEYIFLBSLSE-BZROYUPASA-N 428.848 0.117 50 20 ICGD C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1800551298 RVQSEEFGCYFQQX-GNXNZQSNSA-N 427.383 0.007 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(N(C)C)c1)C2 1800973531 DBRMRUJSTSNEAK-ZDUSMZPESA-N 439.940 0.975 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1800977001 NPXSAZFBMJJEET-KYHPRHEASA-N 433.896 0.724 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cccc(F)c12)c1cccc(B(O)O)c1 1801127601 QSNKIJCLIPFUQT-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802248413 SINTZCPRWBIBCH-ILOCAZANSA-N 434.537 0.753 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804346220 ITOLHJBRMGHZTQ-VKJFTORMSA-N 447.568 0.537 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1805658671 JKTQJCKZXDBJLD-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374821 OCELJCGKSYXAGO-DLVCFXQMSA-N 437.305 0.696 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809974943 IYZKYBPZYPZSTM-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2 1814927329 BDOBDIPYSXDROI-HQJQHLMTSA-N 433.307 0.586 50 20 ICGD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341526 ZCAKJTSLUAJVIS-GFCCVEGCSA-N 443.319 0.522 50 20 ICGD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354736 RCBAXJPDJICERS-GFCCVEGCSA-N 443.319 0.522 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cncnc2)n[nH]1 1815974990 IDMHKULJVAGIQW-INIZCTEOSA-N 428.497 0.808 50 20 ICGD CCc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n[nH]1 1817702930 JRCVPRWGONWASD-SFHVURJKSA-N 436.281 0.995 50 20 ICGD COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795583 OTQSEFMOQZBGEN-NSHDSACASA-N 448.505 0.030 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1830245744 MLPSKIUIYQOLFV-OALUTQOASA-N 441.016 0.986 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733987 XNEGPTWHINMBFM-UGSOOPFHSA-N 434.823 0.340 50 20 ICGD O=C(CCc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737159 DGVDJTORIHXGJX-XLIONFOSSA-N 428.888 0.814 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242207 SYRYSPSYDGYEAF-CXAGYDPISA-N 429.315 0.521 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1834823061 HCDFKQVQSSMAGQ-INIZCTEOSA-N 447.717 0.985 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c1 1836193837 ZEAGXAJEEATMEH-MAUKXSAKSA-N 443.342 0.679 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1 1836360919 WHULYTVNGOJVSG-UZLBHIALSA-N 425.913 0.968 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1)N1CCN(C)CC1 1836372399 DPTRVVSNKORUHD-HNNXBMFYSA-N 448.439 0.998 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837051810 KHNSBAKLAANEPJ-ACJLOTCBSA-N 442.925 0.720 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)n(C)n1 1838046320 DPHXZYFCTXKOIO-HNAYVOBHSA-N 428.917 0.306 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431663 YSUUHHREFNLWDM-BEFAXECRSA-N 437.884 0.053 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(OC)c1 1838878809 RJOAYHKLLZAVNV-JXFKEZNVSA-N 442.896 0.374 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151945 JATNRUAPKIYBIP-FSPWUOQZSA-N 438.352 0.546 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1840150456 MMFUEYIEQJATHU-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188508 NIXWTGJOMYSFLC-YVEFUNNKSA-N 432.308 0.537 50 20 ICGD O=C(c1cnc2ncccn12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188565 PQVQFIPLKIFGQT-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938626 DVRVVUXBZYOVME-GOSISDBHSA-N 432.359 0.714 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1844333070 JPYAKMWLLZHHKR-JQWIXIFHSA-N 428.262 0.489 50 20 ICGD Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848095781 OKPGJKJQLHQGCU-AVGNSLFASA-N 426.905 0.763 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)cn1 1848099459 KZVOUENVEZDDMA-UBHSHLNASA-N 439.900 0.717 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 17329718 PEMGODOLWTTYHU-FQEVSTJZSA-N 441.400 0.832 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 26772722 ZLDQXZIMXYRYPI-KRWDZBQOSA-N 431.470 0.545 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 27142373 ZKJDPZDFHKTYIM-UHFFFAOYSA-N 440.485 0.998 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 46903401 MUHKAYUYZARSQY-UHFFFAOYSA-N 435.481 0.547 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 728179138 OXCHLRKXGMOKEU-NSHDSACASA-N 444.307 0.537 50 20 ICGD O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cnn[nH]1 729456329 CTCXCZPVBOBOJR-UHFFFAOYSA-N 444.429 0.452 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731811419 UXODOXGGHBKVMM-UHFFFAOYSA-N 428.430 0.110 50 20 ICGD O=C(COC(=O)c1ccc(=O)n(-c2ccccc2)n1)NNC(=O)c1cccc([N+](=O)[O-])c1 732322733 FVQOLCWWJKCNFX-UHFFFAOYSA-N 437.368 0.759 50 20 ICGD Cc1ccc2ncc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)n2c1 732323136 PFMANFOQEKAOPO-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 732702884 AYMNNORPOYMQPC-UHFFFAOYSA-N 440.448 0.392 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](N2CCCCC2=O)C1)C1CCN(c2ncccn2)CC1 732824191 IBVBDJNDUWCZCE-KRWDZBQOSA-N 429.525 0.911 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1C(=O)N(C)C 743268270 JABQKMKSKAKSBH-UHFFFAOYSA-N 438.418 0.634 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCn2c(Cc3ccccc3)nnc2C1 743578910 MRTWMTVYKPVBPI-UHFFFAOYSA-N 439.501 0.917 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 743853340 IURPQZNKCNWVHZ-UHFFFAOYSA-N 430.486 0.911 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 744384931 BNUXEJKQTYLGMV-UHFFFAOYSA-N 444.499 0.662 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1 744504145 BAVYWCZFPVQUBS-UHFFFAOYSA-N 430.442 0.231 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 745826384 AAMSBGQWNZWJTG-MRXNPFEDSA-N 440.342 0.800 50 20 ICGD O=C1Nc2c(I)cccc2C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 750931849 BXHOBDREDHSZGJ-SSDOTTSWSA-N 433.227 0.498 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc2nc(N3CCOCC3)sc2c1 755534301 SNXXMYXBIUCEJS-NSHDSACASA-N 439.519 0.720 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 755603665 MKQSLSXRVAYWAO-QGZVFWFLSA-N 442.428 0.972 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 760977886 SFBKFFFWCKGDPB-ZIAGYGMSSA-N 441.554 0.755 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 761064056 SPORYYOAMOEFOT-UHFFFAOYSA-N 433.509 0.492 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1N1CCOCC1 763569716 AWLSJERJNGRRJW-LJQANCHMSA-N 440.456 0.758 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 763569717 AMZOTVDIQRZOKX-MRXNPFEDSA-N 433.384 0.065 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1S(N)(=O)=O 763618624 DRMPVCQONZVHMA-UHFFFAOYSA-N 434.474 0.370 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cn2)C[C@H](C)O1 763682055 WAHBHCXKNYSJFF-KBPBESRZSA-N 445.451 0.999 50 20 ICGD Cc1cc(C)nc(-n2nc(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)cc2C)n1 763778455 KNHIDBJKVVCPRE-UHFFFAOYSA-N 443.489 0.899 50 20 ICGD CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763999461 WZUNJRCAUGGLBP-INIZCTEOSA-N 444.513 0.844 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 764165330 WPNQJEDQEWMLIN-FQEVSTJZSA-N 437.500 0.524 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 764169795 RXKJAJIZSNWTLG-UHFFFAOYSA-N 427.396 0.991 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 764204522 XPTRJSDBWDFOJH-UHFFFAOYSA-N 433.465 0.962 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764242031 AEKRXJGIEARNAG-UHFFFAOYSA-N 448.439 0.479 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1C 764243328 SZQZUDGMDGHBNJ-UHFFFAOYSA-N 443.485 0.644 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2ccc(F)cc2)n1 764426190 UGTPPCDIZFSIEG-CQSZACIVSA-N 433.440 0.810 50 20 ICGD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 764434965 ZTJIAWHIMZHAJR-UHFFFAOYSA-N 433.446 0.986 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765617612 UUMGVWKMMPSYAA-JHNDHUHGSA-N 427.392 0.139 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 766264254 GDBJZOMQYDJNLQ-CHWSQXEVSA-N 428.449 0.816 50 20 ICGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 769301858 JORGRICJGDRJOG-UHFFFAOYSA-N 441.488 0.637 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 771844351 BCWIZEICDAAZFR-CQSZACIVSA-N 425.507 0.885 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NOC1CCCC1 775489589 RRWLYOJLMIKJTN-UHFFFAOYSA-N 440.522 0.845 50 20 ICGD O=C(c1cc(N2CCNC2=O)ccc1F)N1CCN(S(=O)(=O)CBr)CC1 777831469 APPFJULSPMJYEG-UHFFFAOYSA-N 449.302 0.795 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778436483 LTJPYXLBVOKJFO-UHFFFAOYSA-N 444.510 0.888 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)nn1 778442692 BSASPIPDBNUSQD-UHFFFAOYSA-N 440.258 0.711 50 20 ICGD O=C(NN=c1cc[nH]cc1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 782014586 HJPPYOAQPFWXFT-AWEZNQCLSA-N 425.492 0.118 50 20 ICGD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001940 GKWBFMWPMMOUNT-UHFFFAOYSA-N 429.433 0.780 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NN(C)C(=O)OC)CC2=O)cc1 804125406 LBTYOIZMBNLFQI-CYBMUJFWSA-N 426.495 0.799 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C#N)o2)c1 808068233 OYULHPZPHFHYIZ-UHFFFAOYSA-N 426.476 0.805 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033777 LANKXLLFLSUHKH-UHFFFAOYSA-N 449.489 0.986 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1=O 814875276 ZODRGDMPQVGGTH-UHFFFAOYSA-N 447.459 0.135 50 20 ICGD Cn1cc(Br)c(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)n1 815734582 OCIDAZPDQDFAJJ-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD COc1cccc(/C=C(/C(=O)OCC(=O)NNC(=O)c2ccccc2)n2nnnc2C)c1 818160453 VJWFFFDXNXSGAA-PDGQHHTCSA-N 436.428 0.993 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1I 915279585 OWJGUODLPDDMIU-ZETCQYMHSA-N 426.207 0.626 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)c3ccc4c(c3)OCCO4)cn2)CC1 916247063 XSPRPDGCCHZBMI-UHFFFAOYSA-N 426.477 0.749 50 20 ICGD NC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 916483645 KOIRIIMYKCGPJO-UHFFFAOYSA-N 445.501 0.714 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)CC)c2ccccc2c1=O 916516082 CJYWCJUYYQWLRI-UHFFFAOYSA-N 438.510 0.080 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 916830558 GZAUJYWGNAUIOL-UHFFFAOYSA-N 432.458 0.262 50 20 ICGD O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)NNC(=O)[C@H]1COc2ccccc2O1 917318637 WHKWQJDBZXSRNB-IAGOWNOFSA-N 441.396 0.307 50 20 ICGD CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 917981500 IUMJWKZOGGFUFC-WMLDXEAASA-N 433.461 0.556 50 20 ICGD Cc1cc(C)n2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2n1 1318236204 WNOSLOLHJGOUGZ-MRXNPFEDSA-N 425.401 0.490 50 20 ICGD COC(=O)C(=O)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1323020381 OAZGUBAPQFVVNH-UHFFFAOYSA-N 426.495 0.252 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1779031540 TXDLFYMDYCSECO-NRFANRHFSA-N 426.477 0.090 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779280849 HRDBZKALMNUSCZ-XHBSWPGZSA-N 444.834 0.860 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373159 IZFSUQVYZJJGPR-NMZZKHSVSA-N 446.552 0.186 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1781784515 BELWKVOSMHBGNE-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1784645117 HMTBPKRKQTXHFS-MXAVVETBSA-N 432.359 0.912 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785358460 TXWVOGCORWTYRL-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccc(Cl)c1 1786880718 ILCFROQQDSLVNJ-RKOFLFEYSA-N 430.332 0.919 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCCCC3)[C@H]2C1 1788165223 ONUIOSLMRQSNTP-WDSOQIARSA-N 432.301 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 1788610176 HUNDTMADJGNYBE-PJODQICGSA-N 447.879 0.839 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC(C)C)[C@H]2C1 1788696684 FZBANLGWSDAZCW-WVIPKZCGSA-N 447.536 0.914 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1onc2ccccc12 1790403697 GHXXMLNYTOSOKF-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4occc34)C[C@@H]21 1791289415 YLWVQJQUMFNWJF-ZVZYQTTQSA-N 443.504 0.794 50 20 ICGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)nn1C 1792868525 CZDRTWZAYHGKDG-DPYKFYPSSA-N 427.343 0.892 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792980148 MJACZHPNIHPCNV-OJXGSEEGSA-N 427.841 0.412 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1793112611 OEAZDVZCXCVAFL-APNJTCTJSA-N 435.952 0.860 50 20 ICGD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878320 RWQYHXPAUKLGDE-QRJUGERDSA-N 447.960 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1794031490 KWJKIDNTXCCMQR-ZAWLATJESA-N 447.580 0.789 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794036323 ODXUEPFWDCMKHP-JFILPPLUSA-N 441.326 0.508 50 20 ICGD Cn1ccc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c21 1795739261 XUQAYYULROCNIQ-RMFSNUHRSA-N 447.300 0.375 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(C)n1)C2 1796440975 IAMMEIWLZKNBKD-QHWVMAKGSA-N 444.517 0.789 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ncoc2c1 1797072120 JJSFFOJUNHRIDB-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797775554 AQGIQRISEMWMJA-JFILPPLUSA-N 426.315 0.652 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1799265001 WVMIYPPBOZZTNS-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)n1 1799347931 USTYZOSNKGWTEB-BAESOJJISA-N 443.273 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)C(=O)CC2 1799960664 WOLCFPDUFVDJNJ-FAQVEIGNSA-N 442.516 0.392 50 20 ICGD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334006 CLYXRBDIKNAUBD-BJUDCHGJSA-N 448.426 0.817 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C2 1802332823 FMLPHQWMFQUYSU-MUJYYYPQSA-N 439.557 0.865 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339779 LVEOFSWLHWLRIX-LVQVYYBASA-N 439.557 0.911 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369909 YUXADDMTOWJZSC-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)o1 1807474508 WQHCCKJJNHRSGM-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)COC1 1812489581 ZNPLBTPLFRNCGD-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(=O)oc1)CC2)c1ccc(B(O)O)cc1 1815339573 HTJUJZKGGNXACO-AWEZNQCLSA-N 439.258 0.316 50 20 ICGD Cc1ccn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815350336 QNHTXJJCKGLECB-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)c1cccc(B(O)O)c1 1817474082 LQOJKYBGWFUMKY-INIZCTEOSA-N 436.237 0.205 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1818110416 FTUHJGKMPQAZIO-ZWGXDWAISA-N 442.480 0.672 50 20 ICGD Cn1ccc(=O)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820167750 RXBFMTDJBRRUFD-SFHVURJKSA-N 449.276 0.408 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n1 1822410391 IWHOTYSFPKPESI-INIZCTEOSA-N 430.513 0.980 50 20 ICGD Cn1nccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825973179 JMRWOKHRJADBIJ-GOSISDBHSA-N 439.520 0.966 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)CC2 1825994492 MFQCUMURAQSFCV-AXFHLTTASA-N 437.971 0.990 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(N(C)C)o1)CC2 1826080793 ZHXVFXORFJPEHO-NSHDSACASA-N 449.537 0.796 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cccn1 1826854903 JKMAVDKKURUKLR-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)nc2O)CC1 1827591875 PGCPRUJDKZNREN-INIZCTEOSA-N 448.524 0.494 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1830534490 AEBQXFQQZCOCQP-NHYWBVRUSA-N 433.328 0.639 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830774780 DLTBVRUWAXPEJX-RLFYNMQTSA-N 432.359 0.711 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1831937401 FDXCAINNCRXFKZ-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1ccco1 1832663542 CJVVWGKWUXRICW-CJNGLKHVSA-N 433.230 0.609 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833861576 ZSCYIWZADDCIIP-HNAYVOBHSA-N 428.917 0.906 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834417944 ZRBIHTBLVQDJSZ-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(C)C 1834823266 LWKUPHKESYHOHI-FUHWJXTLSA-N 449.342 0.816 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993927 NCORDSMMDYYQGJ-OXJNMPFZSA-N 425.913 0.712 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836934897 XOKPTSBASJODLJ-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446796 GGCVEFRAMWIOHZ-OYPNYCBZSA-N 430.933 0.168 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838644572 PAAYQKCTZHIJQF-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805388 JYULYPSCVIOQSH-DYVFJYSZSA-N 446.298 0.410 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152420 YRMDQMBOBFSFRM-ROUUACIJSA-N 438.352 0.451 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839645736 QSCWJSKAGXQRAV-HSAJPSKWSA-N 446.342 0.514 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881039 JRZXVHYKGBDRIY-JDFRZJQESA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840032808 KQLIBZBVMPACFV-BONVTDFDSA-N 446.258 0.171 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840033455 FWBUAZDYJNFDQV-OYABHWKLSA-N 445.358 0.698 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326784 YIQKLXSAWWJGGF-KSSFIOAISA-N 443.342 0.972 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592541 QTBQLLAYYXEBJY-KSSFIOAISA-N 433.343 0.779 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841111503 XFPRKULHPONYCE-KBPBESRZSA-N 442.944 0.848 50 20 ICGD COC(=O)CCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842649826 GKNQHCGARFVZSD-UHFFFAOYSA-N 445.520 0.489 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1844264405 ONLXTJDWUMIKLI-UHFFFAOYSA-N 434.456 0.311 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncccc2Br)C1 1844506306 YDHIVDHERGGPOP-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)/C(C#N)=C/c2ccc(F)cc2F)C1)C(=O)C(=O)O 1845871699 GCBCRBQWXKPVPS-VGOFMYFVSA-N 446.410 0.618 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 27193359 JEWCQFLBYKAREU-CYBMUJFWSA-N 445.501 0.863 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[nH]1 727350010 PIGSLNIFODHIPS-UHFFFAOYSA-N 427.508 0.516 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=S)NCC1CCC1 727866584 PDOZHQZOHWNINU-UHFFFAOYSA-N 442.563 0.812 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372887 VHPABIURVNHNFE-BXUZGUMPSA-N 447.966 0.774 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 728380746 UPIFARNVMOZDLY-LUYJPIOASA-N 442.457 0.513 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 729277216 VVELELYFAPWZGH-GFCCVEGCSA-N 444.469 0.182 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)CCCc1cccs1 732555652 RWFWTFXTSPIJIJ-UHFFFAOYSA-N 438.487 0.474 50 20 ICGD O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 734677584 XRWRJIOBHNCAPG-INIZCTEOSA-N 440.522 0.611 50 20 ICGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117073 NSMWEUWPMYVNFR-HNNXBMFYSA-N 444.517 0.800 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 735634681 WRQQBNWCDYAHCT-QGZVFWFLSA-N 428.474 0.630 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)ccc21 735650698 YHPVHELZOBIUAO-UHFFFAOYSA-N 448.277 0.877 50 20 ICGD O=C(CN1CCN(CCNC(=O)c2ccccc2F)CC1)NNC(=O)c1cccs1 738329919 PTPPPOKPTXYKQE-UHFFFAOYSA-N 433.509 0.696 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741207799 RHBPZHQQKQAAFP-ZDUSSCGKSA-N 438.456 0.820 50 20 ICGD O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742516046 XNUBOLGDHVWKSU-TWKYDXJASA-N 440.481 0.662 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 748849651 SNSAEXKZZHDHOE-UHFFFAOYSA-N 429.467 0.470 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OCC(=O)NC(C)C 751204031 VFLXZGGIDIOCFR-UHFFFAOYSA-N 432.433 0.383 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3nc(O)n(C)c3c2)cc1 751550083 YDYZLOPQBCKOOO-UHFFFAOYSA-N 431.474 0.669 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 753659607 GYFDJHASXTXWNC-KGLIPLIRSA-N 428.511 0.465 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 754745362 QNQSJACYALFNQK-ZETCQYMHSA-N 430.382 0.148 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnc2[nH]nnc2c1 755517475 NSKUICKFGQKUCN-UHFFFAOYSA-N 428.884 0.585 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC(C)(C)C 756682709 PDVHRNBVKKJHDQ-LLVKDONJSA-N 449.555 0.162 50 20 ICGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 756685219 OCKGGPOCTUCWDJ-UHFFFAOYSA-N 431.438 0.476 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 763668061 HEEVBBSYRNINFS-UHFFFAOYSA-N 448.501 0.518 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c2ccccc2O1 764243721 XBCQKEOUYROMJF-GOSISDBHSA-N 435.440 0.329 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccccc2O)c2ccccc2O1 764278980 VJVIGNCIWVPGCC-QGZVFWFLSA-N 427.413 0.439 50 20 ICGD O=C(Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)Nc1ccccc1F 764424957 LBECBWDTADWQEL-KRWDZBQOSA-N 444.419 0.508 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 765736442 SHCQJCZRVNXTBX-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)cc1 766643807 ZJMVLMIIZRCFAN-UHFFFAOYSA-N 435.484 0.457 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(NC(=O)CCN(C)C)c2)n1 768237534 MERRNVIDDYBMKE-UHFFFAOYSA-N 443.508 0.485 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NNc1nc(O)c2cnn(C)c2n1 770343008 XVWDUFZHMFKJNX-UHFFFAOYSA-N 448.509 0.723 50 20 ICGD Nc1nc(C2CCCC2)ncc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 772684927 XYCZTVSVXJNZII-INIZCTEOSA-N 441.444 0.861 50 20 ICGD O=C(CN1CCN(c2ccccn2)CC1)N1CCN(S(=O)(=O)CBr)CC1 777831722 ILWKDCVDKXHFOY-UHFFFAOYSA-N 446.371 0.030 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 782538057 RCUVGXHWNZFGJO-UHFFFAOYSA-N 429.499 0.292 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)n1 785130838 VZYMWOHSMQLVLK-UHFFFAOYSA-N 425.449 0.936 50 20 ICGD O=C(Cc1ccc(Cl)cn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 785671039 UKSZDWKTHRCEKW-UHFFFAOYSA-N 438.893 0.760 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(Cl)cc1C(N)=O 793049644 GXXPVOIZZMSRKO-UHFFFAOYSA-N 444.835 0.424 50 20 ICGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 800315357 ZGKNNAMGVLXTED-AWEZNQCLSA-N 425.511 0.315 50 20 ICGD O=C(NCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804868550 LGNQPUPJJSEGHG-UHFFFAOYSA-N 434.416 0.293 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC(C)(C)C 807381366 PMSXVSVJXNVGJV-UHFFFAOYSA-N 427.527 0.374 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(I)cc([N+](=O)[O-])c1 811641999 VODIBDYJJFXOPA-SSDOTTSWSA-N 440.219 0.587 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1)C1CC1 815593054 AINLOJKPYJIMOA-UHFFFAOYSA-N 443.485 0.779 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2O1 815779328 ANJPVPRYHVNRTB-SJORKVTESA-N 432.477 0.412 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1sccc1Br 915048589 HYIDQDLSDCEYEX-UHFFFAOYSA-N 432.325 0.936 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2OC)CC1 916383666 MRJVGSZFMYIKQI-UHFFFAOYSA-N 428.511 0.609 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)nc2ccccc21 916650211 UIVAGVRZDSCBJN-UHFFFAOYSA-N 426.481 0.231 50 20 ICGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)n1cccn1 919686888 ZYQBLUFPDWIFQI-GOSISDBHSA-N 441.536 0.262 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2COc3ccc(F)cc3C2)CC1 1160865534 PJISBNOXFRJCSA-OAHLLOKOSA-N 449.508 0.851 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1321470570 MOPFRNPUQVIJCS-QGZVFWFLSA-N 427.383 0.681 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779068313 IJVBELAZSYJPPU-KXBFYZLASA-N 432.901 0.576 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779529386 NOLLDIJTNCLXAV-XHDPSFHLSA-N 431.218 0.309 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)nc1 1780963480 VEAURTKRWAGIJO-QRWLVFNGSA-N 425.913 0.977 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332465 ZFTGTWMMXQPKOS-RBOXIYTFSA-N 430.278 0.797 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1781654402 KGTGCOWZHNAZBI-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782967747 ULACXBNKHIYRLF-CRAIPNDOSA-N 429.832 0.706 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1783875424 RJXDULONFGFDMI-XOBRGWDASA-N 436.896 0.753 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc21 1783947806 IRJHAFHGDRHXIR-QGZVFWFLSA-N 430.292 0.264 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085418 JPSRBTJSPQQSIV-AJNGGQMLSA-N 447.960 0.869 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccc1O 1786981737 JJPDYHMYTXHGEW-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506539 DZLJKYPBKLTOAB-WVIPKZCGSA-N 445.520 0.691 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(-n2nccn2)c1 1792979104 UMATYWINYJDSSL-LTCOOKNTSA-N 433.896 0.379 50 20 ICGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792987792 BHICOZFMAPDVAM-CHWFTXMASA-N 438.286 0.095 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)CBr)c(=O)nc1O 1792992336 SRUDNTGXOKLSRS-DEQVHRJGSA-N 441.326 0.927 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794359710 QHOQKQOPVZSNHV-NWJSVONSSA-N 428.283 0.462 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CC(c2ccccc2)=NN1 1796192981 GJQAZRKZVUCBGA-IIZPIQPGSA-N 446.316 0.384 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccccc2n1 1797345420 DAOTYQYEVQQEKK-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N(CC)CC 1801010603 KXIUKUAREURGRL-CLWJZODNSA-N 425.574 0.069 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1801380470 UJYFZHOHIKDDSW-JAMKOXHTSA-N 427.343 0.952 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1802546691 JNXLMSRHSCOUCT-BBTUJRGHSA-N 446.552 0.375 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359455 IUTAUZVYHWRKSO-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360472 KPIIFDLXFLPPMA-RXVVDRJESA-N 447.304 0.735 50 20 ICGD Cn1cccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361008 DMLXGGNFBPTKLM-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369789 VTKTZSIHGNMDTG-UGKGYDQZSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2F)[C@H]1c1cccnc1 1810306180 VEJVJCPBMCFWBF-PLYYQAHHSA-N 426.452 0.758 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCC1 1814051628 XIFNLRRDWHBMRF-ICSRJNTNSA-N 432.289 0.775 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1 1819403211 YTXIYCIIIYJDQR-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821636091 XHNIJCVKSWQZCY-SICOMBFOSA-N 433.513 0.815 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824489035 LYFPOPORUNKMPX-UTKZUKDTSA-N 426.322 0.638 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1830370791 YHHBQDVIBYKHNG-QGZVFWFLSA-N 431.946 0.618 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1830455933 AWWNRXHDVOSKAC-NQIIRXRSSA-N 435.908 0.547 50 20 ICGD Cc1ccccc1NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722430 BRSADAPTVXPNLL-YLJYHZDGSA-N 425.913 0.463 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830739075 YAWAYWYJHGWPSH-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830739092 YNYTUTNYKXDKAB-LDRXLRCLSA-N 429.926 0.521 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832933571 JDUNMYXCEYKBHG-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1833398461 CNJDDVAHNZIQJU-YOEHRIQHSA-N 449.888 0.090 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833521945 HMQZHLNPOMTEBU-NHYWBVRUSA-N 433.328 0.639 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834309254 QTQHNGCAWBQNSO-YOEHRIQHSA-N 427.299 0.720 50 20 ICGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1)C(=O)O 1834738433 FERNWCWGBRWPDL-MRXNPFEDSA-N 430.977 0.886 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H](F)Cl 1835080197 LPTNWLWSEQZVSI-KRWDZBQOSA-N 425.697 0.086 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1836395158 VCIXUFFQRIPKJV-OAHLLOKOSA-N 427.933 0.127 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837242063 BQCAQTDBUIGBIJ-YJRQDOMCSA-N 443.393 0.838 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839147733 ASLYIBLPCYGSKA-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839455969 VAKVXPVHSYUQJK-KXBFYZLASA-N 432.851 0.943 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839780137 AGCPIABIASPMGP-RLFYNMQTSA-N 436.958 0.428 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840032682 HFGISZAEDCLDOR-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269732 VTZXKJKXIFOEAJ-IIDMSEBBSA-N 433.343 0.779 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 1841807396 AYCVHHRVYSBGAV-UHFFFAOYSA-N 437.261 0.724 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014518 SBXNBFTWOLKUQV-UHFFFAOYSA-N 444.337 0.941 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cscn2)C1 1843328771 HDFALSHBTWLUKK-MMTYYTLLSA-N 443.533 0.350 50 20 ICGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413196 XKMKFFMIBAGIOY-ZDUSSCGKSA-N 436.372 0.646 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1845237290 UDIBHKKGUDIJJC-KBPBESRZSA-N 442.944 0.943 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2)C(C)(C)O 1847089228 NJJXWCQOCWNWIY-CHWSQXEVSA-N 433.933 0.454 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1=O 105567207 GJQBQXJXZOVAOT-OAQYLSRUSA-N 442.403 0.825 50 20 ICGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215380 YKLKLCADJXYGFT-CQSZACIVSA-N 425.555 0.617 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n1 728731187 NYZLXBPNPPFJBL-UHFFFAOYSA-N 426.382 0.811 50 20 ICGD COC(=O)N(C)CCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729300805 VSSPFCKTIZOJSD-UHFFFAOYSA-N 426.495 0.711 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 731957860 BFUIIRCCBSXUDK-CRAIPNDOSA-N 436.484 0.454 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc1Br 732446560 SCQHTNXYGVLAGX-UHFFFAOYSA-N 442.314 0.566 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 732575430 AYMVMHQTOQAVKT-AWEZNQCLSA-N 425.445 0.780 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1csc(N2CCOCC2)n1 732820491 OVAVPWKAPUJOCN-CQSZACIVSA-N 436.538 0.811 50 20 ICGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734824637 GQYHCCODGGTZSG-UHFFFAOYSA-N 435.547 0.434 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNc2ccc(-n3cccn3)nn2)c1 735585811 IPEQPCKMMIYLNX-UHFFFAOYSA-N 446.493 0.413 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 743580380 XXOXZQYWBRKAJU-PMPSAXMXSA-N 441.513 0.965 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl 746386440 SUTAJRTYTCFWGL-GFCCVEGCSA-N 429.304 0.935 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 746949231 INXYOJWVUJIPGB-MRXNPFEDSA-N 429.564 0.967 50 20 ICGD O=C(CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)NNC(=O)c1ccc(F)cc1 749449247 MWGJVAJCDFDLOI-MRXNPFEDSA-N 440.431 0.584 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 753732028 SEMMBMSLVYVSSC-HNNXBMFYSA-N 432.506 0.555 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)cnc2n(C)c1=O 755847072 PMIXNUKUNDQAMN-UHFFFAOYSA-N 434.416 0.489 50 20 ICGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 758149710 GUQLQGORHVXOLV-UHFFFAOYSA-N 440.503 0.415 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760451322 UHZOXWUTYMWHCL-GFCCVEGCSA-N 439.494 0.287 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1F 763205602 BFWPZUNUZNHTAK-UHFFFAOYSA-N 431.305 0.823 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 763623899 PWMAZOYHNTVKHK-UHFFFAOYSA-N 439.428 0.558 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 763657517 OFSHZSFDYIXVGY-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 763998738 SLPLQMPLAVMLGH-OAHLLOKOSA-N 429.454 0.438 50 20 ICGD CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764164681 YBSRVNMWOOCKRU-UHFFFAOYSA-N 429.838 0.756 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1c(Br)cc(F)cc1Br 764213313 VNRLIUCEHVPLSG-UHFFFAOYSA-N 440.067 0.998 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764276020 WHXDSFASEZYJTK-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 764400505 QAZAINDKULTDPI-CYBMUJFWSA-N 441.506 0.540 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1NC(=O)C1CCCCC1 764424315 IEPDPKQKDDRKSB-QGZVFWFLSA-N 448.476 0.715 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1C 765126119 IMFHEBOKFJEJBI-UHFFFAOYSA-N 448.593 0.956 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 767482898 PGURBAMDYHGWGW-LLVKDONJSA-N 432.882 0.627 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC(C)C 768236901 GGSHXTLYTHYWOX-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD COc1ccc([C@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)N2CCOCC2)cc1 770337396 WBDAAGNGZQDVHJ-INIZCTEOSA-N 442.480 0.777 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1ccncn1 770762868 HHKHHRWOUGNCDH-UHFFFAOYSA-N 434.478 0.283 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COCc2ccccc2)C1=O 771262209 BOEPVJHXUMPFDM-JOCHJYFZSA-N 440.456 0.826 50 20 ICGD CS[C@H](C)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 773313662 YRLZELQFIZFQHM-MRXNPFEDSA-N 442.607 0.980 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 775495521 HTECOYRQGCFKMK-INIZCTEOSA-N 440.412 0.948 50 20 ICGD NC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccs1 777838166 SLPOHNAYWLEOON-JTQLQIEISA-N 439.357 0.674 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C[C@@H](C)O1 779371422 SFQZMJXLUPJNNH-KAYRBKQESA-N 427.571 0.359 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCS(=O)(=O)C1 783428586 WEHQKUJXYUHBEJ-AWEZNQCLSA-N 448.429 0.754 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)cc2)CC1 783432593 AWEUTHNRMPPQHR-UHFFFAOYSA-N 449.519 0.882 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2ccc(C)nn2)c1 783947553 DWJIYJLOJUONTH-UHFFFAOYSA-N 436.494 0.906 50 20 ICGD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002562 SEIQUDOLNSZQNW-UHFFFAOYSA-N 429.433 0.278 50 20 ICGD O=C(NNc1ccc(Br)cn1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 784340024 TUMMOZANFZPPLH-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1cccc(Cl)c1 786579607 MRRACHUFFOXHGF-UHFFFAOYSA-N 443.840 0.762 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)c2ccccc2c1=O 790461399 FQQKBMHMEYISPE-NRFANRHFSA-N 425.445 0.099 50 20 ICGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1I 795079978 HCVDOZNCAZVDCM-SECBINFHSA-N 439.275 0.607 50 20 ICGD O=C(NCCC1(O)CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 807448749 YYTJLUJKDSKVHF-UHFFFAOYSA-N 440.522 0.347 50 20 ICGD COc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)ccc1OCC(N)=O 822234030 AEEIQSJLMQZVTR-UHFFFAOYSA-N 425.401 0.525 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H](C)O1 912921094 KVPGYQJOQKJPRT-HOTGVXAUSA-N 438.550 0.731 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912924631 DLIAJFJBQZLNPP-HOTGVXAUSA-N 426.539 0.228 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CN2CCOCC2)c1 916470504 NFXRBPBDGYORJZ-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1318256054 DNWUZNJRXWQXIT-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD CN(C)CCN1CCC(NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1318919102 IEIQYTBNPSPBKM-UHFFFAOYSA-N 440.589 0.990 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c1 1325895134 JPHHYHHYKJMBHC-OAHLLOKOSA-N 440.522 0.609 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)n[nH]1 1340601801 PNKGZFZLEFFITI-UHFFFAOYSA-N 425.449 0.631 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c2ccccc2c1=O 1340987521 LICUSERSWQCZMC-CYBMUJFWSA-N 446.489 0.588 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1Cc2ccccc2CN1 1777980617 PFSKLLLPZMKCDF-JZJXAQOMSA-N 435.952 0.815 50 20 ICGD Cc1csc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028780 KKFYFPQBOHRQCC-HXUWFJFHSA-N 429.502 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1779036590 BBKXIYIIDFKWLB-NRFANRHFSA-N 443.435 0.287 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779076506 NBJHAONKPLORGZ-WBMJQRKESA-N 425.265 0.115 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cc(-n2ccnc2)ccn1 1780211273 AXGKZDSOSIFFCC-DBXWQHBBSA-N 447.923 0.995 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1783350080 ZTYCKALYRASCBD-KEYYUXOJSA-N 428.331 0.918 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783880515 CNVFLLXMECWTKX-LIRRHRJNSA-N 437.884 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1783934169 BGSRFEHOMKFRKN-NRFANRHFSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C[C@@H]21)[C@H](O)CCl 1784085254 DVIJKTOHMKILJR-AEIBSFOJSA-N 435.908 0.759 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)OC)C3)[C@H]2C1 1784085710 PDVIIAIODRRSBP-FQMQPWHVSA-N 430.929 0.809 50 20 ICGD CCN(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790551538 NRSBWBDQKCUWAF-WVIPKZCGSA-N 446.552 0.440 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 1792660272 FVBUPKOQQLSORO-WPPMCKGSSA-N 428.493 0.285 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)N(C)C(=O)OC(C)(C)C 1792978449 CORCJTPCYKKOPA-UXXRCYHCSA-N 433.933 0.431 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959280 MOZOHHWMLKCEQY-HGKCTWBKSA-N 434.569 0.253 50 20 ICGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1794116319 LYGCSGBWKUJYPT-DRXBFXEBSA-N 444.351 0.853 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(F)c1 1795236382 ZFSGRANSQRKPGA-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cccnc1 1795679671 MPDZAKUFYKSLMU-STGWMILLSA-N 429.290 0.752 50 20 ICGD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749857 ZELUSJIZGNTAHJ-CCWDJLKJSA-N 438.488 0.160 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nncn3c1)C2 1798440740 YXJZBYPQCIZTFJ-QDMKHBRRSA-N 434.460 0.293 50 20 ICGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)ccc1O 1799702242 KMZXAMPTBZMEPX-QDMKHBRRSA-N 439.472 0.965 50 20 ICGD C[C@@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800093921 JOCODAFVTUNFII-OQIJWPOYSA-N 444.536 0.105 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800280749 FOPWQUBPHGTPHV-YWVIFJGQSA-N 440.884 0.611 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)C2 1800981807 SDGDSRCXARIDBX-FQMQPWHVSA-N 428.913 0.585 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnc1 1803314896 YZFJXBPICIEQNF-BLIXFSHQSA-N 441.536 0.918 50 20 ICGD Cc1onc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1C 1803888822 FOGINVACPAGDOI-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807468744 IHBCNKNWGFQESK-DYESRHJHSA-N 449.276 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3ncnn3C)C2)CC1 1807953030 DNZCQAZCDSJTTI-MFKUBSTISA-N 440.508 0.794 50 20 ICGD Nc1nc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cs1 1809966638 IQRUPYWJOMFXRS-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnn1 1810722377 BBSVLNGIFHKVBY-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1 1813071492 QXCQHCZJWMQJRR-NQIIRXRSSA-N 431.537 0.887 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1813330605 PIHOOYDQPGYCNW-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)c1ccc(B(O)O)cc1 1814182426 UMMVJIKUKIVFDM-OAHLLOKOSA-N 429.307 0.475 50 20 ICGD N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)CC1 1814473997 KHVIIHUPTACPOX-JTQLQIEISA-N 425.474 0.671 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H]1CCCCO1 1814504575 TVSBFZYEHDQAFE-ZWKOTPCHSA-N 426.282 0.965 50 20 ICGD O=C(/C=C/c1cnccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347679 KAVZKWGANKRREH-VFADXPBXSA-N 449.301 0.552 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(=O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817471070 QRSCULWAVLFLGI-INIZCTEOSA-N 436.233 0.871 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2ncc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817479193 JJSZKVRRTDSAEN-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819262289 SVIZURHNUANPKP-MYGHRHJXSA-N 446.338 0.554 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825641697 MEAXXIFSSWIZGH-WMFXKJRFSA-N 447.355 0.489 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1825743501 WOOOOZCMZOZOAU-SFHVURJKSA-N 425.298 0.042 50 20 ICGD Cc1noc(N)c1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085145 GVTCKPDDQVPJPR-JTQLQIEISA-N 435.510 0.621 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059365 NGBMTRUJQHXUSG-HRAATJIYSA-N 443.353 0.467 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827567464 VHNRIRAFPAYJAQ-IRXDYDNUSA-N 438.573 0.426 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1830543914 HOAYQWCQQQXPQU-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731643 NDNKIUWSYQZNMY-IFXJQAMLSA-N 440.859 0.372 50 20 ICGD CC(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833135712 KPHNJWLVYIUGHF-UHFFFAOYSA-N 446.552 0.295 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1833264641 MLZTUGLHCPINFT-KBPBESRZSA-N 443.386 0.725 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CSc3ncccn3)CC2)CC1)[C@@H](O)CCl 1833310851 VXKZLWAWRNYJIY-INIZCTEOSA-N 441.985 0.740 50 20 ICGD C[C@@]1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1(F)F 1834801530 TUUADYUSWFRMJV-NRFANRHFSA-N 449.307 0.597 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835483776 NRZPEFVXCYWOBN-IBGZPJMESA-N 444.020 0.059 50 20 ICGD Cn1ncc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1Cl 1836041390 QCTUGXZUPXYEEG-OAHLLOKOSA-N 432.352 0.858 50 20 ICGD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1C 1836713514 FYYABGOHTOFZKZ-GOSISDBHSA-N 426.945 0.869 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837679590 PNKBPWDZTZIGOL-VCBZYWHSSA-N 433.933 0.001 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)ccn1 1837980908 OJPZBTKFFIBEQJ-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD CCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198306 XUDWMACAIOFLKW-BBRMVZONSA-N 434.262 0.998 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839240320 VNVZHCPVEPJSIH-GOSISDBHSA-N 443.342 0.810 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035232 KTLIWVGJZZJIOV-SEZUTPLYSA-N 432.315 0.266 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059679 MGBAMAPKTZUPSU-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840152641 OPIOIORMKZWDMU-FOIQADDNSA-N 440.928 0.233 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840155116 QEFPPXDJBYRCAW-DNVCBOLYSA-N 428.869 0.422 50 20 ICGD O=C(CCc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840458213 RRYISVVYOCWGIW-WBVHZDCISA-N 445.289 0.556 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840584671 GRQMZUVWPKCJKM-UWVAXJGDSA-N 431.961 0.569 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1 1842755842 DYLDXHGPBMPYJP-UHFFFAOYSA-N 436.273 0.545 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@H]2CNc3ccccc3O2)C1 1844219636 ZLTWWKUVQGZXKU-SFHVURJKSA-N 435.289 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccccc1-n1nccn1)C2 1846385714 NFYVNBXWBIJRCG-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD Cc1nnc(NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)nc1O 23311648 SYCGRJUKDQNCFO-UHFFFAOYSA-N 443.283 0.846 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 26957334 ZBALOPKNTXCCEH-UHFFFAOYSA-N 447.469 0.699 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C(=O)NC1CC1 43745749 VMLXLNOCKDOVNW-UHFFFAOYSA-N 436.515 0.309 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nc(-c3cccnc3)no2)c1 728078883 ZTANUUMIPSZDDD-UHFFFAOYSA-N 447.477 0.467 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 728179136 FOBVTJIPTRKVRP-QGZVFWFLSA-N 443.591 0.896 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 728972082 FUARZLCWCWQJNC-CYBMUJFWSA-N 446.476 0.307 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 730321770 NBQQDQFQTPQDTI-IUODEOHRSA-N 437.474 0.219 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(C)C)cc1 731342865 DHIRCMPYAKRPRD-CYBMUJFWSA-N 436.494 0.494 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)C1 732258669 FOHMGHRWXXLFBG-FCEWJHQRSA-N 445.520 0.831 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 734241546 PUFZEUPCOVFNSU-UHFFFAOYSA-N 443.526 0.247 50 20 ICGD Cc1ccn2cc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)nc2c1 735116801 GJTMWPFMDFEUMT-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(C(=O)N(C)C)cc2)CC1 735118362 TWQOUQKODZNYOW-UHFFFAOYSA-N 446.533 0.476 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 740851411 DGTXMTJREFNODD-UHFFFAOYSA-N 449.533 0.788 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 741143965 CWHXBRMAEFIZLT-AWEZNQCLSA-N 438.506 0.785 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 742702963 XULLLTONAKZBBC-UHFFFAOYSA-N 427.385 0.378 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 744705980 VMAZNRHUJHSGLA-UHFFFAOYSA-N 446.441 0.554 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 746623249 HVZJDKHWTZPRCF-HNNXBMFYSA-N 425.449 0.787 50 20 ICGD CN1C[C@@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1=O 750653100 OKZKAWLXNASPHX-KRWDZBQOSA-N 434.460 0.563 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1OC 756548329 PHNMGTSBMAKRGU-PBHICJAKSA-N 425.507 0.506 50 20 ICGD COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 756914427 PPXYYAANDASPPK-HNNXBMFYSA-N 436.432 0.420 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)nc1 759739290 KPHAQJGYBQKSMF-FQEVSTJZSA-N 427.417 0.787 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)[C@H]2CCNC2=O)cc1 760103030 AWLVNNWYQBHXSK-RXBGNRNISA-N 436.472 0.688 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc(S(C)(=O)=O)c1 763420829 XTUIAOVRAJFNMW-UHFFFAOYSA-N 433.442 0.667 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763569807 CEJATACCDUIUMI-INIZCTEOSA-N 433.442 0.157 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 763804453 TYCYWIRHSSRHLP-UHFFFAOYSA-N 428.405 0.755 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)n2)cc1OC 763911484 FXLSUDLJGYLXMI-UHFFFAOYSA-N 429.433 0.768 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 764203979 GTBKEOMWYDDRDU-UHFFFAOYSA-N 442.494 0.481 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1Br 764229606 BHTDYTXGPMVGGA-LURJTMIESA-N 441.691 0.126 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)c1 764385794 JVYYAEMOSKKNGC-UHFFFAOYSA-N 433.490 0.868 50 20 ICGD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2C1 764432017 IBXGLZZQEXSSQQ-MRXNPFEDSA-N 448.476 0.481 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnn(-c2ccccc2Br)c1 764433862 OIAUDBSZZRXRGH-CYBMUJFWSA-N 438.238 0.136 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)[C@@H]1COc2ccccc2O1 764931217 FMTOLVAMHDQZGF-KRWDZBQOSA-N 429.454 0.671 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3cccc(F)c3)C(=O)C2)cc1OC 765058493 AGVHOGFTCCZSCK-UHFFFAOYSA-N 430.436 0.953 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1F 765119716 ZZFWZUHVSNRDFT-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(-c2ccccn2)no1 766641629 IGWXGUDRKXWLGX-UHFFFAOYSA-N 434.456 0.956 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNc1nccc(N2CCOCC2)n1 768242875 JNPMFIOJPADETA-UHFFFAOYSA-N 439.520 0.885 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(-c3cccnc3)c2)CC1 771579091 UWYJWZWTFFPEAJ-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CN(CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 772014787 DLPFYJNANOTDFQ-UHFFFAOYSA-N 440.503 0.784 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782702867 SEVZLMZQJMMRKN-QMMMGPOBSA-N 445.910 0.487 50 20 ICGD O=C(NNc1cccnn1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 784858322 HZRGVULEAYOSBW-UHFFFAOYSA-N 430.490 0.684 50 20 ICGD COC1(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 790138265 FYINQRPTUAOTAY-UHFFFAOYSA-N 439.534 0.747 50 20 ICGD CN(C)N(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 792855745 SPSZKQLAIPSADF-HNNXBMFYSA-N 441.531 0.864 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806798700 ZJSXTKUWTVKYMM-RXMQYKEDSA-N 448.221 0.953 50 20 ICGD COC(OC)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 807093953 RENHVNCAVCRIDV-UHFFFAOYSA-N 430.461 0.790 50 20 ICGD COC(=O)N1CCC(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 807526657 RQBLPCOOEMSXTL-UHFFFAOYSA-N 441.510 0.359 50 20 ICGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 808086967 LIQIEZPEOZAFGQ-UHFFFAOYSA-N 429.476 0.203 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1cccnc1 810348494 OMIIVGOCCAINJD-UHFFFAOYSA-N 427.280 0.513 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cnnn2C)cc1 813793543 UEKJXGBRDWRMDX-DHDCSXOGSA-N 434.460 0.786 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 815751812 PBMVAEAPTXHBPP-UHFFFAOYSA-N 431.474 0.305 50 20 ICGD N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCNC(=O)C2)c(-c2ccccc2)n1 912967370 WBUKZXBPXXCKLE-BOPFTXTBSA-N 432.440 0.872 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 912985329 GGQHPRKXCIRCRX-AWEZNQCLSA-N 426.495 0.566 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccccc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 914532168 CGOYRDUQDLLJQI-KRWDZBQOSA-N 431.514 0.999 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc(Cl)cc1 914907462 WAXGZQSQWTZTFF-UHFFFAOYSA-N 440.865 0.408 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCN(C)CC1 916258137 LDTWCVMEWIYVQZ-KRWDZBQOSA-N 429.525 0.150 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cccn1C)c(=O)n2Cc1ccccc1 916330794 ATISLYHELSNYFC-UHFFFAOYSA-N 433.472 0.917 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 916552664 IKBICGTXRTVANC-HXUWFJFHSA-N 431.470 0.870 50 20 ICGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)Cc2csc(N3CCOCC3)n2)cc1 917566473 ONRSZTHRPVMIIH-UHFFFAOYSA-N 437.547 0.971 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2c(O)nc3ccccc32)cc1OC 919355716 XBLUDPRZQSEHBZ-UHFFFAOYSA-N 428.401 0.764 50 20 ICGD CN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1115863884 PESMMNWAEMDNKQ-UHFFFAOYSA-N 439.519 0.305 50 20 ICGD CS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1317767489 FLBIKBNXFLZBLB-UHFFFAOYSA-N 446.532 0.007 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccs3)CCO2)C1 1779028412 KZZOBWUCOZRKFV-OAQYLSRUSA-N 443.529 0.823 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)[nH]n1 1779570640 AZLSMTPKDYIMSJ-JOCHJYFZSA-N 440.309 0.144 50 20 ICGD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)=Cc2ccccc2N1 1779984102 SCLGTXUWYFGHCC-UTKZUKDTSA-N 433.892 0.842 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782281086 CPPDQJHQNOYCMH-YVEFUNNKSA-N 427.299 0.893 50 20 ICGD COc1cccc(CC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1783640772 QWELSNFNPONBQK-QHCPKHFHSA-N 446.548 0.749 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1783746320 CAMVTQSNNNGBJN-LLLHUVSDSA-N 444.937 0.283 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1783933875 KLBVXFVXQDQBFQ-NRFANRHFSA-N 438.475 0.710 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1783969757 PLVYEMPWRWDEKG-OEAJRASXSA-N 426.311 0.944 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1785997152 BTSMZGNPTXZWPS-YPMOQXHOSA-N 427.465 0.137 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCCC3)C[C@@H]21 1787508187 NSSQKNFALKUQPY-SKFHZHBLSA-N 443.504 0.794 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(-c2cccnc2)[nH]n1 1788934809 FDXMPKUNDDUKKU-ZZCKCESHSA-N 433.896 0.665 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C[C@@H]21 1791289080 IXCIIKZCIZGWEL-MUGJNUQGSA-N 445.564 0.082 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291528 WTXAIWVWXUDZNL-XSLAGTTESA-N 446.552 0.235 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](O)N3CCOCC3)CCC2)cc1 1791601262 XVZOTRJMBJLJNC-OAQYLSRUSA-N 447.536 0.144 50 20 ICGD O=C([C@@H](O)CCl)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793400607 OKQXDOPVIQDOOT-FSDCSDTHSA-N 435.908 0.595 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795113249 QVZJUTQPWWZXEI-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD Cc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cc2n1 1795942791 VYZFCNHFJYFGHH-VPTLXERWSA-N 449.272 0.333 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796367786 VOZHJOOUAVFDEM-ZUWCUPBKSA-N 437.896 0.386 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1799275371 UZWPRQLBZRDQBJ-TYYYEBLRSA-N 432.304 0.835 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(F)c(OC)c1F 1799737155 CQBXAWIBLCFDLJ-FXZYXXQUSA-N 448.850 0.785 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1800639523 HWTMFAXTAQEWAH-UMPJEAMMSA-N 426.311 0.611 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1800761597 BXSNBDCGIXDRDW-MCYUEQNJSA-N 425.327 0.895 50 20 ICGD Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)c1 1801694696 JSBFDIVKVUJQAN-HATOLVCRSA-N 436.317 0.809 50 20 ICGD O=C(CC1Cc2ccccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802175789 TUCYRXVZEMCDNX-RUMRUAAYSA-N 448.328 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1803744498 XEQMJIMVFSWMFB-MGPUTAFESA-N 441.492 0.270 50 20 ICGD Cn1cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805352364 UNFQELWLNOEDBR-RXVVDRJESA-N 432.289 0.733 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@H](O)c3ccccc3)C2)CC1 1809456341 LXRXYASICMPYQR-OAQYLSRUSA-N 436.317 0.945 50 20 ICGD C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305920 QISYAYQTFQNWPX-RVSPLBMKSA-N 428.518 0.718 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1813034770 XEVQJTFLAILBNQ-YZVOILCLSA-N 449.895 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2csc(N)n2)[C@H]1c1cccnc1 1813070834 LJHSDBREHXXYNZ-KSSFIOAISA-N 445.549 0.813 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)Br)[nH]n2)C(=O)N1 1815668418 ZIBWBOIQQMLQIC-TVQRCGJNSA-N 445.249 0.644 50 20 ICGD O=C(CNCP(=O)(O)O)Nc1cc([C@H]2CCCCN2C(=O)C(Cl)Cl)[nH]n1 1817234595 BVDURZVQSKFYEQ-SECBINFHSA-N 428.213 0.930 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819579830 QSTQKYYOZIKLDA-DYVFJYSZSA-N 439.281 0.086 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826841128 UPTUZMQPRLBCBN-ORYQWCPZSA-N 429.370 0.973 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050807 GNEXDPRKDCMHIP-QGZVFWFLSA-N 432.355 0.226 50 20 ICGD Cn1ccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925732 QPNIKNAROMWZFK-GOSISDBHSA-N 439.520 0.966 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1830543806 DQHGGFGWQPBMOT-JKIFEVAISA-N 444.330 0.327 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c[nH]1 1830724514 HYRIBDLPLPVDTA-YWZLYKJASA-N 427.929 0.982 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730444 ALJRNGWICGXZJJ-DYVFJYSZSA-N 428.898 0.066 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487728 MOMLWRRYLXCFMO-NVXWUHKLSA-N 448.402 0.676 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831693179 RGSOFWFZSDMDBX-HXUWFJFHSA-N 443.617 0.457 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736909 NHCRTNDJEBMXRS-SJKOYZFVSA-N 443.298 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831988340 VSYAZBSBPMXIRE-HOTGVXAUSA-N 425.913 0.785 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833041330 TYWCCWYSPXYIAC-QAPCUYQASA-N 443.342 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833457385 NKHZTHVNKRVLPF-JXFKEZNVSA-N 442.944 0.962 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cnn1C 1834420382 DLXUNMVMENQHPC-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD O=C(C#CC1(O)CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835748523 UPOJHXXLXNWQOR-IBGZPJMESA-N 439.984 0.856 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1CC=CCC1 1836387101 GVBLQKJXHJMNJE-SFHVURJKSA-N 439.365 0.908 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cnc3C)CCO2)C1 1836554434 FOLCLUJWPZGBOC-CXAGYDPISA-N 429.315 0.962 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717686 GYAFXYHZDCHQTB-GOSISDBHSA-N 449.939 0.870 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838095172 NBXCMPOXFIIRMJ-BBRMVZONSA-N 431.262 0.546 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839199735 SNSSUYSKPBBMPQ-ZBFHGGJFSA-N 433.278 0.110 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839967520 PCGWHYLFKILNSZ-XGCIQTSOSA-N 433.299 0.647 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840031962 HZHAKVFATBKUMC-SJCJKPOMSA-N 429.267 0.493 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840323989 OQCNQDSGRAHGMW-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348658 XYELWOMMNLNJKV-MCIONIFRSA-N 433.933 0.718 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326538 QNZXSIPGDRTTBL-NEPJUHHUSA-N 434.331 0.859 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847555872 AHLABMRLGJYFBE-QTVXIADOSA-N 433.933 0.716 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847564280 SQJSJUOLWFMIMU-PJHJGJPPSA-N 431.917 0.160 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 107917495 CFDLPGNWSKCRRY-UHFFFAOYSA-N 430.552 0.797 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccco2)c2ccccc2c1=O 117597883 MSEMUIRDDZTIBA-UHFFFAOYSA-N 426.433 0.660 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)CNC(=O)c1cccs1)C(F)(F)F 725874183 XVKKQZBDQLHNSH-OAHLLOKOSA-N 448.427 0.382 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCc3ccccc32)c1 726281549 YPGZYSPOQVTEGN-UHFFFAOYSA-N 445.501 0.470 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2nc(-c3ccncc3)no2)cc1 726376816 DRFCVGNBMXTJOK-UHFFFAOYSA-N 445.461 0.854 50 20 ICGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732751292 PYTRZVLCGUXKHZ-CABCVRRESA-N 427.548 0.049 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 740852108 LCPGNTPOMACVPB-INIZCTEOSA-N 433.465 0.960 50 20 ICGD Cc1n[nH]c(C)c1C=NNC(=O)C[C@@H](C(=O)NN=Cc1c(C)n[nH]c1C)N1CCOCC1 741766584 NBIRZKBXIJOPGJ-SFHVURJKSA-N 443.512 0.058 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 746386169 NUXKOCZCNAAOLC-INIZCTEOSA-N 434.493 0.036 50 20 ICGD COc1ccc(-c2cc(N)c(C(=O)NN=Cc3c(N)n(C)c(=O)n(C)c3=O)s2)cc1 749809086 AAZCZLBUYNLAHA-UHFFFAOYSA-N 428.474 0.749 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccn2c(I)cnc12 750602210 WGNVUXBABGICNX-QMMMGPOBSA-N 448.242 0.135 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 751267296 OYWAKHXCYGBZFV-HNNXBMFYSA-N 426.378 0.439 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 753035301 YHXGRJXUHFEJIH-SFHVURJKSA-N 445.443 0.279 50 20 ICGD CC[C@@H](C)Oc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756205813 WMVJBONEIFEQAO-GFCCVEGCSA-N 443.464 0.464 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 761821088 RACIGHJXBRIVGV-UHFFFAOYSA-N 440.503 0.297 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccn1 763466848 LADLPTUARUTFDA-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 763732176 AMHRZFBXCWYMPD-UHFFFAOYSA-N 434.518 0.897 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)CCO1 764274724 BUOUIOGPPYCMFX-AWEZNQCLSA-N 428.445 0.782 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 764399073 JLKNDPDALGSCEP-OAHLLOKOSA-N 434.493 0.696 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)COc1ccc(C#N)cc1 764525317 RZBUHPMTBYVWAC-ZDUSSCGKSA-N 427.442 0.323 50 20 ICGD CCCCCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729106 USZQBKMVEYXANE-UHFFFAOYSA-N 442.476 0.464 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 766272817 WPCUYJBAYFBINO-UHFFFAOYSA-N 434.478 0.625 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)nc21 770399049 IXDWGAVAOJPDNO-GFCCVEGCSA-N 433.517 0.500 50 20 ICGD Cc1c(Cl)cccc1NNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 773765981 BIAVHMHKVFVGHD-UHFFFAOYSA-N 426.882 0.937 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 774010757 ZEOZHQRGBYZHOH-NSHDSACASA-N 434.836 0.758 50 20 ICGD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 780350911 NZIJPRZLWCSNMG-RISCZKNCSA-N 441.868 0.536 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNc1ncncc1Cl 781830701 UCJNMDHMCHDKMX-ZDUSSCGKSA-N 441.897 0.815 50 20 ICGD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OS(=O)(=O)CBr 782397693 CJWBSVAAFIUMPM-UHFFFAOYSA-N 445.269 0.677 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2c(cc1Br)NC(=O)CO2 782709696 VCACURNYNLWVIL-UHFFFAOYSA-N 427.255 0.846 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)cc1 783349171 ASZRECQYACKDLL-UHFFFAOYSA-N 449.514 0.992 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004703 JWQOIDBKVWONES-GFCCVEGCSA-N 446.485 0.616 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 785330436 HISIIFRRPLCYNS-UHFFFAOYSA-N 447.473 0.371 50 20 ICGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)s1 788047374 LMPBLPBTVMVPPO-UHFFFAOYSA-N 429.476 0.741 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2nncn2C1 793448537 UICQMKAVBOKPHG-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3COCCN3C3CCCC3)CC2)cc1 793683130 QJVGATJDCIIHBP-QFIPXVFZSA-N 443.592 0.903 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1C 797358137 ZXEYCZJXIBSKTL-YOEHRIQHSA-N 429.433 0.023 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 798164576 NNNXANVTPXVKDT-UHFFFAOYSA-N 441.849 0.786 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 799258907 KONOLQVVUCNWMW-UHFFFAOYSA-N 449.464 0.433 50 20 ICGD COCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCN(C(=O)OC(C)(C)C)CC1 807266748 FCOARIDQMTWPNY-UHFFFAOYSA-N 427.502 0.259 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(CN2CCCCC2)c1 815690978 BHNQGRFPNVXGPA-INIZCTEOSA-N 425.493 0.613 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 918220848 BPSCFMCHRRKTJT-UHFFFAOYSA-N 431.405 0.743 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c2ccccn12 920273840 CJDLAKRUMPNEBV-UHFFFAOYSA-N 426.252 0.903 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)C1CCN(c2ncccn2)CC1 1251624395 XQLNZKXSVLMJRN-ZOBUZTSGSA-N 447.565 0.566 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 1317697789 GQNPNIDPDFJBJY-UHFFFAOYSA-N 441.487 0.430 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 1319219394 JWNDWSVKGXRZLX-LJQANCHMSA-N 449.511 0.742 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780098420 ACAVUTCJRRAEPU-ACJLOTCBSA-N 426.311 0.860 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1NC(C)=O 1780208686 DZPKLBGHWSQPAZ-UZLBHIALSA-N 439.896 0.697 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1781897108 AZARZVANENOXNZ-PMUMKWKESA-N 447.374 0.945 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)[S@](=O)c1ccccc1 1782679649 VBRUKIMYBPFBOI-QRAOUFAHSA-N 428.938 0.612 50 20 ICGD CCC(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783083571 CMIZVYYBGXWREK-DJJJIMSYSA-N 431.917 0.928 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094929 VRGITTQEEJYUAO-FQKPHLNHSA-N 433.933 0.479 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785637662 VJWGEVLJDRIBDY-HXUWFJFHSA-N 433.534 0.272 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788889066 HJZOQJLLEONZPL-WTFGDDLMSA-N 445.245 0.459 50 20 ICGD COc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789073329 PYPPQKDNZMWIAX-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1792479538 HSWLIRNJZROQRL-CHWFTXMASA-N 432.344 0.814 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796363478 SKIFRYYLELJSJL-IWTMDLJTSA-N 449.907 0.481 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(=O)n1C)C2 1796889815 JZDWKNONTTXLPV-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD CCc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n(C)n1 1798439781 DXYIPKFTUQSXKE-QDMKHBRRSA-N 425.493 0.547 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1ccc(B(O)O)cc1 1798494117 BTSYUBSLYZCFAX-HVRZVKTKSA-N 429.282 0.147 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2ccncc12 1799914928 QLHWIFMFBJZNSM-OPMZPASUSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1)c1cccc(B(O)O)c1 1799930502 XRAVSJQWGFXABS-RACLHMPKSA-N 439.321 0.019 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1800177369 BQJHSUVTAAVGHT-XLWJZTARSA-N 433.933 0.500 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800640300 QAVKXDHOWMMOQG-QNSTZXKLSA-N 439.372 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1800970310 BPIHYNDGRRRXAM-YIDVYQOGSA-N 445.944 0.839 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803138151 XTFRWXBYFQVENL-LZLYRXPVSA-N 426.970 0.736 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3CCCC3)C2)CC1 1804921154 WVKGLFZTUAJSBG-UHFFFAOYSA-N 428.537 0.626 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806123444 CZTJAEKMUJXJLP-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1)C(=O)O 1807207493 ZEYWVIMWHCNOPQ-CTHBEMJXSA-N 445.289 0.841 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360470 KPIIFDLXFLPPMA-NQIIRXRSSA-N 447.304 0.735 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361810 XSFTWIBWRNXSLU-SIKLNZKXSA-N 436.321 0.177 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807374482 HNJCYCXZNHOOAW-PGRDOPGGSA-N 447.304 0.355 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(O)n3)C2)CC1 1808369060 OIIYUWYAYUCABP-UHFFFAOYSA-N 438.488 0.944 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1813030819 GNABANPOFSZKSJ-PNBKFKSVSA-N 442.900 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1 1813073896 POGFYKQHTOMJLP-IERDGZPVSA-N 440.504 0.875 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354575 JMGBRMWPEGOYBT-FABXCBLPSA-N 430.339 0.422 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817472498 NBWUFTDNGFKYCE-APWZRJJASA-N 439.325 0.737 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402264 XIWJRXZBRYYJJC-CQSZACIVSA-N 438.452 0.156 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410711 QLEHPPWCTPIOIC-ZFWWWQNUSA-N 435.529 0.690 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1824185562 YKHOSPZGYWWBHM-QXAKKESOSA-N 429.005 0.842 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323600 XRELFSBHGAKQSI-STQMWFEESA-N 432.974 0.749 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](O)CCl)CC3)cc21 1826196083 SGTFLMRIBKLZOZ-DOTOQJQBSA-N 437.928 0.460 50 20 ICGD CCSc1cccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731653 LPJWEPAFMOXVLZ-KUHUBIRLSA-N 443.953 0.863 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869501 HXFKFPCIONGHHE-MOPGFXCFSA-N 437.585 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1831874723 UZZFKKVFLSDJPM-MSOLQXFVSA-N 435.569 0.600 50 20 ICGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CCC1=O 1832370216 GPGIABWZTKFKKI-IBGZPJMESA-N 428.917 0.316 50 20 ICGD COC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833119731 RKQKBKJPIAPGBP-UHFFFAOYSA-N 425.574 0.356 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799827 FQTMEVWPJVKNPU-KRWDZBQOSA-N 443.353 0.143 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800110 QZZASWLBOHGVJO-HTAPYJJXSA-N 441.381 0.988 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819567 RDRZOBFKYSCQNC-SFHVURJKSA-N 443.342 0.892 50 20 ICGD NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1836048081 IMRPPSCDHUDJKF-HNNXBMFYSA-N 426.880 0.295 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1F 1837712487 UWHLQEGYXDSZGR-LJQANCHMSA-N 442.564 0.789 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837969699 UQOZYZXCZBREGD-IBGZPJMESA-N 426.542 0.693 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839147779 CFMWYPGURYMWKH-HJXCVWKLSA-N 428.913 0.804 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cn1 1840150192 HBLAPVSZUUBPPP-PXNSSMCTSA-N 425.913 0.968 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1847007276 GQQHNLCSOCFZFP-DLBZAZTESA-N 425.888 0.676 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2(NC(=O)OC(C)(C)C)CC2)C1 1847144650 UGWXQXFNSIHIQN-UHFFFAOYSA-N 437.541 0.620 50 20 ICGD O=C(c1n[nH]cc1I)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563651 NXMMFPBDOGCOJC-GUBZILKMSA-N 438.653 0.429 50 20 ICGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 12702598 DMWXURATHNCRIH-UHFFFAOYSA-N 425.540 0.582 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 14842735 PUIMTKWSFSEBPX-UHFFFAOYSA-N 436.468 0.902 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14939640 ZPDLBSKCHQVDIO-OAHLLOKOSA-N 440.431 0.812 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cnnn2)cc1 28808530 IHWKADFSNSZXRI-UHFFFAOYSA-N 427.446 0.412 50 20 ICGD Cc1sc(=O)n(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 728215577 GWNYOUGSSAAGKC-UHFFFAOYSA-N 439.563 0.606 50 20 ICGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)(F)F 728433732 FFQQDBUIIJEHIT-MRVPVSSYSA-N 442.372 0.932 50 20 ICGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cc(F)ccc2Br)CC1 728743617 VFZGONNGENJQSU-UHFFFAOYSA-N 437.291 0.956 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1 728846243 VQXSTJMTQRXANB-UHFFFAOYSA-N 444.517 0.595 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 728850098 IHNWYHMYZGNBJE-HNNXBMFYSA-N 444.469 0.409 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1=O 733126027 NSYYYKRCYIIBOZ-UONOGXRCSA-N 426.477 0.429 50 20 ICGD CCOCCCn1c(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nc2ccccc2c1=O 733268040 HQJIWBXPJZXOBG-UHFFFAOYSA-N 438.448 0.351 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC1 735116862 ISIRSEVWHXCTIG-XYPWUTKMSA-N 435.550 0.856 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736405488 IJVYMGREJSAQGK-UHFFFAOYSA-N 438.550 0.923 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 744572895 UCDCMHKYGGRWJL-UHFFFAOYSA-N 444.469 0.805 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 747407619 UPNFDGHGDXBXIW-UHFFFAOYSA-N 429.476 0.235 50 20 ICGD Cn1c(O)nc2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc21 751867119 NIOVZIYPYJZGAN-INIZCTEOSA-N 426.385 0.423 50 20 ICGD Cc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 753065563 IIMSULZOPYVTRB-MRVPVSSYSA-N 426.860 0.236 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1CC1 753419545 SRNZOJKQROMUFG-INIZCTEOSA-N 449.460 0.917 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)co1 755385511 LPNVNBLYUPFRHV-UHFFFAOYSA-N 449.533 0.503 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 760355722 ITPGGECOYYPOFE-UHFFFAOYSA-N 435.480 0.030 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C 763293948 JMSIWVICFSHCQF-DHDCSXOGSA-N 443.460 0.064 50 20 ICGD Cc1ncccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763509272 QCZRUWQWYLDMFI-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD COc1ccccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530182 FFYKOCMHGWWLAG-UHFFFAOYSA-N 425.489 0.993 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 763716375 FPHMIOUEMNLSLL-UHFFFAOYSA-N 439.432 0.398 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 763727335 CHLCHKKMXVJGJZ-UHFFFAOYSA-N 444.455 0.678 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc21 763808652 ZYMXHQNCOCQNHI-UHFFFAOYSA-N 436.428 0.719 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 763866662 XKAYLBVQUILBPI-CQSZACIVSA-N 445.451 0.919 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)n1 763894969 IXROXTKHLMQHLY-UHFFFAOYSA-N 436.469 0.379 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cc2Cl)CCN1 764191604 BULPUPRFWZEFOX-UHFFFAOYSA-N 443.891 0.995 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 764205123 ZXNNOONOTPVAJI-UHFFFAOYSA-N 435.485 0.901 50 20 ICGD CCOC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 764430548 JEVXKFUGVPXWCS-UHFFFAOYSA-N 433.446 0.986 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cnn1-c1ccccn1 765075846 NDYRVCJGHOKYTH-UHFFFAOYSA-N 442.505 0.592 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 766019642 UJQOUNOFILMHKT-ZJUUUORDSA-N 442.498 0.797 50 20 ICGD Cc1nn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1Cl 766640611 DNHUCYHOAXEYIV-UHFFFAOYSA-N 432.912 0.759 50 20 ICGD CC[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccccc1OCC(=O)NC 770352309 VSCZGEPLFWVTQK-ZDUSSCGKSA-N 428.453 0.971 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1CC(=O)O 774602961 DKLMRHKRPUHKHR-UHFFFAOYSA-N 435.458 0.887 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440368 GGRUZUYDGFAFJF-RYUDHWBXSA-N 425.486 0.405 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NN=c2cc[nH]cc2)cc1S(=O)(=O)N1CCCC1 783375957 BSRLHFFQUUJLPG-UHFFFAOYSA-N 433.490 0.769 50 20 ICGD CN(NC(=O)CCc1nc(N(C)C)no1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704121 JLTHXTCYRLLRJS-UHFFFAOYSA-N 425.490 0.704 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 784853448 IUVKNXLGVWZXCH-UHFFFAOYSA-N 435.458 0.978 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 787556382 WGFUNRRLZCFRRJ-UHFFFAOYSA-N 433.371 0.860 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc(Cl)c1F 792280960 SGNJVUMPTNTHBZ-UHFFFAOYSA-N 440.771 0.375 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)C2)c1 792628327 GYUWTKUKRRXZKL-LPMFXHHGSA-N 434.493 0.844 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCc2nncn2C1 793452061 XBBZQRAVQCNYDZ-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1OC 795160129 DFLLJZNHEHFCOD-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)n1 797536133 VIQDFEFXRJDFSV-UHFFFAOYSA-N 448.911 0.772 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)nc1 797652802 PSJOTXBIEOHJJR-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1cnc(C#N)n1 798861091 AWJXXMOPFHMHRN-AWEZNQCLSA-N 442.443 0.874 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1F 801105779 IZMQHIRWAGTVRY-UHFFFAOYSA-N 434.449 0.998 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)c2ccco2)s1 805044660 XVLNCIBBOCIWKA-UWVGGRQHSA-N 437.482 0.417 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 806308644 DURKXRUHILLYHV-UHFFFAOYSA-N 432.466 0.736 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)ccc1F 806979193 VKUCMCREAJRFGK-UHFFFAOYSA-N 438.437 0.158 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 808011534 XHFBJVVUNXMSPG-VDMFXUGISA-N 435.481 0.697 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnc(N(C)C)n3C)CC2)cc1 811645399 KWAYMXIRJNKHFF-UHFFFAOYSA-N 447.565 0.251 50 20 ICGD C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 813592781 SGXBPYLIMNJEGY-BXUZGUMPSA-N 433.442 0.397 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)s1 814333128 IGPXGEBDDRROMP-GMTAPVOTSA-N 435.514 0.248 50 20 ICGD CCn1c(NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc2ccccc2c1=O 825448222 HXRIWBKURDEFJH-UHFFFAOYSA-N 446.467 0.931 50 20 ICGD COc1cccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 913391896 MTFSUYXOVGMMNH-UHFFFAOYSA-N 439.516 0.785 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)Cn2nc(C)cc2C)N2CCOCC2)cc1 915896420 DDJZVMCZJPTKBF-LJQANCHMSA-N 430.509 0.912 50 20 ICGD COc1ccc([C@@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)N2CCOCC2)cc1 915896434 DQQBOPKYBSNWIV-IEBWSBKVSA-N 426.539 0.450 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc(Br)c(O)nc3=O)n[nH]2)cc1 917178047 GVDRGHQHCFAOHR-UHFFFAOYSA-N 447.249 0.871 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779120699 RGDNRJPXWTVBOX-KUHUBIRLSA-N 426.901 0.950 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779362453 ACNYSGAOWILYFK-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779692367 HGMCVCWZPIDRIU-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780220536 GMUOJNKDIHLQKL-CXAGYDPISA-N 428.276 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNc1ccc(F)cc1)CCO2 1783933584 ARYKKBJIXDZHFF-NRFANRHFSA-N 435.500 0.441 50 20 ICGD Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)c1=O 1784733971 SYFPWIUMHXYBMX-DOERSZECSA-N 430.274 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)cc1 1792876524 DUCDDWAFSAUEQV-QDMKHBRRSA-N 439.472 0.722 50 20 ICGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793314349 VCJRXGLRLZUYJN-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccnc2ncccc12 1796193261 YSDHMGUATCKDEW-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccn2)nc1 1798214334 KULSEFYNGXCMSL-KYHPRHEASA-N 433.896 0.724 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799047410 FSTGJFWAAMAJHF-CNUSHZMNSA-N 441.887 0.133 50 20 ICGD C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097528 ODPKFMZFOFTPDC-RMRDIRSESA-N 449.577 0.241 50 20 ICGD NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)cc1 1799352337 RHTDYAJKCOFWOS-CRWXNKLISA-N 428.258 0.679 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1807196676 NIFWAIQMOQXYLV-MYZSUADSSA-N 444.305 0.371 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1807528479 JDHYHPHQMWSZCC-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1812334131 WKJJZRKAAJMLPG-ZOBUZTSGSA-N 441.985 0.825 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cnn1C 1817471055 QCIDRNHRZOVILU-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471066 DGTDGDRDNJUQLG-LJQANCHMSA-N 439.325 0.881 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cc2n(n1)CCCO2 1819112161 CWBBWYMXDVOXBA-SKDRFNHKSA-N 425.898 0.948 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826099934 WMZNFYAVRVUXCH-SREIQFSDSA-N 425.294 0.923 50 20 ICGD CC(C)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051498 ZKQDNIJPJAZPJR-NRFANRHFSA-N 429.370 0.988 50 20 ICGD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)nn1C 1827056199 QLGQIPQPUGXLAO-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n[nH]1 1830539343 GJRSPSWLWRZYGE-FZKQIMNGSA-N 443.342 0.748 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831829266 YJQRWQJDZJBDLH-SOUVJXGZSA-N 428.917 0.458 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833097416 QOMJOURTVIMXOY-ROUUACIJSA-N 430.977 0.727 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833677601 MXSCFCUQJJYCSP-XIKOKIGWSA-N 430.864 0.096 50 20 ICGD Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834073455 NEPQHJYJLBUWHS-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD O=C(c1cncc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834360064 VAFFTKURJMIGTH-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CN1 1834421526 LPLDEQSGQOHQGL-CQSZACIVSA-N 443.386 0.869 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CCN1 1834423560 RDGVDKIEXSHTGQ-AWEZNQCLSA-N 443.386 0.869 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835660644 HZUGJKHQVSMOOR-XDXAGZTOSA-N 440.972 0.647 50 20 ICGD Cc1cnoc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836068916 HQLXMCGXWYHSIZ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837715361 MAKZMVVOZWQFTL-IBGZPJMESA-N 426.542 0.693 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838664360 FFXNPOXEDWPHRH-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnn1 1839707505 WGRCHYMHLAPLLD-CJNGLKHVSA-N 430.303 0.081 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1839988982 FTZTZIOROXOJRX-NNMXDRDESA-N 436.936 0.848 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840033851 SKOGFOJLJOERIV-AYUYMFJTSA-N 442.310 0.938 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840154511 XXOUPKBKVJKEDQ-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD O=C(C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccc(Cl)cc1 1843010457 RWKXJXKZYSIADS-UHFFFAOYSA-N 426.665 0.720 50 20 ICGD O=C([C@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013093 HKANXPZHJFNUOQ-HXUWFJFHSA-N 433.273 0.377 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cn3cc(F)ccc3n1)C2 1844264377 LXYRASNSYVCTCM-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)CBr)C2 1846559934 GZLVUHNKDIMRRM-IUODEOHRSA-N 440.342 0.691 50 20 ICGD COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NNC(=O)C(=O)NC1CC1 9889259 ZRDXQJFOVAYMSY-UHFFFAOYSA-N 436.424 0.531 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)cc1OC 105233820 XIQRHWJQFONEPF-UHFFFAOYSA-N 434.493 0.036 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1OC 728513065 PZIHEJXYJPAEQO-INIZCTEOSA-N 434.493 0.762 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)CCc3ccccc32)c1 732050336 SMNPCAAEZZKVPD-UHFFFAOYSA-N 430.486 0.677 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 732260562 GCFBAKPJKXPJPM-CHWSQXEVSA-N 431.453 0.744 50 20 ICGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 734216041 IVXBRMKLAMVGMD-INIZCTEOSA-N 437.522 0.424 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(CC(F)(F)F)CC2)c2ccccc2c1=O 743356032 AMOPXXQCVNXADN-UHFFFAOYSA-N 426.399 0.904 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 743529056 NWKZNOUTXBZIJF-OKILXGFUSA-N 427.527 0.925 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 744552560 XGLJGEASOMKBGO-LHSJRXKWSA-N 430.461 0.800 50 20 ICGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1OC 744847669 YKNHOGOZXGHWGX-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 747728134 TZUQPCDMTSKMSO-NSHDSACASA-N 429.408 0.308 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749161052 UHKMCEXFMLXQGR-HNNXBMFYSA-N 434.499 0.999 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCCN1C1CCCC1 749257933 HJVBPVXMMFWRCY-FQEVSTJZSA-N 427.549 0.999 50 20 ICGD CC(C)C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 751211134 CHJDGWXIKFUWBD-ZNMIVQPWSA-N 430.461 0.523 50 20 ICGD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756238215 CTSWFWUREBJYBO-LBPRGKRZSA-N 425.511 0.758 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1=O 757763324 IXGYIYILPOSWGL-UHFFFAOYSA-N 440.416 0.125 50 20 ICGD COc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758838294 DUEZAZQQVYFUAG-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(Br)s1 758864504 RULONBYXEJQRKR-UHFFFAOYSA-N 428.334 0.287 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@]12CCCO2 759212036 VDZNCRIOTZWNKZ-HBUWYVDXSA-N 425.511 0.650 50 20 ICGD CCn1cc(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 759606771 RXEZFNZYFHYRHB-UHFFFAOYSA-N 432.912 0.704 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3c[nH]nc3C)ccc21 761158661 YNQGOCGWOMMZGL-UHFFFAOYSA-N 428.453 0.449 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 763569916 CRUMZJNELVJDFG-KRWDZBQOSA-N 442.403 0.878 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 763804396 MPDQIGYEDHDDMB-UHFFFAOYSA-N 427.373 0.644 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@H](C)O1 763838748 UIKWQIIKCHOQLD-KBPBESRZSA-N 445.451 0.999 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763864201 GVHNGQCEPNREIT-LBPRGKRZSA-N 437.391 0.831 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 763917055 OHIWZYMHRIGBEL-UHFFFAOYSA-N 431.416 0.307 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 764015995 CAGRPUIEMQOISZ-UHFFFAOYSA-N 443.441 0.649 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 764232127 RKDIKWAQGBEPRO-YFKPBYRVSA-N 431.685 0.670 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)c1ccnc2c(C(N)=O)cnn12 764271076 HWXNHVLZKWAYSR-UHFFFAOYSA-N 431.478 0.662 50 20 ICGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccncc3)cc2Cl)CC1 764354271 OUXUWRTUXDWUIG-UHFFFAOYSA-N 430.896 0.815 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc(F)c(F)c1 765119160 RQHMPBXKBMKAPX-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 768262463 HOEQWGFRCJQDRY-UHFFFAOYSA-N 438.491 0.466 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C(=O)N1CCCC1 771007138 YPVBWSWUECKUOO-SNVBAGLBSA-N 436.412 0.142 50 20 ICGD CCOC(=O)c1cnc(C)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 775057547 ULPHWIYUXYKXBB-QGZVFWFLSA-N 443.412 0.711 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)ccc1S(N)(=O)=O 775226803 VZNBCDRQAOBNHE-UHFFFAOYSA-N 444.473 0.678 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cnn(CC3CC3)c2)ccc1Cl 777596907 FUVUCJZXIPUBHJ-UHFFFAOYSA-N 433.899 0.217 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)COc2ccccc2C#N)c1 782770007 SCPIDGBQOMNJQZ-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)n1 785061224 UYONVUZMEBYTHQ-UHFFFAOYSA-N 432.444 0.860 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cn1C 785330106 FAXGEKAQIGPBQY-UHFFFAOYSA-N 438.462 0.696 50 20 ICGD O=C(COC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)NNC(=O)[C@H]1COc2ccccc2O1 785790910 DUPTUSJEAGWZBO-GLKFPVFTSA-N 444.362 0.873 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cccc1-n1cnnn1 789810207 KXLCIPUZONSJTJ-YJBOKZPZSA-N 435.444 0.629 50 20 ICGD COC(=O)Cc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 792410792 ZYUPXUDPLPWSIH-UHFFFAOYSA-N 435.462 0.514 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccn1 806972890 QCEZPNJFNOKDIY-UHFFFAOYSA-N 426.477 0.388 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806979235 WOHOTTVQRQTFQF-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)c2)C1=O 807235040 GVPWFKAKMLTHQJ-NRFANRHFSA-N 442.476 0.364 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNc1nccc(N2CCOCC2)n1 810558601 BUQMHHAWKKMQKK-UHFFFAOYSA-N 428.421 0.013 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1OCC(F)(F)F 815691598 VINPKNCPZZKEAO-NSHDSACASA-N 440.382 0.876 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 848979892 PPDFMUHDYPNGJU-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)ccc1I 864231800 SOHINFHHMZGJOY-QMMMGPOBSA-N 439.036 0.315 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(C#N)n1C 914505199 SGNIEWWSNLVAQQ-VGOFMYFVSA-N 425.474 0.866 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914833397 FISRHUQLIVKNSM-JSGCOSHPSA-N 440.547 0.439 50 20 ICGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)COc1ccc(Br)cc1)n1cccn1 918690338 YOKPBLWKFWFZNV-LBPRGKRZSA-N 438.282 0.891 50 20 ICGD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883549 BJFWDFMKXMKGBG-DTWKUNHWSA-N 437.305 0.629 50 20 ICGD Cc1ncc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 920043821 PGVQCILHHDJCGP-UHFFFAOYSA-N 425.540 0.609 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)c3nnc(O)c4ccccc34)CC2)CC1 1115926255 QCPHWZNSKSIZMN-UHFFFAOYSA-N 427.509 0.838 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1319183265 HZIREWNQFYNLBJ-UHFFFAOYSA-N 431.493 0.158 50 20 ICGD COCC(=O)Nc1cccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1321554776 OJVJYXGIUCOVDM-UHFFFAOYSA-N 441.492 0.809 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1 1346621443 VOTMHBDFTKBFOM-HNNXBMFYSA-N 435.502 0.803 50 20 ICGD CCc1ncsc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032220 GUHPGYTUMRYXPR-HXUWFJFHSA-N 444.517 0.461 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780363753 ANGZCIXXGPZKIX-BXKDBHETSA-N 444.183 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781543018 DSBYTRBYIYAMCX-SCLBCKFNSA-N 427.841 0.998 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1781997795 JBNIBKLVRSBFON-XWCIJXRUSA-N 443.346 0.617 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782286082 UGAVFPNOYHTGJF-NRFANRHFSA-N 439.302 0.667 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc21 1782307748 XOHAPUFCLFSHTB-DEOSSOPVSA-N 448.284 0.253 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783345110 XSAZRNXCZYYEOO-DIFFPNOSSA-N 441.282 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnnc3ccccc13)CCO2 1783934619 JCNLSKCJBAGELA-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)OC(C)(C)C)[C@H]2C1 1784781265 CBXCUARFDICXEQ-JYJNAYRXSA-N 440.541 0.071 50 20 ICGD CN(C)c1cccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1785058680 ITISYQVPPZLGNB-FZDIXFNVSA-N 439.940 0.711 50 20 ICGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984345 GYZWDIHHNZPQAS-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD Cc1ccn(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789386994 HKSJVNNEXXCRPD-WBAXXEDZSA-N 440.504 0.239 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1789866602 UXHFIDCICSQRGS-KQIWDBKYSA-N 433.292 0.717 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1791055768 HRFMCKZXOIHXJJ-YRNRCURDSA-N 428.327 0.584 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792120239 GVKHWANZFIEKPV-AJNGGQMLSA-N 433.933 0.481 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Br)c1)C2)[C@@H](O)CCl 1792980581 MBIUQYPYOFNBOY-OPDFLTKYSA-N 432.702 0.647 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cc2NC1=O 1792980757 MKSMNBOHOGGNQL-MGGIWROYSA-N 437.880 0.209 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793630707 QPAKBCMFXNRUKL-AICCOOGYSA-N 431.917 0.185 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793982738 RJSZZGFWGRWBJO-ZFHGCVPZSA-N 437.880 0.174 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796892295 VTPKOZYAIYXMDI-PNEZKNQNSA-N 442.436 0.704 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1Cc2ccccc2C1=O 1797186799 STSOHOQXTSKYFI-YNVMFWSZSA-N 449.935 0.876 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CC1 1797271788 SLBFOKXJMYHKQR-GNXNZQSNSA-N 441.410 0.231 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2ccnc2c1 1798105555 ZAGPFUPSEWXFGR-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374643 ISWHFZRHOOLJAG-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810305622 NOWPFPVHRINJLB-QIIPPGSGSA-N 426.477 0.435 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1 1813067589 ATXDERVMKBWYGI-PGRDOPGGSA-N 430.553 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1813071815 XXODQKLCLZWKJQ-UTKZUKDTSA-N 440.504 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1 1813660581 KGOVGYODNVQXRI-YVXJGENVSA-N 429.521 0.353 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc(F)c1)CC2)c1cccc(B(O)O)c1 1815349972 BIWLQSSLPVHGOD-CQSZACIVSA-N 440.265 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(=O)oc1 1816642756 GWHHMONDWZULLQ-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cn[nH]c2)[nH]n1)c1ccc(B(O)O)cc1 1817470432 BHHLHWGVDVJZIG-GOSISDBHSA-N 436.281 0.751 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819446337 OEQKGJSTYBUIBH-DNVCBOLYSA-N 439.589 0.904 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820150029 XJKNFQBICAGYFA-RYUDHWBXSA-N 436.538 0.119 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820198359 YBMNZQLBOILYBK-GVXVVHGQSA-N 432.930 0.460 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414305 ROILCEPUBKYSAK-CYBMUJFWSA-N 432.485 0.967 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053393 MGLJHIOMZCPRLZ-YWZLYKJASA-N 429.326 0.124 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828974143 QNDKRWYHYMJVDS-SCTDSRPQSA-N 431.961 0.511 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831655393 XZZLVEUMLPBDSL-KUHUBIRLSA-N 428.917 0.906 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)c(=O)nc1O 1832771904 JHLPUNZTDWDDBF-JKSUJKDBSA-N 440.928 0.477 50 20 ICGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C(Cl)Cl)CC3)CC2)CCC1=O 1833691263 PJLCUZQWTJQCLK-UHFFFAOYSA-N 432.352 0.970 50 20 ICGD CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835879584 FBIQWJLEIKTYFL-QAPCUYQASA-N 434.375 0.862 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)C1 1839067278 LJLFFFKTFMUEHD-JJRVBVJISA-N 436.322 0.475 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839142362 NFWYCTNEWKXWRO-HZMBPMFUSA-N 448.797 0.815 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nc1 1839200203 DIPWRFBTSGHSCK-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839242816 LOQLMDDPGWYARX-LPHOPBHVSA-N 428.917 0.279 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843522856 ZGERRESXDUYZHP-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847567707 BUTUKBGTGNRTOL-OWSLCNJRSA-N 425.888 0.674 50 20 ICGD Cc1ccccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727349774 IUWJBYLDCQOZKO-UHFFFAOYSA-N 439.515 0.639 50 20 ICGD O=C(COC(=O)CCNC(=O)C1CCCCC1)NNC(=O)[C@H]1COc2ccccc2O1 728341269 BPQWDBGQFVRVCS-QGZVFWFLSA-N 433.461 0.604 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 728972083 FUARZLCWCWQJNC-ZDUSSCGKSA-N 446.476 0.307 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 730813802 MUWMQAJMTADDQY-UHFFFAOYSA-N 441.487 0.221 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 732082267 CAQCQPGJEGONHG-UHFFFAOYSA-N 427.433 0.858 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)C2=O)cc1 732262191 RODOXYCPGVBCAL-ZMPRRUGASA-N 445.520 0.409 50 20 ICGD CO[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(F)(F)F 733659847 NBCRCLCMKBHERZ-LBPRGKRZSA-N 440.448 0.221 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741207378 VRSIUJJSHVZARH-UHFFFAOYSA-N 434.493 0.909 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cccc2ccccc12 741703083 VVONBJMPFMJEKT-UHFFFAOYSA-N 440.437 0.856 50 20 ICGD CCC(CC)[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1CCOCC1 742036386 JYKRPDUIBVTHFX-INIZCTEOSA-N 446.957 0.885 50 20 ICGD COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(NC(C)=O)c1OC 742474559 TWSZQDBZGJEEQD-UHFFFAOYSA-N 439.428 0.984 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 744737846 WYVDSRKKFZBYEO-KRWDZBQOSA-N 427.461 0.790 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1 751620423 TTZGPLMNGLZPGQ-NSHDSACASA-N 427.552 0.607 50 20 ICGD CC(C)n1cnc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 753950482 PZZJKKSRWIUEMN-UHFFFAOYSA-N 434.522 0.232 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c1 756682022 FNDLILCJJHNLHL-UHFFFAOYSA-N 438.441 0.896 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNc3ccc(C(N)=O)nn3)CC2=O)cc(OC)c1OC 757402121 HCGRJTHZBIIJTE-SNVBAGLBSA-N 430.421 0.098 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757802693 AOIXIHIDIOHGBU-OCCSQVGLSA-N 446.551 0.492 50 20 ICGD O=C(c1cccc(CN2CCOCC2)c1)N1CCN(S(=O)(=O)CBr)CC1 758522397 HGUZQEXKTDXSDH-UHFFFAOYSA-N 446.367 0.959 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccnc2)ccc1F 763492546 ZENVJPZIYIUPQF-UHFFFAOYSA-N 437.453 0.697 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 763659749 QECUWLLUXRIVQR-UHFFFAOYSA-N 435.458 0.405 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763717273 UIDOZFPBECAJDC-UHFFFAOYSA-N 439.472 0.939 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764042727 LJOKTCDJNKFODR-UHFFFAOYSA-N 432.458 0.635 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)n[nH]2)cc1 764109718 APZGITLLHCLWTL-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764197595 FSBQRKLRHINXQN-MRXNPFEDSA-N 432.477 0.223 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)c2ccccc2c1=O 765366718 FUSFSXXTQKGTFS-UHFFFAOYSA-N 437.456 0.803 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765399291 SQPYNTKBFZPRAF-UHFFFAOYSA-N 435.481 0.577 50 20 ICGD O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737128 WRBBRVOUYKICKP-UHFFFAOYSA-N 438.484 0.606 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccc(C)nc3)CC2)cc1 766637159 ZBVMYKYBZCRHLJ-UHFFFAOYSA-N 445.545 0.395 50 20 ICGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643713 ROPMHFHAZKDYLO-IERDGZPVSA-N 438.484 0.820 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1 768621164 HVHFVJRJGGRRFC-UHFFFAOYSA-N 442.453 0.809 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(O)ccc2Br)n(C)c1=O 769821253 VKVFLGMFDZPGIA-UHFFFAOYSA-N 435.238 0.052 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)nc21 770359399 BAQRGJOUISYISR-OAHLLOKOSA-N 430.444 0.908 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 771214126 GURYDVCQRSPZHW-INIZCTEOSA-N 433.424 0.910 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1Br)N[C@@H]1CCS(=O)(=O)C1 772376397 SOOQOINJPITWAY-SNVBAGLBSA-N 442.295 0.766 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)nn1 772844234 MFJVNQWGUKKJER-UHFFFAOYSA-N 447.927 0.763 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 776061252 GLAFVRVDHSRIIE-UHFFFAOYSA-N 430.446 0.441 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)ccc1I 778561934 XDYNSEIYGDINHJ-UHFFFAOYSA-N 427.220 0.542 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 780973780 GRAFIAHUALYXEX-LBPRGKRZSA-N 444.510 0.424 50 20 ICGD COc1cc2nc(C)sc2cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003012 ZIPLTFBFGUDNEU-UHFFFAOYSA-N 431.430 0.722 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 784004200 KIYGZHFKKYLBFB-UHFFFAOYSA-N 429.311 0.132 50 20 ICGD CCC(C)(C)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 790604678 SZAIXKXXWJPITM-UHFFFAOYSA-N 441.492 0.974 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2[nH]1 792351098 OWVBLQNTNNAZEU-KRWDZBQOSA-N 437.412 0.453 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(Cl)cc1Cl 793449038 XRJGKSLNPFPAEI-SSDOTTSWSA-N 434.261 0.855 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cccc2c1CCO2 796991327 CGUDITOCPJFRQJ-UHFFFAOYSA-N 437.500 0.920 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 799468009 NAAMECZEWPEJMZ-GFCCVEGCSA-N 449.555 0.164 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 802033712 KXQKABSEBFHEBW-CYBMUJFWSA-N 448.461 0.665 50 20 ICGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCC1 804867700 ISTQQIOGCQCDBA-UHFFFAOYSA-N 431.540 0.281 50 20 ICGD CN(CCn1cc(Br)cn1)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 808801216 MTOUVBXOGBUPLW-UHFFFAOYSA-N 425.243 0.947 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 810563443 IRTJCIBXRIIGLV-UHFFFAOYSA-N 443.432 0.883 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814652250 VDRDFMZOKJPYCS-GXTWGEPZSA-N 443.464 0.375 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c2ccccc2c1=O 824060530 SDAMVKSCJJNQFH-UHFFFAOYSA-N 447.517 0.330 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 915874507 JFPXJAXJNJVXKY-QGZVFWFLSA-N 425.507 0.816 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC2=O)cc1OC 918707279 OQGVKTPQNPPCRE-GFCCVEGCSA-N 432.399 0.988 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccc(F)cc2)c1 919689049 SQOMYIAYVZNLDR-UHFFFAOYSA-N 436.465 0.657 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 919822904 SBDUTDKHPHRTSW-UHFFFAOYSA-N 439.515 0.781 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 920049311 JVCGJNCEEHHSPJ-UHFFFAOYSA-N 448.505 0.596 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212554 PFSFGXQIVKWBFO-BCFZYGEVSA-N 426.539 0.227 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)NC1CC1 921183692 STDSNZJLANVFQE-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD NC(=O)C1CCN(C(=O)C2CCN(C(=O)NNC(=O)CCOc3ccccc3)CC2)CC1 1115916657 BDGTWKSPRSSZMU-UHFFFAOYSA-N 445.520 0.632 50 20 ICGD O=C(NCc1cccnc1N1CCOCC1)NNC(=O)c1csc(N2CCOCC2)n1 1317793321 SNJZPNMZKIPMGT-UHFFFAOYSA-N 447.521 0.356 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779692368 HGMCVCWZPIDRIU-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccc(O)cc1 1781258072 DWLIMFBYRSFKFZ-MWTRTKDXSA-N 438.289 0.319 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331548 NAQPGRXUNWECHS-JOYOIKCWSA-N 435.168 0.612 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331618 URLBHIPVWNGRMH-HUBLWGQQSA-N 435.319 0.533 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1783968614 CAGRMZPVFXAZKR-OSFYFWSMSA-N 443.342 0.605 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)C[C@@H]21)[C@@H](O)CCl 1784085261 DVIJKTOHMKILJR-JAQSECSASA-N 435.908 0.759 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784097233 WPUGAHJYIREKOR-JONQDZQNSA-N 447.960 0.871 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784980875 BDBQMIRVOQAPHO-ABHRYQDASA-N 443.342 0.748 50 20 ICGD C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)NC(=O)OC(C)(C)C 1787465349 SHOAUWRYFISYCU-YXMSTPNBSA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21)[C@@H](F)Br 1789925494 QLZNEJMVYUMKQG-WFGGJUAMSA-N 434.306 0.669 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654800 ANUANMAHJMKCNG-AYDFFVQHSA-N 440.884 0.754 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790744181 BBBIFHOETCAVOI-XDQVBPFNSA-N 437.356 0.328 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)c(=O)[nH]c1C 1791056769 AHAHORCDGYQVHF-HYNSBDGHSA-N 441.326 0.763 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)nn(C)c3C)[C@H]2C1 1791637691 GPIOCDGJZJIFQA-OWLYRPNTSA-N 426.945 0.813 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1 1792233512 RVHQPKCSMNHPOG-XEHJXZTKSA-N 436.317 0.763 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(B(O)O)c1 1792473269 BJBANZDFSMKUHQ-REPLKXPHSA-N 437.261 0.769 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1795114865 GTMVSSZXBSXCEP-ZSBFGKGUSA-N 436.310 0.646 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1795115744 KOOVYKPOZVTJNL-BZBKMWRSSA-N 431.205 0.467 50 20 ICGD COc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750484 BHWJFXOGRCKYDV-DPIQGUFMSA-N 445.501 0.272 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1NC(=O)C2=O 1798209349 GGIXVWDYKGALMO-BTTYYORXSA-N 441.488 0.446 50 20 ICGD Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1800604810 IDYVLRUPSQLABR-BBIADKPPSA-N 430.549 0.809 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1800641890 LSWLAHFAHIDSSZ-OPDFLTKYSA-N 435.388 0.234 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1800644500 WOVPBPOLWSIPTD-ZWUHOBOKSA-N 427.299 0.619 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccnc(OC)c1)C2 1800974149 NBVOPUHFAJETCY-RCJHGTSTSA-N 425.913 0.866 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804066432 RNQPCRCRFXXDAB-BCDXTJNWSA-N 445.325 0.533 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(C)C)[C@H]1c1cccnc1 1806457617 ODNQREJXZHAXAW-YVIKVBFHSA-N 439.520 0.783 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3nccc4nc[nH]c34)C2)CC1 1810691702 WJGYGMSUFNCALV-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(F)nc1 1810692896 ULVIGGUGERCTEA-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813297633 KDJVLEBWXDAHOU-SGMDADPQSA-N 445.288 0.518 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343801 PXKHABMKCFMQBC-IUODEOHRSA-N 444.322 0.850 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403697 BEFDGDISFFMBBT-MRXNPFEDSA-N 442.480 0.240 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1821497510 NJRQWMAHWXHJDL-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCOC1 1823466086 POCNFOONUVPPFW-YJBOKZPZSA-N 426.282 0.822 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826827626 PUSJJSVKPRDIFK-HSOLMKNUSA-N 444.540 0.223 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n[nH]1 1830359216 WOVKFRUJPZSPIJ-LJQANCHMSA-N 426.901 0.947 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(OC)c1 1830732083 QXTPQOKAMLYISC-OXJNMPFZSA-N 442.896 0.374 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020125 NSCUCCQSCSXERQ-DLBZAZTESA-N 438.308 0.131 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831657639 PSNBDESFNRANGO-KXBFYZLASA-N 426.901 0.719 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834163334 FBEPJIFWOBQQRX-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1834414580 GDXVFIYUGLITNX-KRWDZBQOSA-N 429.315 0.758 50 20 ICGD O=C(c1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834588373 NJFGWOJTDICHDY-BBRMVZONSA-N 432.246 0.548 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798638 SXECACOHFBIUSN-JTSKRJEESA-N 441.381 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)o3)CC2)CC1 1834835431 GFOANCDYQUBXMI-MRXNPFEDSA-N 427.933 0.746 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835079644 KNAWSMPVOKSURB-GDLCADMTSA-N 447.964 0.895 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398701 QBQJMSDUWLPIQO-ZWKOTPCHSA-N 438.352 0.011 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837311925 QFFUWUIOXWAYPE-GCJKJVERSA-N 436.553 0.584 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837475523 IREJTTSTBYTJGH-YWZLYKJASA-N 439.944 0.998 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1839145941 RNIJGZOABGCFSU-TWOQFEAHSA-N 425.913 0.883 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839151769 CTOVNAJZLQWHIY-QZTJIDSGSA-N 438.352 0.011 50 20 ICGD O=C(c1ccc(O)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200691 PKDVTZPCRFIJSM-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840152342 FWLFPBSMCOMHOC-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1840154518 YDZHCWLBYDANSE-DNVCBOLYSA-N 429.876 0.853 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cccn1 1840443124 XFAKOIHNNAKWCG-XJKCOSOUSA-N 433.278 0.591 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840483139 RMWDYAMZNOLCEO-HXUWFJFHSA-N 437.569 0.516 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1O 1844945322 AGLHOIWTZSVWJB-UHFFFAOYSA-N 425.445 0.530 50 20 ICGD Cc1nn2cccnc2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 108934728 ZDHIRFXTMAFYDM-UHFFFAOYSA-N 428.474 0.897 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)cs1 728954178 SNCSMOAXHLHYJZ-UHFFFAOYSA-N 434.503 0.684 50 20 ICGD CN(CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 729612347 CZLUUYGIQMIWOX-UHFFFAOYSA-N 443.526 0.748 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CCc3ccccc3O)cnc21 730032324 PISHXAWFTHNFKI-UHFFFAOYSA-N 449.265 0.378 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CN(C)CCN1C 732238319 TZCGVFVTWFBRHH-TZMCWYRMSA-N 428.331 0.793 50 20 ICGD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308017 QVGONKBJJONTHC-CABCVRRESA-N 427.548 0.429 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 733143145 BHKAGQVPQFVUOH-YJBOKZPZSA-N 449.577 0.903 50 20 ICGD COc1ccccc1OCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117136 OOJUFALTNUUCMJ-UHFFFAOYSA-N 435.506 0.548 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(Br)ccc1O 743732510 YVRHEQRTLHCRSS-HBJVGIJOSA-N 438.234 0.078 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 744384078 DVCVNDAPXWCRNY-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)cc1 744562200 XPUQLGVQJDJIAU-KHPPLWFESA-N 442.453 0.453 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2C1 746512679 UPSKLSQHUSZFGB-ZDUSSCGKSA-N 443.595 0.394 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 751260409 KMFRCTYWRPAULK-UHFFFAOYSA-N 449.514 0.751 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 752241139 SHMXPRDHWCQHRI-OAHLLOKOSA-N 433.446 0.913 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H](OC(C)(C)C)c2ccccc2)n(C)c1=O 754080261 RZQJQFACIFJTRR-MRXNPFEDSA-N 442.476 0.138 50 20 ICGD NC(=O)CC[C@H](C(=O)NNc1ccc(C(F)(F)F)nn1)N1C(=O)c2ccccc2C1=O 755193339 DKVAOXYCHGEROQ-LLVKDONJSA-N 436.350 0.869 50 20 ICGD CCc1cc(NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccn2)n1 755797082 COEHALVMCOOIGW-GFCCVEGCSA-N 430.494 0.645 50 20 ICGD C=C(C)COc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756326786 LLTIHZUUQJVXAD-UHFFFAOYSA-N 441.448 0.242 50 20 ICGD Cc1ccc2cccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2n1 756424975 XDCCPCCOZSEVTR-UHFFFAOYSA-N 436.432 0.143 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(OCC3CC3)cc2)n(C)c1=O 756551404 ASDKFORWODWTNZ-UHFFFAOYSA-N 441.448 0.075 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O 756636585 FEGFHHINLZMROG-UHFFFAOYSA-N 433.494 0.502 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccn(CC(=O)N2CCOCC2)n1 756661132 YCNLTALYVWZIPE-UHFFFAOYSA-N 440.258 0.299 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)c(Br)cc1F)[C@H]1CCS(=O)(=O)C1 756929921 MLJVOJCQDBHPKP-LURJTMIESA-N 433.252 0.472 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 761072166 KTMUHEYEQUJNIH-UHFFFAOYSA-N 429.477 0.632 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc2O1 763856197 DQVYAGXMFAPOBY-GOSISDBHSA-N 435.440 0.398 50 20 ICGD CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 764002882 VHTUYROQDLJAIF-SNVBAGLBSA-N 444.897 0.599 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 764078630 YXFBFUIPOUCNKK-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764155136 WHCKWSRPMBQEGV-FZEVHQGJSA-N 445.497 0.671 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)c3cc(Br)ccc3O)cccc21 764280723 RZTLAJKJEXVQOY-UHFFFAOYSA-N 449.217 0.999 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)nn1CCCOc1ccc(F)cc1 764292552 FDELNRWZBWXMFE-UHFFFAOYSA-N 443.439 0.851 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCCc2cccs2)c2ccccc2O1 764339336 KGWXNUWUDRXEJH-MRXNPFEDSA-N 430.486 0.758 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 764345704 ULHWENCCJGPDDZ-KRWDZBQOSA-N 425.445 0.760 50 20 ICGD COc1nccnc1NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 764484184 NBMFUCJPYZBKES-UHFFFAOYSA-N 433.494 0.698 50 20 ICGD CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766635811 FXNUDAUWCDXOHY-HKUYNNGSSA-N 443.548 0.629 50 20 ICGD CSCCNC(=S)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 770240018 LLFVUHDIJXLJJU-UHFFFAOYSA-N 440.663 0.958 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c(C(F)(F)F)n1 773526794 CMDKWPYGFRNELX-UHFFFAOYSA-N 437.176 0.940 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C 778440732 BYKVISQPKJKMMT-UHFFFAOYSA-N 428.511 0.839 50 20 ICGD Cc1cccnc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1ncccc1C)N1CCOCC1 781592448 FLSRWEIDEWHCMH-FQEVSTJZSA-N 437.504 0.785 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 783426901 KTAARGRZONVACO-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD COC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2o1 784005353 WZDYFBVCDJRAFK-UHFFFAOYSA-N 444.425 0.797 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797000518 SNZPPXVUOZMDBE-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD CCOc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 799922671 NJPVJQHQTJIGMI-UHFFFAOYSA-N 446.529 0.853 50 20 ICGD COC(=O)c1cn(CCNC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)nn1 803644751 RJDPGMLCUTYJIP-UHFFFAOYSA-N 437.460 0.852 50 20 ICGD Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806467859 MUDOUCKBSWIJHM-NQBHXWOUSA-N 436.498 0.320 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 810105377 AHKSHCKFTLFRGJ-MRXNPFEDSA-N 435.506 0.348 50 20 ICGD CN(C)c1cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 810219774 MQEYTXGLOMQOEO-UHFFFAOYSA-N 433.494 0.794 50 20 ICGD O=C(NNS(=O)(=O)CCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 812269347 RMSFUXVGDSFZQV-LLVKDONJSA-N 425.326 0.377 50 20 ICGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc2ccccc12 812889801 WCRCMIOJOMQCHG-OAHLLOKOSA-N 432.502 0.819 50 20 ICGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 813365602 LMNNJMKIBVWPJY-KRWDZBQOSA-N 436.472 0.828 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)cc1 814968113 OYBMFBBFFRBGKI-UHFFFAOYSA-N 444.473 0.649 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(N3CCOCC3)nc2)cc1OC 825643569 DSKLAPWTCAYHTD-UHFFFAOYSA-N 444.444 0.553 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 845944653 RTTFILZYLQFUOF-UHFFFAOYSA-N 447.469 0.562 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O 915059849 ZDCUZCHTHFRMIN-UHFFFAOYSA-N 432.444 0.957 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 916562654 ROZQGXLYUAKBBM-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN4CCC[C@H]4C3)nc2)CC1 916573738 OHYNMPAWSCURTB-CVEARBPZSA-N 437.570 0.271 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 916646890 UOCHNUAJPNFCBG-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1[C@]1(C)NC(=O)NC1=O 917717919 ZITLEOOMTAXADV-SFHVURJKSA-N 436.421 0.512 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 918758212 AVACRVDFDLBSCK-NSHDSACASA-N 435.437 0.595 50 20 ICGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 919818920 WUUGLUVUJIKFTQ-UHFFFAOYSA-N 436.450 0.427 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 1317870910 XGPGCOZUJPJYDM-UHFFFAOYSA-N 443.508 0.132 50 20 ICGD COc1nc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779744759 NVXIMHSCFMETLR-OAQYLSRUSA-N 433.509 0.215 50 20 ICGD CNCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780097102 QBLBKJSESVMOTE-OAQYLSRUSA-N 448.476 0.963 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780363770 ANGZCIXXGPZKIX-SKDRFNHKSA-N 444.183 0.958 50 20 ICGD C/C=C/C=C\C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781731694 SUSXUOAYFXMILT-CURBXFPRSA-N 427.505 0.945 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1782439934 FMARDNYGQSVZCN-HCLVMJGWSA-N 439.321 0.557 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])CCO2)C1 1783875806 TZORTLYMGGHOOJ-KZULUSFZSA-N 442.856 0.696 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1783967076 AOANQKLKKIVCNM-UGUYLWEFSA-N 432.359 0.329 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21)[C@H](O)CCl 1784093448 ZGIQODGFRVBAFX-QEYWKRMJSA-N 425.795 0.017 50 20 ICGD CCc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981067 OKCAVAVVRWJPAM-IEZWGBDMSA-N 441.293 0.132 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749654 VDWJTTGYHXBKFH-GGOFEBJYSA-N 441.377 0.780 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1791254965 YKQBTQOPIYIUBE-AJNGGQMLSA-N 428.942 0.802 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)[C@H]1SC(=N)NC1=O 1791295548 MLOHFNTWFPHOGJ-AJBSGBCOSA-N 437.349 0.572 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791296331 QQZNWJRFGMIGGL-ABHRYQDASA-N 443.331 0.983 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1794404841 PNGNUMVYESKGKG-JLUCKKNBSA-N 433.889 0.364 50 20 ICGD Cc1scc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1C 1795737574 XGPHCXQKHOPOFX-HGKCTWBKSA-N 428.319 0.562 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CC1(F)F)C2 1796445542 CWLOBNOYDYCFOR-RLFDMKJRSA-N 437.447 0.755 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443624 OXKBJKRGRUXHGU-LVQVYYBASA-N 425.493 0.470 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800400763 SKVBGKVZNZZARB-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1800642435 HTLGFSUEPXEXFV-LMWOUKEDSA-N 426.311 0.762 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1800643460 SOCBUPFGNAGQFJ-OQMKEHIESA-N 427.299 0.006 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1800978634 XYBXPKRLQJZWNW-LOUJCGABSA-N 436.900 0.198 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cnccc13)C2 1801011675 VRLIGJQWVOFARS-FAQVEIGNSA-N 439.516 0.811 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)C(Cl)Cl 1801015933 QZAYRSQUMVQZRC-XHSYRHOGSA-N 445.303 0.386 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803143142 VHHWPAVINIWAGS-OIISXLGYSA-N 431.880 0.721 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1806343400 VVHGBZFFNWAFOH-KCQAQPDRSA-N 425.283 0.981 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363861 BZYJDCOUUNPQHM-IWTFSIHTSA-N 449.316 0.649 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369668 RKKNIRGJVAMFCE-PZJWPPBQSA-N 430.273 0.790 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808453201 OZSRLHYDIOZLSL-FXAWDEMLSA-N 446.552 0.233 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598587 FIDNXSSVROYGST-ONGXEEELSA-N 441.286 0.737 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1ccnn1 1822416878 RXCDKUBUXOITBK-HIFRSBDPSA-N 431.501 0.628 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCNC(=O)C2)n[nH]1 1822484981 KYRVBUCDFUBDDN-HIFRSBDPSA-N 433.513 0.301 50 20 ICGD O=C(Cc1ccc(O)cn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822889930 BSHMFNMKGWVJTI-LJQANCHMSA-N 449.276 0.739 50 20 ICGD CN1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)C1 1823000897 UVKLFAJYZKHHLL-MRXNPFEDSA-N 426.481 0.276 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1825647494 PBSNQDHBIYAMGW-BDAKNGLRSA-N 441.307 0.764 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733837 UYTUUMDZPITRMC-UZLBHIALSA-N 429.945 0.061 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312332 QFEZWJJOSZPTFC-CZUORRHYSA-N 433.933 0.719 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833509768 XIWKYWSRQNNDIW-WBMJQRKESA-N 447.261 0.246 50 20 ICGD COc1cccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1833778133 VWZWRXFRVJOVSK-SFHVURJKSA-N 438.956 0.804 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1834084209 JGQCWAKEPWAAAC-CZUORRHYSA-N 431.262 0.546 50 20 ICGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)c1cccnc1 1835078625 PQVKJEQNKHEDMR-SFHVURJKSA-N 439.919 0.917 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835445960 WXPBWCSLMNEKOI-HXUWFJFHSA-N 443.617 0.017 50 20 ICGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccc(Cl)c1 1835724605 NRDHJMRDJCFKMK-BXWFABGCSA-N 446.331 0.396 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931291 LSRNLYQLFRUMIE-JOCHJYFZSA-N 430.310 0.183 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3noc4c3CCCC4)CCO2)C1 1836429983 JIFBAMGDFJIDHC-QRWLVFNGSA-N 441.912 0.877 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C)CC2)CC1 1837688014 SZMYCIFQUYPNBV-LFVJCYFKSA-N 446.552 0.681 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150737 WEFFMTOWMYBVKI-HOTGVXAUSA-N 445.365 0.114 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533400 KEKCYMYKOPFJRA-ACJLOTCBSA-N 441.326 0.683 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839624043 OPXCPIQIIRXQNA-SUMWQHHRSA-N 429.811 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840153345 LJYABNUEGQJOPC-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@H]2OCCc3ccccc32)C1 1841553028 PUUUDOJAFXHBEP-OAQYLSRUSA-N 434.301 0.888 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014734 WDOHMASPMLAHEK-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD CC(=O)N1C[C@@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)Oc2ccccc21 12701914 NDCBRFJQIAJHSH-INIZCTEOSA-N 445.501 0.863 50 20 ICGD Cn1nc(C(=O)NNC(=O)COc2ccc(N3CCCC3=O)cc2)c2ccccc2c1=O 17193385 WLLBAMFQESQHTO-UHFFFAOYSA-N 435.440 0.900 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 725871561 DKZSTZNHQJMTMX-UHFFFAOYSA-N 447.517 0.883 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCC(=O)N2CCc3ccccc32)c2ccccc2c1=O 726281363 OPENGVLGZCIXMQ-UHFFFAOYSA-N 434.456 0.950 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845946 QUDODIGVOKORCG-MRXNPFEDSA-N 438.554 0.435 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)s1 729298123 SJCIPQGUIVABIH-UHFFFAOYSA-N 434.293 0.998 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2 730584375 VJIBGNWMKBIYTP-UHFFFAOYSA-N 430.596 0.912 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSC[C@@H]2CCCCO2)CC1 735117007 KTTPVLJFWSSPNL-HNNXBMFYSA-N 443.595 0.763 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742481566 ZLJHEYOONFRKLI-RGCFKVTRSA-N 445.472 0.798 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)o1 744719501 TUACDNGDTNBWQT-UHFFFAOYSA-N 448.457 0.846 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)nc2-c2ccncc2)cc1 745835596 QKONFMHXUGUDII-UHFFFAOYSA-N 442.501 0.872 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746166657 CIAOALCCUNNLNC-INIZCTEOSA-N 426.433 0.660 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)CCOc3ccccc3)CC2=O)c1 746185211 LEVFPSIUTFPQJI-AWEZNQCLSA-N 446.485 0.303 50 20 ICGD Cc1c(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(=O)n(-c2ccccc2)n1C 755321373 UCYQXZDAMJZCJY-UHFFFAOYSA-N 433.432 0.927 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 755535755 RARLSWYOFGUIQE-ZDUSSCGKSA-N 437.478 0.791 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN=Cc1cc[nH]n1)c(=O)n2Cc1ccccc1 755556335 VCPUTHHXWACOLJ-UHFFFAOYSA-N 448.487 0.937 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)co1 755843035 XTOHSFXDENHNEX-UHFFFAOYSA-N 428.492 0.728 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cc(C)n(CCC#N)n2)cc1 757830678 KNZQFRGVSVYQOV-UHFFFAOYSA-N 433.494 0.887 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 759431239 LREBXIACKSZEHC-UHFFFAOYSA-N 432.930 0.465 50 20 ICGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2C1 763803226 FOIGYHGFYFCRMP-OAHLLOKOSA-N 428.401 0.873 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763850605 OQJKUJIOBQSAHK-JTQLQIEISA-N 431.359 0.494 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763867309 ZNZBLUQVBYVKRC-TZMCWYRMSA-N 428.420 0.983 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1N1CCCC1=O 764162765 GAKRQUDPNVCZJR-SFHVURJKSA-N 438.440 0.912 50 20 ICGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766635815 FXNUDAUWCDXOHY-PKOBYXMFSA-N 443.548 0.629 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 769769550 NLDXIWYRDKTBEQ-STQMWFEESA-N 446.620 0.956 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1 773479116 WYWCGFSEBXSGQH-CYBMUJFWSA-N 428.449 0.857 50 20 ICGD CCO/C=C(/C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773652493 QTQZBVGJGXGSOT-SEYXRHQNSA-N 431.492 0.351 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(Br)c1 784002002 HXQBDERHJRLIRB-UHFFFAOYSA-N 439.222 0.567 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003463 GTSRPADVTDORJN-UHFFFAOYSA-N 436.446 0.290 50 20 ICGD C[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CO1 784018867 ZUVYYXRZNJCBIU-GOEBONIOSA-N 425.507 0.213 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1 784833837 RLUWDPGBBVVUNE-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 794082133 ZVFUJGMKSUMLCA-UHFFFAOYSA-N 433.309 0.954 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cn(C)cn1)c(=O)n2Cc1ccccc1 794476952 VFKNHMSFGPYGOJ-UHFFFAOYSA-N 434.460 0.312 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NNC(=O)c1cccs1 795845966 HWZTWXODNVWCJC-MRXNPFEDSA-N 447.391 0.684 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797673460 FAWPZBKFPXWLFS-UHFFFAOYSA-N 435.462 0.803 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 812429207 GSOFBVQNVXQJLR-NSHDSACASA-N 440.453 0.780 50 20 ICGD COc1ccc(-c2[nH]ncc2C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 812456611 LVROXODCLDUXSQ-UHFFFAOYSA-N 429.462 0.120 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(C)c3nccn3c2)c2ccccc2c1=O 815565804 AUCDWZNLEZNQPK-UHFFFAOYSA-N 433.428 0.772 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 815778714 CRSPBCHMPBGNTR-QZTJIDSGSA-N 440.504 0.903 50 20 ICGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912918663 ASGSSDGKCPKTCU-HOTGVXAUSA-N 440.566 0.976 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 913176945 QPNYRONWODIHNO-UHFFFAOYSA-N 440.522 0.856 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914749731 ZRXHUZGPEDKBDS-LBPRGKRZSA-N 441.437 0.668 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 916378342 LQWMRVRHDWSIML-KRWDZBQOSA-N 445.398 0.978 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 916562757 YPPUHRWLQOTIEE-UHFFFAOYSA-N 432.502 0.985 50 20 ICGD O=C(COC(=O)Cn1cc(Br)cn1)NNC(=O)[C@@H]1COc2ccccc2O1 917315449 BYLLTZGMLPGYAT-ZDUSSCGKSA-N 439.222 0.176 50 20 ICGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 917388369 YWDCPFICPYKUJZ-AWEZNQCLSA-N 430.552 0.346 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C)nc3cc(C)nn23)cc1OC 919530618 ZYHUDPQPQKLBSS-UHFFFAOYSA-N 427.417 0.981 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 919788664 SQVKQMGRIMKNAI-UHFFFAOYSA-N 434.412 0.174 50 20 ICGD COCCOc1cc2c(cc1/C=C(/C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)OCO2 920760277 ZTCQQVOCYQSMPE-SDQBBNPISA-N 428.401 0.210 50 20 ICGD O=C(NNC(=O)c1cnn2ccncc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 1324972684 IRTJVELLVKBDTE-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 1353486662 ORFRHJRVGJCWRD-CHWSQXEVSA-N 439.465 0.713 50 20 ICGD COc1cc(OC)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780663496 JYVCLZRDVGBSBQ-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781214022 OAJFBVRDOAKHGP-KDOFPFPSSA-N 429.926 0.946 50 20 ICGD O=C(CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCCC1 1781325286 BACYFUYWPDMJFL-NVXWUHKLSA-N 434.306 0.909 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1783935235 QXOFFRVQWRCHRK-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092210 JMIZMRQVCPNJAD-UGQVUOCMSA-N 430.958 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc(OC)n3)[C@H]2C1 1785201463 NBTVWJQBKUYINJ-HJWJTTGWSA-N 425.913 0.866 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789871845 LHWOEJAOLMVZIM-MRHIQRDNSA-N 439.409 0.686 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)o1 1791720566 UUHJLXNITXVMDZ-VDGAXYAQSA-N 426.278 0.104 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1796394684 ZBSJMIVFNLDBFV-ZUWCUPBKSA-N 437.896 0.650 50 20 ICGD NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799348906 QYIOXUCFVJCCNV-DJBIQUGXSA-N 428.258 0.679 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(F)c1F 1800667100 HUCATORFMKJNKP-USGNIVHTSA-N 438.475 0.470 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cc(Cl)ccn1)C2 1800976824 JTHVRGRBFQGTOS-IFOZYUSPSA-N 432.304 0.957 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1800977031 PHCLYTVECPMGLF-AYRXBEOTSA-N 442.303 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncn2C)[C@@H]1c1cccnc1 1805817728 JSDLQFANUQKPHK-UZLBHIALSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365536 YCUHJDRMSTYZBO-WIYYLYMNSA-N 446.272 0.028 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1808417719 OENRRLMJPOHXNK-MNTZXMNTSA-N 449.475 0.653 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1808661387 KOMFEWYSZJKOFD-MRVWCRGKSA-N 436.303 0.823 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1809468985 WMWBGVAOBCCMPL-SCELWYEFSA-N 442.520 0.630 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1810313112 ZCFHRIXVKUBHNV-UXLLHSPISA-N 441.985 0.825 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@@H]2c2cccnc2)CN1 1812644251 XMNHUOVGSLFROF-VIRABCJISA-N 427.274 0.914 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070255 FKRRJAPNAYWNOG-KXBFYZLASA-N 443.508 0.653 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813598174 IMVOHMBBMWPJPO-UGKGYDQZSA-N 438.337 0.421 50 20 ICGD CNc1nsnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814435018 SUPPIRAOULKQTG-LBPRGKRZSA-N 449.541 0.982 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)cc21 1814871936 DPUATQRKHRNNOW-UKRRQHHQSA-N 449.899 0.645 50 20 ICGD Cn1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339366 BCKPLONVBKVALH-CQSZACIVSA-N 439.306 0.025 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820953262 ALXILIRWWGTHGR-IRXDYDNUSA-N 439.281 0.016 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1 1822415126 UIRZWUNSHWDZDZ-HNNXBMFYSA-N 433.469 0.569 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCOC1 1823464750 GUBWMESBAZVBQB-QAPCUYQASA-N 426.282 0.822 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824445123 JMQNHYBVOOBBTG-IUODEOHRSA-N 430.339 0.389 50 20 ICGD O=C(CCBr)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824900742 HZXGMBIFIBOCGP-CQSZACIVSA-N 443.342 0.943 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827567462 VHNRIRAFPAYJAQ-DLBZAZTESA-N 438.573 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC(=O)C2)CC1 1828926132 ZZPFRALKNCZEFH-LJQANCHMSA-N 427.505 0.898 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1830358466 WCDKDAYBCCDPPB-KXBFYZLASA-N 444.985 0.734 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725794 MBHVPSCCCJELQA-KNQAVFIVSA-N 447.919 0.833 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487733 MOMLWRRYLXCFMO-WBVHZDCISA-N 448.402 0.676 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831640924 STMLSLWRBPPENT-RVKKMQEKSA-N 438.974 0.531 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831645754 GFXBHHOOBLUASB-AUUYWEPGSA-N 427.885 0.970 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OC)cn3)CC2)CC1 1834316754 FONVHVHMGWXBDP-INIZCTEOSA-N 439.944 0.924 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3)CC2)CC1)c1cccc(B(O)O)c1 1834801524 SSXUXGMQKRUDAQ-FQEVSTJZSA-N 445.394 0.447 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1834820325 YPRKXZZYMGCMLE-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834823405 SJYZGSHWHOVJPJ-HNNXBMFYSA-N 446.258 0.173 50 20 ICGD C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1835531928 LZXYGEQVFQHZFJ-RWSPSULHSA-N 448.470 0.923 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836864811 OZNWUBFYDRHAFP-KRWDZBQOSA-N 444.337 0.570 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839111904 PBEACRZUNFQAPZ-JOCHJYFZSA-N 445.520 0.502 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839142460 PQPLRXZNHHQZON-QRWLVFNGSA-N 440.928 0.608 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839151768 CTOVNAJZLQWHIY-MSOLQXFVSA-N 438.352 0.011 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839196967 AWLCYGAMAMCRFJ-WOSRLPQWSA-N 438.294 0.048 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031440 QBIUSIMIDUXFDM-YJBOKZPZSA-N 443.342 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1840153406 NWWGLIZRVTYWSA-FCEWJHQRSA-N 434.917 0.284 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1840185115 FZSDMTRKNHVTLT-LJQANCHMSA-N 442.900 0.376 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1F 1841160273 YSRPIJGISUWMKX-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010445 QJEGNCYOJYUYDD-FQEVSTJZSA-N 433.273 0.377 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846960796 DMBHKDDPCNRIQQ-KRWDZBQOSA-N 445.325 0.487 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)Cc3ccccc3C)CC2)n1 109956866 KTNDVRRDLZTUNT-UHFFFAOYSA-N 429.546 0.837 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728730033 XVFTYRQNHSZPDX-CYBMUJFWSA-N 446.551 0.279 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2ccc(C#N)cc2)c1 730023600 OVNTWRDRKYELSO-GFCCVEGCSA-N 444.473 0.438 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 730131246 PQDFXHRKBBOPMR-INIZCTEOSA-N 443.552 0.777 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cccc2ncccc12 732080712 MNTQIZKAAYNJLW-LJQANCHMSA-N 425.489 0.709 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 732261937 HCAQPCJHBFNOBU-TXEJJXNPSA-N 432.930 0.508 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CCn2c(C)c(C)sc2=O)cc1OC 734592070 BGAHHYHOVFRJLV-UHFFFAOYSA-N 437.474 0.938 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 741893390 ZGXJPBGHJSTTSN-UHFFFAOYSA-N 447.469 0.395 50 20 ICGD O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 742032287 DNHWRQPJWNAOSG-UHFFFAOYSA-N 448.476 0.688 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748241403 ZMNLKDXYHAJEIG-UHFFFAOYSA-N 426.495 0.109 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 748625807 VKPMNNNLNILGTN-HNNXBMFYSA-N 436.509 0.611 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1cccc(Cl)c1 749604472 WBJNSKDMMYEEAV-UHFFFAOYSA-N 425.840 0.979 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12 749890639 RIALUNHHPQAHSE-UHFFFAOYSA-N 430.432 0.807 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 752269209 YSSYSBBGAIWJSH-UHFFFAOYSA-N 439.812 0.850 50 20 ICGD O=C(CN1CCN(C(=O)c2ccc(O)cc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 754640081 QUXUZGJYEHKMIY-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 755279015 HZYRUWVEFYTCFZ-UHFFFAOYSA-N 427.433 0.479 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc(C(F)(F)F)nn2)c1 755293425 KULZJARVGCBWKH-UHFFFAOYSA-N 446.411 0.619 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)Cc2ccccc2OC)cc1 755862945 XXTNJIAOERKXJB-UHFFFAOYSA-N 428.445 0.922 50 20 ICGD C[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCO1 756085322 WMGJDPYMSNPEKA-SFHVURJKSA-N 426.495 0.221 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 756476626 SQJWSXGLOKXNRU-LLVKDONJSA-N 438.466 0.139 50 20 ICGD CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 756541138 CGCAZLQZEZSFCR-ZDUSSCGKSA-N 431.536 0.987 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 756613188 YOMJIRNTXPBSJC-JTQLQIEISA-N 438.466 0.616 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COCc3ccccc3)cn2)C[C@@H](C)O1 756837501 HMVUXDUDMKKKSH-HZPDHXFCSA-N 444.492 0.888 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)c1 756931664 WTRUNLHMMVOAPR-UHFFFAOYSA-N 434.398 0.690 50 20 ICGD O=C(c1cccnc1N1CCOCC1)N1CCN(S(=O)(=O)CBr)CC1 758526460 CUHBIEKBSYAGMP-UHFFFAOYSA-N 433.328 0.358 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cnc3c(C)cccc3c2=O)n1 760853298 XLJHAWMYIOSAIM-UHFFFAOYSA-N 429.458 0.403 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cnc(-c3ccccc3)n2)cc1OC 761571949 KYZPCCDBSYSDPQ-UHFFFAOYSA-N 439.428 0.967 50 20 ICGD CCc1ncc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 763373304 JEUBNWQGWVMOOF-UHFFFAOYSA-N 432.549 0.644 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc21 763446238 OYGYMSDGMOZGQR-UHFFFAOYSA-N 426.389 0.991 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)n1 763892172 VMTQHFANVWGTPC-UHFFFAOYSA-N 427.509 0.428 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1-n1nnnc1C 763918306 BFBXZJJANFQXLO-UHFFFAOYSA-N 427.396 0.447 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763949051 MQCKOBUXHADNOI-UHFFFAOYSA-N 437.412 0.693 50 20 ICGD CN(C)C(=O)c1cc(=NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc[nH]1 763967589 DYYCKKNHSKJVDK-UHFFFAOYSA-N 429.502 0.935 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c2ccccc2O1 764118233 ZDIOZBIDQDSTBW-HNNXBMFYSA-N 433.804 0.774 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764268422 RYWFDHUOHHHAGI-UHFFFAOYSA-N 433.490 0.487 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(F)c1I 764297301 NQKFFMJMHNXGHX-UHFFFAOYSA-N 431.165 0.482 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cn1 764357811 BITDBZTZIGWKBI-UHFFFAOYSA-N 446.467 0.952 50 20 ICGD CC(C)=CCOc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765725960 WXXDSXCWBUXBMM-UHFFFAOYSA-N 440.460 0.240 50 20 ICGD O=C(Cc1cnn(-c2ccccc2)n1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636111 JROCRFKIKOLYAQ-UHFFFAOYSA-N 447.499 0.415 50 20 ICGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766663143 JKBBYFMEYAAPOS-GOSISDBHSA-N 435.956 0.864 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2ccncc2)nc2cc(S(N)(=O)=O)ccc21 766792074 NDGKKTHDCBTFTK-UHFFFAOYSA-N 430.490 0.883 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2=S=C(c3ccco3)C=C2)CC1 768093365 JCNSTXQQXLNLKF-UHFFFAOYSA-N 447.542 0.750 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518862 HGEOFZIJLPGYJF-ZDUSSCGKSA-N 441.410 0.759 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1F 771140165 DHNCFLPMFNNTQZ-UHFFFAOYSA-N 432.411 0.729 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 771191707 QNLWROLWNXIBDX-VIFPVBQESA-N 434.400 0.982 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 773416620 CNPPURKXLVSYOJ-HNNXBMFYSA-N 429.481 0.999 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2S(N)(=O)=O)cc1OC 774785691 FFXHSOOVKYAWOF-UHFFFAOYSA-N 443.459 0.031 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)sc(C)c1CC 783428691 YYSQUVOEWWGRTH-KRWDZBQOSA-N 431.536 0.932 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 784003472 XLZZFLDPMLMPSB-GFCCVEGCSA-N 438.868 0.464 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 784065057 YUKBPSUBSGKDGT-UHFFFAOYSA-N 446.514 0.830 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1S(=O)(=O)N(C)C 784845602 DTSBTLJPVVZVNP-UHFFFAOYSA-N 437.478 0.821 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785061243 VCNYACACVLMWLG-UHFFFAOYSA-N 436.428 0.928 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786417601 SFURWQMSAUJLHF-SNVBAGLBSA-N 446.913 0.543 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(F)(F)F 790051940 BSEINHXMTUCJIU-UHFFFAOYSA-N 449.363 0.825 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799373926 SFJQIXIWROINON-UHFFFAOYSA-N 442.444 0.790 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2sccc2S(N)(=O)=O)c2ccccc2c1=O 799456941 XCEIQIDQYXAIGJ-UHFFFAOYSA-N 435.487 0.761 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccn3)CC2)cc1 802064340 NIWWFRYKDOSVBG-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD COc1cc(NC(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)c(OC)cc1Cl 802080210 QQKFCBVJPFOQJR-UHFFFAOYSA-N 435.890 0.425 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1ccccn1 804028658 RCRYNMVRQFLXII-UHFFFAOYSA-N 447.517 0.566 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2F)ccc1F 806972702 HOZOMZUEUKYPOJ-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 811790976 QIFKTGUZJFMABB-LBPRGKRZSA-N 442.384 0.713 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1C 812551966 PMWYRCBOKZMJKL-UHFFFAOYSA-N 445.457 0.532 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 812729530 OHZPUQNGGCZAFN-UHFFFAOYSA-N 446.576 0.847 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 815691986 GWNDVTDNNFUJAV-INIZCTEOSA-N 432.440 0.858 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNc1ncncc1F 815764295 BHCBKEHROGCRQB-UHFFFAOYSA-N 440.457 0.783 50 20 ICGD O=C(CC1CC1)NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 819126690 UEXDXKVKDGGQHE-UHFFFAOYSA-N 434.474 0.522 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1ccc(F)cc1 913391782 AZNGETGAHJHTAL-UHFFFAOYSA-N 427.480 0.915 50 20 ICGD COC(=O)c1cc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OC 915890751 FDWKCPBXJKMQDG-UHFFFAOYSA-N 439.428 0.873 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c2ccccc2c1=O 916126888 RLKCWTRZRDYZLY-UHFFFAOYSA-N 447.448 0.668 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2 916516265 IGYCMGVDCUDJQK-UHFFFAOYSA-N 434.474 0.521 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1251654354 YORMZTJMXPVHLA-CQSZACIVSA-N 439.310 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778016181 KEJUDDJTCQZKPC-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD Cc1c[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778199723 QLXGJYJNCAJEKW-DENIHFKCSA-N 425.294 0.444 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780596408 LVWKRQWHFOQFEF-YUYGLALOSA-N 432.359 0.254 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1ccco1 1781330869 IIHBVBWYEBARLA-CZUORRHYSA-N 432.246 0.530 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C[C@@H]21)[C@H](O)CCl 1784090088 QKTLDJHCIHGAHI-WTDIUWLJSA-N 442.303 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365445 YEZCNMXOCBQWIE-MNQDVBFDSA-N 426.477 0.644 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786405689 AKDVIMSYWUUORZ-DRZSPHRISA-N 428.283 0.871 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21)c1cccc(B(O)O)c1 1786981844 BUPYNXUKCSESDQ-KNBMTAEXSA-N 439.277 0.139 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21)[C@H](F)Cl 1787448651 DSYLDIRHUPNQIX-NHULGOKLSA-N 444.916 0.406 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788637845 FVZSGBMPOSMLBI-ATIWLJMLSA-N 446.928 0.868 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1792956332 KXYQQSVVPAIMSX-OIBBZDHESA-N 430.929 0.545 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959011 XKTDFEGUPSKXLZ-MVWRLGRASA-N 443.331 0.637 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cccc1F)C2)c1cccc(B(O)O)c1 1795740313 RDNMXEBZXYROSK-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(Cc1cnc2ccccn12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187934 MWORTFMBAFGNHV-REPLKXPHSA-N 432.289 0.509 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(Cl)c1 1798877029 JHHFJJSEGWDQKQ-ZSBFGKGUSA-N 443.891 0.856 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800737112 DHFKMDULPIPQQM-CEGHFVKMSA-N 447.919 0.740 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1ccccc1 1800925305 IRFGAFYOOUBBAN-BKRRIZPZSA-N 449.511 0.692 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC 1800962494 ULADJSWMHSFASO-IZKTWJBDSA-N 428.913 0.585 50 20 ICGD CCSc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011853 LOTVADFWHWMEFF-CCWDJLKJSA-N 449.577 0.770 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195082 BXFDUYFHRUTHCA-TZIWHRDSSA-N 446.272 0.028 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814887538 YHIHUEKCBSUXRK-RTBURBONSA-N 439.325 0.880 50 20 ICGD O=C(CC[C@@H]1CCOC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347527 BYHBAWVUPKHUQK-CJNGLKHVSA-N 443.334 0.865 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350140 GBLJRDKKTYSWFV-ZBFHGGJFSA-N 428.323 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598576 FGRSSVOSYCXMHU-CMPLNLGQSA-N 426.861 0.207 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824469373 QJRMHMCROFZBAK-QGZVFWFLSA-N 444.598 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)CC1 1826629697 GOEUADCWLFRTNE-INIZCTEOSA-N 430.571 0.024 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1830533211 IFASJSLEZFTCCS-CRAIPNDOSA-N 432.359 0.570 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830739096 YNYTUTNYKXDKAB-UKVPQWCUSA-N 429.926 0.521 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1834826103 BFNHWMDLZHPORB-GOSISDBHSA-N 442.310 0.571 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875851 IIZHCVKFBGZYPJ-OAHLLOKOSA-N 442.362 0.418 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1835837839 PMFOIDBZQWOWQZ-INIZCTEOSA-N 438.645 0.936 50 20 ICGD C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837070861 YVPAIJIPEJSRIA-UHFFFAOYSA-N 446.378 0.898 50 20 ICGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837200784 RICLJVQHXXBZRF-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710240 QDMRSZBEUKKHMG-PXNSSMCTSA-N 438.601 0.827 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1Cl 1838308607 QFBRPXQCCBUCBX-SFHVURJKSA-N 444.992 0.995 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)c21 1838437437 AOHJPRPFOLYQFN-KXBFYZLASA-N 440.859 0.883 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839151766 CSTUHKCWWDTSCL-HZPDHXFCSA-N 441.381 0.696 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152421 YRMDQMBOBFSFRM-ZWKOTPCHSA-N 438.352 0.451 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839215432 QSGMFAJFVVSAMC-DOPJRALCSA-N 436.336 0.300 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188509 NRABPWXWGYETRQ-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cc1ccccn1)CCO2 1840335597 OYRWPUATXQUKJP-PLMTUMEDSA-N 439.940 0.970 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840390268 XSQIQMLCCNJMQJ-QMTMVMCOSA-N 443.953 0.618 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458960 JIXZCJKCAQMHDS-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CN1Cc1cccs1 1841350335 VUQIOEKXISLRMY-DZGCQCFKSA-N 425.938 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2noc3ccccc23)C1 1843030901 ZEIUSEDGWJLZMJ-UHFFFAOYSA-N 434.456 0.886 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnnc3ccccc13)C2 1844264178 PSOUEFSBGIXRHI-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)COCCNC(=O)OC(C)(C)C)C1 1845154849 DMEKAIVDMCOSDR-CQSZACIVSA-N 433.933 0.985 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556330 IIXHMWMVTPIIRC-BYNSBNAKSA-N 431.917 0.424 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(S(=O)(=O)N(C)C)c1 727609716 NNMLJZOILFQYBK-GFCCVEGCSA-N 437.478 0.351 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 729275349 NVYZEYCTWICWAZ-QMMMGPOBSA-N 441.388 0.501 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 730370728 WPVYVKMEOMHFJQ-GFCCVEGCSA-N 434.449 0.877 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)C2=O 732260931 JFLLNYGEYOJOQP-MEWABEDBSA-N 437.541 0.524 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nccnc3Cl)cc2)CC1 734260885 XNVSGRSCOUKIGM-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccccc1O 735517898 GTPJBBKIWAZFMZ-INIZCTEOSA-N 428.493 0.707 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 741025537 GSUCWTNZXBTSSV-LBTNJELSSA-N 426.539 0.818 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(C3CC3)nc21 744641827 FQSSHSWVAKMQSG-AWEZNQCLSA-N 431.449 0.207 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(C(C)C)nc21 744645123 OWKGHAYHQAHPRT-CQSZACIVSA-N 433.465 0.453 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 744922717 SVFIAWQEUVFDEC-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)n1 745883320 OCDLSMFRVVGMHC-LBPRGKRZSA-N 431.409 0.233 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 749115666 AAUASHREJWLKRK-VIFPVBQESA-N 439.309 0.048 50 20 ICGD O=C(CN1CCN(C(=O)c2cccc(O)c2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 749160149 SNAKYXUEGDXHMO-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD O=C(CCOC1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753276486 KSIMFBDSXQPTFE-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 753292625 SJYVVBGBJWMCHO-APWZRJJASA-N 435.440 0.830 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc2)C[C@H](C)O1 755424523 VDPYNASCZBXDPR-STQMWFEESA-N 436.494 0.603 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756095218 MIYCNWYPSDNIIL-AVVLXZEZSA-N 430.436 0.731 50 20 ICGD Cc1cc2c(N3CCC[C@@H]3C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ncnc2s1 758043820 KYAOOIHPRGFQEY-ZYHUDNBSSA-N 426.524 0.054 50 20 ICGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 760133843 XEVKDKZXBKWITA-IRXDYDNUSA-N 440.522 0.609 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccccc2O)cc1 760196107 QGFZPWGUKMVAGW-UHFFFAOYSA-N 435.458 0.624 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3ccnn3)cc2)CC1 760559596 CMFMLDNAFNVGSG-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 763549322 XJWSOVAYTJLKLI-UHFFFAOYSA-N 446.441 0.355 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763727325 CEINHHVPCBXFSL-UHFFFAOYSA-N 436.472 0.755 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)cc1-n1cnnn1 764258140 VSLBVTCVQJUXMH-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O 764398228 QDWVCKYBTYGLOB-HNNXBMFYSA-N 430.461 0.342 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 764430261 UNNNAUFNXDPYFP-QGZVFWFLSA-N 427.413 0.545 50 20 ICGD NC(=O)c1cnn2c(C(=O)NNc3ccc(S(=O)(=O)C(F)(F)F)cc3)ccnc12 765010232 XQQVZETTZGPVBY-UHFFFAOYSA-N 428.352 0.879 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 765421969 WSAFBSARHCNRPM-HNNXBMFYSA-N 434.497 0.476 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 768267779 CGPBFXBSFBWIAT-LBPRGKRZSA-N 445.505 0.501 50 20 ICGD Cn1nnnc1CCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 772575900 INLXYNGQZCYOLJ-UHFFFAOYSA-N 447.463 0.099 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776052520 AMVHNZFIBVGVBG-HNNXBMFYSA-N 429.462 0.895 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 776076177 LASBZQBVCCEOPU-BEFAXECRSA-N 425.507 0.749 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc1 777941033 YENVGQHTBSGJIQ-UHFFFAOYSA-N 446.529 0.851 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n2nnnc2C)c1 778445495 OHVBPUZKCMLKMD-XNTDXEJSSA-N 431.453 0.660 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 782896197 CIYRATSUOZRHBY-UHFFFAOYSA-N 444.517 0.962 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cccc3c2CCCC3)cn1 783451571 PVLVJAOXQABXAD-UHFFFAOYSA-N 427.509 0.522 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(Br)nc2)cc1 784812505 PPESWAOTOAAOHA-UHFFFAOYSA-N 442.295 0.975 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(Cl)c1 802048161 LZEUGUAUZPWCOE-VXGBXAGGSA-N 428.898 0.837 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 803873119 UEOYVFOVTFSIHY-SWLSCSKDSA-N 437.449 0.678 50 20 ICGD COCCN(CCOC)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 804869387 ZQAQVYNTXXVXCV-UHFFFAOYSA-N 446.512 0.076 50 20 ICGD Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 806471114 FGAZUAONDNWZHJ-YRGRVCCFSA-N 433.494 0.817 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1OCC(F)F 806976568 GWCFTBRGAQITMJ-QMMMGPOBSA-N 439.824 0.505 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 807380567 XYSABHRLBYUDCI-QFIPXVFZSA-N 438.488 0.595 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)c(C)c1C 807382997 XYJSKIHVFZMHIL-UHFFFAOYSA-N 439.582 0.885 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 825769639 AKESOMGLXSWXRV-UHFFFAOYSA-N 426.882 0.886 50 20 ICGD O=C(NNC(=O)c1sccc1-n1cnnn1)c1cccc(S(=O)(=O)N2CCCC2)c1 915275416 KSKVCWOWOYPFNZ-UHFFFAOYSA-N 447.502 0.583 50 20 ICGD O=C(NCCCn1cncn1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916376268 GHEZBNYJHCPOIH-UHFFFAOYSA-N 435.510 0.487 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNc1ccc(-n2cccn2)nn1)C(F)(F)F 916377315 SRRRKXBMNHIKAE-HNNXBMFYSA-N 425.375 0.862 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 916516520 BEPXFTQAFFGFGO-UHFFFAOYSA-N 436.490 0.767 50 20 ICGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 917707115 MGKDDQVJMBSOPF-UHFFFAOYSA-N 442.501 0.973 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 919954577 OAPQLQAZCSXWDD-UHFFFAOYSA-N 432.411 0.729 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1783856879 DOGNANFADBNPJF-ULMVMLMRSA-N 428.913 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1783932855 HMXJYGNOZAIEPY-JOCHJYFZSA-N 428.533 0.921 50 20 ICGD Cc1cccc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783932978 NLPPILBMIPFBCZ-GLJAUCNMSA-N 429.521 0.606 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1783938112 UNPLICFIHRHDLA-NRFANRHFSA-N 436.484 0.135 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783944315 XECSAWFJEAKTIQ-MLCYQJTMSA-N 445.303 0.626 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784799768 PWWHATOPZPKAHR-VGWMRTNUSA-N 425.913 0.689 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785340289 SOUFUQXTVDWABC-IQUTYRLHSA-N 433.933 0.719 50 20 ICGD CCc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979962 UNSCNUFCEAMKSP-CUWPLCDZSA-N 437.305 0.231 50 20 ICGD COc1ccccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790952749 QAQJQTFTKAJNDX-BJLQDIEVSA-N 446.548 0.590 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C2)[C@@H](O)CCl 1792982827 QXRRZOZAFBELNG-WPVAHCMFSA-N 435.952 0.840 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794760593 USKUTPMVDCMHSZ-POKDIBPUSA-N 440.460 0.124 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398699 GQBKWRWNLGUCSI-QEOTZNIISA-N 439.354 0.715 50 20 ICGD C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439538 JGYMIHMKUYLXAK-YGADERNFSA-N 431.493 0.301 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1803715634 IAEQOGURMXGXRD-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805552915 SGXMVFJFRARWTB-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369347 HHOUEJBXJYFMRW-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374196 JQOHFOPLQFOXRX-ZBFHGGJFSA-N 436.104 0.885 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298262 HGROQCPDZLUTEB-KXBFYZLASA-N 448.487 0.447 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543609 KVBPNPSPKZVMJQ-UHFFFAOYSA-N 439.277 0.331 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810826562 ONFVWPHKRLISJZ-UWJYYQICSA-N 449.272 0.480 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1813070994 MZGXZEXFZDWNJE-MGPUTAFESA-N 443.508 0.213 50 20 ICGD COC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815360036 JNBGMMKEMQOIKS-CYBMUJFWSA-N 443.290 0.002 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1816781661 FQSJXJPJAMZNIP-BBRMVZONSA-N 444.330 0.837 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CC(F)(F)C(=O)O)sc2C1 1817095721 KVQBSILJRKNYBO-SECBINFHSA-N 447.464 0.538 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCO2)[nH]n1)c1ccc(B(O)O)cc1 1817470209 LSOCDOWZEUXRHO-ZWKOTPCHSA-N 426.282 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821706033 SUPYGEIPSRULKN-JTQLQIEISA-N 436.494 0.222 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825709045 NEXCPVUUWYCLIB-LJQANCHMSA-N 438.293 0.409 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830464774 SRYOMGWRZHPKKC-YLJYHZDGSA-N 441.311 0.748 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1830543913 HOAYQWCQQQXPQU-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830546579 RGHUKQGQLSUPOD-QAPCUYQASA-N 434.375 0.814 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735402 HLLYQQZIIKPGPC-APWZRJJASA-N 432.851 0.563 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945227 RLNTZCOENLTPFX-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cc1O 1833409833 NYILHPMZFGPVOI-IAGOWNOFSA-N 435.308 0.432 50 20 ICGD Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)C(Cl)Cl)CC3)CC2)n1 1835666887 IRIRZMQXGALVLM-UHFFFAOYSA-N 432.356 0.695 50 20 ICGD COCCCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836651824 OXXHTNBLZVZTBD-UHFFFAOYSA-N 447.536 0.724 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1837711234 ACVVUIUMCODUBG-HXUWFJFHSA-N 437.569 0.156 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838785648 JRALTUIZUMSAEG-MRXNPFEDSA-N 441.912 0.164 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838832307 VLZOCPJOBJNZBO-IFXJQAMLSA-N 428.917 0.906 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839197721 GOSWBMHKMZPZOJ-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839199099 JBQVZGQWFVKMOX-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840037144 UVPAJMZDZLGQPB-RNYZBBNUSA-N 439.310 0.730 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)C)C(C)C)C2)C1 1840152035 VFJATCUCDISNLA-ABSDTBQOSA-N 433.977 0.719 50 20 ICGD O=C(CCCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840510088 KIMOVNHXHSCPQY-YLJYHZDGSA-N 425.913 0.460 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840880963 VXKXJRCWSKHZQY-WWHDKEQJSA-N 444.843 0.807 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1O 1843012158 KIDITUHOMJZZKG-UHFFFAOYSA-N 437.261 0.161 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3cn[nH]c3cn1)C2 1843416142 FPRFFQKSROWUFN-DHRITJCHSA-N 434.460 0.909 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc3cc(O)ccc3n2)C1 1843665807 VRMROZWEQKBNKT-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc(Cl)n1 1844264515 ALKLCYSTJHEFQH-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n(C(F)F)n1 1844787351 VJEVWKIHYPOFEJ-UHFFFAOYSA-N 433.419 0.716 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2)c1ccccc1F 1845261474 NRGSGGCWFVWTSA-VQIMIIECSA-N 425.888 0.980 50 20 ICGD O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)NNC(=O)c1ccccc1 11364225 JKWQTHDJBPDQSN-INIZCTEOSA-N 446.533 0.847 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)CNC(=O)c1ccco1 725740339 TZNOIJMRYNHASU-UHFFFAOYSA-N 428.854 0.179 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 728211644 ZVKNNUIIHSNPKF-UHFFFAOYSA-N 440.503 0.297 50 20 ICGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215379 YKLKLCADJXYGFT-AWEZNQCLSA-N 425.555 0.617 50 20 ICGD CCOc1cccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)n1 730271777 CRLJHXANJLUAPZ-UHFFFAOYSA-N 432.506 0.835 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCCCN1CCN(c2ncccn2)CC1 730824797 FUTZNUZEVIWCLA-UHFFFAOYSA-N 443.508 0.494 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1-c1ccccc1 731597495 XUASZERJYCFUDV-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CS(=O)(=O)NC2CCC(C)CC2)n1 731733658 JLUQAAPZXXVKQH-UHFFFAOYSA-N 446.551 0.183 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 734242025 ODFJMTPMLIQSIV-FQEVSTJZSA-N 448.480 0.309 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478352 OLTBSYKBRVYDHM-GGSHGAKASA-N 437.452 0.917 50 20 ICGD CC(C)CN1CCO[C@@H](CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 745317773 WSDNLAYVFVQJJQ-HNNXBMFYSA-N 427.527 0.783 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1OC(C)C 746098570 KHVYHNVHYXLWKC-XPXIOPGQSA-N 445.472 0.794 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)o1 746396753 BXAPQSJLYPRKHN-UHFFFAOYSA-N 431.453 0.191 50 20 ICGD CSCc1noc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 746821407 JURRBBMYRSZNGL-UHFFFAOYSA-N 427.508 0.577 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 748011974 KOMTZQGUAXEYFZ-UHFFFAOYSA-N 441.510 0.377 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2cccc3ccccc23)CC1 749354473 VCYGTVPSVBYVLE-UHFFFAOYSA-N 433.534 0.290 50 20 ICGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)c2ccc(Br)s2)C1 753004445 RCQKLMNISXZZHO-MRVPVSSYSA-N 425.330 0.736 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1S(=O)(=O)N1CCOCC1 755544856 GJTNYDJTVFYMKW-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440159 RTXYSPSBDCPSGG-CWTRNNRKSA-N 425.486 0.549 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(I)c(O)c1 760867126 CUDGAOCSEJRUQQ-UHFFFAOYSA-N 429.170 0.781 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2ncc(F)cn2)o1 760906146 OBOZBBRFJUXKTR-LLVKDONJSA-N 427.414 0.682 50 20 ICGD CC(=NNC(=O)c1nn(C)c(=O)c2ccccc12)c1c(C)nn(CCS(C)(=O)=O)c1C 763139259 OBYIVVSIEKLPNG-UHFFFAOYSA-N 444.517 0.945 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1C 763680435 PLULANHFWRGLGF-UHFFFAOYSA-N 439.472 0.405 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cncc3ccccc23)c1 763717872 BLKGTVRVCGGLAY-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc12 763734590 LVAVUMPSTNSHHV-UHFFFAOYSA-N 435.444 0.201 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 763808721 PYZYSTKTIQUCDX-UHFFFAOYSA-N 437.412 0.675 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763871317 FTOPMEDUVUSBRM-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccnn1CCc1ccccc1 763916722 JUPUTONGQUZVPJ-UHFFFAOYSA-N 445.443 0.501 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Sc2ccccc2)c1 764234591 YOFDHRRWJXSSMJ-GFCCVEGCSA-N 436.515 0.861 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764239559 OPOBJIAWVOPFGG-UHFFFAOYSA-N 443.485 0.477 50 20 ICGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)n(C)n2)c1 764277625 LDKDGYDGHKMCQP-UHFFFAOYSA-N 439.428 0.966 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764288211 FYUYEXSNKHVMGJ-UHFFFAOYSA-N 438.440 0.760 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2)C[C@@H](C)O1 764335803 UARMEKDUDATAEE-CHWSQXEVSA-N 438.506 0.371 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1=O 764345881 LASRQRVUOJZNPR-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 767851651 RRJKOTRHCXCISU-UHFFFAOYSA-N 443.341 0.692 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1OC 770972467 IGKMDYNGOCPYMV-UHFFFAOYSA-N 436.450 0.393 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCN1c1nccn2cnnc12 771217081 RCEANGAGYSHDCQ-HNNXBMFYSA-N 446.475 0.875 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061858 PVFYMRCXNVKKRI-UHFFFAOYSA-N 433.490 0.888 50 20 ICGD C[C@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1 776158440 WWGVHTFBCMXKRT-ZSOGYDGISA-N 442.528 0.647 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)nc1 780376456 AFCBBKALCMONMP-OCCSQVGLSA-N 442.856 0.459 50 20 ICGD Nc1cnc(Br)cc1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 782360756 XPUZJEFGFUFCFL-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 784886155 ATTGTVONXPMGIX-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD CN(C)N(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H]1CCS(=O)(=O)C1 792853225 CNKKUNXOYBLKMA-WMLDXEAASA-N 449.533 0.029 50 20 ICGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794598996 RMLWGCYYBXKOGH-UHFFFAOYSA-N 439.446 0.919 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1cccs1 795169770 WYLBKLHBGCPGAK-UHFFFAOYSA-N 432.549 0.810 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] 797534597 APGVKRWSVKMHSX-UHFFFAOYSA-N 425.199 0.799 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C#N)oc3C)CC2)cc1 797938980 ABMWDILZFIQCHG-UHFFFAOYSA-N 445.501 0.536 50 20 ICGD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 802027162 VHCZYKGNHLYWRK-UHFFFAOYSA-N 426.462 0.829 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCCCC#N)CC2)cc1 805191987 VXARZHVXPJEJFH-UHFFFAOYSA-N 435.550 0.923 50 20 ICGD O=C(NNc1ncccc1F)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 806171355 FKBVVMWKDNYSIF-LBPRGKRZSA-N 443.482 0.835 50 20 ICGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917918960 JCZKWCACWNXABD-NSHDSACASA-N 436.943 0.396 50 20 ICGD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886388 WCEFUDJFRIICEC-BCFZYGEVSA-N 426.539 0.227 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cncn1-c1ccccc1 1252821852 GTWFNJYXULYEAY-USJZOSNVSA-N 434.456 0.623 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779231509 YTRREUPGIMONFH-WUZLCWIESA-N 427.929 0.589 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297101 RDQLSAUMQCDULA-MGPUTAFESA-N 449.584 0.276 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071274 FLNRVDRPYYZUHS-SJCJKPOMSA-N 425.898 0.784 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780802050 MJRCUARMCDREJC-DKZVUGQWSA-N 445.325 0.295 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccoc34)C2)C1 1782446996 IUNFWLXMKPVMJJ-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCCCO)cc3)C[C@@H]21)[C@@H](O)CCl 1784090838 DDXOJKBVWLYZEM-WNHJNPCNSA-N 440.924 0.641 50 20 ICGD C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978663 IRJQZSPMAPFOSY-IHPCNDPISA-N 428.338 0.952 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981184 XXRLAMKGPYAAPG-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787449032 ARYWQHYWOZHUDG-YOPIWALVSA-N 426.876 0.714 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccc(O)cc1 1789889457 WGTMQXNPEOUAFS-UHMOLFJZSA-N 446.548 0.848 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1790693802 BLTCJBZVTXHKNU-TYDTZWSASA-N 449.454 0.860 50 20 ICGD Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1791597941 LWKRKPKQOQAGEH-XSLAGTTESA-N 434.541 0.105 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410157 NBDDIOPQOOIMGO-DYNIEEOBSA-N 431.262 0.769 50 20 ICGD Cc1cccc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754037 PYFPCEGPSQCJFP-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)n1ccccc1=O 1799348989 FHSSSYGIEJRIOY-ZZVJUGKHSA-N 430.274 0.689 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1800978774 JTKCBAKNZKJIHA-NWJSVONSSA-N 440.909 0.213 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C)o1 1801473780 CTPOEFMWWWYOHR-OYSOCFBGSA-N 441.488 0.854 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801835683 CWZBTCZWEJURBM-BTTYYORXSA-N 446.508 0.462 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncccn1 1805776738 QLVSLBOMXIKBCW-MJGOQNOKSA-N 431.261 0.185 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805810838 IEPMWBKTTHXAQF-KXBFYZLASA-N 448.487 0.447 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cocn2)[C@H]1c1cccnc1 1806016990 IQAMJIGCZUSEJC-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340418 DELVAABVXAKDNH-JKIFEVAISA-N 440.342 0.465 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364232 STCWNQXGBQETFT-SESVDKBCSA-N 436.321 0.175 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n(C)n1 1813069742 BBRDJSIRPKXKDV-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)[nH]n1)[C@H](O)CCl 1814871339 MUPWBQIDVUIFCE-UONOGXRCSA-N 447.945 0.427 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815344235 OYARKZKRIMDIPM-CQSZACIVSA-N 439.306 0.323 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690954 CWKLKDHBXVICTC-RKDXNWHRSA-N 428.316 0.915 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235378 UZMCXGQVQOEPCD-PWSUYJOCSA-N 437.821 0.380 50 20 ICGD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)n1 1817608847 QTLISMLMDPSZHX-GXFFZTMASA-N 427.914 0.812 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCn2cncn2)n[nH]1 1822684133 RBGQVTKGBKSGDP-HNNXBMFYSA-N 431.501 0.457 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnc1 1826083910 VGDGVKOBOGFESO-STQMWFEESA-N 433.538 0.886 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827252151 WRKJOWXRZSCZTA-HNNXBMFYSA-N 430.339 0.389 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725555 PURZCYSFXHPHAB-KBXCAEBGSA-N 449.838 0.353 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733295 HZUMPKOAJHICQO-QAPCUYQASA-N 445.831 0.404 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831691099 XOEPSBOFAXFWLI-GOSISDBHSA-N 448.358 0.390 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833619848 IUZAKNDRWXZYDW-QFBILLFUSA-N 437.859 0.872 50 20 ICGD Cc1cc[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797499 PPSPKXWLYORDOG-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1834826469 QPYMGEGBDUGNJX-MPGHIAIKSA-N 433.343 0.779 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(N)=O)CCO2 1836484250 QQSIOOGCPZNBSD-OGHNNQOOSA-N 449.346 0.063 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836988700 JHPZWPRQWZFSRI-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD O=C(c1cnccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199633 REDXHBKYYZMKIW-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839743235 FKNYGLQCYONFSY-DHJRUUKHSA-N 448.470 0.923 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839995370 NSUGGMCJFHGVBA-PYEWKGIHSA-N 438.908 0.765 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840232383 VGMRGGYIMXWSSF-BVGQSLNGSA-N 436.336 0.205 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cn1 1840465644 KPDUFIDUBHGWQV-QZTJIDSGSA-N 433.336 0.655 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840647971 ONLSMUNRZPXUMD-OAQYLSRUSA-N 449.580 0.707 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2ccc(F)cc2)C1 1842687030 LDZRWVWIXOCYEG-UHFFFAOYSA-N 427.436 0.720 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416168 HUZRRKAINPBSQB-CXQBGCSHSA-N 430.509 0.629 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264248 YEYHHHLVANTVCA-GFCCVEGCSA-N 429.506 0.459 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccccc1-n1nccn1)C2 1844265063 RBUVHDFIXZPATN-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(Br)s3)cnc2n(C)c1=O 29385335 SYJDKHJHNNLUGJ-UHFFFAOYSA-N 438.263 0.531 50 20 ICGD Cc1cc(C)n2nc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)nc2n1 725853477 RKUHXRDLZCLSIE-UHFFFAOYSA-N 432.466 0.458 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1csc(N2CCOCC2)n1 730204731 AHWCOPPUSMNLHG-LBPRGKRZSA-N 433.465 0.933 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nc(C)n(-c3ccccc3)n2)cc1 731597854 UXYQLULJJWKUOH-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732262047 IDMOGACNZCCMTJ-GJZGRUSLSA-N 438.550 0.696 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 739666825 FIXUWYDRLKJCSA-GASCZTMLSA-N 444.579 0.928 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)/N=C1/NS(=O)(=O)c2ccccc21 742463010 JTIHYYWQSFJDCL-NSHDSACASA-N 431.430 0.873 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744471526 UPBMTNAZTMWWHE-UHFFFAOYSA-N 444.469 0.783 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C 745918971 PKQWTTVEFDWCKJ-CJNGLKHVSA-N 427.465 0.500 50 20 ICGD Cc1c(C(=O)NNC(=O)CN2CCCc3ccccc32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 746093695 LEULUAKOMDGNEE-UHFFFAOYSA-N 447.473 0.764 50 20 ICGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 746094873 UGCDGXRBIKALDG-UHFFFAOYSA-N 425.401 0.889 50 20 ICGD CCOCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 755559641 VZYPFWQDQLHQIN-CYBMUJFWSA-N 442.494 0.450 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)COc2ccccc2C#N)cc(S(C)(=O)=O)c1 757675098 ZSCXPVHWJFQTJY-UHFFFAOYSA-N 446.441 0.980 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 758046775 KCMRQAYEKJDZBY-ZETCQYMHSA-N 436.828 0.557 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 758740923 ADVLWYNYZYWMDT-ZDUSSCGKSA-N 430.502 0.985 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3cccnc3)ccc21 761138079 LAQWRTFLHQUTGI-UHFFFAOYSA-N 425.449 0.813 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2nc3ccccc3c(=O)n2C)n1 762413713 FFIPSAFFUFTYFL-UHFFFAOYSA-N 443.485 0.564 50 20 ICGD CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763573382 ZZYQRIAZAZLMOW-MRXNPFEDSA-N 446.847 0.968 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1=O 763678792 JQJSNVAHKODRMD-UHFFFAOYSA-N 441.213 0.452 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC)c1C 763683334 YMORFBBTESMJOF-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763812003 ALUNYGGIFUHTGM-UHFFFAOYSA-N 425.401 0.357 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n1 763890873 HKGMZUFZVZABHF-UHFFFAOYSA-N 440.382 0.578 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 763944076 LJYDJUJNFKSQJY-UHFFFAOYSA-N 448.439 0.893 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 763994604 FKTZFDKZBKJFDP-UHFFFAOYSA-N 449.309 0.929 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)cc2)C(=O)N1 764126358 IILQZHZXDIBOKM-LLVKDONJSA-N 444.831 0.651 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1 764185782 VZVZRKPESHUVGU-ZDUSSCGKSA-N 440.522 0.666 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764321337 VIYZHQBMVHBVMS-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Br)c(I)c1 764429887 PNVFDTUJPPOUON-UHFFFAOYSA-N 442.007 0.132 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3noc(C4CC4)n3)nc2)CC1 764468689 KOZWUCPHEUPZGR-UHFFFAOYSA-N 436.498 0.104 50 20 ICGD NC(=S)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765734623 AMEUZTGTLFGQJI-UHFFFAOYSA-N 425.514 0.540 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(S(C)(=O)=O)c2)c1 766555407 YSDLXVSDSSOSAQ-UHFFFAOYSA-N 431.517 0.477 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767290337 GSLDFWUZRLBEON-QGZVFWFLSA-N 439.534 0.822 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=S)NCCSC)C2=O)cc1 769767304 JBRMUCWXWGHTOB-QGZVFWFLSA-N 425.536 0.321 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1C 771605915 UGTKZAZIVJOCAP-UHFFFAOYSA-N 428.854 0.091 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 773495857 FXLLMWUYALDNET-ZDUSSCGKSA-N 432.477 0.513 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 775192139 OGWOZSSMKKKHLX-ZDUSSCGKSA-N 439.563 0.743 50 20 ICGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775457521 IWKDELKWPNHUTA-NVXWUHKLSA-N 440.522 0.467 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780908253 AWXWBIOBNHCATI-AWEZNQCLSA-N 441.423 0.752 50 20 ICGD CN1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2C1=O 787101006 RITBHNKGGRRYNS-QAPCUYQASA-N 439.424 0.386 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 788165311 BFEQCCARUBMIRY-UHFFFAOYSA-N 436.538 0.274 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 789331452 LSASCRIGPRRYFB-IAGOWNOFSA-N 440.522 0.609 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1nc2ccccn2n1 791245118 UPKUPDKYOYZWRF-UHFFFAOYSA-N 432.462 0.702 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 797369153 PGWPZCSMEDPPER-UHFFFAOYSA-N 437.416 0.484 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799259040 RQOIKSNXSJTNAT-NSHDSACASA-N 430.392 0.734 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 802117587 VMFCAWMYNJWBAA-CYBMUJFWSA-N 439.900 0.682 50 20 ICGD Cn1ncc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1I 815228112 OTCRUQSXULCNCA-UHFFFAOYSA-N 433.231 0.277 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1nc(Cc2ccccc2)cs1 815692707 YWABOYBIWJWPMH-ZDUSSCGKSA-N 425.474 0.674 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751763 NNIQNTKUWBEJFD-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 842150929 YAOHLRBCKFSDBL-UHFFFAOYSA-N 426.476 0.370 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)c1ccncc1 912768964 SABLLLWEZUGKNG-UHFFFAOYSA-N 427.280 0.974 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 915787676 HYYXBLOBGBIVOE-JTQLQIEISA-N 431.392 0.997 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 916383547 LSJOMBSUNNJHPM-UHFFFAOYSA-N 439.538 0.777 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1=O 917418239 LPZPURZMPGFJGG-UHFFFAOYSA-N 442.501 0.990 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 917758190 UKDBGEYKLJZELM-UHFFFAOYSA-N 433.895 0.919 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)CN1CCCC1=O 920825267 IRSKHFMFTRORFC-CQSZACIVSA-N 437.478 0.216 50 20 ICGD COCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 920862917 DVJBBLHIQZSUQK-ZIAGYGMSSA-N 428.511 0.465 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 1318775753 LEGTUHWKEVAQQQ-NSHDSACASA-N 437.400 0.589 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ccn(C)n3)CC2)cc1 1339439154 WMTNCHLZZLNWBH-UHFFFAOYSA-N 434.522 0.485 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197776 JOLIOZVEFZIIEJ-UGSOOPFHSA-N 439.310 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779449619 ROBVNFITJDXIOO-LJQANCHMSA-N 441.891 0.691 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780821379 OKNPCFZKUQHCLI-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780850593 XBTWGKRYOIYFPW-QHCPKHFHSA-N 438.289 0.522 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784518426 LUYZOZJDCAZMNN-UGUYLWEFSA-N 434.631 0.498 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C3CCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984917 YHTLZOHXZKIEPP-KKNJHFSWSA-N 426.322 0.706 50 20 ICGD O=C(COc1cccnn1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143462 HDLMUPFOCWPEQV-UHFFFAOYSA-N 446.272 0.983 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1ccnn1 1788143687 RMEXQRQXBNQQDR-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD CCOC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ccn1 1789337896 TUHUTRNXSYLYND-OTRWWLKZSA-N 439.896 0.451 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(O)c1 1791291022 XEDHFDVWKRQMJK-FNHZYXHNSA-N 448.520 0.367 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1)n1cnnn1 1791918680 JJHIAICTIJUVFX-ZDUSSCGKSA-N 449.475 0.681 50 20 ICGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NCc1ccccc1 1792975292 QAASFIRXILDOCG-URNUCZBASA-N 435.908 0.048 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794078945 IEQDLBBPDXHDFB-BJESRGMDSA-N 447.344 0.675 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2[nH]ncc12 1796157937 WPWYBKDHLAWUHI-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189977 OTQBCODZOWUHNA-BJESRGMDSA-N 447.344 0.675 50 20 ICGD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(C(F)F)n1 1797185544 PZHPJCPQWNLYIT-QDMKHBRRSA-N 432.236 0.603 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751641 KZOKLKAXBQWYMM-RCJHGTSTSA-N 427.505 0.657 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1798872070 ZBAGTGYMHHHMLA-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1)c1ccc(B(O)O)cc1 1799457372 IRTOXIZMULGVQJ-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1800641400 ANAYKKOCBMSUOC-AHDPXTMNSA-N 428.331 0.677 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1800979614 RMUQZHYMYGZAFC-YVSFHVDLSA-N 430.929 0.763 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC[C@H](C(=O)OC)C1)C2 1800981008 KPBMJBRHWHEJSA-LTAJLKHCSA-N 430.929 0.809 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(N)=O)NC(=O)NCc1ccccc1 1801666328 IOHWJOHNLAFVDI-BCDXTJNWSA-N 444.536 0.236 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365878 WPUOCTDKJSFIOQ-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293283 BWWMEUIMFSELPM-WBAXXEDZSA-N 426.477 0.171 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810434081 XPDWNAWVFCZXPB-BSIFCXSSSA-N 439.321 0.895 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)CC1 1814871733 AKIBKZBQRCCELZ-HOTGVXAUSA-N 440.932 0.166 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475234 MDWJRDDCMWJRFF-SFHVURJKSA-N 436.281 0.601 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(CO)o1 1819775793 BFYMJEVPDYGICS-QGZVFWFLSA-N 438.249 0.795 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819890696 KTEXDSZSQRULDK-FEUHOPSXSA-N 447.355 0.489 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1825647497 PBSNQDHBIYAMGW-RKDXNWHRSA-N 441.307 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826000609 YMYFNTABUHBHCL-DTWKUNHWSA-N 427.918 0.642 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322974 XIHVSOQOFDKVHW-VHSXEESVSA-N 426.882 0.234 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccnc2)CC1 1828925798 SJYDFZROILUWCM-LJQANCHMSA-N 439.520 0.815 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829344278 YBRWSLRAZNRPAX-QGZVFWFLSA-N 441.492 0.661 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358568 PKJURGHTQBTZAA-IBGZPJMESA-N 428.917 0.764 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1N 1830722907 JBVCJZQEOXYBAD-KXBFYZLASA-N 429.876 0.386 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731776 OWAGFMIWATWTHR-HNAYVOBHSA-N 439.921 0.966 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735660 LBQPZHOGYVAQEF-HUBLWGQQSA-N 427.723 0.216 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304437 IRSSQKKVWSNIPT-QRWLVFNGSA-N 438.912 0.658 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1834164825 FOENKSBVNNUOIL-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839604 NZCCVSVYWYYFIH-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921834 PIQSVGRGCHISGL-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3F)CC2)CC1 1838394813 ZTLUITURYFXRRU-FUHWJXTLSA-N 433.484 0.655 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149870 URNPPVVOPAANBL-WBAXXEDZSA-N 438.352 0.594 50 20 ICGD O=C(COc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199620 YKYDWIJPMAODEB-NVXWUHKLSA-N 446.273 0.607 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840151753 NBLJTPQHCCKPTF-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840155287 WEHCPHNTKRQQRZ-DOMZBBRYSA-N 439.734 0.624 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184819 CNLCQJDDZDIJHJ-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1C 1840186015 YQHUTBBIZCRXCC-QFIPXVFZSA-N 449.552 0.085 50 20 ICGD CC(C)COc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1843430210 MMVIPNOBUAIYJT-UHFFFAOYSA-N 437.305 0.927 50 20 ICGD COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 9931077 OSFGNADOBATFCR-LBPRGKRZSA-N 439.519 0.588 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 726076085 MNOMCFKUCDEOLC-UHFFFAOYSA-N 430.552 0.195 50 20 ICGD C=CCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 730125584 WQUSTEZAWXUERP-UHFFFAOYSA-N 437.570 0.294 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 732262201 RQGWRNKKKAUXHG-HUUCEWRRSA-N 429.477 0.718 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1C(=O)CCC1=O 733799804 HCJRFTRRIGPDBO-JTQLQIEISA-N 427.255 0.696 50 20 ICGD CCn1nc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)c2ccccc21 735724710 NKMHUQUTOLFHGM-UHFFFAOYSA-N 439.384 0.943 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1-n1cncn1 745412767 TXLOJWCTJLLUCR-SFHVURJKSA-N 437.412 0.720 50 20 ICGD O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)NNC(=O)c1ccccc1 745980508 BDSXQJFQLNATPL-UHFFFAOYSA-N 426.502 0.335 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 746292202 MEFWFQIWBVJLBX-UHFFFAOYSA-N 443.526 0.335 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2c1=O 748517043 NXIIWYQUOXLJQB-OAQYLSRUSA-N 434.412 0.063 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1 748791703 XXEZTYWUVDQYGF-UHFFFAOYSA-N 428.444 0.938 50 20 ICGD CO[C@H](C)c1noc(CN2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 750276130 OJQOVVXHOPATLI-CYBMUJFWSA-N 449.468 0.049 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)NCc1ccc(Cl)cc1 750289697 WOKDJWYWDQRXQV-UHFFFAOYSA-N 430.874 0.461 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nnn(-c2ccccc2F)c1C(F)(F)F 751061346 FRSLIPOOFJESLC-MRVPVSSYSA-N 435.359 0.621 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 753729746 HQLDQDLMINJNRS-MRXNPFEDSA-N 446.533 0.620 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)ccc1Cl 754847409 WXNPDTGCNFVCMA-GFCCVEGCSA-N 440.865 0.625 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755049549 OBYJGXOQMLJRJK-OLZOCXBDSA-N 439.494 0.101 50 20 ICGD CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NNc2ccc(C(N)=O)nn2)=NN1c1ccccc1 757403485 ADOHZIJWWDAQCB-HNNXBMFYSA-N 425.449 0.995 50 20 ICGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc21 760068347 LGAGNXXOPYAGKM-JOCHJYFZSA-N 449.471 0.499 50 20 ICGD COCCC(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760167256 ZYZLDRBZFOAKNI-UHFFFAOYSA-N 428.559 0.707 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2cccc(OCC#N)c2)CC1 760564620 WEYCVFFXZQFGIC-UHFFFAOYSA-N 444.517 0.606 50 20 ICGD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NNc3nccc(N4CCOCC4)n3)C2=O)c1 762857137 SGNYCLQODRVZAW-INIZCTEOSA-N 439.476 0.970 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)c2ccccc2O1 763521527 FYLPPKBGCJHINU-IBGZPJMESA-N 448.435 0.847 50 20 ICGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530951 LJOYVFLHMKQOCG-UHFFFAOYSA-N 440.504 0.779 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)cc1 763658811 CWQPCSHETKILDX-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 763757622 JLYYESKGPQOLJV-UHFFFAOYSA-N 441.492 0.408 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916945 LAQGAWVWQSREFL-UHFFFAOYSA-N 445.342 0.127 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764114931 HVYZVRBFMXOAIC-UHFFFAOYSA-N 440.865 0.696 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764263319 FEDVPPATTPAZDX-UHFFFAOYSA-N 436.516 0.942 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br 764270195 HOPJRXKSNMDQBC-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2c(c1)OCO2 764515295 OFVMJGWBBAXOIH-UHFFFAOYSA-N 426.433 0.095 50 20 ICGD CC(=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cccc(S(N)(=O)=O)c1 764829535 XIAPYIWLRVJUDP-UHFFFAOYSA-N 443.529 0.632 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 765373433 HFZSTJKJTFLRMP-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc(S(C)(=O)=O)c1 765388984 CWIRWQWWBKYRQU-UHFFFAOYSA-N 429.451 0.761 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccccc3-n3cnnn3)CC2)cc1 766648740 KLXXBIPFNRVGAB-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770947917 LCWMWVFKLNZDEB-ZDUSSCGKSA-N 448.501 0.241 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)nc21 771021455 RPOGXDAOMNNXMC-UHFFFAOYSA-N 433.450 0.316 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3c(F)cccc3F)cn2)C[C@@H](C)O1 773707115 FFKQWTJFYFLPND-TXEJJXNPSA-N 436.419 0.879 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)c1 776525845 KSAFMKIWEIFSIK-UHFFFAOYSA-N 427.504 0.772 50 20 ICGD O=C(NNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CCN(c2ncccn2)CC1 777508147 KOBTZDYFWGJPDI-CYBMUJFWSA-N 443.430 0.434 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCCC1 778437859 MLAFJNRRRMQANR-UHFFFAOYSA-N 436.513 0.752 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NN=c3cc[nH]cc3)cc2)C[C@@H](C)O1 783378713 LJXRUCWCUOKGDO-OKILXGFUSA-N 433.490 0.383 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 783428674 YIFGBBUOJFBNJF-SFHVURJKSA-N 444.941 0.959 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 784005185 SZNZGLPNEKPIMM-UHFFFAOYSA-N 433.421 0.288 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ncnn2-c2ccccc2)c1 787348208 OATGKSXNTVQMHS-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 789731434 HTEWKCDIARROIO-GHMZBOCLSA-N 428.536 0.569 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3c(C)nc4ccccn34)ccc2[nH]1 792355771 VQMWAVGEGUCNRJ-UHFFFAOYSA-N 433.428 0.883 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 793021603 GRIMZAOIUNCUCL-UHFFFAOYSA-N 425.376 0.148 50 20 ICGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)n1 793039620 OHKAWCGNIMAFHV-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD O=C(O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793450327 JLOZUXUNYGEGNX-VIFPVBQESA-N 444.267 0.311 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)CC1 795110933 XBRZTRBCNJLPRK-WWJAACJASA-N 443.573 0.855 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cnn(-c2ccccc2)c1 796435521 XOEVNKPFKLOFMK-UHFFFAOYSA-N 439.457 0.488 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N=c1cc[nH]cc1 802023595 XVIWHMSSUCMFRV-INIZCTEOSA-N 449.489 0.386 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 802024866 XNSZKMNZHGRHTI-UHFFFAOYSA-N 448.505 0.057 50 20 ICGD COC(=O)C1(CS(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 812507519 CYZMOIMSXBVVQB-UHFFFAOYSA-N 448.542 0.769 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033601 BCFQRZFMBCFJRB-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884022 PTOFQHGVQWJREM-KFWWJZLASA-N 449.556 0.214 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914459176 JCFXXZQXCCKWFC-MRXNPFEDSA-N 435.433 0.867 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)n1 915690852 SCIPUFPWLYPAIQ-AWEZNQCLSA-N 425.536 0.952 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885543 LLAAULNZNNUNOB-KBPBESRZSA-N 428.536 0.056 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 919886280 RCZXTPZKROKLRI-DOTOQJQBSA-N 436.534 0.673 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCNC(=O)c2ccc(F)cc2)nc1 919916026 AFBNNSCHMMCUPG-UHFFFAOYSA-N 438.485 0.964 50 20 ICGD Cc1nccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n1 1778315117 OENRXXQGPDDOEN-DYESRHJHSA-N 432.525 0.286 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872941 IBPCTBPWBDHZGM-APPDUMDISA-N 440.298 0.050 50 20 ICGD COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])c1 1781408117 GJHDOUSJWKAYDQ-LPHOPBHVSA-N 441.868 0.576 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1782001594 GCSQKTJYTWUJDW-HBUWYVDXSA-N 441.326 0.541 50 20 ICGD COC1(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CCC1 1782214593 VTRWLFOMVCCSPZ-DYESRHJHSA-N 438.569 0.833 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783499465 LRYRHEZAKOHKTN-ZXJYCPGTSA-N 447.919 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1783933480 LBIJTGPDIIXYMH-OAQYLSRUSA-N 435.500 0.356 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096007 QVFANHDRTXMTSW-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785215933 WTZBZJOPPXIZML-UBHSHLNASA-N 444.286 0.556 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785696156 ZDAURTUGDVGXGL-SFTDATJTSA-N 449.458 0.874 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1F 1786981207 YHUXMVKUDJAOQM-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984206 QLBZISVXIWMELE-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508729 JWWYLBWAQZJCCK-XNXDOXPPSA-N 446.552 0.474 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504042 SSCKWXWNRXROIL-CYDGBPFRSA-N 443.346 0.330 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cc(CO)on3)cc2)CCC1)c1cccc(B(O)O)c1 1790172552 HPNNUJBQQNHMGC-UHFFFAOYSA-N 435.245 0.908 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1791064836 MKCYKASFKINPIC-OIMDMXEBSA-N 447.919 0.476 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 1791256902 YNADUBLEJRGVAF-OWLYRPNTSA-N 426.945 0.813 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467327 UOOKZOXSPWRKBC-HLPPOEQASA-N 434.400 0.798 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792842469 VWXZRTJWRAGHFH-RUGDWHBFSA-N 445.325 0.531 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793630710 QPAKBCMFXNRUKL-ZQNQSHIBSA-N 431.917 0.185 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1n[nH]c2cccc(F)c12 1796189375 FKLNPCJEIBBSKZ-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796367248 CCEHNQRADZWOAY-XXUMUBMXSA-N 437.896 0.386 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1F 1799570426 NOIQLOUIZCAQPI-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799828996 KMKHSDVQKXBIOU-OJXGSEEGSA-N 427.841 0.412 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800157215 KZEILBLJCVZZDD-OPDFLTKYSA-N 440.335 0.046 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)C1 1801051898 JRAXHAOZZIGPMX-ZRKYPZEGSA-N 449.907 0.482 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807074654 XBDVJOGITMJXGA-DZLUEKEQSA-N 438.337 0.454 50 20 ICGD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807512358 CQUCSFWQOWPBLM-XMSQKQJNSA-N 447.304 0.057 50 20 ICGD O=C(Cc1ccccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807652178 AYLATVKHEAURMJ-XXBNENTESA-N 444.300 0.719 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(F)n1)CC2)c1ccc(B(O)O)cc1 1815343990 AMQRPZZPPCNLRK-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD O=C(CN1CCCC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817157244 QSXSVLZRWVHCAU-QGZVFWFLSA-N 439.281 0.018 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1 1820165279 CSSWDJQWAOCGLV-MEBBXXQBSA-N 444.586 0.971 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820846184 GFOLPTDRKCXLDM-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822183996 IPDZNZSZLNYOOZ-ONGXEEELSA-N 441.286 0.737 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822368967 MPIHWXUCPGUOBW-JQWIXIFHSA-N 437.821 0.380 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](Cl)COC)n[nH]1 1822369155 GFDOUDMXDATQBL-MBNYWOFBSA-N 449.961 0.983 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cncn1 1822416421 CZPCDEZKHJWLMU-DZGCQCFKSA-N 431.501 0.628 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823079731 ONHLLFUEUNMLBG-SWLSCSKDSA-N 444.322 0.850 50 20 ICGD COC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055193 UTHQUNKLZTYQDJ-LJQANCHMSA-N 430.310 0.553 50 20 ICGD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n(C)n1 1827056330 SEUVEYASUXQYOD-HXUWFJFHSA-N 438.337 0.955 50 20 ICGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550947 FCWAEBZHIHEACF-LAUBAEHRSA-N 433.892 0.671 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831570 MYANVPRICQVTMA-JDFRZJQESA-N 431.283 0.553 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830544342 VMPRSHFWHXOYOF-HDMKZQKVSA-N 434.375 0.814 50 20 ICGD O=C(CN1CCSCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833060934 CEDIILMFLYPSLP-KRWDZBQOSA-N 433.018 0.207 50 20 ICGD Cc1nn(C)c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1F 1833308159 KQNXVLMJGDKTFI-HNNXBMFYSA-N 429.924 0.653 50 20 ICGD COCc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1 1833311777 DRKAWJYWWVYNDL-GOSISDBHSA-N 426.945 0.946 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1833817109 KUPRGSITMMMSQX-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834301036 STQXMAKXZLICJG-CXAGYDPISA-N 427.299 0.578 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C(F)F)CC2)CC1 1834453505 FYZAHZGYMMTVRV-DHRITJCHSA-N 438.479 0.957 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797747 AZLBBCUBSOOIKD-UHFFFAOYSA-N 449.788 0.817 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835467385 XPHACIRMDRMEPD-WFASDCNBSA-N 428.835 0.775 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930615 PRECRORWXWJZFH-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836870137 AWOIXVMKMJZFBO-KRWDZBQOSA-N 438.569 0.949 50 20 ICGD O=C(c1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837846011 AQORZBQVZOHMMZ-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CNCCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837867537 LIGHIHDLARSHDX-UHFFFAOYSA-N 425.574 0.358 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838456074 GNBKPVXWWXTBBS-JXFKEZNVSA-N 425.913 0.827 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839061323 OYYOKMASJLMNRB-KSSFIOAISA-N 426.311 0.864 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839306273 WRJGSDUIUZAATN-KUHUBIRLSA-N 430.860 0.855 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839648105 SNEYPTHWHHNORS-ROCPSLNWSA-N 436.336 0.719 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839963216 DVIABJQCCHGXSP-YOEHRIQHSA-N 427.299 0.720 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840743791 PBXIOGLGHAMWBS-AUUYWEPGSA-N 448.850 0.958 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3cccc(F)c23)C1 1845720801 BQZQXXHMCPVLAC-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD COc1cc(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)CC2)ncn1 1847559287 QEPQYXBHSNKKHZ-HRCADAONSA-N 437.928 0.503 50 20 ICGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 727985601 FVNDABVPWUJAIJ-MRXNPFEDSA-N 448.483 0.997 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 728180628 VCTHQJHWYXEIQB-LBPRGKRZSA-N 443.469 0.476 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(nc3O)CCC4)cc2)CC1 728216107 QPJOKLVBYUBSHY-UHFFFAOYSA-N 431.518 0.969 50 20 ICGD CC1CCC(NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)CC1 728305303 BTXIFOCOFPBGQD-UHFFFAOYSA-N 448.524 0.063 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NNC(=O)C1CC1 733193179 HHGXTIMIRQNJIP-UHFFFAOYSA-N 435.333 0.857 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)c2cnn(C)c2)N2CCOCC2)cc1OC 735511965 IQPMJIXUGCHHFD-INIZCTEOSA-N 432.481 0.455 50 20 ICGD Cn1ccnc(NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1=O 747945662 NYZFURXIQNPWNX-LBPRGKRZSA-N 441.897 0.648 50 20 ICGD O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)NNC(=O)C(=O)NC1CC1 750327547 SGRNXOYMMVDHBZ-OAHLLOKOSA-N 443.426 0.688 50 20 ICGD C[C@H](NC(=S)NNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 751617223 LWWDQBWRDBANPM-VIFPVBQESA-N 430.512 0.338 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cc[nH]n1 755283971 HRVBXAQTQVZUIN-UHFFFAOYSA-N 437.478 0.020 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 758027567 WIIWIMGFYJKUOA-YDHLFZDLSA-N 442.538 0.974 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)CSc2ccccc2O)CC1 758746754 ZRNOYFXKOHXLDS-UHFFFAOYSA-N 430.552 0.876 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(Cl)c1 762539033 JMESLCJLZFGGFU-HOTGVXAUSA-N 429.926 0.769 50 20 ICGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 763438998 GNYKELGXZHFPJW-UHFFFAOYSA-N 439.498 0.492 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N2CCOC2=O)cc1 764004731 SPIGXLLVSVQAOR-UHFFFAOYSA-N 426.385 0.814 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1=O 764239785 UVKIXVAPHIEUKX-UHFFFAOYSA-N 439.428 0.152 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 764317781 NRMFFDIAMRPABK-CYBMUJFWSA-N 446.382 0.945 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764387371 QJNZZWZMEUYBNZ-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(CN2CCC(CO)CC2)cc1 764606445 RKJDLESPNZFPJD-UHFFFAOYSA-N 435.488 0.941 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1nccnc1OC 766261905 NURXQWBPTISKSF-UHFFFAOYSA-N 430.421 0.190 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)N1CC=C(C#N)CC1)c(=O)n2Cc1ccccc1 767157453 MOYNPVVXBBBHFK-UHFFFAOYSA-N 448.483 0.737 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 767447611 PWSZAYCFBOWGLM-OAHLLOKOSA-N 432.433 0.498 50 20 ICGD NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 769785752 WVOIWYQWVXGVTI-UHFFFAOYSA-N 427.822 0.311 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 785059902 DBYVMGKBVMPESM-UHFFFAOYSA-N 438.419 0.929 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 790951017 AUXGYPYAVOVRRB-CQSZACIVSA-N 426.433 0.351 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cn1ccc2ccccc21 793440736 WENKUAPIFVBIEF-FQEVSTJZSA-N 427.461 0.404 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 805043166 FULIWHMBWAFKRB-UHFFFAOYSA-N 436.856 0.626 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812549002 VNQCKADANOVQJQ-UHFFFAOYSA-N 432.502 0.891 50 20 ICGD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815692559 UUDORVDBJPCDBI-CYBMUJFWSA-N 443.464 0.831 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1Cl 815779403 DQNUJGHSAJCAAT-CYBMUJFWSA-N 446.913 0.635 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)c2ccccc2c1=O 816806299 YCQIUVVXBFITBR-OAHLLOKOSA-N 435.506 0.284 50 20 ICGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CC[C@H](B(O)O)C1)n2CC(C)C 864233073 FOBBSVBPZPJWBK-AWEZNQCLSA-N 433.318 0.763 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 912608224 LKVZAJQUPMIOCN-DCVCJNGCSA-N 427.457 0.807 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ncn(C)c2Cl)cc1 914564534 NYLRDLHSFCUHTB-UHFFFAOYSA-N 435.915 0.012 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCS(=O)(=O)C1 916114192 VPSFQFCFCGDKLG-MNOVXSKESA-N 444.307 0.384 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(C(=O)O)c1OC 917717589 UIUTYDMLNYXQJA-HNNXBMFYSA-N 438.414 0.552 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)c1 917722209 AHOWQSPGKJAKHE-UHFFFAOYSA-N 437.474 0.972 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)NCc1ccco1 920857401 HVLDGNJZSUZZOS-UHFFFAOYSA-N 428.492 0.435 50 20 ICGD O=P(CCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)(c1ccccc1)c1ccccc1 1319744943 JURXNYOJUGMODB-FCHUYYIVSA-N 448.525 0.776 50 20 ICGD CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1339414882 SAFQUNZCVOSOKP-NEPJUHHUSA-N 431.540 0.280 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1781226905 CLHWBTJRIXZIBW-RTBURBONSA-N 435.396 0.690 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329191 APJMKLYYBLHYSP-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)(C1)C2 1781957136 OQCDYHHSXCKFHD-OECJOKTHSA-N 428.913 0.443 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1782639440 CPBSJISKFHSXGV-WBMJQRKESA-N 435.388 0.331 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1783873715 SRPDNOYSRGAJRJ-YJBOKZPZSA-N 445.925 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1783878279 CIXPPWHKBJUOOR-TYILLQQXSA-N 433.933 0.983 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(C)n1 1783934804 MJQYUDHOEBCOJT-JOCHJYFZSA-N 431.537 0.769 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]c4nccc3-4)C[C@@H]21)c1cccc(B(O)O)c1 1786984394 JWNDDULQYKBBNR-YSSFQJQWSA-N 448.288 0.101 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)N1CCN(C)CC1 1789923594 WRPYAHJZFHGONI-UVPYHEFZSA-N 449.365 0.293 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCc3cccnc3)[C@H]2C1 1791726457 BTNRXZHWXXRIIJ-UFYCRDLUSA-N 445.564 0.757 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1793364472 DVLDWLOUHYTNRY-YHYOWMERSA-N 427.350 0.719 50 20 ICGD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794041368 NONCQFKYQIMUEK-IFOZYUSPSA-N 439.921 0.252 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C1CC1)c1ccc(B(O)O)cc1 1797195177 LOOVRIWPURKXGH-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C(F)F)c1=O 1797994309 BFUMXJOZPSPMCQ-ZMJPVWNMSA-N 433.839 0.700 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1798523002 MVHKIKOPWXAOOO-FTUNRGFVSA-N 447.444 0.902 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c(F)cccc1F 1798796318 SSEOBHKIKPUGQA-HBCWATKFSA-N 430.216 0.162 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2O1 1800952467 RBHDPTSAYJXQFV-YZIUBNRHSA-N 444.532 0.343 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)c(O)c1)C2 1800974667 ZSSVFPBBBLKIOF-NXEZDXNNSA-N 426.897 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncccn2)[C@@H]1c1cccnc1 1805781456 HHOFXDFJTXUZBT-APWZRJJASA-N 425.493 0.564 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)CCBr)CC3)C2)N1 1806847662 UZTRLBQIJUQRNF-LBPRGKRZSA-N 429.315 0.601 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnc1 1807366979 WMZXWKRYPMDYSA-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncs2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369193 CDXFJPVHGFFNJN-QFBILLFUSA-N 436.302 0.851 50 20 ICGD Cn1ccnc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1808624708 WEZMBSSDGXWPTK-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1810297118 AMPINBFDZJWEIJ-BEFAXECRSA-N 446.471 0.504 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070121 FTNKBFHYCCMKDT-UTKZUKDTSA-N 441.536 0.991 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1813637995 DOKWSJPJJQQRFX-DYESRHJHSA-N 431.537 0.766 50 20 ICGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1814574182 CZCMKGMNGHHRRN-JSGCOSHPSA-N 429.974 0.292 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1814910869 KSXOSQRDSFSTDY-JTQLQIEISA-N 435.510 0.621 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816675134 HNEIIWBRAQBZJB-YFKPBYRVSA-N 443.276 0.299 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471065 DGTDGDRDNJUQLG-IBGZPJMESA-N 439.325 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCC3)CC2 1826087764 KDTOCVICRKWLOH-LBPRGKRZSA-N 445.549 0.885 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829758184 CEMFUZOAKQYOHQ-BMIGLBTASA-N 448.343 0.433 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538040 UEGPHDXRCGLONK-DYVFJYSZSA-N 435.315 0.427 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831092633 ABKGOWCGDGLNDB-FTRWYGJKSA-N 447.960 0.247 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832384699 BQSDVOYAZATAQQ-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833307853 AWKRWDVXFRQIQX-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833766832 WXUKFASGAAZPSD-HUUCEWRRSA-N 427.933 0.174 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cn1 1834530254 BVYOPORXOBGECN-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797994 LOWOBTURTZRYDI-UHFFFAOYSA-N 426.326 0.101 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823098 JDAUCXVIAQNDIS-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1835531929 LZXYGEQVFQHZFJ-SJBPYACQSA-N 448.470 0.923 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836656169 YJFWEINSGCOMJO-CDXJDZJCSA-N 438.908 0.700 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836893271 ZACUPENAUMEAMZ-IIBYNOLFSA-N 440.585 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254297 WQBJDVSOAGMIRL-WQEAVSRRSA-N 444.326 0.061 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828427 QOGYSVHWMPJPIF-PXAZEXFGSA-N 430.845 0.247 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149864 URNPPVVOPAANBL-BMGDILEWSA-N 438.352 0.594 50 20 ICGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199254 TWKNZPVFBVHIFX-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840153812 ZSMYYTGCRCAZAF-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840156520 UIIYZXWTBVKBRQ-AUSJPIAWSA-N 440.928 0.225 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842275372 UDWSZHALDFEGCW-UHFFFAOYSA-N 431.204 0.494 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)OC(C)(C)C 1842766491 YUSRJYFGKYHFAP-UHFFFAOYSA-N 431.298 0.050 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844693254 MZPWHBWBYVNYAE-LBPRGKRZSA-N 432.433 0.862 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cn1 729692964 ATZFOHDFSZCXSJ-UHFFFAOYSA-N 425.492 0.904 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 730777720 BFLSKULJPCWMGC-AWEZNQCLSA-N 427.413 0.952 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@H](C)O1 732262615 UZDNISKVMASBEO-RYUDHWBXSA-N 445.314 0.761 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474663 SMBSILIJCNUNFX-INIZCTEOSA-N 442.538 0.447 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cn2nc3ccccn3c2=O)CC1 734821927 OSASNKWZSPXJEH-UHFFFAOYSA-N 433.469 0.226 50 20 ICGD O=C(C[C@H](C(=O)NN=Cc1cccc(O)c1)N1CCOCC1)NN=Cc1cccc(O)c1 741765954 GMTQJMLSPUARNL-HXUWFJFHSA-N 439.472 0.789 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743300893 MWBHIJOIFXAMKU-JHNDHUHGSA-N 432.502 0.955 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1 748620097 PBQHJFQHZKUJFI-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 757931265 YCBYUKOVOLFWBS-UHFFFAOYSA-N 438.466 0.314 50 20 ICGD O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)NNC(=O)C(=O)Nc1ccccn1 758719733 JGPMPCDYPIONFZ-MRXNPFEDSA-N 430.440 0.563 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 759686035 KLOATNBKHITJTO-UHFFFAOYSA-N 447.513 0.769 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)Cc1cn2ccccc2n1 759811860 WZKCCMVDGMKAHG-UHFFFAOYSA-N 429.458 0.033 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 760277822 SYHDMTOKWIEVMG-UHFFFAOYSA-N 437.416 0.450 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc21 763468876 WOHUNOUWLGNSMK-UHFFFAOYSA-N 438.400 0.695 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 763817160 DCHUFZGSLYBVSI-UHFFFAOYSA-N 439.538 0.669 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763863720 BGRSYUCGJAXEPN-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OCCC(C)C 764002582 OAOANRPOVZQWKU-AWEZNQCLSA-N 425.507 0.941 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)o1 764372244 RLTGQGKEYCMWDX-UHFFFAOYSA-N 436.446 0.009 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N2CCCCC2)cc1 764812400 KMIOYWOOZHMFRK-UHFFFAOYSA-N 437.504 0.964 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765119131 QNCGTIAMMBRXOO-UHFFFAOYSA-N 444.513 0.657 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 768242583 UPHTXZFFTSGWOQ-INIZCTEOSA-N 442.476 0.097 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cnc12 772188705 SGXCNAHODUABHE-UHFFFAOYSA-N 427.848 0.822 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CCCCS1(=O)=O 773392416 IWYCNUQFFKZOOY-QGZVFWFLSA-N 442.969 0.572 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)cc1C(=O)NCC(F)(F)F 775673357 RJQNAYRAEUKBKN-UHFFFAOYSA-N 429.380 0.812 50 20 ICGD CN(NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776200899 CMZWCOHQRZFPGT-LJQANCHMSA-N 440.501 0.391 50 20 ICGD O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1cccc(Cl)c1 779622388 LBJPXKYJCYTCLA-INIZCTEOSA-N 444.941 0.227 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1 784001694 BOUPWKVJXOPMKD-UHFFFAOYSA-N 441.444 0.422 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1cccc([N+](=O)[O-])c1 784829386 XYDFNENZWRRYGW-UHFFFAOYSA-N 433.446 0.878 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c(OC)c1 790765969 YUKDHQQOTLJNPP-UHFFFAOYSA-N 437.474 0.614 50 20 ICGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)[C@H]1CCc2nncn2C1 793450773 OBGLIAXXEBZGKW-LBPRGKRZSA-N 434.478 0.207 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 795168655 BDNGXEMBJXSTGU-UHFFFAOYSA-N 442.519 0.876 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(F)cc1Cl 795311884 LQGAZRLWSWKGRB-UHFFFAOYSA-N 433.801 0.598 50 20 ICGD O=C(COC(=O)[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 795738941 IJKRMSMRJDJYSQ-BXUZGUMPSA-N 431.367 0.401 50 20 ICGD CCc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cnc2c1c(=O)n(C)c(=O)n2C 802096274 KKHLKJPAMJLEHS-UHFFFAOYSA-N 440.416 0.390 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 810813061 IGAUDLRUPXTRSY-UHFFFAOYSA-N 433.487 0.022 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812560729 PFNNPWBUGSFBLI-UHFFFAOYSA-N 439.472 0.409 50 20 ICGD CN(C)c1c(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c(=O)n1C 814972757 JCWXXAGQMQNAPZ-ZDUSSCGKSA-N 436.513 0.247 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 871595701 JAKHMCLLVLXZJQ-UHFFFAOYSA-N 436.581 0.257 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 913429602 LJGRKAUCRUBNCL-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(O)nc1=O 915808314 CZQRFWYYEDOQFH-UHFFFAOYSA-N 446.423 0.319 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 916124975 CXYAPUAARRSGHA-UHFFFAOYSA-N 446.518 0.544 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 916266950 PRTWRAYKJYXDSW-UHFFFAOYSA-N 426.525 0.699 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 917625386 QDTSEPXLOJRCQU-ZWNOBZJWSA-N 444.307 0.384 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(CN2C(=O)CNC2=O)cc1 920932955 XEYZJHUASSLDFR-MRXNPFEDSA-N 425.401 0.731 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n[nH]1 1777730801 DOSHYGRKMBOJRM-DYESRHJHSA-N 434.541 0.473 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777978998 BDEYJMHQUMGFEJ-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD O=C(c1cn2cccnc2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778477971 AUUUFDGIILJFJT-WBMJQRKESA-N 426.246 0.863 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1780736322 CDDHXYKKXNVTTC-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782653699 XVFXYGZDHCFBNN-GAJHUEQPSA-N 437.305 0.084 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2)C1 1782760955 YIDKTNLRYURZLW-JXXFODFXSA-N 426.583 0.769 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1O 1783934407 GDOAJLQUEBKVFD-JOCHJYFZSA-N 448.520 0.607 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1783936431 VOYPJNHVNIKSSL-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785004404 KMTYGANWPZFMCI-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785330457 NVDBOHTXCWOCEX-XUXIUFHCSA-N 429.926 0.057 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406554 XWPZLKPRPQRIEP-XUXIUFHCSA-N 433.347 0.459 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4[nH]ccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979742 DILHBRKBUGLFHG-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787417927 QSBUTZKQCKYYSV-RAKJEAAFSA-N 441.492 0.066 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788629129 HVRJASKZCVIZFR-HYFYGGESSA-N 444.305 0.947 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1791036818 MKCYKASFKINPIC-NNPKFXBWSA-N 447.919 0.476 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791768136 JBWAYCSRUYPKCI-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD CC(C)(C)OC(=O)N1CC=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975545 UPSKEIHAIOWNTH-QKPAOTATSA-N 443.928 0.353 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)C1 1796367738 RWGZXBVVGUOARS-DXUDUQDWSA-N 449.907 0.338 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)cc1F 1796370421 IHNJPRAQMZXSNP-JLUCKKNBSA-N 436.864 0.967 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2 1796446473 YYXLAVCGXYHGBO-GPVAFHQSSA-N 430.440 0.491 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCC2 1798101067 MKXFIRIITPQKNN-RBVVOMGSSA-N 437.504 0.784 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798381080 LICMHCFOXMAUBM-HXBLPSMZSA-N 445.524 0.466 50 20 ICGD CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n[nH]1 1798440715 NCJIYRNYKQNQCG-CLLJXQQHSA-N 425.449 0.176 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693616 VFCASXPYRIEFTM-YFXMYTFBSA-N 437.460 0.224 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc2cnccc12)c1cccc(B(O)O)c1 1799141816 UPWGCJHSQBLFOQ-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800622584 CPDDBQKZLUZTIG-JWVYWZTKSA-N 438.289 0.037 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759651 ZCNSSSMHLPMYLE-GEJOOGBSSA-N 426.315 0.650 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1802896829 FDMXGNZDWXVTFY-YOEHRIQHSA-N 435.912 0.904 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@H]1c1cccnc1)C(=O)O 1806340624 IFYSVVJEKREUQW-CKEIUWERSA-N 441.326 0.935 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374116 IQLXARCLHFMLQJ-IHPCNDPISA-N 439.346 0.977 50 20 ICGD Cn1cnc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)c1 1808684172 ZBGHUAWHVZCFPT-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD O=C(Cc1cnccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335533 CZOWVSXPCUTURX-AWEZNQCLSA-N 437.290 0.081 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821632196 SRXLXEWRZMDUSX-IYPOZPNPSA-N 439.281 0.435 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1822548129 HMOKDMQNMATNOU-GOEBONIOSA-N 442.350 0.391 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1828950760 NQJDLQIKQUDAFN-KURKYZTESA-N 446.928 0.701 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831022924 BATZTYCYZUOOJO-GUYCJALGSA-N 448.314 0.069 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831441132 VOLXGYNKPFCQAG-IBGZPJMESA-N 444.536 0.445 50 20 ICGD Cc1ocnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798469 ZDFNOZUHTZQACO-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834818673 BKHCEQDLGBEZHH-IBGZPJMESA-N 446.386 0.960 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834822504 RBZGHXRHPKAZOG-REMYHPOOSA-N 433.299 0.347 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)no1 1835084015 GQCSBBTYPJNUNA-KRWDZBQOSA-N 443.907 0.819 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccnn3)CC2)CC1 1835895301 NKTYSBFJFDAODJ-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836396566 BLFMVUPAXFYRJT-IBGZPJMESA-N 428.021 0.823 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(C)C 1837221488 JATOJZTVOONVID-ICSRJNTNSA-N 444.601 0.882 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(O)n3)CC2)CC1 1837473915 TVQKXHHOBZBSCG-UHFFFAOYSA-N 447.536 0.772 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1=O 1837710393 YMZDJKZENSQCQT-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837712011 YZYHKRHHEXGJHA-FQEVSTJZSA-N 427.618 0.780 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839379521 CYYSOGTZFXVPCA-APWZRJJASA-N 437.859 0.872 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839962426 DRDVMNHHQWKYCX-MAUKXSAKSA-N 441.326 0.649 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188673 WQKJBNLTSVSZEI-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cc1ccccn1)CCO2 1840335596 OYRWPUATXQUKJP-MMOPVJDHSA-N 439.940 0.970 50 20 ICGD CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840522800 QKLRRRIYIHHYLI-BQNPTPDXSA-N 449.508 0.003 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1841344990 RFYAHRAFSSLEQF-UONOGXRCSA-N 429.477 0.091 50 20 ICGD Cc1ccn2ncc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c2c1 1844264151 MJWROVLATOVYMP-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845472688 FAQLQWOCZMZDCK-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 20887984 NBQVLUGHVWXLPI-HNNXBMFYSA-N 434.474 0.085 50 20 ICGD Cn1c(CC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nc2ccccc21 26538452 MUQXTPFOZPGOQR-UHFFFAOYSA-N 438.400 0.597 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCCN2CCOCC2)cc1 732051108 VPWCSEJJWJLCEO-UHFFFAOYSA-N 426.539 0.265 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NNC(=O)CC)CC2)cc1 732195808 VGHMLEBOSXXPHI-CQSZACIVSA-N 440.522 0.116 50 20 ICGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733660549 RYWKTLCWUBHKRE-CYBMUJFWSA-N 446.551 0.238 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](Cc2ccccc2)n2nnnc2C)c2ccccc2c1=O 735647092 GGRWODCOLHTIQE-SFHVURJKSA-N 446.471 0.956 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 735658426 BCYBTXFHFNXQHG-OAHLLOKOSA-N 432.485 0.620 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1F 743820552 NABLIPSLSPBSEH-XOUADPBQSA-N 436.465 0.704 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 746102516 HZCDZPAGNNRZIC-JTQLQIEISA-N 437.865 0.578 50 20 ICGD O=C(NNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)N1CCCC1 748246505 BBHBHOYDAIXZKK-UHFFFAOYSA-N 441.469 0.631 50 20 ICGD CN1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 748663681 DCKIHYDNNHMPGT-MRXNPFEDSA-N 437.522 0.426 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751203730 RJZRAUQZCLRAHK-UHFFFAOYSA-N 436.490 0.689 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 751208167 AWUZLNMYCDUGIY-LJQANCHMSA-N 447.448 0.232 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)cn3)CC2)cc1 753298679 QQZDCVSSNGFFEF-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2ccc(Br)s2)cn1 756837463 HHBNJQUAOBQXHB-UHFFFAOYSA-N 445.299 0.936 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 763737176 OYYNYDOPUQRPDI-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1C 763930590 AYJIGFMIJXQKRT-UHFFFAOYSA-N 438.893 0.885 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 764002628 OWFOROPYDPFSPX-JTQLQIEISA-N 425.854 0.046 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)Cc2ccsc2)c1 764035157 WKDLCJAGKURYLT-UHFFFAOYSA-N 426.458 0.670 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)cc2)c1=O 764116356 DSXHODWNLPJBCV-UHFFFAOYSA-N 430.808 0.330 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764167021 HLXGRERIYRNDTM-HNNXBMFYSA-N 428.470 0.744 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c(OC)c1 764283977 HPJAFUVMIVYVEF-UHFFFAOYSA-N 430.417 0.358 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764328808 AHBYUUQIONLTAG-XOUADPBQSA-N 434.399 0.463 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCCc3cccs3)cc2)CCN1 764340884 KJNIHTGKRBUIMR-UHFFFAOYSA-N 429.502 0.793 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1C 764350170 ZZVBRYOSGUWWNP-UHFFFAOYSA-N 440.865 0.710 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 764548670 VFNAVDYDWNLLIE-CYBMUJFWSA-N 440.485 0.502 50 20 ICGD O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NNC(=O)[C@H]1COc2ccccc2O1 765302760 KNFIUZTWWSYCSC-GOSISDBHSA-N 446.485 0.897 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)n(C)c1=O 765729679 XRTIGCXEPCZCDW-UHFFFAOYSA-N 425.232 0.202 50 20 ICGD Cc1ccnc2nc(C(=O)NNC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)nn12 765752228 PKVYCQWFIXKFIQ-UHFFFAOYSA-N 442.911 0.665 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)COCc1ccccc1 766316535 FLMHYLMCJNREIW-UHFFFAOYSA-N 427.866 0.730 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)NC(=O)CO3)cc1OC 771101440 LPXKKKYBYWKDNM-UHFFFAOYSA-N 430.373 0.048 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 772163015 HWPCAJSDEYZMDE-QMMMGPOBSA-N 436.284 0.508 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775705104 YFERLHINRGSULV-AWEZNQCLSA-N 425.401 0.675 50 20 ICGD CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 780175409 BPZUJUARAHDTJN-BTYIYWSLSA-N 447.444 0.779 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c(N(C)C)n1 783264976 VDAWSXUHTBMJRU-UHFFFAOYSA-N 435.510 0.620 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ccnc(F)c1 784852326 WEDKHJZXIIPERW-UHFFFAOYSA-N 437.453 0.632 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)c2ccccc2c1=O 789868372 DOMOPXDQKGCMEB-OAHLLOKOSA-N 442.497 0.913 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1C 789939911 QZNBDXQLJZSBTC-QVKFZJNVSA-N 446.504 0.834 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3cccc(F)n3)cc2)CC1 793036018 JICLBLRHBCQAOL-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCc2nncn2C1 793446650 HSCCZIGBYRFEJJ-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1C 798309133 IGLVCUXQZCKDHG-UHFFFAOYSA-N 446.485 0.398 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccc(F)cn3)CC2)cc1 807091242 IXIBYTLWTWXEDY-UHFFFAOYSA-N 449.508 0.226 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 813540120 PAKAMEYTNVZGFQ-UHFFFAOYSA-N 446.327 0.534 50 20 ICGD CN(NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087572 DWJBVLMYQHYZIR-UHFFFAOYSA-N 448.542 0.216 50 20 ICGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)[C@H]1COc2ccccc2O1 864237451 XZPSKWWWTVXFOO-GOSISDBHSA-N 435.440 0.821 50 20 ICGD Cc1oc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 915806927 WGVXOQAWAWTZKL-INIZCTEOSA-N 435.458 0.974 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCC(=O)N1CCOCC1 916251491 WDGWKTOEHBXYLM-UHFFFAOYSA-N 429.271 0.407 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCOCC(F)(F)F)c1 916459425 FWIKERWFSXINAT-UHFFFAOYSA-N 426.417 0.850 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)c2cccs2)c1 916568691 CPMSMKNTUHRASA-UHFFFAOYSA-N 439.519 0.372 50 20 ICGD CNC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 918235963 UOPJLDHVLVFTMM-UHFFFAOYSA-N 447.517 0.635 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1cc2c(s1)CCC2 918779424 SKPZWDMOCQBIFF-UHFFFAOYSA-N 436.519 0.819 50 20 ICGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 919879261 UIRSZHUQRQKGKE-UHFFFAOYSA-N 426.236 0.115 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 1117676378 BSEHOCWAXBQQQR-UHFFFAOYSA-N 431.474 0.401 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)n(-c2ccccc2)n1 1318236644 MBPXICKEVJFZAN-UHFFFAOYSA-N 427.442 0.911 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781466056 YUNBPKSQDFJTFH-QMTMVMCOSA-N 426.901 0.228 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1783938066 RHGBYAIVLAAASD-AUSIDOKSSA-N 444.532 0.583 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1783966601 HUQRLXZWZJSJJK-QAETUUGQSA-N 445.402 0.245 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1783974897 WDPISMJUHAMILN-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634364 HVGLZZVOIQDANH-UHXUPSOCSA-N 428.283 0.462 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)on1 1786980866 BQAGXXMYLFOGRJ-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788239934 YGHCHGGSZKJBIM-FLKCQLHMSA-N 429.521 0.715 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc2snnc2c1 1789203926 YLFKIDZTKFYDLU-VMXABPDPSA-N 425.898 0.279 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccc(F)cc2)CC1 1793793242 KASKMGNIRXQFRW-VPTLXERWSA-N 446.523 0.820 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1)C2)c1cccc(B(O)O)c1 1795739896 NRANQAOGDZTWBH-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)c1C(F)(F)F 1796606012 BYWRFBBANWPNJV-WRWGMCAJSA-N 438.834 0.896 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccc1F 1797752894 LVYUBRVVIXXARX-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1800617687 RYVHRGFPYDCAJO-ALOBAPJISA-N 436.317 0.682 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035575 NANDGTPFJYCFCB-SDNRWEOFSA-N 430.221 0.038 50 20 ICGD CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801242380 LTFWHPBGPKOCKV-JWBKOJIWSA-N 447.565 0.243 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cnn1C 1805924598 HJEBPHDRZXCWBJ-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1807361001 DLWBNSOGVKJCJZ-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363425 OUKNQLHLYPESNU-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365756 WGTABXORGIOEAI-GHTZIAJQSA-N 438.337 0.469 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1 1807671160 JVAAMKPHKHWTKS-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD CC1(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)COC1 1810295830 YCXQXHYAQMQUIG-QAPCUYQASA-N 438.488 0.436 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810296025 ZNEFWHVLMXSFBH-IPELMVKDSA-N 440.504 0.417 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302152 HDUFMUPHZVBKJV-MNEFBYGVSA-N 439.520 0.398 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnn1 1810722456 DEBJNZGABBDLAH-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1810982602 HGCSSPGNGHGSEP-LIRRHRJNSA-N 430.465 0.468 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1813069799 CRMVSFWIQLBWJO-UZLBHIALSA-N 425.493 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1813070170 DNFWKOQRLBKQNZ-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815328687 ZEWXLSFDHIYWNS-KSBSHMNSSA-N 425.833 0.634 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335629 IGYXZYZFEFIIGO-CZUORRHYSA-N 431.323 0.456 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817477043 XGJWTJQIGVBWNS-QFBILLFUSA-N 439.325 0.737 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cncc(O)c2)[nH]n1)c1cccc(B(O)O)c1 1817478908 CZDNHTCVGXQCFJ-GOSISDBHSA-N 435.249 0.810 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](F)Cl)CC3)CC1 1818895082 LEOCFWKQZKPSJE-ABAIWWIYSA-N 431.921 0.754 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822417104 ZWJGXDKBPVHPBW-GJZGRUSLSA-N 440.570 0.889 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n(C)n1 1825920890 UJUQRYSRDBXSOQ-HXUWFJFHSA-N 438.337 0.955 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826618834 OTIFLPJYHMLVLP-FQEVSTJZSA-N 432.326 0.263 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1830357691 IOYWFUPJFXQWFQ-INIZCTEOSA-N 426.844 0.818 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1830537885 RPGGQPIYBGDHFR-GUYCJALGSA-N 429.315 0.521 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166439 GLNZFDVGSQMVTN-CABCVRRESA-N 431.917 0.403 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCc3cnc[nH]3)CC2)CC1 1833789615 KIHQDPWPGFWFHE-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C)CCO2 1834899629 WFRBEOZVCAPBFC-VQYZLWMVSA-N 433.509 0.623 50 20 ICGD O=C([C@@H](O)c1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835291453 QTRPEESKBLKRSO-MPGHIAIKSA-N 445.285 0.867 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836395662 KLFNEMYWDRTYDX-LJQANCHMSA-N 435.761 0.569 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837921833 PIQSVGRGCHISGL-INIZCTEOSA-N 447.717 0.985 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1837956159 JVAXHYXSFDIVLL-PBHICJAKSA-N 446.273 0.851 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1838212741 JMDJLOSYXVSPEQ-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838456076 GNBKPVXWWXTBBS-OXQOHEQNSA-N 425.913 0.827 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838701829 UHUAGICEMHKQGA-IFXJQAMLSA-N 428.917 0.857 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C(F)F 1838704113 ZARFXZGTSIPIRY-DYVFJYSZSA-N 436.843 0.256 50 20 ICGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)c1ccccn1 1839199840 WQKZBAZMJAJOQF-VBQJREDUSA-N 445.289 0.228 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1839967744 XCCDMOKGRQNEQA-QAPCUYQASA-N 443.342 0.593 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031567 UNGZSPYHANBJOI-GTNSWQLSSA-N 447.305 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1840150412 KIQJDTMWEAYPHA-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cnccc4n3)C2)C1 1840152393 HDUZEHSVKRSMAG-IIBYNOLFSA-N 448.907 0.954 50 20 ICGD CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840309302 ICGLCAFOWYDDJG-HUEZBFSXSA-N 447.492 0.127 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841347753 DBTFGQJJQTYDCB-KGLIPLIRSA-N 431.917 0.425 50 20 ICGD COc1cc(N2CCC(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)CC2)ncn1 1841348552 VWWIDTPWTKVNIC-OAHLLOKOSA-N 437.928 0.505 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccccn1 137919028 ATPXFERHOXGMKK-UHFFFAOYSA-N 434.474 0.763 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 725740100 RNDNRLDKSDVSSQ-UHFFFAOYSA-N 446.441 0.542 50 20 ICGD Cc1noc(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 727604203 RXPVHEMUFLFNFA-UHFFFAOYSA-N 436.494 0.739 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)ccc1I 729274506 OEYFJHQOFYXSJK-LURJTMIESA-N 445.666 0.643 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732236049 NQSNFQJJNZGEJX-CQSZACIVSA-N 438.510 0.075 50 20 ICGD O=C(NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1cnn(-c2ccccc2)c1 733349554 BOQNZBFRYRGONF-UHFFFAOYSA-N 426.477 0.798 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 734526522 WZVYNICBVYREDS-HNNXBMFYSA-N 445.501 0.618 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cnn(C)c1 735472710 AESLQMKDFJZXKI-SLWQEBJJSA-N 437.547 0.893 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)COCc3ccccc3)cc2)CCN1 738457984 YITZDZRQYBGDAM-UHFFFAOYSA-N 439.472 0.306 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)COCc2ccccc2)c1 738496948 GSURWHQSCOQFGE-UHFFFAOYSA-N 449.489 0.080 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1 743249424 BJKJNLOMYSBDGP-UHFFFAOYSA-N 447.516 0.408 50 20 ICGD CCN1CCN(C(=O)CC2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)CC1 744401234 BHFVPJHDBFHDNV-UHFFFAOYSA-N 440.548 0.585 50 20 ICGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)o1 746210792 VBDUNDWJZKMPQQ-UHFFFAOYSA-N 435.245 0.425 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1COc2ccccc2O1 748214393 RGUZVLFLTQHDKI-MRXNPFEDSA-N 429.389 0.381 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)[C@@H]1Cc2ccccc2O1 748214730 ITZANCHOUYSVMN-DYVFJYSZSA-N 445.453 0.437 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNC(=O)c1cccc(Br)c1 748627224 IBFJQECSZPUAKJ-NSHDSACASA-N 431.287 0.561 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)c1 752300037 VEUCPDCBKJZYGO-GFCCVEGCSA-N 446.485 0.696 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 755537155 XBBGVBPMZGLUMM-MRXNPFEDSA-N 436.446 0.861 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 755863596 OBDHGWUNJZBIBX-QGZVFWFLSA-N 442.428 0.511 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)cn1 756293566 ISHJNWDHPCFDMV-UHFFFAOYSA-N 425.449 0.700 50 20 ICGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758839891 FXOUZTLUTOQJHJ-QMMMGPOBSA-N 440.279 0.810 50 20 ICGD CCOCCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763530110 PBVAQWVWNWTZST-UHFFFAOYSA-N 428.445 0.948 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763680753 VTLCUMDMPGOAAT-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1C 763746464 XJHSDHVAZHKAOC-UHFFFAOYSA-N 427.461 0.741 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 763820023 JLCHFXHXKDHDDU-UHFFFAOYSA-N 426.433 0.784 50 20 ICGD O=C1COc2cc(NC(=O)C(=O)NNC(=O)c3cc(Br)ccc3O)ccc2N1 764280004 KPWHSGFPVKSVPL-UHFFFAOYSA-N 449.217 0.885 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)CCCc2cccs2)c1 764342038 SQZDXWLJGYZAJC-UHFFFAOYSA-N 428.467 0.643 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c(C)c1S(=O)(=O)NC1CC1 764355559 DFBFQHDTHUSZLS-UHFFFAOYSA-N 445.501 0.468 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 764433605 NZOOSFKPELPYHL-UHFFFAOYSA-N 438.444 0.957 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Oc3ccccc3)ccn2)n(C)c1=O 765727806 NKIFQAXMWMGBKR-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766324525 PHINLPXTUDQNEX-MRXNPFEDSA-N 440.368 0.849 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(Sc3ccccn3)o2)c(=O)n(C)c1=O 766433755 ITTHGHSCXPCPEJ-UHFFFAOYSA-N 432.487 0.861 50 20 ICGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642993 POOFRVQYAKSTTN-SFHVURJKSA-N 443.548 0.629 50 20 ICGD Cc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Br 767900624 JQLOVOIROLVMBE-UHFFFAOYSA-N 433.266 0.655 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccnc(Br)c2N)n1 768596589 NYPRAJQLGPCKGF-UHFFFAOYSA-N 428.268 0.738 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN(C)S(=O)(=O)c1ccccc1 768634269 HPUIBHYPQWYYPE-UHFFFAOYSA-N 427.504 0.863 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(OC(F)F)n(C)n2)CC1 768712330 QBDBYRVFSDNWJN-UHFFFAOYSA-N 445.452 0.110 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nc21 770974204 JXOLETSEUMENTL-UHFFFAOYSA-N 430.450 0.031 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2nnnn2C)cc1 772878468 VZYRAJGEEXQXTE-RVDMUPIBSA-N 449.475 0.223 50 20 ICGD CN(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205019 HXPFWRNTXXKREX-UHFFFAOYSA-N 445.476 0.918 50 20 ICGD Cc1cnn(-c2c(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)c(C)nn2C)c1 777817563 ZZAPIXMHYHQVRU-UHFFFAOYSA-N 429.868 0.953 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@@H](C)O)cc1 779512470 BVFXSVFTOHLTDA-IUODEOHRSA-N 432.462 0.611 50 20 ICGD CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1(C)C 780233451 GSGNTIPOLGUREI-XEKQOVJPSA-N 447.554 0.667 50 20 ICGD COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782964935 DDOUAVUYDWMFSL-UHFFFAOYSA-N 437.412 0.724 50 20 ICGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 784683504 DQTIPTNYEBZIOS-UHFFFAOYSA-N 435.484 0.329 50 20 ICGD Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 785153906 AORSNBWIYDAQTE-UHFFFAOYSA-N 437.460 0.680 50 20 ICGD O=C(COC(=O)[C@H](O)Cc1ccccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1 785724886 ITKUQIFGAUHCIN-RHSMWYFYSA-N 434.832 0.774 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 786299317 PGKCZIOCOGRJTM-GFCCVEGCSA-N 430.483 0.372 50 20 ICGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 789586042 JFKCOTPMRXPSQX-UHFFFAOYSA-N 448.233 0.889 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccccc1F 792017317 GJLYDQWDXSDVBL-KRWDZBQOSA-N 431.342 0.984 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 792798339 RQNLJOXUEIEHML-HXUWFJFHSA-N 432.477 0.445 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 796482483 MXABFTDOQOIZNQ-ZDUSSCGKSA-N 445.517 0.868 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799672312 USLPRSKBISGGNV-UHFFFAOYSA-N 442.444 0.825 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1Br 815691385 ONFJXCVKHWSCBS-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 817054706 VCMKCFLIDNJEBA-FQEVSTJZSA-N 432.502 0.787 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 913395669 URKWZNLOQCLCFO-CZUORRHYSA-N 435.433 0.386 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 913459320 RHEQMSXNNDVFJK-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 914532023 UXGPUMMUOQZKJO-AAEUAGOBSA-N 448.339 0.483 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(CO)cc1 916593589 SQTDQQKTFOIKDQ-UHFFFAOYSA-N 447.513 0.594 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)COC(C)C)N(S(C)(=O)=O)CC2 920429143 ITFFXUDUHYDLCW-OAHLLOKOSA-N 443.522 0.525 50 20 ICGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cccc1 1336289325 GYWHKVAZWJTYBV-MRXNPFEDSA-N 434.518 0.850 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780439937 CAPIYWWEBWPSSM-FQEVSTJZSA-N 429.307 0.143 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)CC2)CC1 1781107917 IROZQIPRZJAYGT-WMLDXEAASA-N 447.349 0.287 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781215124 IGUGTVAVINJEPB-TUXXCZFBSA-N 438.912 0.840 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326736 RZFAZPPWKUNTKK-DOMZBBRYSA-N 435.225 0.916 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1781904132 JHHYLFDSOUHHSO-VMUDFCTBSA-N 443.346 0.922 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1782864400 LWDGQCLGQDQSRM-FZXOMJPYSA-N 432.431 0.185 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783539542 LAYQHNMKXGAOEA-RNCFNFMXSA-N 430.221 0.278 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccn(C)c13)CCO2 1783934867 NDYLAUTZLRKXHN-QHCPKHFHSA-N 441.532 0.995 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21)[C@@H](O)CCl 1784091956 FYMRNMBPYLUSCL-FQQAFBJJSA-N 434.924 0.332 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784186719 YYXDOZBSQNTFMQ-YYDVJCTNSA-N 428.533 0.993 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785692409 ZIRGLOXQXLIVLB-NHCUHLMSSA-N 434.248 0.556 50 20 ICGD Cc1csc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786983339 NTQHRKLNGLEUQF-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ccoc4c3)[C@H]2C1 1787351553 MVABROAZOBSICY-QOKNQOGYSA-N 443.504 0.794 50 20 ICGD O=C(/C=C/C1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789895942 XDZJMJUJHQOSFU-MATMOTHZSA-N 426.322 0.706 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926438 YBYOQXNDNTWERF-PJSNJIKXSA-N 437.310 0.364 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)nn(C)c3C)[C@H]2C1 1791637688 GPIOCDGJZJIFQA-DKIMLUQUSA-N 426.945 0.813 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782185 XDYUENUUWKSCOJ-QQGSHNGGSA-N 437.928 0.975 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792979740 DJERMBCIWJQHJE-XRGAULLZSA-N 425.869 0.668 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ccoc2s1 1796116697 QUQFGEZLDKJFAW-JLVBRIDZSA-N 440.286 0.691 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796356227 IDTZGAVCDXUGQZ-BSTOTGJRSA-N 429.271 0.265 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)c1cccn1C)C2 1796893221 SRSPMHMOSAVVAB-BDHJUDLHSA-N 438.488 0.980 50 20 ICGD O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(Cl)Cl)C4)cccc2C1=O 1797539859 CYKFYWZBSWXBOH-BZBKMWRSSA-N 426.256 0.828 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC1CCCCC1)C2 1797748624 NBMGLIFUZJHZPQ-YVWYUNDQSA-N 445.520 0.238 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816568 LJOCWAKLZISSNA-ISZBWXFQSA-N 432.315 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ncnn3c1)C2 1798440587 RTJMOQQPAHMDJD-QDMKHBRRSA-N 434.460 0.293 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)o1 1798440589 RUAPGCQFOHSAKL-BTTYYORXSA-N 440.460 0.802 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)cc1F 1798996087 OFUFGCWPQZACLZ-HBCWATKFSA-N 430.216 0.162 50 20 ICGD NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799348000 WZZVJWZKMCIAEJ-PKCZLINISA-N 429.246 0.074 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802599254 ONALFDXGSVNGQH-YJBOKZPZSA-N 440.504 0.825 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803232775 QNKMCEKWZQFHMM-HOJAQTOUSA-N 425.294 0.098 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807618542 VSTRYAVURTVTLY-IJEWVQPXSA-N 436.314 0.948 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1813028962 ZTFXGAOZOBYGPE-VYDXJSESSA-N 431.942 0.776 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815103350 NYXKCDOBJUIDKM-CXAGYDPISA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCO1)CC2)c1ccc(B(O)O)cc1 1815335539 DRPCNLPCHIAPRL-GDBMZVCRSA-N 429.307 0.618 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1(O)CCC1 1815335854 UBNOTHBOTHCYEW-WFASDCNBSA-N 443.334 0.600 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336808 FOKXSNBAQQNCOV-KHIZAZIESA-N 431.323 0.456 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnoc3)sc2C1 1817453602 JLZFAHUHUVBNAA-JTQLQIEISA-N 427.446 0.669 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819586023 RRAXGGXGXWPCIV-UKRRQHHQSA-N 433.513 0.466 50 20 ICGD C[C@]1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CCCN1 1819800973 WKAPFPXQPKLJLR-BIBXISHDSA-N 443.533 0.510 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1826000496 UQNRKNDBABHGNM-MDZLAQPJSA-N 432.930 0.460 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)c1cccc(B(O)O)c1 1826351560 JRCGZRIRZZTSNI-DSSZZKGTSA-N 443.334 0.600 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826717852 JPWDEOPHRFXPPK-IBGZPJMESA-N 437.585 0.311 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831835540 YBMMXOYVKUSVDK-CABCVRRESA-N 431.917 0.403 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1CCCCO1 1833110884 FZKOKYWTKMVFBE-NRFANRHFSA-N 443.353 0.121 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313912 SRSXLKORZKDRSY-GOSISDBHSA-N 436.940 0.570 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cn1 1833435727 CDGRHKCZBNPLDS-LIRRHRJNSA-N 442.900 0.199 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n[nH]1 1836715088 IQMXRIJHRCZHAG-KRWDZBQOSA-N 426.901 0.824 50 20 ICGD O=C(c1ccc(O)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838651959 HBZYMJQPNNVQHX-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201051 VDVMJTUFCKXCFD-XJKSGUPXSA-N 433.278 0.787 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Br)CC)CCO2 1839963367 IRQWELNXPDNDDL-MVWKGKBHSA-N 447.326 0.736 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498732 XTZWXIYCVKIQQY-UGSOOPFHSA-N 442.310 0.570 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCC1 1840614094 NGMQOGUYVPIJQB-OAQYLSRUSA-N 438.569 0.642 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)cc1 1841353590 GEICIHOXEGWDGK-INIZCTEOSA-N 428.938 0.826 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842059800 JBMILFPXMAGFNL-WDEREUQCSA-N 439.310 0.980 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn(-c3cccnc3)c2)C1 1842267482 KELRNMCTHOSMKG-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C(c1cc(C(F)(F)F)ccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011696 HIRMKLNFIASRPD-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1c(C)n[nH]c1C)C2 1843416667 KZFQMHVZABSVHH-MFKUBSTISA-N 425.493 0.906 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845743246 WXBBIMSIHVGRPW-LJQANCHMSA-N 447.499 0.268 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1846362854 ZAYUSFWHWJJOIF-LBPRGKRZSA-N 444.879 0.642 50 20 ICGD CN(CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C1=NS(=O)(=O)c2ccccc21 20920748 IQIIQQDOLNAUGV-UHFFFAOYSA-N 425.470 0.939 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNC(=O)c1ccc2c(c1)OCCO2 733045362 JOJVPNUUCYMPLS-UHFFFAOYSA-N 448.448 0.666 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744556304 MLSXYYTUWSILNU-UHFFFAOYSA-N 448.432 0.566 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cnnn2)cc1 744621150 SDPMIXLDCOSJMQ-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CSc2nnnn2CC(F)(F)F)c1 744967277 VEMINOOMHQUAOV-UHFFFAOYSA-N 443.367 0.204 50 20 ICGD CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 745540684 GUSZYEULQWHISL-HNNXBMFYSA-N 448.501 0.984 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)N1CCOCC1 745833695 CYDIOIUXFSBTRA-UHFFFAOYSA-N 448.288 0.774 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCOCC3)c2)C[C@@H](C)O1 745992999 RMANVTVNLZULLE-ZIAGYGMSSA-N 426.495 0.171 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1OC 748827102 FRBGKTVEMYRKDU-UHFFFAOYSA-N 428.511 0.710 50 20 ICGD O=C(NNC(=O)N1CCC(O[C@H]2CCOC2)CC1)c1csc(N2CCOCC2)n1 749111311 GTIBFLONQMTCON-AWEZNQCLSA-N 425.511 0.604 50 20 ICGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 749772707 NIRTXJGMSVCWEX-GXFFZTMASA-N 449.327 0.581 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 750289496 RVIVIMJIFVIVRV-HNNXBMFYSA-N 431.493 0.946 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 755902306 WRIVTFGNELCKAB-UHFFFAOYSA-N 442.538 0.997 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(Cl)c1 758043748 KAAHUZIBTAQYHS-LURJTMIESA-N 445.666 0.643 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 758384959 VLODPGFRZZFXAO-HNNXBMFYSA-N 448.480 0.317 50 20 ICGD Cn1nc(SCC(=O)NN=C2CN(Cc3ccccc3)C(C)(C)C2)c(=O)n(C)c1=O 761253950 LWHQFFMEMKLVGO-UHFFFAOYSA-N 430.534 0.728 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 761730683 WIXMKJNRLQSJAR-RPLLJCPNSA-N 444.513 0.925 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@H](C)O1 763551837 SLNPYPQSNUNOHT-STQMWFEESA-N 441.444 0.824 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763746485 YBVSQQSIXKYOJB-UHFFFAOYSA-N 439.472 0.810 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)cc1 763747844 NYPOVJIXYQRIKF-UHFFFAOYSA-N 432.820 0.643 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C(N)=O 763850702 OWUHSEDIMKQDJS-LBPRGKRZSA-N 429.433 0.359 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2NC1=O 764204691 RTRMHGDQWLJLNI-NSHDSACASA-N 449.464 0.797 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764328806 AHBYUUQIONLTAG-VDERGJSUSA-N 434.399 0.463 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)c1 764386221 UDRITJXVFNPCAM-CYBMUJFWSA-N 433.490 0.867 50 20 ICGD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2C1 764432015 IBXGLZZQEXSSQQ-INIZCTEOSA-N 448.476 0.481 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)c(C)o1 765592050 HTMHYXXPJGHQOC-UHFFFAOYSA-N 433.446 0.970 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCc2c[nH]nc21 767225950 AOHZJLKLWOOIAG-INIZCTEOSA-N 448.505 0.452 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNc1nccc(N2CCOCC2)n1 768242372 FQEDLKVKBBJHQO-UHFFFAOYSA-N 440.508 0.280 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 776942495 MMKRYKDQDMZLLY-CABCVRRESA-N 446.298 0.979 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 778288747 FDUXIDNTAAJBTM-UHFFFAOYSA-N 431.478 0.618 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 779642274 PDTHHJNRQMXTDB-UHFFFAOYSA-N 433.446 0.123 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1nn(-c2ccccc2)cc1O 784765140 NMHFSJUMWXWCAI-IAGOWNOFSA-N 439.472 0.780 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788231364 FRFMICIHOXZQDB-UHFFFAOYSA-N 440.503 0.112 50 20 ICGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1 789587370 XDOZXJYUSYFARE-UHFFFAOYSA-N 426.227 0.356 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 790077343 DLPJOYUWIUUMHV-UHFFFAOYSA-N 443.478 0.748 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1F 794063523 ICOBTKODYIHKIA-UHFFFAOYSA-N 438.437 0.885 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cn1 795325822 OIAKAQKOXAKDRK-UHFFFAOYSA-N 429.499 0.982 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 797368748 GNDZCNLZIBQLHU-UHFFFAOYSA-N 441.400 0.030 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)nc1 800748779 MPEYJCGYCDSWMW-GXTWGEPZSA-N 448.571 0.112 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(Br)c1 802722408 YXEJNDRLTSZLSX-UHFFFAOYSA-N 448.320 0.800 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 806978903 IZTLXWFWLQAIMO-UHFFFAOYSA-N 434.836 0.822 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1Br 807968423 VPMVLRKPGIHVBR-UHFFFAOYSA-N 429.252 0.570 50 20 ICGD C#CCn1ccnc1C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 807976570 RIKAFUULDZCYKZ-UHFFFAOYSA-N 428.518 0.281 50 20 ICGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2 810593804 JKKMTEYPHCQZAB-INIZCTEOSA-N 445.955 0.539 50 20 ICGD CN1CC[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 849573309 RRCVZUVBNVUYQR-SJORKVTESA-N 432.912 0.573 50 20 ICGD CSC[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 859448655 QTRYBGXIHPNYIY-WBOJAVRRSA-N 447.513 0.881 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1OC 913415735 YKDMGKSMFJZBQW-UHFFFAOYSA-N 448.457 0.324 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 914459178 JFBBXNGMOJWJOY-MRXNPFEDSA-N 435.433 0.891 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2c1=O 916577894 KUZHPZNEDPHBMQ-LLVKDONJSA-N 426.399 0.762 50 20 ICGD COC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 918285885 UCEJPQQLIYMNHN-UHFFFAOYSA-N 436.446 0.613 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)cc3O)CC2)cc1 918340048 ZUDDUPCIVRBQFE-UHFFFAOYSA-N 446.529 0.777 50 20 ICGD O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1ccccc1 919184842 XDRZEKLTQYTKPE-FUHWJXTLSA-N 443.431 0.334 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CCCCS2(=O)=O)CC1 1116541950 CJEJYEXXMAEMCN-CQSZACIVSA-N 432.543 0.931 50 20 ICGD Cc1c(NC(=O)[C@H](C)SCC(=O)N2CC[C@@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1329216222 VBSXTTIFYXFIRE-LSDHHAIUSA-N 446.338 0.620 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778021983 FMHFIHSRBSRTPU-VPWBDBDCSA-N 427.926 0.363 50 20 ICGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028172 GCAXQYMDMSNXNX-HXUWFJFHSA-N 444.517 0.516 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1779543991 VTGRCDMINXLISW-DNVCBOLYSA-N 425.606 0.192 50 20 ICGD CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098517 NTTFBAWKOPKRBF-FQEVSTJZSA-N 448.432 0.100 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1780713202 MVTQJUDRGCSNHC-RUZGCFLTSA-N 437.368 0.329 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1O 1783783464 VCPZXSHYNDABRZ-KMCQBPLKSA-N 426.897 0.523 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1783935637 XBJJZEHHZGQFAB-LJQANCHMSA-N 436.538 0.232 50 20 ICGD O=C(CCCc1cccnc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784671558 PNGZPKMPZORRRY-HSZRJFAPSA-N 437.305 0.228 50 20 ICGD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785075485 KZRSSTARGGBMBU-GVRJEKJASA-N 447.960 0.869 50 20 ICGD C[C@H](CC(N)=O)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1786428439 CZRPMQYKVQPKKJ-CYBMUJFWSA-N 438.488 0.944 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccn1 1791713177 DLHCTYXSYWKSGX-HRDWYUFVSA-N 437.305 0.158 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)ccc1F 1792699204 LGMIPKKVZMVDQQ-HBCWATKFSA-N 446.671 0.676 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1 1792793976 FZNMZLSMMIEMEI-KYFSNAEOSA-N 432.521 0.740 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793107761 WPSQSYJOCCLMDP-AKIOZOGOSA-N 443.928 0.803 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(F)cc([N+](=O)[O-])c1 1796192978 GHPJTKPDZORPFM-BCDXTJNWSA-N 441.224 0.979 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2)[C@H]1SC(=N)NC1=O 1796421818 GFTUBBVQVTWZMV-IEECTRCBSA-N 430.958 0.643 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801175657 SCAPRWZRPYHWBD-UYZIEWPDSA-N 430.549 0.828 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1801969691 PIQDNXAIKTYMRM-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccns1 1805217893 JZRCRURUODBHFH-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)c1 1805951019 KRPWOBWVKSVZJY-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363350 ZUNVYXNOSDVIPI-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371699 YJSRFFJJJJIGHO-WMZHIEFXSA-N 444.300 0.719 50 20 ICGD C[C@@](O)(C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(F)(F)F 1809977810 JPHBPNSNRKWGFH-GOSISDBHSA-N 442.243 0.525 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1810297150 BBFIOXNNPSOQSX-CRAIPNDOSA-N 433.472 0.703 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813272553 ZQVVEQDPVSLQQN-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815328688 ZEWXLSFDHIYWNS-UPONEAKYSA-N 425.833 0.634 50 20 ICGD CC(C)(C)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339390 CGCLJASUYSTKBJ-CQSZACIVSA-N 430.339 0.437 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414310 ROILCEPUBKYSAK-ZDUSSCGKSA-N 432.485 0.967 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823787432 KIYPBUBCNJDGNI-NHCUHLMSSA-N 443.353 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)ccn1C)CC2 1826088431 XSOSRDUCIBNVBS-LBPRGKRZSA-N 446.533 0.441 50 20 ICGD N=C(N)SCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826879183 NIILJVCMCQHZEL-GOSISDBHSA-N 446.382 0.616 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1830357518 DIJRNHFBCYVSFY-SFHVURJKSA-N 428.873 0.223 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725903 SLSBKVSCPKHVHV-RDTXWAMCSA-N 433.839 0.689 50 20 ICGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccs1 1830727889 JPZQIOXVTKPOCT-QSYSNMATSA-N 442.921 0.543 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736637 VTBNZWAFJOXELK-BEFAXECRSA-N 432.851 0.563 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1831644082 NOFVAWGLUXYCNJ-MGPUTAFESA-N 438.912 0.658 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831732694 RIRCORFZDLWOES-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994975 RBJQLTFITVPHOP-ACJLOTCBSA-N 449.342 0.958 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832502894 SVWOPZWCBSNYOJ-DENIHFKCSA-N 436.936 0.774 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1)[C@H](O)CCl 1833310655 YEMPXEMGZOHUDY-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1834826467 QPYMGEGBDUGNJX-JTTJXQCZSA-N 433.343 0.779 50 20 ICGD CCn1nc(C)cc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834984006 VLXLCBPXBZUQDQ-SFHVURJKSA-N 425.961 0.996 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837374785 JSIMQXGGOJBJJO-VCBZYWHSSA-N 432.949 0.558 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838038897 GEPRZYZONRDRKF-SJKOYZFVSA-N 436.843 0.602 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068003 OHMSJTVJBIQALZ-JTDSTZFVSA-N 446.386 0.958 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839147383 OOKDQXZFKOOTLY-IQUTYRLHSA-N 449.932 0.303 50 20 ICGD O=C(Cc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199616 YJTGZAIMAJHSHG-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839963220 DWCAMVARLQEDCQ-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031882 FTXYLDAWIOBDJT-MGPLVRAMSA-N 447.355 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1840151683 KYSAORPLTXXOMO-RXVVDRJESA-N 440.924 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNc4ccccc43)C2)C1 1840151890 QACWKNKVJREGGI-XGHQBKJUSA-N 437.924 0.906 50 20 ICGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2)OCC 1840156464 SMJBGRHFUNRWNH-BEFAXECRSA-N 436.933 0.486 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186472 IWLMWCXLQGBGMQ-OAHLLOKOSA-N 429.322 0.153 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840941034 RJFNSQNLXOGYHT-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc(C(N)=O)cc1)C2 1843417138 ALHBQTROMXALOW-AFUMVMLFSA-N 436.472 0.737 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038805 VRUPUSKPYOMMPM-XLIONFOSSA-N 444.580 0.909 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846979729 HQVBJHRXXAIRNP-UHFFFAOYSA-N 434.456 0.453 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc2nsnc12 19108234 VSASQRXMECXDQA-UHFFFAOYSA-N 440.532 0.916 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc2ccccc2n1 27688215 RKPHNLTXBUFGCH-UHFFFAOYSA-N 443.485 0.669 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccc2c(c1)OCCO2 105283078 FPKOPXCDJBWNBJ-QFIPXVFZSA-N 436.424 0.612 50 20 ICGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(F)(F)F 105570493 AEBOQABJTJYGKU-HNNXBMFYSA-N 448.427 0.314 50 20 ICGD C[C@H](Oc1cccc(C=O)c1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728338114 FDNAHESIGOQBTH-UGSOOPFHSA-N 428.397 0.797 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1Br 732241749 FRVKKUCQPDMYSU-LLVKDONJSA-N 449.327 0.826 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732261302 CCTFTPYXRDLZPO-RYUDHWBXSA-N 437.888 0.585 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 732262200 RQGWRNKKKAUXHG-GJZGRUSLSA-N 429.477 0.718 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)Cn3nc(C)cc3C)n2)cc1 735029088 SECJOKKEAYNKNM-UHFFFAOYSA-N 427.465 0.875 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749161053 UHKMCEXFMLXQGR-OAHLLOKOSA-N 434.499 0.999 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756661157 YSSXETLCSQBZCA-UHFFFAOYSA-N 425.449 0.619 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)nn1 757408149 PYXZCPKQLVRDID-UHFFFAOYSA-N 447.249 0.858 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 759689356 VHZZUZQWWIQLBG-UHFFFAOYSA-N 433.486 0.840 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 763848487 CDIDUHFVSXMQPQ-LBPRGKRZSA-N 432.408 0.633 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Br)c(F)c1 763916182 BFMNGAQWGJTYHL-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CCc1ccco1 764168894 IJNLNYWKLGWHOG-UHFFFAOYSA-N 428.445 0.779 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764169980 XVDXTYXARIGOJR-HXUWFJFHSA-N 438.484 0.651 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)ccc1Br 764267268 QNLIIAXCNRNDBW-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD C[C@H](c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1)N1CCOCC1 764275729 SECIVQXEMHKNAP-OAHLLOKOSA-N 442.472 0.950 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1=O 764277608 KVKLGDDQFXJBOC-UHFFFAOYSA-N 439.222 0.018 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cccc1S(=O)(=O)NC1CC1 764313799 MKEBPSZBXCTHTQ-UHFFFAOYSA-N 448.476 0.903 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1-n1cnnn1 764345179 CAGYBGOWXGQWBV-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 764345824 XKWGPKYSDQNGRT-GFCCVEGCSA-N 446.445 0.233 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764367097 IWUQWFQCYPCKBZ-UHFFFAOYSA-N 433.428 0.750 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 764397816 NOIZGIILUGYHOI-XHSDSOJGSA-N 436.509 0.433 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCc2n[nH]cc2C1 767116614 XOVXEBPKOFPBKI-OAHLLOKOSA-N 432.506 0.696 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770207240 FDHUORHNKMMQLC-UHFFFAOYSA-N 430.490 0.705 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(C)(C)C 772022054 KHVQHLPRZALLHJ-GFCCVEGCSA-N 443.522 0.804 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cn2)C[C@H](C)O1 773653605 CPTQXZVSNSYROR-STQMWFEESA-N 445.436 0.509 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 775455613 WQBCIXASZISVRR-OCCSQVGLSA-N 428.515 0.030 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 777276733 ZRDHIKVVYBPAQP-UXHICEINSA-N 449.552 0.350 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cccc(OC)n2)c1 780769648 QIUWGYYXOPXDMU-UHFFFAOYSA-N 435.506 0.994 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 783426635 IKAANLOONMJLMS-AWEZNQCLSA-N 449.283 0.802 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1nn(-c2ccccc2)cc1O 784765137 NMHFSJUMWXWCAI-DLBZAZTESA-N 439.472 0.780 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)n1 785237985 WWNADQBVLOUJJB-UHFFFAOYSA-N 435.510 0.621 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2cccc(F)c2[N+](=O)[O-])s1 791148137 QLYMPMGTTXBMKZ-UHFFFAOYSA-N 445.454 0.853 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792004790 JZMHMXOBGCBBDB-MRXNPFEDSA-N 428.323 0.988 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2ccccc2C(N)=O)cc1 792017011 FGRZTFUOVNZJQX-UHFFFAOYSA-N 432.502 0.495 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(F)c1 794579570 MBKJMMJBSQPNGV-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD Cn1cc([C@H]2[C@@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC(=O)N2C(C)(C)C)cn1 795102374 XJDHEUVIJKSCLY-FZMZJTMJSA-N 427.469 0.634 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c1C 796989895 KTDSDMAJZCKWKK-CYBMUJFWSA-N 445.432 0.121 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 797450052 SHZHXKXSPJXEPG-HXUWFJFHSA-N 435.477 0.971 50 20 ICGD Cc1c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nnn1CCOc1ccc(F)cc1 799862696 BILDMKFASYCMSH-HNNXBMFYSA-N 425.486 0.911 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 815566321 PWJOXJSYBDLYQZ-LBPRGKRZSA-N 439.428 0.913 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)CC1CC1 819105051 WLHNUWDUHDQNRG-UHFFFAOYSA-N 436.490 0.717 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 819657579 DOIVMFHCXKZIEO-RRFJBIMHSA-N 436.509 0.956 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913156123 SODJRUQBTMQXMO-UHFFFAOYSA-N 435.853 0.299 50 20 ICGD Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917725322 MCQMUPBGAZVXOX-UHFFFAOYSA-N 442.306 0.306 50 20 ICGD O=C(NC[C@H]1CCCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918124266 MNMFMXKVTXVFBW-CQSZACIVSA-N 426.495 0.078 50 20 ICGD NC(=O)N[C@@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 928975567 VHFYBYVPNPYBOD-YOEHRIQHSA-N 442.428 0.317 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1116487595 HETMEOBWGOGOAP-KUHUBIRLSA-N 441.506 0.531 50 20 ICGD O=C(NNC(=O)c1cccc2cccnc12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1318065614 XHLMJGPXOOEJMV-CYBMUJFWSA-N 429.458 0.161 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 1320514158 SSPKQXNYEKJYLV-PBHICJAKSA-N 437.449 0.419 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccccc2OC)cc1 1321467994 WMYYVEYFBUQVOM-UHFFFAOYSA-N 436.490 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC2(F)F)C1 1778772516 NDUIHHCZPAFGKW-SPYBWZPUSA-N 437.447 0.468 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1780713518 WBWQNENKVWDFNP-XHSVMWQWSA-N 437.368 0.329 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783347314 GWHZZPDQASNVCB-SJKOYZFVSA-N 437.298 0.741 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n1 1784090911 QWWTXKQVRPGINA-IMIFBBOLSA-N 442.856 0.191 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784791283 SMQSCXWLRDYFLV-WVTHRUQGSA-N 433.534 0.846 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H](F)c1ccccc1 1784902333 PMJKVNRPLYTRLA-VMXMFDLUSA-N 440.280 0.671 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1785682445 PGJMDRUKQQTLJS-SCLBCKFNSA-N 449.907 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3Cl)C[C@@H]21 1791291293 RQVSRQDCAFYMRQ-QRTARXTBSA-N 437.928 0.701 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3)[C@H]2C1 1791807606 WQDDOWYGVVUZDD-STECZYCISA-N 433.534 0.174 50 20 ICGD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)n[nH]1 1794556514 KAPUHXJRFPGZQZ-BTABJRDXSA-N 427.299 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CCC1)C2)c1cccc(B(O)O)c1 1795741076 YUEOYSURJJHHER-HATOLVCRSA-N 448.328 0.692 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796356231 IDTZGAVCDXUGQZ-WJZNIJOASA-N 429.271 0.265 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1796446409 UZJJSOBQPPCAQG-NSKVJOCLSA-N 440.460 0.124 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)n1 1796597141 YVBSRJSPCWSQGT-XPCVCDNBSA-N 429.315 0.516 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(=O)n1O)C2 1796890046 WIIYQXBDERDJMI-NGYDUSEUSA-N 440.460 0.471 50 20 ICGD N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797753219 YRIJKFAUGKYYNU-HGKCTWBKSA-N 434.456 0.074 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2)N1CCN(C)CC1 1799185867 QEQXXPIREPTBGJ-NAHJCDBISA-N 435.396 0.448 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 1800968293 XVCFPSWOVQCQTC-ZBURPKILSA-N 430.929 0.809 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1800978175 NRZHZUISUJADDY-WRWGMCAJSA-N 438.834 0.896 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803234800 JBVSTXZOKWBBMF-SNRMKQJTSA-N 440.504 0.417 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1803537088 GJWHAFHWVDGACY-QUCCMNQESA-N 437.305 0.508 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804366229 NZCHJVCBTYDFGN-WDYCEAGBSA-N 445.907 0.512 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806776421 JCUDSIKXSHYLFD-XLIONFOSSA-N 425.294 0.242 50 20 ICGD O=C(Cc1ccccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807652174 AYLATVKHEAURMJ-CVDCTZTESA-N 444.300 0.719 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812407492 CIXRDRHZDGYZNK-AVRDEDQJSA-N 441.536 0.666 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814476147 XPYFMDNZWRWKEV-SJLPKXTDSA-N 441.297 0.310 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235372 UZMCXGQVQOEPCD-CMPLNLGQSA-N 437.821 0.380 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474593 BWWXPFCPXQFPMI-SJLPKXTDSA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cc2n(n1)CCCO2 1819112160 CWBBWYMXDVOXBA-JOYOIKCWSA-N 425.898 0.948 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1820160290 ILCXYGBCJJJBCA-SNVBAGLBSA-N 439.570 0.458 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416677 KSJTWSATHYFOGQ-INIZCTEOSA-N 430.513 0.980 50 20 ICGD O=C(O)CSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822424995 MROREOYJLVSFKP-HNNXBMFYSA-N 446.294 0.213 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C1(O)CCC1 1829740183 KJOVDXOTNMPXJZ-VQIMIIECSA-N 428.602 0.845 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1830534970 GLBWXGSBLNPBJX-NHYWBVRUSA-N 433.328 0.639 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1830546623 TWYBRJGHTYSHOU-KBXCAEBGSA-N 443.342 0.450 50 20 ICGD O=C(c1ccnc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728789 YDBVCSGIJDRHGE-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD Cc1cccc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)n[nH]c12 1830736904 XSRASJIZHQDWFS-QRWLVFNGSA-N 436.896 0.541 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830736914 XTKDJSRTDGNROW-PYEWKGIHSA-N 438.908 0.765 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cn1 1832272823 YDKZWDRMAUFNIQ-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1833264385 FFZKEJSRLMQSSJ-ZIAGYGMSSA-N 431.375 0.724 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597312 COLYKNPVULHZCL-KSSFIOAISA-N 443.294 0.883 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834819583 RPNCHXXHAIXEOC-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835766203 XHMYPCMBUOCXAC-FWVVFLIFSA-N 444.960 0.687 50 20 ICGD Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1=O 1836713806 LZCWBJSSJLSVKD-QGZVFWFLSA-N 425.913 0.597 50 20 ICGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1836733656 ALLGJUQVBJGMIC-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC3CCC3)C2)C1 1837456603 OSRYUMVZQPEFLX-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719264 NMGXSTWWSAKWBO-DYVFJYSZSA-N 429.315 0.440 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839997517 RFNHMSPTSDIOME-LAUBAEHRSA-N 438.908 0.220 50 20 ICGD O=C(c1cncc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840063016 KEASJXVXBNTFKU-BBRMVZONSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840149613 VPMNIMDFAXTGNT-WWGRRREGSA-N 441.750 0.728 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189071 UNIDXDSRHUUICV-INIZCTEOSA-N 433.248 0.049 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189593 AHZMOSMAEQKSGH-KRWDZBQOSA-N 433.292 0.375 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385702 RTBCJFFBPXDSTM-CRAIPNDOSA-N 443.342 0.903 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217349 TYCNUZHQBBBFKS-QWRGUYRKSA-N 438.294 0.766 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 727766279 ORLVOYPWLIHBAF-SJKOYZFVSA-N 434.474 0.730 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n2nc(C)cc2n1 728330449 LYEKUINQNRWFOF-INIZCTEOSA-N 425.401 0.490 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728889893 SJTYVZBSFTYGKY-UHFFFAOYSA-N 444.517 0.619 50 20 ICGD O=C(NC[C@H](O)COc1cccc(F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 728961834 RQAFLWPAVZTAKK-INIZCTEOSA-N 432.456 0.602 50 20 ICGD CC(C)CN1C(=O)/C(=C\NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)NC1=S 728981885 JQBXXPIOBMLRAR-UVTDQMKNSA-N 431.522 0.097 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 729626948 HCQBSPOROOJUEI-SJORKVTESA-N 432.521 0.944 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2Cc3ccccc3C2=O)cc1OC 730050592 GDBHAXGIZARHPV-UHFFFAOYSA-N 427.413 0.664 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)NCC(N)=O 731472904 BOTJDRFOEOLHLN-KPKJPENVSA-N 445.277 0.696 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CCN(CC(=O)N(C)C)CC3)n[nH]2)cc1 731761781 DMWRYJQWWOAMCP-UHFFFAOYSA-N 427.509 0.882 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731808296 PEQFEYYDOBORKD-UHFFFAOYSA-N 434.821 0.532 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 732195736 RWHXKROKIMDQQA-LBPRGKRZSA-N 436.456 0.958 50 20 ICGD COc1cccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1O 733806184 VQNQNXWBPOWKQO-HNNXBMFYSA-N 437.412 0.939 50 20 ICGD COC(=O)COc1cccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 734671613 PIDASWQAHCNRJF-UHFFFAOYSA-N 439.428 0.630 50 20 ICGD CSCC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737065237 OOKZPENNBXWOJQ-CYBMUJFWSA-N 430.552 0.793 50 20 ICGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1=O 739065090 ZDBZLXMCDFBISN-QGZVFWFLSA-N 434.460 0.563 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742039949 WZTDRJCPBOPBPB-SNVBAGLBSA-N 443.913 0.827 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 744581752 LBUNGGDQCOGOML-UHFFFAOYSA-N 430.442 0.143 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)n1 745882217 GCEBKLKHFHNKNC-CQSZACIVSA-N 449.493 0.355 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1C 750661333 PURDTVBEXGXDBX-AWEZNQCLSA-N 439.494 0.509 50 20 ICGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)c2ccc(F)cc2Br)C1 753668747 HRQMAGMUXYXOLD-SECBINFHSA-N 437.291 0.814 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)C3(CCCCC3)C2)cc1OC 753859357 KIDWOOCIASLVAV-UHFFFAOYSA-N 439.534 0.898 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCS(=O)(=O)C1 755001543 LKJXDFKOFIUEIF-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD Cc1oc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1S(N)(=O)=O 755623815 CZFMEULIHGJBPT-UHFFFAOYSA-N 435.506 0.209 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)cc(Br)c1 758026548 RBEBSWGNDILUQC-LURJTMIESA-N 443.117 0.910 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NN=C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 758117587 MDGDMGHKDPDQMS-UHFFFAOYSA-N 426.521 0.737 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)C(=O)Nc1ccccn1 758819897 DWUCVUHCERALQK-UHFFFAOYSA-N 434.250 0.750 50 20 ICGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 762680834 KARQJVQYFZFSLK-UHFFFAOYSA-N 430.446 0.294 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763680792 BPFXUOGMFVXVIN-UHFFFAOYSA-N 437.449 0.578 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 763775120 LLHAXMHBIIFWQY-UHFFFAOYSA-N 441.444 0.040 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763871468 GXRPYNAHBOMPEJ-LBPRGKRZSA-N 432.408 0.504 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 764004352 DVKCIVKLXOKLEG-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005632 DFRXINYUHGIHNE-UHFFFAOYSA-N 442.428 0.372 50 20 ICGD O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NNC(=O)CNC(=O)c1cccnc1 764343310 OHDMLGFQGCJSBJ-UHFFFAOYSA-N 440.485 0.791 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 766261367 VZRMQJGOWLJXAA-OYKKKHCWSA-N 447.477 0.380 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 766650574 WMZWUTLSQJHPAB-UHFFFAOYSA-N 439.516 0.438 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)c2)CCN1 771592802 RKYOLXYMWAOMIX-UHFFFAOYSA-N 437.409 0.611 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1F 773885020 GEADPNWGMWXROB-UHFFFAOYSA-N 427.392 0.586 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 775191363 NDSYESMFTAXWNA-CQSZACIVSA-N 429.502 0.920 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 778572957 CQNHTFFFWISNAT-UHFFFAOYSA-N 441.404 0.830 50 20 ICGD COc1cccc(NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)n1 780585841 BUEJXICBTJRJSA-UHFFFAOYSA-N 427.421 0.732 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NN=Cc1cn(Cc2cccnc2)nn1 783855551 ILXVRXOBIIMDKA-UHFFFAOYSA-N 432.488 0.630 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2ncccc2S(C)(=O)=O)nc1 787386605 FTVRQTYLXFHOHV-UHFFFAOYSA-N 442.523 0.393 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1 787541402 RALKIVOQSSWOBT-UHFFFAOYSA-N 430.465 0.323 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)Cc1ccccc1C)C2 792922210 RBXXBXMMLOMTLJ-UHFFFAOYSA-N 430.530 0.651 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNc2ccc(OC(F)F)cc2)c1 793036021 JJUIGLXXTKNOOG-UHFFFAOYSA-N 435.387 0.927 50 20 ICGD O=C(NNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C(=O)N1CCCC1 793305631 SRRAOXMXEDWYSB-HZPDHXFCSA-N 425.445 0.348 50 20 ICGD Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C(C)(C)C)cn1 795174779 MPWMHZXTUHHIBM-CZUORRHYSA-N 427.465 0.289 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796998665 LZHKJBGFRPEWDX-UHFFFAOYSA-N 444.375 0.953 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)nc21 800749568 WZNDLFGDLJHTQD-PWSUYJOCSA-N 440.530 0.631 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802064122 XUNKNSFIKIDOGI-SNVBAGLBSA-N 446.532 0.671 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)c2)C1=O 807235041 GVPWFKAKMLTHQJ-OAQYLSRUSA-N 442.476 0.364 50 20 ICGD CN(C)c1nccc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 810427017 YMEOMVZWSOXNEE-UHFFFAOYSA-N 429.300 0.727 50 20 ICGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 812436434 GQRSLZXZLDVXBC-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3F)c2)CCN1 812980151 MBXKNODMCRTTNU-UHFFFAOYSA-N 447.854 0.811 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 817051313 JUGCQZRCIDJDFE-HOTGVXAUSA-N 436.534 0.821 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 913055312 PWDGYDCBZHHKLM-KRWDZBQOSA-N 435.458 0.212 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 914444871 DIBIWOYXNWBPMF-MNOVXSKESA-N 444.307 0.384 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 914994383 OJWMNJOWHOJXJG-UHFFFAOYSA-N 435.458 0.991 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3CCN(C4CC4)CC3)nc2)CC1 916240183 VWJOADDXYGLQTQ-UHFFFAOYSA-N 437.570 0.271 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 919809416 RLOSDYDZUKECIM-HNNXBMFYSA-N 435.506 0.933 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)o1 1115918775 OJOBFNZIXRPVBW-UHFFFAOYSA-N 441.496 0.632 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(c2cccnn2)CC1 1116766971 VPSSJMWSPHNTQX-UHFFFAOYSA-N 432.510 0.383 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888548 BEHPJBUISZXXNH-LHSJRXKWSA-N 448.907 0.631 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 1777944528 QJQFWNDMUATODU-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032712 WMPMNMPMGOXVJA-AOMKIAJQSA-N 427.505 0.897 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1781997727 FJPOQHRPZPRLFH-LALPHHSUSA-N 425.345 0.328 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1782001196 BAHRUENMAQKKFM-HNSFDTNUSA-N 430.343 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccco1)C2 1782210285 MVXXBSYEUBCRDT-LKUPVBHCSA-N 436.509 0.200 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccoc34)C2)C1 1782446997 IUNFWLXMKPVMJJ-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](C)Br)CCO4)C3)(C1)C2 1783445968 FFZDBMVQECOXST-IMBJVDQRSA-N 429.311 0.943 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1783932939 KZMFWYLNMSDNHP-JOCHJYFZSA-N 448.520 0.146 50 20 ICGD COc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083958 IHLCOYCCKVFUMX-AFIMGQEJSA-N 426.897 0.653 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cnc1C 1785511239 AMPABRJCBPWZGH-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789871846 LHWOEJAOLMVZIM-NEULZYRMSA-N 439.409 0.686 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526738 IFYWUBCAVXIBTP-MXAVVETBSA-N 439.875 0.716 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791057124 DAJJSZMALBOWTF-GMOBBJLQSA-N 429.271 0.265 50 20 ICGD COC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)CN(C)C(=O)C(=O)O)cc2)CCC1 1791098004 UWHOEPBUPCQOTP-CQSZACIVSA-N 425.869 0.917 50 20 ICGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N(CC)CC 1793459400 HMNXLWPZQJLDDZ-QXGSTGNESA-N 446.552 0.009 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737390 YDKSFMUMIOARIV-PIKOESSRSA-N 426.253 0.280 50 20 ICGD Cc1cc(Cl)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795741057 YPPXZFBIBIPFBJ-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)o1 1796191576 ZUPLBGBQTKTIHU-BJWYYQGGSA-N 425.250 0.483 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccccn2n1 1796563558 NAHSMANWDXGEOI-BTTYYORXSA-N 434.460 0.293 50 20 ICGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c(F)c1 1798440684 JZYKZTMRWACVKV-CLLJXQQHSA-N 442.451 0.793 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800400761 SKVBGKVZNZZARB-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011340 HTNBTXZWNWBBLJ-DWSNTNAQSA-N 432.521 0.954 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803146422 ATTXXGWCOLXSGQ-URLQWDBASA-N 433.896 0.816 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnnc1 1805487078 RLYXJAXGNDOUHT-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD Cc1nnsc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977801 ICTPFUCIYDPXEV-UHFFFAOYSA-N 428.323 0.685 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810308675 MMBWDEHBPCMQLW-OXJNMPFZSA-N 440.504 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1813071414 PSMPJGQGYHFAGU-LIRRHRJNSA-N 429.481 0.203 50 20 ICGD O=C(CCc1cnc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815823368 BQMJHQHKVYVVCJ-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CC(C)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820004636 ICKRTQNQMYDMMO-DOMZBBRYSA-N 431.323 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1822411058 YMXGXIXPABHZJW-HNNXBMFYSA-N 428.497 0.808 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)N1CCN(C)CC1 1822683105 IPQQSSHVQJCIAQ-DYEKYZERSA-N 429.974 0.291 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824184625 ARYXXJHJAAUYGE-CHWSQXEVSA-N 427.851 0.884 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 1828926959 VCQRBWYGZWTRHH-INIZCTEOSA-N 426.481 0.350 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720100 STKLEHNNTJEGNG-YLJYHZDGSA-N 441.311 0.748 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738668 RAVFPZBIXUZYCL-UZLBHIALSA-N 444.887 0.433 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830766134 YQUUCLXXADSQBV-JTDSTZFVSA-N 446.386 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830984819 FZLRCFJWSWIMJI-ZQIUZPCESA-N 429.315 0.684 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831656504 GDDCISOVOZROLJ-IFXJQAMLSA-N 442.900 0.425 50 20 ICGD CC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736794 IHMOGMIATQJQOR-UHFFFAOYSA-N 438.479 0.526 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837240805 BBKZPQOXSJIOLQ-XRHLQHRESA-N 434.631 0.453 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150953 CVNPAZOVCBHGDV-UBZMYNMCSA-N 437.320 0.798 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839353276 ZMVFOBNQURWFAZ-CRAIPNDOSA-N 445.831 0.404 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1839760071 BCGZQSFXYBUQOI-QGZVFWFLSA-N 447.326 0.571 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839995369 NSUGGMCJFHGVBA-DPTMFGANSA-N 438.908 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840033457 FWBUAZDYJNFDQV-WLJAYZHCSA-N 445.358 0.698 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567183 FQGMQTQWOIFPMC-QAPCUYQASA-N 434.375 0.957 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 1841854466 MMMXRHHCBDFGSM-CQSZACIVSA-N 442.299 0.869 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265594 SKESGWQKWUGUPJ-UHFFFAOYSA-N 434.456 0.453 50 20 ICGD CSc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1O 1844716700 KQTSKIPQNRXAKF-UHFFFAOYSA-N 426.303 0.925 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc3nsnc23)ccc1Cl 19109995 MHDJLNUQKPLQFQ-UHFFFAOYSA-N 447.907 0.615 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 727671571 BIMHDRUPOOMLOP-UHFFFAOYSA-N 436.446 0.857 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728333187 PTIOGVHQWIWIOJ-AWEZNQCLSA-N 433.377 0.020 50 20 ICGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 728506934 FCOYUOCUDMRVEG-UHFFFAOYSA-N 436.284 0.861 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 729276207 ZGQKWBLKEZCMEZ-MRVPVSSYSA-N 430.284 0.538 50 20 ICGD O=C(NCCn1c(=O)oc2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 730129146 RADWYHIKKPSKDZ-UHFFFAOYSA-N 425.449 0.632 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 734120613 XTUUJIJQRWOJMD-CQSZACIVSA-N 445.567 0.335 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NNC(=O)c3cnn(C)c3)cc2)C1 735509603 CVTZGCKZCNMRDI-AWEZNQCLSA-N 434.522 0.985 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C 736308077 HZUSXGVYBKDALN-UHFFFAOYSA-N 430.534 0.696 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(Cc3c(C)noc3C)CC2)cc1OC 742594107 MDPAWDDQXOWBAL-UHFFFAOYSA-N 431.493 0.887 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCN(S(C)(=O)=O)CC1 743522059 UTUSGDOKMXVNPJ-NSHDSACASA-N 449.327 0.534 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCS(=O)(=O)C1 746590605 BIEFMIODULXVAU-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1Br 747883877 YGIZJVXJNQBNGE-UHFFFAOYSA-N 425.195 0.989 50 20 ICGD CN(C)c1ncc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1C 751807550 UCVLTCVNAOLHND-UHFFFAOYSA-N 449.537 0.415 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc2c1=O 753291308 SNUWMJDUMBZXMH-QGZVFWFLSA-N 449.471 0.464 50 20 ICGD CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C(F)(F)F)c1 755591444 CKXDMTDPJYALFX-SSDOTTSWSA-N 425.389 0.754 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755932294 NDXYIOIDWUVOLT-LBPRGKRZSA-N 430.508 0.081 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 756820124 XYWHQPFDNMIGSX-UHFFFAOYSA-N 425.449 0.901 50 20 ICGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 759093611 FCTHXRQPNGAHSS-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 763625689 WCXBDYXKOCUKDW-UHFFFAOYSA-N 444.473 0.293 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)CNC(=O)c1cccnc1 763819515 CDMUEWLBIDWWIK-UHFFFAOYSA-N 427.505 0.682 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c3cccnc3)cc12 763819967 IHJMTPCDPXJXSY-LLVKDONJSA-N 443.489 0.034 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763837577 JBLHYRYRYDXWJW-GFCCVEGCSA-N 432.408 0.964 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1 764369571 IDPNTHNYRXQZGQ-LBPRGKRZSA-N 430.417 0.669 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764400860 JPRPMTUMFABPNZ-UHFFFAOYSA-N 437.499 0.982 50 20 ICGD O=C(CCNC(=O)c1ccsc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733032 LRNZHGORKJSXIJ-UHFFFAOYSA-N 443.529 0.473 50 20 ICGD CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H](Br)C(C)(C)C)CC2)CC1 767031235 UJHMAJJNIGTLJV-CYBMUJFWSA-N 425.393 0.432 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 767447609 PWSZAYCFBOWGLM-HNNXBMFYSA-N 432.433 0.498 50 20 ICGD O=Cc1ccc(OCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 772885053 UAGNFUPMRHVDRJ-UHFFFAOYSA-N 434.792 0.903 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776056044 KGRQNBIWFLNTFK-LBPRGKRZSA-N 444.514 0.700 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)OCc1ccccc1 777778168 ZORUUKVGUXFUGP-UHFFFAOYSA-N 434.312 0.739 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778438141 LBYTZWGGWMGJAP-UHFFFAOYSA-N 444.510 0.205 50 20 ICGD N#CC1=CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 779586148 OKXUAZWRPVZOJV-UHFFFAOYSA-N 432.502 0.446 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ncc(Br)cc1Br 783845539 HSEDRYPZJSKART-ZCFIWIBFSA-N 428.106 0.994 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccnc3Cl)cn2)C[C@H](C)O1 784839035 GOZTWCCSECZXCL-RYUDHWBXSA-N 435.872 0.649 50 20 ICGD CC1=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)n2ncnc2N1C 788262349 WDYGNXUSLHKYDX-LBPRGKRZSA-N 433.494 0.274 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OCCOC(C)C)c1 789742926 DRMACJUUZLHEBD-CYBMUJFWSA-N 429.495 0.630 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)o1 792811295 XNRABEKARCBKST-UHFFFAOYSA-N 445.505 0.825 50 20 ICGD N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 795821711 BLUJVYKMMHFVQX-APWZRJJASA-N 434.408 0.771 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c(OC)c1 796199932 UNUFRGWFJPVMJT-UHFFFAOYSA-N 433.446 0.320 50 20 ICGD CSCC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 800517564 OXNNWFOWOROBIS-UHFFFAOYSA-N 442.607 0.838 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1 802105191 SNHBPDCUNOCHAY-UHFFFAOYSA-N 425.423 0.135 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)CC1 802830613 FOHZQNIPLMMGHO-UHFFFAOYSA-N 431.465 0.476 50 20 ICGD COC(=O)N1CCC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 805832138 PRTCMJSZAIPBMY-UHFFFAOYSA-N 427.483 0.904 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 806503372 OLHIDTJKCROMEE-UHFFFAOYSA-N 429.466 0.990 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCS(=O)(=O)C1 812561200 GTXPMPVKAKXEIQ-IBGZPJMESA-N 449.533 0.937 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 815691766 ATKMGECFASOTJY-RVMXOQNASA-N 429.506 0.987 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 815827587 GTUSNRVLZVBGCI-MRXNPFEDSA-N 431.928 0.459 50 20 ICGD CC(C)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 899880174 YOSBZKKVOJGRQY-QGZVFWFLSA-N 433.461 0.412 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccc(C)cc2)cc1 913431679 ZLEZWRXEDJFLTA-UHFFFAOYSA-N 448.501 0.710 50 20 ICGD COc1cc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)ccc1OCC(=O)N(C)C 916641607 XGYXFBKDHILRAF-UHFFFAOYSA-N 432.481 0.506 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885891 OZIURQOGBACNIK-LBPRGKRZSA-N 447.311 0.087 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 920370593 KGRAJCXPHUTWPB-CYBMUJFWSA-N 429.520 0.387 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 920435694 MTYWETBZMFPKLV-CYBMUJFWSA-N 438.431 0.910 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778181288 PULVMUHHIVJFQR-DYESRHJHSA-N 435.908 0.462 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779296278 MJHLGULYTNFGSY-FQEVSTJZSA-N 426.634 0.305 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779363994 VKHUTSABXWQQKA-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782866611 FIOODIDKASEAJF-ZXSWEOGUSA-N 432.427 0.838 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1783935627 AUOORXCMBYPPOF-FQEVSTJZSA-N 437.472 0.046 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783966309 DRXZMZUVNYRWMM-YDMUCJKGSA-N 448.358 0.148 50 20 ICGD O=C(Cc1cccc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786522434 VPXZCXUOZHZMQO-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CBr)C[C@@H]32)o1 1787026880 WRBCNBKTHGYOKR-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1787764307 NMXSBWXAHVZSNH-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1789860324 PAIMMTKVMWRWQR-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1791255550 UJDFRRBHVZDJRQ-WOYTXXSLSA-N 425.913 0.643 50 20 ICGD CC(C)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(=O)OC(C)(C)C 1792975076 IRBVSXHFYCOIAK-JYYAWHABSA-N 447.960 0.821 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793730767 HASYPPUUYCQYKA-UTINFBMNSA-N 434.770 0.185 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(-n2ccnc2)ccn1 1796191949 UJXHILCRLYEFAM-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796288795 MITVOTBQOFEHSL-ZSMOCIRGSA-N 442.303 0.874 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684210 WIYSNGDIJLQJLC-RMRMTIIFSA-N 443.410 0.337 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800733277 BGQNVBJEFKKHHQ-YRXGXENSSA-N 433.892 0.086 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803142524 XVSBLMXBPCHOPZ-FRFSOERESA-N 431.880 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1813073977 NCJYXPVQESFQKA-HRAATJIYSA-N 427.509 0.426 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnc(F)c1)CC2)c1ccc(B(O)O)cc1 1815337307 RJFXKQGFVZPAAV-CQSZACIVSA-N 440.265 0.897 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cscn1)CC2)c1ccc(B(O)O)cc1 1815339567 HHEQBPOFKHTNPG-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCBr)[nH]n2)C(=O)N1 1815666229 WFRRMWDPVURDCW-NSHDSACASA-N 441.286 0.739 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235376 UZMCXGQVQOEPCD-JQWIXIFHSA-N 437.821 0.380 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1818107273 IIXONLLPLUUSOP-UONOGXRCSA-N 447.945 0.427 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCc2cn[nH]c2)CC1 1825185000 DMODJUXTGPCJPF-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)C(F)(F)F)sc2C1 1826146146 NKRIKKNNZODUAP-SFYZADRCSA-N 442.847 0.987 50 20 ICGD O=C(CN1CCOC1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049588 WVWVIFYDUBFAGO-LJQANCHMSA-N 443.309 0.052 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827252152 WRKJOWXRZSCZTA-OAHLLOKOSA-N 430.339 0.389 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)c1cccc(B(O)O)c1 1828184824 MUMRUZPHNHLUBT-HIFRSBDPSA-N 429.307 0.475 50 20 ICGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1830329007 NELWXVXTKKVUDX-KBXCAEBGSA-N 430.509 0.053 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730717 CGQREQYWZAMDLQ-XLIONFOSSA-N 449.895 0.141 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831697159 QKGQWEPZESIQON-FZKQIMNGSA-N 448.358 0.389 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386252 RGWMXWAVHPYBFS-QRWLVFNGSA-N 440.928 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(C)n3)CCO2)C1 1833466151 FANBXIVUEVRGIU-IFXJQAMLSA-N 429.876 0.853 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cn1 1834079963 KTRRUUYWZASMHB-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718164 IDZZIXHOEOWSBF-SFHVURJKSA-N 435.912 0.941 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837114016 XQCJCGFKVBEPGZ-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1Cl 1838305272 LNZLCHJXSZGNDV-MRXNPFEDSA-N 449.733 0.929 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)o1 1839199829 VMMGTAKLLINNQD-ZFWWWQNUSA-N 435.250 0.067 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1 1839200381 JLFKEIZIAGZWLS-CZUORRHYSA-N 447.261 0.246 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840030303 IFZVQFUTWHAVMF-QFBILLFUSA-N 446.386 0.958 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031903 GPRNVRXEMVTMOA-RAKGJIHJSA-N 433.299 0.346 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840149505 RHIGAMHQWPKDNF-SCLBCKFNSA-N 433.839 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840152437 HYWKLOQYDYIYLO-QRWLVFNGSA-N 440.880 0.739 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1)NC(=O)NCc1ccccc1 1842984546 SHXWJQXJKPHGBF-UHFFFAOYSA-N 441.492 0.279 50 20 ICGD N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccc(Cl)c1 1843013546 WEISBJMWISKRIT-SFHVURJKSA-N 427.697 0.537 50 20 ICGD COCCn1ccc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n1 1843514609 GVRCKBWVVUZPDT-HZHRSRAPSA-N 441.492 0.481 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[S@](=O)c1ccccc1 1846386006 UJAFVOUMSRJQIN-DFYVNMARSA-N 434.562 0.759 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCC(=O)NN(C)C)C1 1847553824 FKVSFEORWINEQX-MHORFTMASA-N 436.553 0.931 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNc3nnc(C)c(=O)[nH]3)c2c1 11335303 AOEVXWIYYYASGB-UHFFFAOYSA-N 447.477 0.515 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 17833231 IQTDJMXNBBXYRZ-UHFFFAOYSA-N 435.414 0.757 50 20 ICGD Cn1cccc1C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 726538461 LVFSGDLQVDNAKP-UHFFFAOYSA-N 447.517 0.099 50 20 ICGD COc1cccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 727351062 ZFUMPKOBDUXELX-UHFFFAOYSA-N 427.504 0.634 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 730370929 WPVYVKMEOMHFJQ-LBPRGKRZSA-N 434.449 0.877 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCCN2C(=O)CNC2=O)cc1Br 732245724 ACMYGSKCSICDIE-UHFFFAOYSA-N 428.243 0.344 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)COc2ccccc2C#N)cc1)S(C)(=O)=O 732475592 HXCYNBSOCMUNOX-UHFFFAOYSA-N 431.474 0.863 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 733128694 LWPKWMRQCKQBGJ-FEEIMYBTSA-N 428.470 0.435 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733348172 LYRPLGYJCNFLQK-UHFFFAOYSA-N 434.522 0.325 50 20 ICGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 733659728 BZHRPHGCJAHASY-MRXNPFEDSA-N 425.555 0.352 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 735056079 XEVFVDYUYSWNDR-UHFFFAOYSA-N 431.453 0.440 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 743283161 XIYOZEHPEXWZCA-UHFFFAOYSA-N 447.513 0.951 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)c1cccc2ncccc12)N1C(=O)c2ccccc2C1=O 746228823 HRQGJEJGASPISJ-GOSISDBHSA-N 445.435 0.926 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1cc(I)ccc1-n1cnnn1 747324945 UCGCHMULFBJIDI-UHFFFAOYSA-N 449.212 0.666 50 20 ICGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 747607345 ADYUZJMOXITQNC-UHFFFAOYSA-N 442.471 0.509 50 20 ICGD C[C@H](Cc1ccncc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 749620221 LMHCMCUABVANIC-OAHLLOKOSA-N 433.538 0.670 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cnnc3)cc2)cc1OC 750618817 FXLUTGMTDJSQKA-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cc(Br)c[nH]1 750842541 ZSQLXSHPARFXLK-UHFFFAOYSA-N 427.236 0.383 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2sc(C)nc2C)cc1 751207719 OOZKWVOKPJAJDK-UHFFFAOYSA-N 432.549 0.699 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 755624554 VYPIRDXDPCXNOM-UHFFFAOYSA-N 426.433 0.979 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2c1=O 763066489 ZWLFAVIDYUDWHN-UHFFFAOYSA-N 430.465 0.744 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1C 763679750 LASZBEPOLNMWOH-UHFFFAOYSA-N 439.472 0.994 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl 763802799 HDBDKWCMYAJDGT-UHFFFAOYSA-N 449.807 0.773 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763932842 VUCLCHFYAAWDFA-UHFFFAOYSA-N 443.847 0.720 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1Br 764327007 SLCKSZWDOMWKOU-UHFFFAOYSA-N 449.261 0.885 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 764427043 XTPRCOMSXYTDHH-SFHVURJKSA-N 438.440 0.391 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767890094 ONYVFHBVGRDMQD-UHFFFAOYSA-N 425.489 0.909 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CSc3nnnn3C3CC3)n[nH]2)cc1OC 768276799 LVHZOGKOVXUDQK-UHFFFAOYSA-N 444.477 0.969 50 20 ICGD CC(=O)Nc1ccccc1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 769464875 NGQYBDGEPPMWBH-GOSISDBHSA-N 427.413 0.718 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 770646724 GQAVUOMHCCVTMX-ZDUSSCGKSA-N 439.900 0.517 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(-c2ccccc2)on1)c1cc[nH]n1 770821411 JAZUKXRLYWEHNI-UHFFFAOYSA-N 426.389 0.810 50 20 ICGD Cc1cnc(N)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 773226596 LHULFKRXKRJPOJ-UHFFFAOYSA-N 439.519 0.380 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C(=O)NCC(F)(F)F 775669475 KDVPNHIKHVZBMZ-UHFFFAOYSA-N 448.379 0.669 50 20 ICGD COC(=O)c1ccc([C@H](NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F)cc1 776024017 YOYHMWKJYBDCBR-KWQFWETISA-N 440.400 0.345 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)c1 783433687 YTIAUTVGASLDMU-UHFFFAOYSA-N 425.405 0.686 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005156 RFDIUUHYMYABDF-ZDUSSCGKSA-N 445.501 0.489 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cn1)NC1CC1 784800086 RNPBOPNALQTXSC-UHFFFAOYSA-N 444.839 0.947 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785060843 OXGSOMYIWQCWRI-UHFFFAOYSA-N 427.417 0.689 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 787541854 FGDOKOXTPRKECN-UHFFFAOYSA-N 425.445 0.862 50 20 ICGD Cc1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1F 789731128 DEDUCXRWNREZQQ-MRVPVSSYSA-N 436.259 0.417 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1cc(Br)c[nH]1 789828662 AKPOGHYMYRWUPT-NSHDSACASA-N 434.316 0.632 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)Cn1cnc2ccccc21 792017725 NHAXDHQNUODNPY-SFHVURJKSA-N 437.378 0.815 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc(Cl)cc1C(N)=O 793021841 LTWYXJDCUOLAFU-UHFFFAOYSA-N 433.852 0.913 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C(N)=O 794599113 UQEKXUNRIXJIHW-UHFFFAOYSA-N 436.446 0.030 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1 798316018 SNUWJXRDJHEOPN-JTQLQIEISA-N 426.421 0.320 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)COc1ccccc1O 801798680 ZXCYHKXTMZQRNB-AWEZNQCLSA-N 436.490 0.859 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2CNC3=O)cc1 806975229 RCDONXRRCREYCS-GFCCVEGCSA-N 426.429 0.882 50 20 ICGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 808087879 YTTKKJOTXFDFIG-UHFFFAOYSA-N 445.544 0.671 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cnc2c1 915635902 XQWATAHMYWIFSK-UHFFFAOYSA-N 429.458 0.328 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1cccc(S(=O)(=O)NC)c1 916485933 NTGYKLYWIHXSIG-UHFFFAOYSA-N 436.490 0.903 50 20 ICGD O=C(NC[C@H](c1ccccc1)N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916509065 KDBFNIBXGHBZKS-LJQANCHMSA-N 436.476 0.680 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 916551070 JZRFCXKWYFXHHH-QGZVFWFLSA-N 439.266 0.696 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N[C@H]1CCS(=O)(=O)C1 921019890 DBCVDJBAGMGGPW-HNNXBMFYSA-N 439.515 0.945 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1317869105 BFZCATLQCLHKCN-UHFFFAOYSA-N 429.525 0.295 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cc1 1358156382 BBVFIDIACSVGSU-ZDUSSCGKSA-N 435.506 0.878 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778030594 MHLSYPWKUWNQRV-ZXFNITATSA-N 436.864 0.530 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@H]2C1 1779266890 ZFRZFXDZUKJXHD-BYXWFHEMSA-N 449.596 0.214 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1780095863 YRJBFEDRXRQHIS-LGHNAOJLSA-N 447.444 0.735 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1782001318 DEVGNWVUGDTIJS-JJRVBVJISA-N 428.331 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782349834 BQTAZRPGKUAJSP-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1783533975 NJDSIVJVBTVCJI-TVQRCGJNSA-N 431.205 0.705 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783964091 KAROQHFMTJDFRW-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1783974906 WJRQZZBAJDIMGZ-AICCOOGYSA-N 428.331 0.850 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983368 ZUBWUYYQVRQBJT-TVQRCGJNSA-N 430.221 0.278 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979661 IJJYSSPJNSTGAW-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cccc(=O)n3O)cc2)CCC1)c1cccc(B(O)O)c1 1787079004 LECYVQMEICIIPZ-UHFFFAOYSA-N 447.256 0.827 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791344436 HVULXEZOHMOXDR-MRLBHPIUSA-N 430.343 0.523 50 20 ICGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NCc1ccccc1 1792938723 YHNGRRNBDRSLBA-WOWMTTPYSA-N 435.908 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888250 BNEWSKDUPQNCEZ-NEBZKDRISA-N 439.310 0.783 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(F)cc12)c1ccc(B(O)O)cc1 1798141102 QNLNCIMPDRYJQL-BJWYYQGGSA-N 436.252 0.947 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(B(O)O)cc1 1800341074 YLUNWEWJLOTXJU-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802969290 CHPSILWUALOVMX-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067750 BVTGICJMKFNLKB-KUDFPVQQSA-N 446.552 0.375 50 20 ICGD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1813458644 UYYYPFHBHULHDQ-UGKGYDQZSA-N 447.304 0.057 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354708 BLZGFLCBJZGMPP-MYSGNRETSA-N 443.290 0.168 50 20 ICGD COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)nn1 1820042769 ONJMCDWNKHAOQL-OAHLLOKOSA-N 444.496 0.887 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1821496912 FNTYHIBJBWSIAY-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD O=C(Cc1ccc(O)cn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822889955 DEUDWNYTNJOGCK-LJQANCHMSA-N 449.276 0.739 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824396844 FLXSYFPAVJSSCQ-OXJNMPFZSA-N 443.353 0.514 50 20 ICGD C/C(=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827059765 IPJBYUHRICMDJK-RXHHAWBHSA-N 428.294 0.631 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1830537123 BSTUSCGYAQLRNA-MEDUHNTESA-N 447.355 0.826 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1831395222 RRSZQAKDPOXDMM-QVWJKXSPSA-N 444.536 0.876 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832855638 QLSHNLNGJYYQGL-UZLBHIALSA-N 441.912 0.079 50 20 ICGD COCCn1nccc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310471 KGJSLDASCNNNBJ-SFHVURJKSA-N 441.960 0.314 50 20 ICGD C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833477366 RXLHQYULFBJNMP-QGZVFWFLSA-N 437.585 0.522 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccns1 1834050374 VHXKJBHTRIOAPE-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1834084207 JGQCWAKEPWAAAC-BBRMVZONSA-N 431.262 0.546 50 20 ICGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)c1ccccn1 1834822426 NDZREEQSYIQPSA-FUHWJXTLSA-N 441.326 0.323 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826260 HXABTTRWFMZWKX-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CC(C)(C)n1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1 1836173346 LZKGAPBFEGECFZ-KRWDZBQOSA-N 440.976 0.818 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837399596 XKDVEPNTIZHVOT-JXFKEZNVSA-N 428.602 0.867 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1ccnn1 1837715971 UKNUMHMZNFGRHU-QAPCUYQASA-N 425.562 0.147 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1 1838352131 BSPRWEZFTFGHAO-ROUUACIJSA-N 447.319 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccnc4c3)C2)C1 1840152195 ASLMCEBQRVJCNG-HRAATJIYSA-N 448.907 0.954 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188505 NIXWTGJOMYSFLC-PXAZEXFGSA-N 432.308 0.537 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841289021 GITHJPJPFIRJRZ-GFCCVEGCSA-N 441.282 0.991 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CBr)C1 1841289514 DIEXRVAQOGGXDL-IUODEOHRSA-N 440.342 0.691 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841351141 GYJNJNADOGHTPL-SOUVJXGZSA-N 445.944 0.407 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014237 OGFKNECXJSGRDY-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(C)C 1843416345 ZENVNYAZQBTGOR-DMGPTTAYSA-N 431.493 0.912 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 26974160 IAXVURFHZJLNKM-VGOFRKELSA-N 438.440 0.749 50 20 ICGD CCn1nc(C)c(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C 727604754 HVJMVRFXCPDYFC-UHFFFAOYSA-N 436.538 0.979 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845935 QQYYRPAVJZQRDU-MRXNPFEDSA-N 438.554 0.435 50 20 ICGD NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)COc2ccccc2O)c1 730779249 YXKIFACPWINYTM-UHFFFAOYSA-N 444.263 0.642 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)Cc3ccccc3F)CC2)c1 731329079 WKVKKOPDGAQEOP-UHFFFAOYSA-N 448.520 0.976 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)O1 732261834 FSCJIARWVVPRRQ-KZNAEPCWSA-N 435.544 0.983 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(CC(F)(F)F)C1=O 732573655 WCWDNSYFJYDQOK-SECBINFHSA-N 436.416 0.087 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2cc(C)nc(C)n2)cc1 736711588 BVHRCQRHNGVMCR-UHFFFAOYSA-N 434.522 0.997 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 742479681 CAJMKEIFULYJJR-DTTOXWODSA-N 431.445 0.407 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c2ccccc2c1=O 746308432 NXYVVODAWJQENF-UHFFFAOYSA-N 443.485 0.670 50 20 ICGD Cc1cc(NNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)ccc1Br 748606409 HHRJUSFTCNIWRM-UHFFFAOYSA-N 430.284 0.606 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@]1(N(C)C)CCSC1 748647513 OLICKLHEVHWLBE-QGZVFWFLSA-N 428.584 0.669 50 20 ICGD O=C(CO)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 753439248 WWEFZQQNSCRCTJ-MRVPVSSYSA-N 426.314 0.194 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 755055052 GQLMKYFDJLAXIW-ZDUSSCGKSA-N 447.473 0.720 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c2ccccc2c1=O 756157683 CPKGWRXGHYEZEC-GFCCVEGCSA-N 425.424 0.691 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NNC(=O)Cn1nc(C)cc1C 756249009 RWOLHWUBFUPLMJ-UHFFFAOYSA-N 443.508 0.749 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1S(=O)(=O)N1CCCCC1 756286994 NVEWXXWJFICCCY-ZDUSSCGKSA-N 444.535 0.449 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3cccn3C)cc2)CC1 756359625 PJEZBUFCUUBWRA-UHFFFAOYSA-N 427.509 0.702 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccs1)C2=O 757836457 GCYXYNCLJPYAON-RYUDHWBXSA-N 436.490 0.799 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758027272 WEPSROUNCRSECA-UHFFFAOYSA-N 445.461 0.798 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1 763694029 GTWNJHOPJHBXKU-UHFFFAOYSA-N 437.254 0.470 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 763863814 CKTWYVJVVILUQG-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763974167 MDSXRQASJSTAQD-UHFFFAOYSA-N 448.819 0.348 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1 763997191 YKSXSQZLDSGHFL-KQWNVCNZSA-N 446.489 0.238 50 20 ICGD C[S@@](=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764203672 NTOTYUALMYXOJR-GDLZYMKVSA-N 426.495 0.815 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 764398961 IXOPIAUUEPTYIM-SNVBAGLBSA-N 426.376 0.974 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734624 ANRPETGQAVBXCJ-UHFFFAOYSA-N 425.445 0.743 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767288638 RZYMQASBOCLJOG-KRWDZBQOSA-N 439.534 0.822 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 773696429 ARJYECQVVHJIIS-UHFFFAOYSA-N 447.448 0.800 50 20 ICGD C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 776185393 JDAMXIMZFMPEDW-CQSZACIVSA-N 430.534 0.585 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 778436608 MZQPTJNPFKOZMN-FQEVSTJZSA-N 431.449 0.052 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(F)(F)F 778627775 YJEKJVQQTIFNPC-HNNXBMFYSA-N 438.407 0.415 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(OC)c1OC 784003949 APEWSDRXZDPGRJ-UHFFFAOYSA-N 436.446 0.290 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(Cc2ccccn2)C1=O 784174015 JQTLEGFKFWTSCD-KRWDZBQOSA-N 435.448 0.193 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(OC(F)(F)F)cc2)c1 784801552 FIYKKZAZDDKHSP-UHFFFAOYSA-N 439.350 0.882 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 785060751 LHARZGQZXDMNHT-UHFFFAOYSA-N 440.435 0.639 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 785703153 BZYLDWKAOIPVBH-QAPCUYQASA-N 430.413 0.129 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)N1CCOCC1 799919880 LZOSNXQEQBNSQJ-UHFFFAOYSA-N 438.691 0.985 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 800055603 QXRMRKQJRHZXNP-BXUZGUMPSA-N 447.539 0.144 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C3CC3)c(C)cc2=O)cc1 806343776 PXYBTYOMZQXWNQ-UHFFFAOYSA-N 432.502 0.882 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810385708 ZEIXFZBNFQJLNL-UHFFFAOYSA-N 435.400 0.312 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 815752267 LHMWJXYECAZGOL-UHFFFAOYSA-N 431.474 0.903 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3c[nH]c4ccccc34)c2)CCN1 906717568 QVHZSBPVZUDBOA-UHFFFAOYSA-N 441.469 0.363 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 915596652 HBMIPRHCWUHEIK-UHFFFAOYSA-N 439.421 0.257 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCC(=O)N1CCOCC1 916251349 HCLIILBQIWPARF-GFCCVEGCSA-N 443.298 0.796 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnc3n2CCCC3)cc1 916649741 RNYOSAYDZAVRCK-UHFFFAOYSA-N 435.510 0.074 50 20 ICGD CS(=O)(=O)c1ccc(OCCCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1318018530 DFURMKLGAIKPSX-CYBMUJFWSA-N 432.520 0.221 50 20 ICGD CC(C)(C)c1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nn1 1318597884 WDODYPMOQUZMMG-UHFFFAOYSA-N 432.506 0.652 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1328654835 ZOPZCHNMNWVZEU-HNNXBMFYSA-N 446.570 0.843 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1780098024 YRJBFEDRXRQHIS-IVZHQMGZSA-N 447.444 0.735 50 20 ICGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780200437 AKXYEICPBNLUIH-UGSOOPFHSA-N 439.831 0.656 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781214523 ZFLIECVCVVBNJI-CRAIPNDOSA-N 429.926 0.946 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781224418 KACLIUHVEIZAJT-OALUTQOASA-N 443.331 0.878 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1781326755 STWMBFBDPRTVAM-YOEHRIQHSA-N 443.273 0.332 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@](C)(Cl)CCl)C2)n1cnnn1 1782604894 VBUQDIGHCIPFTI-UWWPHRKUSA-N 433.340 0.984 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782736869 PUDHECZYYMMILO-SXZJYBDHSA-N 443.529 0.825 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1)n1cnnn1 1783974861 VZBCOVCRIAICOB-PEDHHIEDSA-N 429.319 0.245 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785085412 FAWIFDNMUPJDII-OAQYLSRUSA-N 448.206 0.541 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788507083 SPIBBIVRVZLDMA-CYDGBPFRSA-N 443.346 0.473 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789868589 YMJWZMINHFDLDW-GBIDUEILSA-N 440.324 0.267 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1790961688 ORWYPSVQFZRODM-AJNGGQMLSA-N 430.343 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 1791291549 ZCAPWOVMBARKFF-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792979948 PMHBPQGSDATOMM-RDGPPVDQSA-N 431.537 0.742 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1=O 1798207979 XHOIBGNYAWYGBQ-MUJYYYPQSA-N 447.256 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cc1F 1798998511 LCGIRWSRCDJGBT-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD O=C(Cc1[nH]nc2c(Cl)cccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799075101 FVDFXNBDQIBVFD-VODVUFLWSA-N 441.315 0.948 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2)[C@H](F)Br 1799347396 JPSGUVDJSXXRTF-FQPOAREZSA-N 435.225 0.676 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)n1ccccc1=O 1799348983 FHSSSYGIEJRIOY-GGUBGCTKSA-N 430.274 0.689 50 20 ICGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)cc1 1802230757 FADQHQCMZLMLCV-DLTLXFJOSA-N 428.844 0.976 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1 1807047603 JQCCOINOZUEVSQ-JURCDPSOSA-N 444.305 0.371 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369127 BAUURNABHKJPEM-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)nn1C 1816426565 IWPYONXBXBFMEA-GOSISDBHSA-N 436.281 0.751 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnn1 1817477088 LKVMKHQUCVSGRR-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1826999713 AHFHVXLNVYTCCI-KRWDZBQOSA-N 441.492 0.661 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC(O)C2)CC1 1828923392 IDTGYUOLTYYDNU-RJYAGPCLSA-N 429.521 0.689 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1830533717 SSNWXXVYAICRPB-GLJUWKHASA-N 446.342 0.000 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1C 1830537659 MBCKKUAMQRIJAF-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833260617 RIRJLPBXQLOLER-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CBr)CC2)CC1 1833265058 NSWUAUMMKIVEBD-CYBMUJFWSA-N 431.375 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)cn3)CC2)CC1 1834337846 LYOODONGXOMCND-UHFFFAOYSA-N 446.552 0.345 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1835736692 BSIBSKOIHVVFNL-MRXNPFEDSA-N 440.907 0.405 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1 1837652044 ZPZLLORKFLYNOQ-UHFFFAOYSA-N 444.374 0.610 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799205 WSTLFVWHAFQTJE-ZUZCIYMTSA-N 446.258 0.171 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c[nH]1 1837920241 LATOENNQGPGHAD-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838177544 AKFKZBKLKKNLQJ-JXFKEZNVSA-N 441.912 0.722 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839150280 HTXJHELRWZAKQD-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839155600 YWMQLXYIEJCJHE-QZTJIDSGSA-N 447.319 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840149119 DWDUAMPWGWECAO-XLIONFOSSA-N 442.896 0.481 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)cc1 1841353591 GEICIHOXEGWDGK-MRXNPFEDSA-N 428.938 0.826 50 20 ICGD N[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1842938669 GQJTVYMGIDICFD-SFHVURJKSA-N 427.697 0.537 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)[S@@](=O)c1ccccc1 1843014833 HHVQUOVBWGNMBL-RKXCMPKHSA-N 440.330 0.380 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015242 WGORDYLZMXUHHQ-CQSZACIVSA-N 431.298 0.097 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl)c1ccccc1F 1847565434 QDOQJPYYUAFOPF-OGNFBWPZSA-N 425.888 0.979 50 20 ICGD Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NNC(=O)C(=O)NC2CC2)c1O 9889448 ISNJFYLXXOYKAF-UHFFFAOYSA-N 436.424 0.536 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725873745 QDVZMPWVFKYGGG-UHFFFAOYSA-N 439.519 0.095 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)cn2)CCO1 725874240 YGJFENAGKQDEFW-ZDUSSCGKSA-N 432.506 0.629 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2=O)cc1 726523151 CQXZDRDNQPYDKY-HNNXBMFYSA-N 449.467 0.752 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1 728214600 BMHHBBMXCRBQQY-MRXNPFEDSA-N 437.566 0.714 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c(F)c1 730811610 AFRFQSQXTKMCCK-UHFFFAOYSA-N 433.439 0.291 50 20 ICGD CN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 731864835 AVFVDTVUEFBXGY-UHFFFAOYSA-N 445.545 0.174 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)Cn3cnc4ccccc43)C2=O)cc1 733775181 ZWGSLIPQWMQYTD-QGZVFWFLSA-N 445.439 0.961 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(-n4cccn4)n3)cc2)CC1 736675536 KOVJFXSCFBTGGP-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CN(Cc2ccccc2)CCO1 741280391 YJGACPPVQUFIEV-QAPCUYQASA-N 429.477 0.629 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 742039293 DAIDNZMLBMXWGB-LBPRGKRZSA-N 446.489 0.820 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743830415 UPOIQHSDMBQKNZ-UHFFFAOYSA-N 440.503 0.773 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 746762727 RCXAGZCXISZACD-UHFFFAOYSA-N 449.515 0.946 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccncc3)CC2)cc1 747324935 SLDKOJZUYAIUEK-UHFFFAOYSA-N 427.486 0.744 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(Br)cc1F)c(=O)n2C 748185593 XBFDTIZXTYOFDO-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2OCC2CC2)n(C)c1=O 756705290 SNVIBNIHLGELDB-UHFFFAOYSA-N 441.448 0.075 50 20 ICGD CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 762735543 ASUBEMGXPBNXSR-UHFFFAOYSA-N 445.906 0.856 50 20 ICGD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NNc1nccc(N2CCOCC2)n1 762850851 LKFVYVXJUOXFPG-UHFFFAOYSA-N 435.828 0.748 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N(C)C 763718808 NAIAYUJNDWAJLM-UHFFFAOYSA-N 447.517 0.711 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 763775396 QLWRVAGEOHHZRT-UHFFFAOYSA-N 426.429 0.996 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 763780653 CPQSQZWGPCSYMU-UHFFFAOYSA-N 444.469 0.539 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 763893408 UWJCSZVFTGXEHB-GASCZTMLSA-N 429.481 0.295 50 20 ICGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001846 FZGTUHBYHDYALZ-GFCCVEGCSA-N 425.463 0.117 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cccc4cccnc34)cc2)c1=O 764143616 JYEVCEXOJRKJNN-UHFFFAOYSA-N 431.412 0.519 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 764154779 UWHWLUYCOGQNDZ-IAGOWNOFSA-N 425.397 0.105 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 764200159 VUQSWVKAXQIMAF-UHFFFAOYSA-N 446.552 0.419 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 764343749 RNIRRXLLCPUNMG-YEJXKQKISA-N 444.492 0.096 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764367226 KPLYTPDWTUHCKD-UHFFFAOYSA-N 428.445 0.700 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764431330 BLVLQFVPZWEPNG-CYBMUJFWSA-N 426.401 0.674 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 764431952 HDXUHIKOHKKOOR-GFCCVEGCSA-N 437.346 0.605 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc1OC 765319039 CKZQOEULYRFVRG-UHFFFAOYSA-N 444.510 0.669 50 20 ICGD Cc1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 765633622 BKPQOQYFDCYMGP-SECBINFHSA-N 426.314 0.437 50 20 ICGD CN(C)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 766312384 SAURWNFVRFRRIQ-VIFPVBQESA-N 440.341 0.259 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767679596 ILHOZGBBHZMWNG-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNc3nc(O)c4cnn(C)c4n3)n(C)c2)C1 770974102 JBPILYYQYQHTIA-NSHDSACASA-N 448.509 0.585 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(OC)n(C)n2)cc1Br 773497129 QSWFBBZGYLYCRD-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2C[C@H]1C 777938918 HYULMPHTIBWPBU-LLVKDONJSA-N 426.495 0.818 50 20 ICGD CN(NC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(N)=O 778418991 YGCKKFDJENXTQT-UHFFFAOYSA-N 447.945 0.922 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 782964245 BIJCPZKPAVWVNT-UHFFFAOYSA-N 432.383 0.908 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1C 783316276 NCLCAUKPAKBVLD-INIZCTEOSA-N 441.492 0.497 50 20 ICGD CN(NC(=O)CC(=O)NCC(F)(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705095 VIQCDNFWHAUUID-UHFFFAOYSA-N 425.408 0.691 50 20 ICGD CCn1nc(C(=O)NNC(=O)COCCNC(=O)c2ccccc2)c2ccccc2c1=O 784579994 LFWVQNXOCWHGJM-UHFFFAOYSA-N 437.456 0.624 50 20 ICGD Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 785948504 IGBDDYKROWJGAL-QMMMGPOBSA-N 435.256 0.797 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 793039664 PAVUJJHCLWFZHD-UHFFFAOYSA-N 441.460 0.572 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)c1 794222940 TUOPENVNEUBXHN-UHFFFAOYSA-N 439.396 0.870 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 797369133 OPCGWWJVKKQNAU-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1F)S(=O)(=O)c1ccc(F)cc1 798048068 FPJMYDQBHKSYFA-UHFFFAOYSA-N 442.444 0.995 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 808094198 FPLGJKAIFRYJRH-UHFFFAOYSA-N 449.574 0.488 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 808101147 UCANAGSVRPNFMI-UHFFFAOYSA-N 436.531 0.432 50 20 ICGD CCc1c(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccn1C 810592497 NDYRLHICMAFNGE-UHFFFAOYSA-N 447.561 0.663 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nn(C)cc2Br)cc1 814364369 ZASPLQCNHVURAN-UHFFFAOYSA-N 444.311 0.573 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccnc1OCc1ccccc1 815691826 CAESLTHTXDRFMU-OAHLLOKOSA-N 435.444 0.601 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21 914717842 ZGNJDMXRASZEOH-ZDUSSCGKSA-N 449.533 0.890 50 20 ICGD CCNC(=O)c1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 916392248 SFPFBDWPESDWDD-UHFFFAOYSA-N 432.506 0.874 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919883040 ADKBGZJARBKVRR-CYBMUJFWSA-N 446.551 0.157 50 20 ICGD O=C(/C=C/c1ccc(I)o1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885886 OWDVVDDJDPDSJU-KHVHVRLGSA-N 439.231 0.415 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)nc(O)n3C)cc1OC 920699257 SYJVUHQELYISQX-UHFFFAOYSA-N 428.401 0.914 50 20 ICGD O=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NNC(=O)[C@H]1COc2ccccc2O1 928980822 KPHDNXZXVVLJFU-LJQANCHMSA-N 436.424 0.945 50 20 ICGD Cc1ccc(C(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)s1 1318940705 CLOLCOXRANJOPU-UHFFFAOYSA-N 438.531 0.951 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1n[nH]c2c1CCCC2 1322108518 FODVHXALORUHTN-UHFFFAOYSA-N 439.519 0.446 50 20 ICGD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2cccnc21 1778766283 UNLVXCDENLMPCJ-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD CC(C)c1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779028125 DXJYAJRNFJATJB-OAQYLSRUSA-N 442.476 0.554 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029595 ZIWKROUQYJLQEQ-FQEVSTJZSA-N 429.502 0.812 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779725655 KCVFRPQYTWBWBB-KRWDZBQOSA-N 429.930 0.613 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780363766 ANGZCIXXGPZKIX-JOYOIKCWSA-N 444.183 0.958 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1781858499 LSAHKFRIDZPMPC-HNAYVOBHSA-N 445.589 0.511 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1783345100 XPXDZNYXRXKTGW-PXAZEXFGSA-N 428.283 0.703 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1783877594 LASSBCUBLMAVKN-YJYMSZOUSA-N 426.901 0.622 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cc2n1 1783933730 GAWYSYLNNSSWIC-QFIPXVFZSA-N 443.504 0.953 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c[nH]nc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984620 WDJJGHXXRKCTPN-VDGAXYAQSA-N 448.288 0.150 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2ccc(C3(NC(=O)[C@H](O)CCl)CCC3)cc2)CC1 1789212399 APYAMJXHKBVTDH-GOSISDBHSA-N 436.940 0.884 50 20 ICGD Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1789223476 ZWWPJSPWGVPUTJ-HQRZJTNHSA-N 430.274 0.669 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790643775 VYXUUIMFZSDURT-QTVXIADOSA-N 428.331 0.992 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749013 GDJLWJHQDCEANH-HTVCTNPSSA-N 437.356 0.327 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccn4n3)C[C@@H]21 1791290992 HVKHSGSUJWZFEH-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793168648 WAYWVKCUICCLJH-CRWXNKLISA-N 449.932 0.327 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)nc1 1794428746 ADNSKYZIDWSUQV-DDFAGTSDSA-N 436.317 0.492 50 20 ICGD O=C1COc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cc2N1 1796189092 VLGWZNFWBLVSJB-BCDXTJNWSA-N 449.272 0.263 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1)C2 1797753013 QKZFJCRPJPAQRC-ZSBFGKGUSA-N 427.436 0.341 50 20 ICGD Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1800617438 KQNGNOSVKPXQDV-IBHRTIHJSA-N 436.317 0.682 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800636933 DYFGIJNIDUEYDX-RKOFLFEYSA-N 425.323 0.963 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802654051 MZMQNPYUGRCKQB-WIYYLYMNSA-N 425.294 0.506 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCBr)[C@H]2c2cccnc2)O1 1803642023 ADZFZHLUDGZMLG-IPYPFGDCSA-N 425.283 0.981 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnc1 1807366977 WMZXWKRYPMDYSA-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807712801 RTTOQBNUKQDLJG-JSRQGNBESA-N 439.354 0.984 50 20 ICGD COCc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1 1809977615 KMGYBKLTDDRFBI-UHFFFAOYSA-N 439.321 1.000 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977972 NVQYVEIPIHIFCN-INIZCTEOSA-N 429.326 0.126 50 20 ICGD O=C(Cc1cnccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350243 LHXNJWDJAAXEJC-AWEZNQCLSA-N 437.290 0.081 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819401722 PLJOKIAADMGXQI-KGLIPLIRSA-N 435.872 0.314 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1 1820336474 DHMHNYXGNSKJHM-NSHDSACASA-N 432.506 0.843 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc[nH]2)CC1 1825641243 FOMJPAGAOFMWND-QGZVFWFLSA-N 425.493 0.955 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)C1(O)CCC1 1829743446 JTFSKOKMCSAECU-XJKCOSOUSA-N 437.306 0.684 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1830177229 ATBLOVIUBAWFAV-CRAIPNDOSA-N 448.900 0.695 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1830537032 AMTORLIFSHDDJZ-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1830537763 OBNIUXCSHHJECN-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD Cc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830724671 ALXPABFZMKVXFG-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831653907 GOLDHWNZHUKBII-UZLBHIALSA-N 425.913 0.863 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1834773397 NPPPUJNQTMJHIG-GHOSXJJBSA-N 428.558 0.414 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)[C@@H]1SC(=N)NC1=O 1835111100 APWSHVBHPUWCCN-BPNCWPANSA-N 447.964 0.895 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835867040 HKAWJHZKUOHQKE-CQSZACIVSA-N 428.877 0.103 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1837713165 KTRHRWHOCSGMNJ-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C3CC(=O)C3)CC2)CC1 1838395498 XMRJOXKDRBTVMM-UHFFFAOYSA-N 443.504 0.276 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839156636 WJZJGQYHCHWENE-HOTGVXAUSA-N 445.365 0.114 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200157 GKDKSGJQCBNVMU-IOASZLSFSA-N 425.295 0.947 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203451 LODLOEGXESTDFA-DOTOQJQBSA-N 436.322 0.619 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840153177 GWUDTNPWEDZCNZ-BEFAXECRSA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840154639 BCJZEXAOXIPXDG-FOIQADDNSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1840156340 QWDZWGKKSAMHDS-GJYPPUQNSA-N 428.917 0.463 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)C(=O)C1 1843367617 QVCZFOFLCFFJGE-OAHLLOKOSA-N 446.907 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843415832 RWQVRVJEYLQHCP-MFKUBSTISA-N 427.509 0.606 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844671037 ZRQMWOSGAJOAOJ-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@H]1CNc3ccccc3O1)C2 1846385021 LCVRTISVVYMTRX-INIZCTEOSA-N 429.521 0.826 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848065193 CWIOBQWSHLUUFT-FKBYEOEOSA-N 433.317 0.239 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1 14890508 RQOVXSKEMOTURI-UHFFFAOYSA-N 438.531 0.908 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 21875009 OKSKYYWWAHSVTR-UHFFFAOYSA-N 432.458 0.594 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 26318691 AVPNOYQBDGFCRV-UHFFFAOYSA-N 438.487 0.055 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CNc2ccc(C)cc2)c1 105184803 SMBTUHFOGLIMJN-UHFFFAOYSA-N 449.533 0.447 50 20 ICGD Cc1nnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 726871438 RZQCUTUNHLFUBF-UHFFFAOYSA-N 426.480 0.334 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214559 AEXZLHFXPYTMOX-UHFFFAOYSA-N 437.482 0.179 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCOC[C@@H]3CCCO3)cc2)CC1 728216084 PVMACVDZOXWYOI-KRWDZBQOSA-N 426.539 0.652 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)nnn1-c1ccc2c(c1)OCCO2 731457676 PGYCJDZSMCZSNH-UHFFFAOYSA-N 426.389 0.131 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCNC(=O)c2cccc(F)c2)c1 732469012 UUCWSRICQRICIQ-UHFFFAOYSA-N 436.465 0.993 50 20 ICGD O=C(NCCN1CCSCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 732891880 JKHHTDKTGMYGBU-UHFFFAOYSA-N 441.579 0.464 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O)c2ccccc2c1=O 733663087 SSZWSRAPKJBDAV-ZDUSSCGKSA-N 437.522 0.964 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CCn1cc(S(N)(=O)=O)cn1 734253106 RZTASPMYPQHBLO-UHFFFAOYSA-N 444.539 0.141 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1OC 734486367 GYKSMDYHTSYAGN-UHFFFAOYSA-N 440.500 0.984 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742501233 RSCVMANXBBIHAY-UHFFFAOYSA-N 443.279 0.121 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 743598345 HTPRVXBETLDRQM-UHFFFAOYSA-N 430.556 0.467 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 756836981 CXOKUKQPXHZXJZ-OKILXGFUSA-N 425.449 0.857 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048487 TTYNBSHQMRZKAX-ZFWWWQNUSA-N 428.511 0.413 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nc(O)c4ccccc4n3)c2)CCN1 758299145 CXGIZUPPZXKNSJ-UHFFFAOYSA-N 442.457 0.213 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 760359983 GFAASMCBDRZDIX-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD O=C(NNC(=O)c1ccc(I)c(O)c1)N[C@@H]1CCS(=O)(=O)C1 760854254 SAVGTZDVXLFKBU-MRVPVSSYSA-N 439.231 0.128 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNc3nccc(N4CCOCC4)n3)cc(-c3ccco3)nc12 762862882 ZTBHITASXIHZEU-UHFFFAOYSA-N 449.431 0.472 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 763665653 MDJALJVRENIIMZ-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 763732455 FMYLRPIGTVSGPV-UHFFFAOYSA-N 446.485 0.604 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)ccc1OC(C)C 763916922 YSCMNIPNAIVFAH-UHFFFAOYSA-N 446.464 0.747 50 20 ICGD CCc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)c1 763996861 GHXAKZICWZSRNR-CQSZACIVSA-N 446.485 0.957 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764169322 VBGBMDOOXYVYGE-YVEFUNNKSA-N 426.429 0.750 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 764231840 QHSKXZYUGGQNNT-NSHDSACASA-N 445.929 0.354 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 764280661 FGRYFFVPYJTKLJ-UHFFFAOYSA-N 428.445 0.626 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764292834 GLCFAIPXMWUDFM-UHFFFAOYSA-N 426.477 0.919 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC(F)(F)F)cc1 764812706 PCGPGJVDKQLBAL-UHFFFAOYSA-N 438.366 0.873 50 20 ICGD CC(C)Cc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765725892 USYNIGHTNTWIIE-UHFFFAOYSA-N 426.477 0.022 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 767244092 OCRJTQNJFWATMJ-UHFFFAOYSA-N 428.401 0.566 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 771941000 POYFXYQBUAMQEJ-LLVKDONJSA-N 435.449 0.758 50 20 ICGD O=C(NNc1ncc(Cl)cc1Cl)C(=O)Nc1cnn(CCN2CCOCC2)c1 773673691 OUDZXTZFEVXWLB-UHFFFAOYSA-N 428.280 0.999 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003654 KKMLASSUBRECEZ-UHFFFAOYSA-N 433.490 0.204 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 784004166 BQUUAJYCJHDDCB-UHFFFAOYSA-N 431.430 0.221 50 20 ICGD Cn1c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc2c(=O)n3ccccc3nc21 784795659 RFOLCEWQPXMIMP-UHFFFAOYSA-N 428.449 0.862 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1OC 787101560 RHUVXUKBRFDUQZ-INIZCTEOSA-N 441.440 0.877 50 20 ICGD Cc1nc(Cn2nnc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)c2C)no1 787146221 PJAYQZPHIBEDHY-UHFFFAOYSA-N 433.812 0.598 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 790044555 AUYMPRXUIXKUJB-QMMMGPOBSA-N 444.409 0.236 50 20 ICGD COCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 793176704 NMMZQFVULWQGNT-CYBMUJFWSA-N 448.542 0.168 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(Cl)cc1C(=O)O 793446924 JTKCMNLLDHISJW-MRVPVSSYSA-N 429.842 0.210 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 797236051 HJPZWJWEPLACCY-UHFFFAOYSA-N 443.372 0.577 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc21 815752315 NISWFYIXUNBBGL-UHFFFAOYSA-N 447.473 0.374 50 20 ICGD O=C(NNc1ncncc1F)c1cc(I)ccc1-n1cnnn1 817077104 FSSWJJSAQTYYRS-UHFFFAOYSA-N 426.153 0.953 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCC(C)CC2)cc1 916451495 CWFHPCZYABWFJB-UHFFFAOYSA-N 425.555 0.678 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3cccn3C)CC2)cc1OC 917126529 HQFJPVZJYSZTTF-UHFFFAOYSA-N 429.477 0.261 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 917730409 DARKBESSESNVQD-UHFFFAOYSA-N 426.472 0.793 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3Cc4ccccc43)nc2)CC1 919658568 ZVANQSAWZRPCCB-MRXNPFEDSA-N 430.534 0.984 50 20 ICGD CNCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091559 VJPNJSNKVCTGLA-IINOVHIQSA-N 446.552 0.634 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCO1)C2 1778094222 CYCYEJSEKVATJF-VYXVWEACSA-N 445.520 0.813 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)c1ccccc1)CCO2 1779029329 VXKGTWLKKNWGSW-AVRDEDQJSA-N 441.463 0.839 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781218345 FJKPNYPWCFNRER-UGSOOPFHSA-N 426.857 0.604 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@](C)(Cl)CCl)C4)C3)CC2)CC1 1781234881 RXODUEBZBIOJIV-OALUTQOASA-N 447.407 0.833 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3Cl)C2)C1 1781679869 HZEKFIIRSXIMDL-NRFANRHFSA-N 446.671 0.916 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783341433 CIXMTAYUMGGFRX-BLLLJJGKSA-N 437.356 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3C1)CCO2 1783936130 DLZSBLBZYXYNHX-GBXCKJPGSA-N 442.560 0.994 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)cn3)[C@H]2C1 1786215225 ZCSQKZRICKNBGB-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786981707 HJNGKCUMQTVORW-BVSLBCMMSA-N 436.317 0.836 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789872954 MGRMXGWXWQHFGP-DHMYTKHGSA-N 439.336 0.818 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1791056996 KFOYXIRMLMJVAA-ZHPDPMBESA-N 441.282 0.552 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(O)c3)[C@H]2C1 1791400462 PXFCDLHFPROBQU-IHPCNDPISA-N 446.548 0.678 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccs1 1791546407 CTSXUMVEPHQHIM-CBVHJVASSA-N 442.346 0.825 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1792870380 FZQXWSHLZVDGAG-GUIRCDHDSA-N 432.315 0.449 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc(C)c1C 1793582519 GZAMHFKLVMQKCW-QRUVTEGNSA-N 442.476 0.629 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C1CC1)C2)c1cccc(B(O)O)c1 1795740590 CDLMDIZBJXRYIJ-OPMZPASUSA-N 434.301 0.761 50 20 ICGD CC(C)COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)ccn1 1796457956 RCAMCRFIMVQYFW-KYHPRHEASA-N 425.913 0.919 50 20 ICGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N(CC)CC 1797748733 YSHBAHGWOJCTOP-WTLGNFPFSA-N 446.552 0.009 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1797956405 BWTWIDKVMDLMPR-GNXNZQSNSA-N 425.480 0.106 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1ON=C(c2ccccc2)O1)c1ccc(B(O)O)cc1 1798326218 VAWKMMKLLINJLN-ISJRUSPKSA-N 449.272 0.353 50 20 ICGD O=C(O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)ncn1 1799347138 FWYWVXNGKFHFTJ-IWXIMVSXSA-N 431.218 0.069 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)c(F)cc1F 1799513298 YPYWZECNFBCEPP-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD Cc1ccn2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cnc2c1 1801132372 RGMWSHXFQCGYAY-REPLKXPHSA-N 432.289 0.888 50 20 ICGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1801959401 UBRZBZBCFUNASP-YIYPIFLZSA-N 436.372 0.138 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1805733291 QEDOULPBTGMQQJ-KXBFYZLASA-N 448.487 0.447 50 20 ICGD CCc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n(C)n1 1809977537 CRWQONSOQWNSHE-UHFFFAOYSA-N 438.337 0.821 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811486115 MAKLDWMSJJTYDC-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1 1813074671 VAFQYIBUKZSGAJ-LIRRHRJNSA-N 430.465 0.468 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1818113397 KLLGUVHXHRJUFG-GIEPYWIESA-N 439.432 0.624 50 20 ICGD N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004805 WEFYEZASEJHNRR-CPCISQLKSA-N 433.307 0.586 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050699 UUPQQPHFNVQIMC-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD O=C(CN1CCCC1=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054420 AMEHIQQYIVMWSD-HXUWFJFHSA-N 441.337 0.222 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827560596 WDKOLXSEJIWUSL-OALUTQOASA-N 444.341 0.047 50 20 ICGD O=C(CCC1CCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831069745 PONWYNKCOAGSKK-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831922117 HCBKWZOTRWMUCD-IBGZPJMESA-N 442.513 0.330 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297098 KHVUAUWQFTWYQB-YJBOKZPZSA-N 448.358 0.485 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310815 UESSPQIVUWTBRG-AWEZNQCLSA-N 429.974 0.819 50 20 ICGD C[C@@](O)(C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1833638507 DKZCZODNLMVIPG-CZUORRHYSA-N 429.867 0.471 50 20 ICGD CC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834438639 IYXOSFMXOZQDRS-UHFFFAOYSA-N 444.536 0.240 50 20 ICGD C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798837 DJKBEVMKEIZIOT-UHFFFAOYSA-N 439.365 0.745 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717338 UJZKKRKJMFCEOC-YOEHRIQHSA-N 439.944 0.875 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837641596 UGYXQEKIOWWELH-PBHICJAKSA-N 444.330 0.156 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1839964611 XAJICUVWSDYHCU-XUWXXGDYSA-N 448.358 0.483 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103840 VPRPKWVMUMDRLK-OXJNMPFZSA-N 429.945 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840153146 FXJIOIHBQGMMFS-CMOVFPCMSA-N 427.885 0.409 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1840155025 NDRARFNICHIDQB-MMOPVJDHSA-N 439.940 0.970 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1840155076 PGVBIVNYPCCXDO-DNVCBOLYSA-N 430.860 0.855 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014359 AUFQYJJRRHPHIW-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnn3c1OCCC3)C2 1843416769 YFROHPOQQMHNLN-ZVHZXABRSA-N 439.476 0.617 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1)NC(=O)NCc1ccccc1 1843501539 BONBAMRWPOOCHM-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ncc1[N+](=O)[O-] 1844264246 YCCNONZIAPDLAI-UHFFFAOYSA-N 439.432 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847088860 FVVPLQAWRCMNLZ-STQMWFEESA-N 446.932 0.212 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14842372 RTMFJOMMGVTSKI-UHFFFAOYSA-N 432.440 0.476 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc2)cc1 15797779 YPJORPNXRJBSCR-GOSISDBHSA-N 444.513 0.855 50 20 ICGD COc1cccc(CC(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725871402 BHTVAHOBLJPPAB-UHFFFAOYSA-N 443.460 0.146 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)NC(=O)C1CCCC1 727098591 DMOUJJANICHZOT-JTQLQIEISA-N 430.914 0.833 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 728208278 OLOOQCOFAIYXRS-UHFFFAOYSA-N 432.911 0.948 50 20 ICGD CN(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccccc1 728845465 IOJPHWFXYUPCBX-UHFFFAOYSA-N 432.506 0.161 50 20 ICGD O=C(NCCCC(=O)N1Cc2ccccc2C1)NNC(=O)c1ccc(-n2cnnn2)cc1 732236173 RQAWEMMNEXHBMQ-UHFFFAOYSA-N 434.460 0.929 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 733953849 PNZFDWVYHSZBFZ-UHFFFAOYSA-N 426.389 0.346 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C 734256764 KYPIOCBNPWMOPL-HUUCEWRRSA-N 444.517 0.634 50 20 ICGD N#Cc1ccc([C@H](NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(N)=O)cc1 734506715 DSCBNTPIMKJKTC-SFHVURJKSA-N 443.485 0.040 50 20 ICGD Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 739034845 NYGNIGDQMOEZHD-ZDUSSCGKSA-N 436.542 0.447 50 20 ICGD CNC(=O)c1cccc(CCNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 740919994 CVBPLNIZQBKXOK-UHFFFAOYSA-N 446.533 0.834 50 20 ICGD O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 741636544 QINLGGZIZXMWBB-UHFFFAOYSA-N 446.508 0.376 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cnc(O)c(Br)c1 742035981 CRKYVBUUGDQXOU-UHFFFAOYSA-N 428.268 0.918 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 743829404 OVJHZKWEGXUOLV-UHFFFAOYSA-N 430.439 0.343 50 20 ICGD C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744402344 NIZVKRHLGPYJQH-PXNSSMCTSA-N 440.548 0.632 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)N2CCc3ccccc3C2)cc1 745051191 YUQFYYZMYPZGKT-UHFFFAOYSA-N 435.440 0.630 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc2cccnc12 747424999 OICCJIREZRRLCH-UHFFFAOYSA-N 443.485 0.669 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748247686 UQMKGVQEAOYBEK-HNNXBMFYSA-N 436.534 0.942 50 20 ICGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 748825838 VQOOENLUCMNYJM-UHFFFAOYSA-N 426.412 0.104 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c2ccccc2c1=O 748831528 ZWDWKLOUYIGKLB-UHFFFAOYSA-N 443.485 0.841 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1nc(Br)cn2ccnc12 750250442 SOIXPFSYVJKGIW-UHFFFAOYSA-N 435.304 0.279 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccn1 751199261 UUBXQZLWKUSMEO-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD COc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCCCC1 755414486 WTLFKCICFHVVGJ-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD C[C@@](O)(CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 755425622 BOLNXICGTSSPOA-HXUWFJFHSA-N 439.534 0.339 50 20 ICGD COCC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 755426381 IOQDVXGXWGYUIC-UHFFFAOYSA-N 427.523 0.460 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1Br 757401839 FYNNXRFJJYZUHK-UHFFFAOYSA-N 443.283 0.345 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c(C)o1 763584132 SSDJQJILWUZXJT-UHFFFAOYSA-N 444.444 0.534 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763681629 OUJRNJCVIOBUHS-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763681773 NNZGNNRXKUWKPK-UHFFFAOYSA-N 439.428 0.434 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)n1 763892738 JZBOOSSQDDQOKM-UHFFFAOYSA-N 435.506 0.609 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1Cl 764001056 ZQCAINUHIKEYQK-LLVKDONJSA-N 439.881 0.355 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 764004365 FHNSXVLYGOIQSB-UHFFFAOYSA-N 436.222 0.632 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n[nH]1 764097910 HCQKHYLFGSDYFM-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 764202447 CRISQEGAJJNEQH-UHFFFAOYSA-N 447.492 0.986 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C1 764204901 VICWUACWTJYOQH-ZIAGYGMSSA-N 439.538 0.001 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765117489 GPWAXYIUCQQSHC-UHFFFAOYSA-N 446.529 0.853 50 20 ICGD CCc1ocnc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765727172 FTXZZKVAZZUOME-UHFFFAOYSA-N 435.506 0.313 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 765765606 BFTZBUDTVHUYKM-UHFFFAOYSA-N 436.494 0.098 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 766548639 SKOANZYTEBYNMS-UHFFFAOYSA-N 436.515 0.805 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)nc21 770973536 DPQFRRXXIXYTFO-MRXNPFEDSA-N 432.444 0.948 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 772003911 MJJPULXWQKIKSC-ZDUSSCGKSA-N 429.495 0.038 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 773997432 HHOAWZCAFGXOPL-UHFFFAOYSA-N 448.505 0.703 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 773999400 JGLWPWKAESFVJJ-UHFFFAOYSA-N 448.505 0.703 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 776530178 RJRHEZSESJVGIC-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ncn(C)n3)cc2)c1 779867244 RJGTZPYVULJXSX-UHFFFAOYSA-N 428.474 0.807 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785067792 OEQHHQUFLUACDM-HNNXBMFYSA-N 436.472 0.888 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 787887324 YMFZAQLVOJJKPJ-LBPRGKRZSA-N 436.446 0.873 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 790956385 GXFHMBMTEWCDHO-MLGOLLRUSA-N 429.433 0.240 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)n1 797371552 YRNLLFPDOCTNNP-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 806977691 VDYUGIRFHXMNNS-QGZVFWFLSA-N 447.469 0.329 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3c(C)noc3C)n[nH]2)cc1 810583681 FSLHCPGDIDIPNT-UHFFFAOYSA-N 446.489 0.983 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)cc1 813033382 QQRNCZMTCLICHC-UHFFFAOYSA-N 449.489 0.273 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ncncc1F 815765218 KFOUSZBEEQCYDX-UHFFFAOYSA-N 440.457 0.735 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cccc1S(=O)(=O)NC(C)(C)C 815778358 NTACCBVWQRFJCT-CYBMUJFWSA-N 426.495 0.337 50 20 ICGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816829710 BHPJELGZJXEZDE-IAGOWNOFSA-N 430.486 0.438 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 844239578 LKOIEPXMOZKMMU-UHFFFAOYSA-N 440.459 0.659 50 20 ICGD COc1ccnc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 914762973 HTOBLPZFLNDDLN-UHFFFAOYSA-N 448.505 0.242 50 20 ICGD CC(C)CN1CCO[C@H](CNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)C1 915922301 IVSYGNPIAMJHRC-OAHLLOKOSA-N 428.559 0.751 50 20 ICGD COCC(=O)Nc1cccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 916383198 MVYPFTPIFYEGPW-UHFFFAOYSA-N 438.444 0.663 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 916383816 UGCAHJQSKVUNPE-UHFFFAOYSA-N 436.332 0.925 50 20 ICGD NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 917358704 NNAYXAKWIOUWID-UHFFFAOYSA-N 430.364 0.753 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(OC)c3O)cc2S1(=O)=O 919756806 TYJGCCMZDIYPRZ-UHFFFAOYSA-N 449.441 0.267 50 20 ICGD C=C(Br)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 921125128 BKAXGKNHDFGVGC-UHFFFAOYSA-N 433.332 0.552 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCS(=O)(=O)c2ccccc2)c1 921200971 IZLGOBSXWHCVDT-UHFFFAOYSA-N 439.515 0.898 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnnc4ccccc34)C2)C1 1777724574 WLSHEXOSDRRVAX-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1F 1780618262 DUYNQVDIGNSCKA-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780776658 JIRPABRSQGWXAT-GMIGKAJZSA-N 434.306 0.812 50 20 ICGD CC1=NN(c2ccc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2)C(=O)C1 1780794714 XSECPGLXLNGMGY-LAUBAEHRSA-N 448.907 0.842 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1781233151 QBDHYFOVHXNWDV-RCBQFDQVSA-N 427.350 0.630 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccoc34)C2)C1 1782447260 RGUHMXCSDYFEPF-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1782716921 FOSVFSZOFVDYLR-UXIGCNINSA-N 443.335 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1783936424 VOYPJNHVNIKSSL-NRFANRHFSA-N 446.483 0.519 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)[C@H](O)CCl 1784095015 ZXKGEMREXJTTDG-OIMDMXEBSA-N 447.919 0.476 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21 1784439283 RYHQYHMMYRDCIP-QPSCCSFWSA-N 437.990 0.559 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc(O)n1 1787457236 AFNWKQQQKRGTNX-XIRDDKMYSA-N 433.509 0.062 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788444189 OWXNNPHKWJSYNL-RUGDWHBFSA-N 435.908 0.777 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nnc(-c2ccccc2)o1 1788663632 AFXXNCJWNGAWCX-VGWMRTNUSA-N 434.880 0.930 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1790960807 ACBNGRSUHBEWOT-PEDHHIEDSA-N 433.347 0.587 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792870722 JCFHWWFAFBWEOO-XGFWRYKXSA-N 433.347 0.315 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCCC1(F)F 1793481876 YRESZANNOAVHKO-MVJTYMMSSA-N 436.264 0.395 50 20 ICGD COC(=O)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192070 FTZOUPJPQXVMRQ-REPLKXPHSA-N 430.310 0.742 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1798522899 BTEDQXFOQSZVKF-BKEDOTJMSA-N 447.444 0.760 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800174645 AQVFRWNHXTVYRA-JRATXPSKSA-N 441.326 0.735 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 1800576265 NXWFFMHBUCDTMG-XMTJMIHESA-N 441.532 0.715 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800806711 WADTUQKSPBWWIB-ARSDKDGVSA-N 449.907 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccccc1)C2 1800970300 BGGZEVSSBAVQFQ-MNYXPOPXSA-N 449.935 0.702 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc21)c1ccc(B(O)O)cc1 1802155250 NYOIJKKXWNEMRA-REPLKXPHSA-N 432.289 0.668 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1803015597 RLLLVYMWRPFRTJ-YYESSZKYSA-N 439.354 0.841 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)c1ccco1 1804322047 KTNYAQJCLFFFMF-YLJYHZDGSA-N 447.256 0.557 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805810835 IEPMWBKTTHXAQF-BEFAXECRSA-N 448.487 0.447 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807061067 LCXGWQCRQIFRAO-KCQAQPDRSA-N 425.331 0.744 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353289 ITJYXTCVASUBEK-GLQYFDAESA-N 433.831 0.667 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)c1 1810298052 GBIUHVSJTUWXOU-KXBFYZLASA-N 448.487 0.447 50 20 ICGD CC(=O)N/C(C)=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812322004 FLQVEZYUKLBWGX-ZDMQEGKZSA-N 444.536 0.500 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1812329649 UZHJMNVAYCAGDR-OFQRWUPVSA-N 427.958 0.171 50 20 ICGD Cc1nccn1CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812403587 FIBOKYFNQCJLSH-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069046 SLGZVJHNZOLHJK-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1813074119 PHVDFMDPSKQPNH-VZUGXPBKSA-N 439.520 0.897 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1 1818660873 WGYCLPWTTMQYPW-MXWKQRLJSA-N 430.490 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnn2)n[nH]1 1819715656 BQTCTZLAIIKLNC-INIZCTEOSA-N 435.448 0.818 50 20 ICGD O=C(CCBr)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819880142 JVFHPEDZXITFFH-ZUZCIYMTSA-N 447.355 0.491 50 20 ICGD Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)o1 1820575514 PBLKBQSXKDWQBK-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)CC1 1823843234 LQCHKCNNSAFVSY-MSOLQXFVSA-N 435.569 0.505 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825285685 JITSMZLFHMTEEY-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD O=C(Cc1cncnc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049963 ALVGYXFGTHRDTG-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829816985 OGIZWXFRUKMKKE-FQEVSTJZSA-N 441.293 0.394 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1830534057 WAKJURLWWFNAHI-JTDSTZFVSA-N 446.386 0.958 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830638327 LWPSNBXBBDBKOF-QHCPKHFHSA-N 442.321 0.205 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1=O 1831883946 NBTUCDBVLJPQCA-GOSISDBHSA-N 442.310 0.240 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833451771 XMXRWLFGOHZNFL-DNVCBOLYSA-N 428.917 0.308 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1834775041 MFTXQOOAFNGYFI-ZLKFPQNLSA-N 437.320 0.798 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)on1 1834819547 QSVCWRQPJHFRFP-QGZVFWFLSA-N 430.299 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1)CCO2 1835000639 ZEDSRWHMXQLBJU-JOCHJYFZSA-N 432.521 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835136266 LJJDPOBIQAHMRY-FXAWDEMLSA-N 431.961 0.573 50 20 ICGD O=C(CCN1CCOCC1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716727 MAUXZAZUPXHUJB-SFHVURJKSA-N 431.961 0.307 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837038406 HFMZAYFEKXBAGV-DNVCBOLYSA-N 440.859 0.372 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837533100 KDXNJQWRHRIFSF-DDGWYSKLSA-N 438.308 0.776 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1837714726 MMTINXYOZKEDOH-SFHVURJKSA-N 427.530 0.088 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792996 RUSKJCHEJMNJFI-SJCJKPOMSA-N 429.861 0.795 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796897 HNYDQDHDUGGDTP-KRWDZBQOSA-N 441.517 0.239 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1837919225 RMSOMRCLLWEGFH-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1838276096 JBHZPOMPKLLPOF-WMLDXEAASA-N 447.305 0.743 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1Cl 1838305271 LNZLCHJXSZGNDV-INIZCTEOSA-N 449.733 0.929 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839146788 WMXLGDREFRGWPB-AUUYWEPGSA-N 425.869 0.898 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152059 MFBHTPKIIPUGNM-SJORKVTESA-N 435.308 0.872 50 20 ICGD O=C(Cc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201789 JHVGRWYBHSQICY-WBVHZDCISA-N 430.274 0.771 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203026 XEKAHSRNXUGVRO-OUJBWJOFSA-N 446.111 0.917 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1839897919 WLDKHQKMDBPCGX-GOSISDBHSA-N 428.558 0.248 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1839964342 OYJITKOIBMFHPF-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD COc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185934 WUYPJEDPWHLKMJ-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C(Cl)Cl)CCO3)CCC2 1840190001 XKBNLUOIWXBHCC-GOSISDBHSA-N 431.320 0.783 50 20 ICGD CNc1nsnc1C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415142 PXQMYYHECKLCDX-SRZZPIQSSA-N 430.494 0.531 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1OC 1844913328 VLAQCYVQXGYDMC-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039466 RINUUQBIAVXADX-INIZCTEOSA-N 444.536 0.061 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1nnc2ccccc2c1=O 27193234 UJFHEAGMVZPFOZ-UHFFFAOYSA-N 443.489 0.244 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 726274564 FHKCHTBOCATJFH-UHFFFAOYSA-N 426.477 0.915 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CC1 728889073 NYQALDNIZOYMQG-MIQLPHMESA-N 426.521 0.798 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728984039 ZGNMQFMMVWTKAW-CYBMUJFWSA-N 436.476 0.535 50 20 ICGD COc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(I)c1O 730576049 LGJOTDMDJXMLJI-VIFPVBQESA-N 438.243 0.890 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 732050420 UQBZNTFRJUVNJJ-SFHVURJKSA-N 432.521 0.543 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 732260561 GCFBAKPJKXPJPM-BETUJISGSA-N 431.453 0.744 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936879 VZDXSXSLLXRMRW-ZDUSSCGKSA-N 439.475 0.974 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccccc2O)cc1OC 740824134 ZGIRGPFATQPLTM-UHFFFAOYSA-N 438.458 0.800 50 20 ICGD O=C(COC(=O)CN1CCN(c2ccccn2)CC1)NNC(=O)c1ccc(Cl)cc1 741039001 MAPKMEDHDHJNCK-UHFFFAOYSA-N 431.880 0.861 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1F 742033285 KSSOVGDKYBLPPD-NSHDSACASA-N 427.458 0.069 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744903896 AOBQRNOFTMKQDF-UHFFFAOYSA-N 445.453 0.596 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746103534 OKZINWPAQYDSCK-NJOIIQIHSA-N 425.239 0.089 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCc2c(C)nc3[nH]n(C)c(=O)c3c2C)c1 746306363 CLZBWJACONWQPS-UHFFFAOYSA-N 425.449 0.626 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NC1CCCC1 748246008 CLQGWMVNRZMCBK-UHFFFAOYSA-N 438.506 0.300 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nc2cc(Cl)ccc2n1C 749158400 OAGYKAILYFPKDE-UHFFFAOYSA-N 435.897 0.652 50 20 ICGD O=C(C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cnn(-c2ccccc2)c1 758524626 WZRGPKBJYHQCAE-UHFFFAOYSA-N 441.307 0.881 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535726 RFYWKMRRQLCXFN-UHFFFAOYSA-N 439.353 0.839 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CSCCN1Cc1ccccc1 758958663 VLWHVUUGFIHDJM-INIZCTEOSA-N 431.518 0.957 50 20 ICGD O=C(COC(=O)c1cccnc1OCC(F)F)NNC(=O)[C@H]1COc2ccccc2O1 760644538 GYZSOKDUGCTSIW-CQSZACIVSA-N 437.355 0.870 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 763679752 CIIFOGHUBVNPPS-UHFFFAOYSA-N 426.408 0.825 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)n2c(C)cc(O)cc2=O)cc1OC 764023142 ACECEIKXYKBRDU-LBPRGKRZSA-N 433.417 0.445 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764138650 HDRFSNCTHOTUOR-UHFFFAOYSA-N 434.474 0.785 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764289619 WMLPHCUGGHOKOU-UHFFFAOYSA-N 446.485 0.552 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H](C)O1 767823434 UNGYNQIONXVPCX-XHSDSOJGSA-N 428.530 0.659 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2)n1 772885337 ZPCCVOGDIXQJIB-UHFFFAOYSA-N 425.832 0.963 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)c3cncc(NC(C)=O)c3)c(C)n2n1 773088998 VNZUGXDWYWZCRG-UHFFFAOYSA-N 428.478 0.820 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@H](C)O)cc1 779540656 BYIDJSLJZHEHLG-IINYFYTJSA-N 433.412 0.975 50 20 ICGD Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783996729 LPVMRTOCKZXNTO-UHFFFAOYSA-N 436.428 0.762 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 789856899 MMCAFVLAILYIBY-UHFFFAOYSA-N 441.469 0.631 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1cccs1 792117060 PKYXZBFHAJTCIV-MRXNPFEDSA-N 446.407 0.257 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cn1 792437043 BFRUTULZEFIIJV-UHFFFAOYSA-N 442.307 0.950 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)n1 793044361 WIULKMHKQHFKNH-OAHLLOKOSA-N 443.464 0.172 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)CC1 795110928 XBRZTRBCNJLPRK-KVWFATIISA-N 443.573 0.855 50 20 ICGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 798830395 PXUNGMVCIRCGBU-HNNXBMFYSA-N 431.518 0.771 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC(S(N)(=O)=O)CC1 799860152 WSZSNMMVUBPCMV-SNVBAGLBSA-N 449.327 0.710 50 20 ICGD CN(C)c1ncnc2c1cc(C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)n2C 802066279 KOEAHSGXBGTRMI-UHFFFAOYSA-N 431.478 0.904 50 20 ICGD C[C@@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCS(=O)(=O)C1 802434650 OXZORFRBHVAMDX-CQSZACIVSA-N 442.922 0.138 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 806973754 VOBCICDESYPAIG-UHFFFAOYSA-N 428.445 0.952 50 20 ICGD CN(C)c1cc(C#N)cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 814413534 IWRXXYXGIQHVRU-UHFFFAOYSA-N 434.500 0.843 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(Cl)c1OCC(F)F 815693084 LFNSTIWIQAKPIR-SECBINFHSA-N 442.810 0.924 50 20 ICGD Cc1cccc([C@H](CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)NC(N)=O)c1 914339429 NFHORZODIKBOEI-AWEZNQCLSA-N 432.506 0.849 50 20 ICGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 914750651 TWWICAMGRLFERW-OAHLLOKOSA-N 436.534 0.879 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915684752 BXBFAIMQAVJQRV-MAUKXSAKSA-N 426.408 0.892 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCS(=O)(=O)C1 915927319 SCJSKBDOLDXKGD-GOSISDBHSA-N 444.579 0.742 50 20 ICGD CCNC(=S)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125041 AQDXHIOITBQDJF-ZDUSSCGKSA-N 430.552 0.468 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 916723419 LGYKBUQMCUQNIT-UHFFFAOYSA-N 433.490 0.576 50 20 ICGD O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 917314707 NZMMEVNBWZVMEH-HNNXBMFYSA-N 428.357 0.689 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccccc2)n1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889868 VSGJNZOVLBYYKP-LBPRGKRZSA-N 437.503 0.455 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC(=O)NC2CC2)cc1 920850008 WUQCKMHRRNTLMW-GDNBJRDFSA-N 436.472 0.736 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 1318558230 OHVDXTLDLNCKRF-NXNVCVFFSA-N 446.504 0.588 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cncn2-c2ccccc2)C1=O 1340109190 IOPCMQUPMSTNEE-ZUOKHONESA-N 425.449 0.537 50 20 ICGD Cn1ncc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1778017249 AJZXNIBGFFWGAV-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1779031154 MMDWJBNDCKAOJM-OAQYLSRUSA-N 440.460 0.308 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779037299 VILHGUXLHREYQK-HSZRJFAPSA-N 448.483 0.623 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1781572443 RNBGICQZJPBVKA-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1782207249 XFDBYLKLXWHKQN-CDHQVMDDSA-N 444.601 0.968 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782208933 BUDPBMHATHITMB-DYESRHJHSA-N 432.525 0.286 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1782867525 PMQFSZVTXMQUEV-ZZKIFARHSA-N 435.427 0.711 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783349989 XTTZNGUQPOZSOZ-MEDUHNTESA-N 429.319 0.323 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCCO3)[C@H]2C1 1783609858 YMXRSPBRZPOPPV-BPOXOXDZSA-N 445.520 0.669 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1783873771 UMAORNBJYIMGHC-UZLBHIALSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783935002 ONXBSXBJDJRXRG-QFIPXVFZSA-N 427.505 0.569 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784290735 WNUYPQRFBSMHCW-VGSWGCGISA-N 431.537 0.463 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784492557 IEFDQNLHVSWCPQ-IERDGZPVSA-N 433.509 0.052 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccn1 1786981858 CJGNJFNYAFWGOF-UCKNYWNBSA-N 437.305 0.158 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787499170 WCZXBEROHWTMGE-PMMQCXHCSA-N 446.957 0.022 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc(OC)c3OC)[C@H]2C1 1789414061 UIIZXDZLVRJGBD-YXWQFLTLSA-N 441.912 0.946 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1790963450 BSSDIYKDLOTLIR-AJNGGQMLSA-N 441.326 0.397 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793505903 UKQALFGOGPZGPP-IVWMJMPLSA-N 443.416 0.760 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccc1C 1793532032 OEZICSCJOIZAET-LLJCUJCISA-N 438.488 0.727 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796050630 DXVJOSUPZPCRCG-LLLHUVSDSA-N 437.504 0.833 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cncn1-c1ccncc1 1796188296 MXJSYIMBBUBQRR-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1 1799460125 BJRSRADQPIGVMK-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)cn2[nH]cnc(=O)c12 1801016733 YMCLYFXOEOEZCN-PEGIJTEDSA-N 428.276 0.338 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2cccc(F)c12)c1ccc(B(O)O)cc1 1801174166 CHWMFAKOYCVLOE-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803598727 SKGNCTFYXKLQAY-XLIONFOSSA-N 446.552 0.375 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361085 DWDHNFIUYDKXBO-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807712249 OXLVCFXTOLQTDL-TXUJKZCJSA-N 425.327 0.594 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1811198483 MXBOHFXIAANMHL-RXVVDRJESA-N 440.504 0.408 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cccn1 1813075197 XRCWAGYKXAPFHI-BLIXFSHQSA-N 441.536 0.918 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474589 BWWXPFCPXQFPMI-AEFFLSMTSA-N 441.297 0.310 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825709845 ZGJNTTYHXCRIPY-LJQANCHMSA-N 438.293 0.409 50 20 ICGD Cn1ncnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1825716426 MANZGWVGMXNTKX-SFHVURJKSA-N 425.298 0.042 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054937 NDVLTYWLUNNUQV-UXHICEINSA-N 448.394 0.714 50 20 ICGD Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc2n1 1830735616 JEAXSGWBHVFFGT-PXNSSMCTSA-N 436.896 0.243 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830969326 XQPLDJCYMVMKCC-QAPCUYQASA-N 441.326 0.649 50 20 ICGD Cn1cc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cn1 1833310675 OLCHIIREYNHEGK-GOSISDBHSA-N 425.961 0.524 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738301 UKDZZZWBAFUGJF-CMJOXMDJSA-N 442.564 0.916 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836162490 VUJSUONCHHMXME-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD O=C(c1cnccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836318144 XAETVFYPYRZDCO-BBRMVZONSA-N 434.237 0.981 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836418947 IVEQICHAFAHABZ-CZUORRHYSA-N 448.245 0.253 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(N)=O)CCO2 1836484249 QQSIOOGCPZNBSD-GDZNZVCISA-N 449.346 0.063 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836620767 XFKBXBHODHSYOO-FQEVSTJZSA-N 442.532 0.488 50 20 ICGD CC(C)(O)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837772618 XKYRFRVANOPGDD-UHFFFAOYSA-N 447.536 0.458 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c(O)n1 1838669266 QUKLBMOPWZHIIK-GOSISDBHSA-N 442.310 0.951 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199312 NCGMVOPLWNYEGT-DOTOQJQBSA-N 445.289 0.556 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839962683 OIVYHJWUDZAAKJ-SJKOYZFVSA-N 443.298 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1840151329 YNWZYBLELNOKGY-QFBILLFUSA-N 429.901 0.544 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1840152712 QGQOZWYRZPHHBZ-KXBFYZLASA-N 427.885 0.419 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccncc3)C2)C1 1840155024 NDRARFNICHIDQB-MDKPJZGXSA-N 439.940 0.970 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1841247756 HPVNZVGACQEMTB-INIZCTEOSA-N 435.908 0.570 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1843415941 GFSFWTFSTWBDKV-AEIQVQRHSA-N 437.504 0.289 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 12665869 WKCIUIXLMBWAJB-OAHLLOKOSA-N 425.445 0.736 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1nnc(C)c(O)n1 23311624 AOJAITDTEJAJIO-ZDUSSCGKSA-N 426.524 0.737 50 20 ICGD Cn1c(CC(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 726438461 SJKJSXXBFDIJAM-UHFFFAOYSA-N 432.531 0.459 50 20 ICGD Cc1noc2ncc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc12 726765001 RFLHVNBEPVUVOB-UHFFFAOYSA-N 439.475 0.405 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 727753177 VEEVMTPZUSXBKX-INIZCTEOSA-N 430.442 0.398 50 20 ICGD Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCOCC1 728175676 ABRKTJCFGPEOEQ-INIZCTEOSA-N 445.563 0.122 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)n1 728724234 HHBWYZYZVVMLCO-UHFFFAOYSA-N 432.418 0.643 50 20 ICGD Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854315 QPMUJFXFMSUAAK-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=S)Nc2ccc(OC)nc2)c1=O 729693278 QVSRAXXXLQLKRO-UHFFFAOYSA-N 428.474 0.605 50 20 ICGD Cc1ncccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730960688 YHYZSDPTPAFFQF-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD O=C(NN=C1CCCS(=O)(=O)C1)c1ccc(NN=C2CCCS(=O)(=O)C2)cc1 731923386 IUCHOPZYPATINM-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 733359360 NIVKANOHQMMCAN-ZFWWWQNUSA-N 426.539 0.875 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 735646375 ADSVMTVGJZNRMI-UHFFFAOYSA-N 440.456 0.560 50 20 ICGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 740810386 WMWLJWTZEXQSME-UHFFFAOYSA-N 428.879 0.791 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n1 741025535 GSUCWTNZXBTSSV-DEYYWGMASA-N 426.539 0.818 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 743294089 QVEKLBLHAFFWJT-ZDUSSCGKSA-N 445.501 0.772 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743318982 MURDUNDVCMFDIX-CYBMUJFWSA-N 430.486 0.902 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl 743834089 QLRKKUPJKXBDHG-UHFFFAOYSA-N 435.828 0.654 50 20 ICGD COCCCN(C)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745857873 STIWXOGFGQEHNV-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1OC 746092392 MDJWSNNCDOIDNM-CQSZACIVSA-N 429.433 0.655 50 20 ICGD O=C(Cc1cn2ccccc2n1)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 747635976 AGFXJFRULOPNJX-UHFFFAOYSA-N 431.456 0.872 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2cccc(F)c2F)CC1 755809781 OCPFBJTWLKJQDV-UHFFFAOYSA-N 425.461 0.982 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNc2ccc(C(N)=O)nn2)(c2ccccc2)CC1 757406735 FWQGBCBRMXCGDX-UHFFFAOYSA-N 432.506 0.402 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc(O)c4ccccc4n3)cc2)CCN1 758308784 CODPLBSABAKBTA-UHFFFAOYSA-N 442.457 0.213 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccccn1 758832286 WMGYUWVBZGCMKV-CYBMUJFWSA-N 449.464 0.408 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1 760334385 GEWHEWJCPZSJHO-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc2)C[C@H](C)O1 761064399 XZRWHLVVTMZBEY-STQMWFEESA-N 440.522 0.617 50 20 ICGD CC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc21 761465258 UZBUPBVQFXEEQD-UHFFFAOYSA-N 436.877 0.971 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=C1CCN(C)C1=O)N(S(C)(=O)=O)CC2 761767933 XEXQMYHDXGIYHM-HNNXBMFYSA-N 438.506 0.287 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 763573034 POMMPTNHLFBNMG-KRWDZBQOSA-N 426.429 0.671 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 763623107 CAUYMKTXLLDRGO-UHFFFAOYSA-N 446.485 0.482 50 20 ICGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 763717982 FFMCVYVLKCEDGR-UHFFFAOYSA-N 433.490 0.403 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763864933 MEPLPYGSHLWYDB-VIFPVBQESA-N 442.400 0.166 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)cc2C1 763940930 VHCCKTJMBVTEID-NSHDSACASA-N 432.506 0.557 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)n1 764086891 VVIWWDLYCZVXLB-UHFFFAOYSA-N 441.261 0.746 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1-n1cnnn1 764204049 HXZNPWOROMSWHL-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 764398093 ODBYBQMRXQUUKH-UHFFFAOYSA-N 427.446 0.549 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 764427826 CALSPWCMYHBFTP-INIZCTEOSA-N 442.476 0.563 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)c1 773086321 DTIREQGWFJEBLR-JTQLQIEISA-N 443.489 0.876 50 20 ICGD COc1ncc(/C=C/C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 775885259 VQHGZXPJMGRTPB-FPYGCLRLSA-N 432.506 0.578 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nc(C(F)(F)F)n[nH]1 776255193 AONXVHZYRZUAAZ-UHFFFAOYSA-N 434.404 0.569 50 20 ICGD Cc1csc2ncc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)c(=O)n12 776480012 ZVYAVBNCVOBCSL-UHFFFAOYSA-N 449.514 0.842 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS(=O)(=O)C1 783428848 YBGFEPCDZVDRDT-QGZVFWFLSA-N 436.881 0.534 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 787428931 NXZQJKXXQRMNIU-TZMCWYRMSA-N 428.898 0.206 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(c2cccnc2)=NO1 790697856 SSCMBQNSUHWXJQ-QGZVFWFLSA-N 431.474 0.739 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 807003843 ABVWIOVLDSGJMZ-UHFFFAOYSA-N 444.229 0.308 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1Br 815692685 YKFCACYHHXDHLC-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 913081560 UFMKUCTXMYXPGN-KRWDZBQOSA-N 429.408 0.724 50 20 ICGD COc1ccc(Cn2ncc3cc(C(=O)NNC(=O)C(=O)NC(C)C)cnc32)c(OC)c1 914838158 DLOVVVOVQBRTIT-UHFFFAOYSA-N 440.460 0.782 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 920239360 KQVUGZYRDCMSBC-UHFFFAOYSA-N 448.501 0.669 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1C[C@H](C)O[C@H](C)C1 920275686 HFJCYYQLJNQDEV-DAYGRLMNSA-N 440.566 0.832 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 920931321 KKDNXGFHAQRGRJ-UHFFFAOYSA-N 431.430 0.287 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)CCN1 1115832154 GVZULCWDTFKBIV-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1116187524 PUQIREGLFRELQP-MRXNPFEDSA-N 435.458 0.692 50 20 ICGD O=C(c1cnc2ncccn12)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329970 OWGMTHCJGNBWPC-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1783969762 PLVYEMPWRWDEKG-TUUVXOQKSA-N 426.311 0.944 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784276333 GUTKJFYXIYUDBJ-RFGFWPKPSA-N 432.315 0.449 50 20 ICGD CNc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1786825750 MYZWMGBXJCFWCG-YYWHXJBOSA-N 437.305 0.315 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788239938 YGHCHGGSZKJBIM-MXJLVENISA-N 429.521 0.715 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788706312 WAJIPXMNZRCLKN-MNXVOIDGSA-N 444.319 0.378 50 20 ICGD C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(F)(F)F 1790881870 WHRMEAPNLFQTFX-BPUTZDHNSA-N 426.200 0.078 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792884383 MPGSWHHYANZPJH-QRJUGERDSA-N 447.960 0.869 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1793085525 JHPWRSFECCWOSL-XVIXHAIJSA-N 437.896 0.386 50 20 ICGD CN(C)c1cccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1793856312 HMLNZVXAZDUTLS-QOIYZWAUSA-N 425.913 0.321 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ccccc13)C2)c1ccc(B(O)O)cc1 1795734634 WNUHXWYCRJUHOW-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNc1ccc(F)cc1)c1cccc(B(O)O)c1 1795987126 OCMUTHLELXOMNK-ACDBMABISA-N 425.269 0.869 50 20 ICGD O=C(Cc1[nH]nc2c(Cl)cccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799075098 FVDFXNBDQIBVFD-RERORNDZSA-N 441.315 0.948 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl)N1CCN(C)CC1 1799276461 LUXCBNUVRQHIMQ-KSPMYQCISA-N 435.396 0.448 50 20 ICGD N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1cccnc1 1799346311 PADDGZNDANJMMC-RHBQXOTJSA-N 429.290 0.752 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)[C@H](F)Br 1799350401 YTCKQVBUTXRBTJ-QPPBUOOMSA-N 445.289 0.819 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 1800979366 CCYPHEPKFFFSJX-OCVGTWLNSA-N 434.880 0.792 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccs1 1801291442 ACUGTRUJUJYJBT-JNNRSPCRSA-N 428.319 0.435 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1802270053 LNQQKLYGIWGUOS-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cn1)C2 1802273374 KVOFLCZCHHAUEJ-XFMPKHEZSA-N 429.926 0.991 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1804491453 NUUPOYPSKGYPCB-UWJYYQICSA-N 449.276 0.015 50 20 ICGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1807027991 FZWRCAFMYIQZKK-WCQYABFASA-N 439.236 0.616 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363308 ZFLLEDWYSCBMCA-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364609 QXSCNFSEPAIRAM-LAUBAEHRSA-N 439.277 0.034 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295757 XEYFURSISJDESF-UZLBHIALSA-N 440.504 0.825 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1 1810297130 AMPINBFDZJWEIJ-KXBFYZLASA-N 446.471 0.504 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1810299931 VPALEHPLIIRLOE-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812321999 FLQVEZYUKLBWGX-HCDOCMDOSA-N 444.536 0.500 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814806352 FXJHJGQMFHMQPS-QWRGUYRKSA-N 427.603 0.499 50 20 ICGD Cc1ocnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360280 DSEDSXXNPUVRSZ-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)O 1820162970 XBWVJHMKDOWCON-CMPLNLGQSA-N 428.587 0.969 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1821214715 MWZRFVKRVINRHY-SLEUVZQESA-N 445.904 0.845 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822589950 RDNFMCQMTPUYIV-NVXWUHKLSA-N 442.350 0.533 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824444964 JLLSXCPYTDTZNY-WFASDCNBSA-N 430.339 0.389 50 20 ICGD O=C(Cc1cc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824726201 MQSHSXCQMDHWIO-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731330 KQBYLNCJALSXFT-OXJNMPFZSA-N 434.880 0.300 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831079492 YECQOHCXAMVOGW-ANUWBXLYSA-N 441.337 0.640 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831501872 QKVYLCFKOFZWBA-JTOWHCCKSA-N 435.359 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831818393 HBRKFYLYCXEMQY-KXBFYZLASA-N 428.917 0.361 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870974 JNRJFDBTUHJSPP-QFBILLFUSA-N 437.585 0.846 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831882700 FWYWAOKNMOFJPB-GOSISDBHSA-N 448.350 0.418 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210980 YJBBIOISKGKTQC-GUYCJALGSA-N 433.292 0.454 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833260619 RIRJLPBXQLOLER-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1833826564 OWLZIHSUUJDLSY-GTNSWQLSSA-N 443.298 0.466 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1834771725 XJVARSZXZYGSHZ-REMYHPOOSA-N 433.299 0.347 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cscn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797524 UAEUTGOOIOUESO-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c(O)n1 1834823761 IZRSEGHDXMLZSM-GOSISDBHSA-N 442.310 0.951 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835930239 DXAIJODZJBFFGE-FDDCHVKYSA-N 442.321 0.183 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1)[C@@H](F)Br 1836412521 KXSIBMGGUQPBMU-QGZVFWFLSA-N 449.365 0.581 50 20 ICGD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837296701 IWQVILJLNPSRIB-ZOCIIQOWSA-N 441.843 0.712 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837693138 IFXDSCQQXKVJPR-IYOUNJFTSA-N 446.342 0.165 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)CC)C3)C2)nn1 1838831652 XXRRASSAFBJPLM-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)s1 1839198802 BQKCYRHNVNZESD-QMTHXVAHSA-N 437.291 0.486 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031838 DNWMOIZZYAXZCX-BZNIZROVSA-N 431.287 0.160 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840036554 OAVKGVZIXTZFEO-ATNYBXOESA-N 433.343 0.777 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1840151821 OHHXQRFOCWRTSW-RXVVDRJESA-N 440.924 0.913 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840199614 GDPACDUWJQRSJG-XKQJLSEDSA-N 443.393 0.793 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)[C@@H]2C1 1841353513 ANTDNUSPGFDKNA-XGUBFFRZSA-N 427.929 0.902 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1)C(C)(C)O 1841354678 NZRPITMHWWJCSZ-QWHCGFSZSA-N 433.933 0.454 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)OC(C)(C)C 1842766457 UBXRAABHJAJQPM-UHFFFAOYSA-N 431.298 0.050 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(Cl)c1)C2 1844263687 IVAROWFNCMQERZ-UHFFFAOYSA-N 430.852 0.570 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845265804 MZSOTHJMBTZQOO-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC13CN(C(=O)[C@@H](O)CCl)C3)C2 1845861625 UUNSNCIAKGNSDW-HIFRSBDPSA-N 438.912 0.425 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C 22759504 ZFAUIEHTFNUWSW-CYBMUJFWSA-N 425.445 0.478 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)CNC(=O)c1ccco1 725741078 MOJABWWQJWDODH-UHFFFAOYSA-N 434.474 0.230 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 727099354 SHGDUCUMCBBMPC-UHFFFAOYSA-N 449.265 0.427 50 20 ICGD COc1ccc(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1O 728331485 AQPUEZSCZUDISM-GOSISDBHSA-N 430.413 0.864 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CCN(c2ncccn2)CC1 728854119 MLNZXVNVMYLIKE-UHFFFAOYSA-N 444.517 0.830 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)nc2n(C)c1=O 728975533 POAHBWFMTGQBFE-UHFFFAOYSA-N 439.400 0.385 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732467864 YAPAXVGQJPWQEY-RDCVWBNRSA-N 431.449 0.709 50 20 ICGD CCOCCCn1c(NNC(=O)c2ccc(S(N)(=O)=O)o2)nc2ccccc2c1=O 733267495 XWEODCRWWGBSTL-UHFFFAOYSA-N 435.462 0.820 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(Cc3cccs3)nn2)c1 742470390 DQHMZJVUAGLCGA-UHFFFAOYSA-N 434.503 0.713 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743293664 GVNHTBBGDLGALF-ZDUSSCGKSA-N 445.501 0.772 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744551219 KKOYTUKZMGHRIO-LRTDBIEQSA-N 441.444 0.363 50 20 ICGD CN(CC(=O)NNC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 745986113 KGAFAWBMIOKEAZ-UHFFFAOYSA-N 435.300 0.143 50 20 ICGD O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C1=NN2CCCN=C2N1 748012781 NVTPISCXRHCRNA-UHFFFAOYSA-N 447.502 0.288 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C#Cc3ccc4c(c3)OCO4)cc2)CC1 748618293 BHTGDXZLOCCXPK-UHFFFAOYSA-N 442.497 0.846 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 751208166 AWUZLNMYCDUGIY-IBGZPJMESA-N 447.448 0.232 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1C 753840230 IETGNFWDHAFUSI-UHFFFAOYSA-N 438.238 0.677 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 755846679 GDFZQPPCSBIIKX-UHFFFAOYSA-N 428.474 0.886 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 756759650 KIGQSOXTMARKQM-UHFFFAOYSA-N 425.467 0.558 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1 756837917 JFTJGROBDJZWLD-UHFFFAOYSA-N 432.466 0.564 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 756862087 AAFMJIKKIOVKKG-KBPBESRZSA-N 432.477 0.968 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 758029414 KRRZISABIFZOIB-GFCCVEGCSA-N 445.567 0.897 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 758036708 UUWYGFXXAMISNK-IUDNXUCKSA-N 430.571 0.717 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C(=O)Nc1ccccn1 758829431 DLCZSLCOHIMTTF-CYBMUJFWSA-N 446.261 0.983 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1 759194443 BMSNUYTUJIOZFP-ZDUSSCGKSA-N 432.930 0.439 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763682052 QLLVKSKLKGQMKJ-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1 763785325 OOQUJRNDWWUFNK-UHFFFAOYSA-N 436.515 0.853 50 20 ICGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 763786958 SRJFDSWVOVYWSP-UHFFFAOYSA-N 437.412 0.510 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 764048343 PGQCZGBFMDGRFS-UHFFFAOYSA-N 446.485 0.878 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1NS(C)(=O)=O 764161287 PKZHFXGJNFSIND-UHFFFAOYSA-N 434.474 0.922 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccn(CCOC)n3)n[nH]2)cc1 764384549 CSGDZMZYJIRVHG-UHFFFAOYSA-N 425.449 0.882 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cc1 764399858 MRPCAMGCIDUIFC-SECBINFHSA-N 435.218 0.429 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 764424345 IOJZATDIKDUPHY-NSHDSACASA-N 425.747 0.782 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H](O)c1ccccc1Cl 765178399 VSUFGISRXBFPMJ-LJQANCHMSA-N 430.892 0.979 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 765421971 WSAFBSARHCNRPM-OAHLLOKOSA-N 434.497 0.476 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 766307645 MBAPOKPEZQBLPB-UHFFFAOYSA-N 437.865 0.784 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 767887144 FHXNLMMTHQVBIE-UHFFFAOYSA-N 428.357 0.794 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 773497688 XWJLCGBFSXZLLP-LLVKDONJSA-N 433.202 0.101 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 773511473 MPPLGGOTIKVTIB-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 780970502 DAKQFTCLBDSCGD-UHFFFAOYSA-N 432.474 0.556 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(O)cc1)CC2 782832813 UCHBLWFEHATTNU-UHFFFAOYSA-N 432.458 0.041 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CCS(=O)(=O)C1 783428828 XVJCWHPUPZAZHP-QGZVFWFLSA-N 443.888 0.860 50 20 ICGD COc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 785063429 ODBAFDWRXJJUIY-LLVKDONJSA-N 428.463 0.257 50 20 ICGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 788895825 JRUGHDUQZOCIOV-CYBMUJFWSA-N 425.511 0.282 50 20 ICGD CCn1c(NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc2c1=O 789953420 SOJOIKCCMAXNCA-FQEVSTJZSA-N 442.476 0.475 50 20 ICGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1OC 793449400 BFIBVEVHELLTNH-SECBINFHSA-N 443.869 0.299 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1[C@]1(C)NC(=O)NC1=O 794599561 JUXFJJQNBLUKJT-SFHVURJKSA-N 433.446 0.077 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 800748806 NIDGVMIRMRMFOC-NEPJUHHUSA-N 429.455 0.022 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNc1ccc(-n2ccnc2)nn1 805139026 AMBCRPHNZJKHEN-UHFFFAOYSA-N 430.441 0.553 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1 807300280 HSKYEKNKELQJBJ-NSHDSACASA-N 425.442 0.616 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)c2)nn1 812978757 BTLGXJTXCOGFPE-UHFFFAOYSA-N 428.430 0.444 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2ncncc2F)CC1 817077452 GGQPAFVCTZBBBE-UHFFFAOYSA-N 437.453 0.946 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F 916378281 LMMPGQBWFBOGPN-SUMWQHHRSA-N 443.382 0.731 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCNC(=O)c2cccs2)nc1 916568720 LBJPLZUVEXCLRH-UHFFFAOYSA-N 426.524 0.886 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 918229919 VPTBSKLIIGVGAU-UHFFFAOYSA-N 443.485 0.834 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2)c1cc(Br)c[nH]1 919955214 CUXQKGFMVLLTCR-UHFFFAOYSA-N 446.235 0.870 50 20 ICGD COCCn1cc(S(=O)(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1319473192 FVTSFSWFMZVMFL-UHFFFAOYSA-N 431.515 0.486 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779326078 UWIGWZREAJBNBX-DEXNDLTESA-N 432.949 0.462 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccs1)C2 1779371194 PPVJZLCXBVTJHH-FOIQADDNSA-N 444.517 0.583 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1779393890 VWGLTMBEWTUPJS-JAMLUQCHSA-N 441.492 0.604 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782961245 UZCXNKDZLXBHLQ-KCXAZCMYSA-N 427.350 0.630 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783344945 WVYDDRKBTGMDPU-XJKSGUPXSA-N 444.286 0.795 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783355540 VAMUAPJTGDJIJH-WOSRLPQWSA-N 437.356 0.567 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21)[C@H](O)CCl 1784086880 QYWDLXIMAIHPSS-RUGDWHBFSA-N 433.896 0.460 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21)[C@@H](O)CCl 1784091926 DJXDMISMIUPYBU-YIVQXAGMSA-N 433.288 0.944 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1F 1785049715 YTBPBZKMXQHEES-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785682569 KDYQNEVPRBYKHH-HSZRJFAPSA-N 428.533 0.604 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979986 WOFUOJJPGDHLHK-VDGAXYAQSA-N 448.288 0.101 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1787508576 BOCSFEUTWWAZMG-SYJIGIJGSA-N 427.465 0.137 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(N2CCCC2)ccn1 1787621382 CCHMWKVERVNGDY-WQCNXYOZSA-N 436.940 0.875 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[S@](=O)c1ccccc1 1790590897 BSWDRYTZOUGCAA-QJWUQMOMSA-N 442.965 0.762 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1791255025 AILDZSGGOYVLFU-YXMSTPNBSA-N 425.917 0.511 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1O 1792979676 AZJCSZCCBRYUDT-DLTLXFJOSA-N 425.869 0.154 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1[nH]cnc1-c1cccnc1 1796191894 MKBLPAMVICJBTB-REPLKXPHSA-N 445.288 0.717 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)ncc1[N+](=O)[O-] 1797071006 JLLAWLFAANUNOP-BJWYYQGGSA-N 438.249 0.544 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1799276886 MQQKNAXPEWRYSY-ZSMOCIRGSA-N 429.304 0.620 50 20 ICGD Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799558997 FUCRMLFYGRAGMZ-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1800177295 WKLVJQZNGYINKK-DPIQGUFMSA-N 427.299 0.489 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1800334637 QOIGZSRNIGIZBC-AHHPBITISA-N 435.427 0.470 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1804255596 YQGRDDJYOIEPIO-GCJKJVERSA-N 448.288 0.620 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)O)[C@@H]1c1cccnc1 1808417158 VDGBCDYZCZHXTO-KAPJVXPESA-N 426.477 0.602 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1808767106 HKBYMHIGUREFIX-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1813034849 YZSKVDWPDHPJJL-HLLBOEOZSA-N 441.985 0.825 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H](O)CCl 1814876802 ZIPKCZRLKSCCLN-GHMZBOCLSA-N 445.954 0.862 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 1815795141 JUTSGXLLFQBUDV-QMTHXVAHSA-N 430.490 0.546 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1F 1817473201 LPAFLFWTDKTSIC-OAHLLOKOSA-N 440.244 0.880 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)[C@@H]1SC(=N)NC1=O 1818096825 FSIDNFXOMQOGNX-MGAJZRQESA-N 442.929 0.804 50 20 ICGD Cc1cn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)c(=O)nc1O 1823365099 KYLRFTQSFJNMOG-STQMWFEESA-N 438.872 0.272 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CO)o2)CC1 1829268318 ITCJNSOZZGLCLK-FQEVSTJZSA-N 440.305 0.999 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829819453 KXPRZWRFZBLJCZ-WBVHZDCISA-N 431.283 0.554 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1831877171 SWECDJTUWPMJKW-AEFFLSMTSA-N 433.557 0.832 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832972997 ZLSRBOLVVHBZLY-QAPCUYQASA-N 431.942 0.704 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1CC(F)(F)C1 1833128658 BOFIMTILVFYOQR-UHFFFAOYSA-N 449.307 0.597 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1833262263 LPCLOWHBKAPAJA-ZDUSSCGKSA-N 431.375 0.677 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833503646 YOBVVJJROBWKHE-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD O=C(CCC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834670238 AUNICACGCGDDMJ-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1834824732 KNWVSAXWMNIEQG-GOSISDBHSA-N 441.326 0.684 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835577467 XEJBPANISTVNTA-VQIMIIECSA-N 429.876 0.294 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1835833657 ZWFIVSRMNMXBAC-QGZVFWFLSA-N 441.649 0.002 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3C)CCO2)C1 1836554435 FOLCLUJWPZGBOC-DYVFJYSZSA-N 429.315 0.962 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116666 NEQAWDWYIBIYRW-GJZGRUSLSA-N 428.917 0.601 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C3(F)CCC3)CC2)CC1 1837922129 PBWVCVPYFLHBFH-UHFFFAOYSA-N 432.301 0.871 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838426545 YQIDYUDADVPUKW-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD O=C(C1CCC(O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202461 GEAYQZLRRCFXGH-YJJGSOMYSA-N 437.306 0.684 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212785 KBNYHGBMPXTLDL-GLJUWKHASA-N 446.342 0.095 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1839963090 ZRKOFEKXXRLPMK-MAUKXSAKSA-N 448.358 0.485 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031837 DNWMOIZZYAXZCX-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840033773 PROBTZDNVNHHFB-SJKOYZFVSA-N 431.283 0.625 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1840156567 VGUGMTASQPQGSH-XLIONFOSSA-N 442.944 0.600 50 20 ICGD N[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840187897 DERTUXUBOVPXDB-KBXCAEBGSA-N 431.320 0.732 50 20 ICGD O=C1NCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)ccc21 1840188604 SQJWUVWBRPCNLM-LJQANCHMSA-N 442.299 0.804 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840322970 JCHPBIRNJPRADP-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC12CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1843013079 GKEQRSMXXJFWFB-UHFFFAOYSA-N 447.300 0.602 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844490404 BESPTVALKOYZNN-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)cnc2s1 1846384932 ARTNUTVSMJCLPD-UHFFFAOYSA-N 446.533 0.254 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 26071069 FHBOVRDJKHRLNK-UHFFFAOYSA-N 443.489 0.766 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 726244531 UEFNHBYLQXNROG-MRXNPFEDSA-N 443.460 0.449 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 726714769 IHDACHWBXFECHK-UHFFFAOYSA-N 448.483 0.945 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CCc3ccccc3)cnc21 727090989 MFRMGNUUVAEKRK-UHFFFAOYSA-N 433.266 0.673 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C(F)(F)F 728328820 MERQOWKTUMWEMP-LBPRGKRZSA-N 428.323 0.583 50 20 ICGD COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1O 728330463 MJFRKODIEDCRRF-PDFOZTTASA-N 428.397 0.945 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc2cccnc12 731473445 WNFJQYSQLQDRCJ-ZDUSSCGKSA-N 429.462 0.255 50 20 ICGD COCCCNC(=S)N(C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 731651721 DCUXQSOGBLMXKK-UHFFFAOYSA-N 447.583 0.566 50 20 ICGD CC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 732001550 ZPTOCDPYYCAATE-SFHVURJKSA-N 444.513 0.762 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746387087 BZASLSFMCNXPSS-HJGBXLFDSA-N 432.565 0.921 50 20 ICGD CO[C@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)n1 750059310 FEZKGRVLLOGVIZ-CQSZACIVSA-N 434.472 0.885 50 20 ICGD O=C(NN=C1C(=O)Nc2c(I)cccc21)N[C@@H]1CCS(=O)(=O)C1 750935664 FFGLDQXTRHOZED-SSDOTTSWSA-N 448.242 0.434 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 751212790 XXTAOLFSQKFPBK-UHFFFAOYSA-N 434.474 0.645 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1=O 752014428 TZKSZIIPVWYHPU-VBKZILBWSA-N 425.449 0.537 50 20 ICGD COC(=O)c1cccc([C@@H](NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)OC)c1 753997753 GWCVBXHLVZGZTK-QGZVFWFLSA-N 449.485 0.872 50 20 ICGD O=C(Cc1ccc(F)cc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755036419 DJOBNEBKYSZARH-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 755406985 HCYOFMGUJZCOIB-UHFFFAOYSA-N 447.473 0.896 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)c3cnn(C)c3)cc2)C[C@H](C)O1 755420740 BUOMBOTTYTVGIY-STQMWFEESA-N 436.494 0.685 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)Cn2ccc3ccccc32)c1=O 757781261 QIENRPDNGNNSAA-UHFFFAOYSA-N 431.474 0.701 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)ccnc12 763257427 LMCIQRDHKVFWJV-UHFFFAOYSA-N 435.400 0.228 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(C)=O)c(OC)c2)cc1 763660054 VPOIPCDTQIHLHL-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763746221 QSMIEAQTABVKNM-UHFFFAOYSA-N 437.500 0.856 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1NS(C)(=O)=O 763757127 DDUZEDUFHWIZFI-UHFFFAOYSA-N 433.490 0.832 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 763915705 FKUNQEITAGSHOI-UHFFFAOYSA-N 447.448 0.792 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC 764003968 KDWFNJSHEACKLS-UHFFFAOYSA-N 431.401 0.883 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 764397807 NNMYXAPZPNDYGY-UHFFFAOYSA-N 445.436 0.688 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCN([C@H]2CCC[C@H]2O)CC1 769152437 FSSCKDXRPFEOLM-DLBZAZTESA-N 428.493 0.900 50 20 ICGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771736562 MHKXVBYDJMEWIW-QGZVFWFLSA-N 435.803 0.278 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896574 AEKINVRWHGYSBF-OAHLLOKOSA-N 444.941 0.698 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 776902424 RSSNROAZUBAPIL-UHFFFAOYSA-N 445.567 0.259 50 20 ICGD Cc1ncsc1C(=O)NNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777626564 XJZOBCOHUSNFGX-UHFFFAOYSA-N 427.420 0.940 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2COC3(CCOCC3)O2)nc1 777758722 OGAZOQXQMJKPBI-AWEZNQCLSA-N 443.526 0.660 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(NS(C)(=O)=O)c1OC 778437263 WQLQPWSJALVMMI-UHFFFAOYSA-N 446.482 0.361 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c(C)c1S(=O)(=O)NC1CC1 782832804 TZPWHTASPMSJSP-UHFFFAOYSA-N 446.485 0.849 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 782896359 LPKSMCUVNBYNNZ-UHFFFAOYSA-N 433.446 0.417 50 20 ICGD N#Cc1cccnc1OC1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 783039435 DISJLZYYNRVDHV-UHFFFAOYSA-N 426.433 0.997 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)COc1cccc(I)c1 783109231 FIMYMKJRYYJVEV-UHFFFAOYSA-N 443.197 0.840 50 20 ICGD CC(C)OCCOCc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783428969 ZVQBBRAADBCSQA-LJQANCHMSA-N 427.523 0.765 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003016 ZLERJAYPODQJRE-LBPRGKRZSA-N 430.417 0.147 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccccc3Cl)CC2)n(C)c1=O 784446948 SBBBMQOIKCRXQZ-UHFFFAOYSA-N 444.879 0.257 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3c(C)n[nH]c3C)CC2)cc1 787127806 UXIUBRBGSSTTIV-UHFFFAOYSA-N 448.549 0.031 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)n[nH]1 790891607 PYHZVCBJFWZSKP-NRFANRHFSA-N 425.445 0.768 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@@H](C)O)cc1 791871920 BSPCGTGRBXABKO-AUUYWEPGSA-N 446.485 0.121 50 20 ICGD CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 793381051 KKTBGVNBQCSSAY-LLVKDONJSA-N 439.899 0.196 50 20 ICGD Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C(C)(C)C)cn1 795174781 MPWMHZXTUHHIBM-XJKSGUPXSA-N 427.465 0.289 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 796991400 DEAJNXWZHAKSMV-UHFFFAOYSA-N 438.444 0.889 50 20 ICGD COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1 801600263 FIMOFZWCEACNCL-AZAGILFBSA-N 435.477 0.648 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 802720601 JHRJOWCUPXBDHI-UHFFFAOYSA-N 428.444 0.451 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 816878712 YCNRBNDNVYZZQT-NSHDSACASA-N 447.452 0.570 50 20 ICGD CN(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 818563594 PNTKEMQMBYANGC-RDTXWAMCSA-N 426.470 0.085 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 825785991 FQAYMYYKSPSPJL-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1 915037626 YDZYYJPBQWGYLI-UHFFFAOYSA-N 431.810 0.207 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)c1 916567433 DKLIGXIRWWWVDE-UHFFFAOYSA-N 425.488 0.495 50 20 ICGD Cc1ccc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 918211779 CTJVIKYYKPJLSB-UHFFFAOYSA-N 446.529 0.734 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 919884699 KLPGLXJHMXWJTD-TUYSUELWSA-N 434.518 0.456 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 1254254357 DJWFRECBAAFMFZ-OAHLLOKOSA-N 442.513 0.886 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCCCN2CCN(C)CC2)c2ccccc2c1=O 1318983904 BPSJGWULFDJUNV-UHFFFAOYSA-N 443.552 0.949 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C1CCN(c2ncccn2)CC1 1327702781 UENXYFYEQMQQRC-INIZCTEOSA-N 429.502 0.802 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028395 DNNLKURWNXHUKW-JOCHJYFZSA-N 438.488 0.075 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032167 DSVDMSYFSMKRHR-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ccnc2c1OCO2 1780021415 GBQHIPKQNMHDCZ-PJIJBLCYSA-N 425.869 0.538 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330564 BYJWWPNUVLJEFH-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1782002711 UUMMFOIEFSAYLE-OGHNNQOOSA-N 449.415 0.768 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783348062 UCOCRGXWLRRFRS-TXPKVOOTSA-N 439.354 0.955 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1783531115 BXZKVRPLJNFVPY-OPVXHNCFSA-N 432.290 0.515 50 20 ICGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)nc1O 1785351011 FHWOCVNTGMUMIW-LJQANCHMSA-N 426.901 0.352 50 20 ICGD CC1=CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1788100622 GNLBVPWPVDDZEA-GIUOSPMZSA-N 426.322 0.706 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C[C@@H]21 1788609800 KXFPHSATAVQJPH-CMPFRYPGSA-N 439.875 0.203 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791054377 DLPFVGRKJNWICG-GNSGDSHASA-N 428.327 0.608 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21 1791289103 KMFKQBHYQCSEEZ-WDSOQIARSA-N 432.521 0.418 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 1791292916 BKZTWEVQCAFZJC-FHWLQOOXSA-N 433.553 0.621 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)n1 1794578817 HQWJPKOKDMWNMM-MUJYYYPQSA-N 430.509 0.665 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cnccc12 1797563832 MSAGDAMUEHZLKI-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C2 1798521685 TXMNWIGSTPQMBD-GTYSZEQSSA-N 449.460 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800246367 ZKFRNJUQOPGNQX-SFNKJDCFSA-N 436.940 0.227 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1800639398 UAOLWAKALMIYOA-ZMJPVWNMSA-N 429.315 0.805 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1800977590 BCXIQXGFEZROPM-KPEUIFRASA-N 448.907 0.460 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1803139248 VLWVLTUXWWPGHO-QWFCFKBJSA-N 437.972 0.325 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)[C@H](F)Cl 1808308876 IWQFXNCJFHGUCM-GLQYFDAESA-N 433.831 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1810303719 VCQIWWJBVAMWBK-YWZLYKJASA-N 448.487 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=O)N(C)C)n[nH]1 1814564844 IUJQZLDRXSFTRZ-AWEZNQCLSA-N 436.517 0.046 50 20 ICGD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cnn1C 1815339433 FPPAUFMQJNZTSG-CQSZACIVSA-N 439.306 0.404 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401481 DFDSFHBFYWKNKX-NHYWBVRUSA-N 442.480 0.226 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2nccn2)n[nH]1 1820988951 YDPYMUYCJZTWKS-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1824477289 AOCLVYSUHJPAHI-YGNAEDSMSA-N 436.538 0.468 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCBr)CC2)C(=O)N1 1824966256 TXUJGRCFCSSVKQ-AWEZNQCLSA-N 443.342 0.943 50 20 ICGD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)cn1 1826935613 ULOFZOZAXXSMFI-OAHLLOKOSA-N 439.306 0.025 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166464 NAWZRVWQQNTCIT-LEWSCRJBSA-N 447.248 0.540 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122284 LBCRQWXHUVADHZ-KGLIPLIRSA-N 443.386 0.868 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250135 WUFWLBCMCMZRMO-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cnn1C 1834422608 CEPGOQITTUTWMR-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826670 SWDCEKYTOAVSFT-YJBOKZPZSA-N 448.358 0.533 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835084051 IRGGTTTZBBRSSJ-INIZCTEOSA-N 440.907 0.405 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717515 XKHOYMUFIAHWFC-YOEHRIQHSA-N 427.933 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981127 NQNKVGHKAXYIJQ-OXQOHEQNSA-N 440.928 0.543 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1838528393 UWZPLKVZUOHSHQ-HXUWFJFHSA-N 446.416 0.504 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839242817 LOQLMDDPGWYARX-QFBILLFUSA-N 428.917 0.279 50 20 ICGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839693295 VZIDEFLDROOPAV-FXAWDEMLSA-N 440.903 0.374 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1839898203 MGAYXBJHXANMCJ-NHYWBVRUSA-N 437.262 0.087 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961082 VBQRBRJTOYRNLA-KXBFYZLASA-N 431.316 0.850 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839963213 DVIABJQCCHGXSP-PBHICJAKSA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840037389 ZCIWEZVNQYRUBJ-RDTXWAMCSA-N 446.342 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CCCCC3)C2)C1 1840185150 LRZYLLXLPBGAPR-JOCHJYFZSA-N 438.569 0.786 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840341983 OUOZTUPBGGLXIE-WZHGYECESA-N 427.299 0.664 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038804 VRUPUSKPYOMMPM-PXNSSMCTSA-N 444.580 0.909 50 20 ICGD Cc1nnc(NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[nH]c1=O 11548281 IYVWWRMAVBNILH-UHFFFAOYSA-N 428.421 0.296 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 16785606 GFYXTNVMEDGGBR-CQSZACIVSA-N 437.499 0.683 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 110435664 BVKYRSMILRQKJJ-UHFFFAOYSA-N 430.552 0.632 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726980472 ZABPWPGEHUNDFA-UHFFFAOYSA-N 428.474 0.351 50 20 ICGD CN(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 727761510 KSWAKFHBQKPKGV-UHFFFAOYSA-N 436.456 0.815 50 20 ICGD C[C@H](Oc1cccc(C=O)c1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728338113 FDNAHESIGOQBTH-SCLBCKFNSA-N 428.397 0.797 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCN(c2ncccn2)CC1 728959244 ISJPOCIEAUDTQG-KRWDZBQOSA-N 429.525 0.672 50 20 ICGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 729295388 HFZKQOKVKBGCES-UHFFFAOYSA-N 434.518 0.681 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 729833619 KVDMAKIAMZMHGH-OAHLLOKOSA-N 432.458 0.536 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)n(C)c1 732261266 LVDZCVVYMKBEKB-HUUCEWRRSA-N 443.570 0.316 50 20 ICGD O=C(COC(=O)CNC(=O)c1cc(F)cc(F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 732331620 HAKOGPGEIQJNCL-UHFFFAOYSA-N 436.327 0.607 50 20 ICGD O=C(NNC(=O)c1ccccc1O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732914555 SEKUJPUAZXYXDJ-HNNXBMFYSA-N 441.492 0.632 50 20 ICGD Cn1c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc2c(=O)n3ccccc3nc21 744576451 FXCZAUCTTXFGEK-UHFFFAOYSA-N 444.407 0.676 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 745835275 ANKRUDFILMLJKZ-UHFFFAOYSA-N 440.409 0.824 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCOCC3)c2)C[C@@H](C)O1 745992998 RMANVTVNLZULLE-OKILXGFUSA-N 426.495 0.171 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 747407419 XIBIPOHXKVALBF-VIFPVBQESA-N 431.414 0.307 50 20 ICGD O=C1NC(=S)NC(=O)C1=CNNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747900623 SACUUAJDRPCTEN-SFHVURJKSA-N 435.509 0.649 50 20 ICGD COc1ccc(-n2cc(O)c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)n2)cc1 748013600 UFWCTFYOLWBUDJ-UHFFFAOYSA-N 444.473 0.954 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cn1C 750662537 GEHKLWQVRNSHOS-UHFFFAOYSA-N 447.473 0.640 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ncccc2C)cc1[C@@]1(C)NC(=O)NC1=O 751550724 LNFKSRXVLVRIFZ-GOSISDBHSA-N 433.446 0.077 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1C 756658243 IHZCSLIIVBYBAI-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD CC(C)[C@@H](C(=O)NNc1nc(Br)cn2ccnc12)N1CCCS1(=O)=O 758314986 IFUCAVBIKHRULU-NSHDSACASA-N 431.316 0.995 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccn1 758830973 LHFJXNRDKMKNTC-OAHLLOKOSA-N 431.474 0.411 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 760728324 MUUWORAVWZNLNG-UHFFFAOYSA-N 447.441 0.995 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763468640 OWHVFTRXMZBMTO-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763727248 AANWOOZISGTGAU-UHFFFAOYSA-N 438.423 0.340 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc2c1=O 763785072 CXGNAEMAUZVQAZ-UHFFFAOYSA-N 438.444 0.998 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cn1 763852885 IYTSMSRWXOTFMG-ZDUSSCGKSA-N 438.444 0.336 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 764002666 PKWMACVOWYKXTR-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764004648 PXOWLPFCULAVQI-UHFFFAOYSA-N 448.457 0.074 50 20 ICGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)c1cc(Br)ccc1O 764281141 ZRLUDTXSMYBMEZ-UHFFFAOYSA-N 435.234 0.962 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c1 764296649 DQMOSVXYNZIDBN-UHFFFAOYSA-N 443.201 0.731 50 20 ICGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)CNC(=O)c3cccnc3)c(C)c12 764343453 UXQLVNWZPLJGNC-UHFFFAOYSA-N 439.476 0.499 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)cc2)C1 764363854 UYHGRDCOSZKPJD-CYBMUJFWSA-N 448.505 0.240 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 765316986 HFCXTQWDYKIHPO-UHFFFAOYSA-N 444.510 0.934 50 20 ICGD CC[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C)cc1 765725480 SQAVVAJVPFPTSQ-AWEZNQCLSA-N 426.477 0.473 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 767163051 ADVDCRJKPMAJRN-UHFFFAOYSA-N 433.486 0.868 50 20 ICGD CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)=NNC(=O)CSc1nnc(O)nc1O 767362765 ZGOXGSPXBQVQSI-NSHDSACASA-N 442.498 0.893 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 768458559 BHUPCTDPYJLSSH-UHFFFAOYSA-N 430.442 0.731 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)nc1 769151881 CSPJIHASMNGNKV-DLBZAZTESA-N 440.570 0.772 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)nc21 770348667 JFAALFRBILOYCN-CYBMUJFWSA-N 439.480 0.597 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)nc21 770992902 WPUPDHIDONBOJV-UHFFFAOYSA-N 445.383 0.509 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)n1 773730184 GCMSEGZMWIFGNO-UHFFFAOYSA-N 425.409 0.429 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)cn1C 779146886 XRAFFLHCWTXVCJ-UHFFFAOYSA-N 447.271 0.821 50 20 ICGD COC(=O)CCSc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783427734 PWHAYXSWGCMJCF-KRWDZBQOSA-N 429.520 0.478 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCS(=O)(=O)C1 783427820 QIHIGKSBRLTVNZ-QGZVFWFLSA-N 428.417 0.973 50 20 ICGD O=C(NNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)NC1CC1 787857310 FRSCPIYQTDRYCI-UHFFFAOYSA-N 427.442 0.287 50 20 ICGD Cn1c(S)nc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2c1=O 788874209 HLYDJOWXSSREPT-UHFFFAOYSA-N 446.514 0.590 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC(F)(F)F)c1 792695977 CFBBUOGBPMNFIL-MRVPVSSYSA-N 446.381 0.028 50 20 ICGD Cc1cc(Cn2nnc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C)on1 794217006 AUKLBRICEHUVMP-UHFFFAOYSA-N 432.466 0.299 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 795182283 SQZQQEGDHHAPAF-UHFFFAOYSA-N 432.911 0.995 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2)CC1 798982167 FCHBAYCJHARQSP-OAHLLOKOSA-N 432.550 0.604 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 802433182 NJZKDJVMTIDFGV-UHFFFAOYSA-N 446.892 0.601 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)c2C1 803837656 SDCREGQSIHVWPR-MRXNPFEDSA-N 441.488 0.437 50 20 ICGD Cn1cnc2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccnc21 805155138 WOCSMXLXSQFNGH-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3ccccc3[N+](=O)[O-])n[nH]c2n1 917410342 OFKDXABDXMFLSW-UHFFFAOYSA-N 432.470 0.948 50 20 ICGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 919692359 DXUXPYIJBCHXQW-UHFFFAOYSA-N 431.517 0.745 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919889751 SNESFNYRUINJEA-DZGCQCFKSA-N 426.470 0.195 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)nc1)NNC(=O)C1CCN(c2ncccn2)CC1 1318262142 HXWLJBAXDMLAJH-UHFFFAOYSA-N 440.508 0.455 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778126828 VSDCCEOOHXKIJQ-FOIQADDNSA-N 445.944 0.937 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779559235 BIAVXKOAQHCGFW-SCFUHWHPSA-N 448.358 0.435 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C(F)F 1780308365 UJQSGEVTYMKNRN-IBGZPJMESA-N 442.467 0.403 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)ccn3C)C2)C1 1780407994 LNAXDOPHPDVJDJ-ZHNJOBQTSA-N 440.504 0.911 50 20 ICGD COc1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1780525847 FCHDKQPEAQAHPY-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 1783387284 NSOYMMOGEZPRKY-NRFANRHFSA-N 438.475 0.710 50 20 ICGD N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1783603339 CCWREQMXUOPNIV-BVSLBCMMSA-N 447.300 0.074 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1783885324 ZCGDLEZGLUSRCI-DYESRHJHSA-N 437.924 0.809 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936673 KUJMRKQGASUCJB-JOCHJYFZSA-N 432.521 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1783938113 UNPLICFIHRHDLA-OAQYLSRUSA-N 436.484 0.135 50 20 ICGD Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)cccc1=O 1785869911 VXKMAIBDSIMTEC-YDHLFZDLSA-N 426.311 0.764 50 20 ICGD Cc1ccccc1NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786946353 ZOSZIHRLCZWZEW-BJLQDIEVSA-N 445.564 0.760 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787528105 JHEZRQRVKWOBHZ-XQLPTFJDSA-N 432.359 0.912 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)on1 1789367850 ZONWSBAZGAKRSH-MPGHIAIKSA-N 435.525 0.764 50 20 ICGD COc1cccc(OC)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789471880 ZWJPCVIAWUMWQR-WSMBLCCSSA-N 426.897 0.897 50 20 ICGD CC(C)c1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794255404 PYUMWAPLXTZSFZ-JLVBRIDZSA-N 443.334 0.463 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)cn1)C2 1796441251 OIPKDOZRRIMTGB-LLJCUJCISA-N 438.488 0.727 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C=CCN1)NC(=O)NCc1ccccc1 1796753784 OYBIECGFXBBBTQ-YRPNKDGESA-N 440.548 0.499 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cn1)C2 1797751838 UEZHWKNDDMYQSH-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800242685 CACHYJQLQAGPRZ-RMFSNUHRSA-N 446.624 0.825 50 20 ICGD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2 1800753338 HAFYGXPXADBZSU-RDDKANTKSA-N 425.323 0.963 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802226406 HMGJOPHOQQEBDH-XGUBFFRZSA-N 445.944 0.887 50 20 ICGD CCCNC(=O)CCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805878681 UCJNKZAJSAQFHI-UHFFFAOYSA-N 443.353 0.518 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807374008 FWMBZONLZRAYKX-QUCCMNQESA-N 448.288 1.000 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)C1 1809980175 NZHXNXJSJLRVED-LJQANCHMSA-N 427.354 0.553 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810007648 VMYNWKHBHCSBGG-UHFFFAOYSA-N 444.728 0.761 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncccc1F 1811121459 HPNIALKNNOJGNR-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812393588 PDIBLHIRPWAXBX-WCQYABFASA-N 431.276 0.434 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C(F)(F)Cl)[C@@H]1c1cccnc1 1813211518 KJWOVUBUEAXLJZ-HOCLYGCPSA-N 437.639 0.913 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339370 BGRBOPXVVRZMNE-HBWSCVEGSA-N 443.290 0.168 50 20 ICGD O=C(Cn1ccccc1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817515606 BWCXYGHHIXRNLZ-GOSISDBHSA-N 449.276 0.257 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1 1818660869 WGYCLPWTTMQYPW-GARJFASQSA-N 430.490 0.138 50 20 ICGD COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)nn1 1821073125 MZPLTKLIRORDFZ-NSHDSACASA-N 447.521 0.541 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833169340 NUZARVLBNWEOOY-QZTJIDSGSA-N 431.320 0.712 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)C1 1833306252 OQANJZGSYKSWJA-HDMKZQKVSA-N 443.972 0.747 50 20 ICGD COCCn1nccc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310470 KGJSLDASCNNNBJ-GOSISDBHSA-N 441.960 0.314 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n(C)n1 1834158502 PFBHBOGMGGARLW-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835079269 RCOWNVGKVNZSML-WFASDCNBSA-N 440.969 0.420 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1837702910 PSVGVOJBTJXQKK-HBUWYVDXSA-N 446.342 0.307 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838466698 MZQHMHCNJMDKBP-WIYYLYMNSA-N 448.907 0.954 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)no1 1839150674 UNHAYZSPYVEGFJ-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200210 DMVYJTQYBGTBCY-BXUZGUMPSA-N 437.291 0.607 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989236 WFIYERGPESQGPY-IFXJQAMLSA-N 449.932 0.221 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840150255 IIHISCJEAOXQSY-YLJYHZDGSA-N 425.913 0.724 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1840151327 YNWZYBLELNOKGY-APWZRJJASA-N 429.901 0.544 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)cc1 1840187249 OZDDUQSEKNWYQS-BEFAXECRSA-N 447.315 0.989 50 20 ICGD O=C(c1cnn2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188602 SLUNECDVICWZGK-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD Cc1nn2cc(CC(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)nc2s1 1841787254 SETBFKCZYXSYBC-UHFFFAOYSA-N 433.538 0.218 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058462 MRNSXNLNQKJNCJ-SKDRFNHKSA-N 443.273 0.887 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 726538248 YIYKVNGSIUVBGW-UHFFFAOYSA-N 440.391 0.330 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 726710689 NQPOQJLRCPONPR-UHFFFAOYSA-N 442.436 0.068 50 20 ICGD C[C@H]1NC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)=NN(c2ccccc2)C1=O 726862849 FPJXCCNIQOUSIV-CYBMUJFWSA-N 442.501 0.909 50 20 ICGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(Cl)c1OC 730433883 VHHOEPQRNJPUNJ-UHFFFAOYSA-N 427.870 0.392 50 20 ICGD CS(=O)(=O)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 731186107 JJQGOFIHDVNAFS-UHFFFAOYSA-N 431.536 0.447 50 20 ICGD O=C(NCCOC[C@@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731763663 YBWDDDWWSLKJNO-OAHLLOKOSA-N 440.522 0.468 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)ccc2c1=O 732260498 DZZRZPIYJRSGBZ-BETUJISGSA-N 433.534 0.965 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1Br 732305009 DETPNSVFNAUGFU-LLVKDONJSA-N 434.312 0.338 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474879 YBNRKKOAODCSMY-OAHLLOKOSA-N 437.522 0.529 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915160 XCAIJICRQVOHJN-QGZVFWFLSA-N 440.508 0.250 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1cnn(-c2ccccc2)c1 733110141 CPXUNVUZWALFJR-UHFFFAOYSA-N 434.368 0.838 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2cnccn2)c1 734245296 QZHZVDFAACNJAT-UHFFFAOYSA-N 430.284 0.921 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)OCCO3)CC1 735116652 BEZHLKNWYOGLBP-UHFFFAOYSA-N 433.490 0.546 50 20 ICGD C[C@@H]1CC(=NNC(=O)C[C@@H](C(=O)NN=C2CCN(C)[C@H](C)C2)N2CCOCC2)CCN1C 741765930 GFICSEIXBCWIAA-HLIPFELVSA-N 449.600 0.250 50 20 ICGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)c1 742028591 VQGZUWOGDURWDZ-UHFFFAOYSA-N 426.418 0.550 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742478530 QTFXMSJZSANJOU-GGLGGFLESA-N 429.473 0.771 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)Cc3ccncc3)CC2)c1 747323381 YOHXZEFJQYAPMV-UHFFFAOYSA-N 431.518 0.232 50 20 ICGD Cn1c(O)ncc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1=O 751568260 VWQHGQWUYSYSLY-UHFFFAOYSA-N 446.423 0.319 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1ccc(C(N)=O)nn1 757404235 NDZBUXJLQVGHJN-GFCCVEGCSA-N 442.498 0.258 50 20 ICGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535687 QLXSVMFKNZBKBP-LBPRGKRZSA-N 441.392 0.935 50 20 ICGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 759697062 PKHBVWCTBBDIHY-QGZVFWFLSA-N 436.476 0.986 50 20 ICGD O=C(NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C(=O)Nc1cnns1 760279335 MMUXCSLCQOKQHW-UHFFFAOYSA-N 449.456 0.640 50 20 ICGD Cc1nn(CC(F)F)c(C)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 760826653 JYHMJHDLPITBDV-AWEZNQCLSA-N 438.387 0.909 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1S(N)(=O)=O 763664698 FFEUWDRPKBSRRU-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 763773078 UBWBUQUVQZSZEJ-UHFFFAOYSA-N 430.417 0.358 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763874100 ZOQYRERDOTUVBA-TZMCWYRMSA-N 428.420 0.983 50 20 ICGD CCOC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916224 DLKZXYZDGQDJSL-UHFFFAOYSA-N 443.445 0.609 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCc1ccccc1)CC2 764193248 SWKXPMDXQGAMRX-UHFFFAOYSA-N 444.513 0.654 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ccn(-c2ncccc2F)n1 764345603 HMLLOZXHRAPXPB-UHFFFAOYSA-N 434.391 0.992 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1cccc(-n2cnnn2)c1 764387647 LYOLDPBQMYUROV-UHFFFAOYSA-N 435.379 0.591 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)n(C)c1=O 765730630 MTRYOIZTIRKVPV-UHFFFAOYSA-N 440.391 0.294 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 766272327 SUJRUQBKLOZLQS-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 766309820 ICOQFBMFNBDYCF-UHFFFAOYSA-N 441.849 0.599 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C)cc2)cc1OC 769321649 FHXAHFAQMOYTIY-UHFFFAOYSA-N 437.474 0.517 50 20 ICGD C[C@@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 770967687 RSKCXHZMOSXHBL-ZYJFBCHUSA-N 443.464 0.281 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCn3ncnc3C2)cc1 771625462 JFHDCVJJFFOHQY-YBEGLDIGSA-N 446.471 0.975 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 771827747 VRFKMILMSKRBLC-HXUWFJFHSA-N 428.449 0.336 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771854505 STCPMAGRVNCUOH-ZDUSSCGKSA-N 438.506 0.631 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 776980212 NMLDVFXRJQQNDB-NRFANRHFSA-N 443.435 0.710 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 778438395 RECAVMXWJPDPPH-UHFFFAOYSA-N 434.902 0.681 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)cc(F)c1Br 785995535 WOTMSSINWXDUON-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)n2)CC1 787548147 ANWAWNDKCADHBC-UHFFFAOYSA-N 432.506 0.734 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nnc(-c2ccccn2)s1 788555924 YOTDNEGABFPNGQ-UHFFFAOYSA-N 449.518 0.716 50 20 ICGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1OC 790054168 VKNOBGSEDRSDPV-UHFFFAOYSA-N 445.837 0.468 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 802067622 XIHYMKYAWOOSKW-HXUWFJFHSA-N 432.502 0.880 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 805845383 TZIYARRWGJCDQW-ZDUSSCGKSA-N 438.428 0.297 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806568354 RFEBZNLXKRWXIL-GFCCVEGCSA-N 426.417 0.527 50 20 ICGD NC(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nc1Cl 806973505 DMTUTTNREWAHHN-UHFFFAOYSA-N 439.881 0.612 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 812958061 BGVSBPRVGRZRQS-UHFFFAOYSA-N 431.478 0.970 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cn(Cc2ccccc2)nn1 815628698 HRDWRHPFCGNEQG-HKUYNNGSSA-N 434.456 0.985 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912921727 UEEZSEQQDYNBNW-HUUCEWRRSA-N 426.539 0.634 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3cnccn3)CC2)ccc1Cl 915594119 HFCPOVBISJCQGO-UHFFFAOYSA-N 438.897 0.455 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)cnc2c1 915636274 DFEVKMFIASSGDH-UHFFFAOYSA-N 428.474 0.679 50 20 ICGD CCN(CC)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 915888624 CHEJCGAEAMBVHG-UHFFFAOYSA-N 427.575 0.376 50 20 ICGD CCc1c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1C 916093008 VUOLDZVKEXDSPN-UHFFFAOYSA-N 449.533 0.397 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)cc(OC)c1OC 916622334 JOIZDPFSYADWLS-UHFFFAOYSA-N 432.499 0.374 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1COc2ccccc2O1 917235250 MSXREFMCJXGVMM-GOSISDBHSA-N 428.397 0.992 50 20 ICGD CCOCCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918217606 HGLRIBQRUCFWQP-UHFFFAOYSA-N 428.511 0.468 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N[C@H]1CCS(=O)(=O)C1 919888346 MIRXKTVNFLMYDI-QWRGUYRKSA-N 449.316 0.864 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c3ccccc3nn2C)CC1 1116655582 TZYQYSXXPCBDKQ-UHFFFAOYSA-N 429.506 0.661 50 20 ICGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1325075999 FFNTVLNBHNTGMB-CQSZACIVSA-N 449.533 0.426 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378263 JFLAMGKEPFZWEK-BONVTDFDSA-N 430.259 0.792 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 1780498643 CHUGHEVIPWQHHD-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD CN1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)C1 1782212321 RRTNZZCJGSAJSO-NJNPRVFISA-N 437.585 0.215 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783820110 OHXMYXALTLYXPL-LXFSFDBISA-N 433.933 0.479 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1783881170 PMGRVZJEQIMRPP-UGSOOPFHSA-N 427.841 0.998 50 20 ICGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1cccc(Cl)c1 1784090072 PUAOPVUWARSQJS-RKOFLFEYSA-N 430.332 0.919 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096176 SZODSPLZQCEOEN-RPZXMPESSA-N 428.888 0.956 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785573175 VZROCHJLPGPDBY-AUSJPIAWSA-N 443.928 0.333 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3CCOCC3)[C@H]2C1 1786737957 RSNYGFVYWSOHQI-SNRMKQJTSA-N 445.520 0.095 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789379254 XGPCXFXXYJEKHH-DNVSUFBTSA-N 430.299 0.934 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(C#N)c1 1789839777 GYPYJVBAKLPCSC-QZHFEQFPSA-N 435.908 0.689 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056136 OSZJINQMQZPHOS-AICCOOGYSA-N 428.331 0.677 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn1C 1794607393 WFQPQZPAEKMBSY-SNOXVSQISA-N 426.477 0.362 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1ccc2c(c1)CNC2=O 1797548942 PXWIFFOFXNDGKL-XOIINTDNSA-N 436.306 0.918 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799154595 ZYXAVSSLLDIPLL-MTLKIPAASA-N 427.929 0.231 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799756378 TYOLEKVDEMNTJU-VAECKANCSA-N 429.832 0.845 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800642647 UNLOBLWHPBPSDR-UHDSXZAQSA-N 445.402 0.385 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800759070 FWOGWRXXTCDVSF-CKEKPRIKSA-N 431.205 0.465 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1800973489 ASRNOKPIYXABDE-ZWUHOBOKSA-N 429.926 0.321 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1800978790 KBJITHHOTTWPCF-AODNKKSCSA-N 441.887 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 1801011483 OXTPKPKGTLAFBN-HBCWATKFSA-N 428.493 0.139 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccccn1 1805439875 DKRUYZHACZYNIK-RXVVDRJESA-N 430.273 0.790 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)c1 1805951013 KRPWOBWVKSVZJY-BEFAXECRSA-N 448.487 0.447 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806784138 ZPYWFOHCLPAIOA-HNAYVOBHSA-N 440.504 0.561 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367880 OFLCGLJMLVLVMS-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC3(CCCN(C(=O)CCBr)C3)CC2)N1 1809066010 FBBQKDPAKDGLML-LBPRGKRZSA-N 429.315 0.601 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1 1810294474 LMFYNVHKHYKMJO-XTUQQUOLSA-N 438.488 0.171 50 20 ICGD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)co1 1815339991 ZOISTUFQRWDPBY-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)s1 1817471699 XJAHQDGQDMCMEH-CQSZACIVSA-N 440.294 0.748 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474806 ZBRFFHGVTRJSBK-RBUKOAKNSA-N 439.325 0.880 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1819401702 OZEXEZNHVNCHMQ-QGZVFWFLSA-N 449.475 0.747 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC1(O)CCC1)CC2 1819801090 GHMLGDLMWKHOCO-LLVKDONJSA-N 444.517 0.673 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820162526 KUEXHBSLXMRDLS-AWEZNQCLSA-N 447.398 0.900 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821043195 NTQMUSXHKAOXDI-IUCAKERBSA-N 438.897 0.512 50 20 ICGD COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)nn1 1822414730 LADPTRUFZLVIGU-HNNXBMFYSA-N 444.496 0.887 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824255125 FHFMDIZBWLDZEM-MOPGFXCFSA-N 431.537 0.935 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1831192027 WKSKPAAXZVGMHD-LBTNJELSSA-N 448.358 0.531 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCn2cncn2)CC1 1831874861 NDIGPEANQXWHFR-SFHVURJKSA-N 433.557 0.661 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1833817111 KUPRGSITMMMSQX-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD COC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737042 IQNWULAIOKQCJM-OAHLLOKOSA-N 446.552 0.153 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835939612 BSWXJKYCFXKAHN-BSRJHKFKSA-N 444.337 0.263 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n[nH]1 1837583302 LUILQGLFRSVHKZ-SCLBCKFNSA-N 443.342 0.748 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1 1838364270 MFYZLDRRAYUNPS-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD CN1CCN(C2(C(=O)N3CCOC[C@]4(CN(C(=O)C(Cl)Cl)CCO4)C3)CC2)CC1 1840189190 BZSJDJGUCOYYRE-SFHVURJKSA-N 449.379 0.027 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380740 SDACHSPDGGPETO-KRWDZBQOSA-N 443.602 0.205 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1O 1843014615 GNFJCSBSSCRWPB-UHFFFAOYSA-N 437.261 0.161 50 20 ICGD O=Cc1cccc(OCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728340605 ZLTKHEBVOKLODD-GOSISDBHSA-N 428.397 0.799 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728890158 YGMUFCKAELPEFX-UHFFFAOYSA-N 432.506 0.452 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)ccc1I 729274507 OEYFJHQOFYXSJK-ZCFIWIBFSA-N 445.666 0.643 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 729623683 OMLNONMPEMEBLR-HZPDHXFCSA-N 441.554 0.055 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730672302 FTEVJEPYRYVIND-UHFFFAOYSA-N 432.593 0.796 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)nnn1-c1ccc(OC(F)F)cc1 731168018 QQNQKIFKMUNRPZ-UHFFFAOYSA-N 434.359 0.961 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCN2CCCS2(=O)=O)CC1 734826090 WQKBWZDIWWDJMD-UHFFFAOYSA-N 433.531 0.142 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)CC1 734826097 WVWMNKIXVMUHFH-UHFFFAOYSA-N 447.539 0.739 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(Br)cc1F 735459724 BNVPERGMRKDGTP-UHFFFAOYSA-N 435.231 0.732 50 20 ICGD O=C(C[C@@H](C(=O)NN=Cc1cccc(O)c1)N1CCOCC1)NN=Cc1cccc(O)c1 741765952 GMTQJMLSPUARNL-FQEVSTJZSA-N 439.472 0.789 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 745485013 GPFZAOYEYZTEJG-UHFFFAOYSA-N 431.521 0.072 50 20 ICGD O=C(NNC(=O)N1CCC(OCCN2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 745998733 PPOAQQUSYXNJBF-UHFFFAOYSA-N 428.497 0.594 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC3(C)CCC3)CC2)cc1 746239900 KTTYYDRXMYGZNS-UHFFFAOYSA-N 438.550 0.408 50 20 ICGD COCCCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 746759176 AYYANTZKHWGVFF-UHFFFAOYSA-N 427.523 0.604 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 748629143 ZZLGWFBBSGHECU-CQSZACIVSA-N 441.916 0.371 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1 749351268 ANSIACADXDGTHP-UHFFFAOYSA-N 443.595 0.538 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 756890373 JCAIYBXRRKRUJK-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD CCC(CC)[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCOCC1 758512447 LWUPTLKJYVMLRQ-HNNXBMFYSA-N 440.404 0.950 50 20 ICGD C[C@@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1 758803262 JHNWBSNPBXKXEU-WBVHZDCISA-N 426.477 0.640 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCS(=O)(=O)C1 761947840 WZMLFBDZYOEUIW-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c2ccccc2O1 763456088 VXIQTNSXJICTLJ-GOSISDBHSA-N 433.424 0.536 50 20 ICGD O=C(NNC(=O)C1=S=C2CCCC2=C1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 763784697 GSNNYAPDYHOEGN-UHFFFAOYSA-N 448.526 0.514 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2C#N)c2ccccc2O1 763808378 NAMITEGTEHQBJP-QGZVFWFLSA-N 438.396 0.052 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 763849443 LORYTEJTORITPQ-HNNXBMFYSA-N 442.472 0.982 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 764203793 FABIRHNTMCISKR-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD CCN(CC)CCn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764424029 GCHIUAAMMGWBLI-GOSISDBHSA-N 431.493 0.484 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCCc3cccnc32)CC1 770001915 NRSKSXPYFOVYAR-INIZCTEOSA-N 430.534 0.976 50 20 ICGD CN1CCN(C[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)c2ccccc2)CC1 770372073 PZSCPGCEULJTRE-MRXNPFEDSA-N 425.497 0.684 50 20 ICGD Cc1cc2c(N3CCC[C@H]3C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ncnc2s1 770883751 PLIOLYKZOJPWKA-YPMHNXCESA-N 438.535 0.486 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 771985121 NJLFFUNIYDWUKW-RYUDHWBXSA-N 437.449 0.554 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 772017831 XXGMTJBHGOWSDT-SNVBAGLBSA-N 435.296 0.853 50 20 ICGD O=C(Cc1csc(N2CCCC2=O)n1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772188730 UAGWYVIRWYJUOX-UHFFFAOYSA-N 435.893 0.930 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(Br)o1 778436365 IIESBMGELDZBDB-UHFFFAOYSA-N 433.259 0.786 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 778441207 PMOFUTXVHFBJRC-LJAQVGFWSA-N 427.479 0.628 50 20 ICGD CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 783426625 IFTLZQMJHGDEQC-FQEVSTJZSA-N 436.534 0.695 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)c2)CC1 783432829 FLECAEBMPTVPIC-UHFFFAOYSA-N 435.492 0.492 50 20 ICGD Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783996179 FYWNGUHQXOIPAS-UHFFFAOYSA-N 437.456 0.956 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1NC(=O)OC(C)(C)C 784003249 SCBZCOFDLSRWGO-UHFFFAOYSA-N 449.464 0.751 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 784004999 NTZYYINIXHHWIE-UHFFFAOYSA-N 430.421 0.589 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785060812 NRZLKDIUSRHMKN-UHFFFAOYSA-N 429.408 0.827 50 20 ICGD CCCCNC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790391768 MLEMKDLTDIPSAJ-UHFFFAOYSA-N 434.540 0.309 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C(=O)O 790404809 PCQOMRGOGJVJJU-UHFFFAOYSA-N 437.858 0.881 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnn2CC(F)F)CC1 790729971 JFUDEVDBBNKACI-UHFFFAOYSA-N 429.453 0.236 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 797369117 OGQKMMXBVNPETH-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1C#N)S(=O)(=O)c1ccc(F)cc1 798117888 ATTNNYOCWXHSLM-UHFFFAOYSA-N 449.464 0.727 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 801109500 QFEWUZPTHOUCIE-UHFFFAOYSA-N 440.456 0.869 50 20 ICGD COC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 804123746 SNYZMHDREGYLCR-UHFFFAOYSA-N 430.458 0.168 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNc3ccccc3C(N)=O)CC2)cc1 809725035 IDCDBEOPPLQKHO-UHFFFAOYSA-N 438.532 0.471 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)[C@H]1CCCO1 814343649 IVZBRUAUMQHFFQ-QGZVFWFLSA-N 435.506 0.396 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 915261601 SAQYEDCPXFLSII-KRWDZBQOSA-N 448.545 0.881 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1OC 916645320 QRSLETNKUXALTH-UHFFFAOYSA-N 436.490 0.767 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917197888 ROMXLJPWFHBRBC-ROUUACIJSA-N 429.498 0.565 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 919134636 JWMNUHKSPMPZGH-UHFFFAOYSA-N 429.838 0.815 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc(F)cc1F)NNC(=O)[C@H]1COc2ccccc2O1 919903576 YLEQCAHTSZEXKW-MRXNPFEDSA-N 449.366 0.225 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc2c1=O 920285605 TUPQBCYZOSDTLY-UHFFFAOYSA-N 445.413 0.320 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnoc3C3CC3)CC2)cc1 1319337576 QNIKQLWLDAECSE-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD CC1=CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1778096217 IHLSAKBOUDSYBC-OPAMFIHVSA-N 427.505 0.875 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782018991 LKLAIAPOPFNNAF-FXAWDEMLSA-N 433.896 0.965 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981118 TUIBUTWGCHTHOM-QEJZJMRPSA-N 449.725 0.383 50 20 ICGD O=Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1786988712 HWZQOYXUCQMTBV-WBAXXEDZSA-N 442.302 0.148 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1788653667 AYTWTPUUFRZUSH-OAHLLOKOSA-N 437.305 0.981 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921000 PALIKJGEZVSYRI-KBIXCLLPSA-N 436.307 0.864 50 20 ICGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924901 GUMYFVVETFKDSO-WJTVCTBASA-N 427.336 0.771 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588293 ARRCWJPLZWGFFD-IHRRRGAJSA-N 426.901 0.806 50 20 ICGD CNC(=S)NCCC(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791601195 USKJRNIFAQAPQP-UHFFFAOYSA-N 448.593 0.978 50 20 ICGD CC(C)c1csc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794256803 MAXFWJDGFYLEBV-ZSBFGKGUSA-N 437.566 0.843 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cnccc13)C2)c1ccc(B(O)O)cc1 1795734773 ZKFQVIAWCFZMMJ-OPMZPASUSA-N 445.284 0.432 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1799268156 QAYUIMYQQFTWJW-QKPAOTATSA-N 435.974 0.265 50 20 ICGD COc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012125 GHTDCPNJAYBFQP-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1804072184 KNLNMYOSJMFPRN-PGRDOPGGSA-N 446.552 0.329 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814221818 JWGKPOLVKMUELA-ZLDLUXBVSA-N 426.315 0.787 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC=CO1)CC2)c1ccc(B(O)O)cc1 1815344265 QMTMWIIBVNANST-ZBFHGGJFSA-N 427.291 0.741 50 20 ICGD Cn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354706 BCHBVNJHRNIXPH-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncnc2)[nH]n1)c1cccc(B(O)O)c1 1817474905 IVCWZTOSXQDDEB-IBGZPJMESA-N 448.292 0.818 50 20 ICGD CC(C)(O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402134 OXZGTEWUUWGVHK-OAHLLOKOSA-N 429.481 0.875 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820790269 RYTYCGJOAVESOL-CWRNSKLLSA-N 426.949 0.637 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826080703 UPPDIHBJDAAOTN-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1830353880 LFEVURQJJKXGBM-IBGZPJMESA-N 434.002 0.757 50 20 ICGD Cc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830724641 AGFKBRJNMGSMNV-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486913 CVKIWQXNXNDJRF-ROUUACIJSA-N 433.977 0.147 50 20 ICGD Cc1csc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1831774706 AAELIMCEXNLODM-NRFANRHFSA-N 444.318 0.120 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1=O 1831887616 BRMFEAMLFRSACY-DYVFJYSZSA-N 446.273 0.146 50 20 ICGD CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832315907 OAOAILLIAHDASQ-BBRMVZONSA-N 425.295 0.948 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832930644 JXTDFNCGUDKMTC-CXAGYDPISA-N 445.314 0.550 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833125452 VIYVNGBBCIUPBJ-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD COc1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833308101 IMPBKMQAHKFSME-HNNXBMFYSA-N 425.917 0.270 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)c2N1 1833312143 KKEHEVCDUSXXDF-SFHVURJKSA-N 448.951 0.966 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1836062830 XOBSKBNADHRLOL-MSOLQXFVSA-N 433.336 0.655 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1836751426 PTPRREKRDUNFEL-MCFFVMPBSA-N 445.520 0.191 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1837693140 IFXDSCQQXKVJPR-PMUMKWKESA-N 446.342 0.165 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839153289 FJFMSIYKPJQPNA-ZWKOTPCHSA-N 432.304 0.626 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198945 PIXPBVFYQMMQMR-GDBMZVCRSA-N 438.294 0.002 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840384667 FYJDVTUEZYJDFW-HXUWFJFHSA-N 438.601 0.971 50 20 ICGD Cc1nc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(C)s1 1842105421 SGJSFGIZJAIVHQ-UHFFFAOYSA-N 428.518 0.818 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011963 OCHKHCJHQXXQSY-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)C(=O)NC1CC1 10214500 KGASSTMOHXJXJO-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 726871315 KHXVVOHIEHHTEE-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CN(C)CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 727761604 SKLCOIXEBPJLEE-UHFFFAOYSA-N 430.836 0.736 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1C 728376801 KEWCUIFLDDZUKV-CYBMUJFWSA-N 437.547 0.948 50 20 ICGD CCOc1ccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OCC 730569126 ORAVRLZZQUQAQK-UHFFFAOYSA-N 435.506 0.909 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)c1ccccc1S(=O)(=O)N1CCOCC1 732110837 PWKBPZJOCLAACB-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 732307821 NROJZLKRKXOKKY-QZTJIDSGSA-N 429.498 0.610 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 742077349 ZBDFOCQHQYBARN-CYBMUJFWSA-N 445.505 0.351 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)N[C@@H]1CCS(=O)(=O)C1 742577014 KOUJLNCQSNWFGU-NWDGAFQWSA-N 438.535 0.425 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 745861649 DFDXHWUOSNPXIC-OAHLLOKOSA-N 440.570 0.699 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 746550978 ZAAVJMZMPGVSIN-UHFFFAOYSA-N 426.477 0.915 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)CO 753439546 PPWOVROEAKCJPN-NSHDSACASA-N 430.335 0.533 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O)OCO2 753841792 UUEVDCNLRGLHAO-UHFFFAOYSA-N 431.357 0.072 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1 755564968 YJCSNXAXUPOKMF-UHFFFAOYSA-N 433.538 0.931 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)c1 756081966 SBQMMAAFYNRGCR-UHFFFAOYSA-N 434.503 0.212 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nnc2ccccn12 756433976 RSZJEPVQVSFRDJ-UHFFFAOYSA-N 445.461 0.217 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1F 756818672 PCUWMPNIRCKYLU-HZMBPMFUSA-N 426.401 0.075 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2c1=O 762379629 MHSIKEJZYMUXAO-AWEZNQCLSA-N 426.477 0.669 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762937329 JCAGUIPMVFVZIS-CYBMUJFWSA-N 425.536 0.899 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763420199 OFWIIDDQIAAGEA-UHFFFAOYSA-N 425.445 0.357 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763445062 DYQNCLACLOXCTL-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1 763463895 LNJHBJZCIQNURR-UHFFFAOYSA-N 433.490 0.806 50 20 ICGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763579585 ZTPHTXOSECMRFG-SFHVURJKSA-N 429.429 0.946 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 763662692 YYMGWMMIWAFVFP-UHFFFAOYSA-N 430.417 0.228 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)cc1-n1cnnn1 763896679 RFWRUCNVSQAICC-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(OCC(F)(F)F)c1 764296996 LELZMVCXBPPVBL-UHFFFAOYSA-N 443.338 0.846 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc2O1 764345898 LLLUOVRRQSWIPR-OAHLLOKOSA-N 433.804 0.774 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1CCCO[C@H](C)C1 764578347 SHZWMZZQGOSOQW-CQSZACIVSA-N 440.570 0.733 50 20 ICGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 765733107 NLJCUWJXZGSYEQ-AEFFLSMTSA-N 438.550 0.406 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 767468881 HBYFFLQGQPKNPD-MRVPVSSYSA-N 433.364 0.622 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 768407774 UIOHEOUQLFAMSU-UHFFFAOYSA-N 442.505 0.560 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1=O 768636004 NQTKHYNKIOMZHM-LSDHHAIUSA-N 438.550 0.875 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1OC 769339720 IZMKMGMTSPUESL-UHFFFAOYSA-N 426.451 0.438 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 772146761 UUZKZWWJTOXBAX-GFCCVEGCSA-N 428.463 0.501 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)nc1C 778422110 UYQHCCZKWUQTKC-UHFFFAOYSA-N 445.480 0.678 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3cccc(C)c3)ccc21 778706919 IEYJYZDBYMVHHL-UHFFFAOYSA-N 440.456 0.695 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)n1 785225100 CPPQQWAFZDYUDS-UHFFFAOYSA-N 435.510 0.621 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)n1 785227731 XESYEJCPMSLZNF-UHFFFAOYSA-N 428.497 0.905 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1Cl 788480076 MGIJKQPSSMXSED-SSDOTTSWSA-N 445.928 0.176 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1 812948564 VJIOMNFNAUPYNS-UHFFFAOYSA-N 439.498 0.045 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 913025790 SBTBJMUNNLLJDN-UHFFFAOYSA-N 433.412 0.645 50 20 ICGD COc1ccccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915886782 DYWKXVQZJZWXMH-UHFFFAOYSA-N 448.501 0.860 50 20 ICGD CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916320417 UHGZUTRBKHXHJX-UHFFFAOYSA-N 443.441 0.852 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)Cc2ccccc2)c1 916635560 SAHGNHZHEROMQQ-UHFFFAOYSA-N 439.515 0.649 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 917132658 VWHSRNJBHIMUFX-UHFFFAOYSA-N 441.513 0.523 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 919820691 WXEUTYTYWFBNPB-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919883372 CLUBFJUBDXHKKN-ZFWWWQNUSA-N 442.925 0.710 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 919961172 VUNJTGKSIMLVIV-SECBINFHSA-N 426.398 0.257 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)NC1CC1 920822471 ROVJRSRECKLWKT-MRXNPFEDSA-N 426.495 0.644 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1n[nH]c2c1CCCC2 1318382503 UEBUOHMZRCDZFO-AWEZNQCLSA-N 425.445 0.874 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1F 1338915627 NCDQOVRKPRBMTC-GFCCVEGCSA-N 428.421 0.044 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnoc2)C1 1778163901 FVGCIOHZLKXZQB-ZNUZEINGSA-N 442.476 0.936 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1778626543 UPUUOIJDZWQNTG-NRFANRHFSA-N 446.483 0.519 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895756 PWPNPWAZQAFSOA-RNCFNFMXSA-N 431.205 0.705 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778897836 MCPJIMGLRQMSNA-SKDRFNHKSA-N 435.168 0.612 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1779028999 QGOFIKYJMYBXIL-BTYIYWSLSA-N 431.493 0.088 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779120697 RGDNRJPXWTVBOX-AUUYWEPGSA-N 426.901 0.950 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781218125 DWORJDXQHCDBQJ-MAUKXSAKSA-N 435.974 0.505 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781866312 DTXJWIDHNIRJLB-IQQYIDFHSA-N 439.896 0.840 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782176040 VOYUTNMPBDASEM-XTDOFWJNSA-N 432.949 0.462 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1783875671 SAISBPJIRPZGLN-SCLBCKFNSA-N 426.857 0.996 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1783876994 DECBRFPHGDRHQD-ACJLOTCBSA-N 433.839 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccccc3)[C@H]2C1 1786343312 YJURHFPDYLXNRK-BZSNNMDCSA-N 430.505 0.222 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nccc2occc12 1787180438 WHQDIXRFIPJCOA-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 1787775904 XDOVHMPDKUHHNF-NXOAAHMSSA-N 438.912 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3CCNC3=N)cc2)CCC1 1788017128 UJHQOMHMBHEDEX-UHFFFAOYSA-N 429.525 0.333 50 20 ICGD CCc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789404165 AEFFSYZBPKWKFN-ZVZYQTTQSA-N 443.334 0.292 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789751499 UJWIYCXJGWIDMC-XQLPTFJDSA-N 433.933 0.479 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1791063904 VZRBQJGRFCAREA-QPSCCSFWSA-N 430.343 0.762 50 20 ICGD N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797748106 IMXHWUKLAUNBIA-UPHUGPLXSA-N 448.483 0.003 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C 1798659290 KOPJMQKUTNJYKY-LVTGYEAHSA-N 427.465 0.055 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1799217995 ROIRWXOHUJHRTD-BTTYYORXSA-N 443.420 0.459 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1799519566 MKYUOHUIVCMFBY-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD O=C(Cc1cccc(F)c1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800663455 DZDHGQVGSJMVPN-VPTLXERWSA-N 444.243 0.091 50 20 ICGD O=C(Cc1cccc(F)c1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800663465 GKEJENGFCPWOBQ-VPTLXERWSA-N 444.243 0.091 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800756847 DSNSMBIQUNKBMU-XPCVCDNBSA-N 429.315 0.516 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1804622367 XUENROCPNZRHOZ-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cocn2)[C@@H]1c1cccnc1 1806016992 IQAMJIGCZUSEJC-KSSFIOAISA-N 435.444 0.702 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362894 XEEJVCAOEGFVAG-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807374005 FWMBZONLZRAYKX-ICSRJNTNSA-N 448.288 1.000 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1808200487 OAFBRFSGNFARDG-QMCVQRASSA-N 437.953 0.714 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1810313113 ZCFHRIXVKUBHNV-YQQAZPJKSA-N 441.985 0.825 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812352672 CXILGCYRBOKEGE-YZVOILCLSA-N 449.895 0.916 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814624196 ULIROWYIDJAORZ-QPDIMOPTSA-N 445.505 0.277 50 20 ICGD CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335501 BACCEVUUUHOATP-DOTOQJQBSA-N 442.350 0.533 50 20 ICGD Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817473099 FRUDYEOQDVUSDU-SFHVURJKSA-N 434.265 0.808 50 20 ICGD Cc1nocc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795805 SAORJSAWCWQQTB-JTQLQIEISA-N 441.473 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821608748 HOTBBHHHNVPDDO-LBPRGKRZSA-N 429.506 0.942 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2nc[nH]n2)[nH]n1 1822416701 LECOBWSLXGLDQL-ZDUSSCGKSA-N 449.541 0.685 50 20 ICGD Nc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cs1 1827054831 MNJZJBFWFYLEMJ-GOSISDBHSA-N 442.350 0.952 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959277 FOEMXTGYEWPFSG-SUNYJGFJSA-N 446.342 0.143 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1830177232 ATBLOVIUBAWFAV-YJBOKZPZSA-N 448.900 0.695 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830443468 HGUXIGHTBHWHTI-KLHJMIIUSA-N 440.924 0.855 50 20 ICGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830732075 QXIQMIXCEAZLJV-FXAWDEMLSA-N 425.913 0.422 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831830311 OWTHXDBRDCFRRT-MOPGFXCFSA-N 436.745 0.854 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832048289 ALKCPTOXENUINZ-LPMFXHHGSA-N 449.907 0.987 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1cccs1 1833030229 QFHKZYPDFOWHLK-YOEHRIQHSA-N 433.889 0.469 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826517 QSKKDUIEUBEMOU-WZHGYECESA-N 427.299 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccc1)CCO2 1834843738 RCCINNNQGKGFHB-QHCPKHFHSA-N 446.548 0.449 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834856510 NZRKZZVUMUANMS-ZFWWWQNUSA-N 425.251 0.087 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1)[C@H](F)Cl 1835081175 MBUSAYXSWAGTGF-KRWDZBQOSA-N 429.880 0.667 50 20 ICGD O=C(COCc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835365279 PUVOMCFDHFQSGE-XLIONFOSSA-N 426.897 0.259 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835834712 GQDQAXQSRXDGHZ-HNNXBMFYSA-N 426.634 0.921 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836896406 RSKPWNJTYYVXES-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839175295 ZYXOAJKHKBGAHK-HXUWFJFHSA-N 442.585 0.804 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198437 DHFSXEHPWDPCEQ-LRDDRELGSA-N 438.294 0.048 50 20 ICGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198765 ATXINLPUSPIBIY-DZGCQCFKSA-N 436.303 0.833 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839432109 BMOVIELABJKOLX-KSSFIOAISA-N 449.287 0.421 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839543238 LOTJGEBDLSWFCB-LAUBAEHRSA-N 448.907 0.954 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662525 RTNLYJLREQGDOD-HNAYVOBHSA-N 426.901 0.107 50 20 ICGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839882560 MGJKVLYDQSALCK-DYVFJYSZSA-N 434.331 0.000 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840033456 FWBUAZDYJNFDQV-TZPTYAJZSA-N 445.358 0.698 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840584672 GRQMZUVWPKCJKM-ZWOKBUDYSA-N 431.961 0.569 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840855482 IVJFXNDLXLKTEX-JTDSTZFVSA-N 433.933 0.001 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)CC2=O)c1 1841349010 ZDSCJUSYAJCRJS-PBHICJAKSA-N 435.908 0.851 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)[C@H](F)Br)C4)cc21 1843999250 URICPHRIIBVIEE-LBPRGKRZSA-N 428.262 0.524 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1844707224 TWOYYFMDMPFWLR-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](C)CBr)no1 1847499487 ZDBJNFSKGVRHDA-BPNCWPANSA-N 427.299 0.946 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1847553512 ILYBHIKKARHMND-DOQMDIEKSA-N 443.504 0.912 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)c1 13346853 YZIOXSCXRAZLPV-UHFFFAOYSA-N 427.460 0.258 50 20 ICGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3ncccn3)cc2)CC1 728133734 CZBBHJNBOZNNBK-UHFFFAOYSA-N 427.509 0.888 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(=O)c1cccs1 728322066 AULPNQGFZNEQAF-CQSZACIVSA-N 433.442 0.351 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3O)cnc21 728504943 ZIJCRELJLULQJZ-UHFFFAOYSA-N 425.810 0.016 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728853854 DOCWWECMOVJJMJ-UHFFFAOYSA-N 449.489 0.255 50 20 ICGD O=C(CN1CCC(=O)NC1=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 732279621 NVHUYJRLPVEIKN-IBGZPJMESA-N 435.484 0.703 50 20 ICGD Cc1ccn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cnc2c1 732324785 HUKWAKWGTFDBBF-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1NS(=O)(=O)C(F)(F)F 732751836 XOMUULPQDZUXNA-QMMMGPOBSA-N 429.398 0.144 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)NNC(=O)C1CC1 733193560 WMBHDDGDUSZTTD-UHFFFAOYSA-N 435.333 0.857 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737515827 MMPBHXGBBYRXDJ-UHFFFAOYSA-N 436.446 0.614 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1C 737766621 KDNSOWSQNOJUJD-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)COc2cc(Br)ccc21 740851562 LNTAVURMNIHTLM-UHFFFAOYSA-N 441.282 0.627 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 743512634 XPNZVSWIFIOWTC-BHIYHBOVSA-N 446.471 0.763 50 20 ICGD Cn1ccnc(NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1=O 747941381 BQAFWJAFBXJQRG-GFCCVEGCSA-N 436.450 0.233 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)NC(=O)NC1=O 748522168 ZOLWEZSIRQQEPC-IBGZPJMESA-N 430.442 0.220 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1C 753965779 HJTMHOCAUJOBNV-UHFFFAOYSA-N 437.522 0.529 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755086172 NOVFPDGUEZVYGW-DSIZOQBWSA-N 428.445 0.212 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756820513 GMOMNJCKIPUFLZ-AWEZNQCLSA-N 439.538 0.425 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763175639 FIGFABUFOXYTCZ-VOLCMEBKSA-N 441.419 0.528 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H]1CCCO1)N(S(C)(=O)=O)CC2 763508337 XZESGCTXGLOEDO-CABCVRRESA-N 441.506 0.279 50 20 ICGD CN1CCN(CCOc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc2)CC1 763557012 SELHBOIAFHDYGX-UHFFFAOYSA-N 443.479 0.852 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 763760427 OJGXSTDOOWTCGU-UHFFFAOYSA-N 427.461 0.863 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C1=S=C2CCCC2=C1 763783403 NPGSDPDRGZIUHU-UHFFFAOYSA-N 439.490 0.658 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)n1 763892931 NRIOPPXDHZSFBV-MUUNZHRXSA-N 425.898 0.818 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)n1 763893521 WNAIVKCCHHKCIZ-UHFFFAOYSA-N 448.505 0.069 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Cn2cncn2)cc1 764352074 ZHWFOYFZURPCBM-UHFFFAOYSA-N 430.428 0.912 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 764564438 SWIGJBDSTIBTGN-CHWSQXEVSA-N 434.449 0.979 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(C(F)(F)F)ccc2F)n(C)c1=O 764819781 VSHVMURNJNSGBS-UHFFFAOYSA-N 426.330 0.742 50 20 ICGD CCS(=O)(=O)CC(C)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764820365 XAENUDKRHDLLHR-UHFFFAOYSA-N 444.579 0.228 50 20 ICGD Cn1c(NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc2c1=O 765537189 AWQOOMDVTVTBSB-UHFFFAOYSA-N 435.488 0.901 50 20 ICGD Cc1ccnc2nc(C(=O)NNC(=O)CN3CCN(Cc4ccccc4Cl)CC3)nn12 765753238 BTMDVICQBOKQPW-UHFFFAOYSA-N 442.911 0.665 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1F 770774542 PXPKFBCSSXRRSP-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196659 MJMGRRKTEMYBJF-UHFFFAOYSA-N 430.848 0.919 50 20 ICGD COCCCOc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 775257614 PYAMBQFTOWNNLR-LLVKDONJSA-N 440.927 0.500 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c2ccccc2c1=O 775710205 ZTQNYPSZLZKIOI-HNNXBMFYSA-N 449.427 0.151 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 776541469 YLVSRFNHNYAFJJ-FQEVSTJZSA-N 428.470 0.927 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCOC[C@@H]2OCCOC)nc1 777275193 OGEIOMBIXVAMFY-HOTGVXAUSA-N 445.542 0.559 50 20 ICGD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 780947246 UJWRKZKKQJPMIO-ZDUSSCGKSA-N 426.543 0.111 50 20 ICGD C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)C[C@@H](C)O1 783427795 QGAOSEKROBYCLU-STXHMFSFSA-N 438.550 0.432 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 784003421 WQBPBGUZOBPERU-WJOKGBTCSA-N 442.497 0.703 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 784916804 CRNOQQVKWDJDEK-UHFFFAOYSA-N 425.511 0.738 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCc2ccccc21 788143001 IPHRYKYRYYNVEK-IFXJQAMLSA-N 425.441 0.968 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NOC[C@H]1CCOC1 788329669 YOHBVMCLVRFUMJ-AWEZNQCLSA-N 426.495 0.773 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)nn1 790656698 PGOXUVDEPCSZAS-UHFFFAOYSA-N 428.405 0.881 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 790951408 DGVVOMOKIJLJJB-GFCCVEGCSA-N 433.490 0.898 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 790952864 RYQQJOZGFPPHQG-UHFFFAOYSA-N 427.255 0.417 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)n1 796541104 MUWANVNHYAUIQG-GJZGRUSLSA-N 439.538 0.511 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc(Br)cc1[N+](=O)[O-] 797537449 NHHUEZMFNAMTTL-UHFFFAOYSA-N 442.226 0.374 50 20 ICGD COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1 801600266 FIMOFZWCEACNCL-TXPWEPMLSA-N 435.477 0.648 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 803936640 MBHBWDLRSMXOAT-UHFFFAOYSA-N 447.517 0.596 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NN(C)C(=O)OC)CC2=O)cc1 804125407 LBTYOIZMBNLFQI-ZDUSSCGKSA-N 426.495 0.799 50 20 ICGD Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 809982694 MLDYOSYNLHQHKP-UHFFFAOYSA-N 439.803 0.972 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810395447 JYNYWWBGVBJKNM-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)c2)CCN1 812979446 UIGZXGJYLZSBIM-UHFFFAOYSA-N 445.863 0.377 50 20 ICGD CC(C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 813421304 SHFFGZDDIXJERW-LLVKDONJSA-N 437.927 0.410 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 815751965 WNAFEVPQQZXXJM-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 914751723 NKLNRSAPXJJYHL-UHFFFAOYSA-N 443.489 0.671 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 916604291 FOSNLELHPOPKAJ-MRXNPFEDSA-N 434.522 0.757 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)NC2CCCCC2)c1 917908614 DGMBJVIFVBAGQD-UHFFFAOYSA-N 425.511 0.330 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)nc2ccccc21 921302214 VELUNITZBGARQE-ZUEVXXBESA-N 430.534 0.989 50 20 ICGD COc1cc(F)cc(F)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 1318609461 OQEQELOSPVWBEF-UHFFFAOYSA-N 434.446 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778570610 GPVOYHYMIZNKMS-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779777115 OUUCIVDZHDPLJT-XAOCGEIJSA-N 439.476 0.363 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779956169 UEFTYHSXUMJOFP-XIKOKIGWSA-N 440.909 0.453 50 20 ICGD CC(C)(C)n1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)nn1 1780189597 MXDIPOVIAIHIKJ-SPYBWZPUSA-N 427.933 0.760 50 20 ICGD CN(C)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780641478 PKJGLXRQFZZETO-QHCPKHFHSA-N 437.305 0.190 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780956575 ZIFJEEQEDGZYLD-UWJYYQICSA-N 436.940 0.728 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1N(C)C 1781125177 IUAKSVLVYVEADL-UZLBHIALSA-N 425.913 0.804 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213346 LVSDZAVLMJONQU-XMSQKQJNSA-N 448.568 0.456 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc2c[nH]nc12 1782261726 HSSXWXCDUYXOPS-QFIPXVFZSA-N 442.520 0.688 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782674086 ZPCKFNDYTPJKPH-MDOVXXIYSA-N 438.912 0.284 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791060265 AHLJSXRRPMKYQJ-NRKLIOEPSA-N 445.402 0.385 50 20 ICGD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc2c[nH]c3nccc-3c21 1792980450 IXYJXFKPELGQIA-DLTLXFJOSA-N 445.907 0.809 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)C1 1793115719 UAVPEFQYJXHEFH-UKRFAEJPSA-N 445.944 0.452 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784510 RTEWVLJFRADSAQ-OHTBPHCPSA-N 429.315 0.215 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794078950 IEQDLBBPDXHDFB-KAOXLYBCSA-N 447.344 0.675 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1ccc(N2CCOCC2)cn1 1794441845 NJALIKBDGBTYGF-DLTLXFJOSA-N 426.876 0.656 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1795115255 SOOMODUIMJBUHJ-WRBXQSRGSA-N 429.267 0.792 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1F)C2)c1cccc(B(O)O)c1 1795739709 DZAUIZWVIMQOQM-USGNIVHTSA-N 444.243 0.091 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)OC(C)(C)C 1795767486 JEJBBKCAZXKNIY-MUJYYYPQSA-N 439.557 0.865 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2 1796440261 JWIDYSFDHXYLND-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nc2ccccn12 1796847719 CLBKCYFMZGTSBO-VPTLXERWSA-N 442.520 0.219 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1800975046 GWPSUVPPPRQJKF-HLPPOEQASA-N 433.933 0.697 50 20 ICGD COc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008837 DNNHYWXIKWHPIE-MFKICJERSA-N 448.520 0.037 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1)[C@H](F)Br 1808675862 HNKQLKKNRMRJSS-YTFOTSKYSA-N 429.290 0.501 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CC1(F)F 1809526157 YHUGTKQVNVNKTE-CGTJXYLNSA-N 429.232 0.736 50 20 ICGD COC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815308504 OQZNBKBUSFMUMA-MLGOLLRUSA-N 429.481 0.997 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1 1819401853 VOBFCZSLZUKRDS-AWEZNQCLSA-N 441.477 0.879 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)NC=O)n[nH]1 1820874278 AUMDEXQDWZTEAA-NGLVEMMDSA-N 442.480 0.670 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416283 ZRLYPEGSUFGYEM-DHMKHTPVSA-N 440.570 0.934 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830538799 QMHBJSCOBOPALF-CXAGYDPISA-N 429.315 0.440 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726440 YQQUVTACUXBANM-YVEFUNNKSA-N 434.276 0.110 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c12 1830737059 ZRKJGWWGXMVIFZ-OXQOHEQNSA-N 436.896 0.312 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869671 LTPKDLLSWLHYTK-QIBOZCLASA-N 447.580 0.838 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827623 HCYPLSOUSGCSPL-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798178 ZIGOFWQYVJLHSK-FGZHOGPDSA-N 439.365 0.598 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835653159 JGVUCUZRSBVDPH-QGZVFWFLSA-N 432.619 0.311 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2n1 1836263691 KYIMQYWDOXNBLW-YWZLYKJASA-N 437.880 0.806 50 20 ICGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837200783 RICLJVQHXXBZRF-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1837708550 KXHWGJGFABNGCJ-LJQANCHMSA-N 445.658 0.343 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1838945030 RYOGUSZNUOZAHK-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1840151152 WUVLQXDSWMZQNF-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1 1840151696 LJDYELRISBZSCN-UZLBHIALSA-N 425.913 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840152985 AISJZQDXDBDUBV-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=S)Nc2cccc(Cl)c2)n(C)c1=O 16229031 RJDOIQNKGOBBAY-UHFFFAOYSA-N 435.897 0.495 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 725905718 AALUNPNADPYVFX-LBPRGKRZSA-N 437.474 0.840 50 20 ICGD Cn1c(S)nc2cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc2c1=O 734239156 ILMAYHANCAKCLP-UHFFFAOYSA-N 436.494 0.691 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)nc1 734282418 VUXIHETUDCGQRB-OAHLLOKOSA-N 439.586 0.563 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 744602525 SMRRFBNMDZUKOD-UHFFFAOYSA-N 433.486 0.705 50 20 ICGD O=C(Cn1c(=O)cnc2ccccc21)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619134 JCVFNWPOCDVOPO-UHFFFAOYSA-N 443.485 0.561 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2Cc2ccccn2)c1 746093956 OXUSPXKCJYGMBW-SFHVURJKSA-N 431.518 0.758 50 20 ICGD CCCCNC(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 747852986 HGGGBFUPIHGIOB-CQSZACIVSA-N 438.554 0.962 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCCN2C2CCCC2)CC1 749242064 QGFXJVKUGSJNBB-QGZVFWFLSA-N 436.582 0.868 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 751261163 SMSWQUZUJPVSLN-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 753839712 CSKDMYMEFRVXJG-UHFFFAOYSA-N 448.363 0.994 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)o1 754017917 OCDMGAJLKBXJFW-UHFFFAOYSA-N 432.252 0.872 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(F)cc1Br 755199284 PXIJGRSKTSTXRY-QMMMGPOBSA-N 448.274 0.450 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC[C@H]1c1ccc(C)o1 758041088 WIJABBXZSIBWQH-AGIUHOORSA-N 430.483 0.335 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1cc(Br)ccc1O)N1CCCS1(=O)=O 758296680 FIXSJGIDHSIBRS-ZDUSSCGKSA-N 434.312 0.976 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n1 760276208 ACYSKAZGVHUOJZ-CYBMUJFWSA-N 441.423 0.972 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1C 760515769 ONYNOMSZDZQJNK-UHFFFAOYSA-N 442.881 0.481 50 20 ICGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1ccc(Cl)cc1 762390033 DXPGNZNNSGPVEE-UHFFFAOYSA-N 438.849 0.142 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 763010681 UVQQRVXHBWCBBI-LLVKDONJSA-N 444.516 0.140 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763871424 FPBBWWKFJNJUHL-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 763872549 OFUWEJJDROTVAJ-LLVKDONJSA-N 430.392 0.681 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763921890 RRVTYCDBVMRUNF-UHFFFAOYSA-N 436.432 0.202 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cccc(Br)c1 764058453 IMNNIQGLAZERGM-UHFFFAOYSA-N 438.238 0.759 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 764131254 JGHTXYQKJXZKKY-UHFFFAOYSA-N 439.432 0.398 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 764318842 GUZJPAXTEJTCDJ-UHFFFAOYSA-N 438.419 0.747 50 20 ICGD Cc1ccc(F)cc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117980 HRMDMHPKVKJBSP-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c(=O)n1C 765345180 PYASAAJBBWCZDA-UHFFFAOYSA-N 446.302 0.925 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c1 769744090 KATYCODGINSIBA-UHFFFAOYSA-N 429.252 0.575 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)ccc21 778710264 RLDJTYSWELCASV-UHFFFAOYSA-N 446.847 0.981 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3cccc(O)c3)n[nH]2)cc1OC 779041024 MUYARVKEZNZKQP-UHFFFAOYSA-N 439.428 0.991 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 779376311 DHYAMUPHNGWPQG-NSHDSACASA-N 426.886 0.926 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccn(CC(F)F)n1 784213527 OMUAVJMEZNOLIO-UHFFFAOYSA-N 428.421 0.671 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cccc(Br)c1 786417649 VEUDVWZXOHDDDQ-UHFFFAOYSA-N 438.238 0.759 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 794576462 GYNWGTYOYKLURW-UHFFFAOYSA-N 428.448 0.435 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CC(=O)N2CCCC[C@@H]12 799467192 GQCAFYOBZUJHCY-IBGZPJMESA-N 448.545 0.897 50 20 ICGD O=C(NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc(Cl)cc1 802016986 UEUJIGKBKIHRPV-GFCCVEGCSA-N 427.870 0.658 50 20 ICGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccnc1 803203359 GPRSCNFTWQSJOC-UHFFFAOYSA-N 446.471 0.799 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803967281 DMLHYFBLTHERSI-GFCCVEGCSA-N 449.526 0.290 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1F 806975741 MWUNARDUDXWVDI-UHFFFAOYSA-N 440.428 0.544 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccc2OC)cc1 810194318 SONOKHFZUCZVFK-UHFFFAOYSA-N 449.485 0.540 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 810345246 DTSCEPPCRABEEN-KWCYVHTRSA-N 432.543 0.355 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 813033192 JBNZHTDHOMEXHH-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2-n2cncn2)cc1 813033876 PEBVOOOJUZWFPW-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c2ccccc2c1=O 814215502 QOHVBTCEYWVQLL-FICVDOATSA-N 427.461 0.807 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1cc(C(=O)OC)ccc1Br 818762483 AWJJLOVGVVEILA-UHFFFAOYSA-N 438.300 0.635 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 825164109 FWZNTRQZBKNIPJ-GOSISDBHSA-N 425.486 0.467 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 857431887 SIWKOWHZEWUBPX-UHFFFAOYSA-N 430.446 0.706 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O 915896555 FPASUNBGJRXQQV-UHFFFAOYSA-N 442.520 0.913 50 20 ICGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916092749 DMRQPRCCOMKTHF-DLBZAZTESA-N 425.507 0.213 50 20 ICGD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 917294713 SLYVFKJKRJLNRP-QGZVFWFLSA-N 445.403 0.015 50 20 ICGD Cn1ncc2cc(S(=O)(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cnc21 1116682736 HHGQVRDTTPZREC-UHFFFAOYSA-N 438.510 0.925 50 20 ICGD CN1C(=O)C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 1318799687 TYDHUQADEWJQRI-KBXCAEBGSA-N 439.424 0.667 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCCS1(=O)=O 1324701671 JROUPDWBSMZFDQ-HNNXBMFYSA-N 446.570 0.841 50 20 ICGD Cc1c(NC(=O)[C@H](C)SCC(=O)N2CC[C@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1329216220 VBSXTTIFYXFIRE-GJZGRUSLSA-N 446.338 0.620 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H](F)Cl 1778029506 NLBLFBKTISSHMM-QIIPPGSGSA-N 444.847 0.805 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c12 1782471680 FJNJGHLUNHZNLK-QHCPKHFHSA-N 448.288 0.308 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c12 1782517757 QQAWUJFSMLGWHB-HSZRJFAPSA-N 448.288 0.080 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783571202 BOOLAQDZLKUGPI-STXHMFSFSA-N 445.944 0.816 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785650335 WUFQJNHJPPLMMP-RUZDIDTESA-N 448.328 0.615 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc1C 1786984420 FRWGJDKJXVYODN-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]4C3)cc2C1 1787449106 BVKXPKFEAXJLQU-ZFZWDLNGSA-N 427.908 0.846 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1789641324 JUCIONRMJDQPOU-OAHLLOKOSA-N 435.289 0.805 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)N1CCN(C)CC1 1789798847 RQAVDPCLMHGGSF-QZWWFDLISA-N 445.402 0.387 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccns1)C2 1796440942 FIOVVWDSXXKOEI-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796760179 MNAOSRGGGFNUFP-ARXWPJIVSA-N 431.497 0.206 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(F)Cl 1801089254 SIDOMYGTMBWEIY-MVWNIOMWSA-N 439.875 0.635 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)C1 1802339624 CJTUOFWLSVINRK-MDMSPXHWSA-N 436.553 0.977 50 20 ICGD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802557283 OVLKAVKZOZTOAW-KNQAVFIVSA-N 436.321 0.177 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803232076 JQTATIXBVFASBR-HOJAQTOUSA-N 425.294 0.098 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376317 YDZUXOMDCAHAJE-ASOQJVPHSA-N 445.288 0.518 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814873634 SQGZFJKGLYEXNP-TUKIKUTGSA-N 449.899 0.610 50 20 ICGD N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819795561 OJGMXDNYULPCLF-SNVBAGLBSA-N 425.474 0.671 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830374864 NERJMWKHQRHWBC-YDHLFZDLSA-N 435.338 0.889 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830540593 QQTULMALQIBJBG-LBTNJELSSA-N 446.342 0.165 50 20 ICGD CN(C)c1cncc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1 1833930429 VGEBHCPKQYJJAS-IBGZPJMESA-N 437.972 0.933 50 20 ICGD C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1834800427 GUJABWPOBGHLGB-UHFFFAOYSA-N 425.338 0.518 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064768 BFXZKGZHQHJGHG-SUMWQHHRSA-N 429.315 0.202 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837268547 DZEIAHWSYZJQQV-SCLBCKFNSA-N 428.921 0.183 50 20 ICGD Cn1cncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837511959 QIGXGNIVAMKUBZ-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD O=C(c1cc(=O)cco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197844 JVFAFQMAOGHEGM-BBRMVZONSA-N 433.230 0.400 50 20 ICGD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839635495 VZODWCIJPOPELA-ZWOKBUDYSA-N 438.887 0.743 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839666860 JMELHONIIYSXES-OHNRDTAOSA-N 442.875 0.191 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839963493 MEABYJCJWKCIAD-GUYCJALGSA-N 429.315 0.664 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840031186 IDDXOMXZOZSQTH-SJCJKPOMSA-N 429.267 0.702 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840034463 MGAHTCLYFWEKDW-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840149120 DWDUAMPWGWECAO-YLJYHZDGSA-N 442.896 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840152780 STDQDKWOASMOEB-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840154014 IADGVEMXQJVTIC-IFXJQAMLSA-N 443.932 0.357 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840155093 POHNIZIETIGVIF-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840156859 WPDGZEBDEXMONB-IFXJQAMLSA-N 434.917 0.286 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012890 QOFKHVGNUOTZAA-FNORWQNLSA-N 425.206 0.398 50 20 ICGD C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(O)n1 1843013634 RQDDWLMDUILFCR-UHFFFAOYSA-N 435.289 0.716 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1846005062 SOLJVFQWKVDKTA-LBPRGKRZSA-N 432.433 0.862 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2)=NO1 1847761793 FFVLIXHTBUPIHO-PCCBWWKXSA-N 433.273 0.375 50 20 ICGD O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931231 FMDFSJVBFCJNNV-JTQLQIEISA-N 429.911 0.843 50 20 ICGD Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15525156 FAURPKAODZSJOQ-UHFFFAOYSA-N 433.486 0.856 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(C)C)c1 726098205 YFPHLRIBSSPYKW-UHFFFAOYSA-N 426.539 0.971 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)c1 728744977 RWAMCYSLOZOISX-UHFFFAOYSA-N 442.314 0.566 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)c1 734486038 YRBDHSGMMYWNLE-UHFFFAOYSA-N 444.513 0.309 50 20 ICGD O=C(CN1CCN(Cc2nc(O)c3ccccc3n2)CC1)NNC(=O)c1cccs1 738298838 IGFCIZXDRNSOLU-UHFFFAOYSA-N 426.502 0.976 50 20 ICGD O=C(COC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1cccc([N+](=O)[O-])c1 741385635 SOFGEZANDPZOJE-SFHVURJKSA-N 442.428 0.800 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 744460885 NBQAJFYQLZWSRY-UHFFFAOYSA-N 434.408 0.939 50 20 ICGD Nc1ccccc1-n1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 745060996 TVLYXYJMRGZXGW-GOSISDBHSA-N 437.412 0.599 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 746093405 FUVFMGCSTPJIDX-HUUCEWRRSA-N 425.507 0.742 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 746093408 FUVFMGCSTPJIDX-LSDHHAIUSA-N 425.507 0.742 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc[nH]2)CC1 747661860 CYJWEAOCPGWESC-UHFFFAOYSA-N 434.474 0.663 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 748633238 RJDJGZWMSMLOAY-HNNXBMFYSA-N 442.538 0.363 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749222419 XRTMWHIMXUYMJL-UHFFFAOYSA-N 429.452 0.884 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750662045 WSNAQVFEROHHDC-UHFFFAOYSA-N 425.467 0.066 50 20 ICGD O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCN(S(=O)(=O)CBr)CC1 755894922 WOKPAAQDFKGQTF-ZDUSSCGKSA-N 434.312 0.689 50 20 ICGD C[C@]1(c2cccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c2)NC(=O)NC1=O 756222121 AAXVUXBPBISNSZ-OAQYLSRUSA-N 435.396 0.231 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 756840722 YSNSUQAOVLXVHE-KBPBESRZSA-N 430.465 0.994 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1coc(-c2ccc(Br)cc2F)n1 758047182 VYNWGNDSFHBYHU-ZETCQYMHSA-N 449.258 0.942 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1N1CCCC1=O 763550817 HEGOVLOXIHYCNU-UHFFFAOYSA-N 440.412 0.950 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)ccc1C 763643386 FQWJERDZHIAMCB-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763681732 MRWQVVGAJIAAKX-UHFFFAOYSA-N 434.412 0.923 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)c2ccccc2c1=O 763786409 NMYLDVFOGCRTAJ-CYBMUJFWSA-N 435.440 0.992 50 20 ICGD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001053 ZPIPLGOMOUQXEB-GJZGRUSLSA-N 436.534 0.894 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764263352 DTXQGZBHKHZKCG-UHFFFAOYSA-N 433.490 0.489 50 20 ICGD O=C(NNC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1CN1CCNC1=O 764349137 JYFOICGBULHKTL-UHFFFAOYSA-N 431.836 0.971 50 20 ICGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1OC 764362353 DVVGYZINGVJYDN-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764427968 GTGGAQFFMTVLBW-QGZVFWFLSA-N 447.492 0.002 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc1 765753108 AZXQYJIOSQMOJW-UHFFFAOYSA-N 448.531 0.478 50 20 ICGD CCCCCCn1cc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)c(O)nc1=O 769627825 YEAIPGANXSKAIQ-UHFFFAOYSA-N 440.478 0.867 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCCn3nc4n(c3=O)CCCC4)nc21 770350805 PHRQVEWREBFTQZ-UHFFFAOYSA-N 444.500 0.698 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1=O 770403226 SVZOALJMLNOERG-APBUJDDRSA-N 445.484 0.634 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186116 NDRXXQYQFKLRPW-BXUZGUMPSA-N 449.913 0.104 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 772999135 RXEDXCVUYBJQFQ-GHMZBOCLSA-N 429.886 0.355 50 20 ICGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 773068798 JPNAEWUIEILMIE-KRWDZBQOSA-N 435.956 0.864 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 778291517 GKJGXWSKXRDRTD-UHFFFAOYSA-N 437.869 0.290 50 20 ICGD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCN(S(=O)(=O)CBr)CC1 778973014 NJDPMKNHPNOBDA-UHFFFAOYSA-N 436.240 0.764 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc1 779577725 GIVXOAQRHOODHK-PJSAGSTRSA-N 428.445 0.971 50 20 ICGD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 780947243 UJWRKZKKQJPMIO-CYBMUJFWSA-N 426.543 0.111 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncncc1Cl 781824314 CZCTWARTDWQMOO-CYBMUJFWSA-N 447.926 0.355 50 20 ICGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c2C1 782684835 BYZQRADLJYQSPY-UHFFFAOYSA-N 443.464 0.289 50 20 ICGD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003483 GZGSBTZXHNRGNY-UHFFFAOYSA-N 445.501 0.792 50 20 ICGD O=C(NNc1ccc(Cl)nc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784870477 UGOJOXIBTYGZDS-UHFFFAOYSA-N 446.895 0.879 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)cn1 785129536 PIRFSPXNKOQPBG-UHFFFAOYSA-N 425.449 0.936 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 792809857 DGXGWDPRZZRNIB-UHFFFAOYSA-N 443.485 0.188 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 800053615 INDOMZFUDZDSPX-QWHCGFSZSA-N 435.547 0.340 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccn3)ccc2F)CC1 801101703 KJVOECDLGMVYIJ-UHFFFAOYSA-N 449.464 0.148 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806977237 AOFOBSUJAVUHIP-KRWDZBQOSA-N 441.419 0.835 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2ncncc2F)o1 817078621 MYDCOEBIALQXQV-NSHDSACASA-N 427.414 0.682 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ncncc1F 817082368 UNIYKQJIRDWFMI-ZDUSSCGKSA-N 429.861 0.946 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914881229 CJJZPIBWGSXJFZ-GXTWGEPZSA-N 443.522 0.491 50 20 ICGD Cc1ccc(C)c(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 914881325 BOKXIHCFMOJHLB-UHFFFAOYSA-N 449.514 0.877 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1 916134217 HBQHEIQMZFNFIR-UHFFFAOYSA-N 427.490 0.873 50 20 ICGD CC(C)(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 917182362 CGPYGHKTOOJALR-WVUXNXBLSA-N 445.563 0.574 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)c2ccccc2c1=O 918690591 IRXNKOFYOXEYQF-AWEZNQCLSA-N 439.476 0.484 50 20 ICGD COc1ccccc1C(=O)NNC(=O)/C=C(/C)C(=O)NNC(=O)c1ccccc1OC 1348618527 CGFRZQRQQLNHTB-SEYXRHQNSA-N 426.429 0.872 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cc1 1358156381 BBVFIDIACSVGSU-CYBMUJFWSA-N 435.506 0.878 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779275608 VVUAACOLWATFRD-UEKVPHQBSA-N 430.807 0.206 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1779371367 SSKQYKVAYCERNB-XMSQKQJNSA-N 425.489 0.226 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779446062 LYNPJLNOYTXTKZ-FQEVSTJZSA-N 447.659 0.311 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781543017 DSBYTRBYIYAMCX-FZKQIMNGSA-N 427.841 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1783936132 DLZSBLBZYXYNHX-HYBUGGRVSA-N 442.560 0.994 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508709 PMVWLSILWJPXPD-GHCQRAGLSA-N 431.493 0.650 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791294019 YYABUZLOOKGTPY-XWSJACJDSA-N 439.601 0.317 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792130550 OKRLBMJOPUMFMU-JONQDZQNSA-N 440.928 0.645 50 20 ICGD C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792494703 KDPHZRAKYKYWFU-JLVBRIDZSA-N 429.521 0.881 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(=O)c1ccccc1 1793429323 HCMINTFOMPZUBT-WKCHPHFGSA-N 449.316 0.390 50 20 ICGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1794118211 HHALPPLFJRHWIF-RDBQEKCUSA-N 448.314 0.758 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794375633 XPJDRILSNHWCQA-YVECIDJPSA-N 427.299 0.862 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2c(c1)OCCO2 1796191006 NSVRBAUFRIXAES-REPLKXPHSA-N 436.273 0.703 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796420837 SFNZHLHQPPASHX-LKQDWFRTSA-N 428.873 0.155 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1796440952 GHAWWPYRNPQBLQ-CUCMZJRUSA-N 447.495 0.762 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(F)Cl 1801089255 SIDOMYGTMBWEIY-VDMNMRGESA-N 439.875 0.635 50 20 ICGD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805800249 JCJBXQGQZOVIKK-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363693 FGILYCJNVDLGCE-WIYYLYMNSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946786 CZSGYEMMMDZXEK-ZLKJLUDKSA-N 434.819 0.062 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968709 BIUOUUGHSNXAMS-GOSISDBHSA-N 438.337 0.744 50 20 ICGD COCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1815190348 XUAHWVASLCKCOY-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD Cc1nccn1CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348002 AWILPBRMBCRUGV-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1O)CC2)c1cccc(B(O)O)c1 1815361130 YQJYNHMEYQXNLC-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD O=C(CNC(=O)c1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815782497 JWZBVLKPUQRDPQ-GJZGRUSLSA-N 434.884 0.827 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817152654 VGFPXTKICYBXCL-MRXNPFEDSA-N 435.529 0.107 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816297 DAGTVPFEGGKGRY-SKDRFNHKSA-N 433.860 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2CCOC2=O)n[nH]1 1818849301 DBZVZAANBXBHMB-OAHLLOKOSA-N 449.512 0.617 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cn[nH]c1)CC2 1819796943 IYFTYLZLIJZEHB-SNVBAGLBSA-N 426.462 0.404 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(CO)on1 1820346617 DFWLJPPTWWFCSX-QGZVFWFLSA-N 439.237 0.190 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)[nH]n1 1822412758 SIXDEVVIXMENER-UKRRQHHQSA-N 433.513 0.301 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)no1 1825182195 XKBWTOQBOPELPY-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825636080 QZVUBYROUVCMDM-JGVFFNPUSA-N 444.311 0.390 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830629735 FVRIAQVLMNTWPS-BFQNTYOBSA-N 425.295 0.540 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724957 KHCSNHHJIFGDDZ-IFXJQAMLSA-N 428.938 0.907 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)c1 1830732040 PLZDQUKERLXPPT-QFBILLFUSA-N 428.869 0.071 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752846 YQUUCLXXADSQBV-FRQCXROJSA-N 446.386 0.958 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831640588 NXCLNZPQWSCXNB-OXQOHEQNSA-N 425.913 0.863 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1833264314 CQHVQBFJTZTXBQ-ZDUSSCGKSA-N 431.375 0.855 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1833264672 NNZUZZREJDZFTP-CQSZACIVSA-N 441.374 0.881 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)cc3)CC2)CC1)[C@@H](O)CCl 1833305998 IQCJCKHHAFGVHM-IBGZPJMESA-N 439.940 0.942 50 20 ICGD CC/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800649 VJYDHVSSRJVDPQ-HAVNEIBRSA-N 427.354 0.908 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836411883 BQZUEXNSWTWLPM-LIRRHRJNSA-N 439.852 0.604 50 20 ICGD O=C(CN1CCCCC1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719593 ZVSVIJMROWGNQC-KRWDZBQOSA-N 429.945 0.597 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1837518914 DKZDJDUNSIERRJ-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839144909 OEBMMWHCBXKOEL-DNVCBOLYSA-N 428.917 0.617 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032252 SKBLOLULNDKDRL-QLJPJBMISA-N 431.287 0.419 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010492 VNHLECNZLPNCID-GOSISDBHSA-N 436.273 0.414 50 20 ICGD CNCCCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038719 LJRKZTSSQUJHIM-UHFFFAOYSA-N 430.553 0.536 50 20 ICGD C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889693 WBGNNTURRSTWFF-ZDUSSCGKSA-N 442.497 0.866 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)cc1 23110294 AVSAKKSVKVDAQA-UHFFFAOYSA-N 430.490 0.736 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COc1ccccc1 28604865 HEATUSFZEGVHLE-UHFFFAOYSA-N 447.513 0.867 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 726379927 WCCONRQUPHBYNP-LBPRGKRZSA-N 447.455 0.872 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1=O 728951487 JOYJTFGBWZLVNC-SFHVURJKSA-N 437.504 0.825 50 20 ICGD O=C(NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)N[C@@H]1CCS(=O)(=O)C1 739705019 CQOJMYKLWYCCBU-SNVBAGLBSA-N 432.384 0.417 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 742038297 RPKSVKQNPMUDNQ-CYBMUJFWSA-N 439.563 0.952 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 744383052 GMFDRPNSOAKPBV-ZDUSSCGKSA-N 444.579 0.005 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 744446982 RAIGJWCHYWEZJR-OAQYLSRUSA-N 425.445 0.279 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(NS(C)(=O)=O)c1OC 746641599 PVRDHOQYBOSPNN-UHFFFAOYSA-N 447.473 0.727 50 20 ICGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 747600055 DTHZIOISJBUYEP-MRVPVSSYSA-N 427.298 0.202 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 750631968 ULLXJBIZBRMMIS-UHFFFAOYSA-N 436.468 0.847 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750659489 GYIJUENRVYJVHG-UHFFFAOYSA-N 425.467 0.120 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 751203313 LMFKJDMDVQIZEQ-MRXNPFEDSA-N 442.472 0.865 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)C(=O)Nc1ccccn1 752688084 FBRBSHLHKIYPFD-UHFFFAOYSA-N 446.898 0.044 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 755535644 YAEBCQPEQWEIIU-JTQLQIEISA-N 442.523 0.223 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 758050226 AAJWCAGULBRLPH-WPRPVWTQSA-N 437.305 0.431 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(NS(=O)(=O)c2cccs2)cc1O 758293501 ZROWWYMDGNGWHO-ZDUSSCGKSA-N 427.460 0.431 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 758840963 VAJMLEVUJBWRIB-XQQFMLRXSA-N 433.490 0.074 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(OCC(F)F)c1 759607055 DUSSULRZJSNLKW-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 760439392 FDHBGQOUSVTWOH-UHFFFAOYSA-N 439.494 0.177 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1=O 760439924 UDBDBXNFCZOLNN-UHFFFAOYSA-N 433.465 0.245 50 20 ICGD Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NNC(=O)C(=O)N3CCCC3)cs2)c1 760862325 YJRHVIMCMMOWFU-UHFFFAOYSA-N 431.474 0.722 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763674946 QNRHRPZKFDZXFY-UHFFFAOYSA-N 444.469 0.905 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763803715 NBGQUIXSCYPCBF-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c(OC)n1 764004829 OEMODTSVGZHMLQ-UHFFFAOYSA-N 426.227 0.600 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764139737 ZFJDOPIRNCOGIE-UHFFFAOYSA-N 439.428 0.076 50 20 ICGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1F 764260254 NLPNFKHIVQYNTF-UHFFFAOYSA-N 434.403 0.766 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 764281109 YLQCHFMHAZGETB-KRWDZBQOSA-N 442.428 0.675 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccc(Cl)c1 764345889 ZWWYSDAQQQFSPQ-MAUKXSAKSA-N 429.864 0.832 50 20 ICGD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 764873520 COPVFIBTHCLRPZ-SNVBAGLBSA-N 432.480 0.464 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccnc3C)CC2)cc1 766635639 BIYDOVYYDVYXIP-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652573 NVWZNVSHKUPDTQ-LJQANCHMSA-N 443.548 0.773 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3ncnc4ccsc34)CC2=O)c1 766675625 POHBXGHPHOJIGB-SNVBAGLBSA-N 432.487 0.835 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 767388945 QLVYWOLXIGIMFA-UHFFFAOYSA-N 436.490 0.557 50 20 ICGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 767403502 MNEAOLPXZSREEX-HNNXBMFYSA-N 436.534 0.881 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1)NC(=O)CC2 768234301 RZANSEIKKYKSLB-UHFFFAOYSA-N 442.428 0.997 50 20 ICGD CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982300 GAFVDSCWNSKFAT-DGCLKSJQSA-N 448.528 0.738 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 771827745 VRFKMILMSKRBLC-FQEVSTJZSA-N 428.449 0.336 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 771942933 YPLCHOMRLPZREI-JSGCOSHPSA-N 427.479 0.247 50 20 ICGD Cc1sc2ncc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n2c1C 775951372 LCPQNSSZPZPNDS-UHFFFAOYSA-N 445.413 0.899 50 20 ICGD COc1c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cccc1C(N)=O 784210264 KYSZOEPORYKCQM-UHFFFAOYSA-N 447.473 0.317 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 789732127 QEZQDZOWBTZDMY-MRXNPFEDSA-N 444.513 0.844 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 792238728 WUUUHWLDEFQLSN-UHFFFAOYSA-N 428.942 0.182 50 20 ICGD O=C(NN=Cc1c(Br)n[nH]c1Br)N[C@@H]1CCS(=O)(=O)C1 792986365 MHGBIGPUEHNVOA-RXMQYKEDSA-N 429.094 0.755 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 794717763 RGXJNYVQLPTQMS-FQEVSTJZSA-N 445.501 0.847 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(C)c1 796989498 FRMMBPPQAZFBHS-UHFFFAOYSA-N 432.408 0.424 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1F 797368842 HXBDKJALORYEKL-UHFFFAOYSA-N 445.407 0.796 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1=O 798308550 CUBPICAIPFWIBT-SJLPKXTDSA-N 429.521 0.722 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 805061146 NAVUJAOWTFWDSM-UHFFFAOYSA-N 427.346 0.136 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 806980676 UMJAHUZDKYZOBR-SSDOTTSWSA-N 441.160 0.364 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)ccc1OCCC(C)C 812692977 IXDJKIYWAJPAOR-UHFFFAOYSA-N 430.527 0.956 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCCc3cccs3)c2)CCN1 812980091 KETYWCHFALMRIJ-UHFFFAOYSA-N 443.529 0.789 50 20 ICGD COCC1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCOCC1 813773451 VHNOOKRQTOJXMG-UHFFFAOYSA-N 442.538 0.389 50 20 ICGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 814732128 YYDDQIADCRXKMH-AWEZNQCLSA-N 443.547 0.447 50 20 ICGD Cc1cccc([C@@H](CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)NC(N)=O)c1 913660780 GYQRADZXDTXSHE-QGZVFWFLSA-N 447.517 0.806 50 20 ICGD COCCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916502535 VFJFTDLHSMUKHO-UHFFFAOYSA-N 442.538 0.397 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 917625385 QDTSEPXLOJRCQU-MFKMUULPSA-N 444.307 0.384 50 20 ICGD CNC(=O)CN1CCC(NC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 919711378 LQFLOMFARDOZIF-UHFFFAOYSA-N 438.532 0.984 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 920239879 GVWMXIJBTAUBDA-KGLIPLIRSA-N 428.511 0.607 50 20 ICGD CCCOc1ccc2c(c1)C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CCO2 920371425 VERYYXFHDDXWKG-UHFFFAOYSA-N 433.490 0.663 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1778949243 BBEJYNWLONLNKH-XNJGSVPQSA-N 433.347 0.555 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032500 LVYZPZHZIHSBJX-OAQYLSRUSA-N 442.476 0.301 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779223067 DSJZJNCBLDMTJU-KEYYUXOJSA-N 428.331 0.918 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779244531 QROKECFDDIVDJW-XWCIJXRUSA-N 443.346 0.617 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)CO[Si](C)(C)C)CCO4)C3)CC2)CC1 1781109898 UWOWAMRVTFCFRB-FQEVSTJZSA-N 438.645 0.448 50 20 ICGD COc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1781187598 IZWORADYBFQKEU-BEFAXECRSA-N 441.868 0.576 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783355543 VAMUAPJTGDJIJH-XEZPLFJOSA-N 437.356 0.567 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933440 JNBFNEAIYWFIEX-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1C=O 1783933975 PUOOQPLPIRCBLY-IIBYNOLFSA-N 433.509 0.065 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783948506 QSHXXACMWUONEY-KRWDZBQOSA-N 426.260 0.337 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1785826898 DJHVGQYQQHJKCF-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)cn2[nH]cnc(=O)c12 1787448228 YYSVVBZWQBQPSV-NHULGOKLSA-N 425.848 0.459 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939118 LLGPYVPKROEVGB-PAKFGRKTSA-N 441.319 0.954 50 20 ICGD Cc1ccc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1789491978 ZTFOEKRMUBXLKT-IEZWGBDMSA-N 432.521 0.667 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[S@@](=O)c1ccccc1 1790590894 BSWDRYTZOUGCAA-NOSMVEDPSA-N 442.965 0.762 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(C)(C)CCl)CC2)CC1 1792784255 BJJNICKRTAXSHG-BJWYYQGGSA-N 426.989 0.621 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2)[C@@H](O)CCl 1792980447 IVRYSQXMVHSMEN-LZDSYCOUSA-N 445.907 0.373 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)cn1 1794336931 ZRXPYMSTMBVSSX-DRXBFXEBSA-N 427.299 0.864 50 20 ICGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1794778894 ZIAVLMVNUSKQJU-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccsc1)C2)c1ccc(B(O)O)cc1 1795732436 FSPWLZSJOSDIMW-PIHZNMFFSA-N 426.303 0.345 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189980 OTQBCODZOWUHNA-KAOXLYBCSA-N 447.344 0.675 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1F)C2 1797748723 XXZSLDUHDGOYAN-QHBPRCKVSA-N 433.465 0.403 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798421731 GDXFMEKUGQCSLM-ACDBMABISA-N 449.316 0.648 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1800756594 FTXFDDVAJWSYFC-JFILPPLUSA-N 441.326 0.508 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@H]1c1ccccc1 1800924140 QPHJVEPFNZRXNU-ITEKTMBMSA-N 434.301 0.373 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364793 KDQPIDZHFBLRPI-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n(C)n1 1807369474 LACVVFCVTOKTKB-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1811000162 SDZIERBHJWMTNY-DYESRHJHSA-N 448.288 0.945 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c1 1815754974 FNXGSMOIACFVNT-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477028 WDKKLCOYVZOHCJ-SFHVURJKSA-N 449.276 0.408 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)Br)CC2 1820201447 REVRRRRIEGEQNE-PEXQALLHSA-N 447.355 0.990 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)nc1 1820252305 MQYAZBXNQJFQNI-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCN2CCOCC2)[nH]n1 1822413223 OQYJQVMCLIWZDO-QGZVFWFLSA-N 449.556 0.497 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)no1 1826091774 BUNLJPLRNWYFJV-GFCCVEGCSA-N 434.522 0.967 50 20 ICGD Cc1ccn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055973 LUJGDCKHXUWMOZ-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1830370806 YVRSAFRBIBGFSN-OALUTQOASA-N 434.917 0.324 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1830535324 MNRJAHXSXDKCIP-MPGHIAIKSA-N 432.359 0.568 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1830543864 GPYFUCWWSCZYSJ-CXAGYDPISA-N 429.315 0.440 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1N 1830722905 JBVCJZQEOXYBAD-DNVCBOLYSA-N 429.876 0.386 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830723997 BQMZOUCCTMZOHG-KBXCAEBGSA-N 432.304 0.713 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725704 RIGCNIWKNPHKQV-BEFAXECRSA-N 428.917 0.308 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831830577 UFBGRWYMYXRLQS-HUUCEWRRSA-N 439.877 0.585 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832723711 WJRGFDPHTAGAJE-DNVCBOLYSA-N 446.331 0.988 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833307840 AHOGEIIAWPFEPS-CRAIPNDOSA-N 425.961 0.691 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312516 PVKAXCXCWOQKQY-PBHICJAKSA-N 430.977 0.463 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cn1 1834530257 BVYOPORXOBGECN-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834621116 HXSQNGHKLJQZCB-HNNXBMFYSA-N 445.402 0.674 50 20 ICGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cs1 1835791938 ZLSKEVLAJGWFIU-OAHLLOKOSA-N 433.328 0.580 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836395345 GAXYXOHRVRSGRX-LJQANCHMSA-N 435.761 0.569 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)nn1C 1837453696 ZXLKBWIOMWSJHE-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715317 JESRIFXHKBZUAM-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838894511 XCWBZRDLRXEMSA-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839150355 KGCPIKGSRGFBSC-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839373549 MEPXOJDOXJPCDS-QGZVFWFLSA-N 435.260 0.677 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1839963089 ZRKOFEKXXRLPMK-CRAIPNDOSA-N 448.358 0.485 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034513 NYGRNIHNLCLDBI-SGTLLEGYSA-N 443.342 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840153197 HDWVYBPCEYTDFP-ALSKXNSISA-N 447.916 0.226 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183711 VMBCSDNFHMEHJR-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824361 MUVGNJPNTJDWLP-HNNXBMFYSA-N 444.960 0.654 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011877 FNFDWCAALRNDBD-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014774 ZQBVLZVDUIWPFF-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1843131494 LQAVXOCIOGFCFJ-OAHLLOKOSA-N 433.896 0.296 50 20 ICGD O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153814 CEFRLGOMJXISMM-INIZCTEOSA-N 436.875 0.917 50 20 ICGD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(C(F)(F)F)o1 1843392018 WGFXFHPITNBVHI-UHFFFAOYSA-N 437.183 0.812 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1843415305 KBEXNAGLCGNWCZ-SBGWBMIRSA-N 437.522 0.005 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1844265007 KBSCXJBRXPNOMN-UHFFFAOYSA-N 445.863 0.881 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1845788432 XPBXPRDVCGJUQI-KOUDTOEKSA-N 433.465 0.885 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1OC 20935263 ZICQQKCEFTZESY-UHFFFAOYSA-N 446.485 0.936 50 20 ICGD CCn1c(NNC(=O)[C@H](CCSC)NS(=O)(=O)CC)nc2ccccc2c1=O 111036144 LZQGBXORJPFKQN-AWEZNQCLSA-N 427.552 0.921 50 20 ICGD Cc1cccc(N2CCN(CCCNC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725871641 OVFZJYIXOHLIEW-UHFFFAOYSA-N 442.520 0.861 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c2ccccc2c1=O 729282059 WVGZTQOVNASTML-HXUWFJFHSA-N 435.484 0.893 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 730066129 FBYANAFJVYLITM-UHFFFAOYSA-N 432.458 0.750 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 730595612 YMUHEZNWETYCTH-UHFFFAOYSA-N 449.345 0.896 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 731684013 NVACRZMNBLQCSA-UHFFFAOYSA-N 434.465 0.741 50 20 ICGD O=C(COC(=O)CCn1cc(Br)cn1)NNC(=O)c1cccc([N+](=O)[O-])c1 732330546 VELZOLLBNOCTAA-UHFFFAOYSA-N 440.210 0.948 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 734240216 LGORQIXRWHDUGO-BETUJISGSA-N 425.486 0.407 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C 734255832 PIPCCMMBKBYNRE-UHFFFAOYSA-N 434.460 0.801 50 20 ICGD C[C@@H]1CC(=NNC(=O)C[C@H](C(=O)NN=C2CCN(C)[C@H](C)C2)N2CCOCC2)CCN1C 741765931 GFICSEIXBCWIAA-MBOZVWFJSA-N 449.600 0.250 50 20 ICGD CCc1nc(CN2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)CC2)no1 746478500 BHTDPVFPUGNNGA-UHFFFAOYSA-N 432.481 0.228 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)NC(=O)NC1=O 748038939 SDFKFAACRQPLSP-FQEVSTJZSA-N 443.485 0.939 50 20 ICGD COc1ccc(N2CCN(CCCNC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748446927 MVWCQXFJHOHVRI-UHFFFAOYSA-N 432.525 0.160 50 20 ICGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 749010605 GIYRCBQDXFMSOF-UHFFFAOYSA-N 448.500 0.570 50 20 ICGD COCCCNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Br)s1 749851225 HTSWVGZKIOMPKN-UHFFFAOYSA-N 429.318 0.156 50 20 ICGD CSCCNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 752762357 HELWAVUNINZPMC-UHFFFAOYSA-N 445.636 0.160 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(Cl)cnc2N)c1 754739891 GJINWUBIWDDJFV-UHFFFAOYSA-N 433.899 0.191 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 758838159 FIUUKVIZUOAMPX-CYBMUJFWSA-N 425.401 0.201 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)Nc1ccccn1 758838957 AHXISOSNPOOZHV-UONOGXRCSA-N 431.449 0.150 50 20 ICGD CC[C@@H](CN1CCCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 758848973 SLJCWTOHEDRYBL-INIZCTEOSA-N 439.586 0.518 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc2)C[C@@H](C)O1 761064397 XZRWHLVVTMZBEY-CHWSQXEVSA-N 440.522 0.617 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 763468565 MWZYSKOHIKQECU-UHFFFAOYSA-N 441.444 0.869 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)c1 763534099 AVZKTUUNAHHYSA-UHFFFAOYSA-N 429.458 0.818 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 763738347 TTXDVQOHUWGRSM-UHFFFAOYSA-N 440.428 0.680 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 764003790 OOJMGHUDOLZYSF-UHFFFAOYSA-N 426.389 0.652 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764169405 VVAHJTHIOKYJNP-KRWDZBQOSA-N 426.429 0.487 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)C2CCC2)c1 764341690 IEWIUUKJTMQRFK-UHFFFAOYSA-N 445.213 0.964 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1nccnc1OC 766260322 DJJWDWCIMVWWII-UHFFFAOYSA-N 448.505 0.548 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)CCOC(C)C)CC1 766907847 QZDQRBPNSKVKGU-UHFFFAOYSA-N 440.566 0.057 50 20 ICGD O=C(NNC(=O)c1cc(O)nc(C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 770208547 JWBZGJOMZQFSPL-UHFFFAOYSA-N 446.485 0.760 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)nc21 770348668 JFAALFRBILOYCN-ZDUSSCGKSA-N 439.480 0.597 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CN(C)CCO1 770433636 BOLDAHCBXPWRGF-RHSMWYFYSA-N 439.538 0.134 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C(=O)O 771605951 UTKMKGRLGKDKGW-UHFFFAOYSA-N 441.849 0.673 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(OCC(F)F)ccn1 777995131 RJUGOJYMQNGWSE-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cn1 780839113 BLVMIOCLAABGTR-UHFFFAOYSA-N 445.505 0.598 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)n1 783426858 KLDHOYZKFUUTTJ-LJQANCHMSA-N 449.489 0.186 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 784003420 WQBPBGUZOBPERU-HKBQPEDESA-N 442.497 0.703 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 784005026 XBKMWLQARMRPIQ-UHFFFAOYSA-N 426.357 0.586 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 784915291 KAIJHAZFXKCNTQ-UHFFFAOYSA-N 425.511 0.299 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3[nH]nnc3C)c2)cc1 790069995 IQQLTJAXVKHBHJ-UHFFFAOYSA-N 430.446 0.997 50 20 ICGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 792778933 XHRWKWSBDKRWCM-UHFFFAOYSA-N 449.489 0.133 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794064506 ZQIXRTAIEPMISM-LBPRGKRZSA-N 440.503 0.489 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 794765726 CSJLHMMVDZBRCN-UHFFFAOYSA-N 433.446 0.320 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)nc1 799260870 CIHGHHSKOQJUEI-UHFFFAOYSA-N 446.489 0.587 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 802061553 YGIPDQAQOKNSSF-UHFFFAOYSA-N 449.489 0.646 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1sccc1S(=O)(=O)N1CCOCC1 804956192 CYKKLFORIVBBQN-UHFFFAOYSA-N 435.491 0.502 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CNc1ccccc1 823327822 IYFUDCIYGAUART-UHFFFAOYSA-N 446.529 0.900 50 20 ICGD COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 913228740 BUPSFGHHOCNRGR-XUDLPTGHSA-N 447.513 0.477 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)c1 916095403 KHSMTOQUXZDSOE-AWEZNQCLSA-N 446.485 0.783 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)N1CCN(C)CC1 916258473 XJIRBYYCNJGKLC-QGZVFWFLSA-N 429.525 0.794 50 20 ICGD CCNC(=O)NNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920857589 UXIPEHKEDXWTAD-GXDHUFHOSA-N 425.449 0.691 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 921199616 MWZLHKNGAKEYGW-GOSISDBHSA-N 426.477 0.504 50 20 ICGD CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1339414884 SAFQUNZCVOSOKP-RYUDHWBXSA-N 431.540 0.280 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nccn4c3)CCO2)C1 1779031728 FKDMJMHVORFGJT-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780773224 HDQRWZKIYRQFMY-LSSIXWDNSA-N 437.310 0.638 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1782736870 PUDHECZYYMMILO-ULBQFAGESA-N 443.529 0.825 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782955210 YCOGHDAKBDOAKM-WWGRRREGSA-N 437.356 0.425 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783149721 QGTIJVVOXQLZME-HXUWFJFHSA-N 448.432 0.229 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1783875669 SAISBPJIRPZGLN-FZKQIMNGSA-N 426.857 0.996 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1Cl 1783934017 RYOZRLDNUHRSGC-IBGZPJMESA-N 440.932 0.442 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ccc1[N+](=O)[O-] 1784095495 JGUPKIISGBFOTG-HPZZRFSDSA-N 441.868 0.796 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1CC(=O)N(C2CCCC2)C1 1784965894 YZCHHYHHOPKSCW-IAVJCBSLSA-N 441.956 0.357 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 1787507062 HQHXLRZSVYKJFE-BPOXOXDZSA-N 445.520 0.669 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1787514471 BFFZPULBYCRTTR-MLEONAHRSA-N 432.359 0.864 50 20 ICGD Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)n1 1788503105 IQGUYUOOICELKL-SRVKXCTJSA-N 429.319 0.084 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccoc1Cl 1789414867 RSCHGYYROBECKP-JQFCIGGWSA-N 432.669 0.520 50 20 ICGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CC1 1789925859 WOTIFHQDKPFBKQ-CYDGBPFRSA-N 435.290 1.000 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1790963664 WYTOGGRMNGVELX-MNXVOIDGSA-N 427.299 0.537 50 20 ICGD O=C(Cn1ccncc1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791042215 HADGFSNEPYXMQQ-UHFFFAOYSA-N 446.272 0.371 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]21 1791290630 FADVLRFSKQEGRH-IHPCNDPISA-N 445.564 0.719 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1792871291 UGSXDKRUISKBBD-ZIEJDFEHSA-N 436.310 0.964 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792884380 MPGSWHHYANZPJH-DGADGQDISA-N 447.960 0.869 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737158 YLCQZUDWDJEGCJ-JWVYWZTKSA-N 438.289 0.037 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2)c1cccc(B(O)O)c1 1795741402 ZINNDDDZGIPSHY-QKSJRXBFSA-N 434.248 0.315 50 20 ICGD CCC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1796382356 RMARHCCXBQEMKJ-KOUHRCEDSA-N 439.321 0.413 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)c(F)c1 1799002189 BJRJNHAZILLAEZ-IVWMJMPLSA-N 445.426 0.480 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c2n1 1799175692 DADPBQIZHRVSNQ-BJWYYQGGSA-N 448.288 0.817 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3n1C)C2 1801011164 KEKCERWSIHFGAX-FAQVEIGNSA-N 441.532 0.755 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cc1)C2 1801011907 RWOGCYRIKCGYJM-UPHUGPLXSA-N 431.537 0.329 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806054040 YAHDFUWHZSWGOA-UHFFFAOYSA-N 444.536 0.445 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079159 CSVFCDZUQXBWTN-MAZHCROVSA-N 434.859 0.876 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366223 XSSDNMBEFYBFGA-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(Cc1ccncc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807494582 ONYQMYZCASWZIZ-OFNKIYASSA-N 444.300 0.719 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1811535370 JLXRGLRDBYJJCX-RXVVDRJESA-N 443.272 0.595 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1[C@H]2SC=C[C@H]21 1812383073 MPFJWFOVDJNAPI-URZNZNTCSA-N 449.341 0.956 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1813030036 CXKCOXAZSHIQJL-CMKODMSKSA-N 437.972 0.589 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814601510 MJIQRDJFTKNBDR-GFCCVEGCSA-N 436.538 0.051 50 20 ICGD COC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CC1 1815348433 NUOGDRJZQKCWHD-CYBMUJFWSA-N 443.290 0.002 50 20 ICGD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)co1 1819795917 VUPDGOAFWLZTIP-JTQLQIEISA-N 441.473 0.978 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820953275 ALXILIRWWGTHGR-SJORKVTESA-N 439.281 0.016 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1822547541 AWEHHXFBFIZSKF-ZBFHGGJFSA-N 442.350 0.391 50 20 ICGD CC[C@H](NC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827037960 JDGHTXWJOVTHMF-OALUTQOASA-N 430.553 0.916 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831640066 XYZBADJMGUESPA-QFBILLFUSA-N 434.002 0.899 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1831658570 XMRVPVCPCWDDHO-JVPBZIDWSA-N 434.917 0.466 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832207849 AEJZPQHXJHLATQ-QRWLVFNGSA-N 435.912 0.905 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)CC1 1832377076 AKLIORGUTOJXKT-VQIMIIECSA-N 429.521 0.955 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729519 GZSGJJRUTHZPOA-OXQOHEQNSA-N 438.912 0.285 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833097415 QOMJOURTVIMXOY-QZTJIDSGSA-N 430.977 0.727 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833519865 MYBWMTMUGHJDRG-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1834574840 PNKWIQPSTCSJIW-BEFAXECRSA-N 427.885 0.068 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C(F)(F)Cl)CC2)CC1)c1ccc(B(O)O)cc1 1834799340 YDJOPODVNHSTSO-UHFFFAOYSA-N 443.687 0.383 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnc1 1834818897 FHJSLYSRTFYGCH-WMLDXEAASA-N 429.315 0.686 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834822976 BOMQERPMDOQFFY-SVYXSEEQSA-N 442.310 0.940 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1834856539 PTSLIOHIWAIIPO-IRXDYDNUSA-N 425.309 0.632 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836505735 BNVALZMAANPZJZ-KSSFIOAISA-N 431.320 0.212 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716968 BCQXXNRDQPSYNS-KRWDZBQOSA-N 438.912 0.618 50 20 ICGD O=C(c1ccncc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837423200 YGOQUQVIVRLLEA-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cc1O 1837710221 PFQJNQHIYGHCBN-GOSISDBHSA-N 426.546 0.047 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712431 QFJHDXJLLZTZFT-LJQANCHMSA-N 438.557 0.407 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199173 RTHNFEUEHWFFJP-CPUCHLNUSA-N 436.322 0.618 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)ccn1 1839200337 IVUSFCLLIWDORG-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839432107 BMOVIELABJKOLX-KBXCAEBGSA-N 449.287 0.421 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840141302 CRRUGVPAIZPTIY-YGTYGHESSA-N 432.876 0.733 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840153665 XEJIBZOKCVLSHJ-BAPGRXHISA-N 429.945 0.037 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 1840154079 KTXGAAXRXXPLOT-KUHUBIRLSA-N 428.917 0.857 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1cncn1 1840420622 PSGTZLDHXUTXCN-XYPHTWIQSA-N 434.324 0.532 50 20 ICGD O=C(c1ccnc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010816 GUXZZHUCZARSAQ-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCOC2)C1)NC(=O)NCc1ccccc1 1847035632 ZULOMBQBPREVSO-IBGZPJMESA-N 443.548 0.963 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1847499706 MKUFPPSQTXECKR-XDTLVQLUSA-N 445.339 0.685 50 20 ICGD O=C(NCCNc1ccccc1[N+](=O)[O-])NNC(=O)c1csc(N2CCOCC2)n1 9790529 BGMSSBJVSAVZHS-UHFFFAOYSA-N 435.466 0.944 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15795317 MQORZYATBQSDCU-SFHVURJKSA-N 447.469 0.309 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 23621544 REDVKXNKYJMWBC-NYYWCZLTSA-N 427.446 0.508 50 20 ICGD Cc1nn(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1[N+](=O)[O-] 728342758 QWBSCAUPVLMONU-HNNXBMFYSA-N 447.404 0.329 50 20 ICGD O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728890200 ZXPBILQCQQACBI-UHFFFAOYSA-N 429.456 0.479 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H]1C 733998998 JRWCBUWNEHKKCE-BBWFWOEESA-N 440.589 0.157 50 20 ICGD Cn1c(=O)c2c(SCC(=O)NNC(=O)C(C)(C)C)nc(C(C)(C)C)nc2n(C)c1=O 742448351 AALTUHOMGAEIFG-UHFFFAOYSA-N 436.538 0.610 50 20 ICGD CCCCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 743357087 VZMZCMYNYVEBAP-UHFFFAOYSA-N 428.511 0.468 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1cn2ccccc2n1 746747679 SJDRSSYAFGNBEY-UHFFFAOYSA-N 430.490 0.658 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1F 747580937 LADIVLULOFUWAP-GFCCVEGCSA-N 436.893 0.912 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)NC(=O)NC1=O 748538741 WPQJMEMCKYJEHT-OAQYLSRUSA-N 437.460 0.209 50 20 ICGD O=C(CCCn1ccnc1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 748604633 KGNXKYAZYDGTBE-UHFFFAOYSA-N 449.533 0.464 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 749447541 CTCDJFHYDJQHGP-QGZVFWFLSA-N 436.468 0.753 50 20 ICGD O=C(C[C@@H]1CSCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 751538521 JHJCJYJRMNVUCE-CQSZACIVSA-N 445.588 0.707 50 20 ICGD O=C(Cn1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1)NC1CCCC1 756795872 SXKAAIIBWYKEME-UHFFFAOYSA-N 438.452 0.384 50 20 ICGD O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)Nc1cnn(CC(=O)N2CCOCC2)c1 756835507 NMQTVASQIQWPIH-UHFFFAOYSA-N 444.477 0.660 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-n1nnnc1C1CC1 757620602 IDIKYYCDMFQKTE-LLVKDONJSA-N 435.466 0.136 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1 757781259 QHICXPOKLQSHEC-UHFFFAOYSA-N 438.462 0.133 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)Cc3cccnc3)ccc21 761156885 QESDHNQHGCUGOA-UHFFFAOYSA-N 439.476 0.742 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c1 763718884 QDYUUMFGIABNGS-UHFFFAOYSA-N 429.458 0.818 50 20 ICGD O=C1C[C@@H](c2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])c2)CN1 763803177 IJJSENZWXBKXGA-CYBMUJFWSA-N 441.400 0.363 50 20 ICGD COc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763920716 CBXBWCXEYBBFTD-UHFFFAOYSA-N 447.358 0.672 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2ccccc2O)c1 764045267 HPPJAAJOIURQKU-UHFFFAOYSA-N 439.515 0.870 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)n[nH]1 764098044 JEHPMNCUSJYHDB-UHFFFAOYSA-N 439.476 0.405 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764159959 JWNOGWWOYNHZMQ-KRWDZBQOSA-N 426.429 0.847 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccoc2)c1 764162567 DSSWVVURQQLVQF-MRXNPFEDSA-N 442.428 0.847 50 20 ICGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764267057 SCWKTFJFZDNRNK-UHFFFAOYSA-N 442.476 0.886 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 764343369 PRDFOUWEPHAJGW-UHFFFAOYSA-N 445.892 0.860 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 764523300 GTAHWZBNAUXGBV-UHFFFAOYSA-N 441.488 0.745 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1 765394161 XQWURFXNTAZYQV-LLVKDONJSA-N 430.483 0.494 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 765409085 ZJSYGILWPCKWGZ-UHFFFAOYSA-N 430.483 0.832 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)cc1F 765636114 JUSPFAHMZCSQFH-UHFFFAOYSA-N 447.466 0.925 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)C3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H](C3)C4=O)nc21 768146076 QXEPLSHSNVPIOX-YOGCLGLASA-N 445.480 0.974 50 20 ICGD COCCOc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771608550 VNUHJKRNOBWCRK-UHFFFAOYSA-N 441.893 0.991 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1cccc(Br)c1 772045628 SERJTJPBKASLFB-SNVBAGLBSA-N 435.296 0.853 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)COc2ccccc2O)nn1 773497578 XRHRYMKXCKVWFD-UHFFFAOYSA-N 425.405 0.150 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)nc2ccccc21 782888014 VGJSEQPJOMDZLH-UHFFFAOYSA-N 436.428 0.859 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 784004306 FLUDDEHBEQOXPH-UHFFFAOYSA-N 426.458 0.509 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784213501 OCYDUUCBFJZSGC-UHFFFAOYSA-N 445.501 0.877 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C(=O)N1c1cnn(C)c1 793062779 MYFPZVQZBSPCSD-BBRMVZONSA-N 443.464 0.171 50 20 ICGD O=C(NNC(=O)c1ccc2oc(O)nc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 805158636 WJXCVMNMACGZIS-UHFFFAOYSA-N 446.441 0.629 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2ccc(F)cc2Br)nn1 807250633 IFZHHKNGBSKBTA-UHFFFAOYSA-N 429.206 0.611 50 20 ICGD Cc1cc(Br)cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 814877137 JUTUOBTUIMEAQS-UHFFFAOYSA-N 449.265 0.361 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1 816810187 BXKGCXAWBCUFCH-OAQYLSRUSA-N 444.513 0.546 50 20 ICGD O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852067 HJIKXKRTGLFHLZ-UHFFFAOYSA-N 443.485 0.817 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2C1 914831322 IEMABHJBOXVMCC-KWCYVHTRSA-N 439.559 0.670 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 915188164 WKRKLAXUHJRXGN-JKSUJKDBSA-N 441.454 0.803 50 20 ICGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916469695 DBOTZNIEOGOSKI-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD O=C(NCCS(=O)(=O)Cc1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 916635759 BIEAWQXZSXCVNC-UHFFFAOYSA-N 429.462 0.221 50 20 ICGD O=P(CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)(c1ccccc1)c1ccccc1 1319744953 JURXNYOJUGMODB-VXKWHMMOSA-N 448.525 0.776 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1337490733 WOCCDISJHSERKL-UHFFFAOYSA-N 427.509 0.807 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778747794 FSZLTGTWTQBYIH-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD CN(C)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780641772 VGSOQVRCSQOLEY-QHCPKHFHSA-N 437.305 0.190 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780648401 WRMMREMGRSFLRL-JOCHJYFZSA-N 439.472 0.451 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783349684 RFHUGFLPWKNIRF-CRAIPNDOSA-N 431.375 0.237 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783924604 TXEQCTFNSWFONZ-CSMYWGQOSA-N 435.315 0.463 50 20 ICGD Cc1ccc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784430370 ZKCUJPWESWJUPF-VQKOGROQSA-N 440.330 0.893 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)ccn3C)[C@H]2C1 1789226510 OKGGBNPFUDCICA-DUPGQFARSA-N 426.311 0.762 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1790961503 LCZNVXYLPTWGMA-ZPFDUUQYSA-N 443.298 0.655 50 20 ICGD Cc1c(F)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1N 1796154485 DXWYEYMVXZTLGX-BJWYYQGGSA-N 425.269 0.962 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797955995 UHLYHKUUMCVRKX-RBZXCYDUSA-N 449.584 0.562 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)ccn1C 1799224207 TXMCWZWDNPQCPP-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009195 QZJNRPBILDYAOB-ZSBFGKGUSA-N 438.550 0.723 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 1802440138 WJLVPGZURPIJDZ-WPPMCKGSSA-N 428.493 0.285 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CC[C@H](N)C(N)=O)CC2)C1 1805383621 UCEVMEICMAUKGU-KGLIPLIRSA-N 431.375 0.841 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)nn1C 1805596979 NGZHCFWLYXTYPU-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)no1 1807014116 BZHPGHJTAXLGAC-UHFFFAOYSA-N 441.492 0.464 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367906 OLKZIVOIHADZFE-SIKLNZKXSA-N 438.337 0.421 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369572 OUCFAAISDKHSTD-RXVVDRJESA-N 430.273 0.790 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1809552179 XRSUXCAUGUHGJX-OBUJGBQQSA-N 437.305 0.649 50 20 ICGD O=C(Cc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814995654 LTJFXCNFYATSPX-SFHVURJKSA-N 434.265 0.428 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cccn1 1817475435 PJFPTQCBDWQWEY-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825450146 FHWPIOUMFDTOBS-GUDRVLHUSA-N 431.356 0.951 50 20 ICGD COc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080313 ATNUQKPMIJCLSR-NSHDSACASA-N 449.537 0.484 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826879059 JPZMBPUHVSRAOJ-GFCCVEGCSA-N 434.526 0.110 50 20 ICGD C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829260063 FVMQZBSTCGAZJP-LAUBAEHRSA-N 433.892 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193935 KTIDLAWRMNJJEY-GOSISDBHSA-N 446.552 0.848 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833271092 WQPPYKHVRAKZLI-KSSFIOAISA-N 442.310 0.421 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c[nH]1 1833376340 PVBCJGDMVLIUDR-YWZLYKJASA-N 427.929 0.982 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1F 1833672173 GLQDZBZZSUJZOA-SFHVURJKSA-N 428.537 0.779 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)CC)C3)C2)nn1 1838831650 XXRRASSAFBJPLM-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839240746 SLAMYYBAUYJZHQ-FQEVSTJZSA-N 438.601 0.877 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1839962597 LHXIPRZBVBBZKW-ABAIWWIYSA-N 433.328 0.782 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1840152024 URAFQOGZNIHQIF-NQIIRXRSSA-N 440.924 0.948 50 20 ICGD O=C(c1n[nH]cc1I)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841352132 XUMZYYNAWXKKCV-VIFPVBQESA-N 438.653 0.431 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841649390 JBKLCDZQWSPOKS-HNNXBMFYSA-N 432.389 0.446 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)c1 28195792 JHUKIYJNUNDFSJ-ZDUSSCGKSA-N 436.490 0.890 50 20 ICGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 725898926 OGVFVVJZKAOGMP-KRWDZBQOSA-N 436.534 0.881 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2cscn2)CC1)c1csc(N2CCOCC2)n1 728594615 VUQOLVVBIPLOSQ-UHFFFAOYSA-N 437.551 0.608 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1cc(I)ccc1-n1cnnn1 728851960 HYMYIYSYXDLRAA-UHFFFAOYSA-N 449.212 0.666 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cccnc1 728893388 KBIHTVRLRMWRKR-UHFFFAOYSA-N 448.501 0.692 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccccc3O)CC2=O)c(OC)c1 730778022 IEOVGCZLFGKNMU-ZDUSSCGKSA-N 429.429 0.989 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731616817 CBDOYEUJBVUXQG-VHDGCEQUSA-N 426.495 0.220 50 20 ICGD CC[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 732001762 XGTWYVWCMVYBHL-SFHVURJKSA-N 444.513 0.762 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C3CCC3)CC2)cc1 732144497 WPHGOWRFHGRSKP-UHFFFAOYSA-N 436.534 0.556 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3c(c2)OCO3)CC1 735117342 ROUSPVALCPCSBT-UHFFFAOYSA-N 433.490 0.432 50 20 ICGD CCc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(C)C)cc1 741174594 DAQHAQUVCGGYKA-ZDUSSCGKSA-N 435.506 0.813 50 20 ICGD CN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 746949003 GXDOJDDWQQGNAB-OAHLLOKOSA-N 447.554 0.719 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1C 752610144 JTPVLBNVPXYLQP-UHFFFAOYSA-N 429.458 0.917 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 755091043 WVRLRTKCASIJRH-IYVPYFHTSA-N 428.445 0.455 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 755414180 SXDDAOIMVQFTST-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755847854 YISLACPQOBPCTN-SNVBAGLBSA-N 430.396 0.392 50 20 ICGD CN(C)c1c(Cl)cccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755939973 OSKWNBRCDWDBKO-UHFFFAOYSA-N 448.871 0.006 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H]1CCCO1)N(S(C)(=O)=O)CC2 756128387 XZESGCTXGLOEDO-HUUCEWRRSA-N 441.506 0.279 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br 756169327 JUCOXLLNJDSKFS-VIFPVBQESA-N 446.254 0.373 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 758862545 SIDWIIJHCDVIIL-UHFFFAOYSA-N 433.852 0.748 50 20 ICGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 763718868 PTYYNTMNYJNLEZ-UHFFFAOYSA-N 430.486 0.596 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 764226741 KOMNJPMCPICVGI-MRVPVSSYSA-N 436.437 0.166 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Oc1cccnc1 764234707 ZJTGDVBBBZEUBI-LBPRGKRZSA-N 435.462 0.206 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cnn(CC(F)(F)F)c2)c1 764375018 PHTAVXWOCFAHBO-UHFFFAOYSA-N 448.427 0.840 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764635713 MRJGUBNWOJKSFO-GFCCVEGCSA-N 430.442 0.457 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(S(N)(=O)=O)oc3C)CC2)cc1 765753992 IGWOPAXNHMIWAX-UHFFFAOYSA-N 449.533 0.123 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)OCC3CC3)CC2)cc1 766636129 JZZZLQBRWQJRQO-INIZCTEOSA-N 438.550 0.264 50 20 ICGD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 767208669 CDCXAMCWNZTUOA-UHFFFAOYSA-N 440.166 0.888 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)s1 772069553 MBRKAGKXHVXLMY-SECBINFHSA-N 425.916 0.805 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)=NN1c1ccccc1 772889019 NPIWADCRDVDGNK-INIZCTEOSA-N 442.863 0.224 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3nc(C)cc(C)n3)cc2)CC1 773479920 MHOQCBGJOLKMGF-UHFFFAOYSA-N 441.492 0.470 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(-n2cnnn2)c1 775921056 JOJBKLCQMJZBQH-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)nc1C 778425176 MOKJYVZVPNUZMI-LBPRGKRZSA-N 437.478 0.780 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ncn(C)n1 780702574 CMUKAMWZXDFILH-CYBMUJFWSA-N 435.510 0.695 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NN=c3cc[nH]cc3)cc2)C[C@@H](C)O1 783378716 LJXRUCWCUOKGDO-ZIAGYGMSSA-N 433.490 0.383 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005379 YAENKUNIRDLNEV-UHFFFAOYSA-N 445.501 0.409 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971867 ZQVLPTSELDLKLO-MLGOLLRUSA-N 428.436 0.838 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 787541051 KCHLEZFHWCHGNI-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNC(=O)Nc2cc(Cl)c(OC)cc2OC)nn1 790915019 ROFNMKWUPDLAFF-UHFFFAOYSA-N 441.832 0.771 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nc1Br 793021790 JPKCLOUJELYJTH-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1C 794589504 IXBCZKZJBWFQIC-UHFFFAOYSA-N 427.504 0.429 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(F)ccc(Br)c2F)c(=O)n(C)c1=O 799873644 JNOZYVLNSCUHRL-UHFFFAOYSA-N 448.249 0.762 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 809940950 SSEFJEQJXJWRJN-UHFFFAOYSA-N 431.474 0.630 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(C3CCOCC3)nn2)cc1OC 811299523 MJHPHUCKEHDDJA-UHFFFAOYSA-N 433.421 0.265 50 20 ICGD CC(C)(C)OC(=O)N1CC2(CN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 814664173 RSTOOYVFRNNYAI-UHFFFAOYSA-N 449.464 0.678 50 20 ICGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815692335 ONFXRSSLLWWEQR-OAHLLOKOSA-N 443.508 0.347 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 915789158 ULGLFUDNXVVXLI-UHFFFAOYSA-N 438.893 0.795 50 20 ICGD CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 917226932 UTTGQKYDBOJTQH-QGOAFFKASA-N 428.489 0.768 50 20 ICGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 920859500 KOXBPZKJLUADMA-OAHLLOKOSA-N 425.467 0.878 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O 921258455 GKDRFOVUXJYRKX-UHFFFAOYSA-N 431.396 0.663 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2nc3cccnc3[nH]2)cc1 1251779969 XGKGCFRKHSLACR-UHFFFAOYSA-N 430.490 0.667 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 1328686512 IIIGBDCROVIIRP-AWEZNQCLSA-N 447.558 0.388 50 20 ICGD Cn1ncc2c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cccc21 1778027460 KGYDFODKEKYLTH-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778127158 VSDCCEOOHXKIJQ-MGPUTAFESA-N 445.944 0.937 50 20 ICGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1778235542 ORWDULBKZAFOOF-WRWLIDTKSA-N 442.944 0.911 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1778352826 XWMCLZXEVDWMEW-HXUWFJFHSA-N 428.961 0.245 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Cl)C3)CC1 1778907759 GPSBEPLEKDCQPP-SZVBFZGTSA-N 432.924 0.199 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779320006 SFSSWEPBVWRNEY-JJRVBVJISA-N 434.331 0.141 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374119 AYENICXBNKVJGJ-DCZDKMHXSA-N 429.521 0.859 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1782074245 SELCCNZFGSVVQM-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD O=C(C(O)O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783017585 BEZSWRMREFXWHX-KSSFIOAISA-N 427.295 0.133 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1783964698 ZCOGKXIRFAJYJP-YTFOTSKYSA-N 430.343 0.523 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1O 1784092883 WYKRVNJHKBCZDJ-QEWYBTABSA-N 426.897 0.984 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784097137 PGLBIPRIIXZSCK-QAETUUGQSA-N 445.944 0.434 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784438492 ITLFKLZOYKBFLM-CWVYHPPDSA-N 437.990 0.701 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 1784773976 UOUARRSOYKVOEM-UYSKRRQASA-N 432.525 0.291 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786734091 VERYVAZWARRSJR-XQLPTFJDSA-N 430.343 0.762 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1O 1786984873 TVVWZIOFNXIGFO-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21 1787508857 MXSJCAUCTJPNKP-UBZAWFQNSA-N 437.447 0.755 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792240038 SJLRNFGJNPUATO-RVMXOQNASA-N 433.983 0.844 50 20 ICGD CC(C)n1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1C(=O)O 1794759000 AAMNNOBDRBQUFI-QDMKHBRRSA-N 448.524 0.787 50 20 ICGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1Cl 1795740571 BSVUDBQJCBWWOR-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189678 OLPQDTGLOQBJGP-KQLYMOGASA-N 449.316 0.437 50 20 ICGD Cc1c(F)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1N 1796191307 XNFVEPYYOQFZSI-BJWYYQGGSA-N 425.269 0.962 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1797952862 NDKRFDNVGAAMNW-ZSBFGKGUSA-N 439.610 0.919 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2)[C@H](F)Br 1799347670 UPOYDKGRBLMWJO-DJBIQUGXSA-N 426.246 0.852 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccoc12 1800053164 XUHKTSWIZMSMDR-CCWDJLKJSA-N 449.467 0.948 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)s1 1801010617 MDCPXLWFEXCCKK-VPTLXERWSA-N 436.578 0.952 50 20 ICGD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)ccn1 1802336559 MKYJRIRETHJPBB-BJWYYQGGSA-N 430.509 0.665 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802338035 IVEWQKVZBYEBDY-NXOAAHMSSA-N 444.536 0.211 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803139527 QIBRXJOFNBBHJN-XLNGHYISSA-N 437.953 0.714 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnc1 1803314900 YZFJXBPICIEQNF-MMOPVJDHSA-N 441.536 0.918 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804347936 KBNLUAAIECBFKF-GMXVVIOVSA-N 428.276 0.489 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807073626 NCKODROIINJSCD-HGWQEYRNSA-N 438.337 0.454 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807365661 WFBLMMBGZSOCJB-DYESRHJHSA-N 449.276 0.015 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374739 MBIVTGIKLAZOIH-UGKGYDQZSA-N 438.337 0.421 50 20 ICGD O=C(Cc1cccnc1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354416 AIFRGRQXUZKDTR-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1817281765 OTXUCCMAWRBSDQ-IVWKQIGUSA-N 448.505 0.198 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccncn1)CC2 1819797391 UWMCIJJUCNFBGT-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cnn2c1OCCC2 1823994397 GYEHELXZRDXLCT-BXKDBHETSA-N 425.898 0.948 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1824185570 YKHOSPZGYWWBHM-WDSOQIARSA-N 429.005 0.842 50 20 ICGD Cc1ccn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827050185 IARDCKXCDZRREQ-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCCC1 1829967027 IWVPJZVVSSOVGA-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830726485 YTJLIPWDLOOUMU-NQIIRXRSSA-N 440.924 0.684 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830769043 LWFBXWCNWFLXBS-FXAWDEMLSA-N 427.618 0.779 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831478469 VVTHVNHNPCETBO-ROUUACIJSA-N 438.352 0.594 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831868339 YKJXOIPACGDNAR-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1832006034 YQKYIFFKLJDHSN-ULMVMLMRSA-N 446.928 0.022 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470261 YWCMMOPHOIMCRE-KUHUBIRLSA-N 427.885 0.563 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755792 CQLHWDPACYOEBN-LIRRHRJNSA-N 444.916 0.489 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819590 WNMYAGPHRZPVEK-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819730 ZJIOYMMIGMCPRU-INIZCTEOSA-N 433.278 0.712 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198347 CGTZOVUOIXYGBS-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD O=C(COc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199622 YKYDWIJPMAODEB-RDJZCZTQSA-N 446.273 0.607 50 20 ICGD COc1nccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1F 1844263961 OWRIGNYVQCMDKO-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412580 OVYJVVCZVRFZCY-JLTOFOAXSA-N 445.944 0.816 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846614564 RZNNUOFGSKMJID-UHFFFAOYSA-N 425.493 0.095 50 20 ICGD CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 9889286 RGBUMQHUZKBRMJ-UHFFFAOYSA-N 436.534 0.637 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cc2c(s1)CCC2 10124485 NPYDBJRJSXTUNQ-UHFFFAOYSA-N 431.518 0.859 50 20 ICGD COc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 14894787 JIMHGFPOGKHIQJ-UHFFFAOYSA-N 430.552 0.624 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 17061008 UULGPVXGUQQKJS-LBPRGKRZSA-N 437.474 0.840 50 20 ICGD CC(C)CCC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727481739 FWOFZHLEEPYKPM-UHFFFAOYSA-N 440.522 0.021 50 20 ICGD O=C(NNC(=S)NCC1CCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 727866793 ZZODLSOBBKKHNQ-UHFFFAOYSA-N 430.527 0.756 50 20 ICGD O=C(COC(=O)c1ccc(Br)cn1)NNC(=O)[C@H]1COc2ccccc2O1 728343920 QBFDODRDCKAFLC-CQSZACIVSA-N 436.218 0.988 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 729275541 PLADAJQDFSFWBV-GDBMZVCRSA-N 446.529 0.777 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1NS(C)(=O)=O 734241587 IRKCUZZIZGXBFA-UHFFFAOYSA-N 429.499 0.835 50 20 ICGD Cc1cc(-n2cncn2)ccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 745413009 DQTRPAFMURCLRL-SFHVURJKSA-N 437.412 0.720 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746166660 CIAOALCCUNNLNC-MRXNPFEDSA-N 426.433 0.660 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 748544821 OIMYYPZJYKASPN-UHFFFAOYSA-N 429.458 0.424 50 20 ICGD CC(C)OCc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756223092 OOFNNZRNPXFQET-UHFFFAOYSA-N 443.464 0.212 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 756835618 PBGBLCGYISACCL-UHFFFAOYSA-N 432.437 0.226 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc(C#N)cc3)cn2)C[C@H](C)O1 756836979 CXOKUKQPXHZXJZ-KBPBESRZSA-N 425.449 0.857 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCN3C(=O)CNC(C)=O)n[nH]2)cc1 763165392 QHKAQCDSSUIKTL-GOSISDBHSA-N 426.477 0.527 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1 763423277 LWSHMGJSXSENMF-ULJHMMPZSA-N 443.485 0.899 50 20 ICGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797140 RVYQWPJDULYLAT-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 763824330 NLHXUQOLITUXKP-HNNXBMFYSA-N 425.445 0.411 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 763839036 XZLALXFADBKJAB-UHFFFAOYSA-N 439.403 0.596 50 20 ICGD COc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763997403 KRIKBBKGWSWXRF-VIFPVBQESA-N 448.295 0.287 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cccc1C(N)=O 764111631 PLLPJFCPAAVGKA-UHFFFAOYSA-N 436.428 0.892 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)n2)cc1 764152387 DKXCNXHFMVOGCD-QGZVFWFLSA-N 431.412 0.288 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 764210991 JKRNQPKWGBBBRE-UHFFFAOYSA-N 437.500 0.856 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 764293449 PFJVWUWNYORSBK-UHFFFAOYSA-N 438.419 0.807 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 766260559 HHSODVBWJYSCNJ-UHFFFAOYSA-N 436.494 0.785 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 770440495 NREOKZDQXBKQDI-GFCCVEGCSA-N 434.902 0.100 50 20 ICGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 770771650 LLEDOZGJXJRKMV-QMMMGPOBSA-N 436.259 0.417 50 20 ICGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772884900 RIKNDRBNRRUNDZ-UHFFFAOYSA-N 444.923 0.711 50 20 ICGD N#CC1=CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 779590030 LENZCPCFEWKWOW-UHFFFAOYSA-N 446.529 0.836 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(F)c1 784004359 LXAGROLCFOAUBL-UHFFFAOYSA-N 448.407 0.890 50 20 ICGD Cc1cn(C)c(CC(=O)NNC(=O)c2ccccn2)c1C(=O)NNC(=O)c1ccccn1 786586482 MSAQYMADKXGQOH-UHFFFAOYSA-N 435.444 0.202 50 20 ICGD O=C(COC(=O)c1cnnn1-c1cccc(F)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 789108619 POENBJHBKATTJO-UHFFFAOYSA-N 428.336 0.933 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnn1-c1ccc(Br)cn1 790583103 JEUMDWMYYAGJAZ-QMMMGPOBSA-N 446.287 0.120 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794061837 NREBOGCCBILWNZ-UHFFFAOYSA-N 448.501 0.601 50 20 ICGD CC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797370273 XWQFRYFIPHTHRH-UHFFFAOYSA-N 441.444 0.682 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307810 HDXFCDYRVPJQAD-AWEZNQCLSA-N 436.465 0.846 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCCC1 800520982 LMWMVVXMDNVIJQ-LLVKDONJSA-N 435.549 0.118 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1Cl 802566196 DLPSEIWLWPOWOP-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD Cc1cccn(Cc2c(F)cccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1=O 808868822 DBXBSTXIILSLPY-ZDUSSCGKSA-N 436.465 0.932 50 20 ICGD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691507 SCBRTPIIRGBEFO-QMMMGPOBSA-N 427.248 0.942 50 20 ICGD CCOc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 815815092 LDKXQVLZRQDDBS-GASCZTMLSA-N 444.492 0.999 50 20 ICGD O=C(NNc1nc[nH]n1)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 816633421 BIVBISNPMNLNEW-SECBINFHSA-N 445.299 0.781 50 20 ICGD O=C(CCn1cncn1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 818031447 MRUGOHMKZGFMIV-UHFFFAOYSA-N 428.474 0.608 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c(C)c1 914882205 ZAASDYUBWWPAIP-UHFFFAOYSA-N 449.514 0.877 50 20 ICGD CCN(CC)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915888729 SLWQUDQOMCRNCA-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(F)cc1 918099746 BWNDTRGTTNRLNZ-LLVKDONJSA-N 428.463 0.853 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2cccc(OC)c2O)c1 919755608 INXFLUXKRPQLKN-UHFFFAOYSA-N 437.474 0.709 50 20 ICGD CCCNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 921041631 GHTCYUJNUFVDMW-UZGISAJGSA-N 446.551 0.120 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)[C@H](C)CN1CCOCC1 1317717912 SMKZQVCQVXHYOR-OCCSQVGLSA-N 431.946 0.623 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)c2C1 1326009529 FQOLBZOWJOIFHI-AWEZNQCLSA-N 434.522 0.589 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778019518 MNDAGMPZCTYHOQ-GSDQYQHOSA-N 443.298 0.799 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cccn(C(F)F)c1=O 1779581707 AMQKMDQTNJJLLF-IQUTYRLHSA-N 447.866 0.971 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781056283 FIWYUPCRNBDWNO-ONUSSAAZSA-N 446.317 0.908 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1782173088 WMYWKUTUWOUEQT-XWCIJXRUSA-N 429.861 0.699 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210301 NWSVVTYGLLFHBR-NVEXJGOOSA-N 426.558 0.280 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1783744278 AHJNVRVEQBEMIC-JOCHJYFZSA-N 430.505 0.381 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccs1 1784379098 NUEPDIHMBYDGJS-BTYIYWSLSA-N 428.319 0.675 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788135530 KECSIGUMKSBTIE-AJNGGQMLSA-N 446.342 0.839 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1788762684 LNAZWKCFDJKBMH-VJANTYMQSA-N 434.613 0.783 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1789409155 OROUGUWSHIIVQO-LJQANCHMSA-N 449.508 0.558 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789866860 QCWDVAHQKGVFIU-HAFSJTIUSA-N 433.933 0.827 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293153 LYKWRIOZTIUUTM-ZULIPRJHSA-N 445.564 0.613 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791693280 VXGGGHIWTOYHPN-UHFFFAOYSA-N 447.256 0.039 50 20 ICGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)s1 1792978391 ATHANOFJCZWBIH-DDFXLWFNSA-N 430.910 0.267 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369041 CJYULYJXOPAVSC-MIJXAVMKSA-N 441.282 0.552 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@H]2C1 1798440613 SXZMBVURELPGFA-RGGMIXCSSA-N 426.521 0.277 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937838 ZIQVNXYDBUIOPX-FMSGJZPZSA-N 427.299 0.652 50 20 ICGD COC(=O)CSCC(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1806038141 ORZHMYJEJYGAJM-UHFFFAOYSA-N 442.582 0.497 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373733 FKSMKXPTXPJVDP-NEWSRXKRSA-N 445.712 0.335 50 20 ICGD Cc1cnc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)cn1 1808241768 JNDWRJLGVSECIL-UHFFFAOYSA-N 437.504 0.942 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1811497465 RXSBPROXAFSTQL-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncc(O)c1 1812909228 WIKDVXDUMGXMDQ-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813105797 UEYLCGSYUHIUTF-QIIPPGSGSA-N 426.477 0.435 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)on1 1815350318 QDJITMRGJNGMEA-CQSZACIVSA-N 440.290 0.588 50 20 ICGD Cc1cnoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360567 JFDNPAQTEUYYAX-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1 1818659365 OWQYBTISVKJRKD-WCUFRYMPSA-N 444.517 0.960 50 20 ICGD COC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401464 CIAVVHCHWZCMQB-LRDDRELGSA-N 429.481 0.997 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCNC(=O)C2)n[nH]1 1822484978 KYRVBUCDFUBDDN-DZGCQCFKSA-N 433.513 0.301 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824587795 FAMRULCPVMTAHF-DNVCBOLYSA-N 429.326 0.111 50 20 ICGD O=C(Cc1cc[nH]n1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824726020 GSAHMOPVIWUUKB-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD CNCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826888479 DSXUZHABUGLIAT-IBGZPJMESA-N 430.553 0.918 50 20 ICGD COC(OC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923633 QGCLGBMCFLWXGQ-QGZVFWFLSA-N 433.509 0.537 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829557899 UMILACJZIDQBFE-SUMWQHHRSA-N 434.276 0.110 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1F 1830738899 WSRJRMALMZLSSZ-AUUYWEPGSA-N 432.851 0.943 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)on1 1832571121 CCRJTROGKQQZHD-GOEBONIOSA-N 434.262 0.672 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833583127 NIICLXFUUGBEFF-SCLBCKFNSA-N 448.303 0.764 50 20 ICGD Cc1cnoc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836069152 LZSCTVSSIDABJR-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717263 QKTGNEQCDGMDPG-RHSMWYFYSA-N 431.961 0.890 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971894 KHAQTRQWMUIARI-AUUYWEPGSA-N 426.901 0.753 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839144882 MWKBNTRMACOADM-QRWLVFNGSA-N 439.896 0.956 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(O)n1 1839200113 FRAVKXRMZRBMGW-DYVFJYSZSA-N 446.273 0.856 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840032135 OGYWUVSRFGWBEP-NHYWBVRUSA-N 437.360 0.243 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840150876 SJPUCLUESKNZKQ-DJJJIMSYSA-N 444.891 0.750 50 20 ICGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187822 ZFPPDNPERYKSBH-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841347752 DBTFGQJJQTYDCB-KBPBESRZSA-N 431.917 0.425 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c2c1 1843306466 FIQBKMWNYUSJFD-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1846177546 VQUVWECXCMJMHQ-LBPRGKRZSA-N 436.372 0.645 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847568997 SERKYWBIYBZADJ-ZQDZILKHSA-N 431.917 0.424 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1-n1cnnn1 728322838 NWLNNIWPMDZVRD-KRWDZBQOSA-N 438.400 0.115 50 20 ICGD Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c12 729275783 RNAFWFIBRUARAT-LBPRGKRZSA-N 430.490 0.642 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1C 731761444 LSTUKEBSZZPTFP-UHFFFAOYSA-N 426.539 0.522 50 20 ICGD Cc1cc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nc(C)n1 736716129 BGPSBAJQFYWVDQ-UHFFFAOYSA-N 434.522 0.937 50 20 ICGD O=C(NNc1ncnc2[nH]cnc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 743471766 VFNALHYYXJVCCC-UHFFFAOYSA-N 437.869 0.784 50 20 ICGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 745834505 UBZFVPLPSMDDSJ-SNAWJCMRSA-N 429.451 0.125 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(=O)OC)n(C)c2)c2ccccc2c1=O 745977099 QPOLOXAMTMYVOZ-UHFFFAOYSA-N 447.473 0.555 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1 746598908 NTLYONCARYAUTG-UHFFFAOYSA-N 431.474 0.920 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C 747691132 AHHCXFUXYUZIJF-UHFFFAOYSA-N 431.474 0.442 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 748625262 LOZRNHWICPJBKA-CYBMUJFWSA-N 430.527 0.645 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1 749889154 UTTBDSLFIVWVNW-UHFFFAOYSA-N 435.448 0.399 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 753298277 LEIBPLZSQUMZID-OAHLLOKOSA-N 428.405 0.831 50 20 ICGD CN(NC(=O)c1ccnc(-n2cncn2)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758787729 VESCJGISKOVJJC-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCN1S(=O)(=O)c1cccs1 762852075 STIRGQNYZQJXSZ-CYBMUJFWSA-N 438.535 0.671 50 20 ICGD CS(=O)(=O)N1CCCc2cc(C(=O)NNc3nccc(N4CCOCC4)n3)ccc21 762859489 CZUKMHAALAPPPW-UHFFFAOYSA-N 432.506 0.782 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1 763432000 TXDWANCCKXMJBX-UHFFFAOYSA-N 426.429 0.710 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1 763881315 NLLSMZOVLARTPC-UHFFFAOYSA-N 435.444 0.933 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(OC(F)(F)F)c1 763916230 DRQNOVWIUUORSJ-UHFFFAOYSA-N 435.322 0.961 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 764005042 SMUPUQOTZLTBDB-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CSc1ccccc1O 764048513 ZDJOFSDYKPHUDV-GFCCVEGCSA-N 434.499 0.870 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1-n1nnnc1C 764161346 SNIKPYWGYKSHGZ-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 764231833 QHNTTYMSGDXDJL-NSHDSACASA-N 426.470 0.069 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c(OC)c(OC)c1 764288802 MLJWNTKHIYVWIC-UHFFFAOYSA-N 445.428 0.915 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC 764401073 UMEXSZATBBVWPI-SNVBAGLBSA-N 432.271 0.985 50 20 ICGD CC(C)N1CCC(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)CC1 771210344 ZZVFQRLHPUOATN-UHFFFAOYSA-N 436.582 0.709 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)nn1C 773498934 FVQZLYKLBKYFFM-VIFPVBQESA-N 440.254 0.745 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 778695848 TXXNQRUGNCCGJB-UHFFFAOYSA-N 444.533 0.394 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(Br)ccc2O)n(C)c1 779214265 CCYDUFUBEVSDSJ-UHFFFAOYSA-N 445.295 0.818 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)nc1 782145252 OMWCSUBINIBLIY-UHFFFAOYSA-N 442.476 0.568 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nc1 782146114 XYECOGDQPHIGCE-ULJHMMPZSA-N 446.489 0.985 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCS(=O)(=O)C1 783427337 ONUBAQZIILMLTO-KRWDZBQOSA-N 428.898 0.603 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 794065019 KUEDCXPPBBIPPJ-UHFFFAOYSA-N 439.428 0.426 50 20 ICGD Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 796999474 MTNAINOZTUWLFI-UHFFFAOYSA-N 449.406 0.602 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 798311181 IHHPRYIBWBXYCS-UHFFFAOYSA-N 433.490 0.946 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 802829079 MFQOTQMJAXSHHB-UHFFFAOYSA-N 444.457 0.599 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2ccccn2)CC1)c1csc(N2CCOCC2)n1 807132300 UIKJNASDVSHOCW-UHFFFAOYSA-N 431.522 0.547 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=C1COCCOC1)N(S(C)(=O)=O)CC2 814759161 SROPATPSASKGIH-INIZCTEOSA-N 441.506 0.472 50 20 ICGD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 819843865 KANGGLBTYRDCKZ-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 822013706 JOAWCJJGVATZQY-UHFFFAOYSA-N 440.435 0.616 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 825770280 JHUCDYZZDUEWBH-UHFFFAOYSA-N 449.489 0.191 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 912994481 NZEGLTZJARZQEC-MRXNPFEDSA-N 435.462 0.938 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 913432132 IKZYNQFVUGJRLN-AWEZNQCLSA-N 437.547 0.787 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(S(N)(=O)=O)c1C 915596765 XFTPUCCNJVWASX-UHFFFAOYSA-N 425.488 0.429 50 20 ICGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916096365 ORBBIJCRKBPZIB-AWEZNQCLSA-N 436.534 0.927 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1C 916434573 KOAIIBHORYVMHG-HKWRFOASSA-N 441.532 0.952 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)N(C)C 916577473 BLBFSONXOWINMW-NSHDSACASA-N 439.519 0.970 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 916830665 OAUCNISYTSLVMD-UHFFFAOYSA-N 448.501 0.628 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)SC)c(=O)n2Cc1ccccc1 918016921 OIODKIMYWFGVLM-ZDUSSCGKSA-N 444.517 0.327 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1 918402256 MFBCJVYDWBFFSQ-MRXNPFEDSA-N 448.501 0.986 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1 1320642394 ZIJIJKARQVKVFM-UHFFFAOYSA-N 438.535 0.689 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)CC1 1778115569 MTNGGKHBUAIVRS-CJNGLKHVSA-N 425.910 0.022 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780814863 AZDUIMTUMSVTOF-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783345113 XSAZRNXCZYYEOO-GTNSWQLSSA-N 441.282 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1783935528 VQLIJAXMNLJEPM-FQEVSTJZSA-N 440.447 0.487 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935786 WPSQHCCHBONGJW-QFIPXVFZSA-N 443.504 0.383 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1784520467 RJKIUACTRLTKMH-GGOFEBJYSA-N 443.393 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889677 FIWIWJYCKAGUIL-HPEDKQMDSA-N 426.857 0.022 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789376024 ITYPKFCHEKIBFQ-MPXAEWJHSA-N 430.299 0.791 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1790567978 YVKKIZQTIMSPAN-AVGNSLFASA-N 435.388 0.235 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790638492 GCBUSJACOVPVGD-QTVXIADOSA-N 428.331 0.850 50 20 ICGD Cc1ncc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1791591173 QAFAJBCMZBXVRY-XIRDDKMYSA-N 437.566 0.347 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792244126 KNVQDLSDMVTLMM-QSGXVVIFSA-N 437.924 0.384 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1792490301 MXQJBWFNWUHRAW-DVCIZKCMSA-N 428.327 0.608 50 20 ICGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1794118203 HHALPPLFJRHWIF-DJBIQUGXSA-N 448.314 0.758 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cnc1Cl)C2)c1cccc(B(O)O)c1 1795740201 DMODIEPASCTYMX-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1796027180 HDHNMAIKAWFLMJ-KHMAMNHCSA-N 432.949 0.466 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)o1 1796188664 GBIHTHYKOBWBPP-BJWYYQGGSA-N 425.250 0.483 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796442061 PNFBXXKFYBMLGN-IHOOKRKJSA-N 445.520 0.283 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)c1ccco1 1800239759 UWKBLHZYOAAOLD-DRXBFXEBSA-N 449.414 0.273 50 20 ICGD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C#N)=C/c2ccc(F)cc2F)n1 1800332614 SQMWLENSKXKZBU-OXISGRLHSA-N 442.426 0.904 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804366224 NZCHJVCBTYDFGN-IEZWGBDMSA-N 445.907 0.512 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807361551 RHYMSQAXPDWYFM-UWJYYQICSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369666 RKKNIRGJVAMFCE-CTNGQTDRSA-N 430.273 0.790 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809825288 ZBVYMSNRDMLRAH-ZIAGYGMSSA-N 431.375 0.984 50 20 ICGD C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813040693 SLUYLWGLEGSXRK-JDFRZJQESA-N 428.518 0.718 50 20 ICGD Cn1ncnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816302161 UEILATHBTFACHD-CQSZACIVSA-N 438.452 0.156 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178816 LCGPXJJQHMWRFT-FVQBIDKESA-N 437.990 0.534 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807970 MFJAMBVZRGVMCZ-LSDHHAIUSA-N 439.877 0.585 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828783232 JTHARLJLJIJEPQ-PLTNMMHCSA-N 448.394 0.758 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1828950758 NQJDLQIKQUDAFN-BZSNNMDCSA-N 446.928 0.701 50 20 ICGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CC1 1829895024 YOTUCVJTRGXZBU-YOEHRIQHSA-N 436.322 0.475 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725037 CYLLHHWQBUMILB-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD O=C(c1ccnc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728802 YDBVCSGIJDRHGE-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871276 QUPICRRGNZPUJI-SJLPKXTDSA-N 437.585 0.894 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1831952653 KBXFHEAKHOGMNB-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1834769555 LGXMSGLOUBXGKD-BMCXSGSRSA-N 447.326 0.593 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1)n1cnnn1 1835837384 FSZDKRRTHGFFQX-OAHLLOKOSA-N 437.621 0.657 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)o1 1836021262 FYRPMSLEUYUJOY-INIZCTEOSA-N 431.287 0.162 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1837861704 IRLUWZBDDYCWCD-OAHLLOKOSA-N 448.337 0.515 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838375964 RIIJBGFKHKSOTD-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105943 HGOBOMHKNGDUMZ-DBXWQHBBSA-N 445.004 0.486 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150739 WEFFMTOWMYBVKI-JKSUJKDBSA-N 445.365 0.114 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839201519 ZXCCCVFTLONICH-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635493 VZODWCIJPOPELA-FUHIMQAGSA-N 438.887 0.743 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839965809 LYCOQQVERQDSDG-BMGDILEWSA-N 432.359 0.758 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840141301 CRRUGVPAIZPTIY-QCUYGVNKSA-N 432.876 0.733 50 20 ICGD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(-n2nccn2)c1 1843011715 JQCBYVMCOVJZSC-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014346 ZLEJFBWCEWKUCX-UHFFFAOYSA-N 431.204 0.054 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc(OC)c1OC 15792588 HUMBOOOTHKCKLL-QKVFXAPYSA-N 448.476 0.974 50 20 ICGD CN(CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 15795231 TVEFDKYXFPLHBY-INIZCTEOSA-N 439.877 0.948 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cc(Br)c[nH]1 729282206 MNNCYOURLNTMND-GFCCVEGCSA-N 433.270 0.827 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731761442 LPOIYBUTXSXVGS-UHFFFAOYSA-N 426.539 0.522 50 20 ICGD N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(S(N)(=O)=O)CC2)c(-c2ccccc2)n1 732066064 HVUNRGZPQOAPDO-GHRIWEEISA-N 439.501 0.718 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1nc(-c2ccccc2)ccc1=O 734239619 UJMXJGKRCSJNMZ-UHFFFAOYSA-N 430.465 0.765 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccnc(-n3cncn3)c2)cc1OC 738631244 UUXGZCFIJBILHM-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Br)s1 742480229 LXVAGJOOPJNVBO-RRGXMBOYSA-N 442.291 0.824 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)nc2c1c(=O)n(C)c(=O)n2C 742769775 PINHMVWFFWBALL-UHFFFAOYSA-N 446.261 0.778 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 743637580 NMQUDAHOLAVBBP-OAHLLOKOSA-N 428.445 0.781 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 744385189 MXTZXHLJQWTLCY-UHFFFAOYSA-N 438.463 0.715 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 746013446 ANSOISYMXPGECG-KRWDZBQOSA-N 442.472 0.591 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 746098410 YMWXACXELSDTLB-KRWDZBQOSA-N 439.476 0.197 50 20 ICGD CC(C)OCCN1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 747590225 ALUVNPCMONAXFL-UHFFFAOYSA-N 430.509 0.767 50 20 ICGD COc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc(Br)c1OC 749189770 ZYOZDDWJZZBGLJ-UHFFFAOYSA-N 429.271 0.919 50 20 ICGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(Br)c1 750062158 ZNUZFPAYLKVTCX-CYBMUJFWSA-N 425.264 0.940 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 750280477 PYMIDOZXCADOIU-TUKIKUTGSA-N 446.416 0.463 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 755664538 VPQQPYPNWKMYDK-UHFFFAOYSA-N 434.416 0.778 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cccc1S(=O)(=O)NC(C)(C)C 756683571 SEZRIIIAXCPABS-GFCCVEGCSA-N 446.551 0.659 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 757777180 WCOWYHKDHHGBKG-ZDUSSCGKSA-N 427.527 0.972 50 20 ICGD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccccn1 758524600 WVIHKWFWKBWWHZ-CYBMUJFWSA-N 445.339 0.257 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCNC(=O)C3)c2)cc1 760223044 BBQXFUMFTXZZRD-CQSZACIVSA-N 446.485 0.783 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@](C)(O)CN1C(=O)C(C)(C)c2ccccc21 760490907 QYOKSAUWDGYYKL-NRFANRHFSA-N 434.493 0.734 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccncc3)cc2)CC1 763462357 NQSCMDYFZNXNFM-UHFFFAOYSA-N 438.488 0.188 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763528026 MJOPNLVYRPDMMY-UHFFFAOYSA-N 434.474 0.869 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763619611 YBIJKQSAIHBFDH-UHFFFAOYSA-N 448.501 0.848 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 763668133 JRBDKIRPWDIARO-UHFFFAOYSA-N 438.437 0.255 50 20 ICGD COc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 763790650 MJZLKYJPGBOMBW-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1 763820034 DDKJXDYLDSZQDC-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)cc1 763873335 WBRKABDJEUSDCV-NSHDSACASA-N 430.392 0.681 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 764081279 DZWCNFOFSCEOIN-LLVKDONJSA-N 428.511 0.904 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC 764139562 VMTURJAJDPUWMX-UHFFFAOYSA-N 445.428 0.828 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c2ccccc2c1=O 764375756 PRHCEOWMQWBQPJ-SJORKVTESA-N 428.493 0.521 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)cn1C 764378312 YDLZRSOODJCZGX-UHFFFAOYSA-N 440.416 0.610 50 20 ICGD CC(=O)NC1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCCCC1 766645015 YEJZHPTXUKXALJ-UHFFFAOYSA-N 429.521 0.431 50 20 ICGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)S1 766664456 QRUXYNUEMHCMLD-AWEZNQCLSA-N 438.941 0.161 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 771212841 CQMSVISNPLXINR-FQEVSTJZSA-N 441.400 0.832 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771608659 WDXOGQAINZEBKY-UHFFFAOYSA-N 427.866 0.983 50 20 ICGD CC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 775669603 BQGBDKLPBSVYBN-SECBINFHSA-N 439.309 0.396 50 20 ICGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 782258453 ZSJAVJYSYLJYIH-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCS(=O)(=O)C1 783425990 KZCADFRQJJQYCH-NRRJATNASA-N 427.426 0.451 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 784916188 VAVUQZSXLAKTDF-UHFFFAOYSA-N 426.373 0.620 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 785329862 AGYCAZMECUVPKN-SNVBAGLBSA-N 448.457 0.900 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(C(=O)COC(=O)/C(C#N)=C/C2CC2)CC1 786677606 IMVBYJDZLCFTGV-BUOZRGFLSA-N 440.456 0.464 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 792855759 BWHBJINWOVJRNJ-FVQBIDKESA-N 446.485 0.160 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 795177685 PZYAUWYVSFMVKY-UHFFFAOYSA-N 437.503 0.119 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 803468080 QKXXWGUMHOMPEG-HSZRJFAPSA-N 439.468 0.635 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 811480400 WUISLFQIORKPKC-UHFFFAOYSA-N 434.474 0.347 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CC(=O)N(c2ccccc2F)C1 812868092 RUHGYEZVBMFCAU-LBPRGKRZSA-N 448.480 0.868 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)C1=O 812987717 OFVVVJRENHUZQO-WYRIXSBYSA-N 449.489 0.499 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)c2ccccc2c1=O 814216091 ZORDARNYQPBBMV-UHFFFAOYSA-N 443.366 0.713 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 815692725 ZKYYBBDFZDTPOA-CYBMUJFWSA-N 434.460 0.301 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 815750676 HSNAZBWTRYAMSH-UHFFFAOYSA-N 443.485 0.871 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816545581 WWCHKQSLTKASOV-UHFFFAOYSA-N 425.401 0.056 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 816828788 OSIOZAJTURLKDQ-OAQYLSRUSA-N 443.529 0.897 50 20 ICGD COc1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OCC(N)=O 915052611 QYQSZCREOKYWMH-UHFFFAOYSA-N 435.458 0.735 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC(C)(C)N2CCOCC2)nc1 915894156 FGKPAPJOHDKFIG-UHFFFAOYSA-N 428.559 0.849 50 20 ICGD CCCC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 917981501 IUMJWKZOGGFUFC-YOEHRIQHSA-N 433.461 0.556 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)c1ccc(-n2cnnn2)cc1 921303342 ZJXJCUQKMDHNFT-IJEWVQPXSA-N 430.494 0.149 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1 1115906444 PLXQXHYWJZXXLJ-UHFFFAOYSA-N 436.476 0.626 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CCN1 1780776731 FNKSTWCZUPJXEL-ALYFQZSWSA-N 434.306 0.717 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1781528721 BUPLDVFDDVMYNG-FHRFECMSSA-N 442.346 0.369 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]3C2)CC1 1783849770 IMCPJSLDSBYJRN-BZSNNMDCSA-N 442.988 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1783870205 VYUOANBPCHAIDB-LPHOPBHVSA-N 444.937 0.787 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933266 GBCCRIKTBIMNLB-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1N 1783934073 WQWFUJJFEJMRGM-NRFANRHFSA-N 435.500 0.533 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)[C@@H](O)CCl 1784091825 ADFLWSJTRVLLAS-MVWHLILJSA-N 427.841 0.493 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785328976 LKWSGJUUWHGOBZ-TZANDKBRSA-N 442.875 0.507 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)ncn1 1785639647 JRKXUHGACBSGLK-MJVIPROJSA-N 441.282 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccccc3N)[C@H]2C1 1786907030 CRKLOMSEYDGXMN-YBDVPCCLSA-N 443.548 0.635 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986644 SYLMAHDOTWVCNW-NDXORKPFSA-N 440.280 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nccc2[nH]ccc12 1787334389 IZTWOJJZBJWGFI-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787508926 TUKNZNUDEJNDIG-RPIBGLMYSA-N 426.477 0.404 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1789861606 GIACKCXGHLFDDO-YXWQFLTLSA-N 433.896 0.700 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793803617 HYBCYHDDKAYVKB-CWPLJXCYSA-N 425.602 0.830 50 20 ICGD COc1cc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736791 GXVIBVRCXJBGEE-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nn1C(F)F 1796191941 SXEAIIIPVPWOCN-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1796585271 SHTOLBYHHADPOQ-AYDFFVQHSA-N 443.342 0.764 50 20 ICGD COC(=O)C12CCC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)(CC1)CC2 1797266586 DOAHVXHXHFOKLU-YFQBQFEZSA-N 442.940 0.689 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)n1ccccc1=O 1797935529 JQNWCOOTXRKZTI-GGUBGCTKSA-N 430.274 0.689 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439037 AKXNKWLIOZTVPS-FVCCEPFGSA-N 438.326 0.968 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)N(C)C)C2 1799217673 BHDIHCNVGQWADF-BTTYYORXSA-N 432.433 0.860 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2)[C@@H](F)Br 1799347673 UPOYDKGRBLMWJO-RDBQEKCUSA-N 426.246 0.852 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801014279 KDDJKAAQOVIRES-WRWGMCAJSA-N 440.324 0.265 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1CCOCC1 1806696549 BWVWDVDAYVWFNY-FPOVZHCZSA-N 437.305 0.508 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369156 BTXBTJRVYPICIQ-NQIIRXRSSA-N 439.321 0.896 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809507451 BLJWUWYCRKOQKQ-GGXPGOJBSA-N 438.488 0.171 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971519 YNDZKKHOYYDSMO-IBGZPJMESA-N 428.338 0.784 50 20 ICGD CN1CCC(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809977281 DAWGQZUMZLIAMR-UHFFFAOYSA-N 427.354 0.553 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1 1810308087 IVKTZUJPZOLSGA-HNAYVOBHSA-N 436.472 0.704 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1810541851 SZKSAHKKMMAXHI-CRAIPNDOSA-N 427.599 0.984 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067622 AXUZGNBZJLXWLX-XLIONFOSSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)C(C)(C)C)[C@H]1c1cccnc1 1813067808 DUMAWTONQUEUKF-VDGAXYAQSA-N 433.553 0.867 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1817738438 WNPFOHMXNBMQRE-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1820160138 FXDLHNGQJZZHRO-MWLCHTKSSA-N 439.570 0.505 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829864895 GEYXCTOLBLFPBS-IFIJOSMWSA-N 434.331 0.141 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738297 MUISYIVSJAGCRF-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(C)c1O 1830738643 RIWIRVMLFBJAHM-UZLBHIALSA-N 426.897 0.679 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1831873135 BETAKZUATXQVBS-KRWDZBQOSA-N 432.525 0.376 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400734 LASABUKJKCXKAB-YVEFUNNKSA-N 445.314 0.227 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835495802 WSROYLLNVKQROG-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844049 COWYLQMGRXXEDK-QZTJIDSGSA-N 430.977 0.727 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931073 FEHODCKPZLGHPG-HAOIVFDCSA-N 442.321 0.183 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)c1c[nH]c(=O)cn1 1836140204 CZGQKXOTEBAUCK-OAHLLOKOSA-N 444.305 0.646 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839145386 GGJPZXNVKYXFMB-AUUYWEPGSA-N 442.900 0.187 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199404 OAESDHKBMLOZIT-DYVFJYSZSA-N 449.321 0.415 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839668475 UKBBXSOQGWZCOW-KUHUBIRLSA-N 442.900 0.425 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839955926 ZJQPXNFMFQAWFK-DYESRHJHSA-N 440.924 0.948 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839964314 NMPRJLNGTNQNGR-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840152016 UNWSSXCCAUWSNT-SJCJKPOMSA-N 432.930 0.358 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840152411 HQIRDFRBZLJKSO-ACJLOTCBSA-N 444.941 0.739 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184337 HKQWDSHZRVILGW-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc(C)c1C(=O)O 1843014723 UEWWDMJHXADNKB-UHFFFAOYSA-N 436.273 0.812 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844692621 QUXLEUOXKAVNGM-OAHLLOKOSA-N 447.448 0.784 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 14894375 SNLZGUROISMUMQ-OAHLLOKOSA-N 437.497 0.887 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726379213 ICNBSTTZVDNTOL-LBPRGKRZSA-N 437.449 0.749 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)n1 728732553 OZGWOGHILRKJRL-NSHDSACASA-N 444.473 0.379 50 20 ICGD CN(CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)OC(C)(C)C 729220996 GTYNBKDMLQEMFD-UHFFFAOYSA-N 428.515 0.791 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)COc2ccc(F)cc2)CC1 729611921 ZAGGQWDLVMGTEG-UHFFFAOYSA-N 444.467 0.832 50 20 ICGD CC(C)(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1 732247838 MRQRSFCHUPECQC-INIZCTEOSA-N 426.539 0.783 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cnn(-c2ccccc2)c1 733108880 PUTYSVDGLWTDAZ-IBGZPJMESA-N 440.504 0.347 50 20 ICGD COc1cc(OC)cc([C@H](O)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 735683055 MEYJEGLEEGIKSY-GOSISDBHSA-N 444.492 0.774 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)cc1 747279368 YLIDJWFHVDZQPD-UHFFFAOYSA-N 427.385 0.539 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1OC 750288418 HYYGYSMWYJBLMK-UHFFFAOYSA-N 441.466 0.146 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc2c1=O 753561887 DRPIINUVEGKEQZ-UHFFFAOYSA-N 433.446 0.133 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 753817462 KYVNJDXZPNQWBZ-UHFFFAOYSA-N 425.555 0.432 50 20 ICGD O=C(COC(=O)Cc1cc(F)cc2c1OCOC2)NNC(=O)[C@H]1COc2ccccc2O1 753873005 BPCKHTDEWCAMNT-QGZVFWFLSA-N 446.387 0.765 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)COc2ccccc2F)cc1 755863456 LCHDWFKDOLOPDS-UHFFFAOYSA-N 432.408 0.889 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc(F)c1F 755966709 PYOUPBZHXBYMMM-UHFFFAOYSA-N 433.414 0.552 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c1 756298371 VUEOUGZZJTXXIP-UHFFFAOYSA-N 435.462 0.930 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(N)=O)nn3)CC2)cc1C 757403561 BOYVLYYWAXYVSM-UHFFFAOYSA-N 432.506 0.736 50 20 ICGD COc1ccc(N2CCN(CCNC(=O)NNC(=O)C(=O)Nc3ccccn3)CC2)cc1 758720690 WEJXLQUDUKZXRN-UHFFFAOYSA-N 441.492 0.181 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C1(C)CC1)N(S(C)(=O)=O)CC2 761013271 RVNHUFZSWRHALA-AWEZNQCLSA-N 425.507 0.900 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 762370030 DDEMSRWPDCLYPN-UHFFFAOYSA-N 442.505 0.684 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763837601 JKDFQRUZGSJKKW-UHFFFAOYSA-N 439.407 0.979 50 20 ICGD N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 764003108 YPZAGUFXMSQSKI-CQSZACIVSA-N 442.453 0.871 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764040705 JWCJTKOYDRPBIP-UHFFFAOYSA-N 426.473 0.970 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764239733 RAQFOFAFQAJUKY-MRXNPFEDSA-N 447.451 0.633 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 765320529 OOWHJYLBEINCBQ-HNNXBMFYSA-N 432.481 0.559 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)C1 768273247 ASPOFZROCPMEEF-ZDUSSCGKSA-N 435.506 0.908 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)N(C)c2ccccc21 769842927 RMFVNLZFEKPLSS-UHFFFAOYSA-N 427.442 0.776 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nc(COc3ccccc3)n[nH]2)c1 771375995 IGOZRYCAKNJCGA-UHFFFAOYSA-N 444.473 0.931 50 20 ICGD O=C(CCn1nc(O)c2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772889583 QZIQHAJJTUNRNX-UHFFFAOYSA-N 443.847 0.609 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)C2=S=C3CC[C@H](C)CC3=C2)nn1 773498911 FIWHQFBKLOUXFI-NSHDSACASA-N 439.501 0.895 50 20 ICGD O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 773648336 SZXGNUZHOQACDN-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)cc1 777765604 WUVPDKNBOLDSMZ-UHFFFAOYSA-N 442.538 0.855 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)nc2ccccc21 782889337 ZJQBBKPKOSHZAZ-UHFFFAOYSA-N 438.419 0.926 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNc2ccnc(Br)c2)c1 784836906 BMGAMJASANLJGP-UHFFFAOYSA-N 432.231 0.712 50 20 ICGD CCn1nc(C)c(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 794393480 RYFOIZNZCNWBEA-UHFFFAOYSA-N 426.521 0.668 50 20 ICGD C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 799717648 IUKTZMWGVPWVEB-CQSZACIVSA-N 446.367 0.950 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 802443396 YRVPEUUPQZBGFW-UHFFFAOYSA-N 434.474 0.263 50 20 ICGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 810385836 BFPZFCWUSCONEM-UHFFFAOYSA-N 438.400 0.804 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 811678301 VFFHLOUYMYLJQF-UHFFFAOYSA-N 435.568 0.957 50 20 ICGD Cn1c(=O)c(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc2ccccc21 813834453 ALXPSNXWPAVPHJ-UHFFFAOYSA-N 442.501 0.976 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc[nH]3)CC2)o1 915061054 SKFLUYHWMLRTLV-UHFFFAOYSA-N 438.462 0.646 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 915259242 LPAAOTFDZPABGO-UHFFFAOYSA-N 444.473 0.630 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1C 916516997 RWWWMVVVYRDFQD-UHFFFAOYSA-N 447.517 0.692 50 20 ICGD Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 918204408 COMSWUKYEKWRJQ-UHFFFAOYSA-N 431.416 0.532 50 20 ICGD CNC(=O)CCCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 918235403 NWKMGDZOLBLDIU-UHFFFAOYSA-N 436.476 0.859 50 20 ICGD O=C(NCCc1cccs1)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 920832927 PGRXFPJCSSOKAU-UHFFFAOYSA-N 444.560 0.924 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778509904 XCAVUTURDRVHKU-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779120700 RGDNRJPXWTVBOX-LIRRHRJNSA-N 426.901 0.950 50 20 ICGD CNCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780097101 QBLBKJSESVMOTE-NRFANRHFSA-N 448.476 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSc1nc[nH]n1)C2 1782177728 APXFPWNPVMIINL-PBFPGSCMSA-N 431.946 0.665 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784181046 JNNLGIWXTBAZOQ-XLNZFTOWSA-N 449.511 0.932 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(N(C)C)c3)[C@H]2C1 1785557151 BIXVWACFTDMXFA-SNRMKQJTSA-N 446.552 0.114 50 20 ICGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1F 1786978756 QUJJLKNFYDZRRK-VDGAXYAQSA-N 440.280 0.721 50 20 ICGD Cn1c(=O)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)c2ccccc21 1787447467 XTKJUZSWDWPONV-YFPWBOGZSA-N 438.887 0.854 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1)N1CCN(C)CC1 1788763574 RDMFQKFITWBPFP-XWSJACJDSA-N 440.661 0.454 50 20 ICGD CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726691 NCTXMMTVSZIAHP-FHWLQOOXSA-N 431.537 0.722 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)[C@@H](F)Br 1789925182 BSOGWDMMUQPMJM-FTYOSLGDSA-N 449.195 0.762 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccc(OC)cc3)C[C@@H]21 1791251084 UUCXDUYYFSFUIZ-BHNDVYRESA-N 440.924 0.962 50 20 ICGD O=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)CCN1 1791656681 WXOVTISHAVSVAT-INIZCTEOSA-N 435.289 0.640 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1cncn1 1791856485 KSKAQHJHISXRLX-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)C1 1792964236 RDLKQVQAQKCVAE-QKDZRIPBSA-N 431.327 0.950 50 20 ICGD Nc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)sc2nccnc12 1792977680 ZMKGPRYOFCKFJQ-WYFGTUCQSA-N 425.898 0.076 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)c1ccccc1 1793431681 FPUBHZLNWBPAIS-REPLKXPHSA-N 443.548 0.770 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795860914 KUYQHJYVTGEIDK-PSKFDLRZSA-N 443.414 0.148 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1SC(=N)NC1=O 1796421662 BLAYNPJOORGBBQ-DQYMBCKPSA-N 447.355 0.163 50 20 ICGD CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1796890040 WAECUIMQPOYMKB-LSOZKBPJSA-N 439.476 0.998 50 20 ICGD N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797753057 RXYNXSNHGYDOCX-HGKCTWBKSA-N 434.456 0.074 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nnsc1C1CC1)C2 1798440538 ZTYXMDLIEVNJJN-CLLJXQQHSA-N 441.517 0.980 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)C)C2 1798521684 TXMNWIGSTPQMBD-FTUNRGFVSA-N 449.460 0.740 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1799274260 ULNATIJWBMKHKJ-YHYOWMERSA-N 434.280 0.617 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1804622365 XUENROCPNZRHOZ-DENIHFKCSA-N 447.304 0.286 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cccn1 1807374805 NLGNRBOUEXLOHS-PBEJRMEISA-N 447.304 0.539 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1812914507 VIYSKHVUILKVBP-KKSFZXQISA-N 440.504 0.875 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2)c1ccc(B(O)O)cc1 1815337956 YAIXZTKVGGHTEI-LLVKDONJSA-N 429.292 0.214 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnc1 1817474604 VYFWZJNHHMKKAA-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819513523 VCPRELFZLRKSAW-GLQYFDAESA-N 449.899 0.610 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)ccn2C)[nH]n1 1822415088 SFORVDWSCCSELD-INIZCTEOSA-N 443.508 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826118447 ABGDENHSKMROLB-JTQLQIEISA-N 443.551 0.246 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719530 FQQMIBZINULUOT-DNVCBOLYSA-N 427.885 0.150 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723887 SRKKCKHUYZFTKV-VQIMIIECSA-N 430.860 0.261 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733063 DCECOOIOFZSQQP-LPHOPBHVSA-N 425.844 0.367 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833246505 IIXREIXLZUHMDQ-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)[C@H](O)CCl 1833313607 MMGIYWBEUAGGSE-CHWSQXEVSA-N 428.730 0.848 50 20 ICGD C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833475545 FNTACWBFVRRWDE-QGZVFWFLSA-N 443.353 0.143 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1833865487 VHGLINIMGFPEFZ-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835628444 RFOOISPOFKMHMB-XHDPSFHLSA-N 435.250 0.326 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837001213 VVUSBZDZBNBSJN-NRFANRHFSA-N 443.353 0.073 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837105715 AFBBSCFVQTUKPF-MGPUTAFESA-N 436.896 0.887 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837305533 DCBSRXDQWXQYTA-NZQKXSOJSA-N 442.321 0.205 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838801598 GZLPZXVVDDHFGX-SFHVURJKSA-N 427.530 0.088 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150206 FOEPIURJXKLYIA-ROUUACIJSA-N 438.352 0.548 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839152215 RCOUYSWDRVTAHD-LSDHHAIUSA-N 427.354 0.306 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839197722 GOSWBMHKMZPZOJ-CZUORRHYSA-N 433.278 0.489 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839199097 JBQVZGQWFVKMOX-GOEBONIOSA-N 433.278 0.338 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150504 MXJVDRBQNDWFSR-UZLBHIALSA-N 425.913 0.968 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccc1 1840186695 CULZDPWWOBAUMX-MBSDFSHPSA-N 446.548 0.620 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487728 USQPTLCLVUDDJW-IMBDGTDHSA-N 439.310 0.730 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C[C@@H]2CNc3ccccc3O2)C1 1844219531 SQWBSHMCTVPANY-GOSISDBHSA-N 435.289 0.447 50 20 ICGD COC(OC)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038351 SRLVECKQVYQREZ-UHFFFAOYSA-N 433.509 0.155 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846229604 NRVOJRCOCIEQPN-NJSLBKSFSA-N 445.944 0.550 50 20 ICGD Cc1nc(C)c(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(O)n1 728214909 USXVEJGCRQXUTP-UHFFFAOYSA-N 434.522 0.421 50 20 ICGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cnc12 728847329 AQNQMDWSFQPERY-UHFFFAOYSA-N 435.488 0.949 50 20 ICGD COc1cc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCC(F)(F)F 729276274 AUPIZQDHADZNTI-JTQLQIEISA-N 441.428 0.654 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)cc1Br 732240710 ZZVWYXCRGWQIQR-UHFFFAOYSA-N 429.271 0.651 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 732259897 ZQVWPYAYGUOLAA-CYBMUJFWSA-N 426.901 0.904 50 20 ICGD CN1CCN(C(=O)CCNC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 733883792 BVYSALBHEIWLOF-UHFFFAOYSA-N 438.532 0.937 50 20 ICGD O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734677026 HRJBRDYMBWTODQ-MRXNPFEDSA-N 440.522 0.611 50 20 ICGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 741646488 IUIYRMATZYHUNW-UHFFFAOYSA-N 436.837 0.726 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 743256639 NXIVPUAPMDHIFA-UHFFFAOYSA-N 435.384 0.768 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 743841903 DZIRHAXCZAPMLZ-UHFFFAOYSA-N 431.408 0.722 50 20 ICGD CS(=O)(=O)c1nc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccn12 744856559 MSUMTOUOTHROBK-UHFFFAOYSA-N 441.425 0.227 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 747324385 BPVRHTJGOMVKJF-UHFFFAOYSA-N 438.893 0.760 50 20 ICGD COc1ccc(C(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)c(OC)c1OC 747845322 NUYKANJKMVUXSA-UHFFFAOYSA-N 436.509 0.664 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCc3sccc3C2)nc1 755860396 ZDNTXTKEFHDRDM-NSHDSACASA-N 438.535 0.796 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 756248964 RAAFBABFZSUXIT-CQSZACIVSA-N 437.497 0.287 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NC1CC1 756713757 YJMSMDXEIBXDOS-GFCCVEGCSA-N 444.535 0.332 50 20 ICGD O=C1NC(=O)C2(CCC(=NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)N1 758091266 CDLAPHZWQFUBOI-UHFFFAOYSA-N 433.490 0.709 50 20 ICGD CN(NC(=O)c1ccccc1OCC(N)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758788156 XNYSGWZNJPNTIP-UHFFFAOYSA-N 435.481 0.800 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)C(C)C)c1 763820630 LVGXWDGCDSPYPH-UHFFFAOYSA-N 433.202 0.820 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c(O)c1 764111465 WYZNDFKNXLLGAN-UHFFFAOYSA-N 428.445 0.876 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1F 764152215 CIKUWJSXZUPJNK-INIZCTEOSA-N 435.433 0.460 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1N1CCCC1=O 764275699 QWHMEHYFJAZQST-UHFFFAOYSA-N 442.428 0.693 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc(Br)c1=O 764365760 AAWIXJMQRRPMPG-UHFFFAOYSA-N 437.250 0.451 50 20 ICGD CCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC(F)F)cc1 764818298 TYIRMSHILINISO-UHFFFAOYSA-N 434.403 0.966 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)OC)c1 765376145 NJXYTMWDBCYMSC-UHFFFAOYSA-N 441.510 0.643 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNc1cnccn1 766256417 JCXQMTPTSWKMNG-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)COc2ccccc2OC)(N2CCOCC2)C1 767760839 UKIKIGZTMMGZTK-UHFFFAOYSA-N 436.509 0.674 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)nc1 769738826 MVMPYBZZJQAHKI-UHFFFAOYSA-N 429.252 0.332 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2c(C)nc3ccccn23)s1 771950713 UTRIJCXKMUYZOP-UHFFFAOYSA-N 436.519 0.935 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 777755935 FIDRXGXENVMHND-CQSZACIVSA-N 445.476 0.844 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2F)n1 784004201 KJBKDZAVOALRGP-UHFFFAOYSA-N 442.407 0.737 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)n1 788141595 CWTYSGLFDIJSBH-UHFFFAOYSA-N 448.871 0.724 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCc4cnn(C)c4C3)cc2)CC1 798982166 FCHBAYCJHARQSP-HNNXBMFYSA-N 432.550 0.604 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 800629134 MKVFIDCQDGTVQS-UHFFFAOYSA-N 436.774 0.989 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C3CCCC3)ccc2F)CC1 800841033 PGIMVWBOWLOPEW-UHFFFAOYSA-N 440.497 0.630 50 20 ICGD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)N1CCCC1 801146037 LIVAWOVREAEWIK-UHFFFAOYSA-N 446.201 0.891 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)nn1C 815565443 OCUDWTZLWKQLQW-UHFFFAOYSA-N 438.444 0.867 50 20 ICGD O=C(NNc1ncncc1F)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 815763812 BMJSANBOBZTUFI-UHFFFAOYSA-N 427.440 0.984 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c2ccccc2c1=O 849201890 CLHWNOIIJNNLFZ-UHFFFAOYSA-N 428.449 0.242 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1 913484350 CCQSKYCKHDCBQJ-HNNXBMFYSA-N 448.501 0.566 50 20 ICGD O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 914677242 SLYWCKPCKUTVBL-MNOVXSKESA-N 432.311 0.356 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 915906070 GSYWDWICVAAWCZ-UHFFFAOYSA-N 433.465 0.659 50 20 ICGD O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 918023379 OSIYRXPBNMJWHG-INIZCTEOSA-N 445.340 0.468 50 20 ICGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 918108481 KDUBUBZCLYPGEO-GFCCVEGCSA-N 440.503 0.908 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(F)cc2Br)cn1 918342273 UQFUKYGCXUTVIY-UHFFFAOYSA-N 434.247 0.061 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)NC1CCCC1 920826419 LLTLYBIPHHVVNH-UHFFFAOYSA-N 438.506 0.300 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 1116298392 OOGUQGGZCJWLBM-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1321911277 ZMDLJSPVXOATCD-GASCZTMLSA-N 436.509 0.956 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1 1326396560 HGIJNSQNIUGKPX-UONOGXRCSA-N 429.539 0.996 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1I 1327802590 RXILDSUDLFCNCH-UHFFFAOYSA-N 438.185 0.748 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1328880510 LJICUFZBBLBYKG-LLVKDONJSA-N 442.437 0.147 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034757 UOHOBGONRLJVFW-OYHNWAKOSA-N 441.488 0.600 50 20 ICGD CCc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)co1 1779826228 JYAXPIWHSDXDFG-IIBYNOLFSA-N 435.525 0.738 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1780616134 PHPKLYZIBVRJGP-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD COc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1781187599 IZWORADYBFQKEU-DNVCBOLYSA-N 441.868 0.576 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781498170 HSJYQCDIBIBTBJ-IQUTYRLHSA-N 442.900 0.329 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1)NC(=O)NCc1ccccc1 1782936987 KTHQYIWJGYVWED-SPEDKVCISA-N 447.511 0.521 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1783877592 LASSBCUBLMAVKN-DJJJIMSYSA-N 426.901 0.622 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1783933573 QQXVTAHSEPACBT-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD Cc1ccncc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933615 RWKPRGFUSMQFGE-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936040 QLJYNOFKAKHHEQ-KKSFZXQISA-N 432.525 0.085 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1783937355 GRTIHONAICMNIR-WMZHIEFXSA-N 428.533 0.919 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccccc1)CCO2 1783937689 NBPXZAMJPBYQBM-YDHSSHFGSA-N 428.533 0.993 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)cn3)C[C@@H]21)[C@H](O)CCl 1784090334 ZPKZJDOKDRWBOP-DJIHRAIXSA-N 436.818 0.688 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785000506 RDTJOTVHPUUIRD-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@@H](F)Cl 1787450697 UVXNNGJBQSOTDA-TZQJONAQSA-N 430.820 0.271 50 20 ICGD CC(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726594 CDUOJWFYUQNMDQ-UFYCRDLUSA-N 445.564 0.968 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@H](F)Br 1789921996 ANLDDTFOUGMMGL-HVTMNAMFSA-N 448.249 0.462 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1791036819 MKCYKASFKINPIC-PUKVIBKPSA-N 447.919 0.476 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2)[C@@H](O)CCl 1792975136 KUZQBUDRBKZLSK-PKRADWSKSA-N 449.935 0.224 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793631595 GCGSRWOGZLTOHN-YIDVYQOGSA-N 445.944 0.839 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740883 LHXWRZJSDWSZQW-DFYYWFRZSA-N 426.278 0.041 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796187946 ONDJPVUXWDRJHE-NLZFQLSBSA-N 442.321 0.598 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 1796565393 GDYMYDFRWLQNJS-HLPPOEQASA-N 425.869 0.325 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958903 XCGJQBZQHNHCQT-JJHQXXDFSA-N 427.292 0.564 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1803696085 WTKQNYFUMLMFLH-BJLQDIEVSA-N 440.972 0.782 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccco3)C2)CC1 1804887910 VVDOTBLDPHKEGL-IBGZPJMESA-N 426.278 0.538 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnc1 1807360160 ORFXRAWESNMRHQ-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363697 FKJIMYOESAECON-HGWQEYRNSA-N 439.321 0.488 50 20 ICGD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369689 RWNKQZYWLZSSMP-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807374487 HNJCYCXZNHOOAW-XMSQKQJNSA-N 447.304 0.355 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1808777296 DFUUCGIAPKUZKM-LLGFUMIMSA-N 444.536 0.081 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811593798 WAVQTOMKZMOKCR-YWZLYKJASA-N 444.492 0.255 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1813034339 IDUOTZABWVTBOE-NXOAAHMSSA-N 443.953 0.918 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1 1813069813 CCMZAJOVXUPUMO-VGSWGCGISA-N 439.520 0.493 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813297712 MAKGLDCQVHSOMK-AVEGBXRASA-N 445.288 0.518 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1813330602 PIHOOYDQPGYCNW-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1)[C@@H](O)CCl 1814872968 IHIYAMAJEMHRDR-OCCSQVGLSA-N 445.867 0.718 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354576 JMGBRMWPEGOYBT-KHIZAZIESA-N 430.339 0.422 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cnsn1 1816166882 YXKXJABXTBDAQH-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470322 OLKBSRBVVFVMOR-IRWQIABSSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCO2)[nH]n1)c1cccc(B(O)O)c1 1817474687 GIBAJKVGEGPYKL-ZWKOTPCHSA-N 426.282 0.965 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cncn1 1817479223 KUAAYDYQKJKMAZ-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824884521 GPHGMTGCPONBFW-OAQYLSRUSA-N 443.353 0.468 50 20 ICGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1)C(=O)O 1825641422 HOLNDFUXBKAMOR-NQMVMOMDSA-N 433.328 0.901 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058607 YIQNGNGFWSQRQB-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c1 1827229218 SQIRZMCYNOFIJF-NRFANRHFSA-N 438.337 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827651452 YMAXQVQBSWDVKG-HNNXBMFYSA-N 449.512 0.924 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN)CC1)NC(=O)NCc1ccccc1 1830166210 UPAIYZQSBTUVTK-FQEVSTJZSA-N 444.580 0.911 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1830543915 HOAYQWCQQQXPQU-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544469 ZAQXVJRDEHXFNT-KBXCAEBGSA-N 443.342 0.679 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727915 KMQOWGVPCOARGH-NQIIRXRSSA-N 449.891 0.610 50 20 ICGD O=C(CCCc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738819 UUQABYSTAZPYJU-YLJYHZDGSA-N 425.913 0.460 50 20 ICGD Cc1oncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834240688 YIOWOADLRGMWLS-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n(C)n1 1835953878 BOEMEZDFMMGICM-GOSISDBHSA-N 425.961 0.767 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836886354 AIWJMXLOBSAHAW-KKSFZXQISA-N 446.353 0.386 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199408 OAESDHKBMLOZIT-SUMWQHHRSA-N 449.321 0.415 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839200409 HJGDXHDAKOMDQW-WBMJQRKESA-N 448.293 0.620 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839553261 PJZHTMNUQKTNBV-QRWLVFNGSA-N 436.896 0.658 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031179 HXSRHBBZQZVRDU-GUYCJALGSA-N 429.315 0.756 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1840156563 VGUGMTASQPQGSH-FXAWDEMLSA-N 442.944 0.600 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1840156583 WNARZRKXXIBVIX-BXWFABGCSA-N 428.917 0.229 50 20 ICGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187821 ZFPPDNPERYKSBH-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840454738 QPJPLOFOOBPHOS-RIFZZMRRSA-N 441.912 0.559 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 15096822 DEWWUHSWZMUDMW-MRXNPFEDSA-N 439.515 0.229 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 21199783 TVNFKIDQBDUNFG-JOCHJYFZSA-N 432.440 0.797 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)NCC2CCC2)cc1OC 727866423 HKQNRQKQATUONC-UHFFFAOYSA-N 430.552 0.668 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(F)cc1Br 728515371 BBPSRPUNNBFEKC-CYBMUJFWSA-N 429.246 0.476 50 20 ICGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1ccc(Br)cc1Cl 728793827 MLUQOMMEJAHCRV-UHFFFAOYSA-N 429.749 0.761 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(N2CCCS2(=O)=O)c1 728848176 YKVKDRFFGKWZCI-UHFFFAOYSA-N 444.517 0.694 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)Cn2ccc3ccccc32)cc1 729667759 WZNFIBVZPZFVBM-UHFFFAOYSA-N 430.442 0.465 50 20 ICGD O=C(COC(=O)C(=O)NCCCc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 732337574 MSPLWKDBHWQGOP-GOSISDBHSA-N 441.440 0.266 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(N)=O 733646152 LRZICEIGFAJLFO-UHFFFAOYSA-N 438.444 0.889 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)c3ccc[nH]3)cc(-c3ccc4c(c3)OCO4)nc21 733949158 DMGKQFUNNJBEEX-UHFFFAOYSA-N 448.395 0.833 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CSc2nnnn2C2CC2)CC1 734824859 KFXMKLRVIRGUAL-UHFFFAOYSA-N 440.530 0.830 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 740851886 ZZSOUONFWPYMKE-XLNAKTSKSA-N 443.504 0.242 50 20 ICGD COc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)sc(C)c1Br 742576438 BSYPTVXGHPIUFM-SSDOTTSWSA-N 426.314 0.959 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)CCOc2ccccc2)CC1 747108243 OJCPVPUGOCBKGT-UHFFFAOYSA-N 449.508 0.865 50 20 ICGD C[C@@H](NC(=S)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 751620584 XEWCTDILBAKXMA-GFCCVEGCSA-N 442.563 0.810 50 20 ICGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 753439576 QEGYFUZSZMMSRE-UHFFFAOYSA-N 433.273 0.620 50 20 ICGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 755972875 HHHVDLPWKOINJC-UHFFFAOYSA-N 444.517 0.932 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1OC(F)F 758905938 DDGTWZGTLGKDLJ-UHFFFAOYSA-N 437.359 0.208 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763569781 BPOLCNBXKXBVIU-KRWDZBQOSA-N 443.412 0.554 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764034627 SPJOANWDSHHWHY-UHFFFAOYSA-N 440.503 0.001 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C[C@H]1CCCO1 764344943 MFUUCNBADUMLOI-OAHLLOKOSA-N 435.481 0.375 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 765533828 HYITYIMUFGBZDA-CQSZACIVSA-N 438.469 0.872 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3CCN(C(=O)N(C)C)CC3)CC2)cc1 766650510 UWQVMEMRYXDLRO-UHFFFAOYSA-N 444.580 0.654 50 20 ICGD COc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 767851714 SVMNBMLEPQCJAL-UHFFFAOYSA-N 449.295 0.962 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770958977 UXSDFWBMYOGDKI-NSHDSACASA-N 445.571 0.791 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(C)cc2O)C1=O 771249539 IJMPPEYUMCLJHE-NRFANRHFSA-N 426.429 0.937 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccnc(Br)c1 771537777 QFMOUUPCSTVPLT-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 776619304 OUUVTMNKXXZZOG-UHFFFAOYSA-N 447.521 0.245 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)[C@@H](C)O)cc1 779540660 BYIDJSLJZHEHLG-YGRLFVJLSA-N 433.412 0.975 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(Br)cc2)c1 783005961 KIXAWSJPTKGMJN-UHFFFAOYSA-N 434.250 0.746 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNc1ccc(C)nn1 783950756 ABVGNGQGOPOERX-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 784003870 QTMZUPXBIWDFDA-GFCCVEGCSA-N 432.458 0.432 50 20 ICGD O=C(NNc1ccc(Br)nc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 784811538 IWTCOGJMYMQCSD-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc(C(F)(F)F)c1 792117552 SVSQXGCBIKBRSD-UHFFFAOYSA-N 448.379 0.861 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O)cc1 792538170 APJOVLWUKGDIOR-BLLLJJGKSA-N 436.446 0.392 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 794086700 VSKBLGIYRPNJPM-KRWDZBQOSA-N 447.517 0.380 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc1OC 796992638 USNDYAMRWQJHBK-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1S(N)(=O)=O 797628093 SQXJDMDSTXDBSX-UHFFFAOYSA-N 435.462 0.722 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 799856318 AIDMLBXPBZTWGN-UHFFFAOYSA-N 434.522 0.887 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnccn1)N(S(C)(=O)=O)CC2 807956399 QKWIYTMSESAXET-MRXNPFEDSA-N 433.490 0.893 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cnn[nH]1 810353899 WZWOJRJEDXOETE-HNNXBMFYSA-N 448.530 0.819 50 20 ICGD Cn1ccnc(NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1=O 810470959 XJVPBWPNUBHOPV-UHFFFAOYSA-N 439.803 0.874 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(O)nc1 863950069 PXUGXFWNAHAORB-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCNS(=O)(=O)c3cccnc3)n[nH]2)cc1 917178146 AYENPGGNBKFOFV-UHFFFAOYSA-N 428.474 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cccs3)CC2)cc1 917934148 XFKSXDOPEAURLA-UHFFFAOYSA-N 436.559 0.753 50 20 ICGD CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883859 GAMYJBOULLEJMR-CYBMUJFWSA-N 426.495 0.113 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 920032645 RGUXTYDSPCKSPG-HKMNZKMDSA-N 438.488 0.451 50 20 ICGD CCNC(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920849887 WAKAWXLTHINIFR-VQCBNXJZSA-N 438.488 0.982 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1317723830 ROISOCYHWUMRML-CYBMUJFWSA-N 432.955 0.554 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)c1cc2n(n1)CCCNC2=O 1778915953 HJIKLQBNTNXMQZ-SPYBWZPUSA-N 441.891 0.679 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)n1C 1779032210 GTAGEGWEIIAPQC-JOCHJYFZSA-N 440.504 0.398 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1779085877 QZQFFKIQJBYTPU-WOJBJXKFSA-N 442.582 0.449 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H]2F)C1 1781635134 IZDDEONXBGEIIU-RUPBUSRUSA-N 433.484 0.992 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783342475 JCJRHWZPQBVBQK-ACJLOTCBSA-N 442.310 0.305 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783538700 ZCTSVWFQEOTBQR-SJKOYZFVSA-N 427.299 0.728 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1783881463 MQGFDOQPKSIBBF-OXJNMPFZSA-N 439.944 0.416 50 20 ICGD COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1783936841 VKHBHHOQIRCRSX-FQEVSTJZSA-N 437.472 0.046 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937374 HITJSDIEQHQDCD-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785338539 JEGLBHSVKMJWCA-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921862 ZNIUUFOITRTUBG-ZPFDUUQYSA-N 429.308 0.091 50 20 ICGD Cc1cc(F)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1790037051 OBHALBDITHSPKF-NDXORKPFSA-N 440.280 0.721 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293336 WPTGUJZNEZLWFU-XUXIUFHCSA-N 433.347 0.123 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3CCNC3=N)CCC2)cc1 1791599957 NSMHLZHWOLRKQX-UHFFFAOYSA-N 429.525 0.333 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(Cl)ccn13)C2)[C@H](O)CCl 1792977457 VUGPXFUDRSQFQG-YHYOWMERSA-N 427.288 0.791 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)n[nH]c1C 1798015330 ZWLFTTDRNFONES-OBAMXFLESA-N 441.492 0.364 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804808595 SUNDWWZQOKDKAZ-QRTARXTBSA-N 431.880 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670938 LOUBTASDSBQHMP-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncn2C)[C@H]1c1cccnc1 1805817726 JSDLQFANUQKPHK-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncc(F)c1 1805846132 PPXIUNDQOSPXBT-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805914491 WXUCVXKXAALWOI-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806123442 CZTJAEKMUJXJLP-DYESRHJHSA-N 447.256 0.348 50 20 ICGD C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCCN1 1807365080 IPFLWDBJSQVKRO-QMHWCDLVSA-N 436.321 0.223 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809815344 NVSJLKMJBOWPNH-ZIAGYGMSSA-N 431.375 0.841 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978820 UPQCSBNMXFTSEG-SSEXGKCCSA-N 434.367 0.370 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1810303714 VCQIWWJBVAMWBK-MGPUTAFESA-N 448.487 0.366 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336806 FOKXSNBAQQNCOV-FABXCBLPSA-N 431.323 0.456 50 20 ICGD Cc1nn[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797129 MQJRCGIKMYITNA-VIFPVBQESA-N 441.477 0.108 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826619601 YJVORMYMPUZRNJ-FQEVSTJZSA-N 432.326 0.263 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1830245746 MLPSKIUIYQOLFV-RTBURBONSA-N 441.016 0.986 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353932 MXAWRQMMKXTWJY-KRWDZBQOSA-N 431.946 0.915 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830538383 DYFYMXRFIUSCFS-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n[nH]1 1830543619 WNKLORHZEHYJKE-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833450762 XAVQTCMXWLIRPI-DOMZBBRYSA-N 440.969 0.420 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)o1 1833901112 RBVSFGDPXCOMPV-WBMJQRKESA-N 449.277 0.501 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835832048 XVYRFUXIAUJSQB-YOEHRIQHSA-N 428.961 0.503 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100087 HGOBOMHKNGDUMZ-BBTUJRGHSA-N 445.004 0.486 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150805 XYILSAUWTQZVKH-FSPWUOQZSA-N 438.352 0.594 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197373 SKKSCCILHUDGJB-HEHGZKQESA-N 435.246 0.460 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532430 FGSZYXVKJAQWIV-FQEVSTJZSA-N 436.585 0.751 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839966743 OKJICODHBZEGLA-WMLDXEAASA-N 429.315 0.582 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103839 VPRPKWVMUMDRLK-JXFKEZNVSA-N 429.945 0.863 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840343525 LQCBSMUAUMOYGS-NJXZNGPYSA-N 431.262 0.570 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841962196 UQQALSCXJZVIFJ-XNWJVHIKSA-N 443.410 0.673 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129496 USIOWTPOUWAXJN-SNVBAGLBSA-N 445.339 0.686 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265400 YIXUQRLCZCDBRK-UHFFFAOYSA-N 425.493 0.095 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1846070894 KMAOZBKMDUPVQK-QWHCGFSZSA-N 438.326 0.972 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 15245298 HZMVTGZQSVZYNX-UHFFFAOYSA-N 447.878 0.397 50 20 ICGD COCCCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 727031056 HNKRWLTVWXZADZ-UHFFFAOYSA-N 428.559 0.895 50 20 ICGD COc1cccc(COCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728328040 DSCGWMUSCNEGTB-SFHVURJKSA-N 430.413 0.742 50 20 ICGD O=C(COC(=O)CNC(=O)OCc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 728331526 BSPCMENNYYPFJX-QGZVFWFLSA-N 443.412 0.443 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 728510701 RBDGTLVVLPPMCV-UHFFFAOYSA-N 435.430 0.819 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728844724 BRZTWNMYQAAENI-UHFFFAOYSA-N 432.506 0.405 50 20 ICGD O=C(NCC(=O)N1CCc2ccccc2C1)NNC(=O)C1CCN(c2ncccn2)CC1 728955059 GAOLRMUGVTXNCD-UHFFFAOYSA-N 437.504 0.608 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(N)nc(Cl)c2)CC1 735118301 QYEKRTBTYDWDRR-UHFFFAOYSA-N 425.902 0.405 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H](C)CN1CCOCC1 739058035 BNLALNQIDAZOJM-ZDUSSCGKSA-N 426.543 0.200 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 741273665 DXDJHSNFUGPITE-UHFFFAOYSA-N 436.494 0.226 50 20 ICGD CCCNC(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 741373285 HBNMWLYSTUUMHE-SFHVURJKSA-N 441.440 0.971 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 741645544 AFAUMBIUUPKWAK-UHFFFAOYSA-N 429.476 0.121 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743821149 WVONUUQCGVQIOR-JHNDHUHGSA-N 432.502 0.954 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744582567 RYOAEUKSSFGEHF-UHFFFAOYSA-N 444.469 0.403 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc(OC)c1OC 747323193 MCNVKSHDYLMOOZ-AWEZNQCLSA-N 428.445 0.850 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 750279525 GHMDLDRZYUHNBS-CQDKDKBSSA-N 446.416 0.463 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=S)N[C@@H](C)C2CC2)CC1 751620613 KNJPDRLFKYSVCV-JTQLQIEISA-N 429.568 0.986 50 20 ICGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(S(C)(=O)=O)cc1 753277019 TWQFUNCSHAWYJC-LBPRGKRZSA-N 438.531 0.948 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)nc1 753694599 HSDNTJWPZKRQBG-CYBMUJFWSA-N 448.571 0.162 50 20 ICGD CC(C)CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755531508 DMEUNVARVCVQFQ-ZDUSSCGKSA-N 432.524 0.351 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 756293531 IDAMHRDBKHNXLX-ZDUSSCGKSA-N 445.501 0.980 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2coc(S(=O)(=O)NC)c2)cc1C 756402210 DSWLEEQALSPNRL-UHFFFAOYSA-N 429.476 0.738 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C1 757392542 PSJHDSSHVZGBHJ-CHWSQXEVSA-N 432.506 0.999 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1 758746729 YGLKAIIPUMVNAJ-ZDUSSCGKSA-N 430.502 0.985 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782639 UWBCLYAJZMBXJA-UHFFFAOYSA-N 447.496 0.509 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)/C(=C\c2ccccc2)n2nnnc2C)n1 760803668 GUCAMXXFJYDPAX-OVCLIPMQSA-N 441.473 0.678 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763812119 CWKOCGFYABQYPJ-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)n1 763892219 BSRMYNFPHYQLTG-UHFFFAOYSA-N 447.927 0.691 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc[nH]2)c2ccccc2O1 763979141 IIPQJKWUEKDAKE-QGZVFWFLSA-N 427.461 0.875 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc2O1 764297959 JUGFTLJNNDDASX-KRWDZBQOSA-N 442.476 0.578 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)n(C)c1=O 765727520 JUJKMOWMNDACGH-OLZOCXBDSA-N 430.852 0.038 50 20 ICGD CC(C)Oc1cncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 768094142 NQVHWRMAEDMCPW-UHFFFAOYSA-N 434.522 0.957 50 20 ICGD Cn1nc(SCC(=O)NN=CC(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)c(=O)n(C)c1=O 771098575 RLEORQUHUOXWAG-AWEZNQCLSA-N 448.505 0.760 50 20 ICGD COCCO[C@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 773958477 DBVFILPAURVECH-ZFWWWQNUSA-N 429.901 0.455 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777778145 YRWCMWUXFZQGMM-UHFFFAOYSA-N 439.353 0.671 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 778292397 QZKHWGAQDMGRSB-UHFFFAOYSA-N 430.494 0.671 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccn(Cc2ccccn2)n1 789811122 USWDIXAKOJNFLH-HKUYNNGSSA-N 434.456 0.985 50 20 ICGD COCc1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 794741313 LNWGTBVWRQSVTM-UHFFFAOYSA-N 440.503 0.385 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)sc2S(N)(=O)=O)cc1 798696466 GCBYDIOWECKGAK-UHFFFAOYSA-N 431.879 0.975 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 805768722 FGCPIZLMPVVZDT-LBPRGKRZSA-N 442.416 0.470 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)COc3ccc(Br)cc3)ccnc1-2 806973856 MIYFYLZRMSXJQF-UHFFFAOYSA-N 447.249 0.269 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccc(Br)cn2)ccc1F 807005281 DBALQZCLYABMJR-UHFFFAOYSA-N 446.258 0.973 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(Br)cc2)n1 814255699 ANATXWBXRFIQFB-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c[nH]c(C(=O)O)c3)CC2)cc1 814877135 JPQJZBJVDAQCME-UHFFFAOYSA-N 433.490 0.478 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 818027545 ZASBNHWGKNJVIF-UHFFFAOYSA-N 425.898 0.935 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 913341338 UAGQQCDXJBPILF-UHFFFAOYSA-N 449.485 0.538 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)NC(C)C)cc(C(C)C)nc21 914445779 DPBCQWFPAVGUNK-UHFFFAOYSA-N 432.481 0.562 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914749437 BJDLMGDWBHFPDY-UHFFFAOYSA-N 432.458 0.786 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccc(N2CCN(C)CC2)nc1 916245598 KZQHKKDPSUYSQC-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD CCNC(=O)COc1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1OC 916388881 LDQRPPZUDDJYHK-GOSISDBHSA-N 428.511 0.091 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C1 919650720 JXEBGUNKOJRPTA-CYBMUJFWSA-N 431.898 0.706 50 20 ICGD Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 919896923 OSFKUMSYXLDPIJ-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212672 SZDNZMRAWOYWIM-LSDHHAIUSA-N 443.501 0.167 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)Cn1cnc2ccccc21 920424566 FHEJWIZLTHTAGG-UHFFFAOYSA-N 446.445 0.461 50 20 ICGD CN1C(=O)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 1318799690 TYDHUQADEWJQRI-KDOFPFPSSA-N 439.424 0.667 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1cccs1 1779033718 CDEFMJFQTRVKEN-SPLOXXLWSA-N 443.529 0.994 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1780127710 FMYSJWKMJQBAAL-IFXJQAMLSA-N 430.860 0.886 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1780789199 RYIRWJNBMHLCEO-PMUMKWKESA-N 430.343 0.906 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)cc1 1781332931 ADMQXCHSRCLIET-CXAGYDPISA-N 428.258 0.920 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782179861 NUXLXBJLJTWYDS-QABNGEJJSA-N 434.917 0.370 50 20 ICGD CC[S@@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214175 HAMXGTIJYQOMIH-IURTXMEQSA-N 444.598 0.032 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626421 WNXOMGRXECSYLO-QTVXIADOSA-N 430.343 0.523 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1783877114 VGONLTURGAMUBE-IFXJQAMLSA-N 433.933 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1783936237 JGHAUOTWPBNGRV-HXUWFJFHSA-N 436.488 0.243 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1783973416 ALONSWRLTHZIPN-AICCOOGYSA-N 430.343 0.523 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784685426 PTISELRXLLWVFV-BXKJMJEDSA-N 441.318 0.288 50 20 ICGD Cc1onc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1C 1784772442 LLZSTWDYLDSWLB-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)n[nH]1 1785839067 HIRYTXIMLVXXRB-HUBLWGQQSA-N 427.299 0.991 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789870617 QRIUWUHKACECKC-PYOGLGTISA-N 438.352 0.354 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)[C@@H](F)Br 1789924851 FFEPUIMWCVDWHU-PJSNJIKXSA-N 441.319 0.234 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1791257801 UFKLIJUWQPLYPA-AVPFTGKPSA-N 428.913 0.563 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CNC(=O)N(C)C)CCC2)cc1 1791595268 DNVJJUZXCUKTJM-UHFFFAOYSA-N 432.525 0.765 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C2CC2)on1 1792704333 BWCJKONNFXJOKU-IVWMJMPLSA-N 440.460 0.068 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(OCCCO)cc1 1798540448 VZXWJFJFLCQFEZ-MVJTYMMSSA-N 426.897 0.251 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)cn1 1800757686 ODMQFLFJBBOWPC-IKVITTDRSA-N 440.294 0.855 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1800976911 LHMAYABNUUARPJ-AHXJXLJNSA-N 433.896 0.929 50 20 ICGD CCCc1onc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011486 PHANRGJRZRQZCG-YVWYUNDQSA-N 435.525 0.512 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340833 OAAZNJMSHZIFDR-CJNGLKHVSA-N 432.340 0.917 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1807196674 NIFWAIQMOQXYLV-MXYBEHONSA-N 444.305 0.371 50 20 ICGD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369318 GDEFYJWSIHBOSM-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1 1810298635 KUTNIMDEBOEZOH-UZLBHIALSA-N 448.487 0.296 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072803 FQGMVXZUYGAZEN-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813297634 KDJVLEBWXDAHOU-VIXOANNKSA-N 445.288 0.518 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813333689 FMILMMWRVFUMTL-HTAPYJJXSA-N 442.520 1.000 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1813460182 QBGVTSIQDWIYSC-PGRDOPGGSA-N 441.536 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820162527 KUEXHBSLXMRDLS-CQSZACIVSA-N 447.398 0.900 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1821996929 PFWUMBFBLXOOPH-INIZCTEOSA-N 440.265 0.349 50 20 ICGD O=C(CCn1cncn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822680323 BXMXZHABLKVMJQ-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)CC2 1826006554 JUANMIFRWHKBKH-IHRRRGAJSA-N 444.001 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccn(C)n2)CC1 1827143291 QWKWPSNNTUTOCW-IBGZPJMESA-N 432.569 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccnn2)CC1 1828926321 FXINSLBQZLJPGF-GOSISDBHSA-N 440.508 0.210 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1830332400 BYRNEFCCZSNMMA-OLMNPRSZSA-N 438.352 0.594 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1830537352 DOXQACYKBHZKJH-QFBILLFUSA-N 446.386 0.960 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733759 SOOYUJHTXLFARJ-KDOFPFPSSA-N 449.287 0.421 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831181344 CBSWWCURUYTEMT-SUMWQHHRSA-N 434.331 0.143 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1832931229 MURBQOJNQMQEIF-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833023693 SJWGVTVUBRFJCN-KDOFPFPSSA-N 446.957 0.489 50 20 ICGD O=C1Cc2cc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)ccc2N1 1833310097 HZUYGJUSKBBHKD-IBGZPJMESA-N 448.951 0.966 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1833501827 DKIXTNZCCIOWLT-LJQANCHMSA-N 426.901 0.820 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638191 YCYLPSCFGHHYGV-LJQANCHMSA-N 445.004 0.534 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834820358 ZWQWTDSKNKEBKK-DDKKJVIOSA-N 444.326 0.086 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnn2ccncc12 1835403791 LYLPJIIJADLBGC-SFHVURJKSA-N 434.928 0.514 50 20 ICGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)[C@H](F)Cl)CC4)CC3)CC2)CC1 1836377493 XSBKWNICNIESJC-SFHVURJKSA-N 443.995 0.872 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1)[C@@H](F)Br 1836413827 NJZSGXUHVOKSFM-OAHLLOKOSA-N 431.310 0.540 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837813361 DQAAOPAJXXGGEH-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1837922106 MEKUGEBMNDBBHV-KRWDZBQOSA-N 430.310 0.015 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840034405 JUVYENUKKBFAPU-MEDUHNTESA-N 447.717 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1840156649 RQVQFMBUWCDGPH-UWVAXJGDSA-N 431.961 0.569 50 20 ICGD Cc1cccc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185495 RQBJCOGRYPJDGD-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189673 GAOLWQGUQDKYNX-KRWDZBQOSA-N 446.266 0.742 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cc1 1840190832 PRCZSDUBNXRSRZ-SFHVURJKSA-N 430.288 0.659 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)ccc12 1841350470 DTJZSPJLDVYDHJ-OAHLLOKOSA-N 434.880 0.928 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1)c1ccccc1F 1841352943 VZJSQCMUKYHAPF-VQIMIIECSA-N 425.888 0.980 50 20 ICGD COCc1oncc1C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415903 AMFJREVMFFLHCR-YDZHTSKRSA-N 428.449 0.772 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1844915764 QIELQQOGYLHMMF-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825179 ALSVDIIQDNUMET-NSHDSACASA-N 427.255 0.743 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1COc2ccccc2O1 1848074496 OYJNOHHIFQDGHM-TXPKVOOTSA-N 437.456 0.341 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 12800198 DKDWRNCTBOKOEZ-UHFFFAOYSA-N 439.519 0.734 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccc(O)c(O)c1O 254444345 NMXNPWKITYWSKN-UHFFFAOYSA-N 449.485 0.907 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3ccc(F)cc3)cnc21 727099260 ZIBWTXXKYYLZDF-UHFFFAOYSA-N 437.229 0.422 50 20 ICGD CN(C)N(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 728161823 OSHXXWVWRPGESZ-LLVKDONJSA-N 439.353 0.959 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 729397337 VUAGCOKIJSQLBT-CQSZACIVSA-N 447.473 0.781 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)Cn1ccc2ccccc21 729450494 XXZJRUGAQDTSJE-UHFFFAOYSA-N 425.470 0.918 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 730095487 GOSPQDYCXDIKAC-UHFFFAOYSA-N 445.505 0.175 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730541095 KSWVXSLJHHBEIX-ZDUSSCGKSA-N 444.469 0.450 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC(C)C 732465082 DRUGPJFHPMGJLX-HTXNQAPBSA-N 431.449 0.953 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNc1ccc(-n2cccn2)nn1 733045726 RPZCERUAZKRVEM-UHFFFAOYSA-N 430.441 0.553 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 735583694 BCBZLDAJTRLXKK-UHFFFAOYSA-N 448.549 0.825 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1 741215606 IYMLSFVKMSVUSD-CQSZACIVSA-N 428.534 0.919 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2 742034011 ISDKZOGAJSBZEA-SNVBAGLBSA-N 425.536 0.715 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 743529057 NWKZNOUTXBZIJF-ZIAGYGMSSA-N 427.527 0.925 50 20 ICGD CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744789130 DHWXQYRSPAETDC-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746097177 NDOPEOQICRZXCG-STQMWFEESA-N 441.326 0.774 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc[nH]3)CC2)cc1OC 747662975 SIQYOZRAKSZLKL-UHFFFAOYSA-N 436.490 0.894 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OC 748213651 CNQOLPHSYIHUDS-UHFFFAOYSA-N 431.405 0.872 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNC(=O)c1cccc(Br)c1 748627222 IBFJQECSZPUAKJ-LLVKDONJSA-N 431.287 0.561 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)c1ccccc1 750215648 GIAFPCKMFUMYJK-UHFFFAOYSA-N 431.879 0.684 50 20 ICGD CCn1cc([C@H]2C[S@](=O)CCN2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cn1 753813256 TZSFOVXXWAZBPH-RKXCMPKHSA-N 449.533 0.487 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c2ccccc2n1 754777718 PATIOPTVPDSMLV-ZDUSSCGKSA-N 443.485 0.470 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763432096 YMTYYVYUNCHWMQ-SFHVURJKSA-N 438.440 0.101 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(C)o1 763576256 JETCFHLCSIAMKT-UHFFFAOYSA-N 434.474 0.497 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2O1 763675483 XKYMGWZJIGXPDA-KRWDZBQOSA-N 438.396 0.052 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763728380 MSPKXKMFSLZESY-UHFFFAOYSA-N 439.472 0.480 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763757818 JTFFSPWOKKTHGI-UHFFFAOYSA-N 433.490 0.914 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1SCCC(N)=O 763807920 RSJWCADSOHWBKC-UHFFFAOYSA-N 441.469 0.691 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 763878601 RRLBEBUDHQYDOB-CQSZACIVSA-N 426.433 0.861 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cn2)C[C@@H](C)O1 764169330 VEBPUPGRSSKMEE-HBUWYVDXSA-N 439.472 0.785 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764564479 UWNIKOVTIRCKQO-OAHLLOKOSA-N 444.467 0.659 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)n[nH]1 768281791 PKTJCCSSOFXFEW-UHFFFAOYSA-N 434.412 0.962 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nccc12 768462064 IQWXHAWEUPLVOQ-HNNXBMFYSA-N 428.426 0.483 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCn2cc([N+](=O)[O-])cn2)nc1 769225873 OBTPGPGCLBGZLF-UHFFFAOYSA-N 426.459 0.543 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 771607277 LJKIBBKUDXSEEN-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 775849305 LGDYFGPRNQFLHS-OAHLLOKOSA-N 437.453 0.581 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778530615 CRETYTYODUCVPF-UHFFFAOYSA-N 435.418 1.000 50 20 ICGD COc1cc(C)c(Br)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783424882 GGJXHPYPIZUPPB-HNNXBMFYSA-N 434.312 0.903 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Br 783428023 VXDCMCWCCDEEOF-OAHLLOKOSA-N 434.312 0.984 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)n2)cc1 784003922 FOJFFBIVKROQRN-UHFFFAOYSA-N 440.416 0.049 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(Br)cn2)cc1-n1cnnn1 784341119 KQNCOCAIKVOHGS-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cc1 784834111 VWAFTGKRUXUHAY-UHFFFAOYSA-N 442.432 0.947 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 784915386 MSAAXNZPKMZKJV-UHFFFAOYSA-N 447.492 0.733 50 20 ICGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 788491729 GMQFDBSRSIVZEW-UHFFFAOYSA-N 430.486 0.404 50 20 ICGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)COc2ccc(Br)cc2)c(=O)c1 790466448 NWXMBSPGSGNTTR-SFHVURJKSA-N 438.278 0.897 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 792798033 LAVKCRQDIGDTHP-UHFFFAOYSA-N 436.446 0.662 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794066405 ZKYSBRSOEOZJEX-UHFFFAOYSA-N 426.433 0.668 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc21 795168997 HQVQDIBBPARFDU-UHFFFAOYSA-N 431.474 0.717 50 20 ICGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368511 CAAOUQIXPILOPK-UHFFFAOYSA-N 443.416 0.877 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1OC(C)C 799262042 JOHCPCKIFYGHJH-UHFFFAOYSA-N 446.416 0.369 50 20 ICGD O=C(NNc1cccc(F)n1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 806171680 RQAFSNHFFXRIGG-LBPRGKRZSA-N 443.482 0.835 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cccc(Br)c1 810448978 BVCGUHKSJBIQAJ-UHFFFAOYSA-N 431.268 0.793 50 20 ICGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccc2ccccc2c1 812874992 KSYWOSWRQIFYOM-QGZVFWFLSA-N 432.502 0.819 50 20 ICGD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693022 JMKHCGZBKVVUKN-LBPRGKRZSA-N 440.489 0.534 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 815751990 XKFMWENYPXIVNK-UHFFFAOYSA-N 431.474 0.755 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1OC 912852093 KCYOZLWPSCHCNH-UHFFFAOYSA-N 449.489 0.188 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCS(=O)(=O)C1 918151249 MQKYKTIXZGKPAV-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920348361 KFGFBLUNHMUHJZ-HNNXBMFYSA-N 426.495 0.221 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(CN2C(=O)CNC2=O)c1 920934272 RNPZPUGADOCATH-UHFFFAOYSA-N 425.401 0.976 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1777985013 VUSAIGSRFLIESZ-SPYBWZPUSA-N 428.606 0.799 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778885253 IHMCDCSMAQGOPZ-ZHRRBRCNSA-N 427.505 0.897 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779559234 BIAVXKOAQHCGFW-MJXUCMMTSA-N 448.358 0.435 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1781233150 QBDHYFOVHXNWDV-KCXAZCMYSA-N 427.350 0.630 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(C)C)[C@H]2C1 1783659395 JYKZJUIPQNWWKQ-VYOPWZLOSA-N 433.509 0.525 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783952152 PEHAIHAUDBBFTJ-CQSZACIVSA-N 426.347 0.480 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@H](O)CCl 1784096474 HZLDRQPPHJUNFK-JWDCEHBHSA-N 440.880 0.396 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784584628 PSXRJRBLWPXITM-IVZQSRNASA-N 441.488 0.600 50 20 ICGD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785223422 PSSLABOLHRBFFV-KKSFZXQISA-N 447.875 0.159 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)s3)[C@H]2C1 1785460176 QVPZNIYGPLBPIU-IHRRRGAJSA-N 426.514 0.854 50 20 ICGD O=C(CN1CCCC1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1787914095 GWFKWMLJTPDVMT-UHFFFAOYSA-N 435.289 0.737 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1)C2 1796440947 FUBHOFPOSQQPGM-CUCQEMJRSA-N 437.500 0.953 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1796586431 HJZOAGWBEBHJRI-ZFHGCVPZSA-N 433.336 0.969 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(B(O)O)cc1 1796766234 ICRYECIAVQQAAM-LRSLUSHPSA-N 433.317 0.333 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cn2ccc(Cl)cc2n1 1797105499 RQBCYQUMLIZHMF-VAECKANCSA-N 427.288 0.791 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1804195082 SQVGIYZEJHTMTK-BHYGNILZSA-N 446.932 0.352 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccns2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360568 CICGEVYVUBKFTI-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363304 ZFLLEDWYSCBMCA-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303902 WBOOWTVGXMFKAC-KDOFPFPSSA-N 449.475 0.140 50 20 ICGD CC1=C(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCO1 1815341374 YAWGVBOBNPTMKV-AWEZNQCLSA-N 427.291 0.743 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2CCOCC2)n[nH]1 1817180809 FDCGDZVTKCYQRM-KRWDZBQOSA-N 449.556 0.497 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479832 UFECQQJVPBOUQH-QGZVFWFLSA-N 449.276 0.617 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cnc[nH]2)n[nH]1 1818005720 MPGAVRUXGBZDKZ-MRXNPFEDSA-N 437.464 0.680 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410731 RTPQFNIGTFJYOX-OAHLLOKOSA-N 435.529 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccnn2)n[nH]1 1822755276 FJVUGQJEMYCYJR-OAHLLOKOSA-N 444.496 0.644 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829534337 XYRCEJNDPZESFO-SCLBCKFNSA-N 433.839 0.684 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1830219218 CAISIPIXIKPZGF-BEFAXECRSA-N 447.315 0.989 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCBr)CC1)C(=O)C(=O)O 1831163456 PYOILQMIIDLMOI-AWEZNQCLSA-N 446.342 0.934 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831471739 VTOGISFEOYNJOB-KRWDZBQOSA-N 434.331 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854207 FNBWTEOAGUDRNF-FXAWDEMLSA-N 443.903 0.864 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cnn1C 1834426136 PTDPRXMBGBYESK-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)c1ccccn1 1834822428 NDZREEQSYIQPSA-WMZOPIPTSA-N 441.326 0.323 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973453 HFDRMBRTENWWRC-SFHVURJKSA-N 444.992 0.844 50 20 ICGD CC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837664361 AZYWVECOTFRERM-UHFFFAOYSA-N 430.310 0.348 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838048448 XMSGJVOOCUZHQO-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1838528888 FMRPZYBNLUGXIO-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nn1 1838832497 QALRBTOGIRRIAZ-KRWDZBQOSA-N 433.292 0.749 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n[nH]1 1839151560 WEFXPXDZYLFTID-MSOLQXFVSA-N 447.319 0.919 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652326 ZZNRPHYDSDPDMW-BEFAXECRSA-N 426.901 0.589 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839653681 XPBZPLBGCAOFJY-RDTXWAMCSA-N 434.990 0.334 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840156750 YZQWFTZUWZBYFF-GLJUWKHASA-N 436.889 0.258 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316130 FMNWGJMBZKFREY-GPMSIDNRSA-N 447.315 0.430 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)n1 1840336654 ITHAFHCHZATWHM-RXVVDRJESA-N 439.940 0.687 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840809047 JLUMLINFGAGPPZ-VQIMIIECSA-N 432.851 0.563 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)cc1 1845938229 AFMRVOUTYMXPDN-INIZCTEOSA-N 428.938 0.826 50 20 ICGD CCOC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 21770871 WVZLENUDOXUDQG-UHFFFAOYSA-N 439.494 0.304 50 20 ICGD O=C(CN1CCN(CC(=O)Nc2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 23664084 NWFKUQPMLJITPA-UHFFFAOYSA-N 440.460 0.612 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 728729973 XMGHLNPAYTZOFU-CQSZACIVSA-N 434.449 0.877 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(N)c(OC)c1OC 728730175 YOXLUHWBAIOIFE-UHFFFAOYSA-N 438.462 0.606 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)n1 728730831 XNFASLAIMWSCHT-UHFFFAOYSA-N 446.894 0.299 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 729510803 NKKIKANGLGLFFQ-UHFFFAOYSA-N 436.538 0.586 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 730511809 DPQVMKAZECBQRY-KRWDZBQOSA-N 436.424 0.909 50 20 ICGD COc1cc(OC)c(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1Cl 730569150 QGLICEMYGFDOHM-UHFFFAOYSA-N 441.897 0.782 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNC(=O)c2c(F)cccc2Cl)c2ccccc2c1=O 730584614 WVHISGFSZABZAX-UHFFFAOYSA-N 431.811 0.917 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1C 730672205 CKSZEWXIJJCUFO-UHFFFAOYSA-N 430.552 0.391 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 732260747 HOBFOJPYQWRYTP-GASCZTMLSA-N 427.523 0.367 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)N2CCc3ccccc3C2)n1 740977439 SGWPLLHGUGWBRM-UHFFFAOYSA-N 445.501 0.453 50 20 ICGD COc1cccc(C(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1O 743316484 BWCGMOHCXREXPH-LLVKDONJSA-N 432.458 0.679 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 743580369 XXOXZQYWBRKAJU-BZUAXINKSA-N 441.513 0.965 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cc(C#N)ccc3F)nc2)CC1 745893349 SCQPSJGZFNPRRV-UHFFFAOYSA-N 447.496 0.855 50 20 ICGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(F)cc1Br 746973438 SWJBMKIRKMLBJY-UHFFFAOYSA-N 425.280 0.860 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 754513307 QVPTXJHDCDEIBC-HKUYNNGSSA-N 435.477 0.310 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1 755268168 DFTWEDWOFUULQS-HMWXGYMHSA-N 437.547 0.812 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755289711 RYLXCZLRGMLUCA-QGZVFWFLSA-N 433.490 0.546 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 756517068 VOYCZYQQGVFKHT-UHFFFAOYSA-N 433.462 0.931 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1OC 756548330 PHNMGTSBMAKRGU-RHSMWYFYSA-N 425.507 0.506 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 758034635 HUGSULCWKZMHOZ-JTQLQIEISA-N 425.492 0.023 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 758058824 YJZVGMPVALUBFH-SSDOTTSWSA-N 431.824 0.641 50 20 ICGD COCc1nc(C)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 759610412 UDTZHKUHRCOLJV-UHFFFAOYSA-N 431.518 0.817 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C2(C(=O)NNC(=O)c3cccc(C#N)c3)CCC2)c1 762193629 XVIQTLGGZTWBSO-UHFFFAOYSA-N 430.424 0.822 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1C 763733782 HIHHFFKTXNGRKP-UHFFFAOYSA-N 438.897 0.469 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 763735577 KZVIUYQKHXEZNP-UHFFFAOYSA-N 432.502 0.964 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)N2CCc3c(F)cccc32)cc1 763738685 WLCWSNHOQQJUDO-UHFFFAOYSA-N 448.476 0.491 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 763980535 XBWSLVCAWOFOFJ-UHFFFAOYSA-N 433.490 0.979 50 20 ICGD N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 763999946 YAFWBXJARSKAHX-AWEZNQCLSA-N 442.453 0.871 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c1 764132154 PGCRWHLVNFUEIN-UHFFFAOYSA-N 428.445 0.782 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 764203710 BFECCXCJHYEZEY-UHFFFAOYSA-N 445.929 0.162 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C)cn(C)c2=O)cc1Br 764327332 XPUJSDXLPGHETG-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Br)ccc1N1CCCC1 764424737 KTIKVPBAGNPUJE-CQSZACIVSA-N 441.282 0.551 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n[nH]1 765586419 FMJSSHBVWYBVGI-UHFFFAOYSA-N 427.870 0.467 50 20 ICGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 767460625 GFIIAOAZBDTZPV-UHFFFAOYSA-N 446.489 0.631 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 768244818 NKBZKBNXANLWBO-BETUJISGSA-N 427.523 0.894 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCN3S(C)(=O)=O)n[nH]2)cc1OC 768277910 TXBVKNGMIFQXGU-AWEZNQCLSA-N 437.478 0.279 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 768642112 ZIQAWRITAHRZOM-UHFFFAOYSA-N 426.476 0.039 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 770239240 IRCULLRZGYXLEH-ZDUSSCGKSA-N 443.620 0.998 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 771985122 NJLFFUNIYDWUKW-VXGBXAGGSA-N 437.449 0.554 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1 772045569 RHSXENIEPAWIGI-JOYOIKCWSA-N 430.255 0.029 50 20 ICGD CN(NC(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776213715 QJEPXNYUHJFQGT-UHFFFAOYSA-N 449.472 0.423 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCCCS(C)(=O)=O)cc1 776262463 DEQUFEWOYYJYAG-UHFFFAOYSA-N 448.567 0.161 50 20 ICGD CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NN(C)C(N)=O 778411204 AVLYPYWCSBZUDD-IINYFYTJSA-N 447.945 0.777 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 778438003 JTIQXJUEJBNWJU-UHFFFAOYSA-N 426.495 0.661 50 20 ICGD O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 780327112 XGHHGMJVTBAVEK-AEFFLSMTSA-N 445.497 0.836 50 20 ICGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@@H](C(=O)OC)C1 780350897 NZIJPRZLWCSNMG-BXUZGUMPSA-N 441.868 0.536 50 20 ICGD N#Cc1cccc(COc2ccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)cc2F)c1 782967147 RQODPNNJPPXKTI-UHFFFAOYSA-N 439.403 0.641 50 20 ICGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@@H](C)O1 783996025 AYLRUCJFRWRAFB-GASCZTMLSA-N 431.493 0.004 50 20 ICGD O=C(NNc1ccc(OC(F)F)cc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 784307098 CYXLLLCJXMKSAX-UHFFFAOYSA-N 438.391 0.425 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 784852274 UEJQJPXNRTVXQY-UHFFFAOYSA-N 425.401 0.607 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 787541211 ODYAQYSWUZKXEG-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 788894974 BBTYQLUFWWGORL-CYBMUJFWSA-N 427.527 0.528 50 20 ICGD O=C(COC(=O)Cn1ccc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 790719721 HDUSWYCSJIOMPA-GOSISDBHSA-N 437.408 0.532 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 792777865 NSPRZFDYGNZNAX-UHFFFAOYSA-N 435.462 0.091 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(C)c1 796991679 HCGGOOSAFKCROS-UHFFFAOYSA-N 444.444 0.537 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNc1ncnc2[nH]cnc12 810422798 AVKQESDTJLIRIO-UHFFFAOYSA-N 431.356 0.673 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 812728472 MBCJCCGRAZZAIG-UHFFFAOYSA-N 431.474 0.852 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1C 813033506 WTWAPAKDKYILDJ-UHFFFAOYSA-N 438.510 0.478 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc(C(=O)OC)c1 815568563 NAXAWTLFASSPMC-QGZVFWFLSA-N 427.413 0.709 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(N)(=O)=O 915594420 ORXGOLYNLSFQAX-AWEZNQCLSA-N 439.421 0.012 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCOC[C@@H]2CCCO2)c1 916209722 RBKMOIWQIPPULV-HNNXBMFYSA-N 428.511 0.467 50 20 ICGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919687023 MKNWXVZWGCBDSN-UHFFFAOYSA-N 440.522 0.021 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c2ccccc2c1=O 920928561 QDUSFZQJYRKMFG-UHFFFAOYSA-N 449.427 0.939 50 20 ICGD O=C(NNC(=O)c1cccc2cccnc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1318065618 XHLMJGPXOOEJMV-ZDUSSCGKSA-N 429.458 0.161 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777713016 IWHYIDKBVKAHEP-NRFANRHFSA-N 428.493 0.379 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777909051 HODBGZASHSMABS-QHCPKHFHSA-N 436.273 0.154 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778008392 HSHMXEUATUVQQS-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154273 VJHGBXWNBBUDTR-GUYCJALGSA-N 432.315 0.690 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccccc1=O 1779270794 RRGSDEFVYOCXFL-HACGYAERSA-N 430.274 0.930 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529037 WVOGRLLQMDOIIO-QFYYESIMSA-N 427.255 0.402 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779938651 QLFDRIAFIWGWAY-JLTOFOAXSA-N 449.584 0.555 50 20 ICGD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)=Cc2ccccc2N1 1779984098 SCLGTXUWYFGHCC-DYESRHJHSA-N 433.892 0.842 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(O)n1)C2 1782210870 UQAXQHCTAAEZOW-IIBYNOLFSA-N 433.509 0.288 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783376517 YSSFGLAFBQUJJT-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1783936000 ZSKHFGBARJPACD-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094965 XGKFMAZISDTLOW-WBAHDQRJSA-N 428.913 0.321 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1784095067 CIUQXGUZGFTKIW-YLJYHZDGSA-N 426.897 0.641 50 20 ICGD CCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786236473 MGAIPFIBEIZSAQ-IWEFOYFVSA-N 442.476 0.143 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnoc1C1CC1 1786291543 DGGNBHVNFXXSCD-SNRMKQJTSA-N 439.277 0.139 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1)c1cc(=O)n2[nH]cnc2n1 1788137125 YMGKIPMXHXIQRM-AWEZNQCLSA-N 430.852 0.765 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1C 1789562256 QPMBGFFXSKDDBR-BVSLBCMMSA-N 436.317 0.890 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176527 XLCNJZYRACRZCY-JHZZJYKESA-N 433.933 0.827 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790961137 XKILZFGYHPAKJP-FQKPHLNHSA-N 447.374 0.847 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793322176 QLXUDYPAQTXXLS-OPDFLTKYSA-N 425.345 0.184 50 20 ICGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nc2ccccn12 1796191100 ZFDUKRDARPACOK-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CCn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cc1C 1798920083 GNKDTPDJXUJMGD-QDMKHBRRSA-N 425.493 0.776 50 20 ICGD C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799098846 JBSFRNYRSQRMFN-HATOLVCRSA-N 441.532 0.336 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1800333190 RVOOSNXNZWTDSP-AHHPBITISA-N 442.426 0.753 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1800978311 RUPUKPNTKPMOFD-LFSVMHDDSA-N 449.733 0.640 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)C(C)(C)C)[C@H]1c1cccnc1 1803080130 ULDROPSNBVFIJT-AHRSYUTCSA-N 433.553 0.867 50 20 ICGD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803298411 SYJUFAKDAIJOKC-GCJKJVERSA-N 445.288 0.114 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)nn1C 1805589961 LGSMKNQFBHXGAG-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360914 MHZAHIBAFJNPGP-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD CC1=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCO1 1807362300 GBQWNXJGRJNGNU-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972578 QXSLYOLTAUTPRC-PMERELPUSA-N 434.367 0.370 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)nn1C 1815339586 IQQQIBGYLUOVGM-CQSZACIVSA-N 439.306 0.404 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360320 FRFHBYWMGUKYPA-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)c1 1821600255 NKNIMDRUEXJBIV-AWEZNQCLSA-N 435.274 0.562 50 20 ICGD COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)nn1C 1821778320 LBFTWFWIVPOUDZ-NSHDSACASA-N 449.537 0.484 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1822184268 QYXDPCDCJVTSIG-UMNHJUIQSA-N 429.319 0.778 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cnnn1 1822864405 SQROCDSKTPITJX-OCCSQVGLSA-N 432.489 0.023 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1823563863 LWWPAXNUKTUBDP-PJCOJXEDSA-N 448.929 0.498 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830543236 NPXGBBQCJVNRGY-YVEFUNNKSA-N 446.298 0.268 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)c1 1830733997 XVFJXQGCMKVXPG-XLIONFOSSA-N 426.897 0.673 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831201489 NLCRAZTXAIIMOA-FQEVSTJZSA-N 443.617 0.601 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831640584 NXCLNZPQWSCXNB-JXFKEZNVSA-N 425.913 0.863 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1831954992 ALHQNHMKSVAYHI-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1832008485 PTJJTMKCAJVFOX-XMDUPGNXSA-N 434.892 0.957 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1834120329 KKXZVWRHZNHVSN-GUYCJALGSA-N 429.315 0.582 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1834824733 KNWVSAXWMNIEQG-SFHVURJKSA-N 441.326 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836834342 LBOIMHNFNATRHC-KKSFZXQISA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981125 NQNKVGHKAXYIJQ-JXFKEZNVSA-N 440.928 0.543 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1837718016 WWJWNLFNEQEBIS-QGZVFWFLSA-N 434.587 0.112 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1838098244 OWEIUSUNKBVMMQ-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cc1C 1838152584 UHPBOGHWJVSPPK-PBHICJAKSA-N 447.305 0.972 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201725 HNGOSCFJEZSWSA-YOEHRIQHSA-N 447.257 0.858 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839967345 JWXQUJZNCBZGJP-QAPCUYQASA-N 434.375 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1840183792 AMQJGHJMAJVMPD-KRWDZBQOSA-N 438.447 0.158 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840723050 LPIAFYRZZRIANW-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)[C@H](F)Br)C3)c1 1842189465 ITDHEIVAZAOELG-LBPRGKRZSA-N 434.287 0.993 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCO1)C2)NC(=O)NCc1ccccc1 1845038665 GADFKZWAGWVMMP-GOSISDBHSA-N 429.521 0.715 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1OC 9837659 LRQKVPSEJZEKMC-UHFFFAOYSA-N 436.442 0.725 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710829 ULBPPLJUMUUDAI-UHFFFAOYSA-N 445.911 0.742 50 20 ICGD COc1ccc(CC(=O)NNC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 728607946 MTVRZVOEVIOPRN-UHFFFAOYSA-N 427.523 0.842 50 20 ICGD COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 729455404 BPPAKQBINIBDFU-UHFFFAOYSA-N 430.446 0.713 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)cc1 729455959 IUDLEZFHFOTPPM-UHFFFAOYSA-N 442.457 0.561 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 732198748 DHORCBNJROPHEX-CVEARBPZSA-N 439.557 0.724 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccc(Br)nc1 732835269 ZNNAUIHFDPOSRA-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734242163 WAPNIUKKUMHJPR-ZDUSSCGKSA-N 443.526 0.517 50 20 ICGD CCOCCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 734682484 AXTXLEPOEMHGQW-CRAIPNDOSA-N 430.513 0.743 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2Cc3ccccc3C2)c1 744886016 OYGWIZLYPFQECY-UHFFFAOYSA-N 431.518 0.897 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCNC(=O)c2ccccc2F)cc1 745721488 QKVTYOQPLABZLD-UHFFFAOYSA-N 437.453 0.995 50 20 ICGD Cc1ccc([C@H](C)[C@H](O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 745756746 NXAVRCRRRKNLOS-QMIHWGKISA-N 428.441 0.990 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccoc2)o1 747183254 ZWUNOKJEVNPJRW-LBPRGKRZSA-N 425.419 0.664 50 20 ICGD COCCn1cc(S(=O)(=O)NNC(=O)c2cc(OC)ccc2Br)cn1 747790308 FIWARGOFURYEHB-UHFFFAOYSA-N 433.284 0.924 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cn1cnc2ccc(Br)cc2c1=O 751202885 XYWIOSIJTNCWTH-UHFFFAOYSA-N 448.233 0.329 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 751203771 RYITVTDMQYVZJV-CYBMUJFWSA-N 449.261 0.972 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2nc3ccccc3c(=O)n2C)c1 752907665 RLHLYYLSEXKHFH-UHFFFAOYSA-N 443.485 0.948 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 753087087 YUOABBBJZREJRS-UHFFFAOYSA-N 429.476 0.232 50 20 ICGD CS[C@@H](C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 756870116 JWFHAPFOOXQEEF-AWEZNQCLSA-N 429.564 0.929 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2NC1=O 763570643 HGGPPXMZKMVLKZ-MGPLVRAMSA-N 426.385 0.332 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814165 QQWZVDVHOUUPQY-UHFFFAOYSA-N 438.444 0.223 50 20 ICGD COCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 763916581 GUYJXWXRTMVDJE-UHFFFAOYSA-N 448.443 0.663 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764003260 DFKNXXFRVWEEBJ-UHFFFAOYSA-N 440.412 0.810 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 764226611 JEWOBOMUYYBHQN-NSHDSACASA-N 445.929 0.354 50 20 ICGD CN(CC1CC1)S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765118423 DMXNWIMMSGZCIZ-UHFFFAOYSA-N 429.974 0.665 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2cc(I)cc([N+](=O)[O-])c2)nn1 766217839 FZYMNJVZQGTQDK-UHFFFAOYSA-N 428.146 0.845 50 20 ICGD CC(C)n1cnnc1SCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643896 MASPMYBCKBJBFM-UHFFFAOYSA-N 445.549 0.557 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 768641669 VFFUTLMXQBGCBE-NSHDSACASA-N 439.581 0.603 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 783409808 WOOGMGRLNAHGBE-UHFFFAOYSA-N 431.352 0.556 50 20 ICGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783426700 JSRABXGKSJYKGW-IBGZPJMESA-N 426.539 0.544 50 20 ICGD O=C(NNc1cc(Cl)ccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784856881 XZMCOUNIKTYMGU-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CCOC(=O)C1(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CCC1 789907508 WPTFCQFOXYTEFU-UHFFFAOYSA-N 439.538 0.584 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 790069345 ALSFPZBIIWEAHM-FQEVSTJZSA-N 440.460 0.453 50 20 ICGD COCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 792855647 APRFKYRKHMGTBT-CYBMUJFWSA-N 433.527 0.232 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 798313590 JPJQULPDMYABER-NSHDSACASA-N 439.372 0.641 50 20 ICGD CC1=C(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)[C@@H](C)n2ncnc2N1C 798972103 BCWNEBJKJRFSRR-CQSZACIVSA-N 447.521 0.727 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ncc(Cl)cc2Cl)c1 800627907 SRIZAGALVWHSDJ-UHFFFAOYSA-N 439.259 0.946 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C1 807380353 UUSDHCLJUOOPHA-IYBDPMFKSA-N 437.566 0.955 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)n[nH]1 810584033 JOLHEXHXLULSQI-UHFFFAOYSA-N 430.446 0.220 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 812995502 LEVFQCAMSHQTKA-UHFFFAOYSA-N 426.433 0.917 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C 916197303 PZIBTWMPKHZDFJ-CYBMUJFWSA-N 433.490 0.981 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1cncc(Cl)n1 916517265 ZTRMFKFABUZPKJ-UHFFFAOYSA-N 440.917 0.303 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 919887302 ZMQPGQAWVWRRLU-HOTGVXAUSA-N 438.506 0.695 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c2ccccc2c1=O 920928596 UERINRXKBOWNGO-UHFFFAOYSA-N 449.427 0.452 50 20 ICGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1116565782 WQYFXSGHGSHXQS-UHFFFAOYSA-N 432.506 0.990 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777995506 JRMRGYNGBYBBCU-IERDGZPVSA-N 448.907 0.700 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)[C@H]1SC(=N)NC1=O 1778083399 YVTPTIKULAOWKP-PZISXKGQSA-N 434.921 0.837 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCCN2C)C1 1780594862 UKJHVWBUQNPJAX-JBYIUTFZSA-N 437.585 0.358 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1783875675 SAISBPJIRPZGLN-UGSOOPFHSA-N 426.857 0.996 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786980966 HHXLVUQEVNNHGY-QSFXBCCZSA-N 442.708 0.927 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788722996 YRLWEWSQILFUQM-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)[C@@H](F)Br 1789923193 XEXDEFXQJBSJQG-GEEFMHANSA-N 432.246 0.777 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791604201 ZNRKWYAZERPWBM-XUXIUFHCSA-N 427.299 0.619 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1792868213 UGXMRLLJHBIGQO-XLMAVXFVSA-N 445.402 0.245 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1793369338 DBLVLLNCNOUWGE-DJUFWWRVSA-N 429.366 0.493 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(F)(C1)C2 1793423362 QWEDRHVRPJKOOM-KPFBYLFHSA-N 431.468 0.602 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090374 QIOIWOMCWQRYMC-LOUJCGABSA-N 440.393 0.591 50 20 ICGD O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)ncn1 1794368497 OUWLXWVHJODDSJ-VVJJBPBLSA-N 431.218 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(C)(C)C)n1 1794420969 HTPRXTIBRONPHD-CCWDJLKJSA-N 434.541 0.214 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 1795479282 YTHCWTVATHUYOR-MIFYACCESA-N 440.227 0.302 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2)c1cccc(B(O)O)c1 1795737626 CTYQRGTWOOTQGE-HBCWATKFSA-N 446.671 0.676 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2)c1cccc(B(O)O)c1 1795740634 IZTRRPJFJNHNEE-RBSOHGRLSA-N 426.322 0.396 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1 1796815877 WJIKQBIGHVONDQ-BMQTXXJKSA-N 448.527 0.651 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926250 LEFKIODEJONYEP-UMPJEAMMSA-N 436.900 0.198 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1798522402 VMHXUWLMYDRQPO-NASWQRNTSA-N 434.449 0.318 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347917 XIFJUEHNYKHASR-AICCOOGYSA-N 429.290 0.232 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1800203753 MWAODSLZDZLGBN-GGXPGOJBSA-N 448.596 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1800975875 WUPCUCXAZTUEHN-OQMKEHIESA-N 425.869 0.310 50 20 ICGD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364160 PHNQPMWUNGLROS-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808304039 PFDRMCDGAYYIOX-WWGRRREGSA-N 435.868 0.856 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809032958 RBCXIXVOUBQZBP-SNAWJCMRSA-N 443.504 0.649 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974670 ZHVYLXTVSQLDKQ-MRXNPFEDSA-N 446.309 0.773 50 20 ICGD O=C(Cn1ccccc1=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810030155 QFEFOPVBLPMGSB-UHFFFAOYSA-N 437.305 0.073 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738780 SNKVOZOFXHPONE-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762129 DLTBVRUWAXPEJX-DAYGRLMNSA-N 432.359 0.711 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831452084 MQJBPAGKZQYQQA-VKJFTORMSA-N 438.974 0.531 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1831875573 ZCZPQBGUCSLVNW-ZWKOTPCHSA-N 435.569 0.505 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833573838 OWGDDZVVUJDLAM-ACJLOTCBSA-N 446.863 0.106 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798566 LORZVYNSQHGKNB-FOCLMDBBSA-N 429.326 0.102 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1)[C@H](F)Cl 1835080501 XDKGXOGPQRRLHL-HNNXBMFYSA-N 439.879 0.137 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1835835151 QUDVILSHGDTRIT-UHFFFAOYSA-N 440.617 0.862 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1)[C@@H](F)Br 1836412791 UZMHFPGXFTYUJE-OAHLLOKOSA-N 431.310 0.540 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837001525 MOSPPWSORPYIBE-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116668 NEQAWDWYIBIYRW-LSDHHAIUSA-N 428.917 0.601 50 20 ICGD O=C(c1cnoc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920207 IEQAWIGVEAQXTH-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838912631 MDRZKVJWPQOPOI-NRFANRHFSA-N 436.484 0.269 50 20 ICGD O=C(c1ncccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200132 GBDNDOQEOVUMPW-BBRMVZONSA-N 434.237 0.981 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1 1840401748 BUDCBWSRYHPTPV-YJBOKZPZSA-N 443.342 0.994 50 20 ICGD COCCCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841265512 MXEPHKPTUREFKP-UHFFFAOYSA-N 431.537 0.963 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(OC(F)F)cn2)C1 1842275828 YFPSSKRNWOOLAW-UHFFFAOYSA-N 425.436 0.873 50 20 ICGD CCOc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1 1844264905 WWFHKBPGYVZEIB-UHFFFAOYSA-N 425.449 0.005 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845870477 QFDDFLIXBDCJQC-XNWJVHIKSA-N 443.410 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846179270 UXKXJVAPQWVAMD-NSHDSACASA-N 427.255 0.743 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)CCBr)C2 1846560492 UMSWONPTVORQTA-CQSZACIVSA-N 426.315 0.445 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847562924 FPSRBHIWEJXFOL-QTVXIADOSA-N 431.917 0.158 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(N3CCCC3)nn2)cc1 727847853 CNTKTDPXFWNZPB-UHFFFAOYSA-N 432.506 0.467 50 20 ICGD CCn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)ccc2c1=O 728730065 YLKWUXORCJLKDS-UHFFFAOYSA-N 445.457 0.434 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 731499763 FNZYRUNGSKPNRI-UHFFFAOYSA-N 433.490 0.519 50 20 ICGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 732047354 YUUYPGXFMMLBBV-UHFFFAOYSA-N 427.508 0.516 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 732575940 MFKYYXZGRJDHCV-AWEZNQCLSA-N 449.471 0.900 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 748497610 KJLAOYDJRGQGBS-UHFFFAOYSA-N 438.780 0.423 50 20 ICGD O=C(NCC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749192129 YAYPILUZFGSDPT-UHFFFAOYSA-N 426.495 0.078 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 750510570 ZNWWGFDVYJWHSV-INIZCTEOSA-N 449.460 0.774 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c2ccccc2c1=O 753276479 KHOUIQANADEZCU-UHFFFAOYSA-N 447.473 0.643 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755302200 DHOFIHWMILTTMD-UHFFFAOYSA-N 438.428 0.882 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccc(C(F)(F)F)cn2)n1 755665724 QXMVCHSSGWORQZ-VIFPVBQESA-N 449.415 0.685 50 20 ICGD COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 757286184 LJJPTQWCGDTXAV-OAHLLOKOSA-N 446.485 0.848 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 759378493 REYLWECKCWPMGY-UHFFFAOYSA-N 443.485 0.235 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(-n3cccn3)nn2)cc1 759379595 MRQZXJHZXJAJGZ-UHFFFAOYSA-N 431.478 0.909 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 760439239 IEBXBBMQRMEUGW-UHFFFAOYSA-N 440.931 0.742 50 20 ICGD COC(=O)c1cn([C@H]2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)C2)nn1 760656632 MMBAZSPGVYWAAD-VIFPVBQESA-N 426.231 0.457 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(OCC(F)F)n1 760732413 ANHCHMXFJFHZSI-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 762971400 IAZKGALLURXJCE-ZDUSSCGKSA-N 433.490 0.020 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 763454415 KATXRDUEABTEBZ-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763529001 HVHFRMBIXLWUNS-UHFFFAOYSA-N 434.474 0.822 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cn2)n1 763573523 SUSMWPJOMIJBQM-KRWDZBQOSA-N 436.428 0.810 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763573885 VWOVMAXNYVKTEF-SFHVURJKSA-N 428.445 0.683 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1 763760228 IJKHNACUJIPCPT-UHFFFAOYSA-N 430.465 0.647 50 20 ICGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 763797549 WFRKPKGOFMWOAF-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763842619 GARIRVAFTDRYCH-UHFFFAOYSA-N 427.385 0.533 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 763897867 HKVDMMYIRJGAGY-UHFFFAOYSA-N 429.437 0.988 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)CCC(C)C 764199526 VGGJJWYYXZHGGM-UHFFFAOYSA-N 433.509 0.605 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274789 CTHOLDLPVHXHDN-UHFFFAOYSA-N 430.417 0.072 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCCS(=O)(=O)N1CCCC1 767289366 ANHLKXNPWIFDAS-UHFFFAOYSA-N 425.507 0.434 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768634373 JDCAAMWJNUOCEY-XBIAIPMCSA-N 437.474 0.093 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 773696519 CSRSRYJXAXETEQ-UHFFFAOYSA-N 429.458 0.661 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 773865774 KYLJMDHTDSHDQS-ONGXEEELSA-N 447.304 0.633 50 20 ICGD CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 776844910 NDBHQGWHGNJIND-ZFWWWQNUSA-N 430.469 0.863 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 778448411 WLPNUSHDWCQUQC-FRRDWIJNSA-N 442.538 0.565 50 20 ICGD COc1cc(Br)c(F)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 779831103 YPYVWPCZIQPHAB-ZETCQYMHSA-N 445.288 0.341 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 781011543 LQUKBWHZJHWCJE-KOLCDFICSA-N 430.849 0.119 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2ccccc2C(F)(F)F)n1 782967199 SINOMEFAYNNWNW-UHFFFAOYSA-N 438.366 0.564 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 783952744 QLAJKZZERSJWMO-ZIAGYGMSSA-N 448.505 0.665 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003699 MBGKHGZTBGYDGW-UHFFFAOYSA-N 431.474 0.322 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNc3ccnc(N(C)C)n3)cc2)CC1 784970800 NHXBMAWZCSXDOL-UHFFFAOYSA-N 426.525 0.762 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 785023681 OMSGDQFWTRLQDA-UHFFFAOYSA-N 443.416 0.845 50 20 ICGD COc1cc(OC)c2c(c1)C(=O)N(CC(=O)NNC(=O)c1cccc(C#N)c1)S2(=O)=O 790031884 NEDRGJJNEFEIOU-UHFFFAOYSA-N 444.425 0.181 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 792334928 DQLKASLZMYGERQ-UHFFFAOYSA-N 449.581 0.562 50 20 ICGD C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)NS(=O)(=O)c1cccnc1Cl 792853927 HLKRBLYMIYKBBA-VXGBXAGGSA-N 438.959 0.284 50 20 ICGD Cn1nc(SCC(=O)NN=C(C[C@H]2CCOC2)c2ccc(F)cc2)c(=O)n(C)c1=O 792960296 RGZBKVVKHICFOU-GFCCVEGCSA-N 435.481 0.657 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)CNC(=O)c2ccco2)C1 794501382 FQIWNVSTEALFIB-AWEZNQCLSA-N 435.481 0.875 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 794717766 RGXJNYVQLPTQMS-HXUWFJFHSA-N 445.501 0.847 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 797535895 QKCJJOKVLRCNSR-LJQANCHMSA-N 440.456 0.758 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 798305915 LVCYQYTXGWUDIP-LLVKDONJSA-N 430.508 0.291 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 800694827 JWDPKEWYYLLSFK-UHFFFAOYSA-N 449.316 0.818 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 802570072 HHHPKIABAWLHJR-UHFFFAOYSA-N 433.465 0.778 50 20 ICGD COCCCn1nccc1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 802704962 YLLXPJIOJSVNNN-UHFFFAOYSA-N 435.506 0.704 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806567795 LUAJQARAJYNYMP-ZDUSSCGKSA-N 440.444 0.835 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 807738641 WZHBCXAXYMHVGM-OKILXGFUSA-N 432.389 0.074 50 20 ICGD O=C1CC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)(c2ccccc2)C1 810593813 JPUHDSDQFWEDLU-UHFFFAOYSA-N 434.496 0.893 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 815779900 AZWMVZUWECDZHG-MRXNPFEDSA-N 445.863 0.930 50 20 ICGD Cn1c(CC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)nc2ccccc21 913081217 FLMUKTMKJNARQV-KRWDZBQOSA-N 437.435 0.523 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)ccc1Cl 913327794 LHAGEZTWHVAFAX-UHFFFAOYSA-N 438.849 0.174 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 913430454 AKXWZHGRKULPQO-UHFFFAOYSA-N 449.489 0.191 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cccn2C)o1 915191416 KXYVJEUJPJXIDA-CYBMUJFWSA-N 438.462 0.409 50 20 ICGD COCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915879650 OHWCGLXZEBPCSG-UHFFFAOYSA-N 428.511 0.007 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)ccc1Cl 917919657 VHYSZUKGUSIVHS-LBPRGKRZSA-N 442.925 0.930 50 20 ICGD CN1CCN(Cc2ccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 919747590 VFDHDMUJLDBSSW-UHFFFAOYSA-N 430.530 0.912 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 920433331 RTUIHMZUSYIMIV-ZDUSSCGKSA-N 426.395 0.824 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 1317817310 KGXLXWWGNDEHMQ-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029180 NHMVHRDHEJAPSZ-QFIPXVFZSA-N 427.505 0.897 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373160 IZFSUQVYZJJGPR-SAJUPQAESA-N 446.552 0.186 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC1)CCO2)NC(=O)NCc1ccccc1 1780968485 AKIDDHORSNDAKU-QHCPKHFHSA-N 443.548 0.963 50 20 ICGD CCN(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781458852 SMDJDFKSBDNXIQ-CSODHUTKSA-N 425.574 0.214 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997552 BOJOFVVMTSUIQA-HNSFDTNUSA-N 430.343 0.974 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1782002069 LWOIONRUIZPIFC-XHSVMWQWSA-N 449.342 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782193096 CGJSUHHANSTWIJ-NRFANRHFSA-N 429.477 0.644 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730703 OUHOATMZUZHMDT-UWJYYQICSA-N 436.940 0.467 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1783970318 VTFGTPOEHCTAFL-OSFYFWSMSA-N 442.310 0.710 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ncc1[N+](=O)[O-] 1784090855 PHGHAOYTRPVGAH-APYUEPQZSA-N 426.857 0.491 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094962 XGKFMAZISDTLOW-NYXISSTPSA-N 428.913 0.321 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784103984 NAMMHOLJXAYQOE-XUZZJYLKSA-N 434.301 0.540 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785573177 VZROCHJLPGPDBY-AVYPCKFXSA-N 443.928 0.333 50 20 ICGD O=C(Cc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787067028 BHZKZALVFSMUDV-WDSOQIARSA-N 428.319 0.264 50 20 ICGD N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922389 IVIRCBWJRXZTLW-QFOLPQNPSA-N 425.324 0.673 50 20 ICGD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C#N)=C/c3ccc(F)cc3F)[C@H]2C1 1790695812 WFZASKPFANGRBK-IPHSZAQTSA-N 446.454 0.988 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287461 ODINRLCRNOEENP-SMXCXOSKSA-N 435.315 0.365 50 20 ICGD O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791555984 HGQOYCOBYHVZTB-SRVKXCTJSA-N 432.344 0.662 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1792873258 REFDZZCLOZJQIM-JRATXPSKSA-N 426.311 0.950 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1CCCC3)C2)c1cccc(B(O)O)c1 1795741107 ZHWVKFPJQWKKJC-BBIADKPPSA-N 448.328 0.762 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2)[C@H](F)Cl 1796371291 UGQLITCXRZMNDR-GGNLRSJOSA-N 435.839 0.854 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2sccc2[nH]1 1797533404 DQCYZQUGUGVKOQ-HBCWATKFSA-N 439.302 0.426 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CNc2ccccc2O1)c1cccc(B(O)O)c1 1798364935 BNDHWVOWDGIBQW-YRPNKDGESA-N 449.316 0.881 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)c1cccc(B(O)O)c1 1798495447 UQUWTKXASLJLTH-HVRZVKTKSA-N 429.282 0.147 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1 1801563202 JYPZQEGLIZRXPM-XHPRPZMGSA-N 433.534 0.606 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803565458 VRVFASWTYIMOCB-BSIFCXSSSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccccn1 1805441811 YKSPFXSKBUEJKF-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1805703478 RJAYQNQSYXCHPG-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807369226 CMYVGVXURZOUBB-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cocn2)[C@@H]1c1cccnc1 1810297887 FVDRTNIRIYSPKI-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813032669 FLWRXJSRQYBZNP-HLLBOEOZSA-N 431.942 0.776 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCOC1)CC2)c1ccc(B(O)O)cc1 1815347585 FPENWNMFVXPMAM-ZFWWWQNUSA-N 429.307 0.475 50 20 ICGD Cc1nccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475394 PQTOIWUZXHXRNL-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923735 WBECXHQUXIHSAU-RTBURBONSA-N 431.537 0.935 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830275759 ZTTXHNNXJSDDHF-LPHOPBHVSA-N 447.315 0.775 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830532933 BBOFEIWWNDZMHO-XUWXXGDYSA-N 448.358 0.389 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830539056 ZYRLANOYVAQXHQ-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)CC1 1830543860 GHHHBYCOQNLZON-CXAGYDPISA-N 447.326 0.427 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1831175073 WLSFMJRKYVGXHE-UZLBHIALSA-N 439.325 0.452 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869503 HXFKFPCIONGHHE-RBUKOAKNSA-N 437.585 0.894 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357564 PKDSDAKMBSUKBW-LIVBEALHSA-N 445.919 0.768 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1)[C@@H](O)CCl 1833306884 JGMJCLOAVVBDPK-AWEZNQCLSA-N 428.873 0.973 50 20 ICGD CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1833591270 YSSYPEGQVDYVLL-UGSOOPFHSA-N 449.335 0.306 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1834408925 KWPBAIRUTVKOPF-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835480686 NLOOFTHILFJAKC-BTVXTAIASA-N 437.472 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836101805 OKRSKOSBPVWNBG-HXUWFJFHSA-N 438.550 0.120 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1836227269 DUXPZOJTIXVFRP-SJCJKPOMSA-N 435.308 0.295 50 20 ICGD CC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1836666647 LSLLDUTZJKONTJ-IERINAHZSA-N 447.536 0.890 50 20 ICGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c2cccnc21 1837187257 WTKRWSQYABVCQQ-JXFKEZNVSA-N 436.896 0.243 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837715366 MLLAHQLFPFRWMB-QGZVFWFLSA-N 441.517 0.239 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)C1 1839063991 LGVVLQRZBOKYCS-YJBOKZPZSA-N 432.359 0.570 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839143884 KOIOQFUAGBBDGT-AUUYWEPGSA-N 437.884 0.522 50 20 ICGD C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839840626 FLAUJEIGJHTJMD-ZUHXEFHUSA-N 445.520 0.789 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840031786 CAULQWBVOHWBAI-KDOFPFPSSA-N 445.358 0.508 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840035698 AUNMUDBZLBIQEC-FZKQIMNGSA-N 449.342 0.816 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840151739 MWKLVFFHBLOVRG-FXAWDEMLSA-N 425.913 0.724 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897331 WRUDLMWHTWUHDS-SJCJKPOMSA-N 449.982 0.321 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841602121 SWQPUTVLVASQGM-SFHVURJKSA-N 441.532 0.574 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(C)c1 1843012812 RCRJBVBPUAACTQ-UHFFFAOYSA-N 436.273 0.592 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015235 VCKFRKXZOJHQPD-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)CN1CCCC1)C2)NC(=O)NCc1ccccc1 1845038240 IKFWPFOHZDZHMM-UHFFFAOYSA-N 442.564 0.632 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CCOC1 1847565410 PISFPGVLHLUUCP-PJHJGJPPSA-N 431.917 0.472 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1 13346997 YLSQYGPAUIBMNY-UHFFFAOYSA-N 441.487 0.323 50 20 ICGD O=C(CNS(=O)(=O)c1cccs1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726862282 HUBGSVSWJSBJQW-UHFFFAOYSA-N 430.533 0.610 50 20 ICGD O=C(COC(=O)CCOc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1COc2ccccc2O1 728330371 IUHSYLFEEJZNCC-QGZVFWFLSA-N 445.384 0.894 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2cccc(C#N)c2)c1 730025261 HJLLKPOIQCOOIK-LBPRGKRZSA-N 444.473 0.438 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 731978598 XARLEFHWFQIXHT-IBGZPJMESA-N 432.521 0.489 50 20 ICGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 732594419 AZTLZGWOBCZOJY-ZDUSSCGKSA-N 442.432 0.682 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1cccs1 733515947 HDVKKPUTBRNHAE-CQSZACIVSA-N 432.437 0.970 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C#N)ccc2C)cc1 734118519 KCVVGCWEQYMBAT-UHFFFAOYSA-N 436.515 0.805 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1F 735190761 OUHATDNZNBUSME-UHFFFAOYSA-N 425.398 0.656 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 740943180 JXZAHHORTLDVDK-UHFFFAOYSA-N 430.502 0.922 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744555640 FKWVBBXJBRPRKD-UHFFFAOYSA-N 444.469 0.863 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 745108639 NWYQIHDFZNZGPR-KRWDZBQOSA-N 434.408 0.381 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)C1CCN(c2ncccn2)CC1 753904911 LQINSBPSBSRRPY-HOTGVXAUSA-N 436.538 0.475 50 20 ICGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 757781135 NVSPJBKXJVAHPJ-UHFFFAOYSA-N 429.443 0.803 50 20 ICGD CSc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 757903237 QXLNNYUSEFXILJ-UHFFFAOYSA-N 431.478 0.317 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1CCO[C@@H]1CCCCO1 758096527 VEEFSBGAQXFYRN-GOSISDBHSA-N 440.464 0.785 50 20 ICGD O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccccn1 758710610 SZYNJFDQPPSRAU-UHFFFAOYSA-N 425.854 0.478 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)nc21 759390803 VAJPWBTXLJQULL-UHFFFAOYSA-N 425.858 0.952 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)C(=O)Nc1ccccn1)=NO2 760433254 OTQAFPFAYPABIH-UHFFFAOYSA-N 446.464 0.714 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccccc1F 763562381 VCTBTRPUJMRNAI-UHFFFAOYSA-N 434.449 0.426 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1C 763639946 MOVKRFJSTVUIBY-UHFFFAOYSA-N 442.350 0.995 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 763802767 GTHJMQJFOUYHAR-OAHLLOKOSA-N 444.400 0.927 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764153616 MLMFWAFWQJNUNW-QGZVFWFLSA-N 444.469 0.316 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 764177376 PGSQBLACODLHKT-UHFFFAOYSA-N 427.442 0.399 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 764226078 FJZWLHOTTRRWSQ-JTQLQIEISA-N 440.428 0.655 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 764226365 XNKKHERGPWGYBI-KRWDZBQOSA-N 429.477 0.053 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccc(O)cc3)n[nH]2)cc1OC 765597008 PTVAAUPATNECKO-UHFFFAOYSA-N 439.428 0.991 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc2c(F)cccc12 765731193 QZVRUBGGFMNMHL-UHFFFAOYSA-N 428.380 0.089 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3c(C)csc3=O)CC2)cc1 765753941 FXAAQNUQEVEDIB-UHFFFAOYSA-N 431.562 0.882 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@H]2CCCC[C@H]2O)CC1 767944247 XJTVAQHKXQLRCU-RBUKOAKNSA-N 445.568 0.791 50 20 ICGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771609231 XKZKXBBOQKNBQM-UHFFFAOYSA-N 441.849 0.673 50 20 ICGD O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)CBr)CC1 777778147 YTQKPKFMRRYQRX-UHFFFAOYSA-N 429.300 0.031 50 20 ICGD Cc1cnn(-c2c(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)c(C)nn2C)c1 778555014 VVRDCOGXIOSFJO-UHFFFAOYSA-N 431.478 0.534 50 20 ICGD COCc1c(Br)cccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427375 SALVOHIGYPPXKW-HNNXBMFYSA-N 434.312 0.732 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 784000200 QGNBJFRRDWTTPJ-UHFFFAOYSA-N 439.259 0.887 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1OCc1cscn1 784002047 KDOUOXZDPLMOGN-UHFFFAOYSA-N 443.441 0.831 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784002435 FQUXGMYQZJDKGE-UHFFFAOYSA-N 437.428 0.881 50 20 ICGD Cc1nc(COc2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)no1 785060835 OQEWQCBZBOQZFT-UHFFFAOYSA-N 449.427 0.933 50 20 ICGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1F 785066456 AVWKALYFKZKXAY-UHFFFAOYSA-N 428.380 0.980 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 786576134 OCWHSSBYDCUIMT-MFKMUULPSA-N 445.350 0.070 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCS(=O)(=O)C1 787559139 AXWPGQOFSJTMAO-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 788494032 YUXRYEBIFFBMQY-UHFFFAOYSA-N 427.236 0.653 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789811152 WESQUDFJOZANRO-HKUYNNGSSA-N 440.456 0.470 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c(C)c1 796989256 CBTSLBVTXYNEBM-ZDUSSCGKSA-N 446.435 0.812 50 20 ICGD Cc1nccnc1N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 799353187 DDLJXXYBYIWQRU-UHFFFAOYSA-N 432.510 0.255 50 20 ICGD Cc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cnc2c1c(=O)n(C)c(=O)n2C 802095796 DHWJPFGQRGPVQD-UHFFFAOYSA-N 426.389 0.136 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1F 802565709 HCLXCMGCMBIBBE-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CCN1CCN(CC(=O)NNc2cc(C(=O)OC)ccc2Br)C(=O)C1=O 818756698 IIJRNBLATWSWOK-UHFFFAOYSA-N 427.255 0.370 50 20 ICGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 871020879 LQERBUBVHOETAE-MRXNPFEDSA-N 427.255 0.696 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886744 ZPNCPXJLKKVLFW-GFCCVEGCSA-N 446.551 0.203 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1 921166788 QKLWHCZIWOBTQB-HZPDHXFCSA-N 427.523 0.737 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1778230578 SSXICDIUVHHEBE-SIFCLUCFSA-N 445.944 0.673 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197775 JOLIOZVEFZIIEJ-SCLBCKFNSA-N 439.310 0.881 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1779815516 NZGTZLUOARIEIZ-DENIHFKCSA-N 441.293 0.358 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780494131 URPXJBUQUOUHFS-NRFANRHFSA-N 445.426 0.721 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1781899900 CXAYRAQYHHNCAS-CKEIUWERSA-N 428.331 0.966 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 1782021339 IEBXIGJORMKPGI-DUXQTRJFSA-N 442.321 0.061 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)ccn1C)C2 1782174004 XKBNWHKOVDFTOB-WRWLIDTKSA-N 425.913 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782229540 IJFBGMNRCRTZAY-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783340928 AEVGBKNYOMGVIB-QAPCUYQASA-N 432.359 0.712 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933464 ZMFACTBUHIUUBF-VGOFRKELSA-N 446.552 0.195 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783974092 GZNYCRIKOZJJFK-AJNGGQMLSA-N 447.374 0.370 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4[nH]ncc34)[C@H]2C1 1787312484 JANWWCQSHKEIDW-FNHZYXHNSA-N 442.520 0.529 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)cn1 1787445572 JLTIOBNIGYETFZ-QCEMKRCNSA-N 447.916 0.754 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1788565339 BGPBBAFIXCTMNS-YTFOTSKYSA-N 447.374 0.847 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1789863392 QNWBPLPYJYCNAH-BWJWTDLKSA-N 437.928 0.592 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@H](F)Br 1789924479 GQDKSJNPTOVVCX-ZQCZZBHPSA-N 434.222 0.602 50 20 ICGD CNc1nsnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792559730 MJRKYLBPVNMZPT-YOADBGGHSA-N 444.521 0.966 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)COC1 1792623048 QHZXJUFYPFJZBY-ZSBFGKGUSA-N 447.444 0.760 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1)C2 1797750772 SMTVYEJVRHSWAG-UPHUGPLXSA-N 437.500 0.521 50 20 ICGD O=C(/C=C/C1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799314775 YJQKATULAYPZLP-JHMHLNOUSA-N 426.322 0.706 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1 1800343232 FNTPUQBUGXBSEZ-QDMKHBRRSA-N 433.465 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)C2 1800981011 KPBMJBRHWHEJSA-NEXGVSGLSA-N 430.929 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807029400 RZRZPIAYSPGKCS-IJEWVQPXSA-N 448.844 0.066 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807370913 NBKNXCQVEWZCQE-UTKZUKDTSA-N 447.304 0.680 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809715163 KPJZSTQIIBMNBZ-YJBOKZPZSA-N 430.553 0.903 50 20 ICGD CCc1[nH]nc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1F 1809968339 SSVNOEWGTNJEIT-UHFFFAOYSA-N 442.300 0.950 50 20 ICGD CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810294216 IWWKPEVSGNWGFC-MAUKXSAKSA-N 435.488 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1813071785 XIGUZXDADXUUAF-APWZRJJASA-N 425.493 0.564 50 20 ICGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815293606 IAECKUSYNFGENN-IAQYHMDHSA-N 442.480 0.226 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cnc[nH]2)n[nH]1 1818005719 MPGAVRUXGBZDKZ-INIZCTEOSA-N 437.464 0.680 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCCO)n[nH]1 1820924821 WWJVMAQHSFLUAQ-OHHQFBAHSA-N 445.480 0.545 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823794165 PDFAPORUDONUHB-NRFANRHFSA-N 427.354 0.696 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1829846571 XFZUNYICSWFYIQ-XUWXXGDYSA-N 448.358 0.389 50 20 ICGD COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1829934908 SADXVPFCOLQRJT-VQYZLWMVSA-N 449.508 0.002 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1F 1830738902 WSRJRMALMZLSSZ-KUHUBIRLSA-N 432.851 0.943 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831640062 XYZBADJMGUESPA-APWZRJJASA-N 434.002 0.899 50 20 ICGD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834718521 AXWJJSYHMWXNIA-CJRTWVEFSA-N 433.411 0.917 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834763511 MNADKMUZAIKKMZ-FQEVSTJZSA-N 446.416 0.504 50 20 ICGD N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1 1834800325 CRQKKRBFOJFRMF-UHFFFAOYSA-N 438.337 0.245 50 20 ICGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834823987 PHRCVBPUWZUOAJ-YJBOKZPZSA-N 432.359 0.570 50 20 ICGD CC(C)n1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1835201745 HFRUPWVHDHBAOE-INIZCTEOSA-N 426.949 0.644 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cc1O 1839151541 VTLMYPSCHPJSBC-IAGOWNOFSA-N 435.308 0.432 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n[nH]1 1839153361 HLLCMFXCGRBICH-ZWKOTPCHSA-N 433.336 0.953 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839197616 CBQFIBBYJJUFJU-BBRMVZONSA-N 433.278 0.489 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198734 NGPJVQKSEJHJIC-RDJZCZTQSA-N 448.289 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839962155 WBBFGTMAARLYCN-JOQOYGCGSA-N 445.310 0.943 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839967796 ZEBINJXWTREDED-WMLDXEAASA-N 444.330 0.298 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031339 MSZLVRLYDFOBKX-WMLDXEAASA-N 429.315 0.431 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841210743 CTPDEZKXYXSXGZ-AWEZNQCLSA-N 431.298 0.097 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014547 XDZVGHGATRSQTH-UHFFFAOYSA-N 438.289 0.258 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Br)C1 1846179628 OUZMVUBZSVQASY-BXUZGUMPSA-N 426.315 0.444 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1846537443 SOUWFWYGCGVHBO-UHFFFAOYSA-N 425.493 0.406 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O 13082317 DFJGHFIYHZYFAH-UHFFFAOYSA-N 429.458 0.708 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 726281287 KJUJFZBANLYIAE-AWEZNQCLSA-N 448.501 0.765 50 20 ICGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cc([N+](=O)[O-])cn1 728343065 TVHANMCGCZHMFG-AWEZNQCLSA-N 433.377 0.057 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 730779891 LNDVSADQABBJLN-UHFFFAOYSA-N 440.503 0.298 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cc(Br)c[nH]1 732052030 GRRYYIAOJLHHJW-AWEZNQCLSA-N 442.314 0.252 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732260748 HOBFOJPYQWRYTP-GJZGRUSLSA-N 427.523 0.367 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccccc3O)C2)nc1 753279937 PJYIUNVNRMXEOF-UHFFFAOYSA-N 429.433 0.562 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(c2ncccc2F)C1 755086162 NMXUUUDACRMOEM-LBPRGKRZSA-N 435.485 0.737 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1F 758837632 DGKIDBNQVVCWBX-UHFFFAOYSA-N 437.453 0.697 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Cl 762224077 VTOJCZXSPLSKRO-KBPBESRZSA-N 429.926 0.769 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 763679707 COJJEJKUCIZOMG-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 763844167 WEDZLQYZBYHESL-UHFFFAOYSA-N 430.436 0.823 50 20 ICGD Cc1cc(Br)ncc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916164 ABJUBSPNDYVOIH-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD CC(C)n1cc2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2n1 763916173 AMLAJQJFHXOPII-UHFFFAOYSA-N 433.432 0.993 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1C[C@H]2CCCN2c2ccccc21 763916223 DLGVJXPJLWQUBS-MRXNPFEDSA-N 432.444 0.439 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1Cl 763916976 MUNLVMICWRKPEK-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(OC)c1 763949668 QPHKGQYKFBXBJV-UHFFFAOYSA-N 425.401 0.995 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764162623 DHNBKJIXEWCYTQ-INIZCTEOSA-N 432.458 0.538 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764163536 KRKVDQQUTPYLHP-HNNXBMFYSA-N 437.861 0.833 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)cc2)CC1 764183282 WKPWVFGWDJYCDG-UHFFFAOYSA-N 448.483 0.736 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 764299815 JRSYONHMTJZHHY-UHFFFAOYSA-N 426.495 0.372 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 764343745 RNIRRXLLCPUNMG-LRTDBIEQSA-N 444.492 0.096 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 764424343 IOJZATDIKDUPHY-LLVKDONJSA-N 425.747 0.782 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)c2ccccc2c1=O 767234738 SDLWQWVWOIOKOC-UHFFFAOYSA-N 435.506 0.746 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 767272203 CZYNCNFNVZSAOF-UHFFFAOYSA-N 438.440 0.594 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1nccn2c(Br)cnc12 769741925 PMPAAYDEEAPDPF-UHFFFAOYSA-N 442.274 0.961 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 772629124 AJAYCLZIUCJTEW-CYBMUJFWSA-N 445.567 0.109 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1 773081485 DGHSFZQYXDCNNA-UHFFFAOYSA-N 441.416 0.448 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCO1 773132660 SBPOBYOLODVCEH-HNNXBMFYSA-N 446.468 0.242 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)o1 773411474 MQOIIXNHOHZMJV-LBPRGKRZSA-N 444.510 0.904 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nc(C)cc(C)n1 773477935 DNZCLDYIDIXSIZ-UHFFFAOYSA-N 436.494 0.824 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783428071 WKZBQXGUDBRWCP-QGZVFWFLSA-N 431.536 0.969 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)c1 784003645 KEQRSRCOLPJQBR-UHFFFAOYSA-N 448.457 0.124 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1 784841856 CBCDRWKAHSPSMF-UHFFFAOYSA-N 436.494 0.488 50 20 ICGD CCNC(=O)N(C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 785860586 NTPCEJNHLJZESN-UHFFFAOYSA-N 428.515 0.471 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 790067787 DMPZCLQEGQLECN-UHFFFAOYSA-N 435.886 0.750 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 792860507 WSKNZYQIHAIBPF-IBGZPJMESA-N 428.449 0.019 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cnn1-c1cc(F)c(OC)cc1F 797005102 OHHYVNKUXPFGNL-UHFFFAOYSA-N 438.435 0.759 50 20 ICGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 799605569 VESHAOFSWCOQHK-UHFFFAOYSA-N 437.547 0.369 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)cc1 803469067 HJZCBQNTCUKLBA-QFIPXVFZSA-N 425.441 0.706 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 812730815 XTUVNCAVKGUGNA-UHFFFAOYSA-N 437.503 0.119 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(F)cc1C 815693032 JVPSFRPGUXJOHM-NSHDSACASA-N 432.412 0.251 50 20 ICGD CC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 849186031 MUWGAWTVEHXUPJ-SFHVURJKSA-N 428.397 0.799 50 20 ICGD CCn1c(NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)nc2ccccc2c1=O 915639579 KMUYEBQPDMBVBU-UHFFFAOYSA-N 449.464 0.897 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 918100188 OSPKZZRDHCBVDN-SNVBAGLBSA-N 431.517 0.280 50 20 ICGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 919679453 PVYHSONKBUMQDP-UHFFFAOYSA-N 448.399 0.406 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 919743628 PWOKUTHFMAHFRQ-SNVBAGLBSA-N 446.532 0.248 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1C 920310190 VFXQCCPOGNKRIL-UHFFFAOYSA-N 443.478 0.794 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C[C@H]2CCOC2)CC1 1116102802 IUVYEENHDDEGFG-CQSZACIVSA-N 438.554 0.425 50 20 ICGD NC(=O)C1CCN(C(=O)C2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)CC1 1340765599 DRUVRHXOSSPGSZ-UHFFFAOYSA-N 449.939 0.537 50 20 ICGD O=C(c1cn2cccnc2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778477968 AUUUFDGIILJFJT-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029179 NHMVHRDHEJAPSZ-JOCHJYFZSA-N 427.505 0.897 50 20 ICGD O=C(CS[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779077994 KLFQWDCQWQVCJH-PZJWPPBQSA-N 448.350 0.070 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1780096987 MNWUQQMSRWLOCT-OAQYLSRUSA-N 448.476 0.915 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781230504 TUSMYTMYPVOPIK-XFBWCDHKSA-N 426.297 0.117 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1ccccc1)C2 1782210781 LJYDAQIAIWJVJF-WZONZLPQSA-N 444.532 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782211757 JPUHITKUUUHPFQ-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092920 NXYAFWCUBBEGLE-QAETUUGQSA-N 437.924 0.821 50 20 ICGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1ccccc1 1784095886 NSHYGBYFDJZPPY-FJIDUMEYSA-N 437.924 0.386 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1784181146 RAHSGHAUOKEMTQ-YZUZCNPQSA-N 434.301 0.614 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cccc(=O)n1O 1785630906 HMPBMGYHHYOVEQ-WRZDFSGXSA-N 432.246 0.369 50 20 ICGD CCS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1786344469 NORVMQAXNDXWRM-UHFFFAOYSA-N 438.550 0.928 50 20 ICGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)c1ccccn1 1786406046 NRGRMZLGNORCAJ-HPZZRFSDSA-N 425.327 0.846 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(-c2ccccn2)[nH]n1 1788946504 BEQNDYCCDVKMDD-UHIXZJCNSA-N 433.896 0.665 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]4C3)cc21 1791294827 OZNBQYHCXSLGBO-MJVIPROJSA-N 444.319 0.414 50 20 ICGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)ccn1 1792979032 RIHONXVEDKKXAY-OCVGTWLNSA-N 425.869 0.061 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3c1)C2)c1cccc(B(O)O)c1 1795739271 YBILOQSEJODVDD-VTYHHJSWSA-N 445.284 0.432 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1cccs1 1801294257 XEAPNVFLFCOXHB-ZUMXRPEOSA-N 443.529 0.754 50 20 ICGD COc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801647675 FQIYANFJOCOYPW-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD CC[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1801801393 HIVCUSZJARJLIS-LMLFDSFASA-N 438.286 0.238 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803232776 QNKMCEKWZQFHMM-IHPCNDPISA-N 425.294 0.098 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804346217 ITOLHJBRMGHZTQ-IIDMSEBBSA-N 447.568 0.537 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523337 UALYIRUBOAXGEQ-HOTGVXAUSA-N 432.901 0.312 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806187226 RKJGZTHIHFQCLN-UHFFFAOYSA-N 443.353 0.374 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362341 KCQLVIGYELOCAY-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369972 ZOFMEDQYYRHEBX-PKOBYXMFSA-N 433.277 0.128 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810234379 JRPIGBMLKXAKQX-BVUBDWEXSA-N 425.917 0.395 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1810868751 JFZHIFXBTFKQIQ-AZUAARDMSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195900 KGAWDLLINLXOSJ-FPOVZHCZSA-N 446.272 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1813301078 CUQQEFQBQBYFLL-VDTXYHSISA-N 439.520 0.897 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1 1814049459 DHHWKSLNGFSSGG-UYAOXDASSA-N 432.289 0.775 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)Br)[nH]n2)C(=O)N1 1815668417 ZIBWBOIQQMLQIC-RNCFNFMXSA-N 445.249 0.644 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410676 OMXXKAHPQYMIIK-INIZCTEOSA-N 449.556 0.937 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824469371 QJRMHMCROFZBAK-KRWDZBQOSA-N 444.598 0.414 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824488860 JKYMNMUMTOTNPG-UWJYYQICSA-N 426.322 0.638 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824708999 DLOVMOVDNWKNHW-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1826139758 VMRLPSOCJUXMFQ-HTRCEHHLSA-N 428.820 0.333 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1830359832 VZMFBVLRIVKPEU-HXUWFJFHSA-N 431.961 0.430 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1830545535 KMODEQMBYNWOBV-QFBILLFUSA-N 446.386 0.960 50 20 ICGD O=C(c1cccc2nscc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736599 UDDIIUCIPMSIBE-VQIMIIECSA-N 439.921 0.966 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832930646 JXTDFNCGUDKMTC-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833673962 GWSICRMAAGGUAJ-QLJPJBMISA-N 433.278 0.711 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883592 QAPWQWWIBHEEGM-WBMJQRKESA-N 430.303 0.059 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834598192 ZZVKBEBSOGWAAK-YVEFUNNKSA-N 429.267 0.493 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cncn1 1834826274 ITUZLIYFIIWLHX-XJKSGUPXSA-N 430.303 0.081 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968225 CKXUCAKPWPLHFJ-GFCCVEGCSA-N 429.319 0.455 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)ccn1 1837977175 YZVAYKZMMTUOEA-GOSISDBHSA-N 442.310 0.945 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838211500 RQXXXMFHGNFDNF-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149954 XDPZLSIQAKNWNY-WFRZBGSESA-N 448.347 0.538 50 20 ICGD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839802100 LTWFZLLOUHODMS-QFBILLFUSA-N 440.338 0.408 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840032809 KQLIBZBVMPACFV-MEBBXXQBSA-N 446.258 0.171 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939538 JDUAABZPNHOWJJ-FQEVSTJZSA-N 427.618 0.780 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(C(F)(F)F)nn2C)C1 1844509495 DHTKJSMTRHIVGY-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785896 LZRILUSWHSHVPA-SNVBAGLBSA-N 438.531 0.378 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1 726100957 JPJRDQCMMNUVEC-UHFFFAOYSA-N 435.484 0.935 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 727273437 XPOWBQKEBKGUNR-UHFFFAOYSA-N 435.531 0.368 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729283923 YGVBGYYFDDKUHQ-UHFFFAOYSA-N 446.489 0.306 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O 732256896 TYMRLBWRWQRFIO-UHFFFAOYSA-N 434.474 0.998 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@@H](C)O1 732262621 UZSTZRVSSDBAAN-BETUJISGSA-N 430.527 0.617 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732474151 IRJKCDGNWXDPFF-MRXNPFEDSA-N 428.511 0.193 50 20 ICGD CCOCCCn1c(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)nc2ccccc2c1=O 733269094 YSWPXLDIXXHJII-MRXNPFEDSA-N 437.522 0.690 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)COc3ccccc3O)ccc21 735658049 TXUDYQPDZJHWPW-UHFFFAOYSA-N 426.429 0.257 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc(-n4cccn4)c3)cc2)CC1 740082271 NRHAGYSLHIHBDC-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)NNC(=O)c1cccc(C#N)c1 741851077 IXIJSJULNZDZGR-UHFFFAOYSA-N 429.506 0.777 50 20 ICGD CN(CCCC(=O)NNC(=O)COc1ccccc1O)C1=NS(=O)(=O)c2ccccc21 742068788 CDAWLLFOUHNETM-UHFFFAOYSA-N 446.485 0.780 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(Br)c1 742769913 WFVWRDXATAGTDQ-YPMHNXCESA-N 444.307 0.246 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 743312946 KUBYSVQBGAMMOU-UHFFFAOYSA-N 439.877 0.982 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744560938 JWWDFQIQRZJKDH-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 744618733 ZVKVWEZBKLGHMI-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2S(=O)(=O)N(C)C)c1 745003932 NJAGKEDSAJSBJY-UHFFFAOYSA-N 425.488 0.925 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)N1C(=O)c2ccccc2C1=O 746090825 UYJCYMQVWIVANQ-GOSISDBHSA-N 445.435 0.926 50 20 ICGD O=C(CC1(O)CCCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746093288 NTLSGSQVIZHXMU-UHFFFAOYSA-N 425.507 0.554 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)CCOc3ccccc3)CC2=O)c1 746185216 LEVFPSIUTFPQJI-CQSZACIVSA-N 446.485 0.303 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)N1CCCC1 748240268 QZOJSBLGERXPMN-CYBMUJFWSA-N 426.395 0.824 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNc2ccc(F)cc2Br)CC1 749352924 NIWLFHMKZVDAKU-UHFFFAOYSA-N 438.323 0.792 50 20 ICGD N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 750038829 KWZMALAETRMPOS-WVWBQVRESA-N 440.503 0.594 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(Br)cn2ccnc12 750243659 KOHUKHIZANGZII-VNOQCFOKSA-N 435.238 0.097 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1cc[nH]n1 755280864 DJNNXHFMCAJEHP-UHFFFAOYSA-N 430.284 0.231 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)c2ccccc2c1=O 756796214 HGUHJMWVUBDNJQ-HSZRJFAPSA-N 449.467 0.584 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1 756843382 FCKXUBBNSJAWIB-UHFFFAOYSA-N 442.436 0.004 50 20 ICGD Cn1cc(C#N)c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 756866648 XHALZNLPQBYNEG-UHFFFAOYSA-N 431.478 0.933 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 758047306 LFUOAQGMIJQYBT-RHSMWYFYSA-N 432.502 0.633 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 758752757 NLKMEJLPVVHIPR-DZGCQCFKSA-N 441.452 0.365 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 763551918 UPTNRYSCQKOOBR-UHFFFAOYSA-N 444.356 0.885 50 20 ICGD CSc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 763719207 WBLKCSRGRADIDK-UHFFFAOYSA-N 437.503 0.454 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 763809168 RZNLMVKCNWEGJZ-UHFFFAOYSA-N 437.456 0.555 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1 763857980 QCOLNEDZSNVLGK-GFCCVEGCSA-N 449.439 0.874 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763867980 ZKNZDBOHMLSMJX-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 764225708 CMERADOFOBDTJK-GUYCJALGSA-N 443.485 0.366 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 764296961 KJRLSZBWCKZUAH-UHFFFAOYSA-N 434.456 0.711 50 20 ICGD O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C1=CC=CN2CCS(=O)(=O)N=C12 764334767 XODRICGXGHKWPD-UHFFFAOYSA-N 437.428 0.798 50 20 ICGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656245 YKNSKBKXAHAVCA-UHFFFAOYSA-N 426.521 0.937 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 766752686 REDUMPWWGLZBOV-GXTWGEPZSA-N 439.372 0.671 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@@H](C)O)cc1 767302752 WBUDZRRLDDVLPK-XWIAVFTESA-N 449.485 0.010 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COCc1ccccc1)NC(=O)CC2 768242158 PKWBLKNHYBIPRH-UHFFFAOYSA-N 426.429 0.883 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 772989034 BGVNRARHFLRJSA-LLVKDONJSA-N 445.863 0.823 50 20 ICGD O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)C1CCN(c2ncccn2)CC1 778704285 KJGQCFOPIBYITN-SNAWJCMRSA-N 434.460 0.912 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccn2Cc2ccccc2C#N)c(=O)n(C)c1=O 780209265 WDLAKCIMGDSBQU-UHFFFAOYSA-N 437.485 0.443 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1c(F)cc(F)cc1F 782897561 QROOPGOEWJETNT-UHFFFAOYSA-N 429.380 0.797 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)ccc1NC(=O)OC(C)(C)C 783999510 PCSYSQGCCIQBFP-UHFFFAOYSA-N 449.464 0.751 50 20 ICGD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002004 IAPBTLYQXFAZLO-UHFFFAOYSA-N 441.366 0.880 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 792396273 ZHIOJKFNGDJBRM-UHFFFAOYSA-N 443.489 0.986 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCCC1 793350406 MWURPDOGHSAFGA-UHFFFAOYSA-N 446.551 0.667 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 795280754 MCURKEQYQWSKKP-KRWDZBQOSA-N 435.458 0.212 50 20 ICGD Cn1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc2ccccc2c1=O 803037918 KYCXRURGGUCDSK-UHFFFAOYSA-N 428.308 0.979 50 20 ICGD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2C1 815778789 GCTSDTHYGROBFG-CZUORRHYSA-N 447.492 0.729 50 20 ICGD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779739 SVKRTAOMFURRAF-ZWKOTPCHSA-N 440.504 0.903 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915858310 XAXPCJJAFDXTGL-QGZVFWFLSA-N 446.464 0.769 50 20 ICGD CN(C)CCN1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 916382774 OMFVFNRSQNUWMI-UHFFFAOYSA-N 445.612 0.555 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1OCC(N)=O 916640995 RSMQJUIEXYBPSW-UHFFFAOYSA-N 430.417 0.475 50 20 ICGD O=C(CN1CCC(CO)CC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1120571295 BOUNARUYAHRFQP-UHFFFAOYSA-N 449.515 0.854 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825120 CUAFBFYGMVKVNW-SJCJKPOMSA-N 437.298 0.599 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779029862 ZNXDDTGGABLBSU-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)n1 1779032779 VDVIOCJBNRPJJA-QFIPXVFZSA-N 438.488 0.454 50 20 ICGD COC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371530 XLXTZOFNUYKDOG-SOIKWTOOSA-N 433.509 0.095 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1779546348 OQVMBDQVNTWVMZ-FRQCXROJSA-N 446.642 0.929 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781223994 GTGYWBYLTRUUJM-KCXAZCMYSA-N 429.366 0.733 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccs1 1781326777 UKRFAEJAXMARIA-BBRMVZONSA-N 448.314 0.998 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782547973 IEKYGHCLXYUPAL-JBYIUTFZSA-N 448.568 0.406 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783963907 DFNNKJRLFAIDSC-YTFOTSKYSA-N 432.359 0.912 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784442361 DGUCVIRGPWFSHS-UGUYLWEFSA-N 449.646 0.145 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980185 SHHIGMBSOXVNKG-VMXMFDLUSA-N 440.280 0.671 50 20 ICGD Cc1cccc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981938 RATWTMWUWJOBOX-JBACZVJFSA-N 436.317 0.890 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1ccnn1 1788143682 RMEXQRQXBNQQDR-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1cncn1 1788149499 ZSRCEHZWAJPMFC-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793355842 RTRDGZPXJFKBLP-GLPAEGGISA-N 431.493 0.301 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCC(F)(F)F 1793734595 YGQPCERKDURAGX-DRXBFXEBSA-N 443.426 0.621 50 20 ICGD Cc1noc(C)c1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794146483 PJECTZUEYBKGPQ-QDMKHBRRSA-N 426.477 0.784 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188723 LUESGEVDSGJWOD-YRPNKDGESA-N 449.316 0.881 50 20 ICGD Cc1ccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2c1 1796896373 NEXPVSFLALYTIA-OPMZPASUSA-N 447.300 0.673 50 20 ICGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1798669782 SJDWQMSPOKFUCH-IVWMJMPLSA-N 441.492 0.049 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1799276249 IOJIRBMGRAXPGL-JPVZDGGYSA-N 429.304 0.846 50 20 ICGD CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802688738 FYUDOMLCETUFSQ-YJBOKZPZSA-N 435.488 0.949 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804186658 IXIOUPGYVMMVQF-DNVCBOLYSA-N 447.568 0.491 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)[C@@H]1c1cccnc1 1805492432 KBQFNUVPCMUXDO-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCC=CO2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360273 JQHCDXSOFAXXDG-TYPHKJRUSA-N 435.289 0.774 50 20 ICGD N=C(N)SCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809639570 OFMGHTXLJIIBRS-UHFFFAOYSA-N 433.538 0.157 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813460178 QBGVTSIQDWIYSC-AVRDEDQJSA-N 441.536 0.437 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2)C(=O)O 1815082329 WFKFZYVRQCBXPO-FMTFEUNWSA-N 437.291 0.808 50 20 ICGD COC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815308502 OQZNBKBUSFMUMA-LRDDRELGSA-N 429.481 0.997 50 20 ICGD N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817296531 HQCLRLGMGRHTFB-GWCFXTLKSA-N 430.282 0.932 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCO2)[nH]n1)c1ccc(B(O)O)cc1 1817470206 LSOCDOWZEUXRHO-MSOLQXFVSA-N 426.282 0.965 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471223 HNMUHVLNJPHNNQ-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816561 GKPYGDBUWMFJBY-SKDRFNHKSA-N 449.859 0.095 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)n(C)n2)[nH]n1 1822410910 RYUYVDCUEOMDQH-CQSZACIVSA-N 432.485 0.528 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824187223 AOZRCLKRHAXOTI-GJZGRUSLSA-N 426.901 0.780 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323598 XRELFSBHGAKQSI-OLZOCXBDSA-N 432.974 0.749 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829545959 JDZJJHZZMADFDM-FZKQIMNGSA-N 432.926 0.817 50 20 ICGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccc(Cl)cc1 1830719960 POYLHOFRDIQRGD-BEFAXECRSA-N 445.299 0.579 50 20 ICGD O=C(CCCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731787 PKXYULXBFZEXGS-YLJYHZDGSA-N 427.929 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671823 ZDKAKGHMXWNUPU-QGZVFWFLSA-N 427.461 0.006 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832999718 ZCPZRVWLDCXIRT-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833214343 SSSMYHONURWFRU-UHFFFAOYSA-N 449.788 0.817 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(C)(C)C 1833305991 IDLFFMKCYOSAIR-ZWKOTPCHSA-N 445.004 0.709 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833316714 WWJAVXKAZAWRHO-KRWDZBQOSA-N 431.276 0.054 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1834819535 VEHPLEURZSNWDE-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931072 FEHODCKPZLGHPG-CRAXIPPQSA-N 442.321 0.183 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838388909 BJJXFHPXONPSME-PXNSSMCTSA-N 427.929 0.966 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767352 CVGJQDIJPBIGJT-ZUZCIYMTSA-N 439.822 0.911 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840151579 GUULORDCTVCAIT-QFBILLFUSA-N 428.917 0.063 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840746301 YOMKNLNWNWWYLG-LAUBAEHRSA-N 448.907 0.746 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840801737 IYKMRCFPCHMUKX-KBXCAEBGSA-N 437.896 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@@H]2COc3ccccc3O2)C1 1841550886 JNNXJYFGRMKSOP-MRXNPFEDSA-N 430.505 0.793 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845310320 HUBNHUUABUNIES-UHFFFAOYSA-N 425.206 0.111 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1847041716 CPFRUMHQCSZBAN-OEAKJJBVSA-N 431.493 0.913 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)NC(C)=O)c2)cc1 28619529 JGSMZBPLZBCAEN-LBPRGKRZSA-N 434.474 0.782 50 20 ICGD O=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@H]1COc2ccccc2O1 209386199 KFNPSLGEVLRUDW-XOWYPZSQSA-N 426.381 0.959 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 728260547 HUDSDKFNHHJPHN-UHFFFAOYSA-N 433.402 0.945 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1OC 731496362 LDRSKSVZDMTNNF-UHFFFAOYSA-N 444.429 0.190 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 733128693 LWPKWMRQCKQBGJ-FDIDWWNZSA-N 428.470 0.435 50 20 ICGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117933 JNIJEEZMSPSLMR-CQSZACIVSA-N 438.554 0.156 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(C)C(=O)C2)cc1 740836745 ZCVKQFHCGKFESB-LFIBNONCSA-N 436.472 0.642 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C(=O)C1 741171869 AAVXWFRSFIKDCA-OAHLLOKOSA-N 434.449 0.053 50 20 ICGD CC(C)NC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 745145307 BPYRLDNJXJGYIV-SAAWKEMMSA-N 446.551 0.119 50 20 ICGD COC(=O)c1csc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 749152492 RGDKYHHOMIJAAH-UHFFFAOYSA-N 446.532 0.760 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751212085 ZVYOYWYYXVSHFM-UHFFFAOYSA-N 438.531 0.970 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1 755249758 LUTZVLNQIZZXGE-CQSZACIVSA-N 428.511 0.422 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 755407484 MGIGPPOGOMGBSO-UHFFFAOYSA-N 447.473 0.725 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1F 763808719 PVKMZZMEGMDSBF-UHFFFAOYSA-N 436.352 0.916 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 764002630 OWFOROPYDPFSPX-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(-n2cnnn2)cc1 764063738 XJCDTQDORFDXCH-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3ccc4ccccc4c3)cnc2n(C)c1=O 764064066 CKWRRMHASZIOFD-UHFFFAOYSA-N 446.423 0.185 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1-n1nnnc1C1CC1 764172478 XODXFWRZWRWUCT-UHFFFAOYSA-N 439.432 0.860 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 764228276 WZGDQXFLEAZYCK-JTQLQIEISA-N 430.458 0.171 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764354053 LEUYAXJPJKNTLV-ZDUSSCGKSA-N 433.490 0.487 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764355968 NQMWWHLCFLZXAA-UHFFFAOYSA-N 444.455 0.841 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 764512349 GLXDVRKIEKOLKR-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)c3c(C)c(C)nn(C)c3=O)n[nH]2)cc1OC 765227562 BTKWIDJQIVHWJK-UHFFFAOYSA-N 426.433 0.879 50 20 ICGD Cc1nc(-c2ccc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)n[nH]1 766647987 GKRLUXOYJIZABO-UHFFFAOYSA-N 447.499 0.999 50 20 ICGD CC1CCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 767403457 KUSAOHHIYWBEBA-UHFFFAOYSA-N 436.534 0.881 50 20 ICGD CC(C)[C@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 771100927 XRIPOICVDCEWPG-IBGZPJMESA-N 427.523 0.195 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 772208808 WXPSMERTYWHWNY-ODXCJYRJSA-N 434.449 0.260 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)n1 773723622 DRWWLLVCLFHDFW-UHFFFAOYSA-N 433.226 0.910 50 20 ICGD COc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)nc1 775083690 IVZRLHGDCGNZMB-UHFFFAOYSA-N 435.510 0.248 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1C 782897585 RCOBCRKVEWEASR-UHFFFAOYSA-N 449.537 0.849 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 783423844 AVTLXYYQZVRTHO-SFHVURJKSA-N 444.941 0.862 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1nccnc1Cl 784781169 DQXKFCVVKFOZBP-UHFFFAOYSA-N 434.840 0.835 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(NC(=O)NN(C)C)c1 788255451 NCXFXQHTUDGZHK-GFCCVEGCSA-N 437.526 0.941 50 20 ICGD Cc1cc(C(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1[N+](=O)[O-] 794065820 QCQDYRKGOBMTFS-UHFFFAOYSA-N 443.416 0.707 50 20 ICGD COc1ccc([C@H](C)C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 794524665 OOWIGKXSHFKPIH-GFCCVEGCSA-N 442.476 0.747 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 798323461 YPQVPSYCYXODAK-UHFFFAOYSA-N 428.467 0.671 50 20 ICGD NS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 799857911 XLAYXVFLRNKJAX-UHFFFAOYSA-N 430.284 0.710 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1Cl 802071661 GBMSPXOENSVSIX-UHFFFAOYSA-N 435.890 0.425 50 20 ICGD C[C@@H](Cc1cncc2ccccc12)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 805191830 RNJICIURQVOAMK-ZDUSSCGKSA-N 449.471 0.008 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978501 DJOGCZPLMQZZBM-STQMWFEESA-N 443.485 0.248 50 20 ICGD C#CC[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 809722933 NGBHVZXONALYLU-NRFANRHFSA-N 429.477 0.752 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n[nH]2)cc1 810147551 NIRCXGGRMDXXHI-UHFFFAOYSA-N 438.469 0.996 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1cc(CO)ccc1O 814710440 OAWJGDINLFCJKL-UHFFFAOYSA-N 447.513 0.988 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1OC 913415743 ZUONYAVCTXLGFZ-UHFFFAOYSA-N 448.457 0.324 50 20 ICGD COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 920091145 WZLZFVQBMDGQEF-KGLIPLIRSA-N 440.928 0.973 50 20 ICGD COc1cc(OCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1[N+](=O)[O-] 921019369 JKKUOMBHKHUEFT-UHFFFAOYSA-N 427.373 0.690 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(CC#N)cc2)cc1 1318966560 WVRLLXATPQNKJM-UHFFFAOYSA-N 436.515 0.691 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)CCBr)CCO4)C3)CC2)CC1 1781107745 WXWXOCJTKYZWEQ-GOSISDBHSA-N 443.386 0.381 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331621 URLBHIPVWNGRMH-ZOWXZIJZSA-N 435.319 0.533 50 20 ICGD O=C([C@H](F)Br)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1781334456 NZIOBTRSMCCBKL-ONUSSAAZSA-N 446.317 0.908 50 20 ICGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c([N+](=O)[O-])c1 1781408167 GJHDOUSJWKAYDQ-VQIMIIECSA-N 441.868 0.576 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781929815 LBUYGGTWMUSBEQ-OAQYLSRUSA-N 446.215 0.108 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)s1 1782209495 UBVYIHFMLPPWDO-FOIQADDNSA-N 437.566 0.952 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783349987 XTTZNGUQPOZSOZ-BDJLRTHQSA-N 429.319 0.323 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1783851825 KMIUGZRJWRZQNZ-DZKIICNBSA-N 447.923 0.948 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783966308 DRXZMZUVNYRWMM-WGIXJMRHSA-N 448.358 0.148 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)o1 1784693660 BPHBMOZHCXVZKW-OWQGQXMQSA-N 427.461 0.494 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785218076 SZDADVMSCGPPPF-HVTMNAMFSA-N 448.249 0.462 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 1787509076 ZBCAUGYZNAOKCR-JHUKZBBPSA-N 444.517 0.870 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccc1O 1791290957 UGGDJMLWZBDEJY-BXWFABGCSA-N 448.520 0.367 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccc1 1791512439 SNXCQVCAEWIHMO-LQJIQPLVSA-N 425.294 0.022 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983140 FRPIYTOULNYPDE-YIDVYQOGSA-N 443.928 0.092 50 20 ICGD CCc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794376937 QQGBXKYGQJNICL-HBCWATKFSA-N 438.488 0.160 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nc2ccccn2n1 1796102618 XDWFOWJGFMSXTP-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2 1796441319 YHICIHYNWKQNQQ-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)n1 1796592883 BESIWRYZVJMDPT-HGTKMLMNSA-N 443.342 0.764 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797058667 HTKGQECUOSNJAE-JFILPPLUSA-N 436.310 0.964 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C)n1 1797751855 VYXNIOWVQOLCIF-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)n1 1797911127 LIMUQMXCMUNGLP-DABQJJPHSA-N 431.320 0.680 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798497585 CWWMZFGRULJAFF-HBCWATKFSA-N 445.552 0.144 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1799682504 VCTYXXKTYYOPHK-IARIHHJXSA-N 445.589 0.271 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1800973785 GPOHXKWBVYLWJW-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2 1801009591 PLBBAZNSQMDQIO-IVWMJMPLSA-N 439.900 0.017 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nccs1 1805937558 VFSGNEJAHVCOLJ-AEFFLSMTSA-N 436.302 0.851 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1806048286 XUNYBCJKZBZQER-INIZCTEOSA-N 444.598 0.271 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361983 JHMIDJFOPIJWNM-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1808314240 WIEDSANRFULGHP-UHOFOFEASA-N 434.859 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cn3ccnc3)C2)CC1 1808608982 OXGIYNJWHHWCTL-UHFFFAOYSA-N 425.493 0.427 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980221 NDDIBVNZGNJFBU-KRWDZBQOSA-N 438.337 0.977 50 20 ICGD CCOCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298584 JHILIKOPOLBWCG-KXBFYZLASA-N 426.477 0.436 50 20 ICGD O=C(CCc1cn[nH]c1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350053 FJAPADAQGCPVOE-OAHLLOKOSA-N 439.306 0.405 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCOC1)CC2)c1cccc(B(O)O)c1 1815361630 LRRJVTNUYUHQCN-ZFWWWQNUSA-N 429.307 0.475 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1817117533 KNWDRVZQHSBTBI-KSBSHMNSSA-N 425.833 0.634 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCO1)CC2 1819796928 IKQZHSJAMISXTI-IINYFYTJSA-N 430.490 0.546 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825936348 VTEAGNCEOOWVPA-JQWIXIFHSA-N 444.517 0.983 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)no1 1828987181 PHQWIROFDFGZCD-IRXDYDNUSA-N 440.928 0.932 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719891 NSAXKRFEKJEIAZ-XERREHJYSA-N 440.924 0.855 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733290 HZUMPKOAJHICQO-CRAIPNDOSA-N 445.831 0.404 50 20 ICGD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736056 QTJPHWYSOHZPNO-BEFAXECRSA-N 430.860 0.261 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3nc(C)no3)CC2)CC1 1834852679 IYNJHVZAFYXZCD-INIZCTEOSA-N 427.933 0.746 50 20 ICGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835879582 FBIQWJLEIKTYFL-CRAIPNDOSA-N 434.375 0.862 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C34CC(C3)C4)CC2)CC1 1837920967 NEHCVEAOTMBPBB-UHFFFAOYSA-N 426.322 0.779 50 20 ICGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cc1C 1838152587 UHPBOGHWJVSPPK-WMLDXEAASA-N 447.305 0.972 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1838528392 UWZPLKVZUOHSHQ-FQEVSTJZSA-N 446.416 0.504 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839153591 LOJSFSRTFMWJTI-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208564 VCRYMTOGHLFSMZ-SWLSCSKDSA-N 439.734 0.624 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840152184 AOMSVCMRTAIJSE-FZKQIMNGSA-N 444.941 0.739 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCC1 1840185105 LARKGGVSBGNRAH-OAQYLSRUSA-N 438.569 0.642 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840345082 VQXFBVZCBBHMIE-IOHGLXEESA-N 427.299 0.663 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841377726 HHWLNSFLJTUQDM-UHFFFAOYSA-N 430.310 0.695 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012095 DANBKFPUNSOTSM-UHFFFAOYSA-N 428.294 0.117 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cncc3cnccc13)C2 1844264608 PCFZOXXRBOMMLV-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072065 YKELGFMGWJAMAN-XEZPLFJOSA-N 426.366 0.155 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2ccc(F)cc2)c1 15765403 QVIMHPIICVKVRE-UHFFFAOYSA-N 438.481 0.408 50 20 ICGD Cc1nn(Cc2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)c(C)c1[N+](=O)[O-] 16786229 MANQFZXUVZAXTC-HNNXBMFYSA-N 435.462 0.652 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)nc2ccccc21 726281645 BILVNBRDNQKLBQ-JOCHJYFZSA-N 449.471 0.701 50 20 ICGD CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 728510112 UKPHWHPNLYGHIE-MRVPVSSYSA-N 444.329 0.095 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 728574398 ASVKHIPKNFWDJH-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD O=C(COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)NNC(=O)c1ccccc1 730617280 ASTBSSYRHURAAD-MRXNPFEDSA-N 439.424 0.815 50 20 ICGD O=C(COC(=O)c1ccnc(N2CCCCC2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 740321085 WUDYYBNIJCJNSR-UHFFFAOYSA-N 428.405 0.993 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 742589552 QHLCTNKOKKHSCG-GBOPCIDUSA-N 440.378 0.698 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(Oc3cnccn3)cc2)c(=O)n(C)c1=O 743433867 NFHOALXVYPKTEC-UHFFFAOYSA-N 427.446 0.304 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2Cc3ccccc3C2)cc1 744886269 ZTUVULVYNFMGDT-UHFFFAOYSA-N 445.545 0.962 50 20 ICGD Cn1c(CC(=O)NNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)nc2ccccc21 746339474 MTOGLXCNXOESGU-LBPRGKRZSA-N 426.399 1.000 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2[N+](=O)[O-])CC1 747326657 QYJAVNSAMISIIT-UHFFFAOYSA-N 426.433 0.662 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 755439165 CNYIPARAKADCDJ-MAMYYWIDSA-N 443.891 0.940 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1Br 756179234 ZZWIECDFNDFVNZ-HNNXBMFYSA-N 448.295 0.372 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 756202691 CHVCHKUYWBGQMZ-ZDUSSCGKSA-N 446.551 0.492 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 756874187 PIUHUFYXXCRHKU-LBPRGKRZSA-N 427.464 0.512 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)Cc2ccsc2)C1=O 757629396 OYEHZFKFIWWEHR-UHFFFAOYSA-N 444.473 0.636 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(C)c2Br)cc1OC 759636393 BZMKCXABYFCZHA-UHFFFAOYSA-N 441.238 0.818 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1Br 760158294 IVKRXPSLENFXDY-UHFFFAOYSA-N 436.675 0.558 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNc2nc3ccccn3n2)cc1C 760531403 PCCKKNVJNSRDCG-OAHLLOKOSA-N 445.505 0.402 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)n[nH]1 763151768 FRDCUPWJVRXLJL-KRWDZBQOSA-N 435.506 0.906 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2n1 763615245 MGDZODWMFCLVHW-UHFFFAOYSA-N 441.469 0.899 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC#N)c1 763884771 XUDKSFQBUYBGIZ-SNVBAGLBSA-N 435.238 0.723 50 20 ICGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917146 PVTONNRRPPOMNC-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1F 763921793 WGQZZCRIQAROIY-UHFFFAOYSA-N 425.413 0.838 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1N1CCCCC1 764002468 MPZSOSQRFGLQQX-GFCCVEGCSA-N 426.470 0.337 50 20 ICGD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 764319657 RIJHFWBYBAWQQM-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1 764370363 QPRGHYZKTKJVFD-UHFFFAOYSA-N 433.371 0.974 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 764432305 DWRHVLUZIJHPCU-LBPRGKRZSA-N 441.444 0.791 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1CCSC1=O 765755959 VAKTZLCPYNBQCK-UHFFFAOYSA-N 425.942 0.774 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1 771867820 LIEIDOQCIDEITB-CYBMUJFWSA-N 427.479 0.293 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C1=O 772205578 BHKRZYYPFSSUPM-YEJXKQKISA-N 448.476 0.587 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(I)cn2)n1 773529168 QNSOJSJHHOHXEI-UHFFFAOYSA-N 442.217 0.286 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ncc(C)s2)c1 782120590 GNEMTIAGBVQVME-UHFFFAOYSA-N 439.519 0.882 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 784003862 QOXMNJBDVFYFIU-UHFFFAOYSA-N 426.458 0.509 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCC(S(N)(=O)=O)CC2)N(C)c2ccccc21 785581729 TWMHXYBKQOCZLI-UHFFFAOYSA-N 431.518 0.937 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn(C)n3)c2)cc1 785670090 MDBRRBPCYPWUCT-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 790342507 VLEHVCVYQACYPO-UHFFFAOYSA-N 438.853 0.956 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 790382516 UYFPWIYXMVEAIL-UHFFFAOYSA-N 435.524 0.734 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1OC 795736391 ANXFMLNSORSRIV-LBPRGKRZSA-N 433.383 0.892 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1Br 798325559 NTZIPFUNIVZUJW-UHFFFAOYSA-N 444.263 0.642 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 799259146 UHOJFTDDXNKFNH-NSHDSACASA-N 439.881 0.355 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Br)cc1F 815692258 NFDYWUSTCILKOG-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)C2(CC(=O)OCC)CC2)c2ccccc2c1=O 821126993 DDZTYHRGHZNHSN-UHFFFAOYSA-N 436.490 0.857 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ncc3ccccc3c2=O)c1 912985607 OYVLHNBFGMMLQW-UHFFFAOYSA-N 429.458 0.108 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(OCC(N)=O)c1 913317803 MMIGLENLVZFFLD-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 918223498 IKHPQFSPSNFKON-UHFFFAOYSA-N 438.448 0.274 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2)cc1 919687302 PRPIFAOIHFSZNY-IAGOWNOFSA-N 443.591 0.888 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3n[nH]c4c3CCCC4)ccc2O1 1116357486 XYRQGFSJBJKQAP-INIZCTEOSA-N 434.474 0.778 50 20 ICGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNc1nccc(N2CCOCC2)n1 1253040480 AABZHHBAHBGMQU-UHFFFAOYSA-N 432.525 0.956 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(F)cc(F)c3)CCO2)C1 1779032752 UERXRZOCUZRTDB-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783900919 JOOYXKSEFHGULA-HRAATJIYSA-N 449.577 0.481 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1783933927 NMZKPPRQYXBJOD-JOCHJYFZSA-N 446.504 0.161 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCOc3ccccc3)CCO2)C1 1783936113 GKWQQKDDCBVGDE-JOCHJYFZSA-N 432.521 0.658 50 20 ICGD Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785961742 AVUFHTJXYFACBO-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n[nH]1 1786981093 QXFMQZBEXBBDOL-KNBMTAEXSA-N 440.309 0.120 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925550 GNKSNVFJHSSSOJ-PEDHHIEDSA-N 432.294 0.584 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790643776 VYXUUIMFZSDURT-YTFOTSKYSA-N 428.331 0.992 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868713 MOPYKBULXNMYIN-REBRKWNGSA-N 432.359 0.769 50 20 ICGD CC(C)(C)OC(=O)N1CC=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1793225568 IZJIQPNPDPCIJH-FZKCQIBNSA-N 443.928 0.353 50 20 ICGD Cc1ccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795740897 MPIJOPCXOMPUDD-KMSZAZNYSA-N 440.330 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)c2ncccc12 1797577559 KNIJHHKLDULJNU-YVWYUNDQSA-N 442.520 0.150 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2)[C@@H](F)Br 1799348574 KSIDNTPHPXLSMB-JTGULSINSA-N 444.183 0.717 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800762594 FGHYKZCMEIKHJH-JAMKOXHTSA-N 427.343 0.952 50 20 ICGD COc1ccc(COCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1801106280 VNHWHPRJNSZIKS-LORHWOILSA-N 426.897 0.401 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802246796 OGVWFTCTTSMZAH-LJDSDSDDSA-N 440.305 0.374 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803618249 RIGJJIZIRDQSDU-OQRYQMPQSA-N 433.553 0.867 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)CBr)C3)c(=O)nc1O 1804087223 CLHKQVKUIFMRLZ-DEQVHRJGSA-N 441.326 0.927 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cccn2)[C@@H]1c1cccnc1 1807638113 CVQKVWUQVFVNRM-UWJYYQICSA-N 427.509 0.357 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811084062 XYFCRBVEWANKPE-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1 1813070366 IDDDOUSYVMPXJA-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1F 1813071721 WGEHBUMHORKGIJ-YWZLYKJASA-N 445.499 0.945 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1813078106 NWYFQZAJJGRGSR-SLEUVZQESA-N 433.292 0.956 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1 1817476813 RCBINDDNCRMGFY-GOSISDBHSA-N 432.249 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCCO)n[nH]1 1820924820 WWJVMAQHSFLUAQ-DXRSZSRVSA-N 445.480 0.545 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822630591 NEBLOADIZBQEFS-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1 1826357762 MQEMGTOZBHETHN-CABCVRRESA-N 431.375 0.984 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830375978 HZNAKKJDEUHRPF-WFASDCNBSA-N 447.305 0.848 50 20 ICGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830732080 QXIQMIXCEAZLJV-YLJYHZDGSA-N 425.913 0.422 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477692 OPHAZWXVFWGUQM-KDOFPFPSSA-N 448.358 0.531 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3)CC2)CC1)c1ccc(B(O)O)cc1 1834800660 WGCJKNMMLHGNML-FQEVSTJZSA-N 445.394 0.447 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797803 DOHFHBLMBWDYPX-BZNIZROVSA-N 447.355 0.969 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nc3)CC2)CC1 1836144729 MSUCWULACLQICZ-UHFFFAOYSA-N 446.552 0.345 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1836360207 FQNVGDKXRUULTB-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836386356 QQYHTHKHEINLDN-KXBFYZLASA-N 444.937 0.743 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836413934 RJZUSMQGZWFMSQ-IAQYHMDHSA-N 435.338 0.773 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1Cl 1838308605 QFBRPXQCCBUCBX-GOSISDBHSA-N 444.992 0.995 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200899 RTTMYTTUGMHUQV-SUXZAAGHSA-N 443.335 0.292 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839962453 FRFSLKFIRJWQRX-CRAIPNDOSA-N 442.310 0.564 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840150248 IIHISCJEAOXQSY-FXAWDEMLSA-N 425.913 0.724 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840154229 QDIIWUAMUNQDSA-BEFAXECRSA-N 437.884 0.053 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1)n1cnnn1 1841925299 IURBQJUDIBNDBE-STQMWFEESA-N 441.920 0.570 50 20 ICGD O=C(c1cn2ccc(Cl)cc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013944 HEZQEQBNNPABOS-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1C 1844835419 XKZDOLHWGBFALI-LPYMAVHISA-N 427.465 0.380 50 20 ICGD CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038643 CACLPDGQOGSPGQ-SFHVURJKSA-N 430.553 0.534 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)C1 1846384061 YSPGJGYENWBBKX-DLBZAZTESA-N 436.553 0.932 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC1CC1 9889668 MEZUKEQUEIWXQP-UHFFFAOYSA-N 428.898 0.554 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 28752137 IAIIQTGRYFFNGH-CYBMUJFWSA-N 437.928 0.394 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 28810534 NFHZOGSLODOTON-MRVPVSSYSA-N 427.298 0.202 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc(OC)c1OC 46899826 UQVJUZQIMFQGFO-UHFFFAOYSA-N 438.462 0.189 50 20 ICGD COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 727100354 QXTWEPSCROIKAD-WMZOPIPTSA-N 445.497 0.748 50 20 ICGD CC(C)[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCCC1=O 728214178 KGJCVZDWYHRISJ-LJQANCHMSA-N 437.566 0.713 50 20 ICGD COc1ccc(C(=O)NCCN2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 732203875 KQLXFTNSBJUXSI-KRWDZBQOSA-N 433.553 0.625 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C[C@@H](C)O[C@H](C)C1 741027468 ZQHNWAAEDFLBNZ-OHRYMORCSA-N 449.504 0.651 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)c1cc(Br)c[nH]1 741741575 ZEMLSAKNWSFKKI-LBPRGKRZSA-N 437.254 0.729 50 20 ICGD CS(=O)(=O)Nc1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C2 744390710 JJCQYTQZPKBVSK-UHFFFAOYSA-N 427.486 0.749 50 20 ICGD Cc1cc(Br)ccc1NC(=O)CNC(=O)NNC(=O)C(=O)N1CCCC1 748446149 GVGDCLISPGITQC-UHFFFAOYSA-N 426.271 0.649 50 20 ICGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1F 751202882 XYDWBHCVIDXMDK-UHFFFAOYSA-N 426.426 0.296 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1OC 752048959 RZTPAPPHBURGKD-UHFFFAOYSA-N 427.413 0.745 50 20 ICGD CC(C)COc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755988520 AESRMYZBFSRLMJ-UHFFFAOYSA-N 443.464 0.321 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NN=c1cc[nH]cc1Cl 757421604 HTJIGWVZHIWFKV-UHFFFAOYSA-N 426.882 0.943 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 758040840 SHLKPUUUILLWPK-BLLLJJGKSA-N 448.501 0.235 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c2ccccc2c1=O 760204761 SOPLMFBBWYTZEP-BBRMVZONSA-N 444.492 0.564 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763550759 GMLNXCJRDWMHBW-UHFFFAOYSA-N 428.401 0.330 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c2ccccc2O1 763784228 BUSQHHPPXPEDQJ-AWEZNQCLSA-N 429.454 0.965 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763838857 WBPFCTMPXLRWEZ-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 763977856 WOYJGVBWJDOJFK-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)ccc1F 763978834 AYOUMDLNMDANOU-UHFFFAOYSA-N 425.442 0.630 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764004110 ROASGUNUJXSYMX-UHFFFAOYSA-N 428.401 0.112 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764165404 YNSMPJJVEHZUDT-INIZCTEOSA-N 431.412 0.537 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 764227795 RTRGGSQEZYUJEL-SNVBAGLBSA-N 439.494 0.440 50 20 ICGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764263396 HERYCQSMBQLLDU-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764526446 ZCYIZTODPZNQBG-AWEZNQCLSA-N 446.485 0.850 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 764552310 LQYDHEKNLJLYHL-STQMWFEESA-N 434.449 0.979 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O 773411393 KGRRQTJHKRPTHR-CABCVRRESA-N 425.530 0.191 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(C(F)(F)F)n1 773541097 GIPVWQPMFBAMMS-UHFFFAOYSA-N 436.391 0.830 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776054523 GQZMRRNWGMMQKY-NSHDSACASA-N 443.507 0.803 50 20 ICGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 784668825 VMGOTWVTPGGAGF-UHFFFAOYSA-N 436.519 0.889 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cc(Cl)ccn3)cn2)C[C@@H](C)O1 784856532 QDIPLQMSWWXPAH-TXEJJXNPSA-N 435.872 0.649 50 20 ICGD COC(=O)c1scc(C)c1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 785490197 ZRDBULQRDUVLEP-UHFFFAOYSA-N 439.519 0.859 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1C 787541955 YPFJOLOOAWWYCG-UHFFFAOYSA-N 428.493 0.932 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)nc21 810400524 IDRJTTSXTAITPZ-UHFFFAOYSA-N 446.276 0.797 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 811023355 HNXANURIYHNBGN-UHFFFAOYSA-N 442.885 0.656 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)cc2Br)c1 814364278 YPCAFNIULXDGTF-UHFFFAOYSA-N 430.284 0.508 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(C(=O)OC)c1 815564398 HUIOEJAVNOSVBN-UHFFFAOYSA-N 429.385 0.748 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2O1 815779327 ANJPVPRYHVNRTB-IAGOWNOFSA-N 432.477 0.412 50 20 ICGD CCC[C@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 821132646 USLIAZYDCMSZJK-GFCCVEGCSA-N 434.540 0.584 50 20 ICGD C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)C[C@@H](C)O1 874090222 BPRRAPWERCRVEM-MELADBBJSA-N 439.948 0.744 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)C[C@H](C)O1 912921030 HYVCPOUUWPLVQP-STQMWFEESA-N 441.326 0.826 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCCN2CCOCC2)nc1 916505034 MDYZNGSUJMYQAU-UHFFFAOYSA-N 428.559 0.851 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 919889523 NTSKWTYICWFQIW-LLVKDONJSA-N 435.911 0.164 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)COc1ccccc1OC 1251730087 HUGKOESHWUPDCL-HNNXBMFYSA-N 425.449 0.510 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1324581782 DFBARJZXIRNXJZ-UHFFFAOYSA-N 445.509 0.129 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)CC(F)(F)F 1330878547 DHCIUSVHZICRSV-LLVKDONJSA-N 443.831 0.973 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@H](F)Cl 1778028583 YSLMWQKHEUBJIE-AKWBHNSASA-N 437.946 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1779031687 DNKITIXNTZUGQE-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccccc1)CCO2 1779035006 ZLDMUPZZWZJOPI-JXQFQVJHSA-N 449.511 0.932 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1781900891 XQBRAKWFHOZPQR-WOSRLPQWSA-N 439.372 0.718 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1782179859 WDTDVIDQRFFAQP-LXGFNABISA-N 445.004 0.390 50 20 ICGD CCC(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1783091080 XLJRBNYFLAFWTC-FQEVSTJZSA-N 433.417 0.943 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784513965 YQRJADHJJMAZJV-AVGNSLFASA-N 437.356 0.657 50 20 ICGD CC(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786353312 KVMCAHXKLHVFKU-UFYCRDLUSA-N 445.564 0.968 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1[nH]cnc1-c1cccnc1 1789193948 UEXPFUKOGQYVSV-VGWMRTNUSA-N 433.896 0.665 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C1CCC2(CC1)OCCO2 1790734080 HRWCHQWUTLQBPN-QAETUUGQSA-N 430.929 0.499 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1794034055 PSBFWUXVAXKSNR-FVCICTRLSA-N 441.326 0.509 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)s1 1794688482 VXRUFPFJZWWDPL-FVCICTRLSA-N 434.710 0.598 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cn2cc(F)ccc2n1 1796191353 CDLRDBJFVQYALX-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n(C)n1 1796889823 KQXGLBCKXCITLB-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@H]2C[C@H]2C1 1797632501 MWCCPOBPWDSOEU-ADMHOZKXSA-N 428.371 0.947 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2 1801010532 CMRKBUNWWUNZMG-YVWYUNDQSA-N 426.583 0.625 50 20 ICGD Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801660815 SNPMKPVVVBBZHB-HBCWATKFSA-N 441.463 0.650 50 20 ICGD C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)C1(O)CCC1 1804833666 FHCRQQJJCWLRAU-QGZVFWFLSA-N 428.338 0.762 50 20 ICGD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805822688 SVJUFYSSRSEQIT-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374590 ICQDXABKIYDPHP-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnccc1F 1807824038 CAUDMNGWRSBIJV-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978494 WBZNKZRZDMLCLP-UHFFFAOYSA-N 438.236 0.321 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnn1 1810722387 BBSVLNGIFHKVBY-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813075027 WWZBOFGURLNHQX-UWJYYQICSA-N 442.524 0.142 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819597303 QSTVWXDRYYCVQL-INIZCTEOSA-N 441.605 0.540 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n1 1822414354 SICVKOCZAUBGSC-CQSZACIVSA-N 432.485 0.709 50 20 ICGD CC[S@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088684 ZRNRYZRKPIUCIP-ZNNHIBJESA-N 443.595 0.587 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCBr)CC1 1826937058 PAOPCTOWVFXGTI-GJZGRUSLSA-N 431.375 0.984 50 20 ICGD C/C(=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1)C(=O)O 1828924938 AFERPSBMIGXBBQ-RXXLQFRUSA-N 443.504 0.949 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CCC1)CCO2 1829681329 QXWCVPBBMMKJAG-OLCUMFGGSA-N 445.520 0.767 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(OC)c1 1830732081 QXTPQOKAMLYISC-JXFKEZNVSA-N 442.896 0.374 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831429706 PFKRSMSWEDTUPP-FOIQADDNSA-N 429.326 0.124 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487722 MOMLWRRYLXCFMO-DOTOQJQBSA-N 448.402 0.676 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945229 RLNTZCOENLTPFX-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833213274 IQBXMNGSDVQFSR-UHFFFAOYSA-N 441.960 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccccc3O)CC2)CC1 1834048072 DXBIQHWNQYOEIB-UHFFFAOYSA-N 445.564 0.950 50 20 ICGD O=C(/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2)NC1CC1 1834823331 OGKLTLNWTMMWKO-DDKKJVIOSA-N 444.326 0.063 50 20 ICGD O=C(c1ccncc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837819960 DUZWYCIBQRLBCZ-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)c(=O)nc1O 1838087026 XNRHFQDRWZVYTN-MRXNPFEDSA-N 444.891 0.790 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838509202 AGRBUNCJBJOAAX-LRDDRELGSA-N 429.861 0.691 50 20 ICGD O=C(Cc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839059781 DWTGDYYYNSUSEY-WBVHZDCISA-N 430.274 0.771 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840101103 XCWDXAOLSMNWJI-FXAWDEMLSA-N 436.896 0.092 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149576 SYAUECTWOWARDE-OXJNMPFZSA-N 441.912 0.804 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840151794 NPDKGRYSXFSCHN-KXBFYZLASA-N 428.917 0.535 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152297 DVJDPUBVDKIZAI-KSSFIOAISA-N 431.873 0.145 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840152441 IEODFXMSCPVAMC-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2 1844263207 DWZQOLXWJBUSRC-UYAOXDASSA-N 449.511 0.798 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845223676 CAWQVRBFZFDRDM-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1c(Br)cnn1C)C2 1846384813 LVZFMBIDTSODDO-UHFFFAOYSA-N 441.330 0.373 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1847044169 JCLAPRYHLMQMIV-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD O=C1c2ccccc2C(=O)N1CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556342 IJXJMGFEVGGDRN-YESZJQIVSA-N 433.892 0.864 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)c2ccccc2C1=O 15315082 DNXZFFXNQBPQDG-UHFFFAOYSA-N 435.484 0.642 50 20 ICGD O=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 24291466 RCKFMTHIQJMPPZ-UHFFFAOYSA-N 431.474 0.556 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 725740599 HMJKPODLAVULEE-DZGCQCFKSA-N 434.449 0.139 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 726076512 VITGZTWHAHCBBK-UHFFFAOYSA-N 448.542 0.334 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[C@H]1CCS(=O)(=O)C1 728179037 NOWSMOKPDXVEDK-GJZGRUSLSA-N 435.502 0.568 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@H]1CCS(=O)(=O)C1 728179358 IQQUTTKPZPJETC-ZDUSSCGKSA-N 435.593 0.567 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 728180991 YQBLMBNJCRLZSV-JTQLQIEISA-N 444.362 0.764 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc4ccccc4n3)cnc21 728502007 UYRVUBHZDHMUGP-UHFFFAOYSA-N 426.414 0.206 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731809570 LXKMRVGIEHWPAO-UHFFFAOYSA-N 426.458 0.882 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)nnn1-c1ccc2c(c1)OCCO2 732262730 VYKVQOWZEDDRQC-OKILXGFUSA-N 444.492 0.607 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)CN(C)C 733359450 IQACJMOQBRDTTG-AWEZNQCLSA-N 435.344 0.461 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 734241846 WMKMEEAZOQHQEM-UHFFFAOYSA-N 433.462 0.666 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1c1ccc(C)o1 736549597 IQGAPOMWSQSHSA-MJBXVCDLSA-N 442.494 0.768 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737765105 ACGRDAJACTTYFD-UHFFFAOYSA-N 449.471 0.314 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](NC1CCOCC1)C(C)C 740749357 WBIAJZAMNFKXLC-OAHLLOKOSA-N 425.555 0.842 50 20 ICGD COc1ccc(OC)c(CN2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)c1 740874057 WRTCKFPKINSJAU-UHFFFAOYSA-N 447.561 0.976 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2=S=C3CCCC3=C2)cc1 742034375 MTQMODTZJGCXEL-UHFFFAOYSA-N 435.527 0.511 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 742472785 RBJIMBKSCNNMGB-YLGOIMDESA-N 447.444 0.026 50 20 ICGD Cc1nsc(N2CCCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)n1 743589430 USWWMMUZIUUAJO-UHFFFAOYSA-N 445.553 0.806 50 20 ICGD CCCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 745865910 WDIZTLFAVMBOEC-UHFFFAOYSA-N 439.586 0.518 50 20 ICGD Cc1cnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 745877393 WOSPEPJVKBDUJC-UHFFFAOYSA-N 425.540 0.609 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)N(C)C)c1 746003322 GTIKNKCCYMWVMQ-UHFFFAOYSA-N 427.527 0.470 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1ccnc(C(=O)NNC(=O)c2scnc2C)c1 746224703 QOHVAMULQJBGBZ-UHFFFAOYSA-N 445.486 0.761 50 20 ICGD O=C(C(=O)N1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1)N1CCOCC1 750853306 GEPFCTPQVAQHOH-UHFFFAOYSA-N 443.953 0.550 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 754416905 NZWUHNXHEVRGOM-UHFFFAOYSA-N 427.438 0.879 50 20 ICGD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 755654873 GLICRUKVFCTDHS-INIZCTEOSA-N 431.357 0.748 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 756226099 WWRAJNBRVPQIOG-IBGZPJMESA-N 445.457 0.053 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(F)c1 758044649 MJCVTUTXYXDKHH-LURJTMIESA-N 429.211 0.129 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1F 763429913 BYDJQDGVGHNUTN-LBPRGKRZSA-N 444.419 0.907 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2-n2ccnn2)cc(OC)c1OC 763539104 IQHQULTUADMGHF-UHFFFAOYSA-N 440.416 0.693 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763713160 VLCUYOAEXHMNHP-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 763823454 CCZGVZJEYDFCAB-INIZCTEOSA-N 425.445 0.016 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)CC1 764035275 QQFQDZBDZSHMEN-UHFFFAOYSA-N 429.502 0.464 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)nn1CCCOc1ccc(F)cc1 764434277 PWESPRWMAWIPTM-MRXNPFEDSA-N 449.439 0.301 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Oc3ccncc3)c2)n(C)c1=O 766641527 ZKMMSQSEBWDADU-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD CC(C)(O)C(=O)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 768246336 JAXZZBBVZLLUMX-UHFFFAOYSA-N 429.495 0.215 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)nc21 770979551 IHMLETUDBCHRLQ-UHFFFAOYSA-N 443.445 0.897 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O 772898883 UTVYJIYCTIOOCT-LLVKDONJSA-N 435.868 0.357 50 20 ICGD O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NNC(=O)C(=O)NC1CC1 774323614 PFNIUJOBYUJFBP-UHFFFAOYSA-N 429.502 0.615 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C 778437148 UMPNUJFZUFWODC-UHFFFAOYSA-N 428.511 0.644 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 784002168 LAPOXFOVJATKBY-UHFFFAOYSA-N 447.835 0.576 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1O 794598644 KWWLGGOQVBQXJQ-UHFFFAOYSA-N 436.446 0.587 50 20 ICGD Cn1nc(SCC(=O)NN=C2c3ccccc3CC23CCOCC3)c(=O)n(C)c1=O 794886420 JTHWDYQUCYUDRJ-UHFFFAOYSA-N 429.502 0.445 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)COc3cccc(C(F)(F)F)c3)ccnc1-2 806973327 LJAAHNJJVNHBGR-UHFFFAOYSA-N 436.350 0.526 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(OC)c1 808266493 PBYRZYGYCOFLNM-ZDUSSCGKSA-N 440.522 0.852 50 20 ICGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 812692822 AGANXMXFIKFHOZ-UHFFFAOYSA-N 434.518 0.878 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(CCN2CCCC2)cc1 815691655 XCRVSALFCTWILB-INIZCTEOSA-N 425.493 0.265 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 817051312 JUGCQZRCIDJDFE-CVEARBPZSA-N 436.534 0.821 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 818515436 WHFXIEXJYMFURC-UHFFFAOYSA-N 440.459 0.752 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 912953106 NYZABMBHYPOINC-PMPSAXMXSA-N 437.518 0.254 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 914466274 LVAWDKMGFZQRHA-ZDUSSCGKSA-N 435.543 0.961 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CCS(=O)(=O)C1 914536704 GQXBAXHACFXFLA-GHMZBOCLSA-N 434.312 0.982 50 20 ICGD COc1ccc2c(c1)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CO2 914828329 NSQGBWLFHKFKPU-AUUYWEPGSA-N 442.424 0.777 50 20 ICGD C[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])C1 919886455 TVMOSPWLWQUNIK-TZMCWYRMSA-N 439.494 0.962 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1255250395 NHGQRDHEEZIECJ-ZIAGYGMSSA-N 443.526 0.053 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cncn2-c2ccccc2)s1 1321725292 OELRIPYZEYIVNT-UHFFFAOYSA-N 434.503 0.986 50 20 ICGD COC(=O)C(=O)NNC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1323432810 NCOQUNMSVBXDGU-UHFFFAOYSA-N 431.415 0.721 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1779035816 QJDUWJDZTNJCHC-LRDDRELGSA-N 435.388 0.331 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1780097235 TWQYHLWNWDTMLF-HXUWFJFHSA-N 448.432 0.052 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1781899903 CXAYRAQYHHNCAS-JJRVBVJISA-N 428.331 0.966 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933026 OSXZLQGYZWNXGY-DYVFJYSZSA-N 433.347 0.220 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1783990529 DVRWLCMBXSOYBY-HPCHECBXSA-N 437.896 0.386 50 20 ICGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)C(F)(F)F 1784875636 GWBRHXPMVIHSNQ-JHXPXUMGSA-N 435.212 0.970 50 20 ICGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)c1ccccn1 1786406044 NRGRMZLGNORCAJ-GZIXRCOHSA-N 425.327 0.846 50 20 ICGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]32)CC1 1788195278 TXQZYOWLBJQDJT-IUVQAAGXSA-N 435.396 0.450 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764818 WSDBSYPJCDGLGW-VGWMRTNUSA-N 428.606 0.525 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)nn1C 1789401809 PZESSDLKEFCTRG-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD CNC(=S)NCCC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1789527808 RVGZWXHUUIBABB-UHFFFAOYSA-N 448.593 0.978 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790638491 GCBUSJACOVPVGD-MRLBHPIUSA-N 428.331 0.850 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1791249957 UUVRMJXXGKOVMU-AFIMGQEJSA-N 435.912 0.665 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)n1 1792868013 NLJKYIMGCXRWRN-AYDFFVQHSA-N 443.342 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C 1792988461 CGBXWOIXPKVTAV-RBZJEDDUSA-N 447.960 0.991 50 20 ICGD O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795847077 AHGPEYXJTQAXIN-RDBQEKCUSA-N 432.246 0.290 50 20 ICGD Cc1ccn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c2c1 1796191083 XENDUVCCDKBISA-REPLKXPHSA-N 432.289 0.888 50 20 ICGD O=C(CS[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191548 XDOULBLHQIMFQJ-DMUMMCEESA-N 432.351 0.878 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccco1)C2 1797749865 ZRZXDOMALDLWIM-GFYLOJAKSA-N 425.445 0.195 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797778817 FFHCLQGLMDDSLF-XLFUENPSSA-N 426.315 0.650 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442036 SJMCSYRZWIWVTG-QDMKHBRRSA-N 425.493 0.520 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)[C@@H](F)Br 1799347271 KLAKHVJUURLZDC-RDBQEKCUSA-N 444.257 0.747 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360483 BBPGMMZKKSYLFV-RYQLBKOJSA-N 429.232 0.736 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cccn1 1807374804 NLGNRBOUEXLOHS-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2=COCC2)[C@H]1c1cccnc1 1810308088 IVKTZUJPZOLSGA-KXBFYZLASA-N 436.472 0.704 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1817121523 MBTMEGHKUFZLJF-RRAGMBSWSA-N 426.821 0.029 50 20 ICGD O=C(CCn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059875 KDQSNULVFDZOHA-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830534521 AWSQPYJTKIITCV-HDMKZQKVSA-N 431.327 0.512 50 20 ICGD CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccn1 1830738070 LJVGBQCHNDILFL-YWZLYKJASA-N 425.913 0.415 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)CC1)[C@@H](O)CCl 1833312511 WVURJEQKAHUQPR-PMACEKPBSA-N 437.968 0.761 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c[nH]1 1833376338 PVBCJGDMVLIUDR-MGPUTAFESA-N 427.929 0.982 50 20 ICGD CC1=C(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CCO1 1834799969 JMTFJFMKXYHUFP-UHFFFAOYSA-N 441.337 0.246 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835370393 WMFDUNOFRNXHHF-RXVVDRJESA-N 440.924 0.913 50 20 ICGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835422886 LQJPBIRNGGIDMT-DOTOQJQBSA-N 437.306 0.950 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835588453 AOWBZDJFEBIIAD-JTOWHCCKSA-N 434.375 0.847 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836141011 LHUQGSOIPBPPFS-HNNXBMFYSA-N 425.917 0.209 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717704 HHMTXGWFXBRQFK-OALUTQOASA-N 438.956 0.550 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1837713062 FFFJIVSLTCXBDI-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837717937 RXPVCFIOHMDLRD-FQEVSTJZSA-N 437.569 0.638 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)nn1 1838832621 WIDAUJWVOFBKEB-KUHUBIRLSA-N 442.900 0.199 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198175 WEGGMNLDGKJAGS-WBVHZDCISA-N 447.305 0.647 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnn1 1839707506 WGRCHYMHLAPLLD-CZUORRHYSA-N 430.303 0.081 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840872594 ZARSUHRZYXDDCQ-RVKKMQEKSA-N 433.343 0.900 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840886010 MXTPGKGZNDHAAR-KRWDZBQOSA-N 425.309 0.836 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058461 MRNSXNLNQKJNCJ-JOYOIKCWSA-N 443.273 0.887 50 20 ICGD Cn1nncc1C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1842132794 WZMLOFUZIXTNJM-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnn3cc(C)cnc13)C2 1843416316 VYPGJQORPOBXGA-CVKSISIWSA-N 448.487 0.989 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022593 VEVGDELRHJUYHO-UHFFFAOYSA-N 436.610 0.946 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)[C@@H](O)C1 1847565765 XFEDRDKYNMGWIK-YTFOTSKYSA-N 431.917 0.016 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 28717967 OJJYFLYOKYKXHO-UHFFFAOYSA-N 445.295 0.777 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 725741325 OQYVSBPTZHEIJR-UHFFFAOYSA-N 425.850 0.817 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728368477 JXVVGRFFEWUERA-GFCCVEGCSA-N 449.576 0.047 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)c1 728957163 KUFPFQNSLKWZJO-UHFFFAOYSA-N 427.461 0.840 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240260 LWIWJFHLPBMKAU-CYBMUJFWSA-N 435.481 0.903 50 20 ICGD O=C1CCc2cc(Br)c(S(=O)(=O)NNC(=O)c3cnccn3)cc2N1 734807013 QEUVQBIOPVRJIU-UHFFFAOYSA-N 426.252 0.747 50 20 ICGD CCOC(=O)N[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 735116857 IQRAULCOKNMKOG-HNNXBMFYSA-N 442.542 0.232 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 735510283 LAUZQQZBBCZCME-OAHLLOKOSA-N 436.494 0.022 50 20 ICGD O=C(NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C1=NN2CCCN=C2N1 748013512 SQMOOLQTVNHKCJ-UHFFFAOYSA-N 444.459 0.128 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F 751203908 ADAZHANJJVJBBJ-UHFFFAOYSA-N 428.304 0.989 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)CNC(=O)c1ccco1 751207558 ZCONCGIDTRMEDZ-UHFFFAOYSA-N 437.250 0.739 50 20 ICGD Cn1c(O)ncc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O 751532813 HCOZEMVTFZBROK-UHFFFAOYSA-N 449.470 0.423 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 756185959 FPZAIKYPDCVBCP-AWEZNQCLSA-N 447.517 0.750 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 756800649 BSDHQMCSAWFYFF-UHFFFAOYSA-N 442.524 0.336 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ncc(Br)s1 756895230 JNQFQMWLFSATAO-UHFFFAOYSA-N 440.283 0.193 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)nn1 757401727 DXIXHVORFSJGNN-UHFFFAOYSA-N 443.283 0.150 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 763548535 MMHZWNPBMBSYKA-MRXNPFEDSA-N 427.369 0.144 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] 763719465 YKFBOJWFNPTROM-UHFFFAOYSA-N 449.445 0.553 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc2NC1=O 763746366 SVXBPPHMVZQHJU-ZDUSSCGKSA-N 437.456 0.945 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1-n1cnnn1 763863735 BNOHNWMIJQRPKM-NSHDSACASA-N 443.395 0.363 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 763865006 GPLKKPFFOGVZBV-UHFFFAOYSA-N 429.458 0.405 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(Cn2cncn2)cc1 763943958 HMANYEMMHUEDTM-UHFFFAOYSA-N 446.427 0.617 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1SCC(F)F 763998334 PNGYRNMYSGFCLJ-MRVPVSSYSA-N 439.437 0.704 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c1C 764131414 GMGDIPPQSXAAJC-UHFFFAOYSA-N 434.474 0.240 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 764143897 XWDOMIGTPOEVNK-UHFFFAOYSA-N 435.506 0.823 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c(C(=O)N(C)C)cc1OC 764319660 ROYBZSSLOPSTQA-UHFFFAOYSA-N 446.435 0.873 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccccc2O)c2ccccc2O1 764392898 AEVTUQDQHOYRHI-OAHLLOKOSA-N 444.469 0.172 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764399312 KFUOENQPCYABFP-NSHDSACASA-N 438.462 0.019 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 765734489 ZJHGNOVMSPYBGV-UHFFFAOYSA-N 448.501 0.043 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)cc1 766647369 DYRZBJLDNYMZEI-GOSISDBHSA-N 439.520 0.036 50 20 ICGD O=C(O)Cn1cc(C=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nn1 768475972 GHYQSPASIHIIFW-UHFFFAOYSA-N 431.412 0.885 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 768640478 KCMAMNCYJDVTKG-UHFFFAOYSA-N 427.504 0.822 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)c4ccccc4N4C(=O)CC[C@@]34C)nc21 770974753 QCLDBQPXTQSMAL-FQEVSTJZSA-N 436.432 0.511 50 20 ICGD O=C(Cc1ccccc1I)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 771251442 NMIWOWWTYIKXNE-SNVBAGLBSA-N 437.259 0.351 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCO3)c1 771591380 XCXYAKFNAVFGGT-UHFFFAOYSA-N 439.515 0.885 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772164999 LJVSPNWDKYGFCW-OAHLLOKOSA-N 436.509 0.729 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCNC(=O)c2cccnc2)c1 772223701 SRJPFSPPXWUIET-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD CCONC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 776209987 ATTTTYACEWJIBA-ZDUSSCGKSA-N 430.483 0.235 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n2nnnc2C)c1 778432858 BTTBFMQEUCHDRP-HNNXBMFYSA-N 433.469 0.446 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780388795 GGWXGMVPLNUCOR-UHFFFAOYSA-N 439.515 0.654 50 20 ICGD COC(=O)c1cccc(NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c1 781038859 MUOAFRKAJIKXEW-UHFFFAOYSA-N 440.503 0.592 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967606 UTLAKPDWULACSK-STQMWFEESA-N 443.504 0.478 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1[N+](=O)[O-] 784002672 JDRCLVOOSOZKOW-UHFFFAOYSA-N 442.226 0.374 50 20 ICGD CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784003082 PUNKMVBEPYOHAQ-UHFFFAOYSA-N 426.857 0.464 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1C 784215469 IYBAGWVRZUHXJE-UHFFFAOYSA-N 445.501 0.877 50 20 ICGD CO[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 790959689 QWUIHLQOVUOYHQ-ZDUSSCGKSA-N 432.458 0.734 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 797630458 WLVUAZNKKLSAIC-UHFFFAOYSA-N 429.437 0.241 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1[nH]ccc1C)c(=O)n2Cc1ccccc1 797811439 IDHPYTSGQHWYKF-UHFFFAOYSA-N 449.471 0.526 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 799258827 NBNKXRWYFLLGGY-INIZCTEOSA-N 430.486 0.995 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 807368827 KLPYBCPNGKFEDM-UHFFFAOYSA-N 440.522 0.784 50 20 ICGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 807547335 BYLXDMKAHLNURG-OAHLLOKOSA-N 438.959 0.308 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1cc(Br)c[nH]1 808187683 JTDYFFKXSMTEDU-JTQLQIEISA-N 448.343 0.925 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCc2ccccc2O)cc1OC 810355451 CMCDIZNNURMSDM-UHFFFAOYSA-N 437.474 0.468 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 815566852 HKDQRYCUTKCJKH-UHFFFAOYSA-N 438.400 0.696 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 825644027 PPSHYVYCRAAYKJ-UHFFFAOYSA-N 429.389 0.588 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 913391873 KTEOHCFZOLDDQY-UHFFFAOYSA-N 431.518 0.307 50 20 ICGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 915944723 IGFNHADVIDYFNK-UHFFFAOYSA-N 438.531 0.999 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2S1(=O)=O 916746260 GQXBTJWSUUMTJA-UHFFFAOYSA-N 448.413 0.461 50 20 ICGD Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919883224 BULBTMPVEHPUBS-JSGCOSHPSA-N 428.536 0.573 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 1318231628 VOGODAMQCDDGIT-UHFFFAOYSA-N 425.453 0.004 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)cc2)n(C)c1=O 1335768644 PQZNLXNALDZINW-UHFFFAOYSA-N 440.851 0.628 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705577 BMHIIQQVJCIEBX-VLIAUNLRSA-N 436.896 0.753 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777716695 VQDDITJEVHDEMT-SUYBPPKGSA-N 448.904 0.500 50 20 ICGD Cc1cc(F)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779037067 MGJYJCGUTVBFQT-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780159108 VUHIGYXHFDSQPP-BEFAXECRSA-N 428.844 0.814 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783148962 GINFAWICSMCZOK-CJFCWMOSSA-N 443.504 0.613 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783364952 VEHZPPASDLUWSC-YDHLFZDLSA-N 437.453 0.154 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1783934520 IPBYOGVGTPKRCD-HXUWFJFHSA-N 435.481 0.055 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938107 UMMRYWDZWCKZFO-OAQYLSRUSA-N 434.541 0.175 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1785253315 TWZTWHAOJKZDST-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)nc2N1 1787265273 NRXONXBMKMWHQY-UGQVUOCMSA-N 436.896 0.159 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788699169 LASCJEXZKFEVKW-USJZOSNVSA-N 433.509 0.092 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1791055625 AJEPEZXWVKFABA-RCWTZXSCSA-N 445.232 0.855 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1791254925 WWXRJQHIXOVCJK-ZJOBFFGXSA-N 439.896 0.700 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791293114 JMTFVGRJMZGBBY-KWPSIPDVSA-N 449.577 0.817 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791293139 LJRQEONZCIMCMH-FHWLQOOXSA-N 444.532 0.530 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975712 XEQYMDVKNQWMBB-QKGCVVFFSA-N 431.917 0.185 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792983636 BYZAWNCMNWCGHU-RMEBNNNOSA-N 433.933 0.337 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)nn1C 1793127447 DBNZYBQMPKLNST-DPYKFYPSSA-N 427.343 0.892 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797837190 SCRGCOCFPDPTKV-DPEPCVEMSA-N 443.552 0.006 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800640299 QAVKXDHOWMMOQG-PEBLQZBPSA-N 439.372 0.430 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801296190 YFODSMYCYYDPBN-YIYPIFLZSA-N 433.465 0.499 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2CC(O)C2)[C@H]1c1cccnc1 1803044770 BLJWUWYCRKOQKQ-GKSFYBEXSA-N 438.488 0.171 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805728816 JSCYOAIZBBZPDI-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3ncc(Cl)cn3)CC2)C1 1809968294 QQLFVPSCFWDEID-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070122 FTNKBFHYCCMKDT-UWJYYQICSA-N 441.536 0.991 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813537607 SCHALBJGJQMIIY-UZLBHIALSA-N 440.504 0.826 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1814083599 ODVBMPBFDXRPQG-IFXJQAMLSA-N 436.472 0.379 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814864810 TUTRJWQDTPRIOB-WXHSDQCUSA-N 435.934 0.329 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(=O)oc1)CC2)c1cccc(B(O)O)c1 1815355135 OCOIYVMMCPIKBT-CQSZACIVSA-N 439.258 0.316 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cncnc2)n[nH]1 1815971391 JPUSFLBLSNLHCG-QGZVFWFLSA-N 449.475 0.747 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)c1ccc(B(O)O)cc1 1820330149 YUBMRWCSQBNNJR-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822413931 HVFNFUZZGAMHJS-CQSZACIVSA-N 445.480 0.895 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(=O)n1O)CC2 1826080720 VDHHWHSRMHFBJU-LLVKDONJSA-N 448.505 0.141 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1828925217 IFJJPCMAOSGNQI-ZWKOTPCHSA-N 442.520 0.197 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2c1 1830727819 GVTRNBZVWRVHJX-PXNSSMCTSA-N 436.896 0.312 50 20 ICGD O=C(c1cccc2c1OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728488 UJWCHOGPYPCTBC-QRWLVFNGSA-N 440.880 0.128 50 20 ICGD COc1c(C)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830733682 RATYFUNUGHZSDR-DYESRHJHSA-N 440.924 0.982 50 20 ICGD O=C(Cc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830966585 BVIRPQCMCVWMCP-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870976 JNRJFDBTUHJSPP-VQIMIIECSA-N 437.585 0.846 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171176 UNBVHECWHSXNMN-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)o1 1833901109 RBVSFGDPXCOMPV-BLLLJJGKSA-N 449.277 0.501 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835079280 RKORXMKUKODUAD-DOMZBBRYSA-N 425.954 0.773 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)CCBr)CC3)CC2)CN1 1837655161 UUVNUXKYDMXFPL-ZDUSSCGKSA-N 430.343 0.906 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921273 SVMFBMMYEJOSMQ-FOCLMDBBSA-N 430.310 0.529 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837958329 QGCLWSLPYGRFMP-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151868 GNPKDFZBFSRXFL-AFAVFJNCSA-N 439.340 0.126 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839202264 YSRYNSPBIOAAGS-CZUORRHYSA-N 449.277 0.189 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840031932 GYCZCFOQYMSVAL-RDTXWAMCSA-N 442.310 0.088 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840034415 KGVRLKVTCPWUAZ-CWSCBRNRSA-N 446.111 0.917 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnn3cccnc23)C1 1844028306 SPUZPVVOUWLYEU-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1 1847396155 MKMZPLNYZMTHRE-FHWLQOOXSA-N 439.472 0.243 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 26745501 OSQKBCFKUZYZIF-UHFFFAOYSA-N 444.469 0.665 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 726276337 QPFRJKJMJYCHMM-UHFFFAOYSA-N 429.458 0.162 50 20 ICGD CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1c(F)cccc1F 727365547 HPBKQGXSVSMRHY-MRXNPFEDSA-N 429.387 0.969 50 20 ICGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216323 WEQMSPSVVNHUMB-RDJZCZTQSA-N 426.539 0.650 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 740852649 GZYYGEDETKPJKZ-OAHLLOKOSA-N 440.522 0.210 50 20 ICGD O=C(NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1csc(N2CCOCC2)n1 742239770 DQTUSJFLWWPOTH-QGZVFWFLSA-N 449.508 0.953 50 20 ICGD COC(=O)c1c(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)[nH]c(C(C)=O)c1C 744521636 RAFXTBLTWQGDPR-UHFFFAOYSA-N 440.412 0.731 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1 746385441 DLKXTYMSXVBZCP-GDBMZVCRSA-N 434.562 0.815 50 20 ICGD Cn1ccnc(NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1=O 747943254 SFUVSJBTPREATN-UHFFFAOYSA-N 442.295 0.740 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 748519098 SPFLKMBRKRSBFV-UHFFFAOYSA-N 441.413 0.135 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 748696923 YFDXJFNFKVSNCJ-JTTJXQCZSA-N 435.477 0.312 50 20 ICGD CCNC(=O)C1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCC1 753744995 CJCKKRCRXHILJQ-UHFFFAOYSA-N 430.553 0.836 50 20 ICGD CCOC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 756930013 QWNOUUXBOOLDPL-UHFFFAOYSA-N 436.284 0.460 50 20 ICGD COc1ccc(CC(=O)NN=c2cc[nH]cc2Cl)cc1S(=O)(=O)N1CCOCC1 757422167 PGEPFJBAPSSRGM-UHFFFAOYSA-N 440.909 0.872 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)nc2)CC1 761789372 HDTGVHTZOLZYFI-BRWVUGGUSA-N 438.554 0.601 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccncc1 763463800 JPOWOEVJINSVDZ-UHFFFAOYSA-N 445.501 0.462 50 20 ICGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 763509948 XKDDBGZIVCRELI-UHFFFAOYSA-N 448.505 0.648 50 20 ICGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763548788 RKIMWEGGWBLHCB-UHFFFAOYSA-N 442.428 0.916 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763551324 MBRWCTFCZOVBIL-UHFFFAOYSA-N 429.385 0.757 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)o1 763587521 XSUOOMYMJROSHW-UHFFFAOYSA-N 441.488 0.993 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cccc1-n1cnnn1 763606437 ZYVSSRRBLNUYRV-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3nccn3c2)cc1 763739032 XRGAOYNUHPQLND-UHFFFAOYSA-N 444.473 0.049 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763864372 BZJDLLCANWAHFH-GFCCVEGCSA-N 432.408 0.964 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 764043874 YBYAKTZMGSYTKS-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cccc1C(N)=O 764058450 IGQZGYOKTRSODZ-UHFFFAOYSA-N 435.234 0.956 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC 764136029 LUVPCOWVMRACCL-UHFFFAOYSA-N 428.445 0.734 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C 764259411 GORMNFJNEXKKOG-UHFFFAOYSA-N 440.460 0.574 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccc([N+](=O)[O-])o3)CC2)cc1 764817395 PDFIHXQVPJZWSV-UHFFFAOYSA-N 435.462 0.953 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C3CCCCC3)cc2)n(C)c1=O 765730783 OAJBFHIKYGODFD-UHFFFAOYSA-N 438.488 0.943 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCCN1c1ncccn1 766650215 IYBISQONSMBJLX-SFHVURJKSA-N 437.504 0.051 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1cc(Br)ccc1=O 767282829 XPPAPSJETUBCGQ-UHFFFAOYSA-N 436.262 0.853 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(-c2nc[nH]n2)c1 767742421 SLLACHCAUBKZSD-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)(N2CCOCC2)C1 767895098 CUHPOSQRJHEIRV-GFBDMGBSSA-N 434.493 0.427 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)cc1 770397704 WYLWSKBBPMHKQX-CQSZACIVSA-N 426.437 0.505 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)CNC(=O)c1cccs1 770509823 RGAKAPUCAQSVTM-JTQLQIEISA-N 439.881 0.960 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 770648505 ROENXKSUHZRCOI-LBPRGKRZSA-N 441.897 0.811 50 20 ICGD Cc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1O 772906700 OJBVVEADFUEZIX-UHFFFAOYSA-N 433.486 0.725 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773498723 CRZAEWXRUOIKAA-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD Cn1cnc(-c2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)n1 780280706 ZNTODYCYMAKANG-KRWDZBQOSA-N 437.412 0.626 50 20 ICGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 782249976 PZGCXFLRRSZEIE-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 783685471 BNNJXYCJMIFBAM-UHFFFAOYSA-N 449.533 0.332 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C1 783997806 ZORZOZJQTVKJIN-GJZGRUSLSA-N 443.504 0.513 50 20 ICGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2C)c1 784004153 JGNJQIMOIXBCSP-UHFFFAOYSA-N 438.444 0.906 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 786416095 ANAAVZVTTHMTFT-UHFFFAOYSA-N 439.432 0.695 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccccn4n3)cc2)CC1 791245651 ZFEMXQYKKJAQQE-UHFFFAOYSA-N 443.489 0.339 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2(S(C)(=O)=O)CCC2)nc1 793281608 RGOQMQFJCFZYBC-UHFFFAOYSA-N 433.556 0.706 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2cccc(C)n2)cc1S(=O)(=O)N1CCOCC1 794090401 RYRSACPQFLITPT-UHFFFAOYSA-N 448.501 0.423 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c(OC)cc1Cl 802081780 BKIGKBZCDAGLBP-ZDUSSCGKSA-N 441.872 0.637 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)ccc1F 806973974 ZFVJFERSNMEROF-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 806976746 LIWLCNWZWNBOCM-UWVGGRQHSA-N 437.396 0.537 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)Cc1cc[nH]n1 810356263 IUPLRPOWCMBHFH-UHFFFAOYSA-N 439.803 0.750 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812727797 WHPQQLBUVJIDCC-UHFFFAOYSA-N 426.520 0.910 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc(OC)c1OC 813490939 OQIRLAFJXRILNZ-UHFFFAOYSA-N 444.491 0.566 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NC3CCC3)CC2)cc1 814200114 KVUCWMJDSJXMFW-UHFFFAOYSA-N 425.580 0.349 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc2c(cc1Br)CCC2 815691168 HKKBAAVBCJAMBP-GFCCVEGCSA-N 447.293 0.878 50 20 ICGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815692870 DSLHWCFJIJGFHP-AZWQULSGSA-N 426.433 0.203 50 20 ICGD CN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2C1=O 825169601 DITJIRSOSKNWHH-INIZCTEOSA-N 439.380 0.057 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)c2ccccc2c1=O 916123117 GHUHWHYVJSXURW-UHFFFAOYSA-N 433.446 0.348 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 916254224 PGKIEEHXZIBTMI-QGZVFWFLSA-N 430.509 0.717 50 20 ICGD CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 917981498 IUMJWKZOGGFUFC-PBHICJAKSA-N 433.461 0.556 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 918018792 ATKGTWOMDWZDSP-UHFFFAOYSA-N 438.444 0.847 50 20 ICGD Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 919887281 ZFQKBWWCRIXCKI-GDBMZVCRSA-N 437.522 0.756 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 1115889178 KDOGYTYUTSMNIA-KRWDZBQOSA-N 436.534 0.375 50 20 ICGD CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1256330695 BFRBWAUNLMARCA-AWEZNQCLSA-N 425.511 0.139 50 20 ICGD Cn1c(CC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc2ccccc21 1317778629 JSAXMBPAJIHUDQ-UHFFFAOYSA-N 434.464 0.013 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1777995029 WVIVWZCGYQMRDG-MGPUTAFESA-N 434.880 0.046 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778542718 GYPOBAAGFOEXQM-NRFANRHFSA-N 446.483 0.290 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780168660 KTNHGLNCCVWVAB-QHCPKHFHSA-N 449.272 0.004 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@](C)(Cl)CCl)CCO4)CC2)CC1 1781107815 AZCKEBORCPMXFF-RBUKOAKNSA-N 447.407 0.833 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783533768 HPBFVIHOYJWEQQ-WHCBVINPSA-N 449.298 0.095 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784290731 WNUYPQRFBSMHCW-HTAPYJJXSA-N 431.537 0.463 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1F 1785297060 VHTRREUYSCXOKN-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926833 GZOSENUKEJEYGT-ZPFDUUQYSA-N 429.308 0.091 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1791064739 HBXWDLWLCIVLOM-XUXIUFHCSA-N 427.299 0.619 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccc1C 1791290681 KKBQUUDXJLMZRI-BJLQDIEVSA-N 446.548 0.970 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426329 TVDIJNMQMZFXEH-BBIADKPPSA-N 441.532 0.453 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1Cl)C2)c1cccc(B(O)O)c1 1795739763 KSGAQCGVWJSYQR-HBCWATKFSA-N 446.671 0.676 50 20 ICGD CC(C)Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(C)n1 1796017947 FLPFUVZUBOFORY-VPTLXERWSA-N 448.568 0.195 50 20 ICGD CN1CCc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)ccc21 1796188932 CBRXBJCJWANHMD-WKCHPHFGSA-N 433.317 0.924 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191223 NAJIRUZWDBVWSD-REPLKXPHSA-N 436.273 0.590 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2cc(C)ccn2c1=O 1797068377 TZWCCQSCPJXGMZ-CXHZTBPHSA-N 448.907 0.460 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)ncc1[N+](=O)[O-] 1797074121 RRMCSRFAYDOGMU-QDMKHBRRSA-N 432.481 0.923 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797666640 IWBWWDWHEQUROI-LAVAIGHBSA-N 437.305 0.070 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800196381 VWROYSAILUTBRP-JWVYWZTKSA-N 431.537 0.223 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1800979473 JSSGQVKTCWLHCS-WJNVRWDZSA-N 425.848 0.325 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnc(F)c1 1803840007 IWLXCINQNAIQHX-NQIIRXRSSA-N 448.263 0.929 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1812323778 JFGSQDXBSJSCKU-QOKNQOGYSA-N 433.896 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1812419210 WLZSTPCXRVDEEO-KKSFZXQISA-N 427.509 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncn2C)[C@H]1c1cccnc1 1813071306 RTMWPOMFWVUNJE-UZLBHIALSA-N 427.509 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1813072276 DIKXBVSAEHQIBQ-YWZLYKJASA-N 444.492 0.255 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344200 NURGHLJZJGBOBM-AWEZNQCLSA-N 447.398 0.900 50 20 ICGD O=C(CN1CCCCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354909 XEQDHGOPXWBONN-INIZCTEOSA-N 442.350 0.535 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1816781025 CETKGBUUPLERRN-LLVKDONJSA-N 441.286 0.739 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCBr)n[nH]1 1816781553 CPPQAJJJLANNLN-CMPLNLGQSA-N 429.319 0.780 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819513522 VCPRELFZLRKSAW-CQDKDKBSSA-N 449.899 0.610 50 20 ICGD N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)CC1 1819795559 OJGMXDNYULPCLF-JTQLQIEISA-N 425.474 0.671 50 20 ICGD CC(C)O[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820005464 TZIDXVQIBSKZEY-IUODEOHRSA-N 431.323 0.862 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825936349 VTEAGNCEOOWVPA-PWSUYJOCSA-N 444.517 0.983 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1827060233 CLVOGBFNIFYSIT-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD CCSc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720208 VBLSYNJOTSWMDM-KXBFYZLASA-N 443.953 0.863 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c[nH]1 1830724499 HYRIBDLPLPVDTA-MGPUTAFESA-N 427.929 0.982 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831387005 CTWVYVXQMLLJOP-RKVPGOIHSA-N 431.327 0.512 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832715808 BQGGPRMQMBHAJK-KDOFPFPSSA-N 432.304 0.334 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833271091 WQPPYKHVRAKZLI-KDOFPFPSSA-N 442.310 0.421 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710504 KYGGKRYFIYGRPF-INIZCTEOSA-N 441.960 0.517 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cn2cccnc2n1 1835545188 BTRZOPOOZYOOPH-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNc3ccc(F)cc3)CCO2)C1 1835584482 DXLQMKSIFMGABC-PXNSSMCTSA-N 443.903 0.948 50 20 ICGD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC=CCC1 1835933832 GYJVRILXHPUHGH-DHIUTWEWSA-N 442.321 0.183 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836667993 JLIMTQPVVYJCRQ-FXAWDEMLSA-N 430.977 0.098 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339954 DSNROLIHHBXZDO-GUYCJALGSA-N 428.283 0.173 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c(O)n1 1838669267 QUKLBMOPWZHIIK-SFHVURJKSA-N 442.310 0.951 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767351 CVGJQDIJPBIGJT-MEBBXXQBSA-N 439.822 0.911 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839242808 LETGSUMKPDHRMY-KZULUSFZSA-N 443.342 0.809 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988212 BYWMHBBAONSPGQ-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049940 TYQLXOMLXMJYHU-WWNBULGVSA-N 426.586 0.862 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)(C)C 1840186462 IMUYXFSPKMXSFA-FZKQIMNGSA-N 438.352 0.797 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nn1 1840188937 MKGATKGICZGIBJ-KRWDZBQOSA-N 433.292 0.749 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC3)CCO2)C1 1840634644 ZNIIJVYRFSKCOB-MGPUTAFESA-N 445.944 0.985 50 20 ICGD COc1cc(C)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1OC 1845453069 RIEVCPBKLYSGBA-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cnc2sccc2c1=O 12699606 KYLRQGSAOONYCL-UHFFFAOYSA-N 434.503 0.521 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)cc1 29514140 ZCQRUZSAGOAJLW-LBPRGKRZSA-N 428.449 0.603 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 726075452 GHYDYYNTFHVCAQ-UHFFFAOYSA-N 445.567 0.140 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1 727438667 GJQOKZYEOWQWTN-INIZCTEOSA-N 438.912 0.823 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 728018623 QAHQPYSWRRTHTL-HNNXBMFYSA-N 442.563 0.790 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOC2=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728328214 QZKQCIDIPCAJCG-KRWDZBQOSA-N 441.396 0.787 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(F)cc1 728846421 XYSNQRCLFPNRJC-CYBMUJFWSA-N 435.481 0.842 50 20 ICGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854349 SKGVTXMTTUCLRY-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H](C)O1 732262619 UZDNISKVMASBEO-VXGBXAGGSA-N 445.314 0.761 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 738497615 ZCRJSDPHYFGXCE-UHFFFAOYSA-N 432.502 0.951 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2c1=O 742034724 UIMJOFVUEJVHGX-LJQANCHMSA-N 439.447 0.907 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 743829591 WZRAQINRTFCIHO-UHFFFAOYSA-N 432.524 0.305 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 744500849 AHBMZEZMWFOKNC-UHFFFAOYSA-N 431.408 0.832 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)C[C@@H](C)O1 747324777 OFZNTHICQSNIKR-HUUCEWRRSA-N 432.502 0.883 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNc2cc(Cl)nc(N)n2)cc1 753452202 OQYZPKAJBCAMCY-LJLILKBBSA-N 429.868 0.959 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(C(N)=O)nc2)c1 753938922 DXTFHXPZFFSECU-UHFFFAOYSA-N 448.505 0.355 50 20 ICGD Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756081935 ROCHGJOQJOQTFR-WCQYABFASA-N 443.323 0.864 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 756208334 ZWOCYSJDVZLEFY-ZDUSSCGKSA-N 425.511 0.332 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cnn(CC2CC2)c1 756814171 ZQBJBWGGUZWURF-UHFFFAOYSA-N 448.505 0.781 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 756893401 OZRSAPHDVLCTQI-NRFANRHFSA-N 434.493 0.846 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1-c1ccc(F)cc1 758041208 XFYJPTPJXUPQPN-VIFPVBQESA-N 430.483 0.109 50 20 ICGD COC(=O)C12CCC(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)(CC1)C2 759259064 JNYIPPHKNSIZNF-VUZGARFFSA-N 432.429 0.641 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2F)n1 760279209 JYYCDXOKVPJWKL-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCc3c(Cl)cccc32)c2ccccc2c1=O 763785096 DLSBUVGUELAPAI-UHFFFAOYSA-N 425.832 0.937 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)n1 763886896 ZNXALIKWPXBWCJ-UHFFFAOYSA-N 429.481 0.176 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1cccc(OC)c1O 764130971 LRGJFILMUHFCRV-UHFFFAOYSA-N 428.401 0.697 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275769 UGGUVXPIPRISCC-UHFFFAOYSA-N 432.458 0.525 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 764279772 FLXRLDVTWJZNNP-UHFFFAOYSA-N 447.245 0.840 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 764317904 STYLDGVMUFTTJZ-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 764366660 DJBRDWZOYWNBEP-UHFFFAOYSA-N 441.412 0.986 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766562488 DTRWSSIOSUCZDM-GFCCVEGCSA-N 433.827 0.804 50 20 ICGD CCCc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n[nH]1 766636120 JTOJAQWIDIBRTH-UHFFFAOYSA-N 448.549 0.438 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ncnc3ccsc23)c1 768291609 SOKLXYABFQDJPI-UHFFFAOYSA-N 434.503 0.815 50 20 ICGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770371994 OTEXCAROGHSHLO-AWEZNQCLSA-N 447.544 0.856 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)sc1Cl)[C@H]1CCS(=O)(=O)C1 771150027 QXQXVSMNAYBLQH-YFKPBYRVSA-N 437.746 0.908 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 772973545 QDQAITRFPXERKW-GFCCVEGCSA-N 426.359 0.160 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc(Br)s1 772975064 QZXBOAFCQRJWGU-UHFFFAOYSA-N 448.324 0.828 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c1 773070069 MCIMVKJBJCMIOG-UHFFFAOYSA-N 435.462 0.801 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c(C)c2)CC1 783425390 HVUDYKKVYCXVIJ-FQEVSTJZSA-N 437.566 0.273 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 783803611 BFCHVRCNPGGIJE-CQSZACIVSA-N 437.386 0.531 50 20 ICGD O=C(NNc1ccnc(F)c1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784851908 MNAALTHKWYLIMZ-MRXNPFEDSA-N 429.408 0.317 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 787950241 SJRPNPBRQCVCMP-CQSZACIVSA-N 447.517 0.641 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cnc1C 793350840 QTTYWXICWCNIMR-UHFFFAOYSA-N 441.491 0.093 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1 798316021 SNUWJXRDJHEOPN-SNVBAGLBSA-N 426.421 0.320 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2n1 799009468 ZGXSEYKXJDTFSQ-KBPBESRZSA-N 430.486 0.340 50 20 ICGD NS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 799927232 UZHOYCQSDIBVJB-UHFFFAOYSA-N 428.474 0.805 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 800629397 SLBGIWAROBGYHX-UHFFFAOYSA-N 446.313 0.876 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 801107036 KXOZVNNIWYAXJJ-OAHLLOKOSA-N 447.492 0.597 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NNC(=O)c2ccccc2OC)CC1 805097154 LDFGWGVJZYDUFE-UHFFFAOYSA-N 427.479 0.492 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1 806489795 DRHMQUNEUXZHMW-UHFFFAOYSA-N 431.478 0.124 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1ncccn1 812445704 XIYZKHRZOYEMPF-UHFFFAOYSA-N 447.517 0.210 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)C1 816510511 XVGJBMLOJHITRJ-ZDUSSCGKSA-N 430.465 0.586 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052754 OEZJPZSQPNNHKP-HNNXBMFYSA-N 432.568 0.974 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C#N)n1C 913287232 XYUVGDALWUGXJB-AUWJEWJLSA-N 427.442 0.941 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(N)(=O)=O 915595271 CIEHMPNISWBBTB-UHFFFAOYSA-N 439.465 0.867 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccc(Br)cc2)CC1 916433476 WNMLAZRSRLELOP-UHFFFAOYSA-N 442.314 0.322 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884458 JCIASSBYSPBTFH-BCFZYGEVSA-N 441.554 0.162 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2=O)cn1 1320462121 CMJMLYAWUXTASK-UHFFFAOYSA-N 444.492 0.979 50 20 ICGD COC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091777 QJYQRXJYWMLFLX-VMTKKPBESA-N 447.536 0.917 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257763 NOXVECFIZQCZJH-MAUKXSAKSA-N 431.375 0.095 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844876 KRZLOBBFKOLYDW-BDJLRTHQSA-N 429.319 0.180 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032871 ZEKVCLUAMVAIPP-OAQYLSRUSA-N 442.451 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1779393904 VWGLTMBEWTUPJS-XAOCGEIJSA-N 441.492 0.604 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(O)cc2)C1 1780439710 SNSFAGVJCMJIFC-XMSQKQJNSA-N 432.521 0.893 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1781230643 XQHSGSURAYAKFW-SJORKVTESA-N 427.292 0.804 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)ncn1 1781325865 JMMXRXBLFPIPLG-ABAIWWIYSA-N 431.218 0.309 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1 1782445817 JTQSIKQHCKDKNX-NJNPRVFISA-N 433.553 0.936 50 20 ICGD Cc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785913567 KJCNJITWXHHSDN-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]32)CC1 1786730675 OIESSWNPXUAMDB-OGNFBWPZSA-N 449.423 0.840 50 20 ICGD O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787016524 RMRRWZXILNNVSC-QCQGSNGOSA-N 430.274 0.519 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3oncc3C)C[C@@H]21 1787508753 RDHYDNYOCRRIAU-RPIBGLMYSA-N 442.476 0.710 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788147892 NAECKXOEPABXPG-HNNXBMFYSA-N 435.289 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21 1791289035 CZRNILMFAHAMQL-LNLFQRSKSA-N 434.512 0.721 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)CCl)C[C@@H]32)c(=O)nc1O 1792130674 WITSPBPLJDEVRW-KKUMJFAQSA-N 440.928 0.502 50 20 ICGD CNc1nsnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792559875 OSVIORWKAYNQNL-JGPRNRPPSA-N 430.494 0.144 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2)[C@H](O)CCl 1792981750 RZLJJEVXCDBJAT-LORHWOILSA-N 435.908 0.222 50 20 ICGD N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)c1cccnc1 1795112596 LRPHVJYLEOUUTN-BASYENTBSA-N 425.327 0.846 50 20 ICGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)CC1 1795445995 KATXKOMRTFAZKN-XEMDLRDOSA-N 426.634 0.065 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]c1C 1796651625 GMPODGIYMYLQPU-FJABVQHVSA-N 426.477 0.660 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncncc2c1 1797468815 LGMSYSNKVXPAQU-UPHUGPLXSA-N 440.504 0.206 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797752763 FLYRNFIVWQPCSH-CCWDJLKJSA-N 439.472 0.211 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1 1798041467 PLXWJHXKOCWUGQ-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363571 AHUCPKZBFPUZRA-NYSBEXSLSA-N 437.305 0.696 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807363993 RMUDMYRWUFXUFZ-UWJYYQICSA-N 449.276 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364123 RZKIYLJOMXGTIG-SIKLNZKXSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@H]2F)[C@@H]1c1cccnc1 1807829885 UCTPSMFEZQICMQ-SIUPPRGNSA-N 426.452 0.758 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccnn2)[C@H]1c1cccnc1 1810729764 XGNXRRXIJNTQTG-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072291 ABJSWXNHIXBROC-IGVAALFASA-N 444.536 0.500 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074109 PHOFPKWRMDKGIO-JTDSTZFVSA-N 439.944 0.714 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cncn1 1813403777 QYKFEPMQBWPORO-OXFYSEKESA-N 442.524 0.313 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814900518 GKBHJPJHAYCIKX-GFCCVEGCSA-N 441.278 0.241 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1CCOCC1 1817010232 WNOPSXWRSYTRQL-SFHVURJKSA-N 426.282 0.822 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818121737 KDELNYXWFLRZFJ-UGSOOPFHSA-N 441.297 0.262 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412600 SBLLBZVGNLYBJJ-GDBMZVCRSA-N 435.529 0.690 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cccc(B(O)O)c1 1826099151 RWGZBVKYOVRJRS-SNVBAGLBSA-N 428.106 0.852 50 20 ICGD CC(C)N(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060357 YPAMJNOUECIBOJ-NRFANRHFSA-N 429.370 0.940 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829534339 XYRCEJNDPZESFO-UGSOOPFHSA-N 433.839 0.684 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1830544078 MXKMASMDGONWQB-HBUWYVDXSA-N 446.342 0.000 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733066 DCECOOIOFZSQQP-QFBILLFUSA-N 425.844 0.367 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738261 NFSXPKCNUSWJCV-XLIONFOSSA-N 436.896 0.092 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831652329 ZCOPYZLGWXUBPM-PXAZEXFGSA-N 429.861 0.795 50 20 ICGD CN(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nc1 1833308628 YSPQFQPFIGOMAO-IBGZPJMESA-N 437.972 0.933 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833739825 NXHWRNRZFPOEPZ-DIFFPNOSSA-N 447.305 0.965 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1833815648 QHTGOJBKRPCTIZ-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826377 NAUDLFYEWZTBOK-CZUORRHYSA-N 439.372 0.342 50 20 ICGD NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccccc1 1835823328 RBCQLTBRUPYIEX-BEFAXECRSA-N 430.332 0.989 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n1 1836065769 ATVAITQXLGQLHI-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717687 GYAFXYHZDCHQTB-SFHVURJKSA-N 449.939 0.870 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C3CCOCC3)CC2)CC1 1837752534 XLCQHFKRCUOCKQ-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839142476 QBHGUIUUTTVFIQ-KUHUBIRLSA-N 443.953 0.952 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840031185 IDDXOMXZOZSQTH-PXAZEXFGSA-N 429.267 0.702 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840150753 RBAKHEAGIFOYDO-OXQOHEQNSA-N 443.903 0.864 50 20 ICGD CNCCCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842917543 PRQGWVQUEHKDSE-UHFFFAOYSA-N 430.553 0.536 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844264462 VLIINMABRXSFIQ-HPMPDSITSA-N 430.465 0.031 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1846175514 DCLCXRPTXAWVBX-MNOVXSKESA-N 439.310 0.980 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)C1 1847554201 XDOAAYPMPMIVOI-OQUILHJVSA-N 429.477 0.090 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847559529 SERKYWBIYBZADJ-XQLPTFJDSA-N 431.917 0.424 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 725890309 YOFBLNWTQUITIP-UHFFFAOYSA-N 431.514 0.929 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCO[C@H](C)C2)c2ccccc2c1=O 726253953 FDFMGNXIONOBNC-OAHLLOKOSA-N 430.509 0.861 50 20 ICGD NS(=O)(=O)c1ccc(NCCC(=O)NNC(=S)NCC2CCC2)c([N+](=O)[O-])c1 727865987 JROPASYKZZEZRS-UHFFFAOYSA-N 430.512 0.340 50 20 ICGD CC(C)CN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728215359 YFHUNAHUBXONDE-INIZCTEOSA-N 437.566 0.570 50 20 ICGD CC(C)C(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728333408 XQBXIZBYQNPCND-WMLDXEAASA-N 433.461 0.554 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(F)F)cc1 731185958 JXGZASSWQAAIIW-SNVBAGLBSA-N 444.420 0.308 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734239869 YCAMTVQSEAPVRD-UHFFFAOYSA-N 443.526 0.519 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 747407417 XIBIPOHXKVALBF-SECBINFHSA-N 431.414 0.307 50 20 ICGD Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)C(=O)N1CCCC1 748247006 HYWIONIWFFCJMU-UHFFFAOYSA-N 427.387 0.462 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206942 OMWUZJFAPJMJKA-ODXCJYRJSA-N 433.465 0.294 50 20 ICGD CNC(=O)c1cccc(CCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 751888200 OCUUQGIZPYUTRR-UHFFFAOYSA-N 428.401 0.891 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCOC2CCOCC2)CC1 753341571 XCNWJQCYIAYRDW-UHFFFAOYSA-N 427.527 0.047 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(S(N)(=O)=O)c1C 753892484 XAQDYWXMXWFZPY-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccc(Br)cc2)cn1)N[C@@H]1CCS(=O)(=O)C1 755644714 IMVOYXIHIJBZEF-LLVKDONJSA-N 442.295 0.766 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756094376 KKXSKUNDHDGLAC-LSOMNZGLSA-N 442.472 0.602 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1OC 756836916 ZAVUOFNAJXIXLA-UHFFFAOYSA-N 432.437 0.226 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)nn1 757400707 BJMFBBDCZBSACH-UHFFFAOYSA-N 437.441 0.893 50 20 ICGD COCCOc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 757758272 AGIMJVRUZOHSDH-UHFFFAOYSA-N 435.502 0.966 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 762362848 ZDOVZPZSIIHQPC-CQSZACIVSA-N 440.522 0.467 50 20 ICGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 762381073 BXRUVWQCQKELNR-OAHLLOKOSA-N 437.522 0.426 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CC 763441602 MTGSHBXZIJNCLD-UHFFFAOYSA-N 426.495 0.756 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 764110514 KUMIDMPGJPGCSZ-UHFFFAOYSA-N 439.432 0.695 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 764139254 QFGYKQGFGCOOHB-UHFFFAOYSA-N 433.428 0.785 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 764152623 TXPVXGRTHQIYLJ-QZTJIDSGSA-N 438.440 0.894 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CCc2ccccc2)c1 764202176 NJRDIOZJRUVDKJ-UHFFFAOYSA-N 436.465 0.795 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccccc1S(C)(=O)=O 764204536 XWVROUBNXXXDRJ-UHFFFAOYSA-N 442.494 0.481 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)c1C 764257700 MAYVXTDIJDSGGV-UHFFFAOYSA-N 441.469 0.899 50 20 ICGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766651244 LWXVJJMHPFNHFA-LJQANCHMSA-N 443.548 0.631 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)ccc1OC 768634355 JCUQZZXOXPFXEY-UHFFFAOYSA-N 443.503 0.772 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 770543425 OXJITJCXEPFTCP-UHFFFAOYSA-N 440.522 0.957 50 20 ICGD CN(CCNC(=O)NNC(=O)COCc1ccccc1)S(=O)(=O)c1cccs1 771985390 JDUAXRJFYRKECA-UHFFFAOYSA-N 426.520 0.916 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 772187139 RXZMYOKGNYOWCO-SWLSCSKDSA-N 431.449 0.025 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 775589874 WPNQIERRKJKPOH-QGZVFWFLSA-N 448.453 0.375 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cc1C(=O)NCC(F)(F)F 775673029 VYIZNFLJGYSHRN-UHFFFAOYSA-N 429.380 0.812 50 20 ICGD CN(NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776214294 UMPFRINHPNVVJY-UHFFFAOYSA-N 435.481 0.758 50 20 ICGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 778613336 ISRVDWFSKANUTH-UHFFFAOYSA-N 434.541 0.789 50 20 ICGD O=C(NNc1cccc2c1CCCC2)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 783451788 UTMUSQGKVGCRSO-UHFFFAOYSA-N 426.477 0.703 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(-n2cnnn2)cc1 783807071 RPAMNIVUSSFHMG-UHFFFAOYSA-N 434.306 0.981 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 784003235 CGGJDCJTNISPNE-UHFFFAOYSA-N 431.430 0.221 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC 784916706 SXANSZWFVDORAY-UHFFFAOYSA-N 443.526 0.747 50 20 ICGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 787125128 DQRPDJJGGLGFCY-IAGOWNOFSA-N 435.956 0.897 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 787554792 HYLZRCILMJPNKM-UHFFFAOYSA-N 444.473 0.102 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nc1 787557457 OFLFPVVLXNIJQN-UHFFFAOYSA-N 449.489 0.965 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3ccccc3S(N)(=O)=O)C2=O)cc1 788223583 KOLCAUOCSJQBAS-LJQANCHMSA-N 431.474 0.553 50 20 ICGD O=C(COC(=O)CN1CCc2ccccc2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 789279011 RXUYPNOSGDSVRU-UHFFFAOYSA-N 426.385 0.598 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)cc1 797371576 ZYNHKHPXFZZMIP-UHFFFAOYSA-N 431.474 0.596 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c1 799834396 CZAWVILLWYSSNF-UHFFFAOYSA-N 436.494 0.505 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800053616 INDOMZFUDZDSPX-STQMWFEESA-N 435.547 0.340 50 20 ICGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802762547 IPCFSIQFLCVUCY-QGZVFWFLSA-N 438.484 0.872 50 20 ICGD COC(=O)c1cn(CCNC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 807250836 NHADIICVNWWCJK-UHFFFAOYSA-N 436.372 0.685 50 20 ICGD COc1cccc2c(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)n[nH]c12 809724457 KUVULPGAEQMVRR-UHFFFAOYSA-N 436.472 0.791 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1c(F)cc(Br)cc1F 815692120 JQEABZJJCLBNIC-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 815693166 NYCSVQDRFOQEJT-GFCCVEGCSA-N 447.446 0.895 50 20 ICGD O=C(COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1)Nc1ccccc1 815778069 AFNCCUVPCIXBCP-QGZVFWFLSA-N 426.429 0.969 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc2Cl)C[C@@H](C)O1 864234784 VZDTZSOVBAIJBN-BZPMIXESSA-N 430.719 0.827 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1 912920796 CYJLSUFUTSQYRJ-PHIMTYICSA-N 431.287 0.419 50 20 ICGD CN(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1CCS(=O)(=O)C1 913125883 BFYNYZLYMJLTCV-AAEUAGOBSA-N 428.442 0.579 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(C#N)n1C 914505198 SGNIEWWSNLVAQQ-AUWJEWJLSA-N 425.474 0.866 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1[C@]1(C)NC(=O)NC1=O 917717859 RAJUBRXYSXYUJS-SFHVURJKSA-N 434.430 0.079 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc(F)c(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 917994179 MZBYLANIMLYHPP-MRXNPFEDSA-N 449.366 0.225 50 20 ICGD Cn1ccnc1[C@H](O)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1253312083 JEYFAJFZZGMMMK-QGZVFWFLSA-N 442.524 0.613 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1318891864 RDCZTCUKJNQHKI-UHFFFAOYSA-N 437.909 0.921 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1320412243 AFKXPDRMRFBHER-LBPRGKRZSA-N 427.255 0.756 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522196 SVVAKDLDPNFZBF-GTNSWQLSSA-N 441.282 0.649 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1780096919 MLMGEQVUCWNJDS-XCLFUZPHSA-N 434.449 0.558 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781022679 BIVSUTATNUEQIB-LIRRHRJNSA-N 433.933 0.983 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1781334115 MITKKERCMGISJG-JJRVBVJISA-N 435.338 0.143 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1784619188 YKKRJUBNDRNSIL-XPCVCDNBSA-N 436.900 0.418 50 20 ICGD COc1cccnc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785241314 UWCUEWFPHQDIOL-KMCQBPLKSA-N 425.913 0.602 50 20 ICGD O=C(Cc1cccc(F)c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786522416 VBGRVQRQRXLPHX-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)nn1C 1789921657 UPCISUZLUXFSKS-ATVPRXPUSA-N 431.306 0.941 50 20 ICGD O=C(CN1CCc2sccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793895919 VOTIRCOUIUZPRE-BASYENTBSA-N 427.954 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12 1796727815 AMYOTTJKMLGRMU-BTTYYORXSA-N 429.481 0.060 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccccn1 1797754264 PBMJDZRTGDOMAJ-BKEDOTJMSA-N 438.488 0.087 50 20 ICGD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cc1C 1798439307 VSJROIBQKSRFNF-MUJYYYPQSA-N 438.488 0.963 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3cncc13)C2 1798440077 ABUQXYFHVGHLEO-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349819 LLGTUQQAUIQNHJ-ZCURGHERSA-N 430.278 0.557 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ccsc2[nH]1 1799939165 QIIOVGYYEKEPNY-JLVBRIDZSA-N 439.302 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2c1 1801041201 KXFYRNGFORADIL-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C1(O)CCC1 1804834007 HDPSTYMATNNSLU-KRWDZBQOSA-N 428.338 0.762 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccns2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360566 CICGEVYVUBKFTI-APWZRJJASA-N 436.302 0.851 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1807360998 DLWBNSOGVKJCJZ-GCJKJVERSA-N 448.288 0.620 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813070111 GIYQNXGSGUBHMI-UWJYYQICSA-N 439.520 0.873 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073423 MJUHDTWNRDTBKH-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335630 IGYXZYZFEFIIGO-XJKSGUPXSA-N 431.323 0.456 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344001 BBMKJRLDBHXEID-YOEHRIQHSA-N 443.334 0.622 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCCN1 1817472383 GMPFXCHVKARIKU-LAUBAEHRSA-N 425.298 0.538 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cnn2c1CCC2 1821450786 GMKIIRFHIBAKFD-LJQANCHMSA-N 448.292 0.852 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ncccn1)CC2 1826080311 AQYBLIWCZRLPHU-LBPRGKRZSA-N 431.522 0.461 50 20 ICGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364489 MIFRNSQXPNDIPH-SFHVURJKSA-N 434.990 0.192 50 20 ICGD CO[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccc1 1830726112 UWKZBQJVFLALHP-QKLQHJQFSA-N 426.897 0.430 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830787759 XSKYEKFPSXBLGN-CJUZGDCTSA-N 443.504 0.543 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCc2ncc[nH]2)CC1 1832070031 BOQVESGHXVKUON-HXUWFJFHSA-N 438.337 0.956 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833767969 IQSOMMATHZQDES-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835079268 RCOWNVGKVNZSML-SWLSCSKDSA-N 440.969 0.420 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944366 KHSNHJCREMPHIR-FOIQADDNSA-N 436.896 0.887 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837549519 YFXCDUYHSDAPTG-AUUYWEPGSA-N 442.900 0.187 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837708369 DRMCLCULFKXQQK-FQEVSTJZSA-N 427.618 0.636 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n[nH]1 1837711911 ACQKWCVNSVDKBG-IBGZPJMESA-N 438.557 0.534 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311166 OQBLDNOPUBRAJO-SUMWQHHRSA-N 435.308 0.397 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838381785 MEPVZTHAURCFDA-NSHDSACASA-N 429.315 0.644 50 20 ICGD O=C(Cn1nccn1)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1838648832 LPFHYSBQAXMIEX-OAHLLOKOSA-N 432.294 0.967 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839147136 HQAIXGWJUXEBHH-FXAWDEMLSA-N 442.988 0.240 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839964486 SRQDTYPFUBIBOP-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840149375 NOCYAQRIOVLVOS-KBXCAEBGSA-N 429.926 0.694 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840149848 BYFZKRRQGCBYOY-GJYPPUQNSA-N 428.917 0.229 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840156137 OHLQYJLAMOYJIE-LIRRHRJNSA-N 449.932 0.221 50 20 ICGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1ccco1 1840188158 RIWTXQAFDIWLFG-QGZVFWFLSA-N 434.276 0.270 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840275971 SECWOPJABKUCAS-HKLFFYFNSA-N 433.343 0.777 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1841924406 IEZOMGXOSKHQOZ-ZDUSSCGKSA-N 442.948 0.162 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010337 FMTMBUYJIBMWDT-ZWKOTPCHSA-N 442.321 0.553 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C1(c3ccc(O)cc3)CC1)C2 1844263285 MXXFPLYHHAMSIG-UHFFFAOYSA-N 435.484 0.940 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)c1 725878687 NRAOTVQLJXBNHP-OAHLLOKOSA-N 425.555 0.114 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 727608733 WHAIVFFSUXSDNH-GFCCVEGCSA-N 444.477 0.276 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 728511410 MYFIWHZRVLULNK-IBGZPJMESA-N 425.489 0.982 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)n1 731745580 JUTCPIBEFVGQLJ-UHFFFAOYSA-N 445.432 0.683 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 732084254 UOGBWHLPZISVDO-HXUWFJFHSA-N 446.467 0.993 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c2ccccc2c1=O 732892516 CZLNZUVGDFWWIZ-HNNXBMFYSA-N 438.419 0.822 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)NC2CCCC2)o1 744053097 ASEUEVMRNQANGQ-CYBMUJFWSA-N 442.494 0.882 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 744384308 AZOMJAJUYVBSBV-UHFFFAOYSA-N 435.484 0.908 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 745110201 TVJUPQVFKSQTLU-AWEZNQCLSA-N 444.469 0.204 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccs2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 745560658 GLQWBOJELJOJPT-INIZCTEOSA-N 443.441 0.532 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)Cc1cn2ccccc2n1 746640793 JBJDXMSPVOJKGD-UHFFFAOYSA-N 427.895 0.718 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 748837363 DPGCFFGSQXUVLH-CQSZACIVSA-N 446.489 0.008 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cccc1S(N)(=O)=O 754329617 OTPFDSWZJYVWNP-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cc(C)[nH]n1 755408402 JOLYJGBSVVVELM-UHFFFAOYSA-N 438.466 0.214 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756098084 SOUIKNHSQXSUGI-LNMJFAINSA-N 426.473 0.765 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)c2ccccc2c1=O 756796241 HGUHJMWVUBDNJQ-QHCPKHFHSA-N 449.467 0.584 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNc3ccc(C(N)=O)nn3)CC2=O)cc(OC)c1OC 757402120 HCGRJTHZBIIJTE-JTQLQIEISA-N 430.421 0.098 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 757629393 OWDAOKARTONFNX-UHFFFAOYSA-N 445.461 0.411 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 758044467 MFHVNAIPDPOTGI-QMMMGPOBSA-N 437.375 0.729 50 20 ICGD COC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)nc1 759739984 VIUWWJKTHFEXSY-UHFFFAOYSA-N 438.462 0.697 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNc2nccc(N3CCOCC3)n2)c1 762880305 XTMSQOCYKNDKHR-UHFFFAOYSA-N 434.522 0.742 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 762949516 CPLGXLFPWDVSQV-ZRJZNHTDSA-N 437.456 0.697 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)NC(C)(C)C 763468225 UWDQEHDADARLQO-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 763556570 PUZRQXKYCWKMBN-UHFFFAOYSA-N 438.412 0.904 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cccc1-n1cnnn1 763728391 NSVHUSDHSJZMMT-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD CCCn1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 763732762 GEIZJAJBGYOAFU-UHFFFAOYSA-N 436.494 0.008 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763851774 VODWPXLEIIQREX-LBPRGKRZSA-N 442.407 0.264 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc(S(C)(=O)=O)c1 763959377 GKDXADBBYZILQS-UHFFFAOYSA-N 447.469 0.975 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2O1 764004094 QVDJPPOBXGRXAU-GOSISDBHSA-N 449.423 0.643 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1 764110733 SSSZNYBOHDTLPK-UHFFFAOYSA-N 434.474 0.789 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccc3ncccc23)c1 764253915 WPFJTZDFWSHQHA-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764275492 MMGXHEGFGYETGB-UHFFFAOYSA-N 442.428 0.030 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764318209 CZWBMAKFJNBSCS-UHFFFAOYSA-N 448.476 0.961 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764319596 OSSAWZDLVFNSQP-UHFFFAOYSA-N 427.392 0.206 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 764399124 ZQTUXVJECGHIMU-UHFFFAOYSA-N 434.478 0.438 50 20 ICGD CC(C)OC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCCC2 764433281 MCSFAYVRSIFQHK-LBPRGKRZSA-N 439.490 0.693 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3cc(C)cn3)CC2)cc1 765729422 RNPQHWJEEIQYQG-UHFFFAOYSA-N 448.549 0.044 50 20 ICGD O=C(CCNC(=O)c1cccs1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765732091 GEJDHGTZCDCYAH-UHFFFAOYSA-N 443.529 0.473 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn(-c2cccnc2)c1 766657102 ZXINRDGIRTWZSA-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD O=C(CCn1ccccc1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663688 LWFLFXFNVPTHSP-UHFFFAOYSA-N 431.924 0.857 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCNC(=O)c3ccc(Br)cc3)nc21 770357158 ZTFYOWQXOHIELA-UHFFFAOYSA-N 449.269 0.888 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)c1 771846715 SBBYMJSHHDYWDT-OAHLLOKOSA-N 446.485 0.735 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 775230613 DEJCDEIVEUOZKL-GFCCVEGCSA-N 425.536 0.400 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cnn(-c2ccccc2)c1 777631121 ZIHHEYKFIWOGQY-UHFFFAOYSA-N 449.514 0.794 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440315 DYKZHKDQUFUBAI-FKIZINRSSA-N 439.513 0.795 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(I)cc2)CCS(=O)(=O)C1 783426678 JKYICYIDMHLDOP-ZDUSSCGKSA-N 437.259 0.428 50 20 ICGD COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1OCC(F)(F)F 783427996 SFANEIPKLKYIKJ-HNNXBMFYSA-N 439.412 0.773 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 784005321 VHQRRGSLQUGHHM-UHFFFAOYSA-N 443.529 0.902 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 786681156 SMAODCZHMOXAFG-GZTJUZNOSA-N 433.486 0.727 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1ccccc1S(N)(=O)=O)C2=O 788228417 KAGIVHWZTVRJQV-BUXKBTBVSA-N 437.522 0.914 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789822233 UPOQBJYWSNTZFW-KXBFYZLASA-N 440.456 0.599 50 20 ICGD CCc1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1S(N)(=O)=O 797626127 PEFZUHTXAMRUQE-UHFFFAOYSA-N 449.489 0.976 50 20 ICGD CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 798337152 BRECJRDOUMBTNQ-RVDMUPIBSA-N 430.324 0.990 50 20 ICGD N#Cc1ccc(NNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c(C(F)(F)F)c1 799751056 JDJFWBZFSMISAA-UHFFFAOYSA-N 430.368 0.426 50 20 ICGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 800315358 ZGKNNAMGVLXTED-CQSZACIVSA-N 425.511 0.315 50 20 ICGD COC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 804124756 SPDIDRVEMPZKFT-TZIYXEQSSA-N 433.508 0.109 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 811462433 PKKFVSKYMDYDAC-LLVKDONJSA-N 430.870 0.838 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812726952 AKUDLARVFYDFMU-UHFFFAOYSA-N 428.492 0.350 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)s1 814333129 IGPXGEBDDRROMP-MXWKQRLJSA-N 435.514 0.248 50 20 ICGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815691460 QTBASRYTWXSXIP-LBPRGKRZSA-N 448.867 0.845 50 20 ICGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 832180952 XONWGHUFRSRYLA-UHFFFAOYSA-N 446.235 0.807 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1ccncc1 865897998 JCBMMEMCFKNGCG-UHFFFAOYSA-N 427.280 0.974 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1OC 913415687 NKXRFTUBCUCRMF-UHFFFAOYSA-N 429.401 0.722 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 913416844 WNCZZDBTOTYZSD-SJKOYZFVSA-N 435.458 0.349 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914831258 SHJIECBLWDMKHX-UHFFFAOYSA-N 429.838 0.734 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 914849069 OIFKEPLKBFSACL-OAHLLOKOSA-N 425.507 0.566 50 20 ICGD O=C(COC(=O)[C@@H]1COc2ccc(F)cc2C1)NNC(=O)[C@@H]1COc2ccccc2O1 1320296054 DVRBWOOHDFXOFY-UGSOOPFHSA-N 430.388 0.907 50 20 ICGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1335299971 ABJDESBDDOFKEE-LJQANCHMSA-N 435.488 0.870 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cccc1 1336289324 GYWHKVAZWJTYBV-INIZCTEOSA-N 434.518 0.850 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C(F)F)n1 1780310357 UZGSOXCVFCOBCP-FQEVSTJZSA-N 448.235 0.024 50 20 ICGD O=C([C@H](F)Br)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1781332847 FPXVAMISZMUKIW-SUNKGSAMSA-N 427.292 0.084 50 20 ICGD O=C([C@H]1CC[C@@H]2CCC(=O)N2C1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334454 NZIOBTRSMCCBKL-HRJSJKBJSA-N 446.317 0.908 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1O 1782126757 IDHUFETZILVBIH-APWZRJJASA-N 425.869 0.394 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc1)C2 1782172860 OWJHPNBCJGJWDA-LXGFNABISA-N 438.956 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(N)s1)C2 1782210797 MKECNOWSADJESG-AUUYWEPGSA-N 438.554 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)cn1C)C2 1782211908 FQXPJNFRLXQYLM-DYESRHJHSA-N 437.516 0.665 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782215030 VFOIRVHFOBCAFG-HWWQOWPSSA-N 429.366 0.985 50 20 ICGD COc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783770196 UDHXIIXDOGPREW-XSWJXKHESA-N 426.897 0.653 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783931262 YBTNQPIQGDIHTM-ZACQAIPSSA-N 425.309 0.668 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1783933823 ZODHJJASZUMSTB-LJQANCHMSA-N 425.436 0.176 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784095323 AQBQPDLTFAQCTQ-XSLAGTTESA-N 437.924 0.581 50 20 ICGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1)NC(=O)NCc1ccccc1 1784909358 BWOSYJAVFLRKNC-JOCHJYFZSA-N 429.521 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)OCO4)[C@H]2C1 1787810314 SRWAERHOPUHFQU-BXWFABGCSA-N 446.504 0.382 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]3C2)c(=O)[nH]c1C 1788761320 PTEOTLHRAJLVLL-JYJNAYRXSA-N 436.585 0.832 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791229317 OPLCHGSXHRARGU-URRYWWILSA-N 428.913 0.321 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791288570 GAYLIFOXLKYYFV-JYJNAYRXSA-N 437.566 0.726 50 20 ICGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)nn1C 1792868526 CZDRTWZAYHGKDG-MBMVNNNZSA-N 427.343 0.892 50 20 ICGD COc1ccc(C(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792976012 IXXJVXAPSKJSNF-BAAGSCJXSA-N 438.908 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(Cl)cccc3n1)C2)[C@@H](O)CCl 1792978390 SUOPKLNASOZJMY-DZJQYVJYSA-N 427.288 0.791 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)[S@](=O)c1ccccc1 1792984328 XDMRMTPUEAWBLS-UFKOZUNZSA-N 428.938 0.372 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1793455607 OBHCMNKTOPVVFY-HLPPOEQASA-N 426.901 0.254 50 20 ICGD COc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736794 GZORRVBKZYCVHR-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798712151 LUSIPPDEJLQEDF-PEGIJTEDSA-N 435.479 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCC3)C2 1801010822 WUUDKQNOGPMPJW-IRJINJETSA-N 442.560 0.680 50 20 ICGD CC(C)Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(C)n1 1801012903 CEQHIVIEGQSCJC-VPTLXERWSA-N 448.568 0.195 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807362303 JZGYURHPGRLYSU-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807363345 ZHWLAQOPFPFHTC-UYAOXDASSA-N 448.288 1.000 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 1809978956 ZJCRFXCMVPCJTA-UHFFFAOYSA-N 436.321 0.668 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cccn1 1813075199 XRCWAGYKXAPFHI-MMOPVJDHSA-N 441.536 0.918 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCC(O)CC1)CC2)c1ccc(B(O)O)cc1 1815348625 UCXUMQRJFVNTSC-OGVSOVDVSA-N 443.334 0.600 50 20 ICGD O=C(CNC(=O)c1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815782494 JWZBVLKPUQRDPQ-CABCVRRESA-N 434.884 0.827 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475434 QXGFCFNTMVNTCB-QGZVFWFLSA-N 427.314 0.784 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc[nH]n2)n[nH]1 1817759078 XDCKUHWODOIYIT-VXHUXDJESA-N 438.452 0.968 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870630 GKGGOTHNMRXMHA-LJQANCHMSA-N 437.585 0.848 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871272 QUPICRRGNZPUJI-AEFFLSMTSA-N 437.585 0.894 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278404 HFOAJPOEPDJHJT-GUYCJALGSA-N 428.283 0.173 50 20 ICGD CN(C)c1cncc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1 1833930430 VGEBHCPKQYJJAS-LJQANCHMSA-N 437.972 0.933 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835991145 PWDDIEVXCUMJKH-APWZRJJASA-N 428.917 0.063 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1 1837651737 GOBPWKQEHBIXHC-OAHLLOKOSA-N 447.374 0.363 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841627 PJUTWWJCIXSXFB-DOMZBBRYSA-N 447.374 0.361 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C3CCCC3)C2)C1 1840185663 USWMWUGWADILTK-FGBWHXJSSA-N 436.553 0.562 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271871 SECWOPJABKUCAS-ATNYBXOESA-N 433.343 0.777 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c(F)cccc13)C2 1844264502 YUNFFBZHYRQFKC-UHFFFAOYSA-N 437.435 0.831 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845870925 UUAWBYVLOJZYGJ-AAKUMTKESA-N 431.443 0.668 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1847142706 ASDBTUXKIRKZED-UHFFFAOYSA-N 443.309 0.241 50 20 ICGD CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 727118613 UQCWYTVXBPPASS-JKSUJKDBSA-N 437.518 0.931 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 728845402 JSNPOYJPJIQZFB-KBMXLJTQSA-N 428.493 0.404 50 20 ICGD CN1CCN([C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 728846804 RVWNWQNXLMNONR-HXUWFJFHSA-N 437.548 0.829 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 728945249 XYZCPBFNXGBTGQ-UHFFFAOYSA-N 433.490 0.176 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1=O 729627400 JNMTYABLRIJEKU-AAEUAGOBSA-N 426.315 0.871 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)Cc2ccccc2F)c1 731344884 OQNDAXDPROYJDP-UHFFFAOYSA-N 436.465 0.313 50 20 ICGD Cc1c(NC(=O)[C@H](C)SCC(=O)NNC(=O)CN(C)C)c(=O)n(-c2ccccc2)n1C 733359283 KHQNGVBWXPSSBH-AWEZNQCLSA-N 448.549 0.254 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ncnc2[nH]cnc12 740746740 JTWUMXTYNZATKH-UHFFFAOYSA-N 433.450 0.139 50 20 ICGD C[C@@H](Sc1nncn1C)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619877 BLYGSFDVPMCTIE-GFCCVEGCSA-N 426.524 0.460 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 746310032 LGZYNZSGIYWXQR-INIZCTEOSA-N 427.396 0.060 50 20 ICGD CC[C@H](SC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 746855669 BABHYIVSYCGVNU-INIZCTEOSA-N 428.580 0.590 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(O)nc1=O 747778036 AHJKUBQCICVUDV-IBGZPJMESA-N 433.468 0.874 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1nccn(C)c1=O 747938785 ZIVFBYOTHWXYDY-LBPRGKRZSA-N 429.499 0.463 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C1 748246250 HUVASJLATCBDOY-GJZGRUSLSA-N 436.534 0.737 50 20 ICGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 749522874 JDBJSFZWEMJOER-MBNYWOFBSA-N 425.490 0.474 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(C)c2-n2cccc2)CC1 750243083 WTJUAPDUCWQJGV-UHFFFAOYSA-N 444.521 0.299 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc2c(cc1Br)OCCO2 755445966 JKZPDECSERRWLA-MRVPVSSYSA-N 434.268 0.808 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 756412403 SWAWENJBHXMIPK-SSDOTTSWSA-N 431.368 0.451 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 758051974 ITOCQKJIMWZSOU-SSDOTTSWSA-N 428.345 0.235 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763679644 BNRXNZZJTXTQEF-UHFFFAOYSA-N 443.395 0.365 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnc3ccccc3c2)c1 763718879 QAAQCRWVXNGXLZ-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 763842325 YPVZZFRMDUDUNZ-UHFFFAOYSA-N 435.412 0.485 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764006742 UHFPRFFQXJQUNV-UHFFFAOYSA-N 428.445 0.798 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC 764131758 KRSOXHLANYUXJY-UHFFFAOYSA-N 437.449 0.957 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c(OC)c(OC)c1 764138281 ARXHQEPQTSFDKK-UHFFFAOYSA-N 445.428 0.828 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1S(N)(=O)=O 764242611 VVHOOQSBGFJISP-UHFFFAOYSA-N 443.485 0.637 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764342166 BOQMZGDMCQJNCJ-UHFFFAOYSA-N 437.412 0.824 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 764372604 BNBZQOICEPCGNA-UHFFFAOYSA-N 439.519 0.307 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 764431262 ANGAASOHDLUMHT-ZDUSSCGKSA-N 427.339 0.392 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNc1ncccn1 764761170 KROOLHOTSCOTOH-UHFFFAOYSA-N 436.469 0.372 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@@H]1CCCCO1 765120171 ZOGRIFSRCYIDNH-KRWDZBQOSA-N 444.985 0.977 50 20 ICGD CC(C)(C)OC(=O)N[C@](C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 767685467 WBXUFGHQBGXBIF-KUHUBIRLSA-N 440.522 0.944 50 20 ICGD COc1ccc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 768152024 NNXSKLYNCOOUEZ-SFHVURJKSA-N 430.413 0.913 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 771933699 XYMKPGCLKZQOTM-LBPRGKRZSA-N 443.478 0.005 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCCO1 772007510 PUEAHPRTAFPRFV-KRWDZBQOSA-N 425.507 0.357 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 773072805 OZUHEVJNYDWPBM-UHFFFAOYSA-N 425.492 0.268 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1S(=O)(=O)N(C)C 773726215 LCZRUQRRNAGUTH-UHFFFAOYSA-N 438.466 0.216 50 20 ICGD COC(=O)c1cccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 780793014 PMENNKZUQQHWNY-UHFFFAOYSA-N 432.458 0.351 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 782837398 KJTDHEKZAILCKR-UHFFFAOYSA-N 442.497 0.910 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1F 785059803 AXWOKLVABRKKLG-UHFFFAOYSA-N 429.408 0.827 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 787890331 YMYUGCZGNWZWBI-MNOVXSKESA-N 447.897 0.274 50 20 ICGD COc1cccc(C2=NO[C@H](C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)c1 792020078 DDNHRIYABDTWDZ-INIZCTEOSA-N 431.474 0.943 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)nc1 792397931 QPIVFVPOZOICDL-UHFFFAOYSA-N 430.487 0.447 50 20 ICGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1F 793451544 UPXOOVVXWIJZCH-NSHDSACASA-N 441.441 0.233 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 794498285 SLUWOMZNPVTODP-UONOGXRCSA-N 445.542 0.222 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 794598998 RNSKKMQQHVRUPY-UHFFFAOYSA-N 426.382 0.970 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 796177131 KEFHQFNUMDRCDK-UHFFFAOYSA-N 444.469 0.355 50 20 ICGD CC(C)c1ccc2occ(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 804459828 QOXVIXYQIJVTIJ-UHFFFAOYSA-N 438.444 0.765 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2=O)c(OC)c1 805071168 PCTSBBHUWJKRRJ-KRWDZBQOSA-N 427.461 0.773 50 20 ICGD CO[C@@](C)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 812444431 AEBLEABAPWYPIO-HXUWFJFHSA-N 439.534 0.603 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n(-c2cccc(Cl)c2)n1 815691205 IIOCEBFZENOFTK-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD Cn1ccnc1Sc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815692309 OEUXDHPOFBALKB-LBPRGKRZSA-N 440.489 0.511 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(Br)ccc1N1CCOCC1 815778555 WZABNNYVAURKFV-CQSZACIVSA-N 441.282 0.551 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 919960693 ACDUUEDXMQEHOX-ZETCQYMHSA-N 433.842 0.621 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1254184025 JAIUDIREOBBJRY-FZKQIMNGSA-N 443.547 0.854 50 20 ICGD CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1333588329 QKHOXRGMRMWLSW-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779068435 KCMYNAWHVIWQLG-BXWFABGCSA-N 432.901 0.719 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1779076884 RQEMHJYNPFVARW-WHCBVINPSA-N 449.298 0.095 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780220545 GMUOJNKDIHLQKL-SUMWQHHRSA-N 428.276 0.655 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c12 1782471675 FJNJGHLUNHZNLK-HSZRJFAPSA-N 448.288 0.308 50 20 ICGD Cc1cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2[nH]1 1782536562 LZKHYCYZOFCCBZ-XMMPIXPASA-N 447.300 0.913 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](C)Br)C4)C3)(C1)C2 1783539490 KGCRDXZFAQAWML-QGOKIACBSA-N 429.311 0.943 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1783966293 DETHBKWWKPLHBE-YXMSTPNBSA-N 442.358 0.925 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21)[C@H](O)CCl 1784092009 CMWWKGWNAFTZPT-CEFQPYBMSA-N 429.832 0.927 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c4nncn4c3)C[C@@H]21)[C@@H](O)CCl 1784092242 KJIFTKUAIGHOJZ-LVGORTOPSA-N 442.303 0.576 50 20 ICGD CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785879845 PVWUIAFARFIBEE-YYWHXJBOSA-N 437.305 0.231 50 20 ICGD CC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786432678 KOFONPZCLAMONW-VYOPWZLOSA-N 431.493 0.469 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)NCc1ccco1 1788717875 BNZSWPCXCLFOGA-OQSFXPJBSA-N 439.896 0.031 50 20 ICGD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288550 DCDXXQDJIRAGDQ-WDSOQIARSA-N 431.537 0.610 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975067 IPPMJLFKNYPXNP-UXXRCYHCSA-N 433.933 0.337 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)Cc2ccccc2C1=O)[C@@H](O)CCl 1793196264 CHOYDVVBDBEPIX-DFGXFYAUSA-N 447.919 0.840 50 20 ICGD CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1793500256 WLPFYPYHJZFCEH-BTTYYORXSA-N 432.433 0.908 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC1)NC(=O)NCc1ccccc1 1795021675 FBMNGHFPUHNMSF-CEQLMSFQSA-N 443.548 0.722 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443701 BVXGGQZZMGGZOS-YGADERNFSA-N 432.525 0.050 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(=O)OC)nc1 1796565392 GDYMYDFRWLQNJS-FQLMCAECSA-N 425.869 0.325 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc2ncccc12 1796666958 WDRJXTGVMCRTGS-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1OCCO2)c1cccc(B(O)O)c1 1797481729 PHMQMXCZUNEUPD-BCDXTJNWSA-N 436.273 0.703 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1797759461 PRXFSFZFNPKXFZ-DDFXLWFNSA-N 425.382 0.296 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(Br)CC1)C2 1798442046 STHJCMMNBBBBNX-ZSBIGDGJSA-N 436.310 0.864 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800642044 SWPXNLYNYLYTJV-HPCHECBXSA-N 433.347 0.457 50 20 ICGD CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccc1 1801011189 NBNZPCYFSFRCAZ-BMQTXXJKSA-N 433.553 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1 1802529858 NVOBRHYWDSLSTJ-TYCQWZJGSA-N 443.504 0.787 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1810298632 KUTNIMDEBOEZOH-OXQOHEQNSA-N 448.487 0.296 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@H]1c1cccnc1 1812846266 YRHXSOCYYJZIRX-AYOQOUSVSA-N 438.488 0.579 50 20 ICGD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815341067 SSQXRFOHLXINOU-CQSZACIVSA-N 439.306 0.648 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350534 XFXFKZCTWUEIHF-PZSREKOKSA-N 431.323 0.456 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817116149 SMHBUAFWMCHKSC-FYBVGQRMSA-N 426.923 0.917 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1ccc(F)nc1 1820367419 YBDLXGLJVOJJIO-CQSZACIVSA-N 440.265 0.897 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415320 YLYZWQCNOCRGMT-HIFRSBDPSA-N 433.513 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCSC(=N)N)CC2 1826085426 SYXOYADZVODMJC-SNVBAGLBSA-N 441.583 0.445 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733058 ZWEHUACMBACYAH-KXBFYZLASA-N 427.885 0.068 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735709 MAWLQLHBKYUYIE-OXJNMPFZSA-N 434.880 0.300 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1831458069 TYSUJDLLIYRQEH-IBGZPJMESA-N 442.321 0.553 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833203590 RBZMCAUQAXSXCZ-BXWFABGCSA-N 428.917 0.229 50 20 ICGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cc1O 1833407204 GKVBMDOOZSNWHS-SFHVURJKSA-N 426.546 0.047 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834390890 IIQIKTSTLIAMHL-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835136269 LJJDPOBIQAHMRY-YLJYHZDGSA-N 431.961 0.573 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652618 OADNAPLTEZQROK-JKSUJKDBSA-N 441.381 0.696 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836084797 SFKTZUNANHKHBR-SUMWQHHRSA-N 432.930 0.099 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1836199824 FHPHIUPNERFVLZ-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836440542 FVCWXWOFHNKEDO-OXJNMPFZSA-N 436.896 0.838 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836893272 ZACUPENAUMEAMZ-KKSFZXQISA-N 440.585 0.765 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366633 PHZBGIMUYHFJSO-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839155433 UAFVHXKMZUKATB-IRXDYDNUSA-N 434.324 0.361 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840032657 GLCIUICDILPKGV-GUYCJALGSA-N 444.330 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cc3ccccn3)C2)C1 1840155622 FUDYJWAGBUCLOT-MDKPJZGXSA-N 439.940 0.970 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458842 CGSJWAPYOVHINN-QFBILLFUSA-N 426.901 0.119 50 20 ICGD CC(C)c1nc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1841997061 VGOPMOHAXFUEQA-UHFFFAOYSA-N 427.465 0.251 50 20 ICGD O=C(c1cccnc1OCC1CC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010589 HIRQXHVIQKYIFD-UHFFFAOYSA-N 435.289 0.681 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011661 CLXMFZPVGVBIBA-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD O=C(c1cc(N2CCCC2)ccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013829 SNXDBQJHDIRJTO-UHFFFAOYSA-N 434.305 0.492 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843014474 NDXKATSTPAYJLL-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD CN1CC(C(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1845039495 VHAGSYULATYEAZ-UHFFFAOYSA-N 428.537 0.098 50 20 ICGD COc1cc2ncn(CCCC(=O)NNC(=O)Cn3nc(C)cc3C)c(=O)c2cc1OC 10765879 BKFPSHGNHAUSIH-UHFFFAOYSA-N 442.476 0.855 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(=O)n(C)c1=O 16881511 HJMNOUBVWAHUFN-YCRREMRBSA-N 433.218 0.947 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 107921631 LLWRQXFNVMWSHX-MRXNPFEDSA-N 436.407 0.602 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1OC(C)C 111134898 STQVOMRKNKYPKQ-UHFFFAOYSA-N 433.442 0.989 50 20 ICGD O=C(Cc1csc(N2CCCC2=O)n1)NNC(=O)c1csc(N2CCOCC2)n1 726089404 OQEZSNZAMMCJKE-UHFFFAOYSA-N 436.519 0.567 50 20 ICGD O=C(NNC(=O)c1c(Cl)cccc1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 727794830 SBUPGLKSQZUFIB-SECBINFHSA-N 447.300 0.920 50 20 ICGD O=C(Cc1cc2c(cc1Br)OCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 728389148 NTUJROMSCQHSJS-VIFPVBQESA-N 433.280 0.345 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1Br 732238893 PTYLJDACSXEHMC-UHFFFAOYSA-N 449.327 0.826 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 741658804 GNZYOSJVOHONBH-UHFFFAOYSA-N 429.462 0.176 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742032822 BYBYERGJBIBWAY-CQSZACIVSA-N 437.522 0.547 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccn3)CC2)c1 746123071 FLRUALXFFBLTRA-UHFFFAOYSA-N 431.518 0.458 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)N1C(=O)c2ccccc2C1=O 746185544 KDZLKEGKSIZABK-RDJZCZTQSA-N 436.424 0.068 50 20 ICGD CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748623312 MCKRYKDXFWJNGR-MRXNPFEDSA-N 426.543 0.293 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1I 758048283 RMZOOZAVBUESPL-LURJTMIESA-N 429.211 0.129 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)CSc2ccccc2O)n1 760289824 GBYPSUNARRJOKI-UHFFFAOYSA-N 441.473 0.863 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763573884 VWOVMAXNYVKTEF-GOSISDBHSA-N 428.445 0.683 50 20 ICGD CC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 763574923 MCPRBCWFLMPOJV-LJQANCHMSA-N 438.440 0.912 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)cc1 763748056 VKLIXQYBKQTIAY-UHFFFAOYSA-N 440.865 0.922 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763823254 AHYRHVYSYOSGDQ-UHFFFAOYSA-N 447.517 0.658 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OCC(F)(F)F)c1 764003013 WSQCZGZQZJQZEF-SNVBAGLBSA-N 437.396 0.457 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c(OCC(F)(F)F)c1 764098397 MPGUJPFUAZPLAT-UHFFFAOYSA-N 443.338 0.846 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1cccc(OC)c1O 764130369 FVTYQQOUKWGQQV-UHFFFAOYSA-N 447.400 0.604 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2)CC1 764169204 NMGKRJKWIAGWJM-UHFFFAOYSA-N 441.488 0.776 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)CCc2ccccc2)CC1 764187156 DZFSUEWHJBZOBX-UHFFFAOYSA-N 437.500 0.793 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764239789 UXEMHBMADFIAIK-UHFFFAOYSA-N 433.421 0.214 50 20 ICGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764261061 XKYGIYXZOIHNDY-UHFFFAOYSA-N 425.493 0.854 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 764326438 IJNVDNPFJOBEGD-UHFFFAOYSA-N 429.355 0.952 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN2CCCO[C@H](C)C2)c2ccccc2c1=O 764587673 RGXJZJSSLDQEEE-OAHLLOKOSA-N 430.509 0.861 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765119479 XIBOPKYMBLICHM-IAGOWNOFSA-N 437.566 0.288 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765735105 HXNVWWNBJYGDBS-NRFANRHFSA-N 449.511 0.570 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 771211085 BJVGUQMMTZTAHN-INIZCTEOSA-N 433.424 0.910 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 771964929 NZUQESLDYQQZCK-CHWSQXEVSA-N 430.483 0.181 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc(Br)cs1 782186025 UNAVDTRLSPHDHN-UHFFFAOYSA-N 432.325 0.936 50 20 ICGD O=C(CNC(=O)c1cccc(F)c1)NNc1ccccc1S(=O)(=O)N1CCOCC1 782719104 PRSQTVNDACPPKS-UHFFFAOYSA-N 436.465 0.720 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 782896391 HOPWHAOZGOQVIN-UHFFFAOYSA-N 433.465 0.778 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)c1ccco1 783523158 BQLNHJDXICJTOW-UHFFFAOYSA-N 443.503 0.243 50 20 ICGD N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004234 CKYYGVXEQFAFDQ-UHFFFAOYSA-N 437.384 0.737 50 20 ICGD Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004575 YANFLUACELYLJZ-UHFFFAOYSA-N 428.430 0.622 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 784846653 VHGTUDDIRBLWQK-MRXNPFEDSA-N 441.444 0.186 50 20 ICGD CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1=O 787102076 NGDMPYMKMRYWDC-MRXNPFEDSA-N 426.385 0.768 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cn2)cc1 793021583 FTVKMOWLTFNATG-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794076915 OSKNRJBMPCVNFF-UHFFFAOYSA-N 437.478 0.389 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 794331176 YTXUDXHCIKEXLS-ITGUQSILSA-N 427.502 0.954 50 20 ICGD O=C(NNC(=O)c1cn2c(n1)CCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 799294230 UXWLEBVJGUUKPJ-UHFFFAOYSA-N 433.490 0.315 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC2(S(C)(=O)=O)CCCC2)nc1 807537621 NOGCYUPJTAVFKN-UHFFFAOYSA-N 433.556 0.752 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1F 810385675 YQLBWKCFPWNTGL-ZDUSSCGKSA-N 435.339 0.677 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813033892 QDSBLYFPFJLVIJ-UHFFFAOYSA-N 443.489 0.908 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C[C@H]3CCC(=O)N3)c2)cc1 816827679 BAUBBFGUEVEXRO-OAHLLOKOSA-N 446.485 0.926 50 20 ICGD CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N2CC[C@@H](B(O)O)C2)cc1 864234889 XXKFUADPONFJRO-IAGOWNOFSA-N 438.355 0.593 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cc(Br)cn1 916734689 LOGZFXAUIFTGMM-UHFFFAOYSA-N 429.300 0.708 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 918137794 FLAMTNAECFWYEP-UHFFFAOYSA-N 448.524 0.776 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 920010542 IUZUWJXYCQNLKH-UHFFFAOYSA-N 430.486 0.856 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@H](C)O1 920737174 AXIRCYSGRXVFPJ-KBPBESRZSA-N 446.957 0.655 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1778094406 JAQMWAPMTFQNMM-BYJOMCJTSA-N 435.550 0.953 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780440674 GRRYFETVUQSWRP-FQEVSTJZSA-N 444.517 0.461 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1O 1780751828 HBVWRSPTPXTNMG-NRFANRHFSA-N 434.493 0.217 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2)[C@H](F)Br 1780773276 LVQHZSIYYPNWTN-RSAASHCRSA-N 447.261 0.706 50 20 ICGD O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783023302 WEHHMSJTDYAPBX-OXJNMPFZSA-N 449.301 0.911 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783529299 HKWLFTCQURYWSC-FZKQIMNGSA-N 439.310 0.425 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)c(=O)[nH]c1C 1783531634 AFDIRWHZDKQPRJ-BTDLBPIBSA-N 427.299 0.614 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783874357 DHSKFRJKZQEKGA-IERDGZPVSA-N 448.907 0.863 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]3C2)CC1 1783973659 CFXUYLBIGXMMNP-RFGFWPKPSA-N 431.327 0.950 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785333431 PNZHWIINTKSXCD-DYESRHJHSA-N 437.924 0.890 50 20 ICGD Cc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984581 PTWQDOMIAVPXBA-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]3C2)CCC1=O 1789868666 IRCCEKJAKPMZQS-MMNXLFCMSA-N 433.336 0.811 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(Cl)c(O)cc1O 1789992652 OBZAMLBTXAMZQU-NAMSACQYSA-N 433.288 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791257518 LCIGALJGUFKEGC-XQLPTFJDSA-N 433.933 0.745 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr)N1CCN(C)CC1 1792874003 IKOPFEKQVGLZIO-VIQHNZTISA-N 445.402 0.243 50 20 ICGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1794778325 JPGKEWVBCBBDJZ-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795299318 GBPPHGUSGHKWIE-KPEUIFRASA-N 444.937 0.040 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnc2[nH]ncc2c1 1797346167 HPAGPBSWLVBAFN-RNJOBUHISA-N 426.246 0.852 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncncc2c1)c1cccc(B(O)O)c1 1798128111 YJYJZNXSMJECIU-ACDBMABISA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)cc1 1798931424 HVHQTEWTLROKRC-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD COc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1799451874 WKBSUMUCBBBDEE-UPHUGPLXSA-N 432.521 0.580 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnc1 1805463109 QHTPBMHDGOJVSH-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnn2C)[C@H]1c1cccnc1 1805723818 JBHNLUHTDAYRCT-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805800246 JCJBXQGQZOVIKK-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360680 UAWYPDJHROHPER-LKUPVBHCSA-N 435.289 0.119 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369461 KMAYYIJUMVGQFF-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371077 PCYRQJQZTTUCKT-PZJWPPBQSA-N 437.305 0.508 50 20 ICGD CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCO1 1807371105 PYIZRKCLXUDUIJ-RXVVDRJESA-N 435.289 0.775 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374609 LUODBPFRHNZDQP-RXVVDRJESA-N 425.294 0.508 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808259380 HVOBZOAWURXBTR-DVOMOZLQSA-N 444.883 0.545 50 20 ICGD Cn1cncc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1808539395 ZVMVLACKIRRWRH-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713345 VKNNVWGJKOTHCP-CMKODMSKSA-N 440.972 0.782 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812778145 YHCPINKXCCPQEW-XAJHFOFHSA-N 439.354 0.984 50 20 ICGD O=C1CN(CC(=O)N2CC[C@@H](CNC(=O)C(Cl)Cl)[C@H]2c2cccnc2)C(=O)N1 1813075332 BLAAMYDSOFVOGZ-SMDDNHRTSA-N 428.276 0.443 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3C=CS[C@H]31)CC2)c1ccc(B(O)O)cc1 1815348451 PBKKUAASXDBBHR-BQGCOEIASA-N 441.343 0.924 50 20 ICGD CCn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355194 QWVJUYUVJDUAEC-AWEZNQCLSA-N 439.306 0.579 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476536 WGNPVASZVDDLRH-SUMWQHHRSA-N 439.281 0.086 50 20 ICGD Cn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402075 LQNSCSMJZUDKOM-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1819597304 QSTVWXDRYYCVQL-MRXNPFEDSA-N 441.605 0.540 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821621816 FHLFASMKCMUCCH-RDTXWAMCSA-N 427.314 0.736 50 20 ICGD O=C(CN1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049275 QNVYSJNEDVEXDB-NRFANRHFSA-N 427.354 0.696 50 20 ICGD Cn1ccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925735 QPNIKNAROMWZFK-SFHVURJKSA-N 439.520 0.966 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1830533214 IFASJSLEZFTCCS-QAPCUYQASA-N 432.359 0.570 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831196863 XQVGTCFJMONSOC-LJQANCHMSA-N 439.520 0.884 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831643661 GDQUMNDJGRXITP-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1833454076 PDDMWLXJZMXFLC-UHFFFAOYSA-N 447.674 0.844 50 20 ICGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1834523908 CHDVFIWVTZIFAB-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)N1 1834586787 JORAGMBSYMWVFW-OAHLLOKOSA-N 429.359 0.622 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835823563 ULOZPNVVJICZCD-WFXMLNOXSA-N 439.940 0.439 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716969 BCQXXNRDQPSYNS-QGZVFWFLSA-N 438.912 0.618 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1=O 1837710392 YMZDJKZENSQCQT-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715045 SVVMCYZEZJIQIC-HXUWFJFHSA-N 442.585 0.804 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150955 CVNPAZOVCBHGDV-ZLKFPQNLSA-N 437.320 0.798 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839151907 IBTYSAVLNYMWRC-ZWKOTPCHSA-N 448.303 0.799 50 20 ICGD N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1F 1839185852 NYKGTOSCOPWGCO-YLJYHZDGSA-N 439.871 0.296 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839286319 HOWSZUPMJVRBEE-MAUKXSAKSA-N 436.814 0.774 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1839965690 HSFNDFNFMPEWFB-GLJUWKHASA-N 446.342 0.237 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840035919 KMBSRSJWSVVYHM-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840037346 YMJPDVJHEBPCJI-HEHGZKQESA-N 430.303 0.079 50 20 ICGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187716 ROXDFVOBUNCQNS-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840463134 RYJSDKOPMNVSEA-XLIONFOSSA-N 427.929 0.979 50 20 ICGD Cc1cc(C)n2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2n1 1843012094 CJDTUGWUDHNTIF-UHFFFAOYSA-N 432.289 0.762 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217422 YEUAUNDPBNNWHT-NSHDSACASA-N 435.275 0.346 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846961757 QXPPVBILSKZRFA-KRWDZBQOSA-N 445.325 0.487 50 20 ICGD COc1cc(I)c(C(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 725712556 BSJRBVBWVUSMEY-UHFFFAOYSA-N 447.229 0.692 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)c1ccc(I)cc1 726615125 YTPFONZGQHMXRR-UHFFFAOYSA-N 431.230 0.926 50 20 ICGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 727943004 TWFVPYZLGVROCU-UHFFFAOYSA-N 446.532 0.538 50 20 ICGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 728853924 HXDSYFGNHMUJNI-UHFFFAOYSA-N 432.462 0.148 50 20 ICGD Cc1oc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 732260558 FZDGUAZVBNJSSS-KBPBESRZSA-N 442.538 0.633 50 20 ICGD O=C(Cc1ccccc1)NCCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619749 XCXGZNDQUNCUMX-UHFFFAOYSA-N 446.529 0.900 50 20 ICGD COC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccco1 746771592 UGINMKQALNHTGQ-OAHLLOKOSA-N 438.510 0.625 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1ccc(Cl)cc1F 747580950 LADIVLULOFUWAP-LBPRGKRZSA-N 436.893 0.912 50 20 ICGD COc1cc(OC)cc([C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)c2nccn2C)c1 748445305 QCSKNENAIUIUTO-MRXNPFEDSA-N 430.465 0.480 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748838137 KZJOGBYAKCBOFS-INIZCTEOSA-N 425.493 0.122 50 20 ICGD CN1C[C@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1=O 750653136 PPIFUBVCYVGFGV-OAHLLOKOSA-N 434.456 0.620 50 20 ICGD CC[C@H](C)OCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 751561018 HJZFNCJNVRZHRH-HNNXBMFYSA-N 427.523 0.603 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ncccc1C 752235105 LZJCWXUVYAGQIY-HNNXBMFYSA-N 448.501 0.393 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O)c1 754675241 ZZUYQVKQQZZAOB-GFCCVEGCSA-N 434.540 0.094 50 20 ICGD NC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1 757399216 NCFJASPMMKEIKF-UHFFFAOYSA-N 440.432 0.398 50 20 ICGD Cc1ccccc1-n1ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C(F)(F)F 758052598 IXWYHRVGURFAGT-JTQLQIEISA-N 433.412 0.898 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)nc1 759725047 KHUJPBRPBLMWQT-UHFFFAOYSA-N 426.476 0.708 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763658381 WIHVYGBEJUCSND-CQSZACIVSA-N 426.429 0.464 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763773043 TYYJWNBGFIFYOO-UHFFFAOYSA-N 430.417 0.688 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1Cl 763806842 DXSPFUHUMPSLCC-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763808041 UASSHRDQGMDRGT-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)cc1 763809811 PYTMEOFJUHFBNF-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC(C)C 763888108 FZUZDBWZHTWZSC-UHFFFAOYSA-N 426.495 0.148 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)cc1OC 763902637 VXVZRKVFWSWMBG-UHFFFAOYSA-N 439.432 0.778 50 20 ICGD NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)CC1 763918304 BEMCXHFUXAYXPI-UHFFFAOYSA-N 441.463 0.856 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764154069 OAOOSQSTMKGFBJ-KRWDZBQOSA-N 444.469 0.316 50 20 ICGD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 764230784 LBEVRWYIYNINCC-VXGBXAGGSA-N 430.552 0.909 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764297775 YWRONIGZIBKXHV-UHFFFAOYSA-N 436.494 0.076 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cc(C(N)=O)cs3)CC2)cc1 764819319 QTBZEQRIOKZYMH-UHFFFAOYSA-N 449.558 0.612 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)N1CCN(C)CC1 766661273 VFHMKFRQPHRZKH-QGZVFWFLSA-N 436.988 0.241 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCS(=O)(=O)C1 768498259 ZLCQORIUAJSXAE-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD O=C(NNC(=O)N1CCSC2(CCOCC2)C1)c1csc(N2CCOCC2)n1 770307104 OGAWCLGQDAGLLX-UHFFFAOYSA-N 427.552 0.932 50 20 ICGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc12 771608595 VYLISSAQJXSDRD-UHFFFAOYSA-N 436.881 0.556 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccccc1-n1ccnn1 784214075 UMJQLEHQNYOIFH-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccnc(F)c1 784848662 KGNNZMAFIIWSGU-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD Cn1cc(-c2ncccc2NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1 786416091 AFQZJIRBJNQDKL-UHFFFAOYSA-N 445.480 0.873 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 788168754 BIZVRVQFFZZDRO-UHFFFAOYSA-N 425.511 0.082 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 792268180 KHNVNQIELGLHPW-GOSISDBHSA-N 446.467 0.905 50 20 ICGD O=C(COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 792816016 IBAXUFLTAJMUCP-OAHLLOKOSA-N 447.425 0.860 50 20 ICGD CN(CC(=O)NNC(=O)N=c1cc[nH]cc1)S(=O)(=O)c1ccc(Br)cc1 802028986 HXWDDUAFSYHZEI-UHFFFAOYSA-N 442.295 0.739 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 802566619 XZIOFDFZDWBEHA-OAHLLOKOSA-N 430.486 0.501 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 805195367 NORRTGPLOPUTFS-UHFFFAOYSA-N 434.404 0.602 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)s1 806978153 PABITHQWZPPNQQ-QMMMGPOBSA-N 431.521 0.204 50 20 ICGD COC(=O)c1cc(Br)cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 812534343 KLFKABYVQWWIOV-NSHDSACASA-N 434.268 0.367 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 814223469 IJEKKPWKHQFDGS-GFCCVEGCSA-N 426.429 0.996 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)ccc1OCCC(C)C 816828722 NAUWAQHYRDGQEF-OAHLLOKOSA-N 442.538 0.797 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cn3ccsc3n2)cc1 916218887 WMPWEXYYJZLASE-UHFFFAOYSA-N 436.519 0.855 50 20 ICGD O=C(CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NNC(=O)c1ccc(F)cc1 917132452 RJUTWUCJXVZHPJ-UHFFFAOYSA-N 445.476 0.353 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1777980398 JBJBBPBLDGXMAX-HPTBWKMGSA-N 433.347 0.731 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1)[C@H]1SC(=N)NC1=O 1778025458 AJYPPXWPSVWCLK-INABMFAFSA-N 434.921 0.837 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)c1c[nH]c(=O)cn1 1780124181 PRLFBRKDQLJJJM-PVXIVEMSSA-N 431.262 0.588 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1780710139 JPVBCNVDPDNBBR-IBLZFVKESA-N 449.335 0.335 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781226485 ZGMQBESFFMYZAZ-DAXOMENPSA-N 444.381 0.380 50 20 ICGD C[C@@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1781241601 NTMXVPFXVDQWBI-BIENJYKASA-N 446.932 0.083 50 20 ICGD O=C(c1cnn2ccncc12)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329412 FMWHJYPQPWSRHF-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781780338 UEHOIDSTIJMOBI-UYAYXHRUSA-N 430.343 0.810 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782653702 XVFXYGZDHCFBNN-HXOBKFHXSA-N 437.305 0.084 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1783873809 UVBFWKNOVSEFNQ-ORAYPTAESA-N 442.900 0.860 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784525311 WOVNNSDOENHQQC-NDKCEZKHSA-N 439.372 0.430 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1785392628 MPAQZLMMWVUBNR-XELNPYELSA-N 437.447 0.996 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786978809 YDACMUUSFOJPSX-WBAXXEDZSA-N 443.696 0.322 50 20 ICGD Cc1ccc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786982251 UOOMQTJLMQVHAF-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1789871760 JBXOCXKRKXGFKL-DEEHTKSCSA-N 441.377 0.780 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21)[C@H](F)Br 1789924848 FFEPUIMWCVDWHU-NWBUJAPZSA-N 441.319 0.234 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791256660 SZPHPXAKLHOAEF-CYDGBPFRSA-N 449.982 0.080 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1C 1793831270 UNTOSEQFFYFHKY-USYVTKNRSA-N 435.952 0.887 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794110979 AEIHKCIRMYTCNE-APLFDDQLSA-N 438.912 0.600 50 20 ICGD O=C1Nc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cccc2C1=O 1796191550 XKFBEGHEHWSMHM-MUJYYYPQSA-N 447.256 0.067 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Br)C4)cnn2c1 1797420375 QDIDVLGHVGMFKW-XCCSTKFXSA-N 440.273 0.931 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(-n2nccn2)c1 1798628593 VFCFINGFSYQEKF-LTCOOKNTSA-N 433.896 0.379 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2SC=C[C@H]21 1800251440 QOSQQPPMHMKPPO-QBIXCPBJSA-N 443.529 0.585 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1800970307 BPIHYNDGRRRXAM-QRJUGERDSA-N 445.944 0.839 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2 1801011946 XHOSLKQQUNDPNH-DRXBFXEBSA-N 428.942 0.978 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361004 UUXXCADWADFIGD-DZFGPLHGSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812888618 PSBZOHIFADNJBH-SSXICUSMSA-N 449.316 0.649 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1c1cccnc1 1813071837 YRAWNXZAEOOGIJ-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)c1ccco1 1814457867 FNIPNUSLJGQHDX-VQIMIIECSA-N 438.249 0.722 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360539 TUWZKCUIDKOEMN-DOMZBBRYSA-N 444.322 0.850 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCBr)n[nH]1)C(=O)C(=O)O 1816784494 JQDZUWBJODTKCF-LLVKDONJSA-N 444.286 0.730 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817474242 BJMABDVLOWFZOO-KVWWFHCMSA-N 440.309 0.947 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccn2)[nH]n1 1819401947 GPTXTSBTTDMJFT-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCn1ccnn1)CC2 1826092043 JPTXMOIAKQZGCI-LBPRGKRZSA-N 434.526 0.110 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1830537388 GKTXDBSNTFHFIO-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1830547020 ZEFOAWVODHCLSN-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725791 MBHVPSCCCJELQA-DENIHFKCSA-N 447.919 0.833 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)co1 1830731731 OSQNPQYKWDSXKL-HNAYVOBHSA-N 444.988 0.495 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830737097 CWINRJGFIJHNII-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)CN1 1833121722 KOVKMPSJHPYUDH-BLLLJJGKSA-N 447.349 0.775 50 20 ICGD O=C(c1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834481859 SPPSVORIHNIFAW-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797586 NEDHBSAXELDPTO-OAHLLOKOSA-N 449.943 0.620 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)o1 1834819212 KLJHDGAJJLETPG-KRWDZBQOSA-N 445.314 0.596 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667471 FDOBIBDSXCGYJA-HXUWFJFHSA-N 428.961 0.990 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835672415 BDPZYUPKLXNIDN-SFHVURJKSA-N 445.358 0.510 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837602510 QAHGNWUQAHXGOI-WWGRRREGSA-N 425.295 0.947 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840029559 JIIUKVMOTAPKIO-KSSFIOAISA-N 432.359 0.568 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1840150411 KIQJDTMWEAYPHA-BEFAXECRSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCCCC(=O)OC)C2)C1 1840155656 GINVGVFRZSOYSF-JXFKEZNVSA-N 448.944 0.820 50 20 ICGD O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840384309 XUXGXGLBQGYDIY-NVXWUHKLSA-N 447.305 0.810 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846269187 CTPDEZKXYXSXGZ-CQSZACIVSA-N 431.298 0.097 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1846384733 BPSNNSQIUIEDJE-UHFFFAOYSA-N 440.504 0.356 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCCC1=O 1848099612 PDECPBONKJEQOU-KKUMJFAQSA-N 442.944 0.943 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15633289 NCPRGILTTHYGLL-QGZVFWFLSA-N 445.497 0.720 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2Cl)C1 17805976 AOFNORWLOJHHHB-LLVKDONJSA-N 442.925 0.800 50 20 ICGD NC(=O)NCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 22245171 PSIZWYLPKREGKM-UHFFFAOYSA-N 447.517 0.765 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2c(C)csc2=O)cc1 726069369 VLRJPFLQPVPBGN-UHFFFAOYSA-N 426.520 0.385 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728889384 GGORFUFPDPXWCV-UHFFFAOYSA-N 432.506 0.209 50 20 ICGD CC(CS(C)(=O)=O)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 732527744 IIVUGYMNZUFBHD-UHFFFAOYSA-N 431.536 0.177 50 20 ICGD COc1ccc(OC)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117359 SIFJJNZODVWNTB-UHFFFAOYSA-N 435.506 0.792 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-n3cccn3)ccn2)cc1 736066886 WRLGWFFAIWAXIB-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 745861665 NXKRIOWBDYCBLG-UKRRQHHQSA-N 426.495 0.077 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(Br)cc2F)n(C)c1=O 748199379 GYBWWUGVEAVPEN-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 748914149 NQVNTFLTXLMWQP-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD CO[C@@H](C)c1noc(CN2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 750276141 OJQOVVXHOPATLI-ZDUSSCGKSA-N 449.468 0.049 50 20 ICGD CCc1cc(Br)ccc1NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 753173658 LYCGMTGOQQBNJR-UHFFFAOYSA-N 435.282 0.902 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 756066309 MGIGYYWEOIZFIT-SECBINFHSA-N 432.384 0.874 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)CC(F)(F)F)C1=O 757630860 WNPWLHSEHOYUHS-UHFFFAOYSA-N 430.343 0.285 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 758050771 CNKHNWOSIMIXAW-VXGBXAGGSA-N 425.536 0.598 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763551539 PCNMJNJZKXJPBL-UHFFFAOYSA-N 441.429 0.513 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCNC2=O)c1 763572608 MVRJECJWKVBBKF-INIZCTEOSA-N 425.401 0.142 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)c1 763645700 XVOPSZBLVSVFRL-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763681932 PNUSTMLLJJCVPA-UHFFFAOYSA-N 438.444 0.263 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 763773707 ZSFAIKPQTKYPMX-SNVBAGLBSA-N 428.401 0.823 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C 763809529 WLDWSCFQGHATOF-UHFFFAOYSA-N 434.409 0.219 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 763994511 YTXRJXQFPAIFCQ-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccsc2)CC1 764025128 NHDXLSXUGNWQNC-UHFFFAOYSA-N 429.502 0.464 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C(=O)Nc1ccc(-n2cnnn2)cc1 764086367 RGNUYQBBEQGZMX-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 764108857 OOUNRRPQIZKMSC-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD Cc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1nccs1 764818265 QVZBHNDPTYCGHX-UHFFFAOYSA-N 440.489 0.448 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765313637 RTUBSCKCXYDAFH-UHFFFAOYSA-N 430.483 0.409 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1nn(-c2ccccc2)cc1O 766635675 CHPYEIQCNPWHHW-UHFFFAOYSA-N 448.483 0.797 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)cc1C 768263043 NMHDLSREYRDCPK-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD CSCCNC(=S)NNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 769767702 SQRDZOOMIPTUAL-UHFFFAOYSA-N 433.581 0.172 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1C 772888226 HCPLOJQIIBSRGK-UHFFFAOYSA-N 438.893 0.682 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772889584 RBROUDPPGAGIKS-UHFFFAOYSA-N 444.879 0.950 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)n(C)c1=O 777882106 NIZWRLXXMOILLA-UHFFFAOYSA-N 433.490 0.677 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782887346 TYCMWIIAKXYMTQ-UHFFFAOYSA-N 434.456 0.818 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)ncn3C)nc1 783262987 GUIIWGYPRKYAMW-UHFFFAOYSA-N 431.478 0.737 50 20 ICGD CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 784003073 PRDDQROGICSPEZ-UHFFFAOYSA-N 431.493 0.657 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 784003154 AOXPAILZNHIWND-UHFFFAOYSA-N 447.864 0.498 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 792847778 ATABVKQNIMLOHL-CVEARBPZSA-N 445.563 0.250 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Nc1cc(F)cc(F)c1 802004040 CSTZGEPEJJFIGF-UHFFFAOYSA-N 443.432 0.791 50 20 ICGD COc1cccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 802174501 BKTNKHSVKDEWHQ-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD CCOC(=O)CC(C)(C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 806873283 VFNDCYLMVIBTED-UHFFFAOYSA-N 441.554 0.830 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)nc1 807580722 DCVGFPDJONYLMP-CYBMUJFWSA-N 433.556 0.563 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1cc(Br)c[nH]1 808187686 JTDYFFKXSMTEDU-SNVBAGLBSA-N 448.343 0.925 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNc1ccccc1C(N)=O 808583489 XPIROEAUTGAGKF-UHFFFAOYSA-N 434.836 0.864 50 20 ICGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 813497238 CAJPGYXVWMHBBM-SNVBAGLBSA-N 427.303 0.416 50 20 ICGD N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CN3CCCS3(=O)=O)cc2)cc1 916109153 PASIWWFFEOKXHO-UHFFFAOYSA-N 428.470 0.787 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N(C)C 916577529 JKQUMYZXDADBEC-AWEZNQCLSA-N 447.517 0.586 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 917025298 SKYOYKOJKNHHPI-INIZCTEOSA-N 442.505 0.663 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919887301 ZMQPGQAWVWRRLU-CVEARBPZSA-N 438.506 0.695 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 919961180 VUNJTGKSIMLVIV-VIFPVBQESA-N 426.398 0.257 50 20 ICGD CN1CCC(NC(=S)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 920306984 DHMWFQLEKCAMFD-UHFFFAOYSA-N 433.559 0.938 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1319258785 FDNNLTJSZWFOEL-UHFFFAOYSA-N 428.493 0.666 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)C1 1328308831 NGXWSNKCZILQGK-AWEZNQCLSA-N 440.522 0.759 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C3)CC1 1778849915 FKQYISFSICGURX-NSISKUIASA-N 449.423 0.984 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852799 SYGGNOBYMAWNRU-GPMSIDNRSA-N 445.402 0.531 50 20 ICGD O=C(Cc1ccc(Br)nc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780870321 MZZUGCBXZHJWKK-GUYCJALGSA-N 446.729 0.816 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781485099 DKBJYNCRAWVQOJ-OXQOHEQNSA-N 436.585 0.609 50 20 ICGD CCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782672828 MNBBWHVYATWHFU-DYESRHJHSA-N 433.509 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1783883901 MULJKWLMDWDRBQ-KUHUBIRLSA-N 433.933 0.985 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1OCC3)CCO2 1783934985 NYZTXTSYIJPGKV-QFIPXVFZSA-N 430.505 0.438 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21)[C@@H](O)CCl 1784086878 QYWDLXIMAIHPSS-MGHWNKPDSA-N 433.896 0.460 50 20 ICGD CC(C)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)C 1786963052 XKJMEYPITXPRFY-RYLXDESZSA-N 439.601 0.362 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788565410 JEPGAQZDMKAULC-PLGIXQIDSA-N 437.368 0.910 50 20 ICGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610884 ZFMKYECNMFOKSH-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)N1CSCSC1 1788682707 MUBGAIJFBCULBI-LXFSFDBISA-N 438.015 0.609 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)N1CCN(C)CC1 1789923592 WRPYAHJZFHGONI-OLMNGRFOSA-N 449.365 0.293 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1793089089 CXFXDHRUKYETCB-FONWIUJUSA-N 447.891 0.689 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)C1 1793116462 OTJVVWVBWMERJU-SGQRUEDASA-N 445.944 0.596 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CC1(F)F)C2 1796445539 CWLOBNOYDYCFOR-DPRZVLLKSA-N 437.447 0.755 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797814890 BWEYPIAAFHGXKU-NPEIWNHISA-N 436.278 0.796 50 20 ICGD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cc1F 1798440779 RKYRUOMMNIVFMG-BTTYYORXSA-N 442.451 0.793 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(N)=O)cc1)C2 1798443649 RYKGDJZQZZPPSM-MUJYYYPQSA-N 436.472 0.350 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1803542336 QPCZONWGNOEGRB-YLJYHZDGSA-N 431.537 0.887 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805728819 JSCYOAIZBBZPDI-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363326 DDZLFMJCDUIRCB-DFQSSKMNSA-N 439.321 0.488 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2ccn(C)n2)[C@H]1c1cccnc1 1807519634 ZTRXRKCOWGARAR-VGOFRKELSA-N 441.536 0.437 50 20 ICGD COc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n1 1807875904 YXYWEFXYPIONBU-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303901 WBOOWTVGXMFKAC-KBXCAEBGSA-N 449.475 0.140 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1811536192 RCLKNWYPVXQKNC-GHTZIAJQSA-N 443.272 0.595 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1812864298 ODGRMYYXYVKLAY-NOLJZWGESA-N 437.342 0.711 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1=COCCC1 1813113888 IUJIIEWOAKTIQT-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534941 FKEXETLVKJHQOG-KRXQYRFLSA-N 435.359 0.881 50 20 ICGD O=C(CCOc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725793 RVOGKBGJQIROLC-PXNSSMCTSA-N 426.897 0.512 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731225 ICCJWKMZQBSTGI-XLIONFOSSA-N 449.895 0.141 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1831652253 XHVQIFXPQHLMIO-KBXCAEBGSA-N 434.990 0.334 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833216089 UFLOJJWBHPKHFJ-UHFFFAOYSA-N 438.956 0.748 50 20 ICGD CC(=O)N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(C)(C)C 1833399732 DNGDFYAHYIBKJD-MSOLQXFVSA-N 445.004 0.709 50 20 ICGD Cc1cccnc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833577058 USAYPPOYQSWIEW-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD CC(=O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n[nH]1 1834066541 DEYVVYXVSARNEJ-KRWDZBQOSA-N 425.917 0.397 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834823034 FKWMIVYVFUBRGI-SFHVURJKSA-N 443.342 0.838 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835147568 DWIGBMRHUIPRND-OXJNMPFZSA-N 426.897 0.430 50 20 ICGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835936930 KHIQUWGCGNIJQQ-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1)n1cnnn1 1836414344 FXJMCPQNLLOXTH-RISCZKNCSA-N 446.325 0.496 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837020750 YBPRWCFCTJCINX-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097536 QWYYMMMARYNSRM-UGSOOPFHSA-N 441.326 0.683 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324466 TXPRMWLCIPWUIP-BFUOFWGJSA-N 439.900 0.053 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838883455 GFKATVJEMZXEKX-UZLBHIALSA-N 426.897 0.755 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105448 HGOBOMHKNGDUMZ-UEXGIBASSA-N 445.004 0.486 50 20 ICGD C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186081 ZEHGMYNZUQZPHF-GOSISDBHSA-N 432.468 0.027 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCc2cnn(C)c2)C1 1843033070 GVNIMKKZFBSYKU-BUVRLJJBSA-N 425.493 0.690 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 1843383344 QXOAPCTYUQEAKD-UONOGXRCSA-N 433.933 0.983 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843481383 JVXPDYYSWHGQNR-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc3c1OCCO3)C2 1844264272 AJIVXKZGUONOQM-UHFFFAOYSA-N 437.456 0.587 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846069066 DWURCMIZPXWOTD-CYBMUJFWSA-N 436.372 0.094 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(C(=O)N(C)C)c2)C1 1846921991 DCFTUKSFYOLADJ-UHFFFAOYSA-N 429.521 0.578 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 16146031 CSMRTZXLYHTELM-NSHDSACASA-N 438.531 0.689 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 17197482 FATQKHNKZVAUOS-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCCc3ccccc3)c2)CCN1 727716111 ABNASENPBBWKHE-UHFFFAOYSA-N 444.513 0.591 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 730779509 CEYZRRRAHGOBNV-UHFFFAOYSA-N 442.453 0.850 50 20 ICGD O=C(CCn1ccnn1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 732050663 ZMRUTXBJVKOQJB-UHFFFAOYSA-N 428.474 0.608 50 20 ICGD COc1ccnc(NNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 732913555 AGMFCAKWBFOSGK-CQSZACIVSA-N 429.485 0.407 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(Cl)cccc2OC(F)F)c(=O)n(C)c1=O 732923854 LAYOHOLSGYLVCS-UHFFFAOYSA-N 433.824 0.976 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2COc3ccccc3O2)CC1 735117061 NEQKEQDFQOIZBI-MRXNPFEDSA-N 433.490 0.301 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741206392 CSSDYXNIJRXURP-UHFFFAOYSA-N 434.493 0.909 50 20 ICGD CC[C@@H](OC)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 744313969 WTQUQHVRULKMNX-HUUCEWRRSA-N 443.522 0.525 50 20 ICGD O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745782149 ZNNACYOTYXDRRL-UHFFFAOYSA-N 443.416 0.917 50 20 ICGD Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 745866500 BSFGYJRKQDTDIV-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD Cc1nc(C)c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 746100342 FTTWLCLFMLBHHY-UHFFFAOYSA-N 436.490 0.706 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl 749562063 VAVNZSUXOYWFSJ-GFCCVEGCSA-N 428.898 0.397 50 20 ICGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749784673 BRPANCZFPFFFAC-LBPRGKRZSA-N 436.490 0.877 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ccc(C(F)(F)F)nn2)c1 755189893 XZAXSYLCHNMNDW-UHFFFAOYSA-N 448.427 0.831 50 20 ICGD CC1(Cn2cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)nn2)COC1 758826930 QBTYTRNGKDOCKM-UHFFFAOYSA-N 427.509 0.288 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440544 ZSRQLLLOTJMSGU-STQMWFEESA-N 439.513 0.795 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763658380 WIHVYGBEJUCSND-AWEZNQCLSA-N 426.429 0.464 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1 763661224 MAMAJACGFQXWBM-AWEZNQCLSA-N 426.429 0.464 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 763665991 SFDUAUAFBPCCCL-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 763806861 FWUKMJPZNAFJCD-UHFFFAOYSA-N 436.428 0.643 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763809166 RZEFUENFHOVEHG-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c(OC)n1 763877443 JOIASQQFOICMRK-LBPRGKRZSA-N 430.417 0.855 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)C1 763979643 PQABISLZANAQRQ-CYBMUJFWSA-N 433.490 0.835 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763998054 FGZIMYFXGJZDKZ-UHFFFAOYSA-N 448.379 0.727 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764264634 WJOUUXABUZPFCN-UHFFFAOYSA-N 447.517 0.735 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764524203 NQJUNZJRGCOEJW-UHFFFAOYSA-N 440.504 0.749 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 767493441 POCBGMSFVNYRHU-INIZCTEOSA-N 446.460 0.888 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2)NC(=O)NC1=O 768927924 CPTCYBUPYSVUJD-OAQYLSRUSA-N 434.412 0.707 50 20 ICGD CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc(Br)s1 770241181 WMFUKMIACJSIEH-UHFFFAOYSA-N 447.427 0.647 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 771734828 IZRSTYLEPLIJBK-UHFFFAOYSA-N 442.505 0.560 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897519 JXBLKVGCVJFUSL-DOTOQJQBSA-N 449.939 0.436 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 774008626 JULORBXQOOSIKQ-SNVBAGLBSA-N 440.865 0.541 50 20 ICGD CS(=O)(=O)C[C@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 774279028 ZMLBYQDYARGRLK-KRWDZBQOSA-N 446.533 0.809 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N)c(Br)n2)n1 775085089 WKZDDAJPNOWUMT-UHFFFAOYSA-N 428.268 0.738 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)o1 776272110 NYTAJMZACREQBY-UHFFFAOYSA-N 443.503 0.541 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc(OC)c1 783264377 ODWQCWJRBVYDIX-UHFFFAOYSA-N 437.478 0.867 50 20 ICGD CC(=O)N[C@@H](CC(C)C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 783589606 NRLFGUIAAYGMHQ-SFHVURJKSA-N 425.555 0.617 50 20 ICGD Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784001839 FAGWDIMMJAUPNQ-UHFFFAOYSA-N 441.444 0.340 50 20 ICGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001948 GVQNTOPMNKNTFH-UHFFFAOYSA-N 430.417 0.246 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1 793022313 VFNAMYQXCSJACF-UHFFFAOYSA-N 445.863 0.226 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 798835811 TUFVLNPHSSQFDE-SFHVURJKSA-N 435.444 0.737 50 20 ICGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 802024883 XVPVTYDUVZMPCJ-UHFFFAOYSA-N 427.870 0.548 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)cc1OC 802036036 PLZOWMWBPIAQGM-OAHLLOKOSA-N 427.461 0.765 50 20 ICGD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)cn1 802566678 ZZOKKLYFEQDVTM-OAHLLOKOSA-N 446.485 0.586 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NOC/C=C/Cl 812706726 YABSNIWMDYNKRK-UNXLUWIOSA-N 446.913 0.655 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(C)c12 914687946 IJWVURBJQVRWMJ-MRXNPFEDSA-N 425.445 0.798 50 20 ICGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915594133 HSEQCXAYSFXVBT-UHFFFAOYSA-N 436.490 0.161 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 916031298 DIDZFGPXXNWZBD-UHFFFAOYSA-N 436.490 0.440 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O 916294536 BHGJDJXUIROKON-UHFFFAOYSA-N 444.473 0.500 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3Cc4ccccc4O3)nc2)CC1 916516437 ZQKYDMKXZYWRHH-INIZCTEOSA-N 446.533 0.648 50 20 ICGD CCCC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 917981499 IUMJWKZOGGFUFC-RHSMWYFYSA-N 433.461 0.556 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)C1 918549524 KNKBKNZEGOLXEC-LBPRGKRZSA-N 429.495 0.535 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 918779427 SOAXCPDAYFSEMF-HZPDHXFCSA-N 439.538 0.321 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1O 919755698 UYAYQJPCQPXGET-AWEZNQCLSA-N 449.485 0.933 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N[C@@H]1CCS(=O)(=O)C1 919887968 JUGLJTCQCTXNOI-BXKDBHETSA-N 449.316 0.864 50 20 ICGD COc1ccc(OC)c(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 921182116 FBSOOQQKYIOLPP-SFHVURJKSA-N 430.413 0.777 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccccc2CS(C)(=O)=O)c2ccccc2c1=O 1319073938 WLPNFHLCEQRPQK-UHFFFAOYSA-N 443.485 0.622 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cncn1-c1ccccc1 1319178864 AVUYMIXUOPEGNU-UHFFFAOYSA-N 448.487 0.552 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782178682 OWQNSJIHSSPKHB-RDTXWAMCSA-N 437.840 0.514 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc2c[nH]nc12 1782256439 DCGJCFRSGJMURJ-QHCPKHFHSA-N 448.288 0.308 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1783746318 CAMVTQSNNNGBJN-HJWJTTGWSA-N 444.937 0.283 50 20 ICGD CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N(CC)CC 1784627341 LNEWITSYXNCCGF-WJMWBRGCSA-N 445.369 0.080 50 20 ICGD O=C(CCc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785413862 AVVKPBUAKOGYRI-VDGAXYAQSA-N 442.346 0.654 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccc4[nH]3)[C@H]2C1 1787839370 WSDGBSMQYVFVMA-MPGHIAIKSA-N 442.520 0.529 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640086 WIYYFNJZPRUJCQ-ZOFXXKQRSA-N 432.901 0.478 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2ncccc2[nH]1 1790335497 NICYDLWVIQWLGG-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1790963667 JPWYTZPGQCGUAN-FQUUOJAGSA-N 439.372 0.574 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C[C@@H]21 1791257437 GPOCGBJELXLSGX-COZGXFGHSA-N 442.940 0.975 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110286 GIXFAZLTYMAJGM-LOUJCGABSA-N 433.892 0.911 50 20 ICGD O=C(/C=C/c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795753849 NPRZZHYUIARZQJ-DFBIAFCQSA-N 426.303 0.345 50 20 ICGD O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795847808 XUKYHEUOXRRUDH-DRXBFXEBSA-N 428.283 0.384 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c12 1796143583 DPHFVGPJLSELDK-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 1796440998 IVJKDXDLDZLDNS-OBAMXFLESA-N 439.476 0.122 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797864291 GTKPMAJEMSYEON-AYDFFVQHSA-N 437.928 0.450 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1799268040 IQQVYPFQPPFACE-SVZOTFJBSA-N 447.960 0.869 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)no1 1799347223 JGKPKQTUGBICAU-ANGCBRKESA-N 447.261 0.592 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800638971 FNTWYSKSFGUUCS-QCMRWSPLSA-N 429.271 0.265 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105224 FMEQIURFHQPWNF-DRXBFXEBSA-N 445.639 0.288 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCC=CO2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360269 JQHCDXSOFAXXDG-CEWLAPEOSA-N 435.289 0.774 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362628 LVSQIWODCLWCMX-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362797 WLGMNEWZDBKAKX-PBEJRMEISA-N 439.321 0.895 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccns2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369401 IQYHGSIMZIHZTJ-VQIMIIECSA-N 436.302 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cn[nH]c2)[C@@H]1c1cccnc1 1808607210 LPIMPGVRQGBCOC-KSSFIOAISA-N 434.460 0.437 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820783362 RYTYCGJOAVESOL-KBMXLJTQSA-N 426.949 0.637 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768769 XOIHQMOEHVMMPD-HOTGVXAUSA-N 425.913 0.521 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1830362338 RFAUXSWTSKJYIX-INIZCTEOSA-N 444.834 0.813 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364408 IZZBPGUPHKOBDR-HNAYVOBHSA-N 427.933 0.636 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830397493 KJFRBOANPBYNCE-PMACEKPBSA-N 441.337 0.221 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)o1 1830538725 OANJZOPKRCDXKX-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD O=C(/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccs1 1830727888 JPZQIOXVTKPOCT-LNFBDUAVSA-N 442.921 0.543 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728410 SVYHFZYKJXBQKV-LIRRHRJNSA-N 429.901 0.605 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830736976 CATIOJCSJZKRCB-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831816291 UFTCRYWXURYFRB-KPZWWZAWSA-N 443.342 0.890 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871294 REATWNXCLAXTIP-QGZVFWFLSA-N 444.598 0.414 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832293366 NEYCZLBGYPNCFM-ZBFHGGJFSA-N 438.294 0.002 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cccc1=O 1833873338 VJAMSONAWVPZLY-WMLDXEAASA-N 446.273 0.146 50 20 ICGD N[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cccnc1 1834761591 GTKIMICKPPDYRV-RTBURBONSA-N 437.972 0.643 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413715 KZDIOSKTXGFVHA-KSSFIOAISA-N 446.342 0.239 50 20 ICGD O=C(c1cccc2cnccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837029799 DITFWMASIFKBHD-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837394944 LYBULHRAOPBRPP-KBXCAEBGSA-N 433.343 0.801 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709023 SSGSGCKEVQTJBB-FXAWDEMLSA-N 427.618 0.779 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311573 ZLWXUUPACVDUFD-BZNIZROVSA-N 449.733 0.927 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839306269 WRJGSDUIUZAATN-AUUYWEPGSA-N 430.860 0.855 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839963069 ZBXMUCVFEVATCE-IIDMSEBBSA-N 431.327 0.655 50 20 ICGD O=C(COc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839968147 RYQJYNZDKOIMHF-DNVCBOLYSA-N 430.860 0.261 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036799 RFGJRBKDDOMSGM-XUJVJEKNSA-N 427.723 0.480 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840149107 DSXUTXISLCOAKD-SJKOYZFVSA-N 431.829 0.512 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150155 GOOMJMXWZVOHKT-BEFAXECRSA-N 433.933 0.003 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1840183878 GIKCTPLDOYGUIZ-FQEVSTJZSA-N 438.550 0.120 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466757 VWVIYUBSINEIEL-MAUKXSAKSA-N 443.342 0.593 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CN2CCc3sccc3C2)C1 1841934981 SOFRIYWRXOOYPL-UHFFFAOYSA-N 439.346 0.303 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2 1843325676 UYNWTTOSHQRHMA-AWEZNQCLSA-N 429.590 0.927 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c(F)c(C)nn1C)C2 1843415342 AWEZDMGPSVGOIS-YDZHTSKRSA-N 429.456 0.819 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccncn2)C1)NC(=O)NCc1ccccc1 1843470970 AGYCQJWMZYPKDS-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD COc1cc(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)CC2)ncn1 1847559289 QEPQYXBHSNKKHZ-JYJNAYRXSA-N 437.928 0.503 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 18994615 JJBMQOYOTJPWTE-UHFFFAOYSA-N 441.535 0.445 50 20 ICGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cc(Br)c[nH]1 24122185 SCVSCLIUHRQMBW-UHFFFAOYSA-N 426.252 0.277 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710632 KASGUNRMKROWDV-UHFFFAOYSA-N 425.493 0.479 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889488 KUTCJHHUMUCJPG-UHFFFAOYSA-N 449.471 0.112 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 729962589 BEHQSSVIVYNTLE-CQSZACIVSA-N 447.469 0.772 50 20 ICGD COc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OCC(N)=O 730553508 ZOOICBZKMJOUND-UHFFFAOYSA-N 425.405 0.308 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 731989813 WCXCXIJCTXQQKM-UHFFFAOYSA-N 438.535 0.466 50 20 ICGD COCCN(Cc1ccc2c(c1)OCO2)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 732236125 QBXNWOQDHKUVLM-UHFFFAOYSA-N 439.432 0.894 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732473797 BLMIDDYGOWEOTD-AWEZNQCLSA-N 444.510 0.136 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474849 XJYOANPMKOGCQV-HNNXBMFYSA-N 428.511 0.057 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc1OC 734239087 GMQFMXHIOVEITR-UHFFFAOYSA-N 445.498 0.072 50 20 ICGD NC(=O)CSCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 735648555 FCNAWYGWJLEYBL-UHFFFAOYSA-N 428.517 0.528 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1)c1csc(N2CCOCC2)n1 742231779 WPDPMNBTJVCQBJ-UHFFFAOYSA-N 430.439 0.440 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)N1CCOCC1 745995983 GPNPOALUMROABO-AWEZNQCLSA-N 425.467 0.519 50 20 ICGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 746219747 WRLLNUXQBYQILB-CQSZACIVSA-N 445.484 0.681 50 20 ICGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 746327760 DVGOEZKJNNHTPL-UHFFFAOYSA-N 427.527 0.108 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659502 HDFSXCNZWLSOOJ-UHFFFAOYSA-N 447.926 0.870 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N(C)C 753035002 OFNRCZFSUKNWHC-CYBMUJFWSA-N 425.511 0.282 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(S(C)(=O)=O)cc1 753276459 JMZRVQGJIUBTQK-GFCCVEGCSA-N 428.470 0.902 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755451946 LUMFUNJQZJIPMT-GFCCVEGCSA-N 432.524 0.303 50 20 ICGD Cn1c(=O)oc2c(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cccc21 757038933 IBXUPUJXSNWWJG-UHFFFAOYSA-N 432.458 0.909 50 20 ICGD Cc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 757644654 JSYSLPHDGHFPMN-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD CC(C)Oc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)ccn1 760125960 UFUXFBQMTVBOCM-UHFFFAOYSA-N 434.522 0.957 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n1 760276209 ACYSKAZGVHUOJZ-ZDUSSCGKSA-N 441.423 0.972 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)Cc1cccnc1 762190023 JJPRMGABYKPSHP-UHFFFAOYSA-N 433.534 0.624 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNc3nccc(N4CCOCC4)n3)c(C)c12 762860103 DHJXUEWETDUULL-UHFFFAOYSA-N 426.481 0.581 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 763773705 ZSFAIKPQTKYPMX-JTQLQIEISA-N 428.401 0.823 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763812703 HVJYZQZHGSEANQ-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1-n1cnnn1 763865716 RWQHOSMIKKJDKO-UHFFFAOYSA-N 434.416 0.481 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cc1C(N)=O 764059380 TVIMWUQVKJTGOR-UHFFFAOYSA-N 436.222 0.351 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764167022 HLXGRERIYRNDTM-OAHLLOKOSA-N 428.470 0.744 50 20 ICGD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764228264 WVLBAMCTQDLSQR-MRVPVSSYSA-N 440.400 0.128 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 764316684 CTTWBHDZORSLNB-UHFFFAOYSA-N 426.495 0.230 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 764325865 VAPWBJUHYXIZAJ-UHFFFAOYSA-N 428.511 0.456 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 764342225 DWGQUAMFIAZNGH-UHFFFAOYSA-N 433.350 0.872 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cn1 764358259 ADLWOAKZSXJDPM-UHFFFAOYSA-N 425.493 0.352 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 764426468 UXFPJPUBBLQSOC-JTQLQIEISA-N 425.291 0.391 50 20 ICGD C=CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764812312 IRZYWXWVMHTNFB-UHFFFAOYSA-N 426.433 0.157 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3sccc3-n3cnnn3)CC2)cc1 766647871 FQRVCFUDMOCWQG-UHFFFAOYSA-N 440.533 0.611 50 20 ICGD N#Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 778544945 MTGPMOUSFCVYJO-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD CCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 784002921 XDNGULUXWDRVRJ-UHFFFAOYSA-N 427.417 0.095 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799671284 WJJGOIFEQPOBPG-UHFFFAOYSA-N 444.416 0.358 50 20 ICGD CS(=O)(=O)NC1CC(NC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 802421959 FCGJBFCLTJBFLF-UHFFFAOYSA-N 430.430 0.686 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1 806748318 NBNRURYQMDCECV-ZDUSSCGKSA-N 429.433 0.856 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C)c(F)c3)c2)nn1 812982118 PYEOYKZBTGRMLI-UHFFFAOYSA-N 440.391 0.901 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 913429501 BYURRUHGHPTHBQ-QFIPXVFZSA-N 437.456 0.648 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)OCC(=O)NNC(=O)c3cccs3)cc(C3CC3)nc21 914643155 IFRWCXAMIIXMIX-UHFFFAOYSA-N 443.441 0.591 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)o1 915059542 BFJSGMFPLYTOBG-UHFFFAOYSA-N 433.446 0.553 50 20 ICGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 918085453 WXIUVCUBCBFBIY-AWEZNQCLSA-N 441.554 0.966 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 918717144 KRBVZFWLKICWKX-UHFFFAOYSA-N 438.517 0.586 50 20 ICGD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884722 KSSFPDZWFWCYDQ-MFKMUULPSA-N 432.499 0.403 50 20 ICGD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886782 UXNXQDZHWMOPHI-PSASIEDQSA-N 438.275 0.873 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCN(c3ccc(F)cc3F)CC2)c(=O)n(C)c1=O 920371655 YIGFHTXHAFLLMW-UHFFFAOYSA-N 438.460 0.622 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778583059 RSBBGSKSVWBEHT-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779029014 QMIWDEUBXORXIW-IBGZPJMESA-N 430.490 0.207 50 20 ICGD CC(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969686 IQFHIZZYJSCZMU-JOCHJYFZSA-N 431.537 0.819 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1782864083 GDXXVXIZDRBFCV-VZLLQYAHSA-N 443.414 0.388 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783341438 CIXMTAYUMGGFRX-MLGOLLRUSA-N 437.356 0.896 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1F 1784095898 ONRHCVJKKSWCFF-DNUAJFIVSA-N 428.888 0.956 50 20 ICGD CC(C)n1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788933994 XSXFWWLDESWGCP-BQFCYCMXSA-N 434.541 0.430 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(=O)N3)CCC2)cc1 1789522521 IOMKEFOBYWGBSP-QGZVFWFLSA-N 436.472 0.711 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791349196 ANAMIBUAJQUVKH-LXFSFDBISA-N 430.343 0.666 50 20 ICGD O=C(CCn1ccnn1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791884516 KHUBPBSBVYTJEJ-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870407 NPAOTJVCZOFOHL-RVMXOQNASA-N 427.299 0.719 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1792889339 NFBXNWLMAQXWMK-WRWGMCAJSA-N 440.324 0.265 50 20 ICGD O=C(CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)Nc1ccccc1 1792934012 LSQMDKDREXYBRX-DOHHPOSVSA-N 437.924 0.985 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792981599 NRCZIWSDVSACDO-IBEHDNSVSA-N 445.944 0.433 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1C 1793794585 YEXHPSOHWKKEPM-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(C)n1 1794769974 YITZNZZNUFNNAW-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sccc1Cl)C2)c1ccc(B(O)O)cc1 1795734749 YTFVWACHDWRGLD-YWVIFJGQSA-N 434.710 0.598 50 20 ICGD COc1ccc2[nH]cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c2n1 1796188641 BRPVSKYIROFNPF-BJWYYQGGSA-N 448.288 0.817 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnsc1C1CC1 1797116879 KKBVMFBEDRZOJK-CLLJXQQHSA-N 441.517 0.980 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc[nH]c2c1 1797409253 GGYXLNFZDMHVRB-HBCWATKFSA-N 449.471 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2 1801011712 XARCVMFVPRQWJN-CWPLJXCYSA-N 440.504 0.206 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801954826 UGLJPNAHVPQKJY-SFNKJDCFSA-N 437.924 0.650 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361663 GXENACSXYJANSO-UGKGYDQZSA-N 447.304 0.437 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363526 MEIPKMTXMRKXCX-FXAWDEMLSA-N 425.294 0.242 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1 1810303607 SUSWDCZJYANTPI-KSSFIOAISA-N 435.444 0.702 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1813030039 CXKCOXAZSHIQJL-WSTZPKSXSA-N 437.972 0.589 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cccn1 1813428617 VJDCPGUUMFRCMW-BLIXFSHQSA-N 441.536 0.918 50 20 ICGD CN1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815343808 PZDMFOGNEFPQBR-HOCLYGCPSA-N 442.350 0.391 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348637 URPIVYHOGOHGOI-DOMZBBRYSA-N 430.339 0.389 50 20 ICGD Cc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1816288291 GPWYNIZIWBLSKN-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477187 ORSXDVFMVVYMGV-IRXDYDNUSA-N 439.281 0.016 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793024 HNCOYOLBNJXTFL-NHYWBVRUSA-N 443.533 0.462 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)CC1 1823843235 LQCHKCNNSAFVSY-QZTJIDSGSA-N 435.569 0.505 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)no1 1825178292 BGFHDXVWMHWHFH-IBGZPJMESA-N 440.309 0.534 50 20 ICGD O=C([C@H](O)c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049601 XBSVSZJJVHMRAJ-TZIWHRDSSA-N 440.305 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(O)nc2O)CC1 1831871557 UIPUHKCUIWWJJF-INIZCTEOSA-N 448.524 0.494 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cn1 1833435724 CDGRHKCZBNPLDS-AUUYWEPGSA-N 442.900 0.199 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833637754 UURKWCUFECKNTI-KDOFPFPSSA-N 449.838 0.353 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cccc1=O 1833873337 VJAMSONAWVPZLY-RHSMWYFYSA-N 446.273 0.146 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834132818 OLLBLIPGEDVTBX-BEFAXECRSA-N 427.885 0.414 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834390008 XAINTEHVXKRYID-PBHICJAKSA-N 429.315 0.513 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCCO3)CC2)CC1)c1cccc(B(O)O)c1 1834800551 LJGPPBLGNIWLJR-NRFANRHFSA-N 443.353 0.121 50 20 ICGD O=C(CN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835378043 MLDKCKDZPAAJAP-WBVHZDCISA-N 436.322 0.619 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930704 VIQBIPLLDGZCPS-OFNKIYASSA-N 442.321 0.205 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993932 NCORDSMMDYYQGJ-UZLBHIALSA-N 425.913 0.712 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1837861684 IRLUWZBDDYCWCD-HNNXBMFYSA-N 448.337 0.515 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068490 XNNZWTJKHQRPBC-DAYGRLMNSA-N 432.359 0.568 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152216 RDFRXPIVYFXNLM-MOPGFXCFSA-N 449.379 0.961 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)CC1 1839155417 SYAAUIMPSMYDPI-IRXDYDNUSA-N 437.320 0.632 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199724 ZYHGGDJYZFGDQK-BBRMVZONSA-N 433.278 0.489 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840031234 JGISUMPAWJHTCK-SJCJKPOMSA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1840151779 NHTFZKNPDWVOAK-BBTUJRGHSA-N 439.940 0.439 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1 1840153938 GFVXUPKNVMFDGU-DNVCBOLYSA-N 429.901 0.485 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840155147 RAAHNQDQKFJYMS-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@H](C)CBr)C2)CC1 1841287405 LFOUEFUMUCGJGN-CQSZACIVSA-N 429.359 0.385 50 20 ICGD COc1nccnc1C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1842219228 GDJWNBXFMODTSL-ZMOGYAJESA-N 425.449 0.436 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CSc2ncccn2)C1 1843073214 XAEYQWXSZKWSFF-UHFFFAOYSA-N 427.490 0.084 50 20 ICGD Cn1c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1C(F)(F)F 1843580584 IXBFWRRLPXJLEH-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc3snnc3c2)C1 1844677512 SIPYHZKGFKBDJE-UHFFFAOYSA-N 438.473 0.216 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@](C)(Cl)CCl)C2 1846561257 IKYUKSSUJBLMLR-RHSMWYFYSA-N 430.336 0.897 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCc2sccc2C1 1848107715 IQZZAOLGMWHKJF-IRXDYDNUSA-N 433.578 0.681 50 20 ICGD Cc1nnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[nH]c1=O 11335362 UWNUERLVQUAFOI-UHFFFAOYSA-N 446.533 0.896 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 728608115 MLTODDLDQSVTNC-UHFFFAOYSA-N 438.550 0.883 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN(C)S(C)(=O)=O)nc2ccccc2c1=O 733266497 XVYGLFDQMJSRRK-UHFFFAOYSA-N 425.511 0.546 50 20 ICGD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 734221164 LNODPJLPLJRKPZ-CABCVRRESA-N 439.538 0.528 50 20 ICGD N#Cc1ccc([C@H](NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(N)=O)cc1 734507034 LEIBXKRKECRMEW-SFHVURJKSA-N 427.486 0.804 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 741945775 IYAWEAKZQWYUBI-UHFFFAOYSA-N 433.486 0.526 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c3cccs3)cc12 742062700 QMQVUEGBPXFGCO-JTQLQIEISA-N 448.530 0.700 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 743731159 WNZWVCZJSBMSPL-CYBMUJFWSA-N 432.462 0.838 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745445090 VHUWLSOUZHRCNO-FBVUGSABSA-N 449.847 0.195 50 20 ICGD O=C(CCOc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 747076425 KKADXKQZGSBZMO-AWEZNQCLSA-N 447.469 0.903 50 20 ICGD COc1ccccc1CC(=O)N1CCC(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 749019203 WVENMLWISNYFKN-HXUWFJFHSA-N 438.550 0.610 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CCc3ccccc3)cc2S1(=O)=O 749803963 NMKRMMVKIDKKAF-UHFFFAOYSA-N 431.470 0.871 50 20 ICGD Cc1oc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC1 751206750 SBTMCIRPCPRDOJ-UHFFFAOYSA-N 440.503 0.625 50 20 ICGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 755121525 UPNFJYYTJPQGNB-UHFFFAOYSA-N 432.458 0.657 50 20 ICGD CC(=O)Nc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C(F)(F)F)c1 755591449 CKXDMTDPJYALFX-ZETCQYMHSA-N 425.389 0.754 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cccc1S(=O)(=O)NC1CC1 756707179 VGGWKMNVFHGRRF-LLVKDONJSA-N 430.508 0.023 50 20 ICGD O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(S(=O)(=O)CBr)CC1 758517212 HZZJXBSJRLIEQP-CYBMUJFWSA-N 436.372 0.994 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc3c(c2)C(=O)NCC3)c1 758683146 ANGAYIKQIAMIAY-UHFFFAOYSA-N 445.501 0.367 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758833931 NEENBJOYTHEGEH-FKIZINRSSA-N 430.465 0.304 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 758861338 NNEDEVJLDXDFKI-UHFFFAOYSA-N 435.418 0.023 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440162 RTXYSPSBDCPSGG-HXPMCKFVSA-N 425.486 0.549 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNc1nccc(N2CCOCC2)n1 762856421 PLGRWFVJFNSLGR-UHFFFAOYSA-N 440.913 0.778 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c(C)o1 763586564 OPHQPSDGJUOOHT-UHFFFAOYSA-N 429.433 0.766 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1 763932501 PUOMXPWGCLFLNM-UHFFFAOYSA-N 438.893 0.919 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)cc2)CC1 764178116 XHVAHDXJWNNPMN-UHFFFAOYSA-N 448.483 0.274 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2c1=O 769158223 ZRTAPWYPAYFIDF-MSOLQXFVSA-N 442.520 0.738 50 20 ICGD CSCCNC(=S)NNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 769765445 LEALNZKLOVZJPI-UHFFFAOYSA-N 433.400 0.630 50 20 ICGD COC(=O)c1csc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771605822 RTBXGICZNLPZTK-UHFFFAOYSA-N 431.879 0.814 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)nc(O)c3)CC2)cc1 777420013 RHPDLTZHJIDBLV-UHFFFAOYSA-N 447.517 0.172 50 20 ICGD CCCn1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 782014485 OEAMRZOSGFDLGT-UHFFFAOYSA-N 448.549 0.369 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](F)C(C)C)c(=O)n2Cc1ccccc1 784335931 DCZUTQWQLJHATG-INIZCTEOSA-N 444.467 0.569 50 20 ICGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 789590650 XAZNYGJGATUJTI-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 798117481 ABYNKAJANVCWEI-YJBOKZPZSA-N 438.554 0.625 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C 798307368 QQNCIAIIHAICFR-CQSZACIVSA-N 443.485 0.628 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCCS1(=O)=O 802068545 KTGRDJFPZQDSSH-CQSZACIVSA-N 432.524 0.303 50 20 ICGD COc1cccnc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306499 OOTDOQUMVXKGHL-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 806974006 PATHPWLVUGYIRF-UHFFFAOYSA-N 448.863 0.881 50 20 ICGD CC1(C)CC(=O)c2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2O1 806975714 LYERSQUWKWKPJY-UHFFFAOYSA-N 449.427 0.806 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978928 JLDCBFHWJYWMNL-CABCVRRESA-N 437.456 0.187 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2c(Br)nnn2C)c2ccccc2c1=O 809932626 AHVJLKVRUJYNPI-UHFFFAOYSA-N 434.254 0.943 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1n[nH]cc1C)c(=O)n2Cc1ccccc1 814745651 CNNNZDDACWACTD-UHFFFAOYSA-N 434.460 0.610 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)[C@@H]1CCc3nncn3C1)=NO2 816881056 YIEUZROHHQGEEB-CYBMUJFWSA-N 447.496 0.534 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 859419262 HRMHLFWZNRUMKH-SFHVURJKSA-N 447.469 0.545 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1OC 879364119 LVMZUJWQJDHTKG-UHFFFAOYSA-N 425.401 0.924 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)=NN1c1ccc(F)cc1 913081364 LDWCPJZROBVKTC-OAHLLOKOSA-N 437.391 0.356 50 20 ICGD COCCN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1=O 914661313 LREODBWFFOKMCS-NSHDSACASA-N 427.841 0.148 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCC(=O)NNC(=O)c3cccs3)c(C)c12 914936805 OJILFVBNVJEJKV-UHFFFAOYSA-N 431.474 0.877 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)N[C@@H]1CCS(=O)(=O)C1 915880238 BSBACMYXYNVOMY-SECBINFHSA-N 447.395 0.728 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2c1=O 933503345 PSAYWTNBULCELP-GJZGRUSLSA-N 425.445 0.353 50 20 ICGD O=C(Cc1csc(NC(=O)c2cccs2)n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321439189 UHDHKBFKJZZVLS-VIFPVBQESA-N 428.517 0.582 50 20 ICGD Cc1ccc2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(Cl)c2c1 1340544166 LYOHEFDKOYVRRU-UHFFFAOYSA-N 443.851 0.338 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1778094407 JAQMWAPMTFQNMM-FZXHUISKSA-N 435.550 0.953 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1781485249 NQQDJMDUTABVMN-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1783934114 YRRYXAQQCIMNFP-OAQYLSRUSA-N 432.525 0.105 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984878 UJGQEGDLCKKTMD-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787627098 PAMAQYPPJFNTSL-NZBPQXDJSA-N 447.305 0.813 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21)[C@@H](F)Br 1789922057 BEYLTIHVCRJSPB-WFGGJUAMSA-N 430.274 0.519 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncoc4c3)C[C@@H]21 1791291598 ZSPGNNMVCRHEGX-BXWFABGCSA-N 443.504 0.794 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1792870805 VJMQHWXTMQEMOC-NJBDSQKTSA-N 441.282 0.409 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncccc1OC 1794033548 VQDJIESIAUITLZ-YGTYGHESSA-N 425.913 0.866 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794357801 RYLLHXZGJIJQTB-MCYUEQNJSA-N 428.283 0.320 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973622 SHGIHLRFAHXXBZ-WZTYKQCMSA-N 444.319 0.066 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CCCCO1)C2 1796439640 UMOKUXBHJJPFPW-LWVZYPGJSA-N 445.520 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 1797753192 WRGRXXARQBVQAU-ZSBFGKGUSA-N 443.891 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CCCO2 1801676984 VCZOTPLKJKEWKK-OPMZPASUSA-N 444.532 0.588 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803142977 PZNIFROTDSHLOR-DTZQCDIJSA-N 425.917 0.395 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803148145 OFQQFOPZLOWJRI-YCPHGPKFSA-N 427.958 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnc1 1805462852 ITGSJNNPHHADAA-RXVVDRJESA-N 430.273 0.790 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1805557767 MCHKJRQSSXQMER-UWJYYQICSA-N 439.520 0.873 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806075334 DYFVFHXZDOBNAX-CRAIPNDOSA-N 431.537 0.937 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCCN1 1808069435 WKQMCSZGBVMVIP-JXHRLWIKSA-N 436.321 0.223 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1c1cccnc1 1810308712 NBPOIAPCCCFNBS-FCEWJHQRSA-N 438.488 0.436 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1812864290 ODGRMYYXYVKLAY-DUVNUKRYSA-N 437.342 0.711 50 20 ICGD Cn1ccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339424 FKDRLKKCLFNXEH-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477027 WDKKLCOYVZOHCJ-GOSISDBHSA-N 449.276 0.408 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)o1 1817538373 KRTZLNIMNXUSPY-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCCN1 1820818706 ZTTPBJBAPGKJKO-DYESRHJHSA-N 425.298 0.538 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716676 QBRRSTDYQJEYOE-ZYHUDNBSSA-N 429.861 0.199 50 20 ICGD O=C(c1cccc2cccnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728024 NEWXOGIXSZQOAI-UTKZUKDTSA-N 433.892 0.905 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762130 DLTBVRUWAXPEJX-HDMKZQKVSA-N 432.359 0.711 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1830949559 MSPVNSJWMUFZAK-SFHVURJKSA-N 443.342 0.512 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)CC1 1831416109 OGHGZSAUVCKQSX-MAUKXSAKSA-N 442.520 0.055 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1831651009 POMFJXITRAKGQV-QEJZJMRPSA-N 431.375 0.982 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(Cl)nn3)CC2)CC1)[C@@H](O)CCl 1833312684 XFLDFMLOZHPFBK-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836466 NBCAYTXOUKOGGM-YVEFUNNKSA-N 443.298 0.426 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)no1 1834250374 LGQPATLXSNIQAC-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cccc1=O 1834819234 KYOQTMQMPDBPNS-SFHVURJKSA-N 442.310 0.240 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836162493 VUJSUONCHHMXME-KSSFIOAISA-N 426.311 0.864 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051363 XJPZONNSCXOMRW-CIBFVHANSA-N 431.327 0.794 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840151411 AOEZDNNZFDANOG-UWVAXJGDSA-N 426.897 0.430 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840153428 OJUYZOCFXGKBCN-KXBFYZLASA-N 426.901 0.153 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840153491 PTXDXRFJEDLWTL-UTKZUKDTSA-N 442.940 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840156664 SAVMCAICADPRPZ-OXJNMPFZSA-N 444.887 0.642 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1842164121 DKUZVFFXJDVRNZ-UHFFFAOYSA-N 437.460 0.169 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(C(F)(F)F)n1 1844464039 DAAQUXUVLFZYGI-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1F 1846800933 VSTIHPDVFNVGAV-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 9203751 COKVHXMKIXEGPG-OAHLLOKOSA-N 445.428 0.952 50 20 ICGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 13082411 GVZRLWWXNJROMA-UHFFFAOYSA-N 426.433 0.594 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cn1C 726767152 FXJFKIRUNUMVGK-UHFFFAOYSA-N 437.522 0.893 50 20 ICGD C[C@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728340902 QSBIGJWUWSWPBF-KSSFIOAISA-N 447.488 0.992 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 728956986 FOYOMKIIQLNKRE-UHFFFAOYSA-N 428.474 0.132 50 20 ICGD O=C(NNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 729171101 LMEFQBRIIXKYDW-AAEUAGOBSA-N 431.923 0.437 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 732576093 OKWAKVHWTSZHOD-AWEZNQCLSA-N 445.501 0.412 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)C(C)(C)C 733336219 ONXSQEDGZNVCAY-UHFFFAOYSA-N 433.556 0.445 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)NC1CCCC1 744059522 PJWIEEFPBOLFAU-UHFFFAOYSA-N 426.495 0.603 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O 745998020 HWQGZZNQQACACF-UHFFFAOYSA-N 449.345 0.896 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)c1 747438013 NLBMNUYLVLNTBW-UHFFFAOYSA-N 428.492 0.688 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccnc3-n3cccn3)cc2)CC1 748621249 YZKHRBXDKHYXOD-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1ccc(-n2cnnn2)cc1 751293855 CWCGHIKPISGPHP-UHFFFAOYSA-N 444.337 0.732 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)o1 752781714 XSHDVKOENSTBMK-AWEZNQCLSA-N 443.503 0.131 50 20 ICGD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 755168352 YHLZBFNJKKHMRW-QGZVFWFLSA-N 439.520 0.855 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1OC 756050388 XSRZQPCYXNXUML-MRXNPFEDSA-N 447.536 0.093 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1=O 757781664 UCEYJGACVPIPRJ-UHFFFAOYSA-N 436.446 0.131 50 20 ICGD O=C(c1ccc(Cn2cncn2)cc1)N1CCN(S(=O)(=O)CBr)CC1 758526187 AGOZPBVLMWIGQX-UHFFFAOYSA-N 428.312 0.766 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758781001 VSXOSWAWMJEOCH-OAHLLOKOSA-N 426.433 0.160 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c1C 763449250 AXZLHYRBSSAORA-UHFFFAOYSA-N 441.469 0.899 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763575084 PTSCUXNEDRVGHF-INIZCTEOSA-N 447.469 0.795 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cn1 763622968 ALIOTBWWUVHGJT-UHFFFAOYSA-N 431.449 0.655 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1 763736142 MZAYALHECRCKPX-UHFFFAOYSA-N 446.485 0.337 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2c1=O 763790546 KHYGZDXORCMBSM-UHFFFAOYSA-N 444.791 0.895 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2NC1=O 763995067 LKCNJZRVHSVUMR-ZETCQYMHSA-N 436.222 0.896 50 20 ICGD CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001808 FEGDTZACAYFINI-NSHDSACASA-N 447.897 0.276 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1F 764069409 CBGOEFVAMBERRC-NSHDSACASA-N 436.440 0.783 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ncccc2C)c2ccccc2O1 764385585 CQSMFHGMBGUIHA-INIZCTEOSA-N 425.445 0.471 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 764397386 IBLPFBPMSBFRPA-SNVBAGLBSA-N 427.479 0.551 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3F)cn2)CCN1 764412059 DRLBNGQXOJGJSU-UHFFFAOYSA-N 434.815 0.210 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CC[C@H](C)C2 764426397 ULFHCYVPPQAEGN-CMPLNLGQSA-N 439.490 0.551 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(I)c1 765700713 ZTAREWBPMVEFDZ-UHFFFAOYSA-N 443.201 0.731 50 20 ICGD COc1ccc(OCCS(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771608494 SWTSCENZFHMXFI-UHFFFAOYSA-N 441.893 0.994 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 771852519 YBKIINRNUQVROC-MCIONIFRSA-N 441.506 0.587 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC(C)(C)CCCO)nc2)CC1 772615463 AFIXTWMBOVGPHY-UHFFFAOYSA-N 428.559 0.443 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2F)CC1 776885147 DUHXWRKQENWIOV-UHFFFAOYSA-N 430.502 0.985 50 20 ICGD O=C(C[C@@H](C(=O)NN=Cc1ccc(F)nc1)N1CCOCC1)NN=Cc1ccc(F)nc1 777438361 VRWCGWGCDWAOBZ-INIZCTEOSA-N 445.430 0.446 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)cc2)CC1 782834407 VALSMMAZQYAEKS-UHFFFAOYSA-N 425.489 0.929 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(F)c3)cn2)CC1 783039799 NIBPNTCSCFWTFK-UHFFFAOYSA-N 436.469 0.384 50 20 ICGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNc1cccnn1 784858776 VTSOZAIHNVORJM-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 785235769 ROZYFHHRESKMFI-UHFFFAOYSA-N 434.464 0.916 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 790762904 CIDWOJMWUVPXTB-UHFFFAOYSA-N 430.486 0.938 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1OCCCC(=O)O 793446895 JKWQXLURVSBADZ-ZDUSSCGKSA-N 437.478 0.402 50 20 ICGD Cc1cncc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 794201338 SZADIKVIBWAWGW-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c2ccccc2c1=O 794774885 IMTNYELUMFEXKD-AWEZNQCLSA-N 426.454 0.656 50 20 ICGD Cn1c(NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)nc2ccccc2c1=O 796443433 WIDPXGDDFPCXEG-UHFFFAOYSA-N 427.446 0.231 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 800984745 ZKZJBHVMVFIXBU-OIKLOGQESA-N 449.327 0.627 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802099938 FKNHVRCXAGWDNC-LLVKDONJSA-N 431.430 0.807 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(=O)c1ccc(Br)cc1 806787747 MOEAXCVHXMFCMQ-SNVBAGLBSA-N 434.312 0.887 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1OC 810385892 DEFFROAMQUVNMD-UHFFFAOYSA-N 428.401 0.825 50 20 ICGD O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 812906747 KEYZEOQHSFQIPV-UHFFFAOYSA-N 427.373 0.742 50 20 ICGD COCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1F 814877232 KTICOMJRUIYQFP-UHFFFAOYSA-N 436.831 0.393 50 20 ICGD CCOC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc1 815532330 FXSLPAVMPKTYLP-MRXNPFEDSA-N 429.385 0.403 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 915598907 MMWGVHMAMJOZRL-UHFFFAOYSA-N 440.503 0.941 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 916249714 HGLYPPPAIGSPHA-KBPBESRZSA-N 440.570 0.731 50 20 ICGD COCc1cccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 916426258 HTOMDTFRWKQSPD-UHFFFAOYSA-N 448.549 0.990 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916559511 JFSFCLKWYWYJDJ-UHFFFAOYSA-N 447.517 0.235 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)CCSc2ccc(F)cc2)C(=O)NC1=S 920979554 BZDIQDWPDODFSV-JLHYYAGUSA-N 426.495 0.702 50 20 ICGD CS(=O)(=O)Nc1cccc(F)c1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1252793221 JCSBJYSDWJIUCH-MRXNPFEDSA-N 438.437 0.868 50 20 ICGD CCN1CCN(CC(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C(=O)C1=O 1318563026 ASQCNFXNTUSXLE-UHFFFAOYSA-N 437.382 0.691 50 20 ICGD CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CCC[C@H]2C1 1324027575 WBZQWDLPGGFHFB-XKQJLSEDSA-N 426.477 0.525 50 20 ICGD COCCCN1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1338364019 GGVSHDMGAJGBHQ-UHFFFAOYSA-N 426.543 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778433641 HGRLOMHLWFGNQJ-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778885252 IHMCDCSMAQGOPZ-OPAMFIHVSA-N 427.505 0.897 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780010891 QKEDHLCBLQFTJX-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781095311 NEBOSMJZLYJUIC-CKEIUWERSA-N 435.338 0.143 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781227685 PBFVJCZREIZSJH-SJORKVTESA-N 443.291 0.097 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214705 YSENNCSZXUGXHG-NJNPRVFISA-N 448.568 0.406 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783343070 LPEQZHQOSYHZQB-XEZPLFJOSA-N 439.372 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1783932995 OFSZBCFBXVFPDS-JOCHJYFZSA-N 444.532 0.627 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1783933555 QAATYXKQHRBCJL-XMMPIXPASA-N 442.560 0.921 50 20 ICGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CCC1=O 1784975574 IQOBTWXDDANEFA-OBJOEFQTSA-N 429.315 0.359 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)n(C)n1 1785616499 GPANDMJOIJUNQB-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cnc1C 1786980142 NBNUFXMKWPWOLP-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255391 NCWVJVKYWZJLAT-ZJOBFFGXSA-N 437.928 0.627 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788511916 ONOIJOYWIGANPM-IHCJZGQOSA-N 432.334 0.997 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790565897 WBFGFKOSKDGVHQ-TUUVXOQKSA-N 426.901 0.348 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1C[C@@H]1c1ccccc1 1791203579 CTFLCCMQHBIONY-UVVBHOOISA-N 448.328 0.763 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4[nH]3)C[C@@H]21 1791291378 UJZDQKJKXWYJMQ-BQFCYCMXSA-N 442.520 0.529 50 20 ICGD Cc1cc(Cl)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792664941 RTCFXZHPQNKBOF-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792868533 DIRLTCNQIOIVCN-MCYUEQNJSA-N 444.286 0.412 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)C1 1792970275 AYAHRMPVMPULMU-UJOWSUJOSA-N 431.327 0.949 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792980517 QZSQOONWGZPYHU-OXUXUCFPSA-N 448.900 0.032 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)C1 1793101313 ISSZVIXUFOZHQV-NPJQDHAYSA-N 443.504 0.526 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793613221 MUMRSYABIREHPO-XBCDXLOZSA-N 432.304 0.127 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C1CC1)C2)c1cccc(B(O)O)c1 1795737247 KGSZEVDKEHXGDT-SCAQPMJSSA-N 441.318 0.217 50 20 ICGD CCC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1 1795739092 VOADWUNCBVVXQS-KOUHRCEDSA-N 439.321 0.413 50 20 ICGD Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188376 WUWWDSHURZHIEB-REPLKXPHSA-N 425.294 0.856 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796309911 ULSVOYHJWACFLF-QRJUGERDSA-N 442.944 0.236 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)C(=O)O 1796791937 RRKCVAOVNGKCMX-PNEZKNQNSA-N 439.419 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1Cl)C2 1797748028 DFXKCQGQBXEVIL-DRXBFXEBSA-N 444.879 0.251 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cnccn1 1797767717 YRUNAHXAVLIPTO-AQDIXCGQSA-N 440.342 0.898 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797767719 YRUNAHXAVLIPTO-IPVBOJNNSA-N 440.342 0.898 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443571 JLUKPMZJBXGWOH-JONQDZQNSA-N 438.488 0.799 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1=C2c3ccccc3C(=O)N2CC1 1798448168 PKPRMSKFVSNRRX-JGTCGTHISA-N 445.903 0.447 50 20 ICGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)nn1 1799348585 LEQQUCVAOMCXCE-LYIQGSDWSA-N 432.294 0.927 50 20 ICGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1Cl 1801013427 VZYCIOCBHICTMZ-DPIQGUFMSA-N 440.932 0.202 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802247389 URFRKXOIEJREKT-IVDHNXQLSA-N 440.305 0.374 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802985559 GMWHLTXVTAAUKH-LVQVYYBASA-N 425.493 0.470 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804089879 MSQQAXUDZIESGV-KXBFYZLASA-N 447.568 0.491 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1 1804362146 IMQTVABWKZKZQA-REPLKXPHSA-N 443.548 0.736 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cnn1C 1805924602 HJEBPHDRZXCWBJ-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369571 OUCFAAISDKHSTD-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376642 VLZILIGEWLHHLZ-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@H]2c2cccnc2)O1 1808648979 GFXUGWXMUDJWJW-XQHKEYJVSA-N 429.246 0.886 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1 1809972684 MYMZUYYVSAZWKZ-SFHVURJKSA-N 438.337 0.977 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1 1818111731 DKOSIOVHHCZGOD-VXHUXDJESA-N 438.452 0.968 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1CCCC1)CC2 1826091986 IHHSTZBUPRZJFK-AWEZNQCLSA-N 436.582 0.914 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827010251 HZXBHRSMKGNFBM-VFADXPBXSA-N 449.301 0.552 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)CC1 1828806110 JFTIBICEWUGKTB-MRXNPFEDSA-N 448.572 0.312 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1830534059 WAKJURLWWFNAHI-MDZRGWNJSA-N 446.386 0.958 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1830545574 KYAVKTUSMJBNSY-PQHDGLIZSA-N 431.327 0.366 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733037 ZSOWHHAYRAMRBU-VQIMIIECSA-N 432.851 0.563 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc21 1830735991 OUAQUPNGHGAXKV-WIYYLYMNSA-N 436.892 0.485 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833069000 ULEGQYNTEHBJPD-YLJYHZDGSA-N 443.928 0.934 50 20 ICGD CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833149282 ATAYZKPXQNCZPX-UHFFFAOYSA-N 441.536 0.420 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(N2CCC(NC(=O)C34CC(F)(C3)C4)CC2)CC1 1833515518 FDKBTSHIUWPWDG-UHFFFAOYSA-N 443.328 0.444 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834586165 CTHZJULFNTXCRJ-CZUORRHYSA-N 443.386 0.868 50 20 ICGD N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)c1ccccn1 1835699937 SKFMOLOZNXRGDT-SJLPKXTDSA-N 441.326 0.323 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718162 IDZZIXHOEOWSBF-GOSISDBHSA-N 435.912 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836908941 MZNNFVSELNVMMU-JLTOFOAXSA-N 436.896 0.887 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714401 DFDBQSGRLSAZSW-FQEVSTJZSA-N 438.601 0.877 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838081094 FTQLMOLVHNMLBB-AWEZNQCLSA-N 442.900 0.754 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838570650 HECSEXZEJNRRME-YLJYHZDGSA-N 439.871 0.977 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839446874 WYSFXDUENAPXKB-SFHVURJKSA-N 443.294 0.953 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc2C1 1839621862 WNTYHZRKBQKZPM-LPHOPBHVSA-N 443.907 0.323 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710369 CAVQHMHXXFXZEP-JKIFEVAISA-N 444.330 0.469 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840032451 YZQRFWGQNZXJPT-QOKNQOGYSA-N 441.322 0.960 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840035289 MGZJOWMWPNXKQK-SCLBCKFNSA-N 441.326 0.683 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184767 BBRPUXFFOZWXKD-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc3ccc(F)cn13)C2 1844265016 KVMYBFCNQDONDU-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 727350294 JBUBBIZPGAIAAG-UHFFFAOYSA-N 438.469 0.802 50 20 ICGD CNC(=O)CCN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 729368507 IPQKTDHYZXBBPW-VBKFSLOCSA-N 438.488 0.936 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 729513042 TWAMKGUCBDPGES-INIZCTEOSA-N 447.459 0.627 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 729691787 SCLJUXKHWIVNLH-UHFFFAOYSA-N 430.486 0.715 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)CCc2ccco2)c1 730024762 DRTMDBZZTHNDFB-GFCCVEGCSA-N 437.478 0.478 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 731853226 UUEZHJCKMTXGBS-UHFFFAOYSA-N 435.384 0.746 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O 732049670 YSCCLTLQLKVUJU-UHFFFAOYSA-N 433.490 0.513 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)C[C@H](C)O1 732262457 TUKUBLQAPUJXLW-RYUDHWBXSA-N 441.414 0.941 50 20 ICGD CCN(C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)[C@@H](C)CS(=O)(=O)CC 733347171 PAFHSCXIXBWFCU-AWEZNQCLSA-N 426.543 0.579 50 20 ICGD CN(C)c1nccc(NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 740108315 VXMPQTKQXWTWPW-ZDUSSCGKSA-N 449.493 0.995 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CN(Cc2ccccc2)CCO1 741280387 YJGACPPVQUFIEV-MAUKXSAKSA-N 429.477 0.629 50 20 ICGD O=C(COC(=O)[C@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1cccc([N+](=O)[O-])c1 741385634 SOFGEZANDPZOJE-GOSISDBHSA-N 442.428 0.800 50 20 ICGD C[C@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)/N=C1/NS(=O)(=O)c2ccccc21 742462932 IVONGZMWBZRODT-LLVKDONJSA-N 431.430 0.873 50 20 ICGD COc1ccc(N2CCN(CCNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 743363287 QRMYLGUAPJCLQE-LJQANCHMSA-N 425.555 0.198 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O 745692984 AUFHNQCKRXMPAF-BONVTDFDSA-N 443.884 0.565 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 746549586 AYOWVGBPDFSMKT-UHFFFAOYSA-N 449.514 0.420 50 20 ICGD COc1csc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 746813550 QSVNAZDTSYKSSQ-UHFFFAOYSA-N 425.488 0.852 50 20 ICGD O=C(NCCNC(=O)c1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 748457409 PNCBUKQWNNVTJM-UHFFFAOYSA-N 426.271 0.132 50 20 ICGD O=C(CN1CCCC1=O)NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 750934579 FTRDBEZQKKITAY-UHFFFAOYSA-N 447.249 0.822 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 751207553 YZENVSURUQBEKN-UHFFFAOYSA-N 448.501 0.891 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc3ccccc3O1)OCO2 753840007 NJRDRSUFKWWLCX-INIZCTEOSA-N 443.368 0.128 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1cccnc1N1CCOCC1 756186029 FMWNXILRABNLKS-UHFFFAOYSA-N 426.481 0.778 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756548966 MGKGZKAVFQSMNF-UHFFFAOYSA-N 432.506 0.938 50 20 ICGD Cc1nc2ccnn2c(C)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 760590251 MVKZAWLRXFCOFH-HNNXBMFYSA-N 425.401 0.490 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ncc(F)cn3)CC2)o1 760907101 XLUPFJSLUYNNPB-UHFFFAOYSA-N 441.441 0.929 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccc(F)cc2)n1 763916719 JTYKGAMUXCFZJG-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 763922189 UAEWIHWYKSXSJC-CQSZACIVSA-N 445.443 0.868 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cnccn2)c2ccccc2O1 764024583 NKTLMLFMOAJBCP-KRWDZBQOSA-N 440.460 0.337 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC(F)(F)F 764117882 YFTBTNWVDKNMKA-UHFFFAOYSA-N 440.400 0.374 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764353486 IMMWSGCOAFEOBE-UHFFFAOYSA-N 433.490 0.952 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 764433040 LBPQPNFWXVHMIG-ZOKDDAQRSA-N 431.470 0.496 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1OC 764480826 WFPRGKFUEVBHAJ-SJLPKXTDSA-N 433.553 0.423 50 20 ICGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 765754144 JNPVPBLWIIJFCF-INIZCTEOSA-N 436.944 0.396 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 766272366 UHUGFIMFPHIVOG-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 767034929 ZTACNSGYBCCIAC-NEPJUHHUSA-N 445.401 0.457 50 20 ICGD O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cs1 768891766 LYMIVXBRRHYKAP-UHFFFAOYSA-N 434.315 0.645 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC#N)c(=O)n2Cc1ccccc1 772014858 ZOQFAOQOJCWCAF-UHFFFAOYSA-N 437.460 0.125 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)n2)cc1 772885222 WKGGEDNIGAJSQC-UHFFFAOYSA-N 427.852 0.766 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 780711110 HDPCAZUXXHDHMQ-VOMSXAGXSA-N 446.551 0.073 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782893095 HPNVIZKFYKKECW-UHFFFAOYSA-N 441.444 0.928 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)nc2ccccc21 782895300 ZXZDBUJYOOVIAO-UHFFFAOYSA-N 432.444 0.542 50 20 ICGD CSC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 789284726 LPVNVRJCWIJGKE-UHFFFAOYSA-N 428.536 0.547 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCc2nncn2C1 793448428 SLYAMPQDSCJSRB-MRVPVSSYSA-N 434.356 0.777 50 20 ICGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)COc2ccc(Br)cc2)C1 801067975 JQNDFZAUIDBGDQ-UHFFFAOYSA-N 435.300 0.239 50 20 ICGD COc1cc(OC)c(OC)cc1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 807136014 VRBBPBZPHPCORO-UHFFFAOYSA-N 427.421 0.832 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1N1CCCCC1 815691323 MIJNMQUXCWQEIL-CYBMUJFWSA-N 429.456 0.756 50 20 ICGD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779353 BWKCTDHMUAPCHU-QGZVFWFLSA-N 432.477 0.976 50 20 ICGD CN(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 818563586 PNTKEMQMBYANGC-KBXCAEBGSA-N 426.470 0.085 50 20 ICGD C[C@H](NC(=O)CCC(=O)N1CC[C@H](B(O)O)C1)C(=O)c1ccc(Br)cc1 864231187 JYXNFZLNLRFZMK-AAEUAGOBSA-N 425.088 0.992 50 20 ICGD COC(=O)COc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 918285409 KZONTWOJYHJRLF-UHFFFAOYSA-N 434.474 0.915 50 20 ICGD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886885 XEMHWSVDXMYIEM-CABCVRRESA-N 442.563 0.364 50 20 ICGD CCNC(=O)CN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920854587 OHGODIDFWUTJFY-WJDWOHSUSA-N 438.488 0.936 50 20 ICGD O=C(CCn1nc(O)c2ccccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 921160716 PNASGLPSJJGCOQ-UHFFFAOYSA-N 444.473 0.247 50 20 ICGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cccc(CN2CCS(=O)(=O)CC2)c1 1322290341 DMZVRYOEWJXPAN-UHFFFAOYSA-N 431.518 0.594 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779150057 LKYRWIVMIZTQPS-DTPJYZGHSA-N 438.289 0.815 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](C)Br)CCO4)C3)(C1)C2 1783445966 FFZDBMVQECOXST-GGKIJQQKSA-N 429.311 0.943 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785328979 LKWSGJUUWHGOBZ-XBMQVOARSA-N 442.875 0.507 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983965 XUZHCSWVGPXRAW-LCNLMQJVSA-N 448.328 0.763 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nonc4c3)[C@H]2C1 1787882799 XUEXGVUXFGOHAE-MPGHIAIKSA-N 444.492 0.189 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C[C@@H]21 1788611362 WWGUXUNHSZUUBB-PDWMJMLSSA-N 445.520 0.095 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21 1791289249 PVABSDRGHQNVEP-WBAXXEDZSA-N 435.500 0.116 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)CBr)CC1 1792987726 YZMJODHJRXJZDT-MXASKKJJSA-N 443.386 0.820 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12 1793063136 VJJSKDZNCYZOLW-MUJYYYPQSA-N 447.499 0.827 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(OC)c1 1794054198 WBHXNGRWWBRCMS-LORHWOILSA-N 425.913 0.866 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796998945 JXHWASSPXYIOLY-LOUJCGABSA-N 448.907 0.391 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1797956953 RKJQSEXZZZKOBB-XOIINTDNSA-N 436.585 0.980 50 20 ICGD COc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801722009 NOAJINUOOUUTKG-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360232 IHECIUKWWMFQBG-XLIONFOSSA-N 433.277 0.426 50 20 ICGD C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813040694 SLUYLWGLEGSXRK-QEORTHHSSA-N 428.518 0.718 50 20 ICGD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1F 1813071719 WGEHBUMHORKGIJ-QRWLVFNGSA-N 445.499 0.945 50 20 ICGD CC1=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCO1 1815354634 OBNKAZQGHHGABN-CQSZACIVSA-N 427.291 0.743 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815356302 BBIAWAUJQQDPHK-CQSZACIVSA-N 439.306 0.323 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817000380 XODAMAGCJZPRNQ-QNNUWVPTSA-N 441.517 0.717 50 20 ICGD CN1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1818914976 ABYOZXWDROGDSF-KRWDZBQOSA-N 448.572 0.022 50 20 ICGD CNc1nsnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822411690 AKECJECOMLWJAP-GFCCVEGCSA-N 449.541 0.982 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(O)nn1)CC2 1826004616 OQCSEUANQOYVPB-UWVGGRQHSA-N 441.897 0.884 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050327 MQRDLENXULTBQC-SFTDATJTSA-N 427.354 0.694 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925765 RAZMBRPJWSTWKG-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1830535025 GQYJLNZCPNSBJP-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n[nH]1 1830539338 GJRSPSWLWRZYGE-ACJLOTCBSA-N 443.342 0.748 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732899 YEXLYJBSWYCXOC-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD N#Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1F 1830733807 UACVCWGREHTLNH-PXNSSMCTSA-N 439.871 0.296 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 1830738265 NHBDVILUQKEOFZ-BLIXFSHQSA-N 438.908 0.436 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793529 PBBACCDXIMOKER-SFHVURJKSA-N 443.888 0.513 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3noc(C)n3)CC2)CC1 1833812390 VLOMSEZYTSYZDB-INIZCTEOSA-N 427.933 0.746 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601345 HRFVKQNGBVJBHV-UGSOOPFHSA-N 443.294 0.741 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnc1 1834818900 FHJSLYSRTFYGCH-YOEHRIQHSA-N 429.315 0.686 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819646 XCKMOIXORCTTFR-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1[nH]nc2ccncc12 1835017414 FMOQRLCZTDBUQQ-KRWDZBQOSA-N 434.928 0.743 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609536 ROHWARVLWHGODO-KBXCAEBGSA-N 434.375 0.862 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654960 PJFUYTPZGONJEY-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198962 PJZIIWJPFFOKSO-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839642998 AVMYMFBNDGRRDX-RVKKMQEKSA-N 434.375 0.957 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840149118 DWDUAMPWGWECAO-PXNSSMCTSA-N 442.896 0.481 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840149612 VPMNIMDFAXTGNT-HEHGZKQESA-N 441.750 0.728 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840150493 MVLCYPZVYLEMCU-FZKQIMNGSA-N 446.863 0.106 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1840150952 ULZSKUQQGYUFPT-PXNSSMCTSA-N 425.913 0.643 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840156749 YSYSKWMNPTWJKT-VQIMIIECSA-N 428.917 0.374 50 20 ICGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1ccc[nH]1 1840186558 QIKQEZOFEVXVBK-SFHVURJKSA-N 447.319 0.395 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233681 NOWXLFAQJLGZPH-QWQRMKEZSA-N 446.342 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840348414 OUBYZNFIOGMPPG-FXAWDEMLSA-N 442.944 0.600 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cn3cc(Cl)ccc3n2)C1 1843659337 JURSLMLGWYFHJB-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c([N+](=O)[O-])c1 1845260754 OBVPMDHCSJXNCA-UHFFFAOYSA-N 447.492 0.722 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847088859 FVVPLQAWRCMNLZ-OLZOCXBDSA-N 446.932 0.212 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3sccn3c2=O)cc1 15709736 QFZQOQFMWPZWSF-UHFFFAOYSA-N 435.487 0.146 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 26963358 HWNQKFLYEIVULQ-OAQYLSRUSA-N 440.412 0.652 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 728607579 CKPRFTGQOJNZLW-AWEZNQCLSA-N 433.552 0.352 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730812829 XIDVEHBPUJKUKA-UHFFFAOYSA-N 434.879 0.838 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)c2ccccc2c1=O 733848957 VGDZVPWGPFPRLB-UHFFFAOYSA-N 442.476 0.680 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCOC[C@H]2CCCO2)CC1 735117373 TUOQIQYNUSXXFL-OAHLLOKOSA-N 427.527 0.047 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)cc1OC 735868304 PXSSMIIPPBBKLS-QZTJIDSGSA-N 447.580 0.955 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 741144473 UGVAVXPVUVDFAT-NSHDSACASA-N 428.442 0.307 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ccc(-n2cnnn2)cc1 742025312 AGHKBGUQOUADBV-UHFFFAOYSA-N 428.409 0.610 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)C)cc1 745904972 GBEIYKCMRXYIAZ-CQSZACIVSA-N 428.511 0.534 50 20 ICGD CCc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)[nH]c(C)c1C(N)=O 748367192 ZIOACFPHTPOXFZ-CQSZACIVSA-N 430.417 0.129 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(Cl)cc1C(=O)O 749142301 JGSDTKKDCQIINH-UHFFFAOYSA-N 431.810 0.379 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)Nc1ccc(OC(F)F)cc1 750288781 KTVWHWDYYXAUME-UHFFFAOYSA-N 448.408 0.731 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(c2ncccc2F)C1 755150405 PZUBSNJQXTWJSW-OAHLLOKOSA-N 428.472 0.836 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1C 763011489 GDRMTUHVMHHVDU-CQSZACIVSA-N 448.501 0.296 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCSC1 763385854 HQXSNBULVWIUSR-HNNXBMFYSA-N 426.564 0.669 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c2ccccc2O1 763456090 VXIQTNSXJICTLJ-SFHVURJKSA-N 433.424 0.536 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)ccc1C 763664562 CPCSERUFCDXNQZ-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 763685281 AFBFFWDRIHUTJF-UHFFFAOYSA-N 425.850 0.908 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)c1 763821629 VMXBMLCJULMAAN-AWEZNQCLSA-N 441.444 0.029 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccc2O1 764182510 NLSHOTDFRMAWMI-SFHVURJKSA-N 435.440 0.640 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764200150 YMGWCQVZVRHUEJ-UHFFFAOYSA-N 433.509 0.271 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764271120 VNRWAPHZCNWTOU-AWEZNQCLSA-N 447.517 0.628 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 764332680 WSOJQNIRVILKGW-KRWDZBQOSA-N 428.493 0.495 50 20 ICGD CC(C)c1cccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764515393 OYDUQZKWCNERHS-UHFFFAOYSA-N 429.506 0.575 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)Cc1cc[nH]n1 767982049 SYXUXGYVMDVNSW-UHFFFAOYSA-N 445.505 0.182 50 20 ICGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1 769650652 JJYDMOISVMYRPD-UHFFFAOYSA-N 445.519 0.704 50 20 ICGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 770756771 BXZVXYGITYBZNQ-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC2=O)c1 770974671 ORUONZOZYCNROR-JTQLQIEISA-N 427.421 0.582 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 773074091 VXHXPIWBYXIBSF-UHFFFAOYSA-N 447.473 0.136 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(C)n2)c1 773513570 WXAKZTUWOGPOPQ-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n(C)c1 778687377 CXPCZLLWEACMQS-UHFFFAOYSA-N 434.453 0.879 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779491289 MNXNOSJYNWULFA-SUMWQHHRSA-N 443.504 0.623 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1c(F)cccc1F 782897698 SGMLPTCRIADFOV-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC1CCOCC1 784001848 FGBWFCVKUKOUII-UHFFFAOYSA-N 444.444 0.662 50 20 ICGD CC(=O)N(Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)C(C)C 784002307 CHRCLNHEZZPYLU-UHFFFAOYSA-N 443.460 0.552 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3cccc(F)c3)cc2)CC1 784231345 XIZKYNAKAKNXNG-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD CC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 785956258 QGUXVLLCMGHSDM-NSHDSACASA-N 444.819 0.439 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1N1CCNC1=O 787542744 QDOFZDVMQIIKOC-UHFFFAOYSA-N 425.445 0.949 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ncnn1C 788887370 UFQOPLMROBNCRB-CYBMUJFWSA-N 435.510 0.695 50 20 ICGD COC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 789334950 OTCVMHZMPPAWAY-HZPDHXFCSA-N 428.511 0.140 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)ccc1Cl 792020754 FNQOBDKPMFRONS-SECBINFHSA-N 428.820 0.633 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCCn1cc(Br)cn1 792223747 FKFOCNVEHNNGIW-UHFFFAOYSA-N 427.259 0.779 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792395067 ORINPUSUJPDPRP-UHFFFAOYSA-N 438.492 0.883 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 795386994 UYHBTYBNBWDBED-UHFFFAOYSA-N 447.469 0.480 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797052313 KRHQEDBDGMMSAG-UHFFFAOYSA-N 446.489 0.966 50 20 ICGD CCn1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C(F)(F)F 799261754 BLMFUEOFWWGLMC-UHFFFAOYSA-N 432.384 0.499 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 800748808 NIDGVMIRMRMFOC-RYUDHWBXSA-N 429.455 0.022 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(O)ccc1[N+](=O)[O-] 802763147 RNOMSZDGTGDZHA-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(F)n1 804770475 CZMCZUYIFWLFRF-ZDUSSCGKSA-N 430.483 0.446 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)OC(C)C 808081495 PCMHORAKMTVEHB-GFCCVEGCSA-N 433.508 0.240 50 20 ICGD O=C(CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NCCN1CCCCCC1 814295867 IQJMVSTVDPWPJE-UHFFFAOYSA-N 446.556 0.016 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 825457556 YBJLTQDNEUBBEK-UHFFFAOYSA-N 437.456 0.326 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(=O)OC)nc2)c1 875486404 WVXWYTDOHYFMJW-UHFFFAOYSA-N 434.474 0.974 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 916228621 KNJVFNUPXGYRMV-UHFFFAOYSA-N 447.517 0.822 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1ccccc1 916295097 IURLXCNGNJFKOT-UHFFFAOYSA-N 436.490 0.773 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccn2)CC1 916389687 CKYPFXMLJHKUBY-UHFFFAOYSA-N 443.464 0.651 50 20 ICGD CC(=O)NCCCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 916521738 LGCNFPAOVQYMAS-UHFFFAOYSA-N 436.472 0.915 50 20 ICGD Cn1cc(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cn1 1324986808 JELGXXSYLGFMTQ-UHFFFAOYSA-N 441.469 0.543 50 20 ICGD COC(=O)C12CCC(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(CC1)CC2 1778298266 CYKQMVDRMKKNHD-NUDUCMMGSA-N 442.940 0.930 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780098429 ACAVUTCJRRAEPU-FZKQIMNGSA-N 426.311 0.860 50 20 ICGD O=C(c1cnc2ncccn12)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329973 OWGMTHCJGNBWPC-WBMJQRKESA-N 426.246 0.863 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782209473 SACDWWHVFPVJHN-VGOFRKELSA-N 447.536 0.591 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782270222 MJACSRVCYCTEOU-RZQQEMMASA-N 425.602 0.878 50 20 ICGD Cc1ccc(C)c(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1783289391 HCKBHLXWRAUVNE-XMMPIXPASA-N 436.317 0.669 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783347317 GYPNENBXOAJARF-MGPLVRAMSA-N 429.271 0.505 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1784104299 PWPRVJBVYLUAEW-URXFXBBRSA-N 434.301 0.540 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCc3cccnc3)C2)C1 1784675634 JGXHDVINBFKKFM-JOCHJYFZSA-N 431.537 0.607 50 20 ICGD Cc1[nH]ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787688095 AJNFWPZRZLRHBS-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788351775 KQBGPVRBNSDYSN-AYDFFVQHSA-N 426.901 0.513 50 20 ICGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)o1 1788608679 HOMRUVVVOLAZDJ-ZOBUZTSGSA-N 449.508 0.204 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788637848 FVZSGBMPOSMLBI-KFGODFMUSA-N 446.928 0.868 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1sccc1Cl 1789040151 CWTUEKVROCPFJX-QRTARXTBSA-N 448.737 0.988 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(O)c1 1789482131 ARBXMWUFQJBVHH-FNHZYXHNSA-N 448.520 0.367 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1790963028 KCJNXBTZLKJBSY-RMEBNNNOSA-N 430.343 0.760 50 20 ICGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056927 IDHOHIHQTWLVKJ-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD Cc1cn(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](O)CCl)CCC3)cc2)c(=O)nc1O 1792222788 BNYWIWYKYQWOPX-HNNXBMFYSA-N 434.880 0.991 50 20 ICGD O=C([C@H](O)CCl)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)Nc2ccccc2)CC1 1793400609 OKQXDOPVIQDOOT-YALNPMBYSA-N 435.908 0.595 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793631594 GCGSRWOGZLTOHN-QRJUGERDSA-N 445.944 0.839 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1F 1795488916 OCNUWPYYOXOAAF-UCSBCBTLSA-N 448.850 0.785 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1799278866 ZKNMSFLLUARHAM-VKZHRDFRSA-N 434.242 0.491 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1OC 1799637293 JTPVNLIQTISBIJ-REPLKXPHSA-N 438.289 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(OC)n1)C2 1800973582 GGVSLMGESWIYKI-QHHYFVSCSA-N 425.913 0.866 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1802032020 BEVWYMPSSAAWRI-NZBFACKJSA-N 432.359 0.912 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)n1cnnn1 1803085321 ATLXTGNKCOWXSH-CZCNGZEJSA-N 427.469 0.006 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2cccn2)[C@H]1c1cccnc1 1807639038 UVODRQPDLSVHHA-OXQOHEQNSA-N 448.487 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)ncn2)n[nH]1 1815359585 OVMXJUQHCRYFMK-CQSZACIVSA-N 430.469 0.584 50 20 ICGD CN1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)C1 1819404195 CZUVNTWUXUOOQR-INIZCTEOSA-N 426.481 0.276 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccnn2)[nH]n1 1822416777 OFENLQGBBGNFAH-OAHLLOKOSA-N 444.496 0.644 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822431842 CUCHIOVPMWWYGE-IAGOWNOFSA-N 446.338 0.509 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1826000205 OHKSXRHOEUJEJF-ZJUUUORDSA-N 433.987 0.793 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1 1827606937 CMEHKZNCXGQADJ-WBVHZDCISA-N 437.965 0.871 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cn1 1830535888 VTZRKYMLEVRIQF-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537040 ANFDNPMCRZNBOV-PIGZYNQJSA-N 445.314 0.666 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830725213 HEYMKIRLEYYMPV-UWJYYQICSA-N 440.924 0.602 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832673137 XDMZRZWKDVBHAO-GOSISDBHSA-N 442.310 0.702 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834582079 YXASALLTXZWNNL-UZLBHIALSA-N 441.912 0.722 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834584214 QEOGYRVYAJJZMB-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819670 YASKBUVMWFGMOB-SFHVURJKSA-N 442.310 0.945 50 20 ICGD O=C(CCN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834821417 ITDYVSIUGHENDS-QGZVFWFLSA-N 448.314 0.070 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836064472 RVDDBWJDEWBJSS-INIZCTEOSA-N 425.917 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CNC(C)(C)C)CC2)CC1 1837858049 SADKEBSJJPXNJX-UHFFFAOYSA-N 439.601 0.746 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838038896 GEPRZYZONRDRKF-SJCJKPOMSA-N 436.843 0.602 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838383661 NSSJRUPOUFBNHX-PBHICJAKSA-N 446.976 0.946 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198092 SXQTVBZZJAAYAX-BBRMVZONSA-N 433.278 0.664 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840031319 MEQYCWOYDGKBDV-KSSFIOAISA-N 442.310 0.700 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840152351 GFRREJMAPYBRRZ-JLTOFOAXSA-N 436.896 0.887 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353566 FAIQHZWRMNKEST-CKFHNAJUSA-N 445.944 0.550 50 20 ICGD O=C(C[C@H]1OCCc2ccccc21)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010535 ZFUFBELFERPDTO-OAQYLSRUSA-N 434.301 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CSc1ccncc1)C2 1844263416 CAMJCWSIIFTZJQ-UHFFFAOYSA-N 426.502 0.689 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845027982 NSVRGPJAFXABHL-CVKSISIWSA-N 448.487 0.609 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1846361874 SLNOQIZVZXWKAT-UONOGXRCSA-N 432.949 0.686 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1 15888795 AAFAATCIIKNRBS-UHFFFAOYSA-N 434.449 0.982 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)on1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 28792941 IULCAAYSJWYCEG-CYBMUJFWSA-N 445.457 0.268 50 20 ICGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 115407977 REZOWGMEGGUGJR-QMMMGPOBSA-N 430.895 0.628 50 20 ICGD C[C@@H]1CN(Cc2cccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)c2)CCO1 726241974 QPJXJZAKXQRLTI-OAHLLOKOSA-N 429.477 0.761 50 20 ICGD CN(CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)c1cccnc1 726863507 WIAZLNMCKQTAAI-UHFFFAOYSA-N 439.519 0.286 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)NCC(N)=O)c2)c(C)c1 727066639 ZVXNBMDYCSURFK-UHFFFAOYSA-N 435.531 0.698 50 20 ICGD CN1CCN([C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc2)CC1 728151004 OCKJBBYQIDSLDD-HXUWFJFHSA-N 434.500 0.683 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(-c3cnccn3)n2)ccc1Cl 728264180 BDDYPFZRQBJQSZ-UHFFFAOYSA-N 438.878 0.976 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2c(C)n[nH]c2n1 728340392 JJRBSSCWYSKKMF-HNNXBMFYSA-N 425.401 0.719 50 20 ICGD COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cnn[nH]3)ccc2C)cc1 729455665 RLVRUNFJUVGXDK-UHFFFAOYSA-N 430.446 0.997 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1 731864526 ZLKUHWSIWRDWCI-UHFFFAOYSA-N 431.430 0.355 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccc2ccccc2n1 732049375 SEEFULPVWXFDGV-LJQANCHMSA-N 425.489 0.709 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C[C@@H](C)O1 732262220 SAUKLHRIPCMOEC-HUUCEWRRSA-N 438.550 0.635 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1cc2c(s1)CCC2 732474037 DZWQUGSBIMBKFB-CYBMUJFWSA-N 430.552 0.669 50 20 ICGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 733660147 MWNJDWHSVAUAHI-CYBMUJFWSA-N 446.551 0.238 50 20 ICGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 735030112 CNJOBYYDBLMYOU-CYBMUJFWSA-N 444.473 0.542 50 20 ICGD CN1CC[C@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1=O 739059619 QWIKHQPKYMQNMJ-KRWDZBQOSA-N 434.456 0.620 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncccc3C(F)(F)F)c2)CCN1 740094927 CWHUMZOFGRQSKS-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(N2CCCS2(=O)=O)cc1 741163937 RJXFHXGSDZCDBO-UHFFFAOYSA-N 438.491 0.455 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 744447160 ZGZFWGPENLVPBM-UHFFFAOYSA-N 440.522 0.158 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 745861673 DMGNDOFNCGPWRZ-INIZCTEOSA-N 441.602 0.668 50 20 ICGD COc1ccc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 746883267 MZZGQXYYWFSWMU-KRWDZBQOSA-N 441.531 0.920 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1cccc2cccnc12 749908545 NHVWXBADZFEFNO-UHFFFAOYSA-N 442.443 0.874 50 20 ICGD C[C@@H]1C[C@H](CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 753334275 GWSXZCPCBSRTCH-HZPDHXFCSA-N 440.570 0.849 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 755495719 OOMKSRNBGFAXOS-HNNXBMFYSA-N 439.494 0.506 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 755498418 CJEBOTLAMGDXIO-HNNXBMFYSA-N 439.494 0.506 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(-c3ccccn3)c2)c1 756704504 GHFYBASYRABDDJ-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 756893403 OZRSAPHDVLCTQI-OAQYLSRUSA-N 434.493 0.846 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 758038058 BYDLPDZWAWUYMK-JSGCOSHPSA-N 428.511 0.208 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(C)c1 762972086 LNSCGDKQEHSXRV-CQSZACIVSA-N 447.517 0.329 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1C[C@@]12CCOC2 763374912 VFKHIRQRAGEXTG-YLJYHZDGSA-N 437.518 0.214 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 763539839 XCEKFHFJBZPHDA-ZBFHGGJFSA-N 438.554 0.567 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763728428 PWKYTWLWUJIOSV-UHFFFAOYSA-N 444.513 0.770 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 763864471 BJVQWIGODOBXSE-UHFFFAOYSA-N 443.485 0.546 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)c3cc(C)[nH]n3)ccc21 764105910 CBUUQSNRJMPTBH-UHFFFAOYSA-N 439.476 0.941 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1 764154674 SSBYGMREFFXROJ-GOSISDBHSA-N 440.456 0.552 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccccn2)n1 764270241 JEXQEONYWWMSRD-UHFFFAOYSA-N 436.428 0.773 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1COC 764398306 DYTRYFVOMOCOEA-JTQLQIEISA-N 432.271 0.733 50 20 ICGD COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NNC(=O)C(=O)N1CCCC1)CC2 765347692 FICWCXPRXDIARM-UHFFFAOYSA-N 432.477 0.139 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc2ccc(F)cc12 765727027 IPHNSFLLXONLGP-UHFFFAOYSA-N 428.380 0.089 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 769430465 GKGASZXKNVNPFV-AWEZNQCLSA-N 433.477 0.738 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 770969455 QBHYOFDOAHCYJF-UHFFFAOYSA-N 445.505 0.929 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 771200365 VUSHDBVJYHKFTR-CYBMUJFWSA-N 434.464 0.646 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 772548806 YYJWPWVODLNLIF-CYBMUJFWSA-N 436.538 0.857 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(O)ncnc4cn3)cc2)CC1 779011408 IDKXJTXNIKLZRR-UHFFFAOYSA-N 443.489 0.423 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 790321319 ZLAJAGXKCCIYNG-UGSOOPFHSA-N 438.396 0.911 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 792855761 BWHBJINWOVJRNJ-KBMXLJTQSA-N 446.485 0.160 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cncc(Br)c2)c1 795292855 AZBPTGOPNSEDTD-UHFFFAOYSA-N 434.293 0.871 50 20 ICGD COc1cnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 806513983 OABITYZJQYSCSW-UHFFFAOYSA-N 441.491 0.639 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1 813033483 VRWRXXSYSMQYTE-UHFFFAOYSA-N 431.474 0.903 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912920114 VARQBKFEYDUKCM-GASCZTMLSA-N 426.539 0.634 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 915077245 SDKIVWKJMQEITC-UHFFFAOYSA-N 426.454 0.770 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 915832218 OQPUHFATUBQAJH-AAEUAGOBSA-N 445.444 0.475 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 915878255 TZGWYNGJANSBRA-UHFFFAOYSA-N 448.501 0.860 50 20 ICGD CC(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916219565 FQKFNDHTOIVRTC-UHFFFAOYSA-N 426.495 0.757 50 20 ICGD Cc1cc(C)nc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 916516702 OYTYQLJMAMSSQR-UHFFFAOYSA-N 434.526 0.267 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3n[nH]c(O)n3)cc2)cc1 918293187 YJRQTPLOMMBQCM-UHFFFAOYSA-N 444.473 0.714 50 20 ICGD C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919691954 GNSHRCBBGDJSGM-OKILXGFUSA-N 425.507 0.661 50 20 ICGD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 919712257 FMLXJUALMFNFST-QGZVFWFLSA-N 439.472 0.547 50 20 ICGD CCNC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920849882 WAKAWXLTHINIFR-HNDQUVLASA-N 438.488 0.982 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1C(=O)NCC(F)(F)F 1320639482 XGLUZBGZOLLQJK-UHFFFAOYSA-N 448.427 0.542 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779206383 KFQZOYAJIVPGTO-PXAZEXFGSA-N 425.283 0.633 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)CO[Si](C)(C)C)CCO4)C3)CC2)CC1 1781109899 UWOWAMRVTFCFRB-HXUWFJFHSA-N 438.645 0.448 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935693 XWUGZHCUYAIANC-JOCHJYFZSA-N 446.504 0.488 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1783974652 ULLUVUZXSPOLLW-REZKGXPESA-N 449.342 0.613 50 20 ICGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786859539 NCARTDBANQTIEG-XUXIUFHCSA-N 433.322 0.938 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccc1 1786982233 SILQYNJTNIZHKF-XEHJXZTKSA-N 436.317 0.763 50 20 ICGD O=C(CN1CCOC1=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140099 IHSKNUPFEDSMGQ-UHFFFAOYSA-N 437.261 0.566 50 20 ICGD CC(C)n1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788929492 HZXLJUGBOXSICH-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cnc1O)c1cccc(B(O)O)c1 1792438577 ABOYZDVNZFTFCB-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1793248556 NXXKKRMTNLZFED-XLWJZTARSA-N 433.933 0.500 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1793452242 UGFMUFWXDCUZMX-SGPHBRAGSA-N 433.933 0.827 50 20 ICGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321010 ZCMQSILWCSJWHJ-YWVIFJGQSA-N 437.928 0.485 50 20 ICGD Cn1ncc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cccc21 1797632403 FHCZEEGWXXFGCX-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798473300 ASHNHTSSTLSQQK-HNCHTBHHSA-N 426.267 0.797 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)cc(F)c1 1798990706 SLSIQMRPEPWBRW-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)c1cc2n(n1)CCNC2=O 1800156411 UOWFVXDQAOWIAH-WJZNIJOASA-N 428.262 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3cccc(F)c3)CC1)C2 1801010830 XTCNANFQYXELFE-VPTLXERWSA-N 446.523 0.820 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1810294682 MCOQTEAADLLOTL-LAUBAEHRSA-N 432.484 0.813 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cnn4ncccc34)C2)CC1 1810747026 QPKCAPKVINNBBR-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1811000164 SDZIERBHJWMTNY-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815354984 KMHOZGOQCLGEOU-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817116152 SMHBUAFWMCHKSC-XLDPMVHQSA-N 426.923 0.917 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1O)CC2 1826087489 FEVMOBYVBYJOHO-NSHDSACASA-N 432.506 0.843 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)CC1 1831768286 GOILJZJZGWLYOZ-IBGZPJMESA-N 449.596 0.992 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1834552657 NYLHMAMVFOVLQJ-KSSFIOAISA-N 432.304 0.713 50 20 ICGD Cn1cccc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797558 YLXXPJHSLPECPI-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798359 LWPAUULDLAULCS-LJQANCHMSA-N 435.761 0.569 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834869269 FWGFRFDYAOBCHN-CQSZACIVSA-N 441.374 0.881 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835514058 YWOZJSJCHMSULQ-LSDHHAIUSA-N 427.354 0.306 50 20 ICGD CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736935 LFNHRENPBKHXSU-UHFFFAOYSA-N 430.553 0.916 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1835755855 QDWCSNXZYYUSAM-SJORKVTESA-N 449.907 0.587 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)n1ccccc1=O 1835822340 YYRURTGYQMMMCQ-QAPCUYQASA-N 438.956 0.581 50 20 ICGD COC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836912845 LPYHFXOWAMSCQJ-INIZCTEOSA-N 432.326 0.261 50 20 ICGD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1838414213 XEXUIIUGRZSURA-UHFFFAOYSA-N 448.568 0.632 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1C 1838834144 LHGHXTVNVJQQFK-LJQANCHMSA-N 440.573 0.350 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839116807 PBSJLXUIQONHNE-OXQOHEQNSA-N 429.945 0.061 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199176 RTHNFEUEHWFFJP-JKIFEVAISA-N 436.322 0.618 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584179 GYWAGODJEKQYAP-FOIQADDNSA-N 440.928 0.233 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716020 KKDFNFMXLMSLFN-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840152140 YIAPLNOKOOUXPT-PXNSSMCTSA-N 431.961 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1840184187 BTOZFAYVNXUUQR-HXUWFJFHSA-N 442.532 0.488 50 20 ICGD O=C(C[C@@H]1OCCc2ccccc21)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010534 ZFUFBELFERPDTO-NRFANRHFSA-N 434.301 0.888 50 20 ICGD Cc1cc2nc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)[nH]c2cc1C 1843014261 RMIXZTVGTDPYLY-UHFFFAOYSA-N 432.289 0.990 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844254774 DGHWVTJVXPZTHL-UHFFFAOYSA-N 435.289 0.213 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Br)C2)c1 1845216525 UTCGKJKCKDSDGX-GFCCVEGCSA-N 434.287 0.993 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405545 BQEGSJKMPMFJOL-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)C(=O)C1 1847122431 APSBUZMAHVDLJF-HNNXBMFYSA-N 446.907 0.804 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 725873248 WVJPNEIWEKMBIY-UHFFFAOYSA-N 431.424 0.784 50 20 ICGD Cc1cc(C)n2nc(C)c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2n1 728330185 FUKXALJHZKAGAZ-MRXNPFEDSA-N 439.428 0.799 50 20 ICGD COc1cc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 728846318 WJKLNHFMJDQMNQ-UHFFFAOYSA-N 430.421 0.836 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 730821146 KMKVJDAWSFGDAI-UHFFFAOYSA-N 433.465 0.746 50 20 ICGD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NNC(=O)[C@H]1COc2ccccc2O1 731050499 LQRDOZSZFLZKLH-CQSZACIVSA-N 434.792 0.965 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 734240441 RDPDYJQLKBIGDL-UHFFFAOYSA-N 434.902 0.969 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCN(CCN2CCOCC2)C1 734686451 NXSIGGRNMJSQPD-HNNXBMFYSA-N 427.452 0.639 50 20 ICGD COc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1OC 735116828 HSBFTGMQOMPLOJ-UHFFFAOYSA-N 435.506 0.792 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2COc3ccccc3C2)CC1 735118447 VPTGDPSQPQMEEW-INIZCTEOSA-N 431.518 0.712 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12 742037197 VORDBKWDWSZFHT-GFCCVEGCSA-N 433.494 0.121 50 20 ICGD O=C(NN=Cc1cc(-c2cccnc2)n[nH]1)C(=O)NN=Cc1cc(-c2cccnc2)n[nH]1 743420907 SGLQIPSOIXNWEA-UHFFFAOYSA-N 428.416 0.857 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 749563418 LEYZFZCJHXYZPO-INIZCTEOSA-N 449.427 0.457 50 20 ICGD C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2N1C 749866014 BWTWRLACADVVDA-LLVKDONJSA-N 430.490 0.831 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1ccccn1 755410122 ZWDMRZQVGBAJLL-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2)C1=O 755994686 ZXYKIMGQZGBGQO-UHFFFAOYSA-N 445.457 0.955 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 756434393 MQRFLMUMBKIWHK-GFCCVEGCSA-N 432.524 0.734 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1OC 757691560 WQSBYHHNLKBSFT-UHFFFAOYSA-N 433.392 0.577 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c2ccccc2O1 763753784 JYHZOYOWCUHEBV-KRWDZBQOSA-N 425.445 0.054 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2scnc2C)c1 764247234 PBXIWGOUIPUAAO-UHFFFAOYSA-N 446.533 0.923 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1N1CCCCC1=O 764268217 LQYJDMAIFKADMS-UHFFFAOYSA-N 425.445 0.936 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 764392646 JQBOLAOOYZGHID-UHFFFAOYSA-N 428.470 0.859 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427960 GQOPSDHKCZLXST-DYVFJYSZSA-N 432.477 0.368 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 764622594 QMILBZVDKYDJQL-UHFFFAOYSA-N 429.454 0.899 50 20 ICGD O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NNC(=O)[C@H]1COc2ccccc2O1 765460901 SRXILEKZDZUYTA-CYBMUJFWSA-N 426.389 0.370 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn(-c2ccccc2)n1 765733749 RRFASGOWZVZUSI-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 770440497 NREOKZDQXBKQDI-LBPRGKRZSA-N 434.902 0.100 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 771867806 LAJNRCWMLKGWBJ-UWVGGRQHSA-N 439.412 0.861 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nn1 772844723 RGWCMXLIGONXHM-UHFFFAOYSA-N 427.509 0.418 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)c1 773088274 PKSNWIKJFRFCBG-UHFFFAOYSA-N 437.416 0.775 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cccc(I)c2)CCS(=O)(=O)C1 783428639 WOSGRTALSXUVGJ-ZDUSSCGKSA-N 437.259 0.428 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(F)cc1F 784004562 HGPSSIXPIQUIMY-UHFFFAOYSA-N 439.400 0.501 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 784916186 UZYIDKVFPWJRKT-UHFFFAOYSA-N 429.499 0.355 50 20 ICGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789585151 ZDRVIFOWRDJCDF-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@@](C)=O)CC2)c1 799716860 ZFMMFNYHXWEYDZ-HHHXNRCGSA-N 430.552 0.572 50 20 ICGD O=C(CN1CCC(S(=O)(=O)N2CCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 800482344 RCJLSODPBMOMAN-UHFFFAOYSA-N 439.494 0.246 50 20 ICGD Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)NC(C)C 801111473 LZVKRCXZEGLDAS-UHFFFAOYSA-N 434.190 0.793 50 20 ICGD Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 806976347 AXONJXBQTIFIJU-HNNXBMFYSA-N 436.534 0.896 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cccc(F)n3)c2)CC1 807390635 IRUMGLNPCLFERM-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 810586064 SUCIMYWKKNUALB-UHFFFAOYSA-N 442.432 0.827 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1C 813033277 MBFDOOOYSVRHLK-UHFFFAOYSA-N 437.478 0.534 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1cnn(C)c1I 814719192 CPCMGQPJMPFTIK-UHFFFAOYSA-N 430.202 0.873 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cn2)CC1 815568471 JCDUZODYJZEZDP-UHFFFAOYSA-N 432.481 0.636 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cnn(-c2ccccc2)c1C 818269526 CTXDVLNTJNANLS-UHFFFAOYSA-N 427.490 0.606 50 20 ICGD O=C(NNC(=O)C1CC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 859364231 CTCSPEWJCPCQNH-UHFFFAOYSA-N 436.534 0.869 50 20 ICGD CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 916644958 GYPMHWVVZUVFRT-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)nc2)c1 917250713 GFNJOVGZNXKKTM-UHFFFAOYSA-N 439.881 0.176 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(=O)n(CCOC)c2)c2ccccc2c1=O 917390472 LNOHOARTSNTWNF-UHFFFAOYSA-N 425.445 0.689 50 20 ICGD COC(=O)C(=O)NNC(=O)NCc1cc(Cl)c(I)cc1OC 1321261528 HMROTLBFRWVJDH-UHFFFAOYSA-N 441.609 0.957 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778567021 UKXIEGIVHZWZEP-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1779036981 LBTALRSIJKEDSO-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CCc1nc(C(=O)N2CC[C@@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)co1 1779705035 RXKYUXADPPSKMQ-GQBLCDNYSA-N 442.476 0.815 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)ccn2C)C1 1780059693 NNLMREXIBZMBMQ-XAUMDUMWSA-N 425.913 0.767 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331374 JEBGRCIDQHYOKG-CZUORRHYSA-N 426.246 0.863 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781338846 NIUKQVKOAVMMNE-ZJNRKIDTSA-N 437.896 0.626 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])CCO2)C1 1783875812 TZORTLYMGGHOOJ-SGTLLEGYSA-N 442.856 0.696 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1783879811 BBGPYPBTCWOOSR-QOIOWGMHSA-N 427.929 0.471 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783965870 WFTDERQXCPAKPI-PEDHHIEDSA-N 433.347 0.444 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21)[C@@H](O)CCl 1784092184 JQMUXHPYXXVTJO-MVWHLILJSA-N 429.832 0.927 50 20 ICGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC=CCC1 1786982193 QRNOHCWEZDMZHF-UDSSINMLSA-N 426.322 0.706 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)nn1C 1789402404 PNLHSLYMBUKJIR-WRZDFSGXSA-N 433.278 0.713 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791609940 OGGANRDZAZFTRK-AICCOOGYSA-N 428.331 0.850 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1Cc2ccccc2C1 1792316640 TVCUHZJYDGAEQO-VJBMBRPKSA-N 448.328 0.375 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1792872426 GPQUXYYJCXHFBC-NFFDBFGFSA-N 426.311 0.620 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2cnccc12 1797470908 GYGXZTVKKYXHHR-OPMZPASUSA-N 445.284 0.432 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797652626 JSUPHKINRBLWCU-GUDRVLHUSA-N 445.232 0.713 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3C1)C2 1801012580 AZAJFGXDOVVKDN-GJPOJAMWSA-N 442.560 0.754 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc21 1801112875 RRHYZJPAGBVMDG-VWFIUDSGSA-N 449.511 0.618 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)c1 1805951016 KRPWOBWVKSVZJY-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808212464 AUSVUYZLLKMNJG-NYLMZZAHSA-N 449.515 0.749 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1808277341 CSSDWHSKWAPFNH-AOIWGVFYSA-N 426.945 0.391 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813073680 NVOOROOZEIKBFG-CEQIKUNHSA-N 444.536 0.151 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)c3ccccn3)sc2C1 1815022918 WNYYQBZGXYQPFE-XIKOKIGWSA-N 445.549 0.523 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815328681 ZEWXLSFDHIYWNS-KBUNVGBDSA-N 425.833 0.634 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354578 JMGBRMWPEGOYBT-YLVFBTJISA-N 430.339 0.422 50 20 ICGD O=C(CC[C@@H]1CCOC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361864 SVLMOCWSMYQPED-CJNGLKHVSA-N 443.334 0.865 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2)c1cc(=O)n2[nH]nnc2n1 1816671946 WWOHQVHHRTXULW-GPXNAGAYSA-N 426.821 0.029 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820880986 KXAGLMLCYVTADM-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1 1822416578 IJOKBILJCGYQHK-HNNXBMFYSA-N 431.501 0.457 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826083073 JJZJLNAQKAHSCW-ZDUSSCGKSA-N 447.565 0.713 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829557896 UMILACJZIDQBFE-CXAGYDPISA-N 434.276 0.110 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830366221 LIFRPEALFJLNST-KBXCAEBGSA-N 436.958 0.285 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830534942 FKEXETLVKJHQOG-XSWJXKHESA-N 435.359 0.881 50 20 ICGD O=C(c1ccc2cnccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728275 RIAVQBWEKXWJMM-XLIONFOSSA-N 434.880 0.300 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)no1 1831871126 NNEYHWDJCVJMSH-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1)C(=O)O 1834421918 VCUUFHDOIWYQSB-HNNXBMFYSA-N 447.374 0.406 50 20 ICGD O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834871122 WPEVFZCRFBFPOK-UHFFFAOYSA-N 427.347 0.635 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835684141 KJDOJGZYHOCSTL-CYBMUJFWSA-N 443.850 0.263 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837242061 BQCAQTDBUIGBIJ-HCXYCLFGSA-N 443.393 0.838 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ncccn3)CC2)CC1 1837501435 KZCHEHGXBFCGOD-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642805 MHNHYBCPHJMRGS-PXAZEXFGSA-N 443.298 0.013 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105944 HGOBOMHKNGDUMZ-OPYAIIAOSA-N 445.004 0.486 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839143225 PMIMQNIPAKECFD-XIKOKIGWSA-N 426.857 0.262 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839949970 SQMFJRJNHKHZGO-VPWXQRGCSA-N 426.897 0.510 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033273 ZPFPYUAYSRCPRX-SJKOYZFVSA-N 446.298 0.674 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1840154783 GMJUECXZQXBDBL-APWZRJJASA-N 428.917 0.279 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014825 GGIJXIXKUYTMSX-UHFFFAOYSA-N 428.294 0.117 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105245 PMFQLSQEBLXNFI-KKUMJFAQSA-N 445.944 0.814 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847499484 ZCRAXGFQZGYGMD-AGIUHOORSA-N 434.294 0.936 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848070889 MVHOWNMMUJNAMK-YTPRYADDSA-N 443.410 0.625 50 20 ICGD O=C(COC(=O)CNC(=O)c1cc(F)cc(F)c1)NNC(=O)[C@H]1COc2ccccc2O1 728333039 HUAXHDLDLKOLFD-MRXNPFEDSA-N 449.366 0.225 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)CCCc2cccs2)cc1 732548939 QVVMWTFMHWRTDL-UHFFFAOYSA-N 425.488 0.895 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734240811 ZRGQRSRXDILJDT-UHFFFAOYSA-N 440.501 0.342 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 743507042 CLNHSGFORJDNKH-UHFFFAOYSA-N 447.477 0.133 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 743512636 XPNZVSWIFIOWTC-NZSAHSFTSA-N 446.471 0.763 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 744618294 SXQMMWUGACFTAW-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 744735116 RPNGOMZWCOLYHM-UHFFFAOYSA-N 449.485 0.226 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)c1 746310244 OUFPQCGLNVPGRX-UHFFFAOYSA-N 434.412 0.438 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 746623538 MVMOKEMCSUNICN-CQSZACIVSA-N 436.450 0.998 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 751208505 FJFDIWGIXDEVFF-SNVBAGLBSA-N 449.420 0.726 50 20 ICGD COC[C@H](C)n1c(SCC(=O)NNC(=O)C(=O)NC(C)C)nnc1-c1ccccc1 751302415 JBHUTOZTXJNZLQ-ZDUSSCGKSA-N 434.522 0.917 50 20 ICGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755913638 SQMGKYZUVGFXIX-LLVKDONJSA-N 436.412 0.875 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 756831307 NIFMGUMNNWOJMV-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNc1ccc(C(N)=O)nn1)C2=O 757403623 DHJOARQTWRPSQO-UHFFFAOYSA-N 431.497 0.936 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)c1 758822318 QHFNWKLOSRNGGI-CYBMUJFWSA-N 428.449 0.647 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 763001990 MWTKHBQVLWEPTF-AWEZNQCLSA-N 448.501 0.296 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763680608 FSDVNAUYIPTLCM-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763879092 WTGHLDZBIYSUJJ-CYBMUJFWSA-N 437.416 0.418 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(F)c1 763949370 ORJMNSPRYXUZOR-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CSc3ccccc3O)ccc21 764042380 GXWFIAMOTUETRX-UHFFFAOYSA-N 442.497 0.971 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 764125018 QEZSPOOQBPRORL-UHFFFAOYSA-N 442.472 0.881 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2C(F)(F)F)C[C@@H](C)O1 764211916 MQZVHYPAIJWSMI-TXEJJXNPSA-N 445.442 0.967 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764263544 GXTBFXCIAKJXBD-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 764427863 DEJCIWPLMCYHTM-LBPRGKRZSA-N 428.232 0.680 50 20 ICGD Cc1cccc(-n2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)nn2)c1 765732701 JTHZIORDLMATQJ-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 769236191 CKZGWMFZOAEUFM-KDOFPFPSSA-N 442.563 0.936 50 20 ICGD CCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771254172 VRQZJRIKRLTOSK-MRXNPFEDSA-N 426.271 0.957 50 20 ICGD O=C(NCc1nc(COc2ccccc2)n[nH]1)NNC(=O)c1ccc(-n2cnnn2)cc1 771378673 QRUMZPDHVBSFDS-UHFFFAOYSA-N 434.420 0.504 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(I)cn2)cc1 773541852 MUJVQDWXZCHISA-UHFFFAOYSA-N 435.181 0.958 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1F 773891006 YCNGMVQMJDSIAR-UHFFFAOYSA-N 434.449 0.856 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 775669895 SRYISZMSROIOJY-UHFFFAOYSA-N 443.503 0.339 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 779336997 GXXAFTJXUPVIMT-ZDUSSCGKSA-N 433.477 0.738 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc(OC)c1OC 779578570 KVMAFCNSGCTCBF-HOTGVXAUSA-N 430.417 0.444 50 20 ICGD O=C(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCC(F)(F)F 779640752 HWUXULNWWZGZLM-UHFFFAOYSA-N 436.412 0.301 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(Cc3noc(C)n3)nn2)c2ccccc2c1=O 781864904 GNYDAIMIYNNXCI-UHFFFAOYSA-N 437.420 0.213 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4nn[nH]c4cc3F)cc2)CC1 781919782 JXVJDBYCPBHUSM-UHFFFAOYSA-N 433.469 0.790 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Br 782460635 BMKGYRBHQHVSPX-UHFFFAOYSA-N 442.675 0.635 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cccc(C(=O)OC)c1)CC2 784852528 VKIIGAHPRXKSSU-UHFFFAOYSA-N 446.485 0.804 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCN(CC(F)(F)F)C3)cc2)CC1 792267421 KOIQPLYILPLDPU-CQSZACIVSA-N 449.499 0.950 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1 794763846 LKDKYOQBZOKZCY-UHFFFAOYSA-N 431.474 0.755 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c(OC)c1 797430574 LWGKINWKDFDWIL-UHFFFAOYSA-N 437.430 0.667 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@@](C)=O)CCC2)c1 798121157 SCTCRJPJXHEJNT-MUUNZHRXSA-N 444.579 0.962 50 20 ICGD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CC(F)(F)F)cc1[N+](=O)[O-] 810179274 LRSJOZBGGJFOCU-UHFFFAOYSA-N 441.388 0.793 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 811399556 OLZXODQBAUQEDJ-UHFFFAOYSA-N 441.428 0.920 50 20 ICGD COC[C@@]1(CNC(=O)NNC(=O)CNC(=O)c2cccs2)OCCc2ccccc21 811871327 DQRLPYXIABBHET-HXUWFJFHSA-N 432.502 0.923 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)cc1Br 815564816 UBTBWQVECMZKML-UHFFFAOYSA-N 435.296 0.813 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 815691940 GAFJONRERPCEAD-CQSZACIVSA-N 444.455 0.966 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1nnc(O)c2ccccc12 828103425 LWBDWZYUZLARIS-GJZGRUSLSA-N 425.426 0.801 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=S)NC1CC1)N(S(C)(=O)=O)CC2 916125545 OXOVPXFDOICTNU-AWEZNQCLSA-N 442.563 0.610 50 20 ICGD O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NNC(=O)c1cccs1 917125622 NWJUKJDHCNCTME-UHFFFAOYSA-N 427.530 0.716 50 20 ICGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918100321 YAOKUWWUVREHNG-CQSZACIVSA-N 437.522 0.426 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3n[nH]c(O)n3)c2)cc1 918286954 SDBHSLDHOXSNBR-UHFFFAOYSA-N 432.418 0.395 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 920379202 PTDZMSRDMNXLDA-CQSZACIVSA-N 444.535 0.322 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1337489974 OYBYJZJJNCZYNB-UHFFFAOYSA-N 425.555 0.452 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1778236920 SSXICDIUVHHEBE-AVYPCKFXSA-N 445.944 0.673 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1779037357 WWFBEBSWPWQITN-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779527724 RLULWHSFDVDUFZ-HBUWYVDXSA-N 430.343 0.976 50 20 ICGD COc1ccsc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779844881 LEZGLLVOGMCLAO-HXUWFJFHSA-N 430.291 0.194 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780949917 IVNUTNIZQDYJRX-HXUWFJFHSA-N 431.569 0.953 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1781597400 XCVZJLBYMSVMDF-QDQQSUIJSA-N 447.486 0.672 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212018 BWNDIMAEHYEHMH-DYESRHJHSA-N 432.525 0.286 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)n1 1788731329 HVLUZCJAVCRRFO-RZLSGREXSA-N 428.892 0.801 50 20 ICGD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791606444 CXWFIWZVABXMIT-QEPJXDKJSA-N 449.316 0.458 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)F 1795405244 MQQLGYMQPMEFIO-IGRYJHFFSA-N 429.399 0.662 50 20 ICGD Cc1c(F)ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1N 1795703513 RJBIFJKZBZCWHF-VTEUUUEMSA-N 435.500 0.293 50 20 ICGD CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441331 ZLRWAQPTRPVTKC-POKDIBPUSA-N 442.476 0.574 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)OC(C)C)C2 1796441926 HFBOLVCWRLOREY-GLPAEGGISA-N 433.509 0.524 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCCO2)c1ccc(B(O)O)cc1 1797308394 BAWDAAXYCPHXPO-REPLKXPHSA-N 436.273 0.703 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1800077781 JLMCZEULIGNXEM-LOUJCGABSA-N 440.393 0.591 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366723 GNFBOPMTTWYGMG-RPTXYRIKSA-N 445.288 0.518 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807802580 OMMKRHHAAGZLPP-KDOFPFPSSA-N 449.475 0.140 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970910 DGCUTPIHZDUNPF-MFKUBSTISA-N 437.305 0.923 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293248 BHAUMQCKPZRMQU-MAUKXSAKSA-N 440.504 0.825 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CCCOC1 1814155996 XTDOCGDEQRUVFG-QKNQBKEWSA-N 437.305 0.508 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468001 ALULLFQBVQGWMZ-GWCFXTLKSA-N 448.871 0.700 50 20 ICGD Cc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817473536 ZJAQZNZDUKAAML-GOSISDBHSA-N 434.265 0.808 50 20 ICGD COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)n1 1817608848 QTLISMLMDPSZHX-MFKMUULPSA-N 427.914 0.812 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1824185558 YKHOSPZGYWWBHM-QRQLOZEOSA-N 429.005 0.842 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 1826089640 JLNZYUZCIMUFLM-BHPKHCPMSA-N 435.550 0.996 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCBr)CC2)C(=O)N1 1826353002 JZYOSHIBLDJSBL-AWEZNQCLSA-N 443.342 0.943 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829786886 FUXWGXALSCDRLU-QFIPXVFZSA-N 438.569 0.808 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1830537384 GCKPDQHCVMDJNY-KSSFIOAISA-N 434.375 0.862 50 20 ICGD O=C(c1cnnc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728030 NJFAFFQIPLUYDD-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831346177 SDYSGRYKMZQWQG-SIKLNZKXSA-N 447.919 0.833 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832522493 FNVUDBDJMFQVMV-CVVKJMNTSA-N 432.945 0.495 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1833203593 RBZMCAUQAXSXCZ-TXPKVOOTSA-N 428.917 0.229 50 20 ICGD CCOc1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cn1 1833308323 RVUKPXGTPDDZTE-QGZVFWFLSA-N 439.944 0.660 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238351 BOGYTJCVEXFHBZ-CXAGYDPISA-N 429.315 0.664 50 20 ICGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c[nH]1 1834799960 IQHGEMRWQHIIAI-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834807428 DPYALALBVOFFQO-LIRRHRJNSA-N 433.933 0.985 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C1(O)CCC1 1834820057 LMKRTIMVWAFKJW-YOEHRIQHSA-N 433.343 0.779 50 20 ICGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834933567 ONHFJDVCVGYPKA-AWEZNQCLSA-N 431.310 0.989 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493343 AHWAKSMWSSKSEI-DYESRHJHSA-N 442.940 0.395 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784512 NVQOFYADINSENB-MNQDVBFDSA-N 442.476 0.219 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838346696 YRWWBYXBYOYZCM-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155489 VIWAIAGYVIAAJM-HZPDHXFCSA-N 426.297 0.035 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200091 DVBLBHDYDIJFNX-GQJMBIMPSA-N 449.321 0.605 50 20 ICGD O=C(c1ccncc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201075 VKYFPOJCNNJZBI-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840151741 MWKLVFFHBLOVRG-XLIONFOSSA-N 425.913 0.724 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)nn1C 1840154031 IOYWNBXGDHDACF-HNAYVOBHSA-N 428.917 0.306 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354288 RBSHMHKNHNGMGF-QWHCGFSZSA-N 429.901 0.716 50 20 ICGD COc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415648 WEKARECOYRGFSU-LPYMAVHISA-N 427.465 0.380 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844792863 ACIWNOQRRMSTTJ-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1846803300 AWEPKKWOQZUPTM-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD O=C(CCBr)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848213671 FQYRIDOXJJJCAU-BPNCWPANSA-N 439.310 0.980 50 20 ICGD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C1 725870888 CRZQPGHQLCLTEH-HNNXBMFYSA-N 442.476 0.242 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 726236662 LVXFQAQEYMCNAF-NSHDSACASA-N 439.519 0.478 50 20 ICGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cc(F)ccc1N1CCN(C)CC1 726279055 NVYCLQPEAAUCTP-AWEZNQCLSA-N 446.483 0.992 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 726662577 CAXIYXOSFNFLBV-KRWDZBQOSA-N 426.385 0.877 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc12 728509631 JQLMDYPKZYVUTO-LBPRGKRZSA-N 429.520 0.874 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Cn1ccc2ccccc21 729451127 IVHZJJVPZVEWOO-UHFFFAOYSA-N 443.441 0.044 50 20 ICGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729615098 XEBCARXOVCLIEL-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)C(C)(C)c2ccccc2)CC1 731222487 ZMJHFCDLCUJUKT-UHFFFAOYSA-N 425.555 0.909 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732467860 YAPAXVGQJPWQEY-BQOWYSNXSA-N 431.449 0.709 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CCc1ccccc1 733043704 QDKZEJHGZRLBIS-UHFFFAOYSA-N 434.518 0.763 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)n[nH]2)cc1 734685945 IKXRMKYBQCATTP-GOSISDBHSA-N 441.536 0.736 50 20 ICGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117961 KGRDNNOURVTFAY-CVEARBPZSA-N 441.554 0.435 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 743829326 LYRMJIGKDXJLKX-UHFFFAOYSA-N 425.467 0.353 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 744383941 AEBLGAQSDWOFNF-UHFFFAOYSA-N 449.533 0.757 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 744423736 LSDJLUZVCRQVAE-UHFFFAOYSA-N 449.489 0.575 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 744542516 PANTXNABMTZXPF-UHFFFAOYSA-N 442.815 0.941 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cn2)CC1 745418123 PXKOITZNKOENCA-UHFFFAOYSA-N 429.437 0.591 50 20 ICGD Cn1cccc1CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 745925423 LRCZQUZWBOCCKA-UHFFFAOYSA-N 449.533 0.509 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(c2cnccn2)CC1 746616144 MFBGDKDXTZGOKJ-UHFFFAOYSA-N 446.533 0.857 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCNS(=O)(=O)c1cccs1 747436913 ABXMSGHVXXGOAG-UHFFFAOYSA-N 443.463 0.344 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cc1 748553801 SVKXNDGFLQODKQ-UHFFFAOYSA-N 441.263 0.496 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 753475333 RYSICOUJNKNZHM-INIZCTEOSA-N 438.396 0.078 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 758840953 VAJMLEVUJBWRIB-FRRDWIJNSA-N 433.490 0.074 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1 763557656 CRJIPXBEOLVNQR-UHFFFAOYSA-N 431.405 0.310 50 20 ICGD COC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 763572502 RUNPHQFEUJLOAI-OAHLLOKOSA-N 432.364 0.930 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 763797116 QCKOZCOSDPHLOY-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)cc1 763873788 YNUROWSJBYXFSG-ZDUSSCGKSA-N 426.429 0.850 50 20 ICGD COc1ccnc(NNC(=O)Cc2ccc(CC(=O)NNc3nccc(OC)n3)cc2)n1 763901287 MZLAOFBHCFLLTJ-UHFFFAOYSA-N 438.448 0.655 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C 764136375 POPOFFYWLOYBNM-UHFFFAOYSA-N 427.461 0.564 50 20 ICGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771845436 KJHVRWSRVJQRPJ-AWEZNQCLSA-N 426.539 0.635 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCS(=O)(=O)C1 783427818 QIHIGKSBRLTVNZ-KRWDZBQOSA-N 428.417 0.973 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 784170181 BTZGBAXAESJBFU-INIZCTEOSA-N 427.461 0.991 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786417298 OXDGEEDDIWZDNV-CYBMUJFWSA-N 449.512 0.666 50 20 ICGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 788890244 NODQXXFODYBGLT-ZDUSSCGKSA-N 425.511 0.282 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](COC)[C@@H]2CCCO2)c1 789336188 VHHOXSBSYOXEBF-IRXDYDNUSA-N 442.538 0.855 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2COCCN2C2CCCC2)ccc1Cl 792811014 UMRRGAJMFKZVGB-CQSZACIVSA-N 430.914 0.392 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 792894024 OZAQVRNDLNKKMU-FQEVSTJZSA-N 441.444 0.718 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1COCCN1C1CCCC1 793589891 HNBOEXDORVCZSA-GOSISDBHSA-N 438.550 0.794 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 794077443 WCMJLPOTXNQADI-UHFFFAOYSA-N 447.517 0.552 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 797368680 FTSKMRBQNPWOTD-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 797534920 GVCJZNXGYWOSFJ-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 799120131 JJNLGIASKUVUQN-UHFFFAOYSA-N 432.418 0.081 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)c1 800628432 YKDZQCODTJJPMV-UHFFFAOYSA-N 440.485 0.286 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802105099 QIYLMVHKOFCSNP-UHFFFAOYSA-N 427.329 0.772 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccnc2-c2cnn(C)c2)cc1 813033860 OKANWWCXAAZJGU-UHFFFAOYSA-N 443.489 0.814 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 815778163 FPFRYYOFMPRKCU-CYBMUJFWSA-N 428.367 0.793 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 817276276 XEFPCXSJKHWJTF-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 879493128 IVGKWVWNJVXCIO-UHFFFAOYSA-N 425.401 0.924 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 914775939 ZHGZSBIXXCUHQQ-UHFFFAOYSA-N 437.474 0.794 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 916830405 VYLVKHDCPLOPFI-HRCADAONSA-N 446.529 0.988 50 20 ICGD CN1CCN(Cc2cccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c2)CC1 1325024156 RPRRGKWHFXLFKA-UHFFFAOYSA-N 434.541 0.789 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2cncn2-c2ccccc2)c1 1325567292 MDOMOSYTJPODLM-UHFFFAOYSA-N 429.458 0.903 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777783985 CJRVFDYWJKXJFQ-LIRRHRJNSA-N 436.900 0.438 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1)c1cccnc1 1778023861 GUZKUZONYMLCPX-IDHHARJASA-N 426.876 0.860 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1778786597 ADAAEVUODNSODE-XHBSWPGZSA-N 436.303 0.054 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)CCO2 1779035004 ZLDMUPZZWZJOPI-IECBHUPTSA-N 449.511 0.932 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1779125568 CKYQEPFHCYQPRW-SJCJKPOMSA-N 443.298 0.326 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779339464 JZVHJHUMSYXKOY-DRSNIGMVSA-N 438.569 0.446 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1780715928 VRJWCVGHKOMKET-ZNZDAUKMSA-N 446.331 0.662 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780936878 ZSLAVRPHFWLCRC-GUYCJALGSA-N 430.889 0.256 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783349686 RFHUGFLPWKNIRF-QAPCUYQASA-N 431.375 0.237 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1783935630 AUOORXCMBYPPOF-HXUWFJFHSA-N 437.472 0.046 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784083583 CJWIMMPSDIFMMR-YXMSTPNBSA-N 447.960 0.727 50 20 ICGD CC(C)Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n(C)n1 1784089404 BAZVTPNWXUYEKD-PLYYQAHHSA-N 426.945 0.812 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(O)cc3O)C[C@@H]21)[C@H](O)CCl 1784092517 JITLKNOOYGTILN-NAMSACQYSA-N 433.288 0.944 50 20 ICGD COCCOCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1787832925 HAGUNAFDRIQLDO-UHFFFAOYSA-N 426.278 0.777 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788764076 IUKUBJMYYPAUIB-BZSNNMDCSA-N 427.618 0.540 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1O 1790013759 LXNGVHUEYIPXML-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1792867687 JDAFNXHJLQHFNL-ADGXKJENSA-N 428.283 0.727 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796892097 HCRDEENEZMUYGZ-DTJBLMBLSA-N 430.509 0.625 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1797956922 NTMUWUGPNKQSGN-FVCICTRLSA-N 445.548 0.876 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1800979206 WMEMXMITJXOQGQ-NOXHYTERSA-N 436.896 0.736 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801509789 QZOCGQUJYASRQA-QMHWVQJVSA-N 445.944 0.745 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803035181 SHPIBDRIAOGUBZ-LVQVYYBASA-N 438.488 0.799 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1803510317 WSHWRNSPMSARTP-UQOMUDLDSA-N 434.921 0.950 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804424994 JZUUESMUQPUEOT-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n(C)n1 1805638023 KDOFCLBFDRPPOF-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1806048296 XUNYBCJKZBZQER-MRXNPFEDSA-N 444.598 0.271 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807522102 RDMNZIDDVMHKPY-DYESRHJHSA-N 449.276 0.015 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1812864185 NVBMYTQSRSPZTA-ATVPRXPUSA-N 440.342 0.464 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071904 VXXFPOCIDKLKRQ-XMSQKQJNSA-N 432.569 0.849 50 20 ICGD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1813456425 BRADMECEYGGEMV-UGKGYDQZSA-N 447.304 0.057 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816802029 PPQZMYXODJGGPN-HNNXBMFYSA-N 443.464 0.667 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnn3c2CCC3)[nH]n1)c1cccc(B(O)O)c1 1817476671 AQZCANRNHLHXSV-IBGZPJMESA-N 448.292 0.852 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1817738439 WNPFOHMXNBMQRE-CQSZACIVSA-N 437.290 0.461 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972476 NXTOZRRRDFFMIB-GJZGRUSLSA-N 428.917 0.412 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1825357554 QDBYAIGZWUWRTB-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713503 OQPRFRGFKOFKTE-LJQANCHMSA-N 445.658 0.343 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1830533247 IQPAGVFPVLONMW-DNVCBOLYSA-N 446.386 0.816 50 20 ICGD COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736968 YWMYSILRSCJXSP-OXQOHEQNSA-N 426.897 0.294 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833221473 SSTBKEURWDKNDN-LJQANCHMSA-N 442.513 0.330 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504478 OWKFIJFSGZHONI-ABAIWWIYSA-N 437.360 0.100 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835680602 MXILDUBOOIPUTD-CXAGYDPISA-N 449.321 0.415 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931292 LSRNLYQLFRUMIE-QFIPXVFZSA-N 430.310 0.183 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715947 STUOHRPCRZNKID-JVVYVMHDSA-N 427.574 0.334 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376669 HLXLNUBXSCPXSZ-MEDUHNTESA-N 429.271 0.036 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839142172 IIIXPHNEZDGWGM-WMLDXEAASA-N 429.861 0.265 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1=O 1839198320 BZXZEUGORJHGFJ-DYVFJYSZSA-N 446.273 0.146 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839684919 YJDQEJOMDRAYNH-KXBFYZLASA-N 446.573 0.856 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839964553 VMIWCRVNOZENGY-CXAGYDPISA-N 445.314 0.550 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn1 1840186333 JNOSVVOBOYWMNQ-KRWDZBQOSA-N 433.292 0.749 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840196066 NIDYXPZHCHRGKE-BBRMVZONSA-N 439.372 0.342 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840265101 LBTMXJJAKHFJEY-XLIONFOSSA-N 426.897 0.381 50 20 ICGD C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1)C(=O)O 1840835875 MCYNBBCXBVSXIG-CRASNYAKSA-N 433.299 0.505 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1847499705 MKUFPPSQTXECKR-ICCXJUOJSA-N 445.339 0.685 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563820 LXZZJBFBARPXNR-SLARRSDRSA-N 445.944 0.548 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728855876 DJOPQPNZYVFFCD-UHFFFAOYSA-N 425.492 0.551 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(OC)c1 729951816 VBBYHWRZBVOUSQ-UHFFFAOYSA-N 430.373 0.799 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccc1OCCC(C)C 730515514 NSMNBRWNNFQCMA-UHFFFAOYSA-N 428.449 0.966 50 20 ICGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC(=O)C1CC1 730569020 JGVAPOVHSZZAKE-UHFFFAOYSA-N 447.473 0.045 50 20 ICGD COc1ccc(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1Br 731934530 DBBNSAGLHFECDV-UHFFFAOYSA-N 435.238 0.908 50 20 ICGD O=C(NNc1ccc(Br)nc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 732838794 ZPWZSNYOXRLPAE-SNVBAGLBSA-N 430.284 0.453 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc2ccc(S(=O)(=O)N(CC)CC)cn12 735414647 QMGLNWITMVWTCC-LLVKDONJSA-N 428.540 0.798 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cnn(C)c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 735446390 UJDXRUSJDZQXRW-UHFFFAOYSA-N 432.485 0.967 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 740851948 CTPYBWVONKPKED-UHFFFAOYSA-N 442.523 0.348 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 741143005 CGDYGIGWOFOZCL-OAHLLOKOSA-N 447.451 0.696 50 20 ICGD CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NNC(=O)c2cnn[nH]2)cc1 742640640 TYSUCZQYMRNXHZ-UHFFFAOYSA-N 432.487 0.939 50 20 ICGD CC(C)CC(=O)NCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 743418940 IPWMXZOBLVBNLI-UHFFFAOYSA-N 426.543 0.013 50 20 ICGD CC(C)Nc1ncccc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 743419856 OCLCVTFUNPMIMX-UHFFFAOYSA-N 433.538 0.990 50 20 ICGD CNC(=O)NNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 746160232 YJUSTRISUYCBQX-UHFFFAOYSA-N 439.263 0.183 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 752525256 XKYGSPRUKZSNRK-UHFFFAOYSA-N 434.474 0.516 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 755266339 ACRKRRWHHWZALG-LLVKDONJSA-N 427.479 0.874 50 20 ICGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1 757864888 BVCPKVBOOVGNOV-UHFFFAOYSA-N 426.437 0.386 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1C 763278148 JDEXVZJRFYJUOU-UHFFFAOYSA-N 437.499 0.581 50 20 ICGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)C1CC1 763563103 YLKMKGBOSNXXOD-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cc12 763694104 FJMNWRNCLBPUAP-UHFFFAOYSA-N 430.808 0.480 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 763775176 MOVXQVVPXSQXDV-UHFFFAOYSA-N 427.417 0.294 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OCC(N)=O 763782243 AHRSMQUADQCQTB-UHFFFAOYSA-N 432.458 0.509 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 763889048 VNAHBBQVENOALX-KBPBESRZSA-N 440.522 0.617 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)CC1 764026039 TZFLNBCYZQPCTA-UHFFFAOYSA-N 443.529 0.741 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 764213212 UNIOVYWTHCHRAC-CYBMUJFWSA-N 434.497 0.111 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)C(C)(C)C(=O)N2 764813224 VMEAYQKASSGJSK-UHFFFAOYSA-N 437.460 0.204 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 765119877 SIAKZYNVGJOVPU-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n1 765240361 HSNIVNPGNFBREY-UHFFFAOYSA-N 437.356 0.865 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)C1CCOCC1 765384981 KMSAEAAIKXXCRQ-GFCCVEGCSA-N 431.536 0.553 50 20 ICGD C=CCCO[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635661 BTOJPHKGTAZJPJ-QGZVFWFLSA-N 438.550 0.430 50 20 ICGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643925 MOBWHRHZZISNQT-GOSISDBHSA-N 429.521 0.383 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3C(=O)NC(C)C)CC2)cc1 766650527 VIJHNVQDPACFHJ-FQEVSTJZSA-N 444.580 0.842 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCNS(=O)(=O)c1cccnc1 768635337 ANOCYPLCDXELMY-UHFFFAOYSA-N 428.492 0.305 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 771923991 ZMJNESXRYUJSGO-NSHDSACASA-N 434.902 0.529 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 772130589 ATKDNOBRPGTFRW-CZUORRHYSA-N 443.460 0.888 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 776861084 RWOHJSNIJFYBRT-UHFFFAOYSA-N 449.484 0.834 50 20 ICGD COC(=O)Cc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 779380408 UUYFVNMIAHMRCJ-UHFFFAOYSA-N 447.517 0.490 50 20 ICGD Cc1cc(C(=O)NCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 782569412 WAMOWOKMWHBPGB-UHFFFAOYSA-N 434.430 0.498 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ccccn1 784794748 PLCDNZDIZIQLSM-UHFFFAOYSA-N 449.489 0.583 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 786417180 NZOYGCBLQZPHIA-UHFFFAOYSA-N 431.434 0.448 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCc2ccccc2)c1 800623146 HXOWWCCNRWKKQW-UHFFFAOYSA-N 439.472 0.271 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 808111074 GWOFIGOKUPCGAZ-UHFFFAOYSA-N 442.494 0.054 50 20 ICGD NC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OCC(F)F)c1 810305148 GZBMSQJOYBSPRU-UHFFFAOYSA-N 446.374 0.872 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778481 SXNHWNBTWRKFFO-SWLSCSKDSA-N 426.495 0.169 50 20 ICGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778697 CDWXXHCVWXRETO-LLVKDONJSA-N 432.202 0.640 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1 912921095 KVPGYQJOQKJPRT-HZPDHXFCSA-N 438.550 0.731 50 20 ICGD CN(C)N(C(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 915283247 XMRGEEKLKBAODW-GFCCVEGCSA-N 446.323 0.667 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N[C@H]1CCS(=O)(=O)C1 919884457 JBKAHOQYCONDDK-LBPRGKRZSA-N 446.441 0.207 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1ccc(F)cc1 919884849 HOCADIXQFPIIBP-ZDUSSCGKSA-N 442.494 0.542 50 20 ICGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 920862472 JOYOFTZQFGNXIK-KBPBESRZSA-N 428.511 0.465 50 20 ICGD CN(CCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C1=NS(=O)(=O)c2ccccc21 1339479996 OTMNIEGRELXPER-UHFFFAOYSA-N 444.517 0.911 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779320003 SFSSWEPBVWRNEY-GRDNDAEWSA-N 434.331 0.141 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326549 QCWVIEQFLZBJDM-LRDDRELGSA-N 429.246 0.315 50 20 ICGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1783498394 QNLQKGJXJUBWLE-PWNZVWSESA-N 438.363 0.705 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979557 XSULQZBBIOLIMM-JBACZVJFSA-N 428.338 0.930 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccc1 1786986816 JYABDEYUCOPCQM-PWZKMPOXSA-N 436.317 0.763 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480336 QVMZQHSJNIULNA-RCWTZXSCSA-N 430.259 0.695 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CC3)[C@H]2C1 1788218806 CMIKVRCRWLXMBT-BPUTZDHNSA-N 440.227 0.302 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611316 UIAHZTQXIDEQGJ-FLKCQLHMSA-N 429.521 0.715 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1789641323 JUCIONRMJDQPOU-HNNXBMFYSA-N 435.289 0.805 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791281136 VFBITLZLHYWEKF-PLGIXQIDSA-N 449.342 0.613 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1791289057 GVFGTFCYZDTHFD-UFYCRDLUSA-N 426.517 0.391 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2)[C@H](O)CCl 1792974759 AOVOWSCAKRUULG-DJZPMSPPSA-N 446.287 0.980 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793106370 FWYFYFWGCAYMLV-KHMAMNHCSA-N 433.933 0.500 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1794036976 GRYCCZVZHDZXFT-BAESOJJISA-N 445.289 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2occc12 1795975110 ZCPWDLGKBPWBDD-HBCWATKFSA-N 429.477 0.404 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)C1 1799342493 JCAUIZKHEWOVRU-HUXGKSLCSA-N 435.290 0.856 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800642050 TYMDQCMXCIFLMQ-AYRXBEOTSA-N 439.310 0.783 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1801786129 JYYZRMBFPSOACT-UPHUGPLXSA-N 445.520 0.221 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1802333418 WDZYPIHPUSHAFZ-DKKFBQAASA-N 447.580 0.789 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364490 ITDQNSHBQACCQU-SIKLNZKXSA-N 436.321 0.177 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373348 CIQDCWVWLKNDRU-QKNQBKEWSA-N 437.305 0.508 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969705 ONPCDCGCPAIHCL-UHFFFAOYSA-N 438.337 0.794 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc2n(n1)CCNC2=O 1817117926 OSOFVIDNFBAPMF-MADCSZMMSA-N 426.861 0.843 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n(C)n1 1817470635 FRWSGNPAQAKRFQ-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnn1 1821720350 PBTAUVHATHRDEO-CXAGYDPISA-N 437.269 0.248 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnn1 1821720384 PBTAUVHATHRDEO-GUYCJALGSA-N 437.269 0.248 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200229 GGKVOBNTHCRTDK-GIEPYWIESA-N 439.432 0.624 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cccn1 1826092277 XEOXFZWPXROLAQ-OLZOCXBDSA-N 433.538 0.886 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cnc[nH]2)CC1 1828926810 SNNQDUKSQJYELH-IBGZPJMESA-N 439.520 0.884 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896997 PQRNAHQILWQJTL-LPHOPBHVSA-N 446.386 0.958 50 20 ICGD N#Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1F 1830733806 UACVCWGREHTLNH-FXAWDEMLSA-N 439.871 0.296 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1N 1835867903 OLJBBCKHSBOQRN-HNAYVOBHSA-N 429.876 0.386 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837269299 WQNACBLAVCIZST-SFHVURJKSA-N 428.921 0.041 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838069346 KZNYASLTGVKOEW-JKSUJKDBSA-N 432.949 0.686 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198151 VRCAFBSDQDXHSR-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839199734 SNSSUYSKPBBMPQ-HOCLYGCPSA-N 433.278 0.110 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839965812 LYCOQQVERQDSDG-ZTFGCOKTSA-N 432.359 0.758 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840031753 BIEWBESHNQLUMJ-DHSIGJKJSA-N 441.326 0.321 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840031863 DWINAEFMGOVRQI-QAPCUYQASA-N 432.359 0.712 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840156190 JTUGPTDOWIZGPI-VQIMIIECSA-N 427.885 0.040 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840177081 OPKIIUHUBFGESR-KYNGSXCRSA-N 434.917 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840185637 RBTFHYRCTGFXJX-JOCHJYFZSA-N 443.504 0.001 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CN3CCOCC3)c2)c1 110745626 AMAVKUCKXDPYME-UHFFFAOYSA-N 446.529 0.844 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 725740614 HMJKPODLAVULEE-ZFWWWQNUSA-N 434.449 0.139 50 20 ICGD COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1O 728330462 MJFRKODIEDCRRF-KOEDOTQGSA-N 428.397 0.945 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1=O 733126031 NSYYYKRCYIIBOZ-ZIAGYGMSSA-N 426.477 0.429 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2F)c1 739667517 OMWRGXNAZFHMRK-UHFFFAOYSA-N 426.451 0.571 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2c1=O 742034720 UIMJOFVUEJVHGX-IBGZPJMESA-N 439.447 0.907 50 20 ICGD C[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 742503465 ZFDZLMFEFIBYIB-LBPRGKRZSA-N 444.469 0.736 50 20 ICGD C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744386706 PIVCHCAMWSYTJC-QGZVFWFLSA-N 426.521 0.338 50 20 ICGD CCc1nc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1Cl 748232477 YSVUIAGOPLAXRX-JTQLQIEISA-N 426.886 0.614 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 750658191 BQLORUHGHYQIIX-UHFFFAOYSA-N 439.494 0.022 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cc(Br)c[nH]2)C1=O 752001041 YEQOCJYSAIJVLQ-ANRSDYALSA-N 427.259 0.442 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 763206917 WUARGXOENRHCQY-UHFFFAOYSA-N 425.326 0.610 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1C 763598105 UZKXQFSAPAYQNA-UHFFFAOYSA-N 444.492 0.534 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 763873255 UKZHVYYLMCEVJN-LLVKDONJSA-N 430.392 0.681 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c1 764242467 RFZKYMNUUFLTDL-UHFFFAOYSA-N 434.412 0.936 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764288053 CUOAFFJXRODSFF-UHFFFAOYSA-N 434.474 0.873 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 764398485 SRBCQEQAJKAVKL-NSHDSACASA-N 428.873 0.616 50 20 ICGD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764425412 PMXCKEJHPRZVSS-QGZVFWFLSA-N 448.476 0.213 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(-n2cnnn2)cc1 764932022 LVQHOHDATJEQFX-UHFFFAOYSA-N 439.457 0.121 50 20 ICGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765119135 QQSUAOMCCXORGL-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NNC(=O)C(C)(C)O 768245257 UHPJOPZJCQYXOT-AWEZNQCLSA-N 425.283 0.896 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cc([N+](=O)[O-])cnc1O 768292086 TWXCANAYVUESOF-UHFFFAOYSA-N 448.867 0.928 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 772995188 NPNFHBYONBDCKK-OBJOEFQTSA-N 443.909 0.290 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 773494421 RIQPIBLSXFKVIV-UHFFFAOYSA-N 433.424 0.828 50 20 ICGD Cc1sc(=O)n(CCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1C 777777503 KCXNPVUERZIQSN-UHFFFAOYSA-N 426.358 0.743 50 20 ICGD COc1ccc(NNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)nc1 781524909 BCIOCXINYRESSW-UHFFFAOYSA-N 433.490 0.700 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 783952743 QLAJKZZERSJWMO-OKILXGFUSA-N 448.505 0.665 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 784724853 WLGUVMYMJDMHDW-OAHLLOKOSA-N 429.502 0.919 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 785060654 JAPKKVNOQATEFG-UHFFFAOYSA-N 438.419 0.929 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786414898 UHGHIMJWNIUTFZ-UHFFFAOYSA-N 449.512 0.666 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNc1nc2ccccn2n1 791252900 PNJXEWVLBKCLSD-UHFFFAOYSA-N 432.462 0.702 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@H]1CCS(=O)(=O)C1 792855070 NYHYJEWFCDBUFT-WBVHZDCISA-N 433.534 0.907 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 792855371 QRLSBRSJXJRDOG-OAHLLOKOSA-N 442.270 0.154 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 794060684 NIWZFWPIVRZIEG-UHFFFAOYSA-N 425.401 0.577 50 20 ICGD Cc1cc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 797495512 FWFGYOBAPVGHJH-QGZVFWFLSA-N 445.384 0.813 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800630401 HINLIPHQNIRODT-UHFFFAOYSA-N 431.497 0.498 50 20 ICGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N=c1cc[nH]cc1 802028616 AHASUKGAAKFJSH-OAHLLOKOSA-N 430.490 0.954 50 20 ICGD COC(=O)C1(CS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CCCC1 809830934 JTVUATCOZSFYIQ-UHFFFAOYSA-N 447.373 0.349 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(N3CCNC3=O)cc2)cc1OC 812906375 BGPNYCZBXDBITQ-UHFFFAOYSA-N 442.428 0.851 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815567919 PVSYDTYBAMKJIM-ZETCQYMHSA-N 443.787 0.759 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCS(=O)(=O)C1 815590242 PETAWSGIQZLYIR-HNNXBMFYSA-N 431.312 0.858 50 20 ICGD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691952 GJGSGNVQLGYARG-VIFPVBQESA-N 448.896 0.742 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 818580936 QOXUJTDYGZZVQS-OAQYLSRUSA-N 443.435 0.861 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1OC 915906254 VFFTYFCGMJRBNI-UHFFFAOYSA-N 428.492 0.947 50 20 ICGD COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 916527845 BONGXPOMKOBMDP-IBGZPJMESA-N 442.424 0.971 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccoc2C)c1 916726097 BJFCEHQTZAVTAM-UHFFFAOYSA-N 436.490 0.810 50 20 ICGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916736349 KKYBBESLAVSOSK-UHFFFAOYSA-N 439.515 0.361 50 20 ICGD C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 917941445 RHVMPJCENZBXAS-SFYZADRCSA-N 438.325 0.211 50 20 ICGD CN(CC(=O)NNC(=O)c1cccn1C)S(=O)(=O)c1ccc(Br)cc1 918210896 YGGFLTOAGHGTJX-UHFFFAOYSA-N 429.296 0.869 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)NCCCOC)(c2ccccc2)CC1 920862088 NCBBRTQWYCSVRE-UHFFFAOYSA-N 426.539 0.737 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N1C(=O)CCC1=O 1318209627 GEQHVLFLIHESPB-AWEZNQCLSA-N 447.455 0.687 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1319892802 BKHKVEDCSNEDPT-UHFFFAOYSA-N 426.514 0.858 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3Cl)C2)C1 1779365689 JAUKUZRRZRNSMA-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)no1 1779696217 YCLHNSVOHMPXOJ-VSIOZEBNSA-N 442.476 0.815 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1780704639 NTXUVYCPNKKYQT-DBXWQHBBSA-N 442.988 0.682 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781347918 NYBKGKWOWZPELN-MRXNPFEDSA-N 431.331 0.117 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781998172 OWHVISCEPJMPKF-IPJQOSJUSA-N 433.347 0.731 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1783296512 ZPFDMCAXUPFYPT-DEOSSOPVSA-N 436.317 0.751 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)nc1 1787444008 IWJPWMSQCXWPCW-HQRZJTNHSA-N 433.889 0.613 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)C)C[C@@H]21 1787506849 QQDPRDQAUFOOSP-UKZVOZDVSA-N 433.509 0.117 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788562615 PWVIWOWLHSOJKH-MRLBHPIUSA-N 447.374 0.705 50 20 ICGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)c1ccccn1 1789922432 JQWARKBNZWNCHD-XSXPHNMFSA-N 429.290 0.752 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056322 SZSSXLVVQMUXNO-DGTMBMJNSA-N 433.347 0.457 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS[C@@H]1CCCCO1)c1cccc(B(O)O)c1 1798480119 QVHAGAXAZNOBKD-AJYBTWMASA-N 432.351 0.878 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800762606 FIYMRQDIAZSWFX-CKEKPRIKSA-N 430.221 0.038 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCN(C)C3)C2 1800979542 OUQGSWSEYMQVML-CXHZTBPHSA-N 439.944 0.176 50 20 ICGD Cc1ccc2oc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cc2n1 1801012975 IMNVIKOJELTAKP-USGNIVHTSA-N 443.504 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803452450 OUGUAIDHXNWOIL-UTKZUKDTSA-N 432.484 0.813 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803573470 BRDOGINPPCAPIN-JJRVBVJISA-N 429.926 0.593 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803820334 MFOQTHJXPKPWJX-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803939264 NFVKBOIXCWQCMK-HLAWJBBLSA-N 436.321 0.175 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804470750 AGRXJESKLMKJGD-RNJOBUHISA-N 431.921 0.425 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806697576 RGAFYQNTGDKUMS-GFCCVEGCSA-N 429.315 0.553 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1 1809972681 MYMZUYYVSAZWKZ-GOSISDBHSA-N 438.337 0.977 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1)CC2)c1cccc(B(O)O)c1 1815361611 LFDHYZOOVIFMQJ-DZGCQCFKSA-N 431.348 0.944 50 20 ICGD O=C(Cc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815969615 BJTJCGZUWSMYRH-SFHVURJKSA-N 434.265 0.428 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817330871 TYHFYSKQYVMCJE-GFCCVEGCSA-N 438.554 0.200 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](COC)NC(C)=O)sc2C1 1820198361 YBMNZQLBOILYBK-MDZLAQPJSA-N 432.930 0.460 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028308 GXPVXHCZBXLYGY-JSGCOSHPSA-N 446.346 0.472 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822697389 LWSBAOGFQZLREG-IHRRRGAJSA-N 444.001 0.945 50 20 ICGD O=C1CN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](F)Br)sc3C2)C(=O)N1 1823002782 RVMOHVDGWLSTGS-KSBSHMNSSA-N 448.274 0.297 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829539271 UOGIULXRTIEZEK-IBGZPJMESA-N 438.293 0.409 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C1(O)CCC1 1829740180 KJOVDXOTNMPXJZ-APWZRJJASA-N 428.602 0.845 50 20 ICGD C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551112 BPWBMHZQPAOULT-IFXJQAMLSA-N 429.901 0.208 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1 1833214755 MAJPVANJEIMSMV-MRXNPFEDSA-N 446.976 0.888 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1C[C@@H]1C1CC1 1833246905 LQVTXMKMCVZGLV-FGZHOGPDSA-N 439.365 0.598 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513327 BGXRAPQOXDAAAY-KSSFIOAISA-N 435.352 0.903 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1834087206 FSWZZYUIWGIKHW-SUMWQHHRSA-N 427.299 0.638 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242210 SYRYSPSYDGYEAF-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cnn1C 1834818954 GHVGVOWDGFLUNI-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD O=C(CSc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835087257 JXTAWYNJOFZRRG-QFBILLFUSA-N 428.938 0.835 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835372614 UWRNHJVZKSUDNZ-QFBILLFUSA-N 446.386 0.960 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1835707247 XQLKZTBZGIQWOT-MNEFBYGVSA-N 445.347 0.774 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939785 HVHPWASHNMILCM-FDDCHVKYSA-N 446.353 0.653 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836397651 MCRCTOMBECYSIC-QGZVFWFLSA-N 429.993 0.948 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)o1 1837711340 DZNYRDXVLGUZFV-SFHVURJKSA-N 426.546 0.228 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838766694 ZMCZDONMYGIUTL-MFKMUULPSA-N 429.758 0.428 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(OC)c1 1838878813 RJOAYHKLLZAVNV-OXQOHEQNSA-N 442.896 0.374 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198123 URGMQEYPSKOOCR-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198511 GBVCVBVXHQPJDD-XJKSGUPXSA-N 425.295 0.948 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840141299 CRRUGVPAIZPTIY-HRLGVUPISA-N 432.876 0.733 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn1 1840187602 MXHRLYTXRJXGKS-SFHVURJKSA-N 446.287 0.742 50 20 ICGD O=C(c1scnc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010937 WXLNMQOJKLXVLL-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(O)nc3ccccc23)C1 1843690670 WINMLKWMFROKBK-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845744247 DCXGTNJCUPIASJ-GOSISDBHSA-N 426.521 0.329 50 20 ICGD O=C1COc2ccc(Cl)cc2N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556083 CKJSBSGTVFAVGT-YDHLFZDLSA-N 442.299 0.867 50 20 ICGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 16098546 BITXLWVRXZHYKJ-UHFFFAOYSA-N 442.475 0.310 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17193345 LTXAHKSUEUDRDR-UHFFFAOYSA-N 445.457 0.190 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)c(=O)n(C)c1=O 18945214 OMJWKYWQEQDZHQ-UHFFFAOYSA-N 432.890 0.381 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCOc1ccc(S(N)(=O)=O)cc1 726379939 WTVPMFNHWLCJPJ-GFCCVEGCSA-N 425.438 0.857 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 729691233 KVYREMYYLFVQML-UHFFFAOYSA-N 432.531 0.809 50 20 ICGD CC(=NNC(=O)c1sc(N)nc1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816765 SFUUENFXYKHIRQ-UHFFFAOYSA-N 445.548 0.913 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)COc1ccccc1O 730779657 ICRXAUFLRMMFJI-UHFFFAOYSA-N 432.458 0.513 50 20 ICGD CC(C)(C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)S(C)(=O)=O 733127438 KAFSQMBTPSRFNS-UHFFFAOYSA-N 442.501 0.973 50 20 ICGD Cn1c(NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)nc2ccccc2c1=O 733263385 ZOWJHVQCKGTJGM-UHFFFAOYSA-N 442.501 0.873 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCn1c(=O)nc(O)c2ccccc21 734240305 NKHZQFMPQXCSRR-UHFFFAOYSA-N 434.453 0.347 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCNC(=O)OC(C)(C)C)CC1 735117712 GVAWDXKCYRGZAL-UHFFFAOYSA-N 442.542 0.376 50 20 ICGD CC(C)CCOCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 743356453 MWMJMIZZNRQFEP-UHFFFAOYSA-N 428.559 0.707 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(N)(=O)=O 743829488 RLGHZMFWNPJSRD-UHFFFAOYSA-N 426.476 0.512 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744538608 QGBISULDEAQRSC-VCHYOVAHSA-N 449.402 0.995 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cncc(NC(C)=O)c1)C2=O 746307036 MOCQWETVRYQGKJ-UHFFFAOYSA-N 430.465 0.692 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)c2cncc(NC(C)=O)c2)C1 746307400 UJPZKTSGOQGPRO-SFHVURJKSA-N 438.444 0.999 50 20 ICGD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)c1C 748247483 PYWJUANIFHHKKR-UHFFFAOYSA-N 441.488 0.978 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cc3ccccc3cc2O)cnc2c1c(=O)n(C)c(=O)n2C 749185125 PLCJGUFDHBYXLF-UHFFFAOYSA-N 433.424 0.874 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 750188354 HUWMCKOPJAEUFG-NSHDSACASA-N 441.487 0.428 50 20 ICGD CN(C)C(=O)CN1C(=O)C(=NNC(=O)c2cnccn2)c2cc(Br)ccc21 750933020 VQYXWFFXTWTGOD-UHFFFAOYSA-N 431.250 0.808 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c1 751202268 QIKHVZLZLTZKLR-OAHLLOKOSA-N 444.444 0.479 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 753464156 MLUGOTKYTSGFCJ-SNVBAGLBSA-N 429.890 0.861 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 755031511 CYZCPUUEEUGOMO-YOEHRIQHSA-N 443.412 0.394 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 756864576 ROAZLCRBKIPEQX-UHFFFAOYSA-N 430.486 0.904 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)nn1 757403607 CPRUQLRAJYOSFV-UHFFFAOYSA-N 432.487 0.872 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 758051975 ITOCQKJIMWZSOU-ZETCQYMHSA-N 428.345 0.235 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 758158717 OGSVRLPREZPOMV-ZDUSSCGKSA-N 435.930 0.827 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1nc(O)c2ccccc2n1 758308301 YXIGJIGHAYMKMH-UHFFFAOYSA-N 445.457 0.918 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccnc2)ccc1C 763494366 BDDVVFHWKSZPGP-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 763601344 YDCBSUWRVVOVEH-UHFFFAOYSA-N 448.501 0.796 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 763616954 QNOJQSPBBOYGDW-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790604 LAHJEFFUPKVDMO-UHFFFAOYSA-N 437.387 0.484 50 20 ICGD O=C(Cc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1)NNC(=O)c1ccccn1 763831902 PALYUQIOHWSKEB-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD O=C(NNC(=O)c1cnn2ncccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 765183743 AUFPBOVLWXBVAM-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 766660503 MVTGUMPSIXINQS-UHFFFAOYSA-N 444.923 0.673 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3c4c(nn3C)CCCC4)cc2)CC1 767962782 QYUSSMMJDNKSAY-UHFFFAOYSA-N 432.550 0.992 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 770356100 SGLAFCAXKYOOCI-ZFWWWQNUSA-N 426.495 0.219 50 20 ICGD C[C@@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)NC2(CCCC2)C1=O 770966579 SFTLUFSLJNPHGY-JTQLQIEISA-N 430.469 0.983 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 771985120 NJLFFUNIYDWUKW-NWDGAFQWSA-N 437.449 0.554 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccccc2O)s1 772632032 VGSGGQXPHUYOGY-UHFFFAOYSA-N 428.492 0.450 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1F 773723603 DHHXNCIFFOFBBL-JTQLQIEISA-N 448.411 0.388 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)n1 773730539 GMLQPFDRAMELDT-UHFFFAOYSA-N 434.478 0.625 50 20 ICGD CN(NC(=O)c1cnc2nc(O)nc(O)c2c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201091 DXKCZBVILJVZRB-UHFFFAOYSA-N 447.452 0.685 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 782834433 VVVUVKKIOQOOMX-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cc(Cl)ccc2Cl)cn1 783368032 OHFKSORZTKMAPE-UHFFFAOYSA-N 442.307 0.950 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1cccc(F)c1 784000180 PQUFMWIPLYPPQH-UHFFFAOYSA-N 430.440 0.672 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)c2cccc(OC)c2O)n1 786735812 XMLGMHUVSHHIQK-UHFFFAOYSA-N 425.467 0.807 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 786767587 TZMAWKVGWZDDJQ-JSGCOSHPSA-N 447.366 0.220 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]cc2-c2ccccc2F)n(C)c1=O 787439259 ILXYZYWCFDCTKP-UHFFFAOYSA-N 439.407 0.029 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 788166569 QAEGJRCCLAMFDR-UHFFFAOYSA-N 433.206 0.801 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792014104 FQFBQMLSSPULND-SFHVURJKSA-N 443.378 0.853 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1O 794597700 XFQFIDGUGBAJHZ-UHFFFAOYSA-N 437.430 0.415 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 794783125 DAXKSFZURVYLJK-HNNXBMFYSA-N 431.453 0.449 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 795276152 KZWRSWCQBJHACL-OAHLLOKOSA-N 445.563 0.852 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)cc1 796067276 XTEXTGNCATYFNJ-UHFFFAOYSA-N 444.350 0.881 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccn1 797367917 FHNJJDFJWOCNGG-UHFFFAOYSA-N 429.433 0.881 50 20 ICGD C[C@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797369302 SFEWHBHBZZJUEA-CYBMUJFWSA-N 428.449 0.866 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc2c(C)nn(C)c2s1 807975733 FWFOQQHJGYNXMO-UHFFFAOYSA-N 428.478 0.231 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 810812333 FCYCPFXAOHSDKN-UHFFFAOYSA-N 432.474 0.556 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1C 912921753 VYLAMRXSXTWLBR-HOTGVXAUSA-N 426.539 0.228 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1OC 913081409 NNDVDOAWPUHTOA-OAHLLOKOSA-N 429.408 0.724 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 914800938 DNOGUXPHIFYUNK-RDTXWAMCSA-N 445.472 0.698 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cc(OC)cc(OC)c2)s1 916232615 KTZLPOWQMUJMJU-UHFFFAOYSA-N 428.492 0.818 50 20 ICGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2 916645343 SAHAHFPMVFFLHM-UHFFFAOYSA-N 434.474 0.521 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C)Sc1nnnn1C1CC1 918420623 IOIWHWXKGKUISL-SNVBAGLBSA-N 438.539 0.551 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 918550829 MNUHZIXUQRESII-JKSUJKDBSA-N 437.518 0.276 50 20 ICGD O=C(CCCOc1ccc(I)cc1)NNC(=O)C(=O)NC1CC1 919808053 OUSZBSVOUBKRIK-UHFFFAOYSA-N 431.230 0.876 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 920931394 NOKOLMBTGKFXBY-UHFFFAOYSA-N 445.457 0.352 50 20 ICGD Cn1nc2ccccc2c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1116652606 QAMRVMBUZDYXOB-UHFFFAOYSA-N 443.485 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(F)(F)F)CCO2)C1 1779031707 WQYYEZSIHWZGLP-QGZVFWFLSA-N 429.399 0.471 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1782159677 DLKIHRNSDMDOJC-YLJYHZDGSA-N 433.896 0.619 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@]1(F)Cl 1782291777 TZIJELMMCIFOTK-XNFNUYLZSA-N 438.692 0.418 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673474 ZEWRRMMUVKBCGW-YVEFUNNKSA-N 443.298 0.422 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785540947 NBNZHDAQVIDHLG-KRWDZBQOSA-N 445.639 0.528 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)c3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983955 XLIURKFFORTDCI-XIRDDKMYSA-N 448.231 0.345 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983970 XUZHCSWVGPXRAW-SVXFZJLFSA-N 448.328 0.763 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984025 KJALXYNSBAGOSH-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21 1787508657 GBKOMPMRBXPGSR-RQLFHFPYSA-N 445.505 0.265 50 20 ICGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CCC1 1788229506 OJXAAYUTLSGSSV-WBAXXEDZSA-N 429.521 0.859 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c(C)n1C 1789122583 NAYIPCIOGZIANE-WDSOQIARSA-N 433.553 0.608 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789718000 LNMFTPQZYPXEBK-QAETUUGQSA-N 435.912 0.505 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1790964365 NHTUCEUEZDNLIS-FQKPHLNHSA-N 428.331 0.992 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791601193 USILFXOVBMBQTR-GOSISDBHSA-N 447.536 0.645 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=COCC3)[C@H]2C1 1791781769 DDXWCTDSYNPYSH-FUPWHNRLSA-N 429.477 0.404 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1)C2)c1cccc(B(O)O)c1 1795737320 AGQOHGXWNAEDIC-UPHUGPLXSA-N 440.330 0.362 50 20 ICGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796384007 MSUYACCLCONGOJ-JGPRNRPPSA-N 445.339 0.875 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)n1 1796596536 KDNMDZDTRNLKTL-HRJSJKBJSA-N 433.336 0.969 50 20 ICGD N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)c1cccnc1 1799346313 PADDGZNDANJMMC-STGWMILLSA-N 429.290 0.752 50 20 ICGD COc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012810 YZJGKHKPGYTQPW-VPTLXERWSA-N 432.521 0.580 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)C(Cl)Cl 1801014947 VEMNZBFHLXORHR-YWVIFJGQSA-N 443.331 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803917824 SUBRKIUHJAAVAH-GUXCAODWSA-N 448.907 0.656 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnccn2)[C@H]1c1cccnc1 1805436035 VZWKROKBSQOWRQ-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809662268 GXAYPGASFIKORD-CYBMUJFWSA-N 425.850 0.196 50 20 ICGD CCc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1811010770 QAGKFLAKKQNDNL-UWJYYQICSA-N 448.288 0.945 50 20 ICGD CC(=O)NCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815340685 AUQHUPTUZZBLBG-MRXNPFEDSA-N 449.556 0.937 50 20 ICGD CC(C)O[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344248 PMMTXFKTHOVCGC-SWLSCSKDSA-N 431.323 0.862 50 20 ICGD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)COC1 1815348768 XVAUDQXARUXEJQ-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)O1 1815357124 ZEHLMZSSBBJWKZ-DJSGYFEHSA-N 429.307 0.616 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)no1 1817478856 CMPBFPZWYZKHOD-SFHVURJKSA-N 437.265 0.935 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)[nH]n1 1819402993 RGEZSFGFLQYJOC-BFQNTYOBSA-N 427.465 0.485 50 20 ICGD COCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819790893 KXDGESPTNIEHTA-LLVKDONJSA-N 432.506 0.794 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(O)nc3)sc2C1 1821488553 ABRCMPXIUDRPGO-GFCCVEGCSA-N 432.506 0.843 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415189 VZIIOFFUXPTBGU-HOCLYGCPSA-N 445.528 0.703 50 20 ICGD COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1 1826088117 RVJXYIHUALPBMW-NSHDSACASA-N 447.521 0.541 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830250702 GFOJUHLGKRZKHB-XLIONFOSSA-N 444.887 0.651 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1830364389 IHHMYEXQJQYUCO-LJQANCHMSA-N 440.884 0.510 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1830538054 UWZHNYQEVFQYFK-ZBEGNZNMSA-N 447.355 0.826 50 20 ICGD Cn1ccc2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c21 1830728260 REYKVIIMHRXMJD-UWJYYQICSA-N 435.908 0.848 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732140 VHLLLBLHDXQNJH-GUYCJALGSA-N 436.267 0.544 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830969323 XQPLDJCYMVMKCC-CRAIPNDOSA-N 441.326 0.649 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1832575908 ODZOOEOTGKNPFF-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833202981 GRKWCJXPFVKRRI-MPGHIAIKSA-N 443.342 0.759 50 20 ICGD O=C1Cc2cc(C(=O)NC3CCN(C4CCN(C(=O)[C@@H](O)CCl)CC4)CC3)ccc2N1 1835514878 ROMSTAIAZFQMHK-IBGZPJMESA-N 448.951 0.966 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1835845555 SWKBJVDNFINRLY-HNNXBMFYSA-N 437.368 0.513 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846446 LDYAQDDLQLLOIM-BONVTDFDSA-N 433.328 0.579 50 20 ICGD CN1CCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc21 1836569924 GLWADPOWWYHCLM-GHTZIAJQSA-N 437.924 0.349 50 20 ICGD COCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836651640 VXBHFGDJEZDBSN-UHFFFAOYSA-N 432.326 0.405 50 20 ICGD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n(C)n1 1836714955 FYZATKIPBBLFLM-INIZCTEOSA-N 428.917 0.641 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836856964 CWDZPPPNPZCNEG-QGZVFWFLSA-N 442.321 0.017 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169983 ZDEXNZJTDPNBFH-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709405 ZXHCDUJSKURTKN-KRWDZBQOSA-N 443.602 0.501 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1ccnn1 1839710212 GTHDAXSFYOEBCT-COXVUDFISA-N 434.324 0.532 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1839963091 ZRKOFEKXXRLPMK-QAPCUYQASA-N 448.358 0.485 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839967346 JWXQUJZNCBZGJP-YJBOKZPZSA-N 434.375 0.957 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840031961 HZHAKVFATBKUMC-PXAZEXFGSA-N 429.267 0.493 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840036638 PRVXIODAUWKWIR-OJHZYUNUSA-N 427.299 0.663 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840153223 HWLYHUNNWHDSMX-VPCWJJEPSA-N 430.933 0.168 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840154509 XXOUPKBKVJKEDQ-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nn1 1840189057 TVMNDIRZOMWNMI-KRWDZBQOSA-N 434.324 0.907 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840343527 LQCBSMUAUMOYGS-YAKREUKKSA-N 431.262 0.570 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840438728 MVYDEHUCKWIXRF-RKVPGOIHSA-N 443.342 0.932 50 20 ICGD COc1cccc(CC(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n1 1841990419 MKZQYEKRPURSQO-MFKUBSTISA-N 438.488 0.970 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842134109 VBAGDUXWCPUXDR-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1)NC(=O)NCc1ccccc1 1846991978 ZANGAXNHJULNCI-UHFFFAOYSA-N 427.505 0.515 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cc(Cl)ccc1O 10626884 IDXOJDLEOXFGPT-UHFFFAOYSA-N 442.881 0.480 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 27542792 WBJDFKBZHBDWFK-LBPRGKRZSA-N 425.536 0.482 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 109704852 CCMWRXAQAUAYGY-UHFFFAOYSA-N 428.449 0.116 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 727063226 NSPFYKVKRIANRV-UHFFFAOYSA-N 448.281 0.420 50 20 ICGD CCOCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 728202744 ALQGZZSHKNKPEA-OAHLLOKOSA-N 443.522 0.527 50 20 ICGD O=C(NC1CC1)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728853755 AARZZTHSHPNPFR-UHFFFAOYSA-N 444.517 0.595 50 20 ICGD O=C(Cn1ccc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 729667410 ONDUWPMIQMNEGH-UHFFFAOYSA-N 427.442 0.932 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 734241783 KBFRQIHGEHGTIB-UHFFFAOYSA-N 426.474 0.096 50 20 ICGD Cn1ncc2c(N3CCN(C(=O)COC(=O)/C(C#N)=C\c4ccc(O)cc4)CC3)ncnc21 754539603 HJQOHZVTWKSHRV-YBEGLDIGSA-N 447.455 0.868 50 20 ICGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 754809150 AGMVCKHEJHTJBM-MRXNPFEDSA-N 448.443 0.138 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc3c(c1)OCCO3)C2=O 756899380 YWDCMHNQGNSKBG-STQMWFEESA-N 430.461 0.966 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758030195 PDDCAKJCMANQTN-UHFFFAOYSA-N 439.432 0.737 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)Nc3ccccn3)cc2)C1 758828007 PFYCLXABUUIKGS-AWEZNQCLSA-N 445.501 0.902 50 20 ICGD Cn1cc(-n2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc2=O)cn1 760931681 RWVIJSHTDNPVNZ-UHFFFAOYSA-N 444.311 0.011 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 762857256 YACGMZQTJLBDSL-UHFFFAOYSA-N 432.506 0.855 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763550524 BZTMRULXIPRQOA-UHFFFAOYSA-N 428.401 0.330 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763746446 WEOTXUIENHDXKG-UHFFFAOYSA-N 444.513 0.937 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C(=O)N(C)C 763803210 DVTCNVYOOCLGIB-UHFFFAOYSA-N 443.416 0.770 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 763823729 FUYVULQABLCSGP-UHFFFAOYSA-N 434.456 0.709 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccccc1F)CC2 764318896 LQJDBHGXPILMAP-UHFFFAOYSA-N 448.476 0.403 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 764397457 KITVYAOHKSKYCQ-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD CCOC(=O)N[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 766636182 MDTJQXRFNCEYKK-GOSISDBHSA-N 433.509 0.363 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 767323761 YMDVXYVVMGJKFC-JKSUJKDBSA-N 440.522 0.845 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cscn3)nc2)CC1 769193239 HBONPPIWRCBNCK-UHFFFAOYSA-N 425.540 0.343 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 770550610 WYAPNANGJOOCJD-UHFFFAOYSA-N 433.446 0.123 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)c(Br)s1 772062573 BEGSZBCLCAQDQS-RXMQYKEDSA-N 428.286 0.261 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 773006420 SWOKGIMVCWUZBM-CYBMUJFWSA-N 443.430 0.577 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)nn1 773496495 NBHAOIIEYUDVIH-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 773644498 POIBQMYLWFEDPF-UHFFFAOYSA-N 433.446 0.911 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 774945909 LSULTKNAUOGYDX-WILYLXEWSA-N 428.397 0.746 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)n(C)c1 779163686 SRTIADASGNRGBN-UHFFFAOYSA-N 432.462 0.242 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 782407423 FCWLMDYRRYUQMH-UHFFFAOYSA-N 425.326 0.878 50 20 ICGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)n[nH]1 782893077 HKDZVDGMYVSMEV-UHFFFAOYSA-N 432.444 0.995 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1ccc(OC(F)F)cc1 782897990 VBZWALXLHOERMI-UHFFFAOYSA-N 441.416 0.981 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ncccc3Cl)cn2)C[C@@H](C)O1 784820938 DIRBTSMCOJTDAC-VXGBXAGGSA-N 435.872 0.649 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)c1=O 785089760 FZHDADXBPCLNSQ-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)n2)CC1 789810882 SGIPAHUNRWVLMR-HKUYNNGSSA-N 440.504 0.808 50 20 ICGD O=C(COC(=O)Cn1ccc2ccccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 790719722 HDUSWYCSJIOMPA-SFHVURJKSA-N 437.408 0.532 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)o1 796277816 CLPYTHLYFCTUJE-UHFFFAOYSA-N 436.428 0.947 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 802025310 ACCOHPFIMAEPLK-CQSZACIVSA-N 445.457 0.294 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 802067295 BELKCXFJCZVGBY-UHFFFAOYSA-N 426.476 0.512 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 802111363 HJDBEUZRWQHSBA-QWRGUYRKSA-N 444.897 0.537 50 20 ICGD O=C(NNc1ncccc1F)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 806171315 FKBVVMWKDNYSIF-GFCCVEGCSA-N 443.482 0.835 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1 810386037 JXCBXFTYHXDKJL-UHFFFAOYSA-N 428.412 0.949 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CNC(=O)COc2ccccc2)C1 816509809 CQKNZUOFMFNQLI-OAHLLOKOSA-N 434.493 0.976 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)C1 819658576 NDSOYOLTMMYOPT-ZDUSSCGKSA-N 426.495 0.742 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 913455046 FCGGQDFXIUHATE-UHFFFAOYSA-N 449.485 0.793 50 20 ICGD COc1ccc2c(c1)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CO2 914828332 NSQGBWLFHKFKPU-KUHUBIRLSA-N 442.424 0.777 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915165001 VZDPHYRKYLQOFK-GZTJUZNOSA-N 426.458 0.844 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCS(=O)(=O)CC(C)C)cc1 916736407 ORBCENGFTYALLB-UHFFFAOYSA-N 433.552 0.224 50 20 ICGD C=CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 919971359 HWPLMUFRGQUGTF-UHFFFAOYSA-N 430.486 0.814 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC(C)C 920240652 ZKFDDMCGHRNSDV-AWEZNQCLSA-N 428.511 0.850 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778897800 MCPJIMGLRQMSNA-BXKDBHETSA-N 435.168 0.612 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1781227540 BAZYYUGKKPQGND-DLBZAZTESA-N 431.276 0.855 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1782736891 ACCMWLFMEWAYTO-CQNRTFJUSA-N 429.502 0.004 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1783876796 AOHQOINURUZRER-XOBRGWDASA-N 437.880 0.715 50 20 ICGD Cc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786093679 RBDPKHGZBYHVPI-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809633 GDVXJUWGSWHVFA-ZPFDUUQYSA-N 444.286 0.942 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789575083 PODQUSBJIPZHOZ-FHWLQOOXSA-N 427.505 0.525 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1790315136 ULMWATBQPWOOOU-WQCNXYOZSA-N 447.923 0.769 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1793446449 CQYVDEVAQWFBHI-WCQYUDONSA-N 430.958 0.786 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795616025 USCOEHSMOUTUGC-STGWMILLSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C3CC3)cc1)C2)c1cccc(B(O)O)c1 1795740556 HNVNUZPPHKUIFN-VTYHHJSWSA-N 434.301 0.761 50 20 ICGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795837618 DMCWOUVUFQQHGS-LYIQGSDWSA-N 433.303 0.849 50 20 ICGD C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796444092 WBBCUJUKPYRWCL-CDKNRDMASA-N 437.447 0.921 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1796891906 OAVPCKWZQPRFDW-MGGJZVGQSA-N 441.496 0.092 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cnccc2[nH]1 1797518564 FMKGPEGWNIKZRY-HBCWATKFSA-N 449.471 0.078 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889238 BYZJWSUFKODOLG-AZGFTEDZSA-N 429.304 0.846 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798350851 NNALBQSJDPDVRK-BCDXTJNWSA-N 442.350 0.583 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798759962 BDNRJPOENLTEOZ-NWJSVONSSA-N 429.315 0.805 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@@H]1c1ccccc1 1800924785 ZQLCANQFHPZCPL-HVYFLLBWSA-N 434.301 0.373 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3c1)C2 1801011584 UUYKIBQMYRSCGR-HATOLVCRSA-N 439.516 0.811 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nn[nH]c2c1 1801198810 VRPCIHFMPXHQJJ-BTTYYORXSA-N 434.460 0.522 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccn1 1801381201 AZQHETRQMDJMCM-HYWQPGETSA-N 441.492 0.168 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1804491451 NUUPOYPSKGYPCB-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cnc(Cl)nc3)C2)CC1 1804671139 LARLYSIIIFDITG-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807320107 NNNDQDJNRCCNBI-SIKLNZKXSA-N 438.337 0.469 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1807363648 AYCRYAPQROWUMX-FLVBGDDMSA-N 437.261 0.112 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)C3CCC(O)CC3)CC2)C1 1809979876 DRWIDBCCIMNORM-UHFFFAOYSA-N 428.338 0.762 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(F)nc1 1810692811 QYCCQMHSOCACTG-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1813028543 SCGVWILYXPJADB-MPGHIAIKSA-N 435.912 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1813074366 QCZDIOHCZLGKJK-AVRDEDQJSA-N 441.536 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813175787 VHRYEYYPNQVUOG-KKSFZXQISA-N 444.564 0.864 50 20 ICGD O=C(Cc1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340770 OUHOMWZZKLTSNX-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD CN1CCN(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)CC1 1817150080 IWZLOXPIFJLJSB-CVEARBPZSA-N 426.949 0.639 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)c1cccc(B(O)O)c1 1817473093 FERRCVWUKSIZHC-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cccn1 1822799724 WQMVGQXUHGSBLJ-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823079658 OAPUHKIWLLXJQX-IUODEOHRSA-N 444.322 0.850 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052363 HFVLNAYBVCMESL-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)C1 1830718468 OZVWHFCCFMCUHN-SNUQEOBHSA-N 437.320 0.836 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831652335 ZCOPYZLGWXUBPM-SJKOYZFVSA-N 429.861 0.795 50 20 ICGD CCc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1833312523 QALWYMNYMISDSP-SFHVURJKSA-N 425.961 0.767 50 20 ICGD O=C(c1scnc1C1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833725423 GZURXPZYNUWLFO-ACJLOTCBSA-N 429.926 0.690 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCSC(=N)N)CC2)CC1 1834709643 NDVWGXCOOQTOQW-OAHLLOKOSA-N 434.006 0.829 50 20 ICGD CC1=C(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCO1 1834916686 CNLXWLMYWRWOSP-UHFFFAOYSA-N 441.337 0.246 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504482 OWKFIJFSGZHONI-IAQYHMDHSA-N 437.360 0.100 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835577462 XEJBPANISTVNTA-APWZRJJASA-N 429.876 0.294 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656460 LLOLESCJEGJAFD-ABAIWWIYSA-N 437.360 0.243 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cnn2c1 1836950517 WSYVHXSCHSDGTF-SFHVURJKSA-N 442.303 0.911 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255018 ZNQOLXORCBWJLE-XOIGSVRCSA-N 448.347 0.514 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837288884 VCOLBBRDYHTXGJ-MRXNPFEDSA-N 441.912 0.952 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C1(O)CCC1 1837709158 WGKCEVFHMMHPSQ-VQIMIIECSA-N 428.602 0.845 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838898422 OVTJJKGEEGMASB-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839156638 WJZJGQYHCHWENE-JKSUJKDBSA-N 445.365 0.114 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839962410 DCTRRRGJGQDFRY-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1840151390 AHCKMQVVYUEHHZ-PIGZYNQJSA-N 437.827 0.936 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567182 FQGMQTQWOIFPMC-MAUKXSAKSA-N 434.375 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCCNC(=O)OC(C)(C)C)C2 1846386438 LXJXGHUIYNMSPY-UHFFFAOYSA-N 439.557 0.868 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848131601 FFAWZYGMYKJASF-VPGMZDJOSA-N 443.410 0.672 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 24127384 NHDOVDRXNZFCDB-CYBMUJFWSA-N 431.536 0.303 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 725908763 SDZXWVYPSFGBFX-INIZCTEOSA-N 442.563 0.832 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=S)NCC1CCC1 727271144 YYQBTSYJRXUKLA-UHFFFAOYSA-N 440.591 0.936 50 20 ICGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1C 728178633 AHSATVXSPLOKHZ-INIZCTEOSA-N 431.580 0.691 50 20 ICGD C[C@@H](Oc1cccc(C=O)c1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728338112 FDNAHESIGOQBTH-FZKQIMNGSA-N 428.397 0.797 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)n1 728721908 KRIQFAVKPCQVMA-UHFFFAOYSA-N 445.432 0.683 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 729258017 WYKHXOZSJGDPTD-UHFFFAOYSA-N 445.505 0.588 50 20 ICGD O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1 732065856 YTACAQCQEDRYJB-SOUVJXGZSA-N 448.505 0.684 50 20 ICGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2)CC1 734281704 MNGDWMHUMDVQTD-QGZVFWFLSA-N 430.557 0.192 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1OC(C)C 734686417 MSTKSESQVWGTTO-SFHVURJKSA-N 449.552 0.833 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)NNC(=O)c2ccccc2)C(=O)C1 741375319 SCQJSSMGCHMPHB-UHFFFAOYSA-N 434.449 0.070 50 20 ICGD O=C(NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1csc(N2CCOCC2)n1 742036553 LNWLUPFTDZTYIN-KRWDZBQOSA-N 449.508 0.953 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 746294047 YOQUXTMSVBVNHD-HNNXBMFYSA-N 447.492 0.906 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)(c2ccccc2)CC1 748241089 PKHLPDDXPDOZEI-UHFFFAOYSA-N 436.534 0.140 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNc2cc(Cl)nc(N)n2)cc1 753452203 OQYZPKAJBCAMCY-OQHXTRMZSA-N 429.868 0.959 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C 757720909 HHXSQTGGMBDDHG-UHFFFAOYSA-N 430.450 0.345 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 758037920 APMUYFBLUNLXOK-LLVKDONJSA-N 449.514 0.210 50 20 ICGD C[C@@H]1CN(Cc2cccc(CNC(=O)NNC(=O)C(=O)Nc3ccccn3)c2)CCO1 758712216 SCHMVYOMJXXKIH-OAHLLOKOSA-N 426.477 0.771 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 758743807 NBQFCKPAVQVSOY-UHFFFAOYSA-N 436.538 0.508 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)C(=O)Nc1ccccn1 758837429 BNDHPICAPISVKA-CQSZACIVSA-N 445.501 0.728 50 20 ICGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)c3c(C)nc4ccccn34)CC2)nn1 759210616 BYZURNYXHAUHGI-UHFFFAOYSA-N 426.437 0.712 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1cccc(C#N)c1 761269983 GBLUKCDMLOWCMF-UHFFFAOYSA-N 438.487 0.952 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 763457488 CBKTWNDIZZLWAD-UHFFFAOYSA-N 445.549 0.817 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763678210 AFFBSMXESJJYAE-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 763857954 PWWXYWGMRBVEMO-LLVKDONJSA-N 432.408 0.747 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C(=O)Nc1ccc(-n2cnnn2)cc1 764280971 VDEVYIIHAKKXND-UHFFFAOYSA-N 446.221 0.530 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764352057 YLOIKQFTXYGNOY-UHFFFAOYSA-N 434.456 0.903 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)ccc1-n1cnnn1 764394561 RFFCQCVNSXSENV-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427057 XWRUQSYFKZEZCO-RHSMWYFYSA-N 432.477 0.511 50 20 ICGD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cn1 764430612 WYCYORIIVUSYBH-INIZCTEOSA-N 430.417 0.692 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1C 764662750 KHLJNGSWBMVIAL-AWEZNQCLSA-N 447.517 0.654 50 20 ICGD C/C(=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 765727017 ILKWSSRJYFGBNX-DHZHZOJOSA-N 430.852 0.338 50 20 ICGD Cc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nnn1-c1ccccc1 765738738 NKHBSZQKZGUZQE-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 766261368 VZRMQJGOWLJXAA-ZVHZXABRSA-N 447.477 0.380 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)C1 767296582 IDVJAHNLCQHALV-INIZCTEOSA-N 425.507 0.290 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 767491433 NDQIYDAOWIJPNW-MRXNPFEDSA-N 446.460 0.888 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n[nH]2)cc1OC 768276980 OFLBEDCIKUGDHR-GFCCVEGCSA-N 439.432 0.631 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=S)NCCSC)CC2=O)cc1OC 769768106 YEWGRXKNVCWDDJ-AWEZNQCLSA-N 440.591 0.953 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc1OC 771147636 GJQJMCINOPFQLB-UHFFFAOYSA-N 447.466 0.838 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)ccc1S(=O)(=O)N1CCCC1 773481993 LEFMOCQUPRWNDA-UHFFFAOYSA-N 448.505 0.968 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 773496601 LCCUPLDKWXEMOM-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccnn1CC1CC1 776029199 LMIQFNUJZHHSPF-UHFFFAOYSA-N 448.505 0.781 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C 778421708 QXSLTGRQCZGSGF-GFCCVEGCSA-N 432.462 0.644 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778591384 BQXNYCNFIKCPOG-UHFFFAOYSA-N 429.499 0.292 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCCNC(=O)c2ccccc2)c1 784584694 HPWDNPURPYMIOD-UHFFFAOYSA-N 448.501 0.145 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2O)nc1 792392131 SNIFKZLRYKYUJU-UHFFFAOYSA-N 444.267 0.924 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2cnc3ccccc3c2=O)n1 792694658 URILAXLGLKYHIX-UHFFFAOYSA-N 429.458 0.485 50 20 ICGD CSSCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 793079216 WZODKLMZBROLQA-OAHLLOKOSA-N 425.532 0.767 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nnn1Cc1ccncc1 794778835 BGTGNMOPUXNCSU-UHFFFAOYSA-N 449.880 0.405 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 796310167 CZQOPKFCRUKLCO-HNNXBMFYSA-N 431.357 0.748 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797673533 FLRUCOPSRHRXJA-INIZCTEOSA-N 447.473 0.859 50 20 ICGD C[S@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 799715794 UNTWQYMCKWZNQF-NDEPHWFRSA-N 442.563 0.716 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)cc1 801105293 CJPCXWQKLFLXMB-INIZCTEOSA-N 441.444 0.251 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)o1 806978661 CMXYBMNZJRBNOY-KGLIPLIRSA-N 426.429 0.385 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 807382148 YZNCYVNZWCNJAS-IRXDYDNUSA-N 426.477 0.567 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNc1ncnc2[nH]cnc12 810424349 MRTLDAXZSVLJHM-UHFFFAOYSA-N 426.256 0.537 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(OC)cn3)cn2)CC1 815579979 ZWCKAQJIIRVVDD-UHFFFAOYSA-N 429.437 0.455 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cccc1OCC(F)(F)F 815690956 ATJFFPDSVQGAGT-LLVKDONJSA-N 440.382 0.876 50 20 ICGD COc1ccc(-n2cnnc2SCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 818922758 RCWGGORWSYBKFP-AWEZNQCLSA-N 425.536 0.860 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 822047926 BIYJXFYKWRCMEN-UHFFFAOYSA-N 431.946 0.305 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@@H](B(O)O)C1 864233411 JEUSQHCHRAXNHA-DYVFJYSZSA-N 426.300 0.226 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC[C@@H](B(O)O)C2)cc1 864234601 XKEICDWBWMEUMH-CJNGLKHVSA-N 430.357 0.561 50 20 ICGD C[C@H]1CN([C@H](CNC(=O)NNC(=O)C(=O)NC2CC2)c2c(F)cccc2Cl)CCO1 916429498 AMABBRIRFUWJGJ-XHDPSFHLSA-N 441.891 0.850 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1OC 916649382 AKLMGLRDLVXLIA-UHFFFAOYSA-N 432.481 0.823 50 20 ICGD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 919887283 ZFQKBWWCRIXCKI-HOCLYGCPSA-N 437.522 0.756 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)c1 919954951 XQDVTEQEXPRQLH-AWEZNQCLSA-N 445.450 0.347 50 20 ICGD CCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1115899534 JFXPGTFXRRXKIU-LBPRGKRZSA-N 449.327 0.333 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)[C@H]1CCS(=O)(=O)C1 1317990357 OVRDLXFBMXCSHK-ZDUSSCGKSA-N 427.504 0.099 50 20 ICGD CS(=O)(=O)Nc1cccc(F)c1CNC(=O)NNC(=O)Cc1cn2ccccc2n1 1319114678 DPVUGJKHDFJWTD-UHFFFAOYSA-N 434.453 0.918 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1320443739 WGPUDXGMMYEHPQ-UHFFFAOYSA-N 437.474 0.624 50 20 ICGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1327109148 ZEFPLZMYLXUPFN-RCCFBDPRSA-N 429.525 0.670 50 20 ICGD CC(C)c1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779028124 DXJYAJRNFJATJB-NRFANRHFSA-N 442.476 0.554 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(F)cc1 1780912573 ZFRRNIGGKQTKCF-MBOZVWFJSA-N 441.887 0.433 50 20 ICGD O=C(/C=C/c1cccc(O)c1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783272861 QCYYAXIURZTYIR-MNQSQUENSA-N 436.273 0.229 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1783877635 MMBOARYJRFRXTI-MGPUTAFESA-N 440.928 0.371 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c1 1783943422 IPYJPJNDMJQSCG-INIZCTEOSA-N 436.317 0.732 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712491 QSEYSEWZFGQJQJ-QEEYODRMSA-N 445.944 0.985 50 20 ICGD CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785075262 BANGBKWEUJOOFY-AJNGGQMLSA-N 431.917 0.687 50 20 ICGD O=C(/C=C/c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785375244 PPBORTZWLWBMEY-RGISNVEOSA-N 435.289 0.068 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)cn2[nH]cnc(=O)c12 1791296369 HAXYWDRDSURPPC-DRZSPHRISA-N 442.303 0.728 50 20 ICGD O=C(COc1cccnn1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791847052 DGXOVOLCAYGUIV-UHFFFAOYSA-N 446.272 0.983 50 20 ICGD O=C(CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)Nc1ccccc1 1792975179 MBDZRFOIUWVKLH-MQJTVSLUSA-N 437.924 0.985 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796190419 WHJRKVIJWKXTIC-LWASTNQWSA-N 442.321 0.598 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2cnccc2c1 1796978257 WFNOBNPPIPOHEU-VTYHHJSWSA-N 445.284 0.432 50 20 ICGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)c2c1CCC2 1797049176 YHNKEGBUIOGWLC-YJKIEOBBSA-N 429.290 0.803 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]nc3ccncc13)C2 1798440437 QIIKGCZYXJEJOT-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1F 1798786280 BMXZEHIJSAZMEF-IVWMJMPLSA-N 427.436 0.341 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799047412 FSTGJFWAAMAJHF-MCKBVIGDSA-N 441.887 0.133 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1799367015 TUQGSJCDURNZGI-JRBZFYFNSA-N 447.960 0.869 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1F 1801743390 QTNFAXQMGHGDMF-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)C1 1802408136 UJTVTGQJHYUCEQ-SGQRUEDASA-N 445.944 0.596 50 20 ICGD COCC1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1803542333 QPCZONWGNOEGRB-XLIONFOSSA-N 431.537 0.887 50 20 ICGD O=C(CN1CCSCC1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1804817751 UTWFRNHYKVITPX-UHFFFAOYSA-N 445.394 0.260 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805910828 ACPUOOIAJMIUQI-RXVVDRJESA-N 447.304 0.611 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361773 CZGGCTJTABPEDM-DYESRHJHSA-N 448.288 0.945 50 20 ICGD Cc1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472160 LWIVIGLQHJGDPG-KRWDZBQOSA-N 434.265 0.808 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1825641995 NDQULRYQEIOZCZ-BDAKNGLRSA-N 429.344 0.678 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1826003238 JERXSZFKPALIBL-BDAKNGLRSA-N 438.897 0.512 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)cn1 1830358602 DTIHTMOQYSEQIY-LJQANCHMSA-N 426.901 0.820 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535303 MCUVPPUGGBPSTB-RDTXWAMCSA-N 448.358 0.342 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730570 BNKPTACBJNLVKT-QGPMSJSTSA-N 436.958 0.302 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1830738898 WMYAKKHMJBHMDV-MDZRGWNJSA-N 447.315 0.430 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830766135 YQUUCLXXADSQBV-TXPKVOOTSA-N 446.386 0.958 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(O)cc3)CC1)CCO2 1830805524 MTYNEDKKDARZQS-XLIONFOSSA-N 438.908 0.480 50 20 ICGD CN1CCC(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833306703 YSJJHHRNYXGQJC-IBGZPJMESA-N 429.005 0.890 50 20 ICGD COc1cccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n1 1833307986 GBCNKMATTZMGIX-SFHVURJKSA-N 438.956 0.804 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834189361 ACZTYRVKJODZNS-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD CC[S@@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835659029 RBZHNQOIXZDRPR-JYRCXFKTSA-N 436.018 0.971 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)[C@H](F)Br 1836414514 OPCUXFXPGJIOIM-INIZCTEOSA-N 445.337 0.930 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338296 XLFPYEVFCXNFDP-ROUUACIJSA-N 432.304 0.626 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838794767 XFFGAHHHGMMJPM-APWZRJJASA-N 437.859 0.872 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838938585 BQNWIABOOYDIPR-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839147139 HQAIXGWJUXEBHH-YLJYHZDGSA-N 442.988 0.240 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1839199821 VKVKRGBOKSMHPF-HDMKZQKVSA-N 445.285 0.867 50 20 ICGD O=C(c1cccc(F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200150 GJRPKPOOQQPHFJ-BBRMVZONSA-N 434.237 0.981 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1840153225 HYNNADJJSFTPHJ-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1840153576 UKMNVYJYRKLCLF-YKTDSXCKSA-N 427.885 0.706 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1O 1840184983 GSGNBXNEOMWVPQ-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189457 SEVXGVCCTURLOY-KRWDZBQOSA-N 435.260 0.677 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843416129 BOFUXKRGZMLXAK-SRZZPIQSSA-N 428.409 0.269 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1843417328 XDEBBXIUXZPNOH-IXORVSQSSA-N 437.504 0.852 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C)COC1)NC(=O)NCc1ccccc1 1847343337 UVXWOQUDIBWNKS-ROUUACIJSA-N 429.521 0.571 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556579 MNCJGRMPJUMFDB-KKUMJFAQSA-N 433.933 0.719 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847776867 SADHLKRABYKZAT-LRSLUSHPSA-N 434.301 0.994 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC 15761810 GDCSURUUOIBGCP-UHFFFAOYSA-N 432.458 0.594 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=S)NCCc2cccs2)c1=O 21125994 YLRLPCRHBBUMGT-UHFFFAOYSA-N 431.543 0.983 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccccc1OCCN1CCOCC1 726249404 WVOFAVYGOYMLGQ-UHFFFAOYSA-N 445.476 0.251 50 20 ICGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 726716490 DRXGFRXLEVVYBO-CQSZACIVSA-N 441.510 0.177 50 20 ICGD CC[C@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 729231426 VWZMVVTWEMNTOV-WMLDXEAASA-N 434.474 0.956 50 20 ICGD CCCCCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730569253 SCPVGMWUSVJAIO-UHFFFAOYSA-N 444.517 0.628 50 20 ICGD CC(C)(C)C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731499023 GXKNNWHTAQHQCZ-UHFFFAOYSA-N 439.494 0.111 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1C 731543444 KXDWQAMDZHODRY-UHFFFAOYSA-N 432.525 0.515 50 20 ICGD O=C(CCCCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 732049518 PTVIYSUAGRNHGK-UHFFFAOYSA-N 438.550 0.735 50 20 ICGD O=C(NCCN/C(O)=C1/N=CC=CC1=O)NNC(=O)c1ccc(Br)s1 732466121 LSILQFZCNHKALH-QBFSEMIESA-N 428.268 0.981 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 734222297 RTNNNVBOEFFDLG-KGLIPLIRSA-N 438.554 0.879 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686452 NXSIGGRNMJSQPD-OAHLLOKOSA-N 427.452 0.639 50 20 ICGD COC(=O)c1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735117137 OQACUYNSDXWXNM-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 736152951 NHKKVTFFTRSCSD-DMMSUNFISA-N 443.548 0.708 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 743295846 RSHRJHWKFBIXRS-ZDUSSCGKSA-N 445.501 0.772 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2COCCO2)c([N+](=O)[O-])cc1OCc1cscn1 744650077 XYPIHXOHTWNSPH-OAHLLOKOSA-N 438.418 0.815 50 20 ICGD N#CC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 746091167 OGGYPYHXFKKCRK-UHFFFAOYSA-N 434.518 0.871 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 751206919 OGUFZXMSTGGQKH-NSHDSACASA-N 434.836 0.872 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1=O 752007782 WGQMWWFBBKLYKF-VOJFVSQTSA-N 425.392 0.953 50 20 ICGD CC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)C(=O)N1CCOCC1 753060756 WLGGCFVFTPGHLY-HNNXBMFYSA-N 442.542 0.376 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 753464154 MLUGOTKYTSGFCJ-JTQLQIEISA-N 429.890 0.861 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@]2(O)CCOC2)cc1 755219848 SXEMPMHSZPOZTG-RSAMLISRSA-N 439.472 0.609 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 758035976 PBEAMHICFTURSD-IHRRRGAJSA-N 434.559 0.745 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)c2ncccc2C)cc1C 760474378 JKGCDBHWZZMOCB-MRXNPFEDSA-N 447.517 0.380 50 20 ICGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 762377309 KQYDOETXLLIIQU-OAHLLOKOSA-N 439.538 0.672 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1 763888848 SEQAGGKWWAMHJX-INIZCTEOSA-N 432.477 0.986 50 20 ICGD CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917544 WWFRIXGJLZVMLH-UHFFFAOYSA-N 427.396 0.988 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763995906 RVPIWEPXVJHZCN-UHFFFAOYSA-N 436.201 0.897 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1C 764243043 KZPNRMFJPFQKOF-UHFFFAOYSA-N 443.485 0.692 50 20 ICGD CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764434961 TUYNIQORINWDNX-MRXNPFEDSA-N 429.477 0.730 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2nccnc2OC)o1 764459789 BQZYZKOZIGIAFU-LLVKDONJSA-N 439.450 0.551 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1cc(Br)c[nH]1 764607615 KJJUAFSOKMPERQ-SECBINFHSA-N 440.279 0.777 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)C(C)C 765598332 ZBNJMNWYJUZDRD-SFHVURJKSA-N 433.465 0.642 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)n(C)c1=O 765727525 JUJKMOWMNDACGH-STQMWFEESA-N 430.852 0.038 50 20 ICGD CCc1ncncc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635876 HVRIOZRQXQLUGU-UHFFFAOYSA-N 446.533 0.115 50 20 ICGD Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766643829 KRYLWQRVEUCYBT-LLVKDONJSA-N 448.867 0.010 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)c(NS(=O)(=O)C(F)F)c1 769624741 KELHCHJKSVLSOR-UHFFFAOYSA-N 428.439 0.562 50 20 ICGD Cc1cc(C)nc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 773659734 BKGUNDIQOYOVDA-UHFFFAOYSA-N 446.533 0.716 50 20 ICGD COc1ccnc(NNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 775445977 RPVPEYFHMNXVJG-UHFFFAOYSA-N 438.466 0.663 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Br 779137448 XSNLWMBAEVPLNI-CYBMUJFWSA-N 428.243 0.928 50 20 ICGD COc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cn2)cc1 784000037 SHRRFRBNMOLFSW-UHFFFAOYSA-N 427.417 0.591 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 792789678 MMARDMZKSCMFGI-IBGZPJMESA-N 434.449 0.080 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1C 794578426 JVOQFTJTPZBVNQ-UHFFFAOYSA-N 443.503 0.544 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cc(Cl)ccc1O 802432479 YRGONZMXTCEJGS-UHFFFAOYSA-N 425.850 0.815 50 20 ICGD O=C(CN(CC(=O)NNc1ncc(F)cn1)c1ccccc1)NNc1ncc(F)cn1 812539399 FMRZZUSQYGWFDG-UHFFFAOYSA-N 429.391 0.638 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 816878711 YCNRBNDNVYZZQT-LLVKDONJSA-N 447.452 0.570 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1C 916562681 SBRJMSQRDUHRSZ-SPLOXXLWSA-N 429.477 0.890 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 920436213 YVPQJXHCWVOJOV-UHFFFAOYSA-N 438.487 0.638 50 20 ICGD CN(C)N(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@@H]1CCS(=O)(=O)C1 1116363680 NUFAZOPBBLPIKI-LLVKDONJSA-N 432.300 0.788 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CNC(=O)COc2ccccc2)CC1 1251915609 YPQPSUVMDIMZIQ-UHFFFAOYSA-N 434.493 0.976 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1255007860 LIFRNQADKXHCBI-UHFFFAOYSA-N 442.515 0.551 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc1OC 1323196409 JGOVRIYKHABTKO-UHFFFAOYSA-N 436.486 0.864 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778687288 PJRGYFIRYVRTLB-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1cccs1 1779033714 CDEFMJFQTRVKEN-LHSJRXKWSA-N 443.529 0.994 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)no1 1779121054 XMWXVTCWXXKDCC-LJQANCHMSA-N 426.901 0.808 50 20 ICGD COCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969874 KYKKAKBXAAEKSR-JOCHJYFZSA-N 447.536 0.199 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1782175583 NREFDCWEXQKWIR-VEVIJQCQSA-N 428.921 0.087 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1785718025 MSFSPOGHJNUDRG-JXFKEZNVSA-N 440.880 0.282 50 20 ICGD CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C[C@@H]21 1786743695 COXFROYJBNZAMN-DKQAGWEXSA-N 446.454 0.940 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)n4ccnc4n3)[C@H]2C1 1790410459 XULIEIZKFCOSJQ-MPTYRVRUSA-N 435.912 0.885 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[S@@](=O)c1ccccc1 1790590900 BSWDRYTZOUGCAA-QRMUEIMASA-N 442.965 0.762 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1790961246 JOWUENOZOBJFQW-FQUUOJAGSA-N 433.347 0.411 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)c(=O)[nH]c1C 1792870189 LQJXEXDROJVFPO-WTDIUWLJSA-N 441.326 0.621 50 20 ICGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)cn1 1794948431 ORQXJYYTTREWMU-MCYUEQNJSA-N 427.299 0.719 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]c2c(F)cccc12 1796191349 BUYBYZFEFOVJGP-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 1796893742 PRHXTBOKCYEMIX-NTPMPSRCSA-N 428.493 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cnc1Cl 1798047638 SEGYFSAWKAXUFP-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3cccnc3)[nH]n1)C2 1800976720 FGSZEHKEXUSZRW-KRXQYRFLSA-N 433.896 0.929 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1800979411 FSLHEPPFZARVKA-NZKYLMMGSA-N 434.924 0.596 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011178 LJMPRNXAVCNERZ-CWPLJXCYSA-N 442.520 0.219 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802595957 GUSGTOMCEFNBTG-PKOBYXMFSA-N 425.294 0.506 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1803542331 QPCZONWGNOEGRB-PXNSSMCTSA-N 431.537 0.887 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369501 MJLMBLGFNQBGIU-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373734 FKSMKXPTXPJVDP-NZSAHSFTSA-N 445.712 0.335 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807950007 SAOYKHVZXCKGJO-XEZPLFJOSA-N 444.883 0.545 50 20 ICGD Cn1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1=O 1815414732 NGDGKZZUOCUGQT-GOSISDBHSA-N 449.276 0.408 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1 1819403947 OKXZWWIHMAVRLZ-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1824710701 TVXAQQLMSZAPDC-CYBMUJFWSA-N 433.538 0.633 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnnc1O)CC2 1826088065 QQNHFCQJHAJAKZ-JTQLQIEISA-N 433.494 0.238 50 20 ICGD O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054732 KDDUMKLXJKQKML-MHTWAQMVSA-N 426.322 0.492 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1828486645 DDOYEMYYUBCMCG-MOPGFXCFSA-N 442.988 0.370 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1830537879 RMMBMNXDTJUPAJ-CXAGYDPISA-N 427.299 0.578 50 20 ICGD CC(C)c1csc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725530 PMWXKJSVDOCCOJ-KBXCAEBGSA-N 431.942 0.936 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1830726979 YQYHWOWLIOZIMF-DSUCVYQCSA-N 440.846 0.775 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831699321 IAZNBYQIIHKHHN-BOSFTKNMSA-N 440.846 0.775 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)CC1 1831874593 KUQWQWPAEGCOAY-KRWDZBQOSA-N 436.553 0.932 50 20 ICGD COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833527260 HICKGIGEAPHFAZ-OAHLLOKOSA-N 446.552 0.153 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n(C)n1 1834158494 PFBHBOGMGGARLW-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD CCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834278093 LHGDLABLBHJHOC-UHFFFAOYSA-N 447.584 0.461 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652615 OADNAPLTEZQROK-CVEARBPZSA-N 441.381 0.696 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835960326 YLYKPFXWFXWEMT-RIFZZMRRSA-N 441.912 0.572 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1836371860 CMVFKIRKRBJRDV-MAUKXSAKSA-N 431.984 0.728 50 20 ICGD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1837548595 ITBPJDIZSDMBIW-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)N1 1837737676 ICSIFZWLIHOUMO-ZFWWWQNUSA-N 434.306 0.954 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839143488 WYMABKXELRDQJZ-SCLBCKFNSA-N 430.864 0.870 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839963214 DVIABJQCCHGXSP-RHSMWYFYSA-N 427.299 0.720 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033861 SPOYIGRTBKLOEA-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034511 NYGRNIHNLCLDBI-KPZWWZAWSA-N 443.342 0.809 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1840150583 NLDNVWXEDZRVDR-ACJLOTCBSA-N 432.880 0.191 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n(-c2ccccc2)n1 1843437211 RCKQMKQMQZWTNR-UHFFFAOYSA-N 444.300 0.991 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844518672 DPKUKVRSWYUCEO-UHFFFAOYSA-N 443.696 0.944 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccccc1)C2 1846386479 QSWVYXTVICVMMA-UHFFFAOYSA-N 429.521 0.383 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1847007283 GQQHNLCSOCFZFP-SJORKVTESA-N 425.888 0.676 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847567978 IDPCRXUUYDYPGO-XUXIUFHCSA-N 447.916 0.244 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 20909619 AUHZLSHLPDOCPQ-LBPRGKRZSA-N 434.449 0.821 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1ncc2ccccc2c1=O 30524990 QFDSFQZNVSKUKZ-UHFFFAOYSA-N 428.474 0.459 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726522610 QCZZSZWRGYCWOD-CYBMUJFWSA-N 426.477 0.999 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 729455707 VFLWNWQQALKPNK-RYUDHWBXSA-N 436.494 0.555 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)cc1Br 732245800 BRITXNWEDWETQC-UHFFFAOYSA-N 427.255 0.941 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 739666827 FIXUWYDRLKJCSA-GJZGRUSLSA-N 444.579 0.928 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C[C@@H]2SC(=N)NC2=O)c2ccccc2c1=O 742476716 ICUDJEGUBGSJKY-ZDUSSCGKSA-N 430.490 0.904 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)ccc2O)CC1 743734037 ZSGBNASXCSDKLB-UHFFFAOYSA-N 434.312 0.977 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 745858278 OFTRQTOBYOXSKY-HOCLYGCPSA-N 439.538 0.134 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 746098568 KHVYHNVHYXLWKC-WNPFRXICSA-N 445.472 0.794 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)CCc3ccccc3)CC2=O)c1 746191299 OOQBJMSILHGRRQ-HNNXBMFYSA-N 430.486 0.467 50 20 ICGD CCCn1c(CCC(=O)NNc2nccn(C)c2=O)nc2cc(S(N)(=O)=O)ccc21 747937493 HICUSNDTUIXJPV-UHFFFAOYSA-N 433.494 0.263 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2nc(Br)cn3ccnc23)c1 750247888 HGKDFJMHGYEEPD-UHFFFAOYSA-N 428.272 0.827 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc3ccon3)cc2C1 750269677 XYECEHLHNKPJGU-LLVKDONJSA-N 441.535 0.925 50 20 ICGD O=C(CCC(=O)NC1CCCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 756002899 LAWWGFRVHSHNMV-UHFFFAOYSA-N 429.521 0.431 50 20 ICGD CC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCO1 756736140 BNBUCDHRJJVZIW-HOTGVXAUSA-N 426.543 0.601 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNc1nccc(N3CCOCC3)n1)C2=O 757913463 WMVAWWRYALEMSD-KBPBESRZSA-N 431.497 0.503 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763442438 QMZKCTZUIMASFO-NSHDSACASA-N 429.389 0.968 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 763462056 ISHIXZFXYVDGQS-GOSISDBHSA-N 437.456 0.649 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 763657460 MYPIAWRMNJUJLZ-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 763802354 CCYHPQQZFVIQLP-UHFFFAOYSA-N 441.400 0.652 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnc3c(c2)COCC3)cc1 763872600 OVXOLVAUIHIUJQ-ZDUSSCGKSA-N 426.429 0.910 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 763883365 ZZSIRVNFLHSAHT-UHFFFAOYSA-N 440.851 0.997 50 20 ICGD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 763922187 UAEWIHWYKSXSJC-AWEZNQCLSA-N 445.443 0.868 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)n[nH]1 764098340 LWHBTECFTWHYKT-UHFFFAOYSA-N 436.494 0.503 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1 764334689 JEANWBFKSMJOIJ-UHFFFAOYSA-N 439.538 0.669 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764342382 NODJXDIKBSRWMU-UHFFFAOYSA-N 427.461 0.386 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1-n1nnnc1C1CC1 764368369 UTWYHSRXXYURBI-UHFFFAOYSA-N 425.405 0.849 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)o1 764371281 JSOJHDHWTGORSJ-KQWNVCNZSA-N 447.473 0.801 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(Cc4ccccn4)nn3)CC2)cc1 765747662 FWAYWDJNAPFNMD-UHFFFAOYSA-N 448.531 0.609 50 20 ICGD CC(C)CN1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766641630 IHEUCZKTIGWXSR-GOSISDBHSA-N 429.521 0.096 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 767677408 RWRNVCVKMADOCY-LLVKDONJSA-N 436.471 0.291 50 20 ICGD O=C(COc1ccc(N2CCCC2=O)cc1)NNC(=O)c1csc(N2CCOCC2)n1 768995295 ZPMZUQUUWGYYKU-UHFFFAOYSA-N 445.501 0.947 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCC(N)=O 770423761 DDEIGSJTRQPLPO-UHFFFAOYSA-N 431.401 0.414 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772024740 UVIFSLDNCVTUMQ-CYBMUJFWSA-N 432.481 0.503 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 772953770 IVJBQJBYDYJFLB-MRVPVSSYSA-N 445.657 0.980 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ccc(C#N)cc1 773696406 AJCHXCVJYNEDSU-UHFFFAOYSA-N 443.485 0.969 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C 776077923 YOMNMPBWAWQPBQ-BEFAXECRSA-N 425.507 0.749 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H]1OC 776533220 ZVYHUNGRAWUHKV-ZACQAIPSSA-N 440.522 0.608 50 20 ICGD Cc1cnn(-c2c(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C)nn2C)c1 778551477 GFBGKKXGSCFTBY-UHFFFAOYSA-N 441.404 0.749 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1cc(Cl)nc(N)n1 779375236 OMFZWYAQTROTBP-UHFFFAOYSA-N 442.885 0.499 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc(C#N)n1C 779582821 YRAOCRIATJPZQT-DDYRAIOVSA-N 431.518 0.765 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1-n1cnnn1 781688796 CXTOVVRRINPIDH-UHFFFAOYSA-N 431.434 0.541 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783425870 JFDSNKIOAMKAIK-GOSISDBHSA-N 444.941 0.957 50 20 ICGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004281 VLTCMLGJDBGRDU-UHFFFAOYSA-N 446.485 0.715 50 20 ICGD CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004512 PKPKPLJPRCSXJP-UHFFFAOYSA-N 430.417 0.751 50 20 ICGD Cc1cc(C=NNC(=O)C[C@H](C(=O)NN=Cc2cc(C)ns2)N2CCOCC2)sn1 785457868 SQJJPBWQELNWOS-MRXNPFEDSA-N 449.562 0.908 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 786130157 XHQLJBAQSXIHCE-GOSISDBHSA-N 433.428 0.641 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 788177042 HAWUCAIOEWSQFT-UHFFFAOYSA-N 444.477 0.385 50 20 ICGD O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 790116794 RALKFTCCPKZGIP-GOSISDBHSA-N 443.485 0.820 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1cccs1 792117059 PKYXZBFHAJTCIV-INIZCTEOSA-N 446.407 0.257 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCS(=O)(=O)c1ccccc1 792917700 IOGCLWLSQUKCCC-UHFFFAOYSA-N 434.474 0.717 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c2ccccc2n1 799009605 DNJYKLCPJBMYQD-UHFFFAOYSA-N 430.490 0.715 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3O[C@H](C)C[C@H]3C)CC2)cc1 800334649 OOZXWULEDOFWMN-GPMSIDNRSA-N 438.550 0.262 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 807371661 QVPOPHGCMGBWKB-LJQANCHMSA-N 436.465 0.399 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)C(=O)Nc1ccccn1 810528289 SOBHRWLGKDVBDJ-UHFFFAOYSA-N 446.272 0.453 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 811480413 XMGYTLIQNRHCNM-UHFFFAOYSA-N 427.280 0.892 50 20 ICGD CC[C@@H](C)CONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 813823866 ITJLHLOOWULQCA-OAHLLOKOSA-N 442.538 0.948 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CC1CC1 819132109 ZLZSHDQMONBZAW-YHVDPYDOSA-N 443.547 0.328 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 895724378 OMRJQZMXMWUUMM-LFIBNONCSA-N 440.489 0.734 50 20 ICGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 917388370 YWDCPFICPYKUJZ-CQSZACIVSA-N 430.552 0.346 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O 917723200 AVCQDDXZDYEPHW-UHFFFAOYSA-N 442.475 0.310 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2ccccc2NS(C)(=O)=O)c2ccccc2c1=O 1116029004 ZZQVZXNTEUIHMG-UHFFFAOYSA-N 443.485 0.792 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1780062652 LVJQXDVPFVDZFT-QGZVFWFLSA-N 426.260 0.337 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1789859437 BPZRXKUUVKKMDS-FJIDUMEYSA-N 428.961 0.148 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791598314 NPPPFFKBSMIQSV-QPSCCSFWSA-N 441.326 0.866 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799047407 FSTGJFWAAMAJHF-AQCWLDMPSA-N 441.887 0.133 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186952 VYHOBSOODCYGLJ-KSWRQPAISA-N 445.402 0.385 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)C1 1801051893 JRAXHAOZZIGPMX-IMDDZUEWSA-N 449.907 0.482 50 20 ICGD COC(=O)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801075840 GJRGFQVOFDTWQI-VPTLXERWSA-N 440.541 0.073 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)CCO2)c1ccc(B(O)O)cc1 1801852737 WTTLRRWGUKAIMM-WKCHPHFGSA-N 434.301 0.796 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)NC(=O)NCc1ccccc1 1801988766 NTILXIYDFSNMBQ-BCDXTJNWSA-N 441.488 0.059 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803580500 GYSYDLYRLUMQKI-BVUBDWEXSA-N 431.942 0.368 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1csnn1 1803748946 RJTBZIMGJKROMN-QAPCUYQASA-N 437.290 0.246 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1805831440 ACRXXMYPEURVMA-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363264 CRASPLLFOCDHPM-YILSLVNCSA-N 437.280 0.973 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369113 AYOIVEOAGWZPAU-WIYYLYMNSA-N 446.272 0.028 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369125 BAUURNABHKJPEM-GCJKJVERSA-N 447.304 0.437 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977240 BKISWLULMMNHBS-FPLPWBNLSA-N 439.321 0.070 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1810540321 IQDYHPFCBJPJPQ-VQIMIIECSA-N 432.601 0.779 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810547765 HYMGXIJCQLERQG-KKSFZXQISA-N 444.564 0.864 50 20 ICGD O=C(Cc1cscn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815514364 QDDVKXUDSMSKNB-CYBMUJFWSA-N 442.331 0.748 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473141 HYXKKFFBCQVXHR-OAGJVSPASA-N 440.265 0.515 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818915035 DGLIUZMZZOEBEM-GOEBONIOSA-N 426.949 0.903 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCO1)CC2 1819796929 IKQZHSJAMISXTI-QMTHXVAHSA-N 430.490 0.546 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820198362 YBMNZQLBOILYBK-NTZNESFSSA-N 432.930 0.460 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052932 PDOSFXIJEMCPBJ-MOPGFXCFSA-N 444.341 0.047 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)NC=O)CC1 1827679336 YBGMIBUFPHELSB-GBYGFOPDSA-N 444.536 0.875 50 20 ICGD CO[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830723927 UWKZBQJVFLALHP-UWVAXJGDSA-N 426.897 0.430 50 20 ICGD O=C(CSc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725443 INRRDTZSCYQFPB-QAPCUYQASA-N 429.926 0.230 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C(F)F)n1 1830731839 NXZCRBQFQQPUHQ-SUMWQHHRSA-N 436.843 0.256 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733452 MSMMKROENROKBB-XLIONFOSSA-N 426.897 0.755 50 20 ICGD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1831368278 ULOHEKJPPQEDBD-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832772515 OVOLSZRUQGJXLF-JXFKEZNVSA-N 441.912 0.343 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)s1 1833144424 IJWLYCKELIDTTM-CRAIPNDOSA-N 431.942 0.359 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c(=O)[nH]c1C 1833390920 JVPBUNZURXREFO-KRWDZBQOSA-N 433.292 0.260 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833635233 MEVZLEXVXGJOME-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834876400 AYMGESVGATXNIK-QGZVFWFLSA-N 432.356 0.481 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835702470 ZTCRBBFUVBCHGI-GOSISDBHSA-N 432.352 0.670 50 20 ICGD CC(C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837044356 ZJZJYROMCJZHBT-UHFFFAOYSA-N 446.353 0.794 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1837549522 YFXCDUYHSDAPTG-KUHUBIRLSA-N 442.900 0.187 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1837711528 LAEKJLAZRLOJNM-SFHVURJKSA-N 444.992 0.844 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1 1838734697 HRWHOJNFUJIOQF-KRWDZBQOSA-N 425.283 0.741 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839962242 YQMHALMCTAQFBW-LPHOPBHVSA-N 446.386 0.958 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1839967057 YZTKYFRCNVHCQT-CXAGYDPISA-N 447.326 0.570 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030464 NACRLZUTCFEKCD-SUYBPPKGSA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840031250 JRGOXHVYQHRRRD-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1840033699 NBNOMGIQEOOQNR-FXZJEQNSSA-N 444.370 0.566 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840101104 XCWDXAOLSMNWJI-PXNSSMCTSA-N 436.896 0.092 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840153266 JCEHGCJIEXSZAQ-SJCJKPOMSA-N 436.843 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840153725 YOQFODCRMNHUKB-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr 1847498369 DBJATCUBEBXPMI-FBUXBERBSA-N 433.299 0.714 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 27068349 MVCWBHOJISAZDE-KRWDZBQOSA-N 444.469 0.568 50 20 ICGD CCOC(=O)/C(C#N)=C/NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 28804564 VCAITKNIOGIKOB-JQIJEIRASA-N 436.490 0.231 50 20 ICGD CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 727118608 UQCWYTVXBPPASS-HZPDHXFCSA-N 437.518 0.931 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2nc(-c3ncccn3)no2)c2ccccc2c1=O 727721940 BJVPKEDJNYCBNN-UHFFFAOYSA-N 434.416 0.650 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 728213719 OAUDXMSOXQTUKS-MRXNPFEDSA-N 449.577 0.857 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 728510719 RGMTYVOQKYJCNY-MRVPVSSYSA-N 436.899 0.144 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 732991686 IINRLOCKFIACPF-UHFFFAOYSA-N 434.465 0.969 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 733775150 ZFVOZLHZXVXJLT-GOSISDBHSA-N 446.423 0.861 50 20 ICGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c2ccccc2n1 734686511 PUKSOPOUYKFXNX-QGZVFWFLSA-N 426.521 0.894 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC 743731101 VQXRPCMSSJUKCM-UHFFFAOYSA-N 434.434 0.311 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)c1 744385301 XHSVDSBZXSLDFQ-UHFFFAOYSA-N 445.483 0.786 50 20 ICGD CN1C(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C(=O)C12CCCCC2 744511581 YEEWPFYDUJYRML-UHFFFAOYSA-N 441.444 0.459 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 744582580 SKMDGXBNAQUUOM-UHFFFAOYSA-N 430.442 0.143 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1OCC(N)=O 744594402 NIQPWCMKSPUCFR-UHFFFAOYSA-N 426.385 0.049 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752167478 OQKPDRBKZBWFII-CQSZACIVSA-N 436.515 0.868 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccc(C)o3)CC2)cc1 754079317 FQHZJNXXMVESBT-UHFFFAOYSA-N 434.518 0.593 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1nnnc1C(C)(C)C 754986712 RPFPBSFQMRDTGA-FZMZJTMJSA-N 432.437 0.062 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755260429 UDFFXROXQWXVLB-STEAMIEHSA-N 426.473 0.765 50 20 ICGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1nnc(O)c2ccccc12 756099491 WQMUKMOIYYCLFZ-LWWSYDQCSA-N 436.428 0.087 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1NS(C)(=O)=O 756788457 UZQOFRGZQFRDKF-UHFFFAOYSA-N 436.450 0.887 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1OC 757782167 YRVMPMXICISYRJ-UHFFFAOYSA-N 438.462 0.377 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763442539 AOMFGSBLOLOLDA-UHFFFAOYSA-N 435.418 0.245 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 763463584 PUOVPEOCHUQORK-UHFFFAOYSA-N 435.547 0.436 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1Cl 763569670 AQVREAGJIHGTOY-INIZCTEOSA-N 446.847 0.968 50 20 ICGD CN(C)c1nc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2o1 763574391 AIKKFZWBBYZDAC-MRXNPFEDSA-N 425.401 0.820 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1-n1cnnn1 763601464 RGSSQWIRRUFMLJ-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 763802379 DGTNKRJCGAXZOH-UHFFFAOYSA-N 445.363 0.784 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763823624 JLGZEHCGICDFCI-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 763880208 CRIVSNPYRCTGTH-CALCHBBNSA-N 442.520 0.895 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764169999 XZVNYADTAILHKU-QGZVFWFLSA-N 425.445 0.316 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1Cl 764211929 MTBHBPLJYOWYPS-UHFFFAOYSA-N 433.918 0.018 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(Br)c2)n1 764326961 RSRHTKMTYPSZAH-UHFFFAOYSA-N 440.254 0.700 50 20 ICGD O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C1=CN2CCS(=O)(=O)N=C2C=C1 764335348 SKRJGISYIQDLRZ-UHFFFAOYSA-N 437.428 0.798 50 20 ICGD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 764433615 OCZNGKIBOXWXAY-UHFFFAOYSA-N 433.808 0.880 50 20 ICGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC(F)F)c1 764812633 NVOAPQFRWHVLQK-UHFFFAOYSA-N 436.375 0.194 50 20 ICGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)CNC(=O)c3cccs3)nccc12 768478236 JJUIOFSLMRXSLO-UHFFFAOYSA-N 433.471 0.135 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 768635584 GNTYSKDSLBSFFB-CQSZACIVSA-N 445.505 0.830 50 20 ICGD COCc1nc2n(n1)C[C@@H](NC(=O)NNc1nc(O)c3cnn(C(C)(C)C)c3n1)CC2 770410345 JOGUUUURZFIXAV-JTQLQIEISA-N 430.473 0.666 50 20 ICGD COc1cccnc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771793067 ZMHZFDVJUAVUCQ-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 773419079 LXIVWGSSQGRDBA-CHWSQXEVSA-N 434.559 0.745 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 773681170 MGDDHEKCFCBZAV-UHFFFAOYSA-N 447.448 0.800 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)c1ccccc1O 775250899 ANNRVPIFNVWJOA-UHFFFAOYSA-N 425.488 0.800 50 20 ICGD COC(=O)c1ccccc1NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 777772616 FYQUJOIDAZGNIE-UHFFFAOYSA-N 432.458 0.351 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCOC1 780862433 MOTVKXORUWOQAU-GOEBONIOSA-N 440.522 0.467 50 20 ICGD Cn1ccnc1CN1CCC[C@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 783315501 HYEAZQFJXMMNGU-INIZCTEOSA-N 425.449 0.192 50 20 ICGD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004712 PVTDZUDZHJXAPY-UHFFFAOYSA-N 442.407 0.488 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 788174796 JZOHKAOHZPJOTF-UHFFFAOYSA-N 434.507 0.485 50 20 ICGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 788890242 NODQXXFODYBGLT-CYBMUJFWSA-N 425.511 0.282 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 789331453 LSASCRIGPRRYFB-IRXDYDNUSA-N 440.522 0.609 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)NNC(=O)CNC(=O)OCc3ccccc3)nc21 794060401 IWDSHTGTZJNMQJ-UHFFFAOYSA-N 427.421 0.075 50 20 ICGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 795295043 XRYAOIOQLVUSES-UHFFFAOYSA-N 440.499 0.819 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncccc2Oc2ccccc2)n(C)c1=O 799695995 MZACGOUTPSBLHK-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)cc1 803469066 HJZCBQNTCUKLBA-JOCHJYFZSA-N 425.441 0.706 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 805749544 ZJHIKGABVFFUHB-OAHLLOKOSA-N 433.534 0.877 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976364 BJNLBBMPLPXNEY-HUUCEWRRSA-N 442.497 0.474 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1C 806980477 QEDMOBFHFNPCDO-UHFFFAOYSA-N 433.486 0.877 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cc(F)ccc1Br 810344944 MFBFDFHSVHBUQB-UHFFFAOYSA-N 449.258 0.933 50 20 ICGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693056 KOWFXCHSEOYLCO-VIFPVBQESA-N 436.375 0.082 50 20 ICGD CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)C1 815778516 VGCNOEQTPARVNZ-DLBZAZTESA-N 431.493 0.118 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(-n2cncn2)nc1 825868372 ONWSEVAKNSXEBD-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 864016996 HYNCHQWPOFVHKE-UHFFFAOYSA-N 444.469 0.656 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C)O1 912924581 ACSOPHIXKMBFGJ-ALTADZDJSA-N 438.550 0.614 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 913441268 UHVBUGFYPRZVPF-NSHDSACASA-N 439.519 0.178 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 915188861 ZICSDEMRJCMXQX-LBPRGKRZSA-N 432.930 0.787 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 915257702 DRFJRHSYRDWYKA-UHFFFAOYSA-N 443.508 0.513 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)CCN1 916392288 VBXRGBZQJSVJIY-UHFFFAOYSA-N 448.483 0.813 50 20 ICGD CC(=O)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 920057654 OICVRXFWPYQQRJ-KRWDZBQOSA-N 442.384 0.713 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2COCCO2)cc1 920854661 PBWKYZUQSNJNFW-NXIIHZOPSA-N 439.472 0.873 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)c1ccc(-n2cnnn2)cc1 1317673701 ULSULKJWKJCJFY-CQSZACIVSA-N 448.896 0.944 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545405 JXCGIDJNCSAFMB-MBOZVWFJSA-N 443.617 0.503 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1)C(=O)O 1783968465 VAJKZFFXULMNED-QMVSFRDZSA-N 434.331 0.060 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C)[C@H]2C1 1784825915 FIWIIVAYWKUIGE-BPOXOXDZSA-N 444.536 0.194 50 20 ICGD Cc1cc(C)nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979963 UOADYGJAKBQYTI-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CC[C@@H](N)C(N)=O)cc2)CCC1 1788059967 ZZFCFYKFZDBMQE-MRXNPFEDSA-N 432.525 0.086 50 20 ICGD N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1790142253 GEIRVWZZNQCHFD-BVSLBCMMSA-N 447.300 0.340 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1CC(c2ccccc2)=NN1 1790545643 QDYBHVPGLKHSKX-AEIBSFOJSA-N 434.924 0.332 50 20 ICGD Cc1cccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791286341 BJSLLAQUUGWVHG-OEIDVVBRSA-N 443.548 0.756 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1792889338 NFBXNWLMAQXWMK-USZNOCQGSA-N 440.324 0.265 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)F 1793704264 WOHHFQNUAKWIHC-KYWHXAPBSA-N 447.389 0.610 50 20 ICGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc(Cl)n1 1796191802 AEXMDTKJTVXKJS-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797656065 DFSQAPXVMBNSGK-GNXNZQSNSA-N 426.464 0.533 50 20 ICGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cl)COC)C3)ccn1 1798688308 BSLMEDZCZRYUHJ-IVSAIRAKSA-N 439.896 0.715 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1799277975 ZSQUIEYRBOMHNZ-WMEBDMIVSA-N 430.292 0.015 50 20 ICGD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)Cc1ccccc1 1800435377 CVKAESZCFYPVIC-FMPTWSOUSA-N 425.323 0.963 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@@H]1CCc2nc[nH]c2C1 1801269522 SWMYMQBSARUZAV-IUPFNGILSA-N 429.290 0.795 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523090 NMTXOGREDHAKDA-HOCLYGCPSA-N 437.928 0.426 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1 1806769126 QQBMBNMPDFVACB-UBHSHLNASA-N 436.303 0.823 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807371247 RRQNBOPGUWMILY-DYESRHJHSA-N 449.276 0.015 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3C(N)=O)C2)CC1 1807381618 SQWPJUCBCYRYBM-UHFFFAOYSA-N 444.536 0.398 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807802583 OMMKRHHAAGZLPP-KSSFIOAISA-N 449.475 0.140 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cnn4ncccc34)C2)CC1 1810746662 KLXLHLYCBHWEHQ-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2C=CS[C@H]21 1812382860 GOSYDDPISMJCPS-OUJGAGHGSA-N 449.341 0.956 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](O)CCl)n[nH]3)cc21 1814869602 USUJCBCPTFGPHN-TZMCWYRMSA-N 435.872 0.255 50 20 ICGD Nc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cs1 1817384807 KNLAXSGLSJOAPD-OAHLLOKOSA-N 440.294 0.748 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cnnn1 1822416817 QGORDLXDIJCFBG-TZMCWYRMSA-N 432.489 0.023 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824889639 RVEKQXAUXQLPMZ-LJQANCHMSA-N 437.585 0.848 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)Br)CC2)N1 1825075210 ADFQCTXYJLYLPY-OUCADQQQSA-N 447.305 0.895 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cncn1 1826797084 DPSWVDPZTSFSDB-VXGBXAGGSA-N 434.526 0.281 50 20 ICGD O=C(c1ccc(O)nn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056595 ZWAOUQAOPIDSRS-LJQANCHMSA-N 438.293 0.409 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1829092118 YLGVUYXFLRVJCW-JXFKEZNVSA-N 441.337 0.290 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885767 OKQOQHJCVSTDIM-DNVCBOLYSA-N 446.386 0.816 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1830357405 BMGFCOWMWSZXRA-FQEVSTJZSA-N 441.912 0.731 50 20 ICGD O=C(c1cc2cccnc2s1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727695 BSUKXDUGIGNRPF-IFXJQAMLSA-N 439.921 0.966 50 20 ICGD O=C(c1cccc2ncsc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731042 HGISMPZLBZSFMO-HNAYVOBHSA-N 439.921 0.966 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738437 PMSNNJOLMXPOKB-SIKLNZKXSA-N 436.936 0.848 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830960646 YILDCRXNPBBNRP-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)C(=O)c1ccccc1 1831146101 ZPBDBFCQJCPNMH-XLIONFOSSA-N 441.887 0.749 50 20 ICGD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1)N(CC)CC 1831674944 LRYPYVPXFAJKKQ-SQGPQFPESA-N 433.977 0.817 50 20 ICGD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549039 CQGFGXLVCHJKLI-LIRRHRJNSA-N 449.932 0.221 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832772517 OVOLSZRUQGJXLF-OXJNMPFZSA-N 441.912 0.343 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C(C)(C)C)c3)CCO2)C1 1833457388 NKHZTHVNKRVLPF-UZLBHIALSA-N 442.944 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835947827 SFGUBTWPAKYJPE-KSSFIOAISA-N 430.910 0.884 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359089 PGDIOUOTQPFSPD-COXVUDFISA-N 445.402 0.312 50 20 ICGD O=C(C1=CCCS1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836897759 HHAJOOFLVRCOCJ-UHFFFAOYSA-N 444.362 0.999 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837247179 TZANPHXWHWFYMD-VAZLSXMYSA-N 439.372 0.385 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839330066 YUQQSDFYLNSYBK-BEFAXECRSA-N 448.850 0.958 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840031643 XXIFDUBBCYACHR-GUYCJALGSA-N 429.315 0.582 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188795 CQBPLBFAOMXDOU-KRWDZBQOSA-N 432.260 0.684 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)cc1 1841368595 BCRWQZDYIRGESG-HOCLYGCPSA-N 443.953 0.465 50 20 ICGD COc1ccnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1OC 1844841715 NSNWBNBHKHVDRN-UHFFFAOYSA-N 440.460 0.228 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386331 AYAVTOKUNPUBDT-MRXNPFEDSA-N 429.521 0.381 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847692040 DPIBUPLDNVHYOE-HOTGVXAUSA-N 446.416 0.788 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C1 9930776 CNBSNJUBTYWNEB-UKRRQHHQSA-N 443.547 0.303 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 16128100 NGUBGKCMGVWEBP-UHFFFAOYSA-N 425.488 0.331 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 725873624 OHPSNDFJZFQYBV-UHFFFAOYSA-N 435.481 0.984 50 20 ICGD CC(C)c1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnc2ncnn12 728327381 JDSXOOFITORUAO-OAHLLOKOSA-N 440.416 0.392 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2cc(F)ccc2Br)CC1 728744415 ZTCBFRSJZMQDKN-UHFFFAOYSA-N 430.278 0.743 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1Cl 728826731 ARHLQMUHZNCFSF-CYBMUJFWSA-N 445.701 0.991 50 20 ICGD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NNC(=O)Cc2cccnc2)c1 728892362 VOHTTXJDAYCQEM-UHFFFAOYSA-N 425.474 0.945 50 20 ICGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNc1ccc(S(=O)(=O)C(F)F)cc1 728977513 RTCOKDIVCZNMDQ-UHFFFAOYSA-N 444.441 0.865 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN2CCCS2(=O)=O)nc2ccccc2c1=O 733265946 NINHBDDUGTYQLI-UHFFFAOYSA-N 437.522 0.690 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC2=O)cc1 734239490 DRZYFMCLXWPLRC-CYBMUJFWSA-N 435.481 0.903 50 20 ICGD C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)CNC(=O)c1ccco1 743578660 YWWOABBGJTYACU-INIZCTEOSA-N 428.493 0.551 50 20 ICGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621726 FMXMTJZJIUUVFP-ZDUSSCGKSA-N 449.576 0.071 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccn2c(I)cnc12 750602209 WGNVUXBABGICNX-MRVPVSSYSA-N 448.242 0.135 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 751203808 SCWIJAIYRFLKOD-LLVKDONJSA-N 449.261 0.972 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753964948 CYSUOKSLSGNADB-UHFFFAOYSA-N 440.522 0.751 50 20 ICGD Cc1nn(C)c2ncc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc12 755848028 RIWOQYFKMAAJJJ-UHFFFAOYSA-N 431.478 0.994 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 758047946 ZPYURRGMKHQBSP-SMDDNHRTSA-N 447.355 0.671 50 20 ICGD C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 758803590 MGNJKTDFDZDZQA-MRXNPFEDSA-N 425.493 0.561 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)Nc1ccccn1 758832140 TYQAXLUBDRYSNY-VBKZILBWSA-N 443.460 0.897 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(C)c2Br)cc1 760158892 MNQISTPBFFTTDS-UHFFFAOYSA-N 444.311 0.573 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(C(=O)C2CCCC2)C1 762092012 KSWKXYXPGNVBJS-AWEZNQCLSA-N 436.538 0.715 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3nn(CC)c(=O)c4ccccc34)ccnc12 763257489 LSKDQXNABWZXHP-UHFFFAOYSA-N 449.427 0.711 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)c1 763623803 NKWVTJIAAWVMAB-UHFFFAOYSA-N 441.412 0.842 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 763630940 SCKYDVKJDXHPST-UHFFFAOYSA-N 425.445 0.685 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 763681875 RXLDHDZQXYBOBW-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 763920036 BYRZCSCHRMNQAH-UHFFFAOYSA-N 434.449 0.694 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764023602 AJEFUPPUGKCFCU-KRWDZBQOSA-N 438.444 0.044 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764033755 NYKWDRPPFPAVHO-UHFFFAOYSA-N 436.515 0.883 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 764163783 MHTYZYJPCYCVOG-QGZVFWFLSA-N 426.477 0.630 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 764399221 JXCIAJJVEIMABJ-NSHDSACASA-N 434.840 0.535 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 765374832 ZEYRBPOMJIUUFU-UHFFFAOYSA-N 439.472 0.904 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)n[nH]1 765587512 XVLBFAKZFQTIAX-ZDUSSCGKSA-N 441.897 0.366 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 767248756 RWGQWDAMFXILIV-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)C(C)(C)O)cc1 768248038 UDYYAOKRQZUAHW-CQSZACIVSA-N 433.552 0.404 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 772883509 BSNWAYZLLDGDMT-NRFANRHFSA-N 430.892 0.741 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 773643459 RDAIUQDKNMEBTB-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 782833291 FKTIAMIBSXQCLH-UHFFFAOYSA-N 428.426 0.987 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCc2cc(F)c(F)cc21 782895932 AZIXWDLVSYSXEA-UHFFFAOYSA-N 437.428 0.608 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 782966217 LHGMOQCVVIXNGE-ZDUSSCGKSA-N 438.868 0.652 50 20 ICGD COCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784005018 WUTDTAQMSYZLTM-UHFFFAOYSA-N 438.824 0.474 50 20 ICGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 789156092 OAGUJKLDIQUADT-GFCCVEGCSA-N 437.522 0.998 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@]2(O)CCc3ccccc3C2)cc1OC 792801022 SMEWUIGYRSITJT-QFIPXVFZSA-N 428.441 0.928 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)cn2)cc1 793021598 GNGVBGNTPRJHOS-UHFFFAOYSA-N 425.449 0.539 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(F)cc2nn[nH]c12 800518057 WPPONEIGCKDXMO-UHFFFAOYSA-N 425.424 0.316 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COCc2ccccc2)cc1OC 810424880 XQLRMUKFRPMNDW-UHFFFAOYSA-N 437.474 0.346 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)C(=O)Nc1ccccn1 810529071 ZMVRYSWSXDMLRN-UHFFFAOYSA-N 427.442 0.299 50 20 ICGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 811675564 SDWXXORUNPSAEJ-UHFFFAOYSA-N 432.414 0.845 50 20 ICGD CC1(C)NC(=O)N(c2cccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)C1=O 812973483 ZBOJNJHTYCVFPO-UHFFFAOYSA-N 449.431 0.964 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NN=c3cc[nH]cc3)ccc21 815589173 KKXUZYQDOSHJDU-UHFFFAOYSA-N 433.371 0.587 50 20 ICGD Cc1ccnc(-n2nccc2NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751983 XCIMAEMZWHAXHT-UHFFFAOYSA-N 443.489 0.908 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1C 817053783 GEWDGYRZRPZYFO-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD CCn1c(NNC(=O)Cn2cc(Br)c(O)nc2=O)nc2ccccc2c1=O 823911880 YEOKOZXVUZDNBS-UHFFFAOYSA-N 435.238 0.585 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 913429500 BYURRUHGHPTHBQ-JOCHJYFZSA-N 437.456 0.648 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)n1cncn1 914603815 VYPSWTRFKOTBIR-AWEZNQCLSA-N 428.474 0.779 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 914612788 XFDMJEMZZWVKHW-UHFFFAOYSA-N 428.478 0.268 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915684754 BXBFAIMQAVJQRV-YJBOKZPZSA-N 426.408 0.892 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccccc2C#N)c1 918091560 YAVSXCHBPXNNRD-UHFFFAOYSA-N 425.445 0.983 50 20 ICGD O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888525 FDTDEPQKZSVMFT-SKDRFNHKSA-N 432.911 0.660 50 20 ICGD O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889899 WLBMAEIKXCBREI-CYBMUJFWSA-N 428.470 0.672 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc1C 921295274 NHKDSSHMTDWKNY-UHFFFAOYSA-N 443.478 0.794 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2cccc(CS(C)(=O)=O)c2)c2ccccc2c1=O 1325029285 YRRHLJPIWJUAFC-UHFFFAOYSA-N 443.485 0.622 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 1777841101 JRXMERUEDFWKCD-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029597 ZIWKROUQYJLQEQ-HXUWFJFHSA-N 429.502 0.812 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372477 JLMOMTXECZCSIN-WHQZHXTLSA-N 431.493 0.363 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780391819 HOUCPIBKPPBQDH-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1781215128 IGUGTVAVINJEPB-VQZRKKFQSA-N 438.912 0.840 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781860759 XMTWVGKENVNUCH-WZDAXMPFSA-N 425.869 0.186 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784824245 UKDAGGOBDVOWTE-CPOKCXMASA-N 431.493 0.255 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cc(O)ncn3)cc2)CCC1)c1cccc(B(O)O)c1 1786467038 ISAWKLMSPIMJBX-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791349195 ANAMIBUAJQUVKH-FQKPHLNHSA-N 430.343 0.666 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792872918 GMALRGVLCBDBPU-GZFHQYITSA-N 432.359 0.912 50 20 ICGD COC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1ccccc1 1792975600 WDBJCTKTLFKAGG-BQJWPVKWSA-N 439.896 0.273 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794385797 PNGHBHYTXYFGTJ-VVSAWPALSA-N 438.912 0.885 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC1CCCC1 1795038480 FJWDSTVNKUMTRH-CWPLJXCYSA-N 429.521 0.859 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc(F)c1F 1795740949 RMXKPHQKMBXIPQ-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(OC(F)F)cn1 1796190804 NIVJNYVCDPVEPS-MUJYYYPQSA-N 445.231 0.928 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc(F)c1[N+](=O)[O-] 1796192994 HBOUTUHYZMJIBA-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C(F)F)c1=O)c1ccc(B(O)O)cc1 1798667473 PLJYOZWWDFOPIO-MUJYYYPQSA-N 445.231 0.489 50 20 ICGD COc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799449810 OWRGQSAUELACPA-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800158510 OFYJBIKVHUPNGF-XVIXHAIJSA-N 437.262 0.810 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1804211287 JWVOLMIOPQPMHX-KRXQYRFLSA-N 430.509 0.242 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)on1 1804260387 GVJWYZNGHANOMW-JTSKRJEESA-N 442.520 1.000 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807360928 DEHKLTLYKAOIOT-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1808407491 AIRQJFKGTSPAJO-LXNDAJKASA-N 440.504 0.992 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1808661546 MKLHKLRJUKFOAZ-DHMWGJHJSA-N 444.305 0.371 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCCC2(CCN(C(=O)[C@@H](F)Br)CC2)C1 1809662908 KQFFOBLYVRGFMU-GFCCVEGCSA-N 444.238 0.633 50 20 ICGD Cn1c(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cccc1=O 1809968260 OTOVANCOEMZPKW-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1c1cccnc1 1810300490 ZEPLCPXQCDOIRK-PBHICJAKSA-N 434.460 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCOC1)CC2 1819800872 BWCQMQPRDKQPBP-NWDGAFQWSA-N 444.517 0.794 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822185201 YURNRAVAQWPBCT-JBLDHEPKSA-N 429.319 0.778 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cncn1 1827060153 QAGRYDIMUNZPRJ-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)no2)CC1 1828924140 JIDYCWQUYKBXMW-MRXNPFEDSA-N 442.476 0.926 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1830363554 BULUNJOMQRJLJL-OAQYLSRUSA-N 449.939 0.993 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1830534488 AEBQXFQQZCOCQP-ABAIWWIYSA-N 433.328 0.639 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1830534491 AEBQXFQQZCOCQP-XHDPSFHLSA-N 433.328 0.639 50 20 ICGD O=C(c1scnc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724946 KFWURLHVMMMLHW-FZKQIMNGSA-N 429.926 0.690 50 20 ICGD O=C(c1snnc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728623 WMGMYSJOFQOEPY-SJCJKPOMSA-N 430.914 0.085 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1ccnc1 1830981368 AFAHPUDEOLZBIH-DVOMOZLQSA-N 433.278 0.591 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831835543 YBMMXOYVKUSVDK-LSDHHAIUSA-N 431.917 0.403 50 20 ICGD CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1831871671 WKCRDJSQBOULEH-SJORKVTESA-N 439.557 0.042 50 20 ICGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835245345 NXZHMILQNQFLLW-SJORKVTESA-N 427.325 0.342 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1)[C@@H](F)Br 1836412837 XVQVTVWPWZYOGM-OAHLLOKOSA-N 431.310 0.540 50 20 ICGD C[C@](O)(C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1836713816 MDLGMPISJAZHOV-BBRMVZONSA-N 430.851 0.898 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cccnc4n3)CCO2)C1 1836834341 LBOIMHNFNATRHC-IIBYNOLFSA-N 448.907 0.954 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837566803 NAKQNYSEPUPBGS-VKEIJJBBSA-N 446.273 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cncc(O)c3)CC2)CC1 1838776978 OBTRBUAVEBXOJT-UHFFFAOYSA-N 447.536 0.772 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1C 1838985560 KQEWPQUFDUSSAW-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n[nH]1 1839153359 HLLCMFXCGRBICH-QZTJIDSGSA-N 433.336 0.953 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839197619 CBQFIBBYJJUFJU-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202396 DVLODYOZTISVLI-WWQFSPIMSA-N 436.278 0.173 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1ccnn1 1839708973 RUJRNZWICWWPKV-YJBOKZPZSA-N 425.562 0.147 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103417 ABUJFPZLAFDBTF-FQEVSTJZSA-N 429.945 0.720 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 1840185207 MIMTXVQVJYIYND-FGZHOGPDSA-N 436.553 0.562 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841356336 QLHRMWCRYCGJTR-HNNXBMFYSA-N 439.557 0.724 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1844691850 HTPKZQRWVJETCI-AWEZNQCLSA-N 444.444 0.863 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Br)C2)nc1 1845217013 ZQLJSUDKNZVZHU-GFCCVEGCSA-N 434.287 0.993 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1847564321 TXVIQCQDGMPUMR-ZOBORPQBSA-N 447.916 0.244 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CC1 1847567936 GKEAFLYBVFCOHQ-JYJNAYRXSA-N 444.960 0.341 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC 23393983 CUTRKCGPTHNACD-UHFFFAOYSA-N 429.476 0.365 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(Br)cc1F 728503554 VXKYPAQBOYKHGP-UHFFFAOYSA-N 440.247 0.209 50 20 ICGD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308018 QVGONKBJJONTHC-GJZGRUSLSA-N 427.548 0.429 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 732590652 USPVHHCSWVBFFY-LLVKDONJSA-N 426.355 0.041 50 20 ICGD CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 732984429 TUFSPGPDPFFNCL-UHFFFAOYSA-N 436.456 0.736 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 734263037 WOSHARGOPLNUHQ-UHFFFAOYSA-N 448.274 0.627 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)COCc2ccccc2)c1 738545802 PXEUZAWOEUBKLB-UHFFFAOYSA-N 448.501 0.031 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(OCCN(C)C)cc1 748133891 SRJTWBNRDHHVSV-UHFFFAOYSA-N 434.522 0.052 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2c1=O 748517040 NXIIWYQUOXLJQB-NRFANRHFSA-N 434.412 0.063 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 751211212 OHWXJPHKPXOZRK-UHFFFAOYSA-N 433.446 0.684 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 755959898 FAEISKYYRPEAQF-UHFFFAOYSA-N 438.444 0.867 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCO[C@H]2CCOC2)cc1 757252011 KAIRANJPMMMONL-HNNXBMFYSA-N 428.511 0.142 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 759663314 WGRWFFMPFKOGFM-UHFFFAOYSA-N 425.511 0.074 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2scnc2C)cc1 760196855 UUKOCLFUYRFWKV-UHFFFAOYSA-N 440.503 0.684 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763735413 PTIPFZYQJHDCLV-UHFFFAOYSA-N 442.497 0.555 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 763825427 WZYUFFNCWYWXJW-UHFFFAOYSA-N 438.469 0.910 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@@H](C)O1 763838756 UIKWQIIKCHOQLD-ZIAGYGMSSA-N 445.451 0.999 50 20 ICGD CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 763998321 PGEFWFFJNLKWRP-HNNXBMFYSA-N 447.517 0.871 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cccc21 764368488 XBYUDYBZZQRSQF-UHFFFAOYSA-N 446.485 0.311 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764405240 QWNKDNCTSYOTNM-UHFFFAOYSA-N 445.501 0.771 50 20 ICGD Cc1c(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 765319400 XMJMXJZMVKKQBZ-UHFFFAOYSA-N 448.480 0.007 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1 766269746 DTVZMTCSZHZKFS-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 766309447 ZKGFDYOWWVZROH-CQSZACIVSA-N 441.849 0.354 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccc(F)c3)CCCC2)n(C)c1=O 766636795 OZMCPOYXKIWGFE-UHFFFAOYSA-N 442.451 0.232 50 20 ICGD O=C(COC(=O)CCc1cccc2c1OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 770448704 SDNKMCBOCUWUQC-KRWDZBQOSA-N 428.397 0.879 50 20 ICGD CCOC(=O)c1c(NC(=O)NNC(=O)Cn2nc(C)cc2C)c(C#N)cn1CCOC 775765760 OHLXDQGBYPYNOZ-UHFFFAOYSA-N 431.453 0.849 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccn1 777420610 WCUICBNTIFFDAG-UHFFFAOYSA-N 441.532 0.994 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCn3ccnc3C2)c1 779665330 JGXFWWJVHLZLGJ-HNNXBMFYSA-N 434.522 0.873 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ncn1 783939681 KUELWTMVFMJAGA-LFVJCYFKSA-N 431.478 0.680 50 20 ICGD C[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CO1 784018869 ZUVYYXRZNJCBIU-HOCLYGCPSA-N 425.507 0.213 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1 785330455 HTAIBVCWIPBYJE-UHFFFAOYSA-N 435.458 0.896 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788336774 DKGIIVIOTHACMY-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD CC(C)c1csc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 789732912 SAGZTMRWZFFVOO-UHFFFAOYSA-N 439.519 0.917 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 799673923 SOCUETAJINDEEZ-UHFFFAOYSA-N 448.473 0.973 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c(OC)c1 800627667 OOOLZIKTSAWRHU-UHFFFAOYSA-N 449.489 0.705 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc2c1=O 807459823 OUSZAHYVJWASBO-AWEZNQCLSA-N 441.492 0.558 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CCCSC3)nc2)CC1 807594722 CJHAFKFZCSTCFW-CQSZACIVSA-N 428.584 0.787 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc2[nH]ccc12 808934931 YANOTQRWIYYFHZ-UHFFFAOYSA-N 435.396 0.991 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 815692150 KMPQQYPEIBYJIN-ZDUSSCGKSA-N 436.476 0.703 50 20 ICGD CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2F)ccn1 815779318 ZVKAEJLQQPDYBE-MRXNPFEDSA-N 445.407 0.638 50 20 ICGD CN(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 818563591 PNTKEMQMBYANGC-KDOFPFPSSA-N 426.470 0.085 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 914109766 HQPNBYLPDGDNGA-UHFFFAOYSA-N 439.472 0.904 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 914445343 VXXQKPNFVLSZAV-QWRGUYRKSA-N 444.307 0.384 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914829820 XMPYTFXEEHQGNJ-DGCLKSJQSA-N 445.950 0.615 50 20 ICGD CC[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C 918225126 FMPGFRUFORFEKT-BEFAXECRSA-N 426.539 0.986 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)c2ccccc21 919131165 ZRZGRZHDTXMFJX-UHFFFAOYSA-N 444.473 0.132 50 20 ICGD N#Cc1ccc(N2C[C@H](C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2=O)cc1 1318254063 NPLYLNZYDZALJB-QGZVFWFLSA-N 433.472 0.765 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(C(=O)CCOC)CC2)c2ccccc2c1=O 1319447217 JCTZNKLWCKHSEO-UHFFFAOYSA-N 444.492 0.388 50 20 ICGD C[C@@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1320341605 SISZIURQGGPZCS-AWEZNQCLSA-N 426.543 0.452 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(S(C)(=O)=O)s2)c2ccccc2c1=O 1326144778 VLKWFGOVSZGLCT-UHFFFAOYSA-N 435.487 0.543 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1337259991 HATCZWAUBSPXSF-KXBFYZLASA-N 425.507 0.695 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1778317249 VJFWHARWIJZXLY-JLTOFOAXSA-N 445.944 0.673 50 20 ICGD CCc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779031480 ASLOENDABABUAS-FQEVSTJZSA-N 444.517 0.461 50 20 ICGD O=C(CCCCn1cccc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779195304 BUAKKVXCLSNRAK-QHCPKHFHSA-N 439.321 0.482 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374122 AYENICXBNKVJGJ-SEFBGJTPSA-N 429.521 0.859 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1780713424 SLIQAFFREPOFFR-FSPWUOQZSA-N 434.368 0.577 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333703 QRDIQZXHOOYEBG-CZUORRHYSA-N 433.230 0.937 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782218055 ONIQBYHCZDJBEP-CKUKBARFSA-N 426.297 0.369 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783541931 FRJRSORREZRMJK-XCODNNPBSA-N 433.892 0.326 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783672623 FEAQGTGGSQGRBD-RFGFWPKPSA-N 433.347 0.268 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1783882237 PQCNGIRUIRZGBW-XPTSAGLGSA-N 425.795 0.521 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932201 ORJXNUXQGOYGIU-ZLIFDBKOSA-N 435.315 0.606 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1F)CCO2 1783936663 KPOAJVCSIJTMQJ-NRFANRHFSA-N 436.484 0.407 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784911672 FILOKMZLSLWHOO-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1)c1cccc(B(O)O)c1 1788147754 BVHFSGFBHLOFNY-UHFFFAOYSA-N 432.245 0.511 50 20 ICGD O=C(Cn1ccccc1=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1788180829 UIGRHTVCTZJIDL-UHFFFAOYSA-N 445.284 0.976 50 20 ICGD C[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC=CCC1 1791774752 JJEOYIROJSLQSL-QUZFRVLNSA-N 426.322 0.706 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792887202 NCDFBIVVMRGUTR-XLWJZTARSA-N 433.933 0.479 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1793882684 RTIRSVSLQZONDX-RBGFHDKUSA-N 445.944 0.745 50 20 ICGD Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1794571549 DUWYKDBLFHSTOX-OXISGRLHSA-N 442.426 0.904 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889527 AZLZAOADZGJASH-VDYYNOQGSA-N 430.509 0.673 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797816569 LJOCWAKLZISSNA-KCKFDXLZSA-N 432.315 0.888 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(C)(C)CCl)C4)CC2)CC1 1799190551 IMQSSCPKVQBQJD-BJWYYQGGSA-N 426.989 0.621 50 20 ICGD COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1 1799284069 PTBNCMBHIIYUMK-ACDBMABISA-N 433.273 0.812 50 20 ICGD O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Cl)C4)cc2N1 1800038402 QGMUBWNOHAMMCD-RDBQEKCUSA-N 428.873 0.863 50 20 ICGD CO[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccccc1 1801012925 FMMLUDJZWOTONY-HRQSHJORSA-N 432.521 0.337 50 20 ICGD Cc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013001 PPXYABFGERMBOQ-BBIADKPPSA-N 430.549 0.890 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803614059 XDGUNUUUHKGQLO-MTOHEIAKSA-N 439.321 0.488 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnco2)[C@@H]1c1cccnc1 1803863274 QPSJNAZGHPNADY-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)C1 1805382502 FEXYXQPEEOGDCU-CHWSQXEVSA-N 443.342 0.847 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)no1 1805523413 VFNCCOXKBSNDNN-OAHLLOKOSA-N 426.901 0.544 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805914493 WXUCVXKXAALWOI-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807768065 IZGVOIYDIMFYMM-DYESRHJHSA-N 447.304 0.680 50 20 ICGD O=C(Cn1ccccc1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976906 WMNIVVIUKNVGPY-UHFFFAOYSA-N 437.305 0.073 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293278 BWWMEUIMFSELPM-FHLIZLRMSA-N 426.477 0.171 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1810541883 SZKSAHKKMMAXHI-YJBOKZPZSA-N 427.599 0.984 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813029925 BJMWKVBJZCESHY-NZSAHSFTSA-N 445.712 0.335 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1813071929 ZOMZPKVZUQQMBM-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1813179402 VNJIKLBOPPQHKI-LRDDRELGSA-N 425.272 0.816 50 20 ICGD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813248154 JUKBOKMZNJJZIB-KLFHKAFYSA-N 438.488 0.950 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(F)c1)CC2)c1cccc(B(O)O)c1 1815355029 LTXNBYZMNXOMPN-OAHLLOKOSA-N 440.265 0.897 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ncccn2)n[nH]1 1816000455 UVZCFMYNKCXZHY-OAHLLOKOSA-N 428.497 0.808 50 20 ICGD CC[C@@H](NC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817460281 ACHIBFPFPNLYJC-GDBMZVCRSA-N 428.497 0.712 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSC(=N)N)[nH]n1 1822413792 BAWBJHVNJUOZLO-ZDUSSCGKSA-N 438.558 0.792 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)c1 1822414818 ZIOKUIIFNNSWPR-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1826720729 ZMEVUZDIAMINIT-MOPGFXCFSA-N 429.005 0.843 50 20 ICGD O=C1C[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1827055307 UCMSWRTVBVJSBK-QUCCMNQESA-N 441.337 0.126 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C1 1827056239 BPDYFBSRRXKRLR-UNMCSNQZSA-N 441.381 0.942 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 1828926089 YITJHFJSXNSKQQ-APWZRJJASA-N 429.521 0.955 50 20 ICGD Cc1ccccc1NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722428 BRSADAPTVXPNLL-XLIONFOSSA-N 425.913 0.463 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832559545 PSKRLFRQQMZRAY-RDJZCZTQSA-N 448.289 0.981 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833040290 CBZOVWKSZNEWAQ-NVXWUHKLSA-N 447.305 0.647 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834400807 VFEUTEUPLXKQTC-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)ccn1 1835918968 BKHMJCHSTCFBNS-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3noc4c3CCCC4)CCO2)C1 1836429984 JIFBAMGDFJIDHC-YWZLYKJASA-N 441.912 0.877 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508314 VIBIXLVQNGWUES-MEBBXXQBSA-N 446.258 0.171 50 20 ICGD CC[C@H](Br)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836541766 DJTCTYUUWLFVIO-HNNXBMFYSA-N 442.362 0.418 50 20 ICGD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1 1836718224 LOAFWZSYMAFXCQ-MRXNPFEDSA-N 426.901 0.697 50 20 ICGD Cc1cc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837299307 YMRBUKQQSCENSB-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839145789 QIISPXFYCSNADW-YCRPNKLZSA-N 449.891 0.909 50 20 ICGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197794 INVNWPSDPHCKNN-CZUORRHYSA-N 434.237 0.981 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033400 CFKOLGLBBQXLBG-GLJUWKHASA-N 433.343 0.799 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1840150459 MMFUEYIEQJATHU-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189139 ZFECQKYIEGXRFG-GOSISDBHSA-N 447.319 0.799 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842894298 MRRMJQAPQWNNSS-YLJYHZDGSA-N 444.580 0.909 50 20 ICGD COc1nccnc1C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415582 PJFFQPFEAUCZJK-ZMOGYAJESA-N 425.449 0.436 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)nn1C 1843416469 NTYIAYSLFUOCLE-LPYMAVHISA-N 427.465 0.380 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846176724 ZNSDRTHQTGWQJA-VIFPVBQESA-N 431.312 0.439 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 728187990 ZIAKNPAWOUAOMZ-UHFFFAOYSA-N 432.502 0.779 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1O 728263402 YXHXTUWDTORTSE-UHFFFAOYSA-N 425.375 0.704 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 734663885 NTYPYDVUJQSCJH-UHFFFAOYSA-N 427.464 0.508 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)Cn2cnc3ccccc32)C(=O)C1 741206859 FURZLZZVAFJUNR-UHFFFAOYSA-N 430.465 0.263 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741216922 KLASTWPOKUAZHR-UHFFFAOYSA-N 441.506 0.464 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 744388474 QPEDGTUSQMGFDI-UHFFFAOYSA-N 442.457 0.747 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)cc1C 747437101 DFYFVIMCLAZGIT-UHFFFAOYSA-N 439.519 0.612 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291984 LZBSYNRTZXPWGU-OAHLLOKOSA-N 430.465 0.514 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 753955320 VAPWYUSFDNZZED-UHFFFAOYSA-N 446.489 0.109 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCS(=O)(=O)C1 755001546 LKJXDFKOFIUEIF-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1C 756652842 BEPDOKLKHGOLJH-INIZCTEOSA-N 444.492 0.979 50 20 ICGD O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757247668 JMIAPNFRUPIOFK-MRXNPFEDSA-N 440.522 0.611 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2cccc(Br)c2)c1 758035023 JJTXROYOCDAIEA-SECBINFHSA-N 430.284 0.334 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 758045525 OUEUWPHQTHRBMO-MJBXVCDLSA-N 434.559 0.935 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@]3(C)CCCS3)nc2)CC1 758859580 DNAATZOBACVHKW-KRWDZBQOSA-N 428.584 0.930 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 763441433 DMFGMLMNTXZNES-UHFFFAOYSA-N 440.460 0.742 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 763629051 DFMIBWFVPSSZIG-UHFFFAOYSA-N 427.461 0.660 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 763865895 MDJVURPDJFPJJI-LLVKDONJSA-N 427.396 0.663 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764006933 VTWRXWKJQXEVNY-UHFFFAOYSA-N 444.469 0.825 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 764226268 WHAUJXDMWPTUQP-OAHLLOKOSA-N 449.464 0.089 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764352710 BUYXSSQGIMYLDT-UHFFFAOYSA-N 440.485 0.857 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)n[nH]1 765587509 XVLBFAKZFQTIAX-CYBMUJFWSA-N 441.897 0.366 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3ccoc3C)CC2)cc1 765749164 JQSUYSUVYPWFOB-UHFFFAOYSA-N 427.505 0.591 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 766260601 HWMDDDDAHFNKBZ-OYKKKHCWSA-N 447.477 0.380 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCc1nc(O)c2cnn(C)c2n1 767235794 DCNPVYIAYHBCTK-UHFFFAOYSA-N 426.433 0.243 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767853392 QWZYDIQYXCMAIF-UHFFFAOYSA-N 441.492 0.174 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(CN4CCC(O)CC4)cc3)nc21 770384490 IOEYJXIRVRJXLK-UHFFFAOYSA-N 426.481 0.852 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 773731179 PKCSJBGELUJKSH-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C#N)cn3)nc2)CC1 780649851 YPBICWCUBVDZPN-UHFFFAOYSA-N 430.494 0.111 50 20 ICGD O=C(NNc1ccc(Cl)nn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784792172 GVIWJBCEXFDFNG-CQSZACIVSA-N 446.851 0.226 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 784916184 UYWNSNYVPKLUHU-UHFFFAOYSA-N 441.510 0.501 50 20 ICGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 786414786 QWIDJGTXPCDVPU-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789813925 YBSAJNLCCCFEBZ-YOEHRIQHSA-N 449.460 0.888 50 20 ICGD C[C@@](O)(Cn1ccccc1=O)C(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 790856593 CEJANIQLYPNVRI-GOSISDBHSA-N 449.514 1.000 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794063274 DNRWLAMLPIFWKI-UHFFFAOYSA-N 438.462 0.526 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1cccc(C)n1 794599483 GEJUNABSVKELEG-UHFFFAOYSA-N 428.492 0.784 50 20 ICGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1 798121082 MTWXMVJOPWBBHM-MUUNZHRXSA-N 442.563 0.716 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1c(S)nc2ccccc2c1=O 799633668 DWRFSFWNDSXOKV-UHFFFAOYSA-N 436.494 0.540 50 20 ICGD O=C(CN1CCC(S(=O)(=O)N2CCCC2)CC1)NNC(=O)c1ccccc1Cl 800483089 XIVIRCYOTSNZOP-UHFFFAOYSA-N 428.942 0.991 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 802064022 GJCONPWEDIYQEB-UHFFFAOYSA-N 442.457 0.841 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 806978305 VVMGVPCBKHLHOP-DLBZAZTESA-N 447.451 0.355 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810390749 XTXZVHPRLVAUHL-LBPRGKRZSA-N 427.339 0.392 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccnc2-n2cccn2)cc1 813033983 UCXIRTJQRCXILR-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 815564397 HTLNZVQAAGXRJI-LBPRGKRZSA-N 448.457 0.520 50 20 ICGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815691402 PDLMLAZGGOLGMD-SECBINFHSA-N 437.254 0.398 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ncc(Cc2ccccc2)s1 815691717 ZAXBOQDNCCXDOW-ZDUSSCGKSA-N 425.474 0.674 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)CCN1 906443185 IZCZPVUTZGSATP-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 915077127 DJCINPAPIACGDE-UHFFFAOYSA-N 437.499 0.705 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2c1=O 916577895 KUZHPZNEDPHBMQ-NSHDSACASA-N 426.399 0.762 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)N[C@@H]1CCS(=O)(=O)C1 919885333 ONPYETHXNMUOPI-LSDHHAIUSA-N 430.486 0.710 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 920473669 USOCTETYNUYIMS-APPDUMDISA-N 425.536 0.503 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1-n1cccc1 928989328 SXMKJAMPWADBOS-INIZCTEOSA-N 425.401 0.355 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 1317953522 YTOIOZYGVBMUQB-MRXNPFEDSA-N 444.513 0.867 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)nc1 1318672956 PSWTUJCATVZJKB-CQSZACIVSA-N 436.542 0.751 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)cn1C 1778285234 DGIKPJGWFGIWDT-NFBKMPQASA-N 439.321 0.455 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780641839 FRFYTWSPXPRZHZ-NEYJZJCJSA-N 445.004 0.390 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2)[C@H](F)Br 1780773747 VOSMZRYTRQTPHD-OHUAYANFSA-N 447.261 0.706 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2)[C@H](F)Br 1780774043 UTXXNBZVUVJGRQ-DVOMOZLQSA-N 434.262 0.985 50 20 ICGD Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781559485 NQFFNMUVDRCAKC-DYESRHJHSA-N 434.541 0.078 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783149720 QGTIJVVOXQLZME-FQEVSTJZSA-N 448.432 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cccc(O)c3)C2)C1 1783275623 KLHKDBNDRLWCCT-XOPAWIAISA-N 430.505 0.608 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1783934998 ONXBSXBJDJRXRG-JOCHJYFZSA-N 427.505 0.569 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1783964602 XVCGCIZGPBRYFO-XUXIUFHCSA-N 433.347 0.268 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712489 QSEYSEWZFGQJQJ-AUSJPIAWSA-N 445.944 0.985 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979968 UXPRALJEHHQNNV-IHPCNDPISA-N 442.346 0.654 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4c3)C[C@@H]21 1791293727 FKKDETQXCPMPSV-SNRMKQJTSA-N 442.520 0.301 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1792868871 TXAOYQOKHHRFNK-OHTBPHCPSA-N 429.315 0.215 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc(C(F)F)c1 1794269945 OSVURFMXYBBSQN-JLVBRIDZSA-N 445.231 0.216 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(Cl)c1)c1cccc(B(O)O)c1 1794731615 UOXLHQYTUJKKKR-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795847099 CWCKYRXVTGXKIS-ABXQLRGKSA-N 432.304 0.835 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796541384 KYZVRHPMYWQHIW-YALNPMBYSA-N 433.896 0.724 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751903 YBGGKDRZQCABBF-JLVBRIDZSA-N 429.521 0.881 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800644009 CSLCWQOGQIDZAT-WYFGTUCQSA-N 444.248 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1Cc2ccccc2C1 1802196098 OJGCDJVCKXFTNX-RMFSNUHRSA-N 449.511 0.303 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802661568 ZBMNPCODHURMBC-UZLBHIALSA-N 440.504 0.825 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1805553192 UJPQCGNCMQUAHS-RXVVDRJESA-N 445.288 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1CCOCC1 1806698179 KXEDJWPLAMUNTJ-FPOVZHCZSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374474 ZSBBXLYSMYYMSC-DYESRHJHSA-N 433.277 0.047 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cc2n(n1)CCCO2 1809855806 YVQJZGZMETZXIS-ZVZYQTTQSA-N 433.896 0.980 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(F)n1 1810754491 RXDXNBISKUHMCN-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069875 AQCGDLLQIMJIPJ-HXRLCAAQSA-N 445.520 0.580 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1813072214 BSRPMWMVHYZNIE-NQIIRXRSSA-N 440.504 0.408 50 20 ICGD CC[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067409 AMTHHAMFJMOVDY-LPEHRKFASA-N 446.371 0.821 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cc2n(n1)CCCO2 1819112159 CWBBWYMXDVOXBA-CABZTGNLSA-N 425.898 0.948 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876276 FHUQDTNJIXBEDO-IAQYHMDHSA-N 430.958 0.971 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1830537035 AMTORLIFSHDDJZ-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830539527 IBHZJMOXMZMTCG-BDJLRTHQSA-N 432.271 0.481 50 20 ICGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726913 WCSXPENVKPQCPM-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732188 VRYIQIOHCJRYJF-QAPCUYQASA-N 446.957 0.007 50 20 ICGD CN(C)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830732576 SXIUSPMWTIPVJF-YLJYHZDGSA-N 425.913 0.422 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830787761 XSKYEKFPSXBLGN-IGXAAJLOSA-N 443.504 0.543 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831656315 CYQCFRUGYKSRFV-BEFAXECRSA-N 432.949 0.223 50 20 ICGD Cc1nnc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)s1 1833307876 CBKSJBRWWAMZKA-INIZCTEOSA-N 444.001 0.950 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833482174 BZYCYQJGPSUFHE-IUODEOHRSA-N 425.954 0.773 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835939895 NAPBYQXFHIJQKX-QFIPXVFZSA-N 444.337 0.263 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1838789387 OSTVYURKKRUMBH-QGZVFWFLSA-N 438.569 0.785 50 20 ICGD O=C(c1cc(=O)cco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197846 JVFAFQMAOGHEGM-CZUORRHYSA-N 433.230 0.400 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198743 ARQHYZPGTOBJBJ-RISCZKNCSA-N 441.323 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202721 NTMNWGLYSBFPTI-COPLHBTASA-N 431.686 0.387 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839647393 BJAXPUUHVVVHJX-JVVYVMHDSA-N 427.574 0.334 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840031271 KVOLOAWOXWXBJL-GUYCJALGSA-N 429.315 0.582 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031347 NANMGZKTELDFTR-QFYYESIMSA-N 433.278 0.711 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184955 CVVSXJAANPTOPV-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840901695 QRBMZDITQRXPDY-UVFQYZLESA-N 441.887 0.796 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1840927629 QDSGVDNAVJIVLG-LJQANCHMSA-N 446.386 0.960 50 20 ICGD CC(=O)CCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842655009 HLJBEQBNHGLQNW-UHFFFAOYSA-N 429.521 0.905 50 20 ICGD O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNc1ccc(S(=O)(=O)NC2CC2)cc1 60369002 YOKJUVMCUPSVFQ-UHFFFAOYSA-N 443.485 0.664 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(NC(=O)c3cc(C)on3)CC2)cc1OC 116075855 CCHVUFRJSYLBIU-UHFFFAOYSA-N 445.476 0.656 50 20 ICGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728333406 XQBXIZBYQNPCND-PBHICJAKSA-N 433.461 0.554 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C1=CN2CCS(=O)(=O)N=C2C=C1 728550050 VCDXASXLOFWPCN-UHFFFAOYSA-N 443.254 0.847 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728958889 GMJSBPQJAAIVJQ-UHFFFAOYSA-N 441.492 0.696 50 20 ICGD CC(=O)N1CCC(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 729623573 HMIFHSMFCCHRRE-UHFFFAOYSA-N 430.553 0.788 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 730206704 ZOGKDUGUIVOBIJ-CQSZACIVSA-N 448.476 0.890 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 730270546 FSTXTXXUCHFRLH-IBGZPJMESA-N 440.566 0.374 50 20 ICGD CC(C)(C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccccc1 731830150 YEXACEXVGBAQEQ-UHFFFAOYSA-N 426.458 0.837 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 732050418 UQBZNTFRJUVNJJ-GOSISDBHSA-N 432.521 0.543 50 20 ICGD Cc1oc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 732260560 FZDGUAZVBNJSSS-ZIAGYGMSSA-N 442.538 0.633 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(S(C)(=O)=O)o2)cc1 733124089 RGVHERSWEVPVHA-UHFFFAOYSA-N 429.476 0.073 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc21 734239711 ALLOEQCPTJUMBG-UHFFFAOYSA-N 434.453 0.178 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 740851247 WCWMGOUAEVEVIV-CYBMUJFWSA-N 430.552 0.662 50 20 ICGD O=C(NC[C@H](O)c1c(F)cccc1F)NNC(=O)c1csc(N2CCOCC2)n1 740903087 JNGSISPVCUJRHE-ZDUSSCGKSA-N 427.433 0.936 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)C(C)(C)c3ccccc3)CC2)cn1 741277745 OMSSQCUMPZRRCM-UHFFFAOYSA-N 448.549 0.881 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)c2ccccc2c1=O 741743415 ORCDOQHIZSNWQI-UHFFFAOYSA-N 448.443 0.377 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnc(O)c(Br)c2)ccc1Cl 742036702 NRCURVYFEDLSKN-UHFFFAOYSA-N 449.670 0.925 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)n1nnc(-c2ccccc2)n1 742478885 WHQYXURSBMFIMH-SNVBAGLBSA-N 449.880 0.663 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 743900699 CNVXOUUUOVPZGZ-UHFFFAOYSA-N 445.457 0.190 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 745882206 FUWPGPRGDMWDTR-AWEZNQCLSA-N 430.465 0.724 50 20 ICGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 747352355 IHJWMEZJTZNRFS-KRWDZBQOSA-N 434.460 0.693 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748247688 UQMKGVQEAOYBEK-OAHLLOKOSA-N 436.534 0.942 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2OCCc3ccccc32)CC1 750537098 BDYNCKPJPQRJQG-SFHVURJKSA-N 431.518 0.775 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C[C@@H](C)O1 751425867 LUVKPJBCZIGQLO-GASCZTMLSA-N 438.550 0.659 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1nnc2ccccn12 756432125 HLGQBBAWEBRKFX-UHFFFAOYSA-N 429.462 0.980 50 20 ICGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 756764327 GBULHTZJTIFQFF-UHFFFAOYSA-N 449.537 0.696 50 20 ICGD CN1C(=O)CCc2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 758577335 DQYGYCPRCBOLBX-SFHVURJKSA-N 439.424 0.740 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 762971395 IAZKGALLURXJCE-CYBMUJFWSA-N 433.490 0.020 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccncc2)c1 763466320 MHSLYIXZXCIPNV-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764266536 MKHTYRDTWMIAIQ-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 765318721 NJHOKJPQASVBFL-UHFFFAOYSA-N 433.465 0.911 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2C(=O)NC)c1 766276934 RICKFGUQKCBODU-HOTGVXAUSA-N 439.538 0.576 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccccc2Cl)n(C)c1=O 766645300 SCXAXUFPKOXWNT-UHFFFAOYSA-N 432.868 0.212 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1 771609253 YHMRUJJUMWFGHK-UHFFFAOYSA-N 429.838 0.654 50 20 ICGD O=C(COC(=O)c1cnc(C(F)(F)F)nc1)NNC(=O)[C@H]1COc2ccccc2O1 778446244 ZZQJWGCYNXBCIU-GFCCVEGCSA-N 426.307 0.640 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 778480806 SFYYDAPSFMMIET-HNNXBMFYSA-N 440.416 0.058 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)c2ccccc2c1=O 781071262 SEGVDMXNHGCUNB-UHFFFAOYSA-N 437.456 0.632 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cnn(-c2ccccc2Br)c1 783999864 LWBNJZLGPYJZOE-UHFFFAOYSA-N 449.265 0.343 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 786086634 QHSHQCVRMQBANU-CQSZACIVSA-N 448.863 0.549 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc2ccccn2n1 791253517 OMLLRIDJLGMUKS-UHFFFAOYSA-N 432.462 0.516 50 20 ICGD CC(C)[C@@H](C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 794488437 NSMITQZNUXMADO-GFCCVEGCSA-N 442.542 0.470 50 20 ICGD Cc1cc(Cn2nnc(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)c2C)on1 796518329 DFSUCFSGQRAPID-UHFFFAOYSA-N 433.450 0.243 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)n1 797369734 GUUHVPZGJWIQLK-UHFFFAOYSA-N 431.474 0.573 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2n1 799010754 OIRHNPWNOXJIEL-MRXNPFEDSA-N 425.489 0.485 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 807001154 REYPRVUUVASPCB-LJQANCHMSA-N 439.538 0.103 50 20 ICGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 814698437 FJPHYJFFYIWELS-AWEZNQCLSA-N 443.547 0.447 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1I 815000182 HKOXCQWJFJZULL-UHFFFAOYSA-N 448.242 0.503 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc3nncn3C1)O[C@@H](C)C2 815692470 RRNNKPRWESOVDT-NWDGAFQWSA-N 428.449 0.349 50 20 ICGD CN(C)N(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCS(=O)(=O)C1 860625121 KAWCVEQRQJKFIE-SECBINFHSA-N 440.341 0.202 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 912921029 HYVCPOUUWPLVQP-CHWSQXEVSA-N 441.326 0.826 50 20 ICGD COc1c(F)cc(CC(=O)OCC(=O)NNC(=O)c2cccs2)cc1S(N)(=O)=O 915542997 CABKYORXJOERIV-UHFFFAOYSA-N 445.450 0.090 50 20 ICGD CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC 919877584 AGKKXMQTVPYZNW-IINYFYTJSA-N 447.945 0.695 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2cccnc2N2CCN(C)CC2)c1 921199798 QEQDNVCYTHIFGP-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD COc1cc(Br)c(OC)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1251233378 RRBIXJUKWUUEIE-MRVPVSSYSA-N 436.284 0.597 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnn2ccncc12 1321047914 ZXVSHHCEQWNJPO-UHFFFAOYSA-N 427.896 0.962 50 20 ICGD CO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780967932 DUYKOVFNHUVKPK-VGOFRKELSA-N 447.536 0.197 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781378119 YSVLRXBGPOPOLS-VGOFRKELSA-N 432.521 0.657 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1781786510 BITOGBYWSLBZAI-QHCPKHFHSA-N 433.273 0.190 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1782867648 NCPWYLYNOBISRY-CDXDBMBRSA-N 433.415 0.370 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782959640 FIQJKZUCLOQWQS-WOSRLPQWSA-N 437.356 0.567 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1784615614 UMQIOPZWZMKKKP-YXMSTPNBSA-N 437.990 0.701 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1796440212 IPIIXOOHFPNOQR-IGRYJHFFSA-N 445.505 0.063 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1796446433 WWPJNYVHSKBPQI-AJZHHTSVSA-N 439.875 0.635 50 20 ICGD CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NC(=O)OC(C)(C)C 1799365361 XXRCWEIUQMNEJP-SVZOTFJBSA-N 447.960 0.869 50 20 ICGD COc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799636168 JYSWKNCAYQTXLK-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800644380 RNVKEXYOAMLIEN-MDVSLZIOSA-N 435.315 0.365 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802255810 PZNHGEPFIVCMGU-ZRSLWSEBSA-N 442.321 0.598 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1802546695 JNXLMSRHSCOUCT-LQWHRVPQSA-N 446.552 0.375 50 20 ICGD Cc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1F 1815337100 MKEWFQZZNWSDPA-LBPRGKRZSA-N 443.269 0.533 50 20 ICGD Cc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360291 FAMDWDGCFSACCX-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CC(C)N(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361363 APAIKIPLOIMHND-OAHLLOKOSA-N 430.339 0.389 50 20 ICGD Cn1nccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816478144 MVUAUOONERIVIT-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1818113395 KLLGUVHXHRJUFG-AQXNZCSYSA-N 439.432 0.624 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415186 VZIIOFFUXPTBGU-GOEBONIOSA-N 445.528 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCCN3C)sc2C1 1822599370 KJQJKMOSVFAQBF-DZGCQCFKSA-N 436.582 0.912 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)N1CCN(C)CC1 1822683104 IPQQSSHVQJCIAQ-BZPMIXESSA-N 429.974 0.291 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)CC1 1824928448 UDEFLCLBAGCGCI-SFHVURJKSA-N 448.568 0.587 50 20 ICGD CC(C)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051500 ZKQDNIJPJAZPJR-OAQYLSRUSA-N 429.370 0.988 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830364339 GSFSPFDRPZSWIL-KRWDZBQOSA-N 429.861 0.653 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1830544077 MXKMASMDGONWQB-GLJUWKHASA-N 446.342 0.000 50 20 ICGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834520958 PJHAWVJWSQVFDT-CZUORRHYSA-N 434.262 0.998 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834693734 CRWDQYDMDDQBPA-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835071830 PSWNBWCOLANQJZ-NQIIRXRSSA-N 440.924 0.948 50 20 ICGD O=C(CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1CCCC1 1836713340 DXFFRAXWJJDBLS-SFHVURJKSA-N 443.972 0.987 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837713337 XMWWJNHINVTZBZ-LJQANCHMSA-N 439.589 0.781 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(C)C 1837715267 GHWLLDRLAJXIQO-AZUAARDMSA-N 444.601 0.882 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838929548 UJZFVYZKMCEAIL-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839147382 OOKDQXZFKOOTLY-CKFHNAJUSA-N 449.932 0.303 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840034284 HDGGUCAMVQZAMT-SJCJKPOMSA-N 425.283 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840151025 VDDNFDFEHVYIMJ-FZKQIMNGSA-N 448.303 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cc3ccncc3)C2)C1 1840155026 NDRARFNICHIDQB-PLMTUMEDSA-N 439.940 0.970 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840177082 OPKIIUHUBFGESR-ZOCIIQOWSA-N 434.917 0.466 50 20 ICGD O=C(c1cnn2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187433 ALXJNPIFNHAQPL-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)n1 1840336652 ITHAFHCHZATWHM-NQIIRXRSSA-N 439.940 0.687 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550397 UPJPQJCSHJKYFE-HOTGVXAUSA-N 445.365 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nnc(-c3ccccc3)o2)C1 1844305552 BQZZRGQVGZYDKP-UHFFFAOYSA-N 426.477 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844817981 KLPVQTNLZDXINJ-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1N(C)C 1846385449 HRQBKZPRQOCQIC-UHFFFAOYSA-N 431.537 0.951 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 12702306 BIEBSAAOCCHPQN-UHFFFAOYSA-N 448.461 0.387 50 20 ICGD CN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc21 254732861 LRWDDPIHRINMKG-UHFFFAOYSA-N 428.470 0.818 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 726710619 JDMORDTZCDHDIO-UHFFFAOYSA-N 441.492 0.233 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 728078725 RXPGANHXQWSAJM-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2=O)cc1 728847981 RUYZZEWUHXSJNW-MRXNPFEDSA-N 438.488 0.902 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731630603 JDDMRKJKCQGQTC-IXDOHACOSA-N 432.502 0.429 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 734240217 LGORQIXRWHDUGO-CHWSQXEVSA-N 425.486 0.407 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)o1 734825239 WSROHRORNSVVTQ-UHFFFAOYSA-N 445.498 0.531 50 20 ICGD CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739413961 TYTREJZKGSYIIX-MRXNPFEDSA-N 438.550 0.516 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1 741349642 BORQEGVIISTONZ-KRWDZBQOSA-N 446.529 0.976 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1OC 741646119 FXAVUUBZHWKGCO-UHFFFAOYSA-N 443.503 0.755 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 743761165 KRCXCTYCGCCFLQ-UHFFFAOYSA-N 425.488 0.927 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2OC)cc1 746240204 NDQYEPPASMDCSS-UHFFFAOYSA-N 435.458 0.611 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2nnc(S)s2)c1 747344298 BQPSNYCSGGNXSO-UHFFFAOYSA-N 433.562 0.630 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2c1=O 748605419 LDOMNFGBPGSWCG-UHFFFAOYSA-N 426.389 0.338 50 20 ICGD CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751363879 XWUBMYXQBHMPFT-IAOVAPTHSA-N 436.534 0.504 50 20 ICGD CC1(C)CN=C(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)S1 754111211 UEZUKUICUUOIAM-UHFFFAOYSA-N 446.581 0.933 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(Cl)cc(Cl)c2)n(C)c1=O 755354614 RXYFTBYTPWIRIW-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD O=C(NNc1nc(C(F)(F)F)cs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 755854485 DRADXKJQPSFPQU-ZETCQYMHSA-N 425.414 0.771 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 757594581 GOUZLYVTQBYPSQ-FQEVSTJZSA-N 433.486 0.949 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccccn2)cccc1S(=O)(=O)NC(C)(C)C 763464429 MHHYDTGVVVPVIV-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763660817 HLEWLHTXQVISOB-UHFFFAOYSA-N 426.429 0.776 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 763665795 ODYFLFICCDQGSF-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763678973 KNANSTBTHUJWPA-UHFFFAOYSA-N 438.437 0.241 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc21 763804137 LAVSQEQCPARBAK-UHFFFAOYSA-N 443.372 0.115 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)CC1 763840429 LHKXIDSYVNHCQK-UHFFFAOYSA-N 432.456 0.844 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1 764003437 DEHSLPLCVOZZDG-UHFFFAOYSA-N 426.429 0.916 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1C(N)=O 764040222 IHHCOBITWDMYBS-UHFFFAOYSA-N 425.323 0.608 50 20 ICGD CN1CCN(CCOc2ccc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cc2)CC1 764178704 GTPWSAOKWPVMKJ-UHFFFAOYSA-N 431.537 0.979 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1C(N)=O 764221771 ZONUBBXNGQROEB-UHFFFAOYSA-N 426.216 0.896 50 20 ICGD CC(=O)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC12CCCCC2 765643561 LKYPCSCOFDTEMM-UHFFFAOYSA-N 426.481 0.884 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNc2cnccn2)c1 766260105 IOXRWQZBRZKMPL-UHFFFAOYSA-N 435.510 0.655 50 20 ICGD O=C(NNC(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)N[C@H]1CCS(=O)(=O)C1 767682990 HXJKVKDRVLGKHL-QMMMGPOBSA-N 448.379 0.558 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 771607656 PETBFODNDGKNGJ-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD O=C(NNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 773767074 JIKVNFWYRTZFQW-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 780711108 HDPCAZUXXHDHMQ-NRMKIYEFSA-N 446.551 0.073 50 20 ICGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003772 OLOYDVNYRQJDQV-UHFFFAOYSA-N 432.458 0.831 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784458829 GXOMEJASZZZIBR-HZPDHXFCSA-N 438.525 0.880 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n[nH]2)C1 786739920 KNGZZZBSGVVZDQ-RYUDHWBXSA-N 441.510 0.330 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)c2)CCN1 787134697 ZEAOGZBWQMKWBR-UHFFFAOYSA-N 430.415 0.945 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787543763 NHRAPLBLAFZJBG-GFCCVEGCSA-N 426.495 0.612 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)C(C)(C)O)n2C 787948969 ICJKASGTIRBCLY-UHFFFAOYSA-N 439.538 0.455 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 788166516 OVEQYOXQENIZJV-UHFFFAOYSA-N 448.343 0.106 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C(F)(F)F 805079895 USKYWCHZROCZDC-ZDUSSCGKSA-N 435.428 0.794 50 20 ICGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)N1 810387248 MOJQLPYLIHCKMT-UHFFFAOYSA-N 426.414 0.869 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 813033787 LHVOQJQIJNHDDA-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 838562927 LLMHBOGMMGEXDU-INIZCTEOSA-N 434.474 0.607 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cn(CCO)nc1C1CCOCC1 856692199 IXPJLQAVHIPTCE-UHFFFAOYSA-N 440.460 0.736 50 20 ICGD N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCNC(=O)C2)c(-c2ccccc2)n1 912967376 WBUKZXBPXXCKLE-GZTJUZNOSA-N 432.440 0.872 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2ccc(OCCOC)nc2)c2ccccc2c1=O 916513344 XIONIMMRNVQEIJ-UHFFFAOYSA-N 440.460 0.981 50 20 ICGD O=C(NCc1nccs1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918218904 WTKWBVKORWWEHN-UHFFFAOYSA-N 425.492 0.308 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2S1(=O)=O 919688725 CETVGFIFVQHSHI-UHFFFAOYSA-N 442.453 0.951 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1 920841032 ATBPKGISGFZHFV-UHFFFAOYSA-N 448.457 0.999 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1321685692 KMBBKSKEXCRFQJ-AWEZNQCLSA-N 429.539 0.996 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777974236 UWRSANZKKCJLHS-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccccc1=O 1779270806 RRGSDEFVYOCXFL-SUYBPPKGSA-N 430.274 0.930 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1)C2 1779371257 XPOJPPCSKDOSQS-XMSQKQJNSA-N 438.488 0.521 50 20 ICGD O=C(c1cc2cccnn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779960269 DQXNSFDYTDSXOK-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781213613 RSOHTKFWPDATDC-YVEFUNNKSA-N 430.914 0.299 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782209451 QGKWWMRUEHPQOY-DYESRHJHSA-N 434.541 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 1782210764 ITNNRYPGRPOPID-AUSIDOKSSA-N 446.548 0.952 50 20 ICGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(Cl)Cl)C3)c(=O)nc1O 1783118734 NJWLCJLPMBYNOK-KZULUSFZSA-N 447.319 0.575 50 20 ICGD C[C@H](Nc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786866520 XWMKGDNVAOSZAL-CAMMJAKZSA-N 446.552 0.235 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979811 IRUXZACSYDEUKE-LRQRDZAKSA-N 448.288 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789770752 BCNRPOFABUVSKU-PXOUGSPUSA-N 441.956 0.621 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790657616 GOQSGRXCSISYAJ-NGTHKXITSA-N 441.492 0.066 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 1791254529 WBTHMRVBWFJXPQ-YXWQFLTLSA-N 427.933 0.880 50 20 ICGD Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792640681 FOSZOGJQFZRYKW-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1792867798 HQDRFAFAWYPFEW-JFILPPLUSA-N 436.310 0.964 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793215717 ZMHHTEQXRTXMTG-QUSGHSACSA-N 431.493 0.325 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1793364471 DVLDWLOUHYTNRY-VAECKANCSA-N 427.350 0.719 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793366159 HFXDQCJOEFMCKY-VJTDZRGJSA-N 439.372 0.288 50 20 ICGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795837617 DMCWOUVUFQQHGS-LFSVMHDDSA-N 433.303 0.849 50 20 ICGD O=C(Cc1cccnc1Cl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188331 QJKIVAPADKQPEP-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc2ccc(F)cn2n1 1796192952 DQPJTHGSWLOKLM-BJWYYQGGSA-N 437.240 0.114 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796482737 UXOPPZDHOXFZSQ-MVWRLGRASA-N 448.907 0.623 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Cn1cncn1 1798576134 RREIFUUIWHGDOX-PGDIINEESA-N 440.508 0.686 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799276528 MRUBSOFJLJCQNR-WZTYKQCMSA-N 444.319 0.125 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ccccc2o1 1799907331 QIKVJYPITHFUNU-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801428897 WYQKGQJYFZVDIR-ZTENYAIWSA-N 441.488 0.360 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808434326 YYRIHNRPCMXBLT-FYINFDKHSA-N 446.552 0.327 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977247 BSUUOVRZVXTCLT-UHFFFAOYSA-N 443.353 0.374 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3nc4ccccn4n3)CC2)C1 1809978234 PGFHCLJRDBFEON-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1810252418 LCAVWRXDBWYAIS-CQSZACIVSA-N 444.941 0.283 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(O)n1)CC2)c1ccc(B(O)O)cc1 1815339427 FLTMEGFHGMZLIM-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)no1 1822697043 VAXOHPXKIRWKTQ-SFHVURJKSA-N 437.265 0.935 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)CC2 1826006557 JUANMIFRWHKBKH-MCIONIFRSA-N 444.001 0.945 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830719857 MSCCWOGQVNNVBS-NQIIRXRSSA-N 435.908 0.547 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726952 XPCLAKHJJLJYGC-LPHOPBHVSA-N 429.876 0.209 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1831654361 SWLBWSIXUJQEDV-KBXCAEBGSA-N 434.990 0.334 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166460 NAWZRVWQQNTCIT-GDLCADMTSA-N 447.248 0.540 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793528 PBBACCDXIMOKER-GOSISDBHSA-N 443.888 0.513 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832855635 QLSHNLNGJYYQGL-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834825196 STVILBKPWJHYMA-QGZVFWFLSA-N 447.326 0.571 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835035022 IDCAXYAMFQIGEL-NQIIRXRSSA-N 440.924 0.948 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836041867 BPQVKBPVNXRODY-GOSISDBHSA-N 427.599 0.994 50 20 ICGD CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CCC1=O 1836713615 IDSBWXKWCTYBCE-MRXNPFEDSA-N 428.917 0.193 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837710046 FGLCDOQISSAMRT-LJQANCHMSA-N 429.590 0.163 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376868 LGLQLCGDJKHLMR-GUYCJALGSA-N 443.298 0.426 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839372916 KYZBZRCADQWGIX-ORAYPTAESA-N 428.869 0.891 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1846175330 SGGONVBQYOTWPJ-NWDGAFQWSA-N 434.331 0.859 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847420952 NJDFFOCBAXYBLP-JQFCIGGWSA-N 431.298 0.095 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CN1Cc1cccs1 1847556740 PWZFOLVCQKJTBN-QCEMKRCNSA-N 425.938 0.898 50 20 ICGD Cc1nnc(NNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)[nH]c1=O 10899295 FYQXDURADGEEKQ-UHFFFAOYSA-N 444.429 0.760 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 17195810 NFHTZPYOFWDOMW-UHFFFAOYSA-N 429.458 0.090 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 18021800 VULYIXOSMUNHBG-UHFFFAOYSA-N 444.469 0.380 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccccc2Cl)c1 28772659 BSQBFZFLANOTRG-UHFFFAOYSA-N 440.909 0.993 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)c2ccccc2c1=O 117347836 SGHDNALPWNIYKX-UHFFFAOYSA-N 443.423 0.980 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(O)c3)CC2)cc1 117383047 YSINTCSZFTXDCJ-UHFFFAOYSA-N 432.502 0.468 50 20 ICGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 726135401 JJPOAKNMVDMRNC-YPMHNXCESA-N 434.971 0.758 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 726281797 DGPBKDKOIUIDFI-OAQYLSRUSA-N 436.428 0.522 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 728503024 HNSDSOCGDQOZSH-UHFFFAOYSA-N 434.409 0.601 50 20 ICGD CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NNC(=O)C(=O)N2CCCC2)=NN1c1ccccc1 728967431 LHRFFGMCOIRYHH-INIZCTEOSA-N 429.477 0.733 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672225 DCTCVWWVIVJHEN-UHFFFAOYSA-N 446.551 0.173 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C)c1 730997228 MTKDAFAROFJEDL-HNNXBMFYSA-N 428.511 0.859 50 20 ICGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 731596449 JXSCACFVFJEOPQ-VIFPVBQESA-N 447.516 0.368 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 735584746 YRXMBKUSZYNGTN-CXAGYDPISA-N 430.465 0.722 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744550771 BKLIEKFGADBVCR-ZSEKCTLFSA-N 441.444 0.363 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 747324097 YLTDAFZJLOREFR-HNNXBMFYSA-N 447.473 0.781 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)n1 751840921 VJINLUHFQRJYRU-UHFFFAOYSA-N 440.503 0.263 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CN1C1CC1 753942323 DEBCPKZVTATGGF-LSDHHAIUSA-N 437.570 0.269 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1OC 756513377 CDLKCUJTSOGZCW-INIZCTEOSA-N 434.493 0.178 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1 756843769 INDNPZYNPGSDGJ-UHFFFAOYSA-N 444.427 0.641 50 20 ICGD COc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1S(=O)(=O)NC1CCCC1 757403498 AFLRRSYQGBYILB-UHFFFAOYSA-N 434.478 0.562 50 20 ICGD CN(NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785174 BQSOBESEZPAHDI-UHFFFAOYSA-N 432.543 0.837 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnccn1 760339855 WHJHTLRRVNWNDC-UHFFFAOYSA-N 425.492 0.275 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c2ccccc2O1 763658848 FDCKMSFFFFLFPQ-KRWDZBQOSA-N 443.412 0.189 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 763857960 PWWXYWGMRBVEMO-NSHDSACASA-N 432.408 0.747 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)c2cccn2C)c(OC)c1 763998495 LDUYDNBRSAUBCJ-UHFFFAOYSA-N 426.433 0.687 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 764277696 GOULWAZWHZGAMB-UHFFFAOYSA-N 436.424 0.767 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCCCC1 764287299 ZDJDVBJZPNSRCD-UHFFFAOYSA-N 448.505 0.221 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764387516 UYKBBLQCUKNLEQ-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD O=C(COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)Nc1ccccc1 764431559 DGEMAMXFQRAECS-KRWDZBQOSA-N 442.428 0.205 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2C(=O)NC)c1 766276927 RICKFGUQKCBODU-CVEARBPZSA-N 439.538 0.576 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276820 MXPCWEQQSPUNCH-OCCSQVGLSA-N 449.464 0.012 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 770255646 AICPCCPTKLUEMR-AAEUAGOBSA-N 446.913 0.131 50 20 ICGD C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)N(C)C)cc1 770347033 DVLKQWUYZOHBJM-JTQLQIEISA-N 434.482 0.707 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3nccc(OC)n3)cc2)CC1 773723472 BJFDRCRNFJVLEL-UHFFFAOYSA-N 427.465 0.345 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 774007574 CBMRNJYZJGTCGV-SNVBAGLBSA-N 440.865 0.692 50 20 ICGD O=C(NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1)OCC(F)(F)F 777835723 CQHYWMLTXVASDS-UHFFFAOYSA-N 440.238 0.491 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCC(=O)N(C)C)cc1 782535502 PWBUXEOPIBPEPR-GDNBJRDFSA-N 425.445 0.972 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)nc1 783265843 YNGYAHCCSJHCRM-UHFFFAOYSA-N 446.489 0.735 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)n2)c1=O 784951270 HGRSTNKQDJKSAA-UHFFFAOYSA-N 427.339 0.907 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 785681528 BGEQDDQXBRSBMZ-UHFFFAOYSA-N 444.557 0.992 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)c1 788178501 PTUIRBCLRQHXJH-UHFFFAOYSA-N 429.462 0.677 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nc2ccccn2n1 792395722 UDZKZNGNEZOLPI-UHFFFAOYSA-N 447.477 0.460 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)cc(Cl)cc1C(N)=O 793025751 LZDBUOGALYPSAX-UHFFFAOYSA-N 426.216 0.896 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C(C)(C)C2CCOCC2)CC1 795110491 UUXIKOQPTBFFJR-UHFFFAOYSA-N 425.555 0.914 50 20 ICGD CC1=C(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)[C@H](C)n2ncnc2N1C 798972102 BCWNEBJKJRFSRR-AWEZNQCLSA-N 447.521 0.727 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 806972585 DIAUPJVJPYRHKK-LLVKDONJSA-N 427.339 0.673 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2ccnc(OC)c2)c2ccccc2c1=O 806974388 IZHHTHLRNUWYHF-UHFFFAOYSA-N 438.444 1.000 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)N1CCc2ccc(Br)cc21 815692062 ILYPTVZFKAPUGQ-NSHDSACASA-N 433.266 0.340 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc(C3CC3)nc21 816877493 VPQYOKHEBXINBP-LLVKDONJSA-N 438.448 0.010 50 20 ICGD CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 920212368 GZOXAQWPAJFNMG-CQSZACIVSA-N 426.495 0.113 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1 920739089 UPPNQWUCJAORRW-STQMWFEESA-N 448.492 0.280 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cccc(CN2C(=O)CNC2=O)c1 920932421 JYZIWCMHDFZLEB-MRXNPFEDSA-N 425.401 0.731 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3cccnc3)CC2)c2ccccc2c1=O 1115843682 TUJMVJOXVQSHPB-UHFFFAOYSA-N 434.456 0.642 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=S)NC(C)C)ccc2F)CC1 1322689546 OHQVMXMKYZXDMU-UHFFFAOYSA-N 445.542 0.196 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777995511 JRMRGYNGBYBBCU-KKSFZXQISA-N 448.907 0.700 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779422523 QQUZGHDOSZMTOV-CJNGLKHVSA-N 432.702 0.887 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780486734 PAJAYCKFEIVCGR-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780774582 DUQNLLTYBNRNPN-CTWCOEIASA-N 434.306 0.882 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1781858497 LSAHKFRIDZPMPC-DNVCBOLYSA-N 445.589 0.511 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCOC2)C1 1782691077 QJHYMDKXROBASY-VHXIGTRLSA-N 445.520 0.671 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782718172 IEPLXSMMLFALHH-WOSRLPQWSA-N 439.372 0.718 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccc(OC)cc3)[C@H]2C1 1783769935 QRLPZINBEHOGAR-BHNDVYRESA-N 440.924 0.962 50 20 ICGD O=C(CN1CCc2sccc2C1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785097873 DAPCTTZVAIIZPS-QAETUUGQSA-N 441.981 0.686 50 20 ICGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785648223 HFXVOWJYSPNRBY-MRBYEJRBSA-N 431.262 0.769 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)c(F)c3)[C@H]2C1 1789652660 DYULXLGULWFJNR-MPGHIAIKSA-N 438.475 0.931 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1789865271 OSASGKXIEHPHAG-YXWQFLTLSA-N 440.884 0.754 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12)c1cccc(B(O)O)c1 1793062722 DKNXRVGSWZJASQ-REPLKXPHSA-N 432.289 0.509 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1scnc1C(F)(F)F 1794978668 RFCGPLDIGDXCIK-UTINFBMNSA-N 427.832 0.965 50 20 ICGD O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795299697 IEBXJIROJAWCFP-RMHZUWNSSA-N 432.901 0.974 50 20 ICGD Nc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)sc2nccnc12 1795704837 WEWUXKSDGNQTIZ-DTHBNOIPSA-N 425.898 0.076 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c[nH]nc2c1 1796169941 QOXJTUKCKGHXDR-CCWDJLKJSA-N 449.471 0.078 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1ON=C(c2ccccc2)O1 1796188744 OFARCFTXDQMRQF-YWNPBTLJSA-N 449.272 0.353 50 20 ICGD C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799864753 MOAFNFTVLOGQAU-OQIJWPOYSA-N 430.553 0.566 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885378 FXKKUKIFVFKAPQ-IARIHHJXSA-N 431.880 0.892 50 20 ICGD O=C(CN1CC(=O)NC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1804191306 XHNRSXXRAGKDDR-BXUZGUMPSA-N 428.276 0.443 50 20 ICGD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1807369731 TZYBEGRBCOHMRV-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807514173 PPVSMJJZGDOOLE-XMSQKQJNSA-N 447.304 0.057 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807768067 IZGVOIYDIMFYMM-LAUBAEHRSA-N 447.304 0.680 50 20 ICGD CO/C=C(\C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810137624 IAPNPCRKESQADX-DJKWXERGSA-N 438.488 0.950 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815263383 UFMWIXYXSOLSJZ-OAHLLOKOSA-N 430.339 0.437 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncon1)CC2 1817281629 LLQBJMWNWYMLQT-OEXWIMQBSA-N 442.461 0.886 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1820162254 GFCUIPVVFUFKHH-QWRGUYRKSA-N 427.603 0.499 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085783 CTDVFNICTZZVGJ-AAEUAGOBSA-N 438.554 0.295 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089668 LCHZLAGIWAUDIY-GHMZBOCLSA-N 431.946 0.682 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049057 IICATQRQRLCDFM-JXFKEZNVSA-N 443.353 0.514 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1828923618 PGSFOYQJXSRZJQ-IRXDYDNUSA-N 437.928 0.518 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)cccc1=O 1830358036 KVEDNZVUPIURBX-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831205855 VTTUADJHYYNIMV-KBXCAEBGSA-N 448.358 0.533 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1cccs1 1833030226 QFHKZYPDFOWHLK-PBHICJAKSA-N 433.889 0.469 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3[nH]nc4ccncc34)CC2)CC1)[C@@H](O)CCl 1833310213 CXQXQPREFYRAPA-KRWDZBQOSA-N 434.928 0.743 50 20 ICGD N[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1cccnc1 1833310761 RDOUWQSTGHSELX-MOPGFXCFSA-N 437.972 0.643 50 20 ICGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1C 1833313983 XXPDMUYLESFHMK-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833574539 GGBMVQNKDMOWCQ-YVEFUNNKSA-N 434.276 0.110 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875746 DGJWMANTYHCBRN-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1834769556 LGXMSGLOUBXGKD-BYQXYHSISA-N 447.326 0.593 50 20 ICGD Cc1ncoc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797301 CBQLWFIXIJHLMO-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837454584 FABZQGKYFOCTOH-KUHUBIRLSA-N 443.884 0.562 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837701078 BNJBRECFAPLRBW-JEBQAFNWSA-N 436.336 0.370 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711712 OCYXEGCIGHNGRG-GOSISDBHSA-N 426.546 0.487 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839146784 WLDLDCUTPIAGHN-JLTOFOAXSA-N 449.895 0.177 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152976 PENUASUKOUSKGW-HGRMPGJJSA-N 443.393 0.838 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839532999 NJPJVWFNEIHQGA-YOEHRIQHSA-N 445.289 0.590 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1840150951 ULZSKUQQGYUFPT-FXAWDEMLSA-N 425.913 0.643 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193363 FCINDJRLRCYMPN-ABAIWWIYSA-N 439.328 0.044 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609495 KEDLXTQLCVZFAG-KCTHJMFYSA-N 431.327 0.509 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)COc2cccc(Cl)c2)C1 1841203254 NSNMLKCRVXZEBL-UHFFFAOYSA-N 428.681 0.916 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nccc3nc[nH]c13)C2 1843416096 YLXUULOOYPLEEX-LGJNPRDNSA-N 434.460 0.909 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846348363 NWQCXIMZTIRIPW-SJORKVTESA-N 428.294 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(=O)c3ccccc3o1)C2 1846383924 IVIOAANGIBUZFO-UHFFFAOYSA-N 426.473 0.983 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1)NC(=O)NCc1ccccc1 1846691638 UYGBQEMIKCIOJW-SFHVURJKSA-N 429.521 0.573 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 10159437 RGWQDRVXRLFGLP-UHFFFAOYSA-N 443.485 0.880 50 20 ICGD O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)C(=O)NC1CC1 17806391 RERFIFQMTGQMAZ-UHFFFAOYSA-N 435.531 0.523 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 727499811 MUKJFDCXUYFTJL-UHFFFAOYSA-N 434.499 0.913 50 20 ICGD Cc1ccn2c(=O)c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc2c1 728329305 VYCMDJYNRSWZRC-MRXNPFEDSA-N 438.396 0.147 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nc1 729620577 ZADMPOZIXQQUSN-CABCVRRESA-N 426.543 0.601 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)nc1 729623182 HAODSRHGGNGFIQ-CABCVRRESA-N 428.559 0.847 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742478532 QTFXMSJZSANJOU-NFBPCRFFSA-N 429.473 0.771 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 743580376 XXOXZQYWBRKAJU-OAGGEKHMSA-N 441.513 0.965 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 745848178 RGEFBIDOJGQRGI-QGZVFWFLSA-N 437.456 0.947 50 20 ICGD CO[C@]1(C)C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 745935518 NEQFMDJMXYEXRL-HNAYVOBHSA-N 440.570 0.847 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 747329471 LXNBHGSRDGZCOM-UHFFFAOYSA-N 436.812 0.965 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1nccn(C)c1=O 747938784 ZIVFBYOTHWXYDY-GFCCVEGCSA-N 429.499 0.463 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc2c1=O 753566149 NSMVXTKKRGCCRN-UHFFFAOYSA-N 447.473 0.524 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 756757399 BBOSIOLKSFNCHU-CYBMUJFWSA-N 439.494 0.947 50 20 ICGD COC(=O)c1ccc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)nc1 759730574 KPIITWBGMFATRX-UHFFFAOYSA-N 436.226 0.217 50 20 ICGD O=C(COC(=O)c1ccc(OCC(F)F)nc1)NNC(=O)[C@H]1COc2ccccc2O1 761514408 YFXBRSJDJUJKBK-CQSZACIVSA-N 437.355 0.870 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 762868704 PIXITKFYAIBFHP-UHFFFAOYSA-N 448.505 0.560 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 763804365 MEDVNAJGSNAJIK-UHFFFAOYSA-N 441.400 0.652 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764165283 VIRVAGJJKGRSAZ-KRWDZBQOSA-N 436.424 0.425 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 764200215 ZBSSLGDFLPAGCS-UHFFFAOYSA-N 440.522 0.538 50 20 ICGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274787 CQZFHTQEZJTYGN-ZDUSSCGKSA-N 429.429 0.909 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)cn1 764358479 GHRNEZVZESWGIK-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD O=C(NCc1noc(C2CC2)n1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 764468711 KZLBGOFIGSFWGV-UHFFFAOYSA-N 434.478 0.876 50 20 ICGD CCCn1c(CCC(=O)NNc2nccnc2OC)nc2cc(S(N)(=O)=O)ccc21 764469267 HYXCFBDDMWNCHY-UHFFFAOYSA-N 433.494 0.968 50 20 ICGD CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 765113331 KHHBPOFEEHBDIJ-UHFFFAOYSA-N 440.400 0.821 50 20 ICGD CC(C)c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730918 PPJJFYUYNINCDK-UHFFFAOYSA-N 426.477 0.337 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 770655648 GNFUDOOZSUCPDL-GFCCVEGCSA-N 437.884 0.271 50 20 ICGD O=C(Cc1ccnc(O)c1Br)NNC(=O)C1CCN(c2ncccn2)CC1 772223837 MOICMEMPSFBYRN-UHFFFAOYSA-N 435.282 0.946 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 773688597 GMSMOFVZEVFGQW-IBGZPJMESA-N 435.440 0.654 50 20 ICGD C[C@@]1(NNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCS(=O)(=O)C1 775226854 WRWMMMKLSRZXPV-CZUORRHYSA-N 445.339 0.935 50 20 ICGD Cn1cc(-c2n[nH]cc2C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cn1 780841397 PMDXCUBZZNRQES-UHFFFAOYSA-N 431.478 0.588 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2csc(NC(=O)C(C)C)n2)n1 782351332 IWOPSWNQQAYBMY-UHFFFAOYSA-N 439.519 0.978 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1csc(-c2ccccn2)n1 784003219 BWLMQMZPCIUSEF-UHFFFAOYSA-N 430.471 0.783 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 784338871 GWAUCDBJKCOKQZ-IAGOWNOFSA-N 435.502 0.292 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NNc2ccc(Br)cc2Cl)n1 784841495 SVJIGEUXVRNEFR-UHFFFAOYSA-N 444.677 0.864 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C 787541465 SGZPWNNUQKPBKS-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2C1 789734564 DBERLPUXFYXVEW-VHSXEESVSA-N 431.540 0.072 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2ccc(C#N)cc2)n1 793030626 HVJZQWVWWJOGTK-HNNXBMFYSA-N 440.460 0.543 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796992981 ZAGZQWSAOUCBMV-MRXNPFEDSA-N 444.375 0.708 50 20 ICGD Cn1nnc2c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccnc21 800795603 PWVYKYDWHXMSIW-UHFFFAOYSA-N 429.462 0.223 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802064029 GQJHBXUJMDBYPA-HNNXBMFYSA-N 446.551 0.837 50 20 ICGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066996 HALZQMQOLGOWDM-VIFPVBQESA-N 425.496 0.745 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 804958040 ZRPZUMPJGJFILM-CQSZACIVSA-N 446.493 0.811 50 20 ICGD NC(=O)c1ccccc1NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 809703640 NTWRXSWMSZAANA-UHFFFAOYSA-N 433.490 0.362 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)C1 809981341 HPADXFKDVRLJDR-QYWGDWMGSA-N 442.557 0.907 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(=O)OC)n2C)c1 814698753 QYVSPRULCLKRBM-UHFFFAOYSA-N 436.490 0.917 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 816509984 JGUDHVYZUSCCJP-OAHLLOKOSA-N 446.570 0.843 50 20 ICGD Cn1nncc1NNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 816769364 DUQPGGZPUOIBOM-AWEZNQCLSA-N 442.505 0.994 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c2ccccc2c1=O 916258436 XGDJLSVYOJGCSY-GOSISDBHSA-N 443.552 0.632 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516993 VBNNHLISMZOHGO-UHFFFAOYSA-N 446.533 0.486 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 917196472 SWMTYZNNRFALJO-QGZVFWFLSA-N 442.497 0.695 50 20 ICGD Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1254281230 TWQBQUSHTSOOCR-GZMMTYOYSA-N 425.433 0.683 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 1318558241 OHVDXTLDLNCKRF-XJNFMUPTSA-N 446.504 0.588 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779408220 CIQSQTYGHPHTPT-JHXRPTDYSA-N 440.460 0.365 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1nn[nH]c1C(F)(F)F 1780194862 XMIZGYPHENGFGA-FEUHOPSXSA-N 439.822 0.551 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3F)C2)C1 1780478844 UVONQRUDMRSHHL-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)c1 1780863698 VGMLLSANLJNBRY-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1780999221 TYQBYDOPCCJREA-KTUMRIBQSA-N 444.536 0.292 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1781572442 RNBGICQZJPBVKA-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782565702 XDNLESPBFPSMCY-OXQOHEQNSA-N 439.944 0.416 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783344942 WVYDDRKBTGMDPU-CZUORRHYSA-N 444.286 0.795 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3F)C2)C1 1783359520 IMJGFNOLWJIXFH-NRFANRHFSA-N 436.484 0.407 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1783881164 PMGRVZJEQIMRPP-ACJLOTCBSA-N 427.841 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1783933069 CALJDAUXWZUEJS-AVRDEDQJSA-N 446.504 0.029 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934205 CDWNXJMLERKZID-NRFANRHFSA-N 435.525 0.752 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cc(Cl)ccn3)C[C@@H]21)[C@H](O)CCl 1784091519 WNHRBAMXTKRBLF-MHEUCROKSA-N 432.304 0.693 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786982776 HOEWZQFWTLQWDR-VMXMFDLUSA-N 440.280 0.671 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cc(=O)nc2cccnn12 1789201473 MEXYRHUMZQOIIS-GVXVVHGQSA-N 440.287 0.487 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(F)c1 1792981925 ZSRXMGFKABVDSQ-CSHUHZATSA-N 428.888 0.956 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1F 1795732650 HGERKRWLGVJDKJ-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cn1 1797032056 GZJWUXBSZPPZMH-MUJYYYPQSA-N 431.493 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ncsc12 1797502380 SSVVOFCUQBYDHA-HBCWATKFSA-N 445.545 0.873 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368725 XWSARBAVFPOPAT-GDBMZVCRSA-N 436.104 0.885 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371213 RDTALNSCMZMCSZ-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375332 SMOABCNBZULGJQ-GHTZIAJQSA-N 437.305 0.386 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807950002 SAOYKHVZXCKGJO-HEHGZKQESA-N 444.883 0.545 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]2c2cccnc2)CN1 1808678748 NEBRIENRDMYDPB-AYRXBEOTSA-N 427.274 0.914 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811458505 DOYJLLQJQXLFKN-UWJYYQICSA-N 446.272 0.495 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cncn1 1813403781 QYKFEPMQBWPORO-WRWLIDTKSA-N 442.524 0.313 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C(=O)c1ccco1 1815754819 IEYQKPQJCFZVMR-MRXNPFEDSA-N 436.233 0.871 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817474991 JDOMNUHHEQQSPX-LJQANCHMSA-N 439.325 0.881 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc[nH]1)CC2 1819794862 FSKMTRWCCXOBOZ-VIFPVBQESA-N 426.462 0.404 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)c1cccc(B(O)O)c1 1820328930 AKAXBFJVYBMFPB-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821971579 QCONJFVUYGNMSB-BDJLRTHQSA-N 442.480 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2 1826089782 ODGAMYTZVSSHHZ-IHRRRGAJSA-N 437.566 0.979 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)CC1 1826219830 HGFXVGBZKWSYTP-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1830533310 JZZJQTXOBYGVNE-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731332 KQBYLNCJALSXFT-OXQOHEQNSA-N 434.880 0.300 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831880625 BKHXOHJEMGNWPT-OXJNMPFZSA-N 425.913 0.863 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832680999 MNCLLNVJNTWDHD-KDOFPFPSSA-N 442.310 0.700 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832855636 QLSHNLNGJYYQGL-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1832897659 XCGADXFUOOFVRE-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310298 GEGFBNWNFOLGFU-RBUKOAKNSA-N 437.972 0.123 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cn1 1833435725 CDGRHKCZBNPLDS-IFXJQAMLSA-N 442.900 0.199 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n[nH]1 1833821701 IZGNXGRQOBESKH-QGZVFWFLSA-N 443.298 0.467 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835008673 SDACFJDNFCHDQV-LPHOPBHVSA-N 431.316 0.939 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1[nH]nc2ncccc12 1835020216 PVXJJJILPWWFCH-INIZCTEOSA-N 434.928 0.743 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835184782 PKZIOIHEFYAAKS-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835248434 ODJSZZZOYGPFEB-YOEHRIQHSA-N 437.331 0.279 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835867038 HKAWJHZKUOHQKE-AWEZNQCLSA-N 428.877 0.103 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 1836195214 LQNZONNZQXVBHO-HNNXBMFYSA-N 427.889 0.708 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836397262 WSOUJKMQHWZEJN-XLIONFOSSA-N 430.977 0.226 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720549 WOWDIEHZSJKZHR-ZWKOTPCHSA-N 431.961 0.890 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369445 OALPNXVPLHTKNH-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200769 MOTLOCJEBDXZEM-XJKSGUPXSA-N 436.253 0.925 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1ccnn1 1839710213 GTHDAXSFYOEBCT-KBRIMQKVSA-N 434.324 0.532 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840153559 SLTRLBPRNIBSCK-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1840525911 WEWZDGJADKLMGU-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845215797 FRIPIRFKRVKWSD-GHMZBOCLSA-N 438.294 0.766 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CC1 1846965390 ZRMUZZZBZDVBCN-HNNXBMFYSA-N 444.960 0.342 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 14371456 IDDQSOXYQPCYLH-CQSZACIVSA-N 447.467 0.602 50 20 ICGD Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 725739614 KGDJSNKUWGPYMA-UHFFFAOYSA-N 440.485 0.712 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1OCC(=O)O 726155401 IQDFJTWFSVJOCP-OAHLLOKOSA-N 436.442 0.916 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNC(=S)Nc2cccc(Br)c2)c1 726631187 QBMJIDAXFZQTGE-UHFFFAOYSA-N 433.313 0.311 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cc2c(s1)CCC2 726710628 JVWAZRUGLJRVPS-UHFFFAOYSA-N 443.533 0.710 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2cscn2)CC1)C1CCN(c2ncccn2)CC1 728958832 FVLXKIFUNGXTPD-UHFFFAOYSA-N 430.538 0.708 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)COc2ccccc2O)c1 731441238 RRHUSUDXNUAHFP-UHFFFAOYSA-N 436.446 0.562 50 20 ICGD Cc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] 735117326 QYXCXAUEKPDISD-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nnn1C 741661344 VVBRYNBBMSWWPS-UHFFFAOYSA-N 428.474 0.677 50 20 ICGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cccc(Br)c1 742772095 PWEACTMOYQZRQJ-UHFFFAOYSA-N 437.275 0.949 50 20 ICGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)CS2 744620774 NIJVOMSZRBUYBS-RDTXWAMCSA-N 440.547 0.605 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)N[C@H]1CCN(CCN2CCOCC2)C1 745826383 AAMSBGQWNZWJTG-INIZCTEOSA-N 440.342 0.800 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)nc3)CC2=O)c1 746129744 YPUUXWGWJVVGEB-NSHDSACASA-N 437.865 0.197 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 746755604 GMCCYLGGCHJPMN-UHFFFAOYSA-N 436.472 0.880 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nc1 753280188 QQECUNKDQYMKID-UHFFFAOYSA-N 428.405 0.999 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1OC 755246606 BYTNWZBGZGNMPQ-UHFFFAOYSA-N 443.372 0.890 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(Br)cc2)cn1 755426556 YMAZOQDZAWFCCQ-JTQLQIEISA-N 427.280 0.831 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 756125495 VZWWLKOIXSVTGY-LBPRGKRZSA-N 443.501 0.174 50 20 ICGD CC[C@H](C)Oc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756212966 JPJMSFAZHIAWIA-LBPRGKRZSA-N 443.464 0.464 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757802694 AOIXIHIDIOHGBU-TZMCWYRMSA-N 446.551 0.492 50 20 ICGD O=C(NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(F)cc1 758528000 NUNTVCJDEXFWTO-UHFFFAOYSA-N 436.303 0.772 50 20 ICGD O=C(c1ccnc(N2CCCCC2)n1)N1CCN(S(=O)(=O)CBr)CC1 758528657 WWROWMMGOFMABL-UHFFFAOYSA-N 432.344 0.907 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2nccc(N3CCOCC3)n2)c1 762849358 ZQTOXARYMYZKRD-UHFFFAOYSA-N 448.505 0.328 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763159249 SWBOPRWYNCMFTJ-BWQWDADSSA-N 429.458 0.450 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCc3c(F)cccc32)c1 763718821 NOIPIJJWSPBTGW-UHFFFAOYSA-N 434.449 0.426 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)COC3)cc1 763738657 WJGGPQHJQDSEQH-UHFFFAOYSA-N 446.485 0.432 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763814504 VRPUGEBHMCXIBG-UHFFFAOYSA-N 441.419 0.699 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)n1 763892763 KHHYWLDRFGCZCW-UHFFFAOYSA-N 433.432 0.415 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc(OC)c1Br 764108450 IDBWTZALKSAIKP-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1C 764167806 MLWINKQUBDEINA-MRXNPFEDSA-N 432.458 0.040 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 764230775 KWZUTPJZJSMHDC-LBPRGKRZSA-N 426.495 0.422 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)ccc2Br)n1 764231109 MOAIPXPHFCTWRP-UHFFFAOYSA-N 440.254 0.700 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764354843 YFWQSPUXVYHZNL-UHFFFAOYSA-N 433.490 0.489 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)o1 764367762 LWIJRCMWWLRVQH-UHFFFAOYSA-N 429.477 0.614 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 764552307 LQYDHEKNLJLYHL-QWHCGFSZSA-N 434.449 0.979 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(F)c1 765118620 NUTBZEOUNINDSV-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD COCCCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637158 ZAUGZPQSPKGDBP-UHFFFAOYSA-N 426.539 0.265 50 20 ICGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nc1I 770264609 IMMQYTIKZFKRKS-VIFPVBQESA-N 439.275 0.801 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 771933697 XYMKPGCLKZQOTM-GFCCVEGCSA-N 443.478 0.005 50 20 ICGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 777940488 NIABXHYNWAKWDZ-OAHLLOKOSA-N 429.974 0.665 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)n(C)c1 778734394 RLLWVOQEDLCTLD-UHFFFAOYSA-N 436.498 0.633 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 779676467 YWUHNCNQCVDFDK-UHFFFAOYSA-N 446.895 0.495 50 20 ICGD COC(=O)c1ccccc1NNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 780739263 YJOLXTPHNNYNQS-UHFFFAOYSA-N 426.433 0.921 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCS(=O)(=O)C1 783425832 DZVYLWOCJNONMX-KRWDZBQOSA-N 428.417 0.973 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 784004001 GILLDOFOLAWEOF-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 784338878 GWAUCDBJKCOKQZ-IRXDYDNUSA-N 435.502 0.292 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785405960 JZTZAPCJPLYYSN-CYBMUJFWSA-N 441.506 0.916 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 786723418 OVVKCXBOHRYEIN-SNVBAGLBSA-N 439.943 0.766 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 792762784 MJQSRYMOGFZPGT-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794066403 ZJDWUAICBCOBEN-UHFFFAOYSA-N 440.460 0.495 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)c1 796989287 DQQAQTUQRJMVFV-ZDUSSCGKSA-N 446.435 0.812 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)NCC(F)(F)F)CC2)c1 798315560 XIPNDUMRRGHQEU-UHFFFAOYSA-N 437.444 0.340 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C 800747640 NGOPOEPSMUFGDK-ZFWWWQNUSA-N 425.511 0.290 50 20 ICGD CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 805406566 URZGJEJDZGCSKS-HNNXBMFYSA-N 441.510 0.057 50 20 ICGD COCc1cnc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)s1 806972504 BRVVXQSJOZJYMQ-UHFFFAOYSA-N 446.533 0.588 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1F 806973049 XHTXACFDXKLUAC-UHFFFAOYSA-N 433.421 0.615 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806975723 MFPBRMSTXOEBFY-JKSUJKDBSA-N 436.468 0.792 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nc2ccccc2n1C(F)F 812456878 XAWQEBNRIXKFJF-UHFFFAOYSA-N 437.432 0.856 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2cc3ccccc3n(C)c2=O)c2ccccc2c1=O 813836464 LAQWNEJTHNSWIZ-UHFFFAOYSA-N 432.440 0.930 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccnc2N2CCOCC2)ccc1Cl 836839999 MDQBJPIQZNDJEC-UHFFFAOYSA-N 439.881 0.294 50 20 ICGD C[C@@]1(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)Cc2ccccc2C(=O)O1 892678328 DITUAJOGWNEFKJ-SFHVURJKSA-N 437.861 0.920 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H](C)SC)N(S(C)(=O)=O)CC2 915292447 OONNWIQPFBQURG-RISCZKNCSA-N 445.563 0.852 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(CN2C(=O)CNC2=O)cc1 920934133 DKMLYRILGQEPOS-UHFFFAOYSA-N 425.401 0.976 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1[C@H]1CCS(=O)(=O)C1 1317718435 NUUWXKKQIGCODC-NSHDSACASA-N 443.938 0.924 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1320069675 BLTXVIWTUHWWON-SJKOYZFVSA-N 433.433 0.968 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H](F)Cl 1778028584 YSLMWQKHEUBJIE-CKUKBARFSA-N 437.946 0.895 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778941069 LXLOJKFXLIPOBY-MYHKYFONSA-N 443.410 0.578 50 20 ICGD Cc1cccc(F)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034668 SDBXNGWPVRSGNI-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1ccn(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780226513 OQAIKEDHSHASPD-AUSIDOKSSA-N 439.321 0.455 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090289 ONNJSFGAOWNDBU-JTDSTZFVSA-N 445.402 0.483 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230900 AKVQPHHEYVHEBZ-ZYSHUDEJSA-N 435.396 0.689 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783409295 HSCJFCBBTMKQKH-RDPSFJRHSA-N 442.560 0.994 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)CC1 1783947582 FDPKMMMRYDHHMH-INIZCTEOSA-N 442.365 0.292 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784106049 MAJZHOBDZSRJRG-NTKDMRAZSA-N 449.511 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccoc3)C2)C1 1784680349 ZBBJXYACEXTUET-OAQYLSRUSA-N 427.461 0.354 50 20 ICGD NC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1 1784930964 PPFQICUGAIJZMQ-DYVFJYSZSA-N 428.258 0.920 50 20 ICGD O=C(CN1CCc2sccc2C1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785097872 DAPCTTZVAIIZPS-NXOAAHMSSA-N 441.981 0.686 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785588753 FJECSGGDMVOSFL-MNXVOIDGSA-N 429.315 0.750 50 20 ICGD O=C1COc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)cc2N1 1788360712 HYVFQRNLKFIXCU-LBEHMCEESA-N 437.880 0.211 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791768135 JBWAYCSRUYPKCI-RFGFWPKPSA-N 439.372 0.432 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793649431 HUPQLMSHCLPGJN-LKQDWFRTSA-N 446.416 0.880 50 20 ICGD Cc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793920288 APMWFPNHYFAEQS-OPMZPASUSA-N 431.537 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1noc(C)n1 1794330698 HDSFGORXFKFDGU-LSOZKBPJSA-N 427.465 0.693 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1795115939 WUNICDHIACUIQC-JJLQDPRZSA-N 425.283 0.395 50 20 ICGD O=C1CCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)nc2N1 1796566933 YUZBUAMSDKZVTD-BCDXTJNWSA-N 448.288 0.212 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1Cl 1798062393 NNIKZOFOAZAIPV-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1800979208 WMEMXMITJXOQGQ-VZAMPYOESA-N 436.896 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1F 1801977950 SXSCFULNUXJPHQ-USGNIVHTSA-N 438.475 0.470 50 20 ICGD CCOC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](Cl)COC)C3)CC1 1801990614 YCTRJIUIGOQROX-YYIAUSFCSA-N 445.944 0.698 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803234787 JBVSTXZOKWBBMF-LZQZEXGQSA-N 440.504 0.417 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353282 ITJYXTCVASUBEK-CQDKDKBSSA-N 433.831 0.667 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363093 APHJTFHCXCIFFD-PBEJRMEISA-N 437.305 0.672 50 20 ICGD CCn1ccc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813071184 PQRAVWUGXRAQFZ-DYESRHJHSA-N 441.536 0.991 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1814094532 FUYWXNKPHLTAKZ-QRXLRCHTSA-N 437.261 0.112 50 20 ICGD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815695157 LSZIBYNYQKLRRV-INIZCTEOSA-N 436.302 0.686 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817264119 HGBRBMDUPFXBGY-IXDGSTSKSA-N 427.314 0.769 50 20 ICGD CO/C=C(\C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797828 LTBHEQONGJHOEZ-USKTWTLRSA-N 430.490 0.918 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)[nH]n1 1822415087 AUFZPMPVHTXZLP-GJZGRUSLSA-N 433.513 0.396 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824657866 CHGGFBMXIZBQIF-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)c1ccco1)CC2 1826081064 NXZDOBYYAUVISC-APPDUMDISA-N 435.506 0.755 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827052950 QBVSMVBKXRTGFW-IBGZPJMESA-N 440.309 0.534 50 20 ICGD Cc1ccc(OCCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719232 AWJPABPDTVCXNA-RXVVDRJESA-N 440.924 0.820 50 20 ICGD CSc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731989 OKIOXKTXDJGQIA-KDOFPFPSSA-N 429.926 0.473 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)CC1)[C@@H](O)CCl 1833312782 DLJILCSOLUMGPK-KUHUBIRLSA-N 437.972 0.686 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1C 1833694865 DHPAFGMISJMWQV-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1835085492 JHWULTXGKILGCM-HSZRJFAPSA-N 446.548 0.367 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835930964 BCDUQUJIBNNJKR-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444330 YKEZKIFQESDEPY-DZSVRRGNSA-N 440.617 0.766 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839963249 FUUQJBOJKDCSDW-CXAGYDPISA-N 427.299 0.720 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840154232 QDIIWUAMUNQDSA-KXBFYZLASA-N 437.884 0.053 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1840186055 XWWGYEZYKNPEGP-NRFANRHFSA-N 436.509 0.042 50 20 ICGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1)OCC 1840282435 PYDCUVFNDBAGPX-KXBFYZLASA-N 436.933 0.486 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084040 KHFINQOOJSLYRZ-UHFFFAOYSA-N 429.393 0.024 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847406131 JIZADHLHYSBADH-PMACEKPBSA-N 426.253 0.790 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 16594127 ITJXTISINQFHRK-UHFFFAOYSA-N 449.445 0.036 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 17523637 KWKLLUCJDRZGBO-UHFFFAOYSA-N 449.533 0.757 50 20 ICGD CCCCO[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 109175653 HUIOSCBDNFPYRZ-MRXNPFEDSA-N 441.550 0.993 50 20 ICGD CCN(CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 726713900 NEXOTQIXXUBTLC-UHFFFAOYSA-N 441.554 0.382 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1 729298482 IOWLIAZNZKAPET-ZDUSSCGKSA-N 446.485 0.796 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)NCC(F)(F)F)n(C)c2)C1 730292267 ZOPJHACUVQADAQ-JTQLQIEISA-N 425.433 0.952 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 731493619 IKBBPGBTLCSESJ-LJQANCHMSA-N 448.457 0.382 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 731865710 SGHNCKHWAQEIFW-NSHDSACASA-N 443.298 0.396 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O)c1 733662817 PNEJQJYIGCFVSG-LBPRGKRZSA-N 434.540 0.094 50 20 ICGD O=C(NNC(=O)c1cc(I)c[nH]1)c1csc(N2CCOCC2)n1 734419547 UCTWEAJIFYSJPJ-UHFFFAOYSA-N 447.258 0.987 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c2ccccc2c1=O 741093179 NXNLHAYFTDNWIS-STQMWFEESA-N 435.506 0.716 50 20 ICGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1 742025372 DTOCXYUQKUNDJL-UHFFFAOYSA-N 426.256 0.591 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1csc(N2CCOCC2)n1 742037277 VYHBQARQVVHAQY-OAHLLOKOSA-N 444.517 0.688 50 20 ICGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cn1 743256219 SSRQCJKLJFNFKZ-UHFFFAOYSA-N 435.487 0.682 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 744564861 QZMIPDUQZVDUCK-UHFFFAOYSA-N 431.408 0.781 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)Cc1cn2ccccc2n1 746549665 FLMMBGHAVFWIMC-UHFFFAOYSA-N 434.460 0.415 50 20 ICGD CCN(CC)CCO[C@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 747490929 DBEIDYSJJRMQDW-HNNXBMFYSA-N 440.570 0.767 50 20 ICGD CCc1c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)[nH]c(C)c1C(N)=O 748619864 MQUDJQXYWSKNOH-UHFFFAOYSA-N 448.549 0.677 50 20 ICGD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 750669878 GHLKPQFWENHEAU-WTCZBGTRSA-N 444.579 0.961 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2cc(Cl)nc(N)n2)cc1 753457132 INKCHEQIUQWTPH-UHFFFAOYSA-N 427.874 0.434 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1)OCO2 753840121 PGYLCWOPTGWXLY-UHFFFAOYSA-N 445.384 0.619 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@@H](C)O)cc1 754554112 UUYTTYDFLJSLTQ-ACJLOTCBSA-N 430.486 0.965 50 20 ICGD O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758839198 BRBNJNNPDALPEF-UHFFFAOYSA-N 440.460 0.122 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc2cccnc12 763031650 VGDQMKPXESSUTN-LBPRGKRZSA-N 441.469 0.462 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc2ncccc12 763044577 YNBNYSJIVTYNIS-LBPRGKRZSA-N 441.469 0.462 50 20 ICGD O=C(CNC(=O)c1cccnc1)NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O 763198684 IMRSTYXYGYNUBF-UHFFFAOYSA-N 433.472 0.960 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763932971 WJUHDKVFXJMGGU-UHFFFAOYSA-N 427.392 0.206 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002428 MHUXETLTQYKYJA-CYBMUJFWSA-N 439.490 0.091 50 20 ICGD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002655 PCMVZZQRKOCMFT-VIFPVBQESA-N 437.396 0.625 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)cn1 764085415 KHTMNBYIWSTEHJ-UHFFFAOYSA-N 425.218 0.844 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)c1O 764133961 ZJJSFGVYKUQITL-UHFFFAOYSA-N 443.445 0.498 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2)C[C@@H](C)O1 764144463 WZGMASQVDXSXRC-CHWSQXEVSA-N 438.506 0.371 50 20 ICGD Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764343691 QNIKEKPKBMXYGV-UHFFFAOYSA-N 425.474 0.515 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)sc(C)c1C 764434506 XGCXZEHQGGMNQL-UHFFFAOYSA-N 433.446 0.905 50 20 ICGD O=C(NCCOCC(F)(F)C(F)F)NNC(=O)c1csc(N2CCOCC2)n1 764756484 GFPKQKGQGBLOEP-UHFFFAOYSA-N 429.396 0.841 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 767344248 LNVLWWRMLZVQMZ-SFHVURJKSA-N 437.452 0.747 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 771306331 ZONYVXUSFSEYLO-UHFFFAOYSA-N 425.492 0.187 50 20 ICGD COc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc(NS(C)(=O)=O)c1OC 772162556 USYZBVUVWCPMEA-LLVKDONJSA-N 445.494 0.814 50 20 ICGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196988 UGFDHHXCFZTDFY-UHFFFAOYSA-N 428.836 0.299 50 20 ICGD O=C1C[C@@H](Cc2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)C(=O)N1 772885233 XIGZYHRGZZJMRE-OAHLLOKOSA-N 442.859 0.623 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)nc1 773636279 BWUFMKDIHQUYAL-UHFFFAOYSA-N 449.415 0.602 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775459848 GZKGOMANVJDNMW-BBRMVZONSA-N 444.492 0.557 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cn(Cc3cccnc3)nn2)cc1 783803779 GCLSCBBAHXMMAS-UHFFFAOYSA-N 427.490 0.801 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cccc1N1CCNC1=O 787544517 SCDMSYJTLVJURZ-UHFFFAOYSA-N 429.408 0.829 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N1CCN(C)CC1 788165851 HMSCMJBJLCONBC-AWEZNQCLSA-N 447.558 0.214 50 20 ICGD CCOC1CC(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 788863693 NLNHQBXKFVFQTL-UHFFFAOYSA-N 440.570 0.849 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnc(OCC3CC3)cn2)ccc1Cl 791003458 MWWRKTZKNROCSQ-UHFFFAOYSA-N 425.854 0.641 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(Br)ccc1Br 792317358 TZRIPZGFUBMNEG-YFKPBYRVSA-N 444.105 0.305 50 20 ICGD CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 797401135 BWHABXIFOMOHML-UHFFFAOYSA-N 440.279 0.970 50 20 ICGD C[S@@](=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 797921654 LMANNSHMBCBJRO-BJLXPSRBSA-N 432.454 0.497 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 801112260 ZINYABZNTHNUPY-UHFFFAOYSA-N 444.513 0.625 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cccc(Cl)c1 802203691 XJSRNWYZHYNRDP-UHFFFAOYSA-N 433.804 0.803 50 20 ICGD O=C(COC(=O)CCc1nc(-c2ccco2)no1)NNC(=O)[C@@H]1COc2ccccc2O1 913391772 AODCMTLWXCINTI-HNNXBMFYSA-N 442.384 0.793 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1OC 913465110 HDEWMZRWSOHTLJ-UHFFFAOYSA-N 425.449 0.819 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc2c1=O 916123169 OKVVWRAYMWEVBC-CQSZACIVSA-N 426.477 0.622 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 1318231042 LEPILANHKJHEPY-UHFFFAOYSA-N 425.453 0.004 50 20 ICGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 1319260914 MZAFKTYZBWFTIE-UHFFFAOYSA-N 429.498 0.762 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1320952628 RFKBFXBVXONEEL-UHFFFAOYSA-N 426.477 0.773 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1341797589 WKAXTZDHEFLJCS-ACJLOTCBSA-N 427.479 0.141 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1779029171 TXRVOVZTTSDOPT-QFIPXVFZSA-N 438.488 0.156 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032148 CIZGGXNXZDXWMO-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1781904131 JHHYLFDSOUHHSO-UMPJEAMMSA-N 443.346 0.922 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1782170991 MIADNTUUGXQEAJ-BXTJHSDWSA-N 438.912 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1782178273 KBPBBMYDKNMMPF-SPYBWZPUSA-N 426.901 0.623 50 20 ICGD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cn1 1784086770 ZYPYTTRWIOMZSW-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784389627 IZSDWIGRXNKLBH-GMHRPJKWSA-N 438.908 0.796 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)ncn1 1785645165 KGFIFWPPFXGUOU-WTTBSCSTSA-N 445.245 0.459 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788531221 ISGRFOCAUKRCGH-AVGNSLFASA-N 440.491 0.923 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1792871317 UQHLFYHRHUDPFT-DYNIEEOBSA-N 441.282 0.409 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1792871380 XEJTWTHWNJYATH-NFFDBFGFSA-N 441.326 0.900 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1ccc(-n2c(O)nnc2O)cc1 1793113422 IOFZUHKUIJVNMW-FAAHXZRKSA-N 435.868 0.530 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccc(B(O)O)cc1 1793493381 LLQUGEFEDQFGCO-XAPVIXHLSA-N 447.300 0.811 50 20 ICGD CC(C)(C)OC(=O)NCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793635751 BPOBAQNXDCMLQM-IVSAIRAKSA-N 447.960 0.871 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787271 FLGVBDJEBKREHO-NWJSVONSSA-N 429.315 0.358 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955298 YUSWJYIENIKEQO-FVCCEPFGSA-N 437.298 0.359 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nc2nccn12 1798442817 HNCPKNNQIUBKEQ-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522452 YKPUZSVUCLOQIN-CSHUHZATSA-N 448.476 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNc3ccccc31)C2 1801012916 FACOQDNCESDTNR-KJOVKWNASA-N 429.521 0.158 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1O)C2 1801012917 NBQIPNCEDQUNPW-VTEUUUEMSA-N 444.488 0.715 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804182290 AYWLTHFDWYEERU-WMLDXEAASA-N 435.912 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncccn2)[C@H]1c1cccnc1 1805781006 SKQYLMQPLFVOED-CRAIPNDOSA-N 446.471 0.504 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807361538 RHYMSQAXPDWYFM-DYESRHJHSA-N 448.288 0.945 50 20 ICGD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808653315 KWPXVLJATYPMMC-MAUKXSAKSA-N 445.549 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809606701 VAEDKKSNQUEYSU-CMKODMSKSA-N 437.972 0.589 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977984 PSVZOYLHYAHPNT-HXUWFJFHSA-N 427.354 0.696 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813067787 DLVKACKWRHXKFH-XLIONFOSSA-N 431.537 0.887 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnc1 1815350259 MXLGCRAVVLNMIU-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD Cc1cnn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815354870 WBNXBWWBHNSRSX-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815690943 CWKLKDHBXVICTC-BDAKNGLRSA-N 428.316 0.915 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cnc[nH]3)sc2C1 1817047756 UTDSIBCSEYDPGM-JTQLQIEISA-N 440.489 0.333 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](F)Cl)sc3C2)c(=O)nc1O 1817132444 NINRDDCTOWRKNL-PELKAZGASA-N 429.861 0.860 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820783358 RYTYCGJOAVESOL-BMFZPTHFSA-N 426.949 0.637 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825928544 OZOADNNYSFXHAQ-NHYWBVRUSA-N 429.307 0.664 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826099932 WMZNFYAVRVUXCH-PWCHPLFNSA-N 425.294 0.923 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n(C)n1 1830359098 UYXJVMOOIJJXLJ-IBGZPJMESA-N 428.917 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831830314 OWTHXDBRDCFRRT-RTBURBONSA-N 436.745 0.854 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870834 GNYDEKQDXBSDRD-IRXDYDNUSA-N 438.573 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCCC2=O)CC1 1831870952 JCSOWCOXNYPLIT-GOSISDBHSA-N 435.569 0.602 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1833532394 MXKMMYLKYHJDIV-SJORKVTESA-N 429.993 0.558 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1=O 1834818688 BWVZWTPRJKZPIK-GOSISDBHSA-N 442.310 0.240 50 20 ICGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)C(=O)OC(C)(C)C 1835210531 FAGUTWRFVMEUML-RDTXWAMCSA-N 437.896 0.844 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cccc1=O 1839198327 YAKYEXZCYBKLFS-YOEHRIQHSA-N 446.273 0.146 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839534163 ZJCLIRQIDUJETL-DNVCBOLYSA-N 426.901 0.153 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1839964341 OYJITKOIBMFHPF-CXAGYDPISA-N 429.315 0.962 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840030795 WWCYKBDBETTWRO-LEWSCRJBSA-N 447.248 0.540 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nc1 1840032709 HWUQTSRSXXSNME-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1840154464 XHCNQSTYAYSNMO-WIYYLYMNSA-N 448.907 0.954 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)C1 1840186359 GJNCXKCEIIMFKY-VFVRVIDISA-N 437.320 0.836 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897332 WRUDLMWHTWUHDS-SJKOYZFVSA-N 449.982 0.321 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@H]2COc3ccccc3O2)C1 1841548346 UYMBHOMBWRJWBE-SFHVURJKSA-N 436.273 0.414 50 20 ICGD Cn1nncc1C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924256 PCSNQKWKBAPCEQ-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD Cn1c(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc2ccccc21 1847461149 ULRUGXMHFWCIIL-VXKWHMMOSA-N 431.301 0.916 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CBr 1847499559 GFQSVXBTOBCGHM-FWYOQMDTSA-N 440.342 0.690 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](C)CBr)c(=O)nc1O 1847502265 NQNLHORMMYTOLM-DRZSPHRISA-N 427.299 0.490 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 15475616 AGOLVDCOWFIHKF-UHFFFAOYSA-N 446.485 0.984 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 725878233 MMJVVIVWIYXOTG-UHFFFAOYSA-N 437.522 0.665 50 20 ICGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 725907871 RCHSJWDKPSZQIG-KRWDZBQOSA-N 445.501 0.469 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 728180461 UTPOIGBFIBZWQU-INIZCTEOSA-N 425.532 0.610 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC 728915565 RQKRUOANXQJDDK-OAHLLOKOSA-N 428.493 0.882 50 20 ICGD CCCNC(=O)CCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 729534465 QVRVDVCKKYTCNF-UHFFFAOYSA-N 425.555 0.762 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2scnc2C)cc1[C@]1(C)NC(=O)NC1=O 729667973 YOWXAQTYGAVOPV-INIZCTEOSA-N 439.475 0.138 50 20 ICGD O=C(NCCCN(C(=O)C1CCC1)C1CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 731358477 VVFZCRQOZBGIQX-UHFFFAOYSA-N 426.481 0.788 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)c2ccccc2c1=O 731890433 AUDBRBFBOSPMEH-UHFFFAOYSA-N 443.485 0.837 50 20 ICGD CCc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n[nH]1 739018581 CJWOGVUXNAIJQF-UHFFFAOYSA-N 436.494 0.137 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C#N)cc1F 739670625 LQLZCBMPTQSYCG-UHFFFAOYSA-N 425.467 0.922 50 20 ICGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 740738637 LWYSDEIEBWTOOW-VPTFNQTCSA-N 432.454 0.943 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 740851594 NDCBZSHYWIQRCU-SFHVURJKSA-N 425.489 0.875 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)n1nnc(-c2ccccc2)n1 742478882 WHQYXURSBMFIMH-JTQLQIEISA-N 449.880 0.663 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(F)c1)N[C@H]1CCS(=O)(=O)C1 743254680 SCMXYQALPDUTBF-ZETCQYMHSA-N 430.277 0.268 50 20 ICGD CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cccc(Br)c2)CC1 743686828 MWJYGWSREBROEX-UHFFFAOYSA-N 434.316 0.228 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 744384185 HXEOBOFYPRGEFU-UHFFFAOYSA-N 440.529 0.643 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 744642292 IWYZHOGTOZELCE-JTQLQIEISA-N 440.172 0.969 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 745684725 OXNSSZZWJMTETB-LBPRGKRZSA-N 429.462 0.599 50 20 ICGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 746184928 IQGKASPOAOLNNJ-INIZCTEOSA-N 434.456 0.858 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 747906216 DTOOOYMKBBQADA-UHFFFAOYSA-N 440.547 0.844 50 20 ICGD CNS(=O)(=O)[C@H]1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1 750515839 JERKZYWZUNKWME-AWEZNQCLSA-N 431.518 0.807 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 750666578 OGVZLBNJRAVXAO-LFIBNONCSA-N 429.454 0.849 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)N2CCSCC2)c1 750828072 KZALVEMTGZOQNG-AWEZNQCLSA-N 428.580 0.915 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc(OC)cc1OC)OCO2 753839760 DIEZDQNPOYNDIY-UHFFFAOYSA-N 445.384 0.619 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N)OCO2 753841987 WLIGZBBFKILPOC-UHFFFAOYSA-N 440.368 0.238 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1(O)CCCCC1 754973973 JBICCMVGFYZRET-UHFFFAOYSA-N 439.534 0.483 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2ccn(CC(=O)N(C)C)n2)n[nH]1 756310800 JMDGPLAXOKWKSX-UHFFFAOYSA-N 426.437 0.837 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C[C@@H](C)O1 757407427 JIHKEOZIMQGQJG-TXEJJXNPSA-N 434.478 0.130 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccc3c2oc(=O)n3C)cc1 757758103 QAXOWVSQSYRUQE-UHFFFAOYSA-N 447.473 0.913 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccc(C#N)cc1 757872146 SQWGYPOGBBWCQX-HNNXBMFYSA-N 446.489 0.963 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)[C@H](C)OC)c(=O)n2Cc1ccccc1 763140535 RIJMXJCLUPBFSY-HNNXBMFYSA-N 426.477 0.955 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763467108 OULSVOCVGFJITE-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD CN(C)CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763571299 HNVBOAFYZBQDPQ-LJQANCHMSA-N 442.472 0.943 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763657537 OPUZILGBCSPFHM-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763731923 BWRIONIJAHHFCC-UHFFFAOYSA-N 428.470 0.383 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 763774854 HSQNWOORPNKYOA-UHFFFAOYSA-N 427.417 0.847 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763811998 AJAYMQSICIWTNT-UHFFFAOYSA-N 436.428 0.248 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)cc1 763831690 RGXAXUWFRDUPBT-UHFFFAOYSA-N 448.501 0.573 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 763888469 MMWLDOXBZIYMTL-UHFFFAOYSA-N 439.538 0.145 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ccccc23)c1 764049081 SCFDWMKXCXVRKT-UHFFFAOYSA-N 433.424 0.455 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 764229880 CYEJAIDASGAKFS-ZCFIWIBFSA-N 444.869 0.678 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764297180 MMFYMKOOFOWHGC-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)cc2)C(=O)N1 764348984 FRLVYKWRNJOAHC-LBPRGKRZSA-N 444.831 0.651 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1N1CCCCC1=O 764353476 HUYWZIDAGRBIRS-UHFFFAOYSA-N 425.445 0.936 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 764367962 PSIOMKKLPYEMOT-UHFFFAOYSA-N 436.446 0.437 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1NC(=O)C1CCCCC1 764424314 IEPDPKQKDDRKSB-KRWDZBQOSA-N 448.476 0.715 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=S)NCCCN3CCOCC3)n[nH]2)cc1OC 764499541 CBDMIGRIFUQZKZ-UHFFFAOYSA-N 448.549 0.925 50 20 ICGD Cc1cc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 765727020 IMOGWFJZNJFCOW-LLVKDONJSA-N 448.867 0.010 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCS2(=O)=O)c1 767175101 WNMFUJHTGFXWSK-OAHLLOKOSA-N 446.551 0.238 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1C 768264284 YCLLPPQBQMDPTJ-UHFFFAOYSA-N 431.478 0.167 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1 769151886 CSPJIHASMNGNKV-SJORKVTESA-N 440.570 0.772 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 771867807 LAJNRCWMLKGWBJ-VHSXEESVSA-N 439.412 0.861 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 772035452 GHHVRDWOPCPLNB-LBPRGKRZSA-N 439.490 0.978 50 20 ICGD Cc1ccccc1[C@@H](CC(=O)N1CCN(S(=O)(=O)CBr)CC1)NC(N)=O 777839067 YSVPPOUVACEGBH-CQSZACIVSA-N 447.355 0.921 50 20 ICGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1cccc(S(=O)(=O)N2CCCC2)c1 780850187 WWUQUJIOIKGBCV-UHFFFAOYSA-N 430.446 0.294 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 784002382 OFZWCFJJGFDHSR-ZDUSSCGKSA-N 448.407 0.492 50 20 ICGD O=C(NNc1ccc(Cl)nc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784871654 STHCBBAXUPNQBW-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cccc1N1CCNC1=O 787545847 WBSCXHSRHLDBGX-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD CCOC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C 788872712 QVQIYOQNFPOIPP-INIZCTEOSA-N 428.559 0.705 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1F 792451248 MNQBAFBIWCWOPG-UHFFFAOYSA-N 439.377 0.755 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 793225737 HLCNGTXUPAVJHG-UHFFFAOYSA-N 429.433 0.526 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794721887 RNUCSWSOPFWSFA-CQSZACIVSA-N 438.597 0.441 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1OC 797093660 RWSIGYFKQBWKPX-UHFFFAOYSA-N 425.401 0.458 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)c1ccc3c(c1)OCCO3)OCC(=O)N2 797428784 GSUPALTWGGYTMT-UHFFFAOYSA-N 435.414 0.421 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(OC(F)F)cc1F 802566295 HZBLYMRFIPBECK-UHFFFAOYSA-N 435.322 0.803 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 804988382 BPLFVAHVVKBYEI-UHFFFAOYSA-N 436.414 0.777 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 806979504 XPGUXSRLDQFGEB-CQSZACIVSA-N 448.451 0.482 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)n1 807547301 AMBOLJVZVCEALB-UHFFFAOYSA-N 442.929 0.771 50 20 ICGD Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)C2 810341028 BIGBVNVVSMKMKL-MRXNPFEDSA-N 432.550 0.833 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815750728 JECIAAYDLYUHCT-UHFFFAOYSA-N 433.490 0.655 50 20 ICGD Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)C2 916318660 VLXIGHJTJSGKCP-AWEZNQCLSA-N 431.522 0.888 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3Cc4ccccc4O3)nc2)CC1 916516438 ZQKYDMKXZYWRHH-MRXNPFEDSA-N 446.533 0.648 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 917716847 FHKZPPKNHLHZQJ-QGZVFWFLSA-N 435.458 0.481 50 20 ICGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917918959 JCZKWCACWNXABD-LLVKDONJSA-N 436.943 0.396 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)c2ccccc2c1=O 920281168 NCSAFHMIDUXTTF-UHFFFAOYSA-N 442.476 0.680 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778127162 VSDCCEOOHXKIJQ-YWZLYKJASA-N 445.944 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778433644 HGRLOMHLWFGNQJ-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782841684 MHPJYNSYXIPDJE-PGRDOPGGSA-N 429.521 0.226 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1783873709 SRPDNOYSRGAJRJ-CRAIPNDOSA-N 445.925 0.182 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nccn3c1)CCO2 1783935306 RSFQPVMZLNTHTO-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21)[C@H](O)CCl 1784091196 KYNCHXZHMDMXGY-VMXABPDPSA-N 425.898 0.279 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21)C(=O)O 1786893662 DWAQFORJLOACHS-HTOAHKCRSA-N 434.331 0.060 50 20 ICGD Nc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)sc2nccnc12 1786950973 AUXYHWSNKRCDNT-YFKTTZPYSA-N 439.925 0.467 50 20 ICGD C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788734650 JGGRQWQEDSXTMT-IHPCNDPISA-N 428.338 0.952 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975054 IPPMJLFKNYPXNP-AHDPXTMNSA-N 433.933 0.337 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncn1-c1ccncc1)c1cccc(B(O)O)c1 1794794813 ZSEFKGWXTUUTPN-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736985 QSMZVYOUHPGXML-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc(C(F)(F)F)cn1 1796191109 ZVNWRYHTBGSZPE-QDMKHBRRSA-N 448.210 0.741 50 20 ICGD O=C(COc1ccccc1F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192276 VEHLDVVIEILEDL-BCDXTJNWSA-N 426.253 0.836 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnn2ncccc12 1796275224 BXBHPOBAIGVTHK-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1)C2 1797753157 VPLRRWWAVORGGD-IVWMJMPLSA-N 445.426 0.480 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cc1 1798946175 KEPISTKEXBLZQX-HGQKDGAKSA-N 439.472 0.729 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799843917 GYSZQVDQRYCBKI-XGUBFFRZSA-N 440.953 0.784 50 20 ICGD Cc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800614378 NJCLJHBMTIFVNZ-BBIADKPPSA-N 430.549 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)c1ccccc1)C2 1802334937 UOIYOESXPBSHCO-REPLKXPHSA-N 443.548 0.770 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1NC(=O)C3=O)C2 1802337167 IBJUMDOASDXKFF-BTTYYORXSA-N 441.488 0.446 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804086839 BUJANNSOVXMIHU-PBHICJAKSA-N 435.912 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnc[nH]2)[C@H]1c1cccnc1 1805579166 RPFCZPAPTMYZKA-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Br)[C@H]1c1cccnc1)C(=O)O 1807210249 XYNBJRYEZSZNFC-UJDVCPFMSA-N 441.326 0.934 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364484 ITDQNSHBQACCQU-DENIHFKCSA-N 436.321 0.177 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]1c1cccnc1)C(=O)O 1808661561 MREYEENRLNDHEJ-RJZRQDKASA-N 445.289 0.841 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)o1 1810051889 NBPHWJAQFGIZER-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)c1cccc(B(O)O)c1 1817474075 LFTPQXGSKBETBM-GOSISDBHSA-N 434.265 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2 1819793782 SNNODEAPUVIULC-QMMMGPOBSA-N 444.502 0.533 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822183698 GVPZHRRSTFSHJV-KOLCDFICSA-N 441.286 0.737 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189253 JYMGOHZJOBYXCU-GOSISDBHSA-N 440.508 0.210 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829864951 POFSNEAQJAZDRF-CRAIPNDOSA-N 432.359 0.570 50 20 ICGD O=C(CSc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723829 QWHUMZIGBRBOFQ-VQIMIIECSA-N 428.938 0.835 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732495 ZEBZZBWNOKJSNA-WBMJQRKESA-N 439.818 0.703 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1831640371 LRFGRTKZZBZKPO-RDTXWAMCSA-N 436.958 0.757 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312923 MIERXONPLULBDO-YJBOKZPZSA-N 425.961 0.691 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834823984 PHRCVBPUWZUOAJ-CRAIPNDOSA-N 432.359 0.570 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715415 OTXNJRMGCRNNJW-BEFAXECRSA-N 444.605 0.002 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838948893 QYRVQWADOLRXSF-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839153320 GRMOTTQQTWJNAI-IRXDYDNUSA-N 436.292 0.473 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839155450 UJKKUPFKYXEFMM-JKSUJKDBSA-N 443.349 0.497 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200323 ISVOYYRURHXPSY-RHSMWYFYSA-N 446.273 0.146 50 20 ICGD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1839802099 LTWFZLLOUHODMS-LPHOPBHVSA-N 440.338 0.408 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840033681 MTXWZWSTLMIMBL-MEDUHNTESA-N 447.717 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840149376 NOCYAQRIOVLVOS-KDOFPFPSSA-N 429.926 0.694 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150156 GOOMJMXWZVOHKT-DNVCBOLYSA-N 433.933 0.003 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840152172 AGNIYXHNZBFFDO-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840176993 LFZWRBRTRWMVRZ-RBUKOAKNSA-N 434.917 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1840185008 DLWYLPKHDLXLFH-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842058460 MRNSXNLNQKJNCJ-CABZTGNLSA-N 443.273 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(OCCCO)cc2)C1 1844706224 JMJHJEOEKFZHSM-UHFFFAOYSA-N 432.521 0.638 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2CCC3(CC2)OCCO3)C1 1845906238 GNIUARDIOCRRLR-UHFFFAOYSA-N 428.294 0.117 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1846385034 NCTPDLIDZOGPSN-VBKFSLOCSA-N 425.489 0.599 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 16559728 WROULYKRPJNFAK-UHFFFAOYSA-N 449.872 0.870 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 725873572 OQDXAFVSEFFFHX-UHFFFAOYSA-N 445.501 0.481 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 728474144 VYSJNTMMGJFHRN-OAHLLOKOSA-N 427.417 0.355 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2nnnn2CC(F)(F)F)c1 729947382 VBZALEHGGKCUNR-UHFFFAOYSA-N 438.413 0.192 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 731403646 QWGGVXWQOKOZKV-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 731495649 GJXNETSHHXNNBH-UHFFFAOYSA-N 444.429 0.190 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 732260121 OTKFPWIDPXVCKL-UHFFFAOYSA-N 445.457 0.420 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241568 QMCZQKBHSUFUIQ-UHFFFAOYSA-N 435.485 0.688 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2nc3ccccc3[nH]2)CC1 735117951 JZTKHYJMCAZNLV-UHFFFAOYSA-N 443.533 0.970 50 20 ICGD COc1cc(OC)cc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 735678311 MANCCNAFXKQBAX-KRWDZBQOSA-N 427.421 0.357 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c[nH]1 743260925 HNZZJDRMGGJKDA-UHFFFAOYSA-N 445.498 0.693 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1C 745700925 IAXMZXPVMJFZPH-NHYWBVRUSA-N 427.523 0.835 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3cc(Cl)nc(C)n3)cc2S1(=O)=O 748339663 YWZVPWQPBPCPIO-UHFFFAOYSA-N 425.854 0.986 50 20 ICGD C[C@@]1(NNC(=O)NCCNC(=O)c2cccc(Br)c2)CCS(=O)(=O)C1 750330696 HGBWZXCWONCHKG-OAHLLOKOSA-N 433.328 0.560 50 20 ICGD C[C@H](NC(=S)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CC1 751620980 NJZFLNRGQXNTSH-ZETCQYMHSA-N 428.316 0.186 50 20 ICGD COC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 754155904 KYEOERQBJCZJMX-UHFFFAOYSA-N 439.534 0.747 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 755086175 NOVFPDGUEZVYGW-LUVWLHFXSA-N 428.445 0.212 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(C2CC2)nn1 757699628 IRSVNHHLGKBHAE-UHFFFAOYSA-N 446.489 0.841 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757779877 ANKBZRJCJHTALN-UHFFFAOYSA-N 436.490 0.687 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 761269719 DVODRIJZOOMBFT-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1O 763530135 QNRGOKSYJFNHJN-UHFFFAOYSA-N 449.489 0.108 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)C1CC1 763562359 NJDQTJZKUVUTBM-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 763681031 DZDQVJVEVYMSAL-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(C)c1 763841279 PUDCTXVVTDSAQL-UHFFFAOYSA-N 433.392 0.851 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 763997073 VELUFPUJZSNDMF-UHFFFAOYSA-N 439.222 0.729 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764026216 WMIRXBHZVOMDPM-UHFFFAOYSA-N 436.515 0.861 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 764048342 PGIYHAVWZHOLAB-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764153535 LGLCWZUQMKWSCA-QGZVFWFLSA-N 426.429 0.487 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccoc1 764163327 IUAPDTYSYOREDN-UHFFFAOYSA-N 434.474 0.660 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 764231177 FCHBZULYGCNNFN-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764239732 RAQFOFAFQAJUKY-INIZCTEOSA-N 447.451 0.633 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1ccccn1 764267305 SDKWTDHABRJCQA-UHFFFAOYSA-N 449.489 0.059 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 764386556 ARLMCOALPGFRCD-UHFFFAOYSA-N 442.411 0.480 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)COc1ccc(F)cc1 764551195 DSUSDFAOBZNDCA-UHFFFAOYSA-N 429.452 0.876 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764606784 HJONCTDYVJEXMX-CYBMUJFWSA-N 426.458 0.642 50 20 ICGD CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 765114973 WODRVVQNEOORIJ-UHFFFAOYSA-N 425.511 0.870 50 20 ICGD CNc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 765522331 NEEMYMUKHMCPMX-HNNXBMFYSA-N 430.373 0.781 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)cc1 770623580 VAGMPRTVRSGNCE-UHFFFAOYSA-N 428.449 0.583 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)c4ccccc4N4C(=O)CC[C@]34C)nc21 770974757 QCLDBQPXTQSMAL-HXUWFJFHSA-N 436.432 0.511 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 772194038 ZEUNNYQASQLXKA-OAHLLOKOSA-N 434.497 0.031 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)n1 772351959 JZCPNKSXNPLKQW-UHFFFAOYSA-N 448.505 0.254 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 772991894 XMTNXTDQBVMVMW-HUUCEWRRSA-N 438.912 0.435 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)cc(C)n2)cc1 773525832 XBKWKRYSIVSIQA-UHFFFAOYSA-N 433.490 0.413 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(c2cccc(Br)c2)C1=O 775225516 OICPICQOQZVIHP-ZDUSSCGKSA-N 438.282 0.507 50 20 ICGD COC(=O)Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 777757467 MLSKAFXYWLKDKQ-UHFFFAOYSA-N 425.850 0.778 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2c1=O 777786431 CADLJYVJUFWPMS-UHFFFAOYSA-N 430.446 0.095 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc(C#N)n1C 777836550 LAHKZWLCMXJTES-AUWJEWJLSA-N 440.323 0.939 50 20 ICGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2)[nH]1 778445390 LLOZCDHKXJTISX-UHFFFAOYSA-N 447.448 0.167 50 20 ICGD O=C(NNc1ccccc1C(F)(F)F)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 784823912 PCJATKPOAJJNEC-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cccc1N1CCNC1=O 787556262 DUEHMBHUOXOADY-UHFFFAOYSA-N 449.471 0.740 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNc1nc2ccccn2n1 791244455 XRSBEEHMBFCUFE-UHFFFAOYSA-N 431.297 0.975 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792299712 CEWOQNRMUSKBHJ-INIZCTEOSA-N 436.387 0.290 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 792641062 HZXSRXDVNBRCML-FZMZJTMJSA-N 446.501 0.519 50 20 ICGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793447605 MQILSBJCIRTUDW-ZDUSSCGKSA-N 437.478 0.173 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(Br)cn1 794487710 BKFQHEWFZOKTFN-UHFFFAOYSA-N 427.284 0.269 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c(C)c1 796989911 LKQXOPJWXKLBRX-UHFFFAOYSA-N 444.444 0.537 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798308365 WUXVEMSPUQMUEX-CQSZACIVSA-N 430.552 0.450 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccccn2)c1 799835110 UZUNUNCIBRGDIX-UHFFFAOYSA-N 433.490 0.868 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc3c[nH]nc3c2)CC1 806873617 YJQGODYGPUAUFO-UHFFFAOYSA-N 429.506 0.580 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 811956149 LEPIJESHVCQNRB-UHFFFAOYSA-N 431.474 0.422 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NNC(=O)CCOc1ccccc1 814291417 LJPNNUUOOJVDQF-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)nn1C 815568890 XZQWTXWUKPZGAC-IBGZPJMESA-N 447.499 0.837 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 818027538 YQMAKWXVBKWOOE-GZTJUZNOSA-N 448.418 0.827 50 20 ICGD Cc1cc(C(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1[N+](=O)[O-] 912852209 QZJJMUWYJPBOGN-UHFFFAOYSA-N 448.461 0.387 50 20 ICGD CSc1ncc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1-c1ccc(F)cc1 919889472 MSNKSFGTUUXJFY-NSHDSACASA-N 427.483 0.864 50 20 ICGD O=C(COc1ccc(Cl)cc1Br)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317993878 ZWYQOWQLJGNYON-SECBINFHSA-N 440.703 0.999 50 20 ICGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cc(Cl)ccn1 1320264525 CLHQWXWZNAGRBU-UHFFFAOYSA-N 439.719 0.291 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCCS1(=O)=O 1324701673 JROUPDWBSMZFDQ-OAHLLOKOSA-N 446.570 0.841 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1 1338562771 SICFXJGTJNWGRV-UHFFFAOYSA-N 437.460 0.206 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3sccc3Cl)C2)C1 1779784868 MQKIOFQYOMOAOY-LJQANCHMSA-N 434.710 0.839 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])cc1O 1780195908 ZUOGORDYSXPCIJ-KSSFIOAISA-N 443.840 0.352 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)ccn1 1780323135 FKKNERIRIFWYPO-YWZLYKJASA-N 439.896 0.956 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(F)c1 1780352238 AMKMEMZNDMJGOS-NFBKMPQASA-N 440.280 0.947 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1783937772 XMSINBACDINJHE-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21)[C@@H](O)CCl 1784091322 NNUURAUDNLRECG-QAETUUGQSA-N 433.896 0.460 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21)[C@@H](O)CCl 1784093833 GTRZKTVCHMBZLP-CSFVBSKPSA-N 443.859 0.856 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784389636 IZSDWIGRXNKLBH-ZAHIEGGZSA-N 438.908 0.796 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788611959 CTQWRARKKNYTBM-RFGFWPKPSA-N 449.415 0.481 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788722997 YRLWEWSQILFUQM-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790753243 GAMWHOZEAYBLGB-SDNTUTLCSA-N 443.859 0.856 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)[C@@H](O)CCl 1792980753 VNZSJDFCRFYGLO-OWLDWWDNSA-N 437.840 0.274 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)n(-c2cccc(=O)n2C)n1 1793109937 ISEBKTKTMYEDEV-JYYAWHABSA-N 447.923 0.731 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)c(=O)[nH]c1C 1794311318 HOVHYPXTLPZILA-YFQWEKLQSA-N 431.320 0.826 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794313487 MUJNTZCDJZFFCW-XRGAULLZSA-N 439.896 0.450 50 20 ICGD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c[nH]1 1795732401 BACVZNLIUSIROB-XEMDLRDOSA-N 439.321 0.509 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c21 1796188773 PVLPMVHLVMTUOU-BJWYYQGGSA-N 448.288 0.524 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1OC 1796191773 VUCDCPVEDXQFAU-REPLKXPHSA-N 438.289 0.949 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446064 LDIKUVBPTFQJNE-WJRFWRBCSA-N 431.493 0.325 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797786805 JGDKEENBCAMOLY-NNXHMXCWSA-N 432.901 0.478 50 20 ICGD CCc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1797961649 RZTNXUKJMSTWIE-DRXBFXEBSA-N 444.517 0.221 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800638975 FQGSEBCLRQRQRA-OQMKEHIESA-N 442.310 0.773 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2cccc(F)c12)c1cccc(B(O)O)c1 1801174531 SEPJQCNXXGAZKR-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC2(CC1)OCCO2)c1ccc(B(O)O)cc1 1801501345 DAVBFWZOLZRVEO-ACDBMABISA-N 442.321 0.552 50 20 ICGD C[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1801506592 WUXUQYIXQNEOPX-MOSFQMPWSA-N 429.521 0.715 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 1802072138 LLKSXWDGGIFCAB-GLPAEGGISA-N 431.493 0.137 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803682255 YSGAHUJFHQDVOE-ZAAXVRCTSA-N 425.294 0.364 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806560503 NQGCBLJRXIJOTN-UHFFFAOYSA-N 429.326 0.080 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1808234246 RDYPNGLLRPQJKN-XUWVNRHRSA-N 425.917 0.788 50 20 ICGD O=C(CCc1cnccn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972509 KBYNJOQKEGZJCS-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD O=C(CN1CCCCC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980271 SYVJXUHUJJWHCI-UHFFFAOYSA-N 441.337 0.224 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815104048 XWIYMXRMYYRICB-GUYCJALGSA-N 441.297 0.310 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818126281 LNXRTSGDTILICF-CZUORRHYSA-N 435.529 0.642 50 20 ICGD Cc1ncoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795245 LEZMMGODJUYOSB-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cncn1 1826091721 ABDVKIQDFQVCRK-RYUDHWBXSA-N 434.526 0.281 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)o1 1827053071 URDLEYOXINGMBM-IBGZPJMESA-N 440.309 0.534 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1830537143 CAQBSLJKKZKSJV-GUYCJALGSA-N 427.299 0.578 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544472 ZAQXVJRDEHXFNT-RDTXWAMCSA-N 443.342 0.679 50 20 ICGD Cc1ccc2oc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2n1 1830723542 PMRVRBKBKSKWOE-FOIQADDNSA-N 437.880 0.806 50 20 ICGD O=C(CCBr)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488583 MKMIIUDTRGWORX-KRWDZBQOSA-N 448.402 0.678 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831816297 UFTCRYWXURYFRB-KZULUSFZSA-N 443.342 0.890 50 20 ICGD C[C@](O)(C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1833308591 WGXXCYSMYRDBAT-CJNGLKHVSA-N 429.867 0.471 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672157 FDEXILAEZCYPAO-SJORKVTESA-N 429.993 0.558 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834818775 DZUZRWXKDCHTTA-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834822118 AHMBKSAKBVTAGH-QGZVFWFLSA-N 429.315 0.827 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836750767 AXSFHQNZSHMNAC-LJQANCHMSA-N 447.536 0.314 50 20 ICGD COCC1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1836855044 YAKUCVOGRHYZGI-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208563 VCRYMTOGHLFSMZ-IUODEOHRSA-N 439.734 0.624 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840852505 PEILYDJZSCCOCR-YJBOKZPZSA-N 448.358 0.533 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1841924536 XSVGJHGZLTZRQA-LBPRGKRZSA-N 427.893 0.009 50 20 ICGD CC(C)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844263588 SSLOWUROALHBCO-UHFFFAOYSA-N 428.537 0.623 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c21 1844264576 JMNZNCMVMXLLAY-UHFFFAOYSA-N 449.471 0.408 50 20 ICGD COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 727100352 QXTWEPSCROIKAD-FUHWJXTLSA-N 445.497 0.748 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)CCCc2ccccc2)CC1 727845957 CEEACBICTLOPHB-UHFFFAOYSA-N 425.555 0.954 50 20 ICGD O=C(NNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 729339900 CUVHZBJLTISLNJ-CHWSQXEVSA-N 446.938 0.373 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)NC1=O 729742927 MKVPNEBLAZRAAC-BZNIZROVSA-N 441.396 0.550 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)n(C)c1 732261264 LVDZCVVYMKBEKB-GJZGRUSLSA-N 443.570 0.316 50 20 ICGD O=C(CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)NNC(=O)c1cccs1 732985264 NFFSLYHHJZMKDI-QGZVFWFLSA-N 427.530 0.932 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1OC 742033538 RPIXKJWMOAPDRS-NSHDSACASA-N 439.494 0.182 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 742576462 BZMVZDNJSKCFDB-LSDHHAIUSA-N 440.522 0.812 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 744552563 XGLJGEASOMKBGO-SZNDQCEHSA-N 430.461 0.800 50 20 ICGD O=C1COc2ccc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cc2N1 744619083 HHJYRLJKLLZCSW-UHFFFAOYSA-N 432.458 0.795 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(N)c(OC)c1OC 744856064 DNPPOMBASGCQKU-UHFFFAOYSA-N 428.401 0.784 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1cccc1 746100358 GLTPGGCZTVKMSL-UHFFFAOYSA-N 434.518 0.679 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748246804 PTFSILJHGWZWBB-UHFFFAOYSA-N 430.486 0.895 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)N1CCCC1 748247186 VYBAOQTVDVYRQB-UHFFFAOYSA-N 434.452 0.909 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 753817047 CQGXMAWAQCACDP-UHFFFAOYSA-N 439.582 0.740 50 20 ICGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1Br 755509822 ZIEQEPXLDFTBNM-ZETCQYMHSA-N 437.272 0.326 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)Nc1ccccn1 758828317 RSHBLGOFYJNTNL-LLVKDONJSA-N 446.261 0.983 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1Br 760244531 PJOGDRSGGACJLD-VIFPVBQESA-N 430.284 0.334 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 763648825 GIDGSRKZDUVYNA-UHFFFAOYSA-N 441.488 0.968 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 763738353 TXGOELAHBJTPQP-UHFFFAOYSA-N 449.445 0.310 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790237 GXTBBONTBMIKOZ-UHFFFAOYSA-N 437.412 0.428 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cccc1C(N)=O 763849794 NAQKACXPGMWZCX-ZDUSSCGKSA-N 428.445 0.964 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c2ccccc21 763981042 RMCKFMLJTJPYDK-UHFFFAOYSA-N 448.439 0.630 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1cccn1C 763995781 LQZGQINSPGEUGE-UHFFFAOYSA-N 428.493 0.575 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1Cl 764001057 ZQCAINUHIKEYQK-NSHDSACASA-N 439.881 0.355 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2s1 764228242 WJYZHJQVKCHGCR-ZETCQYMHSA-N 431.521 0.042 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 764299223 AGYXFZMLCUPWNB-JCMHNJIXSA-N 439.494 0.012 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764333428 UOIMSLUDEPWVNX-MUIFIZLQSA-N 448.426 0.853 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1c1ncnc2sccc12 764344203 UWYMMTNTQUKCGZ-CQSZACIVSA-N 425.474 0.633 50 20 ICGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764358467 FODKLLXQPRCNAS-UHFFFAOYSA-N 440.254 0.608 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764405644 VFHWGGZVHRADPY-UHFFFAOYSA-N 437.499 0.815 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C#N)CCCC3)CC2)cc1 766637104 WVXCSZXJFYPBBL-UHFFFAOYSA-N 433.534 0.533 50 20 ICGD Nc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] 766640858 GOURLWBBOPKGED-UHFFFAOYSA-N 426.433 0.396 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766764854 JTCXZMOVBLIWJQ-UHFFFAOYSA-N 436.384 0.900 50 20 ICGD CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 767212783 KTPXVKHDRFZHRJ-UHFFFAOYSA-N 432.506 0.559 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CC1 770341315 MLTTWYUOEUKDPB-UHFFFAOYSA-N 440.530 0.727 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCN1c1nccn2cnnc12 771200045 OXRFBVLMVOIHFM-JTQLQIEISA-N 448.285 0.780 50 20 ICGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 771989462 MITDSZFCJWWSSG-UHFFFAOYSA-N 442.476 0.618 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 772187138 RXZMYOKGNYOWCO-IUODEOHRSA-N 431.449 0.025 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3ccc[nH]3)CC2)cc1 783676193 PPGPMENEHGWRQF-TWGQIWQCSA-N 431.518 0.490 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)ccc1C 784969118 IKMSQZZHJMESOB-UHFFFAOYSA-N 449.537 0.963 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 798305916 LVCYQYTXGWUDIP-NSHDSACASA-N 430.508 0.291 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806568528 UNLAIFYNMIXDIB-GFCCVEGCSA-N 442.416 0.227 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NC(=O)c2cccs2)cc1OC 812862149 PJHLTNCBOOETDG-NSHDSACASA-N 435.458 0.888 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2nn(C)cc2Br)cc1OC 814598568 DEWYCRPWJRCEOX-UHFFFAOYSA-N 441.238 0.818 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 815691249 JPBHERDIWBHFJU-NSHDSACASA-N 445.867 0.407 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 906369563 OIHXTRCWWRMIKI-UHFFFAOYSA-N 429.476 0.235 50 20 ICGD O=C(COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)NNC(=O)c1ccccc1 914944222 IHJVCJBNGRXMNX-UHFFFAOYSA-N 446.485 0.487 50 20 ICGD CC[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 919889739 SGSMESJIXSTVOT-QWHCGFSZSA-N 441.901 0.462 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccno1)C2 1778091375 NEQBAFPNIAYDBD-ZNUZEINGSA-N 442.476 0.936 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778432242 WCIFEHWDXIIEIY-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)CCBr)CCO3)C2)no1 1779124853 QNXKUEAYLJCDCM-QGZVFWFLSA-N 443.298 0.328 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371245 KNYYBYRZZFIBLX-VVGBGTGLSA-N 447.536 0.220 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879436 GLYCUEJOJHRRPJ-APPDUMDISA-N 440.298 0.193 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332194 VONLCHGLQRLAMI-BLLLJJGKSA-N 426.246 0.863 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1783936123 RJHIVYWXMMOYOC-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783936692 RHVOXEIYDDOBFI-QHCPKHFHSA-N 446.548 0.831 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092486 LYGMEESUQRSGOH-HJWJTTGWSA-N 437.924 0.595 50 20 ICGD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980097 IXDAMILQFLXIOM-SZMVWBNQSA-N 434.367 0.349 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1onc2ccccc12 1790403750 LOGPPEAFRJSWDE-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD COCc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791290881 QOFAVQHNKTXHRR-BQFCYCMXSA-N 435.525 0.127 50 20 ICGD Cc1cc(C)n(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1791511185 ILASLTNGUNHRIZ-FHWLQOOXSA-N 448.568 0.243 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791609942 OGGANRDZAZFTRK-QTVXIADOSA-N 428.331 0.850 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791691488 XDPMVBWJVKRHSD-YHQUGGNUSA-N 429.319 0.387 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1796027181 HDHNMAIKAWFLMJ-XLWJZTARSA-N 432.949 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c[nH]nc2c1 1796175259 AFNZAAFUGLJNBQ-CWPLJXCYSA-N 428.493 0.139 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192022 BPDAYBSLVDVPOJ-WPVAHCMFSA-N 440.305 0.374 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nonc2c1 1797398128 GDBNUMWWMWXKAI-BTTYYORXSA-N 435.444 0.787 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\C(=O)NC1CC1 1798295810 KXWHITVRCDNMDQ-UVVYRZHCSA-N 440.504 0.593 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CCCN1Cc1ccccc1 1801191494 RDCLIRYYGWNUCP-WPVAHCMFSA-N 435.952 0.840 50 20 ICGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1801961086 QLVQPTMPBKENHH-MMWGEVLESA-N 445.339 0.873 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncccn2)[C@H]1c1cccnc1 1805781008 SKQYLMQPLFVOED-MAUKXSAKSA-N 446.471 0.504 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807048215 QBJXJWVNYZUWOA-DFHZNHDVSA-N 444.363 0.917 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369935 ZEDTVUYQAJUUTC-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978640 FYPUFITWPIABPN-QGZVFWFLSA-N 439.325 0.139 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2)C(=O)O 1815076296 IXUNLAZOTKABPF-PSASIEDQSA-N 433.328 0.903 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCBr)n[nH]1 1816782397 NFUQZKJFKXUELV-ZYHUDNBSSA-N 429.319 0.780 50 20 ICGD CN1CCN(C2(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H](O)CCl)[nH]n3)CC2)CC1 1820794098 RKZKNXUMBFNRKT-HOTGVXAUSA-N 438.960 0.782 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822371220 ZNADTBXHVHNTPG-JOYOIKCWSA-N 449.859 0.095 50 20 ICGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826741016 PKBLCUYHCJEHIH-QGZVFWFLSA-N 430.509 0.007 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827010593 RQCLVSHMRGHASC-ZKKXHLJNSA-N 449.301 0.552 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053701 XVJZKPCQCZRYPE-ANUWBXLYSA-N 441.337 0.640 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830350369 SIIVRDCALXXWHM-XLIONFOSSA-N 442.896 0.481 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1C 1830731357 JABYLVHLZJIUKQ-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831646440 LORIPNIZYCYUMG-PXNSSMCTSA-N 431.961 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 1831875227 VWRFVBZMLUCIMO-IBGZPJMESA-N 449.596 0.992 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833864447 GTOPSFUVMBDYEE-LRDDRELGSA-N 449.277 0.189 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834163335 FBEPJIFWOBQQRX-KSSFIOAISA-N 443.342 0.972 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834822492 QGVIQWUBVBXOOK-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834955879 QLJCVKUZBALOPI-XLIONFOSSA-N 426.897 0.776 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)C(C)(C)C)CC2)CC1 1836695874 QAKKTYXUHFFHAZ-HXUWFJFHSA-N 440.585 0.765 50 20 ICGD CC[C@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837914141 PFHBUWIIEMYNNW-IBGZPJMESA-N 446.552 0.295 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cn1 1839150878 AIEFVYJBVHEFLB-ROUUACIJSA-N 447.319 0.792 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198153 VYLUAUSXWVCEJR-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716018 KKDFNFMXLMSLFN-MAUKXSAKSA-N 443.342 0.821 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839960509 LFEUUYDNXZCHOF-BBTUJRGHSA-N 440.924 0.300 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030461 NACRLZUTCFEKCD-DXCKQFNASA-N 434.331 0.141 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034072 ZTJIBZXETOHYNY-DIFFPNOSSA-N 429.315 0.880 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840153068 BZLDNGWUNMLWSH-UZLBHIALSA-N 440.928 0.543 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CCOC1 1841352931 UZSIVMPQUXSMKB-DJJJIMSYSA-N 431.917 0.473 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1844265108 UVTIDXSDGFNFTR-LJQANCHMSA-N 447.499 0.268 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1846385206 CWYJINPHWCBREB-SOFGYWHQSA-N 431.493 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(OCCCO)cc1)C2 1846385308 OPTNMCBITKNINL-UHFFFAOYSA-N 432.521 0.638 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[S@@](=O)c1ccccc1 1846386005 UJAFVOUMSRJQIN-BEIWTESXSA-N 434.562 0.759 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CC(N)=O 1847858653 OHFKVKKEJJWSLU-UVBJJODRSA-N 432.433 0.847 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 15902041 IZGKDSXSSGVSCL-UHFFFAOYSA-N 429.458 0.313 50 20 ICGD O=C(COC(=O)c1cncc(Br)c1)NNC(=O)[C@@H]1COc2ccccc2O1 104534541 AAEYARWBNFERIK-AWEZNQCLSA-N 436.218 0.988 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNc3nc(-c4cccnc4)no3)CC2)cn1C 728074707 HZMLAMXKSOTVIU-UHFFFAOYSA-N 446.493 0.718 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1nc(-c2cccnc2)no1 728078776 VKCGBMWPPBCIBK-UHFFFAOYSA-N 446.445 0.715 50 20 ICGD COc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(I)c1O 730576047 LGJOTDMDJXMLJI-SECBINFHSA-N 438.243 0.890 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732992589 WRSRVHZFWQUKJF-UHFFFAOYSA-N 438.428 0.799 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CC=CC1)c(=O)n2Cc1ccccc1 740814606 BNKTXLHYXFXDPQ-UHFFFAOYSA-N 436.472 0.542 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC[S@](=O)Cc2ccccc2)c2ccccc2c1=O 741420535 PQHSIBJKUVZNOB-PMERELPUSA-N 427.486 0.826 50 20 ICGD CCn1c(NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nc2ccccc2c1=O 742041712 DBEFCHZDSQTTCV-GFCCVEGCSA-N 447.521 0.577 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1C 745977050 PFQBRHYHNQWWNL-UHFFFAOYSA-N 443.507 0.037 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)Cc2ccncc2)nc2cc(S(N)(=O)=O)ccc21 747323589 APQSGKXSHKLALS-UHFFFAOYSA-N 444.517 0.811 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 747324918 QMZXYHZOBDUOGA-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 748674108 LBYDIFRSVCEFSH-UHFFFAOYSA-N 442.475 0.315 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 750932424 JRDPGASQYKLESB-UHFFFAOYSA-N 426.499 0.074 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)NC(=O)NC1=O 751058777 KLUNMKXJNQUPCS-NRFANRHFSA-N 434.412 0.707 50 20 ICGD CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 751209846 VJLLTHLUZHGDLC-UHFFFAOYSA-N 436.515 0.651 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 751427087 YBWFBSSZTGUKEI-ZIAGYGMSSA-N 448.549 0.889 50 20 ICGD CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 752125904 CADBICNGNHWCPH-OAHLLOKOSA-N 443.489 0.859 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br 756169291 JUCOXLLNJDSKFS-SECBINFHSA-N 446.254 0.373 50 20 ICGD O=C(COC(=O)Cc1ccn(-c2ccccc2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 757166871 YJTOSPYUNCTURX-IBGZPJMESA-N 436.424 0.945 50 20 ICGD Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046279 GVODEGGMVJSQHY-JTQLQIEISA-N 430.483 0.868 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)nc1 759739250 JXNUORHPJPWHMM-MRXNPFEDSA-N 438.444 0.861 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2OCC)cn1C 760510250 QBIIASVFVIXBBR-UHFFFAOYSA-N 425.463 0.989 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNc2nccc(N3CCOCC3)n2)n(C)c1 762851434 PAIADMARJSXLLP-UHFFFAOYSA-N 437.526 0.439 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763472046 RYAJAKBFWHTNTI-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD Cc1cncc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 763512956 VTXCSPLGAOJCNG-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c2ccccc2O1 763784276 FDAXCBNFSNHCKN-AWEZNQCLSA-N 428.470 0.538 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763865118 IPDIEXDRYSXOPS-SJKOYZFVSA-N 445.403 0.708 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 763873261 UKZHVYYLMCEVJN-NSHDSACASA-N 430.392 0.681 50 20 ICGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C1 763998542 PSVKDCKJDKGXGU-GOEBONIOSA-N 436.534 0.439 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 764001549 ARNUYOHIODICDK-UHFFFAOYSA-N 441.242 0.098 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1-n1cnnn1 764126336 HZGWIXJYYUSGMD-UHFFFAOYSA-N 431.796 0.430 50 20 ICGD CN(C)C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 764202893 FOACFEITZCPGOS-UHFFFAOYSA-N 435.481 0.779 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 764226308 HRKXFODWSBEYAS-LURJTMIESA-N 430.792 0.382 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764278317 VUHSOCKQNGHPAL-UHFFFAOYSA-N 430.417 0.268 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 764608264 OQMSHXKVDAYLII-UHFFFAOYSA-N 443.489 0.746 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3c(C)c(C)nn(C)c3=O)CC2)cc1 765177696 UFCNLAVWFUERMS-UHFFFAOYSA-N 426.521 0.284 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 765461685 BDMBFHNTTZWMQV-ZDUSSCGKSA-N 445.517 0.868 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 765637000 ZMLFIHOFXKRERU-NSHDSACASA-N 446.555 0.065 50 20 ICGD Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643777 SJMKJHAJICLMJM-UHFFFAOYSA-N 440.504 0.833 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767849491 FSDJARYEYCLFFQ-UHFFFAOYSA-N 443.389 0.533 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)NCCSC)CC2)cc1 769767184 ALSPOKCGEZRDHH-UHFFFAOYSA-N 446.620 0.954 50 20 ICGD COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 772948550 UAYYGYUAGJCANR-VXGBXAGGSA-N 447.373 0.348 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 773723642 CKOCPFBCHGPQAD-ZDUSSCGKSA-N 448.505 0.988 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 775288584 XFRQJTFTXLIWSO-UHFFFAOYSA-N 439.803 0.725 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H]1OC 776533216 ZVYHUNGRAWUHKV-BBWFWOEESA-N 440.522 0.608 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 778437863 MNQYVCCPPJXEAX-OAHLLOKOSA-N 440.522 0.902 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H](CO)C[C@@H](O)c1ccccc1 778588385 HHJUHZABKATUHL-GOEBONIOSA-N 435.506 0.408 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c(Cl)cnn3C)CC2)cc1 780234730 GWJGCXWYXSYNJL-UHFFFAOYSA-N 438.941 0.839 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003264 CMEULSOTCMZNDS-NSHDSACASA-N 447.473 0.237 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C1 788169481 PGJNTUSUSQPCNZ-HZPDHXFCSA-N 437.566 0.955 50 20 ICGD CCOC(=O)c1oc2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2c1C 788744622 VTQZRQPGEIQMFT-LLVKDONJSA-N 444.487 0.662 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C 789733292 YGNWMMNFJZEUHX-AWEZNQCLSA-N 431.449 0.835 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 789852686 SWVCHFJVBIKDKM-UHFFFAOYSA-N 449.221 0.064 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCC(=O)c3cccn32)CC1 790730389 OJIFMGNQTPOWPF-OAHLLOKOSA-N 432.506 0.480 50 20 ICGD C[C@@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OCc2ccccc2)C1 793178392 ZQHWEMXFYMRJEZ-HNAYVOBHSA-N 438.506 0.553 50 20 ICGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(F)c1 802567587 ZUMOZGGWBLBKRT-UHFFFAOYSA-N 428.399 0.739 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C)c3)c2C1 803835793 BMNGSBWYBGXQJN-HNNXBMFYSA-N 427.461 0.508 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)C1=O 807238046 QXUGFNHMIGOTOA-UXHICEINSA-N 449.533 0.793 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 807454662 RVWBCCFBNYKRHV-UHFFFAOYSA-N 435.293 0.649 50 20 ICGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc2ccccc12 812889798 WCRCMIOJOMQCHG-HNNXBMFYSA-N 432.502 0.819 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 814648040 IZDWZKNAGMYEMF-UHFFFAOYSA-N 434.518 0.343 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)ccc1=O 904219628 SIYKXSSPQHBMPS-UHFFFAOYSA-N 430.424 0.613 50 20 ICGD CSc1nc(O)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1C#N 913654412 DGSIMYLAXJZMEK-UHFFFAOYSA-N 449.514 0.771 50 20 ICGD O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 915901843 LBSLAVNORDEWKG-OAQYLSRUSA-N 439.516 0.975 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 916645090 BIWUXENMHGWTQD-UHFFFAOYSA-N 430.490 0.706 50 20 ICGD Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 919886300 RCZXTPZKROKLRI-WBVHZDCISA-N 436.534 0.673 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1Cl 920435017 ANBGZGNQFGHTPN-UHFFFAOYSA-N 430.914 0.800 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1 1349194170 SXVSICZIBYKZQW-CYBMUJFWSA-N 435.481 0.904 50 20 ICGD Cc1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778322489 QSMZTAHOIPTWSE-NFBKMPQASA-N 437.305 0.511 50 20 ICGD O=C(c1ncccc1Br)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779650010 XSGRNVUJVTZVRE-WBMJQRKESA-N 432.702 0.887 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780124053 PZECWJJLKLBOEY-XLIONFOSSA-N 426.897 0.491 50 20 ICGD C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210423 RJFRCUUMKMAMFP-XMSQKQJNSA-N 438.569 0.856 50 20 ICGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)c1=O 1786401124 PZLHEEZJDAMJKQ-QEJZJMRPSA-N 426.311 0.764 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1786406973 KWMJLSAQVDOLCV-IHRRRGAJSA-N 432.315 0.593 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3)[C@H]2C1 1786485616 GXKHEVBYUORVGU-WDSOQIARSA-N 432.521 0.418 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1)c1cc(=O)n2[nH]nnc2n1 1788407292 AAXYNLPUIMASCB-ZDUSSCGKSA-N 431.840 0.160 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788670366 OIQWLHFNVPCRFH-YXWQFLTLSA-N 426.901 0.710 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)nn1 1789924541 KYOLSIISTOBHAL-WRZDFSGXSA-N 431.262 0.769 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791559396 XYMDWZRYVJFEMC-IHRRRGAJSA-N 427.603 0.728 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792465252 SPTOHWIAGGXQQK-AYDFFVQHSA-N 434.400 0.656 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1792873351 VGKJTBGNUOPVLD-XPCVCDNBSA-N 426.311 0.828 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1793880083 MXPWDQQXJCPDDW-RNJOBUHISA-N 443.888 0.405 50 20 ICGD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1795211039 DVVQDLJSMCPIHP-HBCWATKFSA-N 435.433 0.760 50 20 ICGD Cn1ccc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c21 1797050977 ALUQDEWDAJLVJT-RMFSNUHRSA-N 447.300 0.375 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797666899 QVCGVLNOGHTHEF-LAVAIGHBSA-N 437.305 0.070 50 20 ICGD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797752940 NDYWBFZUHLLODN-XEMDLRDOSA-N 437.500 0.765 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)nn1 1798754168 QGWMRMHTQUOKBK-OHTBPHCPSA-N 427.299 0.862 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799152225 VJBUURFFBBQCMM-GFAJBQDWSA-N 437.613 0.829 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@](C)(Cl)CCl)CC2)CC1 1799275981 FJQOVSIWQARYDA-YYAJDYIMSA-N 447.407 0.592 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347190 MPVWNGPWJWUYAH-LYIQGSDWSA-N 438.294 0.791 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2)[C@H](F)Br 1799348576 KSIDNTPHPXLSMB-XIVUIJJLSA-N 444.183 0.717 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800392286 RISQUSYSEDVQKC-FSPSUXSGSA-N 427.350 0.390 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1800976659 AYDNQBCLWITIRX-AHXJXLJNSA-N 437.880 0.475 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372566 GIZWIMBLABKQMQ-JBINPLMMSA-N 449.341 0.956 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977983 PSVZOYLHYAHPNT-FQEVSTJZSA-N 427.354 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@H]1c1cccnc1 1811230202 AMTRYDCGPUIXFG-HNAYVOBHSA-N 441.492 0.270 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075000 YNTRGWZRPCYEBO-UWJYYQICSA-N 439.520 0.873 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCN3CCN(C)CC3)sc2C1 1814586312 LNAUAJHGACTNAE-ZIAGYGMSSA-N 444.001 0.946 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815476510 NERZHATXFQSCDP-OCCSQVGLSA-N 437.884 0.971 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825076613 IVQSMSHOVWJRMA-FPMFFAJLSA-N 443.342 0.988 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084144 ZUKSXBGWKFRNBI-NEPJUHHUSA-N 438.554 0.343 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060668 WIFZGBRWQXXWOS-RTBURBONSA-N 436.745 0.854 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544470 ZAQXVJRDEHXFNT-KDOFPFPSSA-N 443.342 0.679 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731640 NDNKIUWSYQZNMY-AUUYWEPGSA-N 440.859 0.372 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831648802 LIHNHZWWPLKMLF-TZMCWYRMSA-N 443.342 0.941 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831877296 ZSGMXLXGDXSDGU-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1)[C@H](O)CCl 1833308283 PGJHRPBIHHBNCK-LJQANCHMSA-N 448.955 0.603 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1834822223 DQZWZCIOLMLUNP-GOSISDBHSA-N 426.311 0.866 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1 1835642790 RQMAVDJWYIQUED-KRWDZBQOSA-N 446.976 0.888 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1 1836360918 WHULYTVNGOJVSG-OXQOHEQNSA-N 425.913 0.968 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836614213 DKECQYNKRFESKJ-NRFANRHFSA-N 448.300 0.109 50 20 ICGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1836732320 UAMWWPFLBWJRPX-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838415703 SFUIYMFMVWVGLP-GUYCJALGSA-N 444.872 0.360 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839648103 SNEYPTHWHHNORS-DQADQBJQSA-N 436.336 0.719 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840031754 BIEWBESHNQLUMJ-JCKWVBRZSA-N 441.326 0.321 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)ccn1 1840033510 HVKOCBFWDOZXCC-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)CC1 1840034989 CFTDPIXRUUTISD-MLGOLLRUSA-N 433.299 0.179 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CCCCC1)CCO2 1840125603 ILDVOWKKSUVHFU-QFIPXVFZSA-N 438.569 0.786 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1840151054 VBHSVFCPNVIIES-KSSFIOAISA-N 446.957 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840155117 QEFPPXDJBYRCAW-HNAYVOBHSA-N 428.869 0.422 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844222680 VLGBHGMLAXWLEA-LBPRGKRZSA-N 427.889 0.198 50 20 ICGD N#Cc1ccc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 725873772 RBHHMVUKSZJFOL-UHFFFAOYSA-N 426.502 0.908 50 20 ICGD C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)C(=O)N1CCCC1 726283190 XVTOAQDANRWZAA-HNNXBMFYSA-N 430.509 0.957 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(N4CCCC4)nn3)cc2)CC1 728214092 JJZFVKJILPHYKT-UHFFFAOYSA-N 445.549 0.770 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 728729684 TVTLUNVGZWNQPY-MRXNPFEDSA-N 444.513 0.918 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)COc1ccccc1O 730778283 FHBLXGHWNBFQRM-UHFFFAOYSA-N 436.490 0.745 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 732262591 UPDDRHXPTUAEDU-LKBUQDJMSA-N 449.483 0.239 50 20 ICGD O=C(NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)c1csc(N2CCOCC2)n1 733885179 UBCDKHXBRSQCSW-FQEVSTJZSA-N 431.518 0.378 50 20 ICGD COC(=O)c1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 735116638 ATOSMJCEEFHZGN-UHFFFAOYSA-N 439.519 0.623 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1csc(N2CCOCC2)n1 742240137 KHKXIHNXQMPARI-UHFFFAOYSA-N 444.561 0.953 50 20 ICGD COc1ccc(Cl)c(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 742983348 TXJMHDBRIUNXJQ-UHFFFAOYSA-N 444.926 0.251 50 20 ICGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(Br)c2)CC1 743627294 YNNUJYBNRSUDFR-UHFFFAOYSA-N 426.315 0.946 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2)cc1 743830038 LCPBLWGLMKXJOU-UHFFFAOYSA-N 440.503 0.611 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)c1 744385882 YEVSBVNUUHBWJS-UHFFFAOYSA-N 442.538 0.204 50 20 ICGD Cn1cc(C(=O)NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O 747944807 XLQRIDAWYUAZSK-UHFFFAOYSA-N 436.475 0.098 50 20 ICGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 749399614 NLDYZZVKNSTZDF-UHFFFAOYSA-N 443.485 0.814 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc(Cl)c1OCC(N)=O 751209299 ONICWTPEMWTWJK-UHFFFAOYSA-N 440.865 0.465 50 20 ICGD O=C(COC(=O)Cc1ccc2c(c1)NC(=O)C2)NNC(=O)[C@@H]1COc2ccccc2O1 752043955 PFKVIDYKLYMWPY-KRWDZBQOSA-N 425.397 0.254 50 20 ICGD O=C(NNC(=O)c1ccc2nc[nH]c2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 754828011 FWSOLPKXVDMZAQ-UHFFFAOYSA-N 430.446 0.054 50 20 ICGD CS[C@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 757096703 UFQADVJLLSJPMI-OAHLLOKOSA-N 428.580 0.590 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 758046897 USOLBGYESVCKGR-LBPRGKRZSA-N 435.462 0.906 50 20 ICGD O=C(COC(=O)c1cccnc1OCC(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 760644536 GYZSOKDUGCTSIW-AWEZNQCLSA-N 437.355 0.870 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccncc2)ccc1F 763465348 WSPPQNQZRSQTJL-UHFFFAOYSA-N 437.453 0.697 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 763471013 BJTMGSQYUSDYQQ-HNNXBMFYSA-N 428.357 0.323 50 20 ICGD CC(C)(C)n1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763531911 SZUKGGSNRJJGII-UHFFFAOYSA-N 441.536 0.936 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 763543215 MRPCQYDJTWIUEK-QGZVFWFLSA-N 443.412 0.432 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 763717540 ZFDCVQRHIJRCEV-UHFFFAOYSA-N 434.474 0.322 50 20 ICGD O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccn(CCN2CCOCC2)n1 763728244 KSQFNTLBAKFVJE-UHFFFAOYSA-N 444.536 0.518 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1OCC(N)=O 763857233 KUYOTMVDCKSDDM-NSHDSACASA-N 448.407 0.252 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 764000790 YXXJUZYNJDNIRN-LBPRGKRZSA-N 437.474 0.639 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)c1 765576142 NOVDQDOWDHVXKQ-FPAYPSAMSA-N 437.456 0.617 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC(C)(C)C)cc2)n(C)c1=O 765729115 UTLSDBWQGYZRTG-UHFFFAOYSA-N 428.449 0.072 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2ccccc2F)C1=O 771266653 LCHFWVZOHQIXQA-NRFANRHFSA-N 428.420 0.991 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cc[nH]n1 772494311 WTOSBNAOBXZIPQ-UHFFFAOYSA-N 443.395 0.684 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)ccc21 778714290 SLEYGWFSIHJLFQ-UHFFFAOYSA-N 446.847 0.981 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 782052778 GHCRYHFYINYSQL-GOSISDBHSA-N 433.534 0.646 50 20 ICGD Cn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004869 LOXCLLWNFGHFEQ-UHFFFAOYSA-N 427.446 0.060 50 20 ICGD CC1([C@@H]2CCCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)OCCO1 784172279 QKOYREHGWCSENS-CYBMUJFWSA-N 425.511 0.809 50 20 ICGD C[C@H](CNC(=O)C(=O)NNc1c(Cl)cc(Br)cc1Cl)S(N)(=O)=O 785004304 KWSTYBRUDOZEJL-RXMQYKEDSA-N 448.126 0.992 50 20 ICGD CSC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCC1 787441636 SFYMNABCZAKZOJ-UHFFFAOYSA-N 440.591 0.734 50 20 ICGD Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NNC(=O)C(=O)NC(C)C)c1O 787857721 KFVPCBFUVDMTAI-UHFFFAOYSA-N 438.440 0.782 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)Nc1cc(F)cc(F)c1 802002139 FUJGLSFCESFTLZ-MRXNPFEDSA-N 425.436 0.831 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802103524 UFCSAEICMAPYPH-NSHDSACASA-N 431.430 0.807 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)c1cnn(C)c1 807082952 YUXXJESQZAVUSW-MRXNPFEDSA-N 445.480 0.301 50 20 ICGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 807379045 RGNQGZBLIWHQFJ-GJZGRUSLSA-N 426.562 0.200 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 813033730 IXDYFLPKCPVFGX-UHFFFAOYSA-N 445.501 0.911 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 815691939 GAFJONRERPCEAD-AWEZNQCLSA-N 444.455 0.966 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 815751790 OHUXQYZWEBYQTP-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD CCOCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 913160956 AHEYNNKMMVBXBC-CQSZACIVSA-N 429.495 0.137 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(C(N)=O)cc2)cc1 916530899 OFSHXPZNCNRMAS-UHFFFAOYSA-N 433.490 0.245 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)c1ccc(Cl)nc1 917747538 SOTLCIQGNMTOKT-NSHDSACASA-N 438.849 0.796 50 20 ICGD COc1cc(C(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc(OC)c1OC 920254083 KFQCJCIWQJIQLN-UHFFFAOYSA-N 448.457 0.838 50 20 ICGD C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 920350517 VHYQPSPBQFZXGV-SXGZJXTBSA-N 438.550 0.817 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccc1 1779035441 HJAPDWPPOKILDL-MWTRTKDXSA-N 437.500 0.932 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782384458 CRGDXMOEUMCZQV-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1783990540 DVRWLCMBXSOYBY-PEDHHIEDSA-N 437.896 0.386 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785014168 UYEXGXMWQPIDBL-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785588754 FJECSGGDMVOSFL-UHXUPSOCSA-N 429.315 0.750 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785595367 DLDOGPZAEOMEEU-MNXVOIDGSA-N 429.315 0.893 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)s3)C[C@@H]21)c1cccc(B(O)O)c1 1786984606 RJTFIFBOEXWVFA-BPUTZDHNSA-N 432.282 0.474 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccc1O 1786984755 FUAQINZMPXANRK-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4=O)C[C@@H]21 1791255563 UWQVQJIKWRWXEG-RUGDWHBFSA-N 435.908 0.777 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793361694 PGNPNMQNNCBUEK-MCYUEQNJSA-N 437.356 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CCOCC1 1795458863 YTXYXYYILNEYKR-NAMOIKSGSA-N 445.520 0.527 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2)c1ccc(B(O)O)cc1 1795735870 HONYXEMSUCXSRJ-OPMZPASUSA-N 448.284 0.012 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc12 1797415718 XBRZIEIUTRYNQM-HBCWATKFSA-N 428.493 0.139 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2ccnc12 1798114167 LOXWQRCJSCJXTB-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Br)c(=O)nc1O 1800165189 LFYVHYHLAGOKAB-NOHGZBONSA-N 431.262 0.586 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1800977913 HIKMEZGCCPMDJR-FZKCQIBNSA-N 445.944 0.697 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2 1801011320 HMADCCAYSQWPTG-HRYATBACSA-N 442.582 0.209 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn(-c3ccccc3)n1)C2 1802336019 DRINQJCRSOMULX-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)C(C)(C)C)[C@@H]1c1cccnc1 1803080134 ULDROPSNBVFIJT-UXPWSPDFSA-N 433.553 0.867 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1804490366 BRXWOUCULOIWCG-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1)C(=O)O 1807209017 JABOHSSHXRTSPY-LJIGWXMPSA-N 426.901 0.404 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807366369 SYUROIRSIUKLIO-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376265 UXBFMYRYYSLXBC-DYESRHJHSA-N 449.272 0.480 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975151 VJDZTOHQGYUGRE-UHFFFAOYSA-N 429.326 0.080 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811230195 AMTRYDCGPUIXFG-BEFAXECRSA-N 441.492 0.270 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@H]2c2cccnc2)CN1 1812644249 XMNHUOVGSLFROF-JURCDPSOSA-N 427.274 0.914 50 20 ICGD CC(C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1814945519 AXQOYYYVDBOXOH-WBVHZDCISA-N 429.481 0.731 50 20 ICGD Cc1nocc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354760 CLMVYPDVDINGKD-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1)[C@H](O)N1CCOCC1 1819443527 ATUYMIITFUHJBJ-DYVFJYSZSA-N 444.330 0.837 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ncccc3F)sc2C1)c1cccc(B(O)O)c1 1820921094 XCXXPFKYJAKJNG-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1822414259 OYMNFMASSDOUFQ-ZDUSSCGKSA-N 446.468 0.290 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)sc2C1)c1cccc(B(O)O)c1 1824651883 ZBYPXWYPUXOPSC-KFZJALRRSA-N 441.343 0.924 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885765 OKQOQHJCVSTDIM-BEFAXECRSA-N 446.386 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1830534903 DPQCHBPUWABIPA-KDOFPFPSSA-N 441.326 0.507 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719722 IOUDJQPLHJMRFF-QRWLVFNGSA-N 448.944 0.555 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731052 HKFZTMTXBBHDMH-BEFAXECRSA-N 440.859 0.143 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736628 VMMTUHYTZUXENO-YWZLYKJASA-N 438.864 0.808 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1F 1830736876 BWBIPBQLJBHKKP-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832677193 UJGXROMHCYWEQJ-FQEVSTJZSA-N 437.569 0.768 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n1 1833308276 OVTAXKGHMXVEKN-GOSISDBHSA-N 425.961 0.671 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833590677 PEXHACASQQVOIM-MGPUTAFESA-N 442.944 0.962 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609541 ROHWARVLWHGODO-RDTXWAMCSA-N 434.375 0.862 50 20 ICGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)c1ccccn1 1835699938 SKFMOLOZNXRGDT-WMZOPIPTSA-N 441.326 0.323 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837402163 DRKGFXHVXCEUMZ-SUNYJGFJSA-N 433.343 0.799 50 20 ICGD CCC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394500 CUHUSTODTZCSSP-UHFFFAOYSA-N 431.493 0.276 50 20 ICGD Cc1ocnc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838494907 ISYIHIACINSQKT-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642807 MHNHYBCPHJMRGS-SJKOYZFVSA-N 443.298 0.013 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203189 CKCNMVPJNXAMAU-RDJZCZTQSA-N 446.273 0.477 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649211 FBZFJPCFYUKFHV-HXUWFJFHSA-N 440.928 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840153007 ASKBRMXGUSMEHZ-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840155448 CDJPITGCLGKROD-PLMTUMEDSA-N 437.924 0.733 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cccn1 1840443121 XFAKOIHNNAKWCG-DVOMOZLQSA-N 433.278 0.591 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840611865 UEAHDRKWWPYDMY-QFIPXVFZSA-N 444.337 0.263 50 20 ICGD N[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(Cl)c1 1842938668 GQJTVYMGIDICFD-GOSISDBHSA-N 427.697 0.537 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2[nH]nc3ccncc23)C1 1843280541 JAAXHKYCVMJVHT-ZMOGYAJESA-N 434.460 0.909 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)[C@H]1COc2ccccc2O1 26977099 PSPOBJDNESXGTP-GOSISDBHSA-N 436.424 0.046 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)c1 104739471 OEKCVQAGTIXUFV-AWEZNQCLSA-N 435.506 0.028 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(Cl)cccc1Cl 727860792 LWEBITHQWSSSSP-LBPRGKRZSA-N 429.304 0.935 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 728607580 CKPRFTGQOJNZLW-CQSZACIVSA-N 433.552 0.352 50 20 ICGD COC(=O)c1csc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854388 UVLRPPSBYICZTP-UHFFFAOYSA-N 425.492 0.551 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(I)c(F)c1 729172219 UASHQVYKSIZIIR-QMMMGPOBSA-N 426.207 0.626 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)cc1OC 731686323 ZAHUGAKRPDVDOB-UHFFFAOYSA-N 428.511 0.757 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1OC 731906733 QMCBGCQUCFDWKF-UHFFFAOYSA-N 446.445 0.492 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 732307696 KNZGXFAGGOVDQZ-OCCSQVGLSA-N 446.323 0.599 50 20 ICGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732329270 JVTWMLLELYHVKZ-UHFFFAOYSA-N 442.450 0.105 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936214 FWDMRFUVXBSMCH-INIZCTEOSA-N 433.446 0.533 50 20 ICGD Cn1cc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 735473120 NPPQUYAZMHWUMM-UHFFFAOYSA-N 437.478 0.101 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 740853253 LWLBNTPQUMYDPP-UHFFFAOYSA-N 434.518 0.960 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c2ccccc2c1=O 742474509 QVZPXZNBYSNBNB-LJQANCHMSA-N 439.447 0.907 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1F 743820550 NABLIPSLSPBSEH-RRCSTGOVSA-N 436.465 0.704 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 751206314 DDFUSDFRWNLCRE-UHFFFAOYSA-N 434.474 0.645 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc3c2OCCO3)c1 751263296 YAUUWOIWYPMKIH-UHFFFAOYSA-N 441.487 0.331 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)o1 752781715 XSHDVKOENSTBMK-CQSZACIVSA-N 443.503 0.131 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)Cc2cc[nH]n2)nc2cc(S(N)(=O)=O)ccc21 755277473 RMXAFPKNJLOGOV-UHFFFAOYSA-N 433.494 0.140 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(F)ccc1Br 755319880 KUYMQEDZROZLSM-QMMMGPOBSA-N 448.274 0.450 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2O)n1 756311103 LMZVQVUDEQXIGO-UHFFFAOYSA-N 425.243 0.906 50 20 ICGD CCN(CC)C(=O)CN1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 756489797 XGSGALVRLXNJHO-UHFFFAOYSA-N 449.552 0.341 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)c2ccccc2c1=O 756796946 LAPALJKLEJWFDP-JOCHJYFZSA-N 435.440 0.102 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 758833904 KPNIEOLCFVIQCY-QLFBSQMISA-N 427.461 0.533 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN1CCNC1=O 763572294 QHUZAXOQUCCBTI-KRWDZBQOSA-N 439.428 0.138 50 20 ICGD CCCn1nccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763737930 QURROZQRHBTLDI-UHFFFAOYSA-N 436.494 0.008 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 763796769 HARBRLUYLFOVQK-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1 763809944 WKTRCBIFWLSTNA-UHFFFAOYSA-N 434.474 0.556 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cccc1C(=O)N1CCOCC1 763918504 FYVKXMDNJZMPTR-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764126417 KJBQSFMCEITDMS-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764127084 SYMUQXKMVRBICC-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cn2)C[C@@H](C)O1 764188111 MBZGUOZWMGHDPZ-ZIAGYGMSSA-N 434.497 0.185 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764350611 GOTRRQNZIGZACD-UHFFFAOYSA-N 435.379 0.387 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1CSCC1=O 765752282 QCJQEPZGFWWKFI-UHFFFAOYSA-N 425.942 0.138 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)c1 768270169 WHITUXZBXICZIP-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1OC 770973676 OQGOGXMKBCAMRM-UHFFFAOYSA-N 449.493 0.865 50 20 ICGD CCc1nc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)co1 773390870 LZUINXVFJABWDU-UHFFFAOYSA-N 435.506 0.313 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnc2scc(C)n2c1=O 776338378 JQHGSTXQQHHCSC-UHFFFAOYSA-N 434.503 0.741 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nnn1-c1ccc2c(c1)OCCO2 778440441 GVSCQNVGFMKGTC-UHFFFAOYSA-N 432.437 0.633 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1cc(C)ccn1 784002206 AUVWBIQHPRGNES-UHFFFAOYSA-N 427.465 0.237 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 789742213 FFZBHPHGVFRGRR-HNAYVOBHSA-N 435.502 0.558 50 20 ICGD C[C@@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)NS(=O)(=O)c1cccnc1Cl 792853921 HLKRBLYMIYKBBA-NWDGAFQWSA-N 438.959 0.284 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cnn1C 793348649 AYTAHCDZKKSSOM-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C 796998156 ASSQXNYBHBKKIT-SNVBAGLBSA-N 433.490 0.951 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 799859476 HYVAYQANIZHAFI-BXKDBHETSA-N 435.300 0.320 50 20 ICGD CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NNC(=O)Cc3cccnc3)C2)CC1 805068087 DQHKNBJHCBYSKS-KRWDZBQOSA-N 432.525 0.992 50 20 ICGD CN(C)c1c(C=NNC(=O)c2ccc(F)cc2Br)c(=O)n(C)c(=O)n1C 807964743 UHHVLFPXDYSPSR-UHFFFAOYSA-N 426.246 0.816 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 812882831 NEKTZKPHYYGAAN-OAHLLOKOSA-N 441.467 0.968 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=C1CC(C(=O)O)C1)N(S(C)(=O)=O)CC2 814758401 AIPJYIWUQJJNOX-WPZCJLIBSA-N 439.490 0.920 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)ccn1 815778572 XSGUYUZGAHXTMC-MRXNPFEDSA-N 427.417 0.498 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)n1 825419864 MIGPYIQGTNRGIE-UHFFFAOYSA-N 445.457 0.050 50 20 ICGD Cn1c(=O)n(CCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 828770710 DYYXWOXCBGNOIC-UHFFFAOYSA-N 441.400 0.643 50 20 ICGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915165966 SFOVOQAUJBULDN-YVLHZVERSA-N 444.448 0.983 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Cl)ccc2OC(F)F)c(=O)n(C)c1=O 915958606 NAERGQMIIOQFNE-UHFFFAOYSA-N 433.824 0.976 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(NS(C)(=O)=O)c1 918087538 UDVDIFBFJHFXSG-GFCCVEGCSA-N 444.477 0.739 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CC(F)(F)F)n2C 918364049 ICTQSERKZOSJKZ-UHFFFAOYSA-N 435.428 0.856 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2c1 1777995030 WVIVWZCGYQMRDG-QRWLVFNGSA-N 434.880 0.046 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1779031806 GLQSIRMZEYCZQN-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncs1)C2 1779371020 GWAFRICPODBACZ-OXQOHEQNSA-N 444.517 0.583 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780814907 CPLTVJZXXUGZMM-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1782175086 DDAAQXQOSZJRQF-QMTMVMCOSA-N 440.884 0.556 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782179968 PEUBODMYBSREEY-BYJOMCJTSA-N 435.550 0.953 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782651389 JAXGSOBQNLYWOV-UZUQRXQVSA-N 437.305 0.084 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783342485 JCJRHWZPQBVBQK-UGSOOPFHSA-N 442.310 0.305 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783765538 POYCLVRRPNIGEA-STXHMFSFSA-N 445.944 0.885 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932772 DZTCCKQJTWQOBT-OAQYLSRUSA-N 433.509 0.297 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1783936068 CANCLWHWAVCRHJ-GOSISDBHSA-N 428.436 0.574 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1785684265 IMJSRRMVTJDCNS-MZGVZZPPSA-N 447.916 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccoc3Cl)[C@H]2C1 1789419829 HYHDBKNGEVBMGH-QEJZJMRPSA-N 426.901 0.899 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1nc2c(=O)[nH]c3ccccc3n2n1 1793112207 JHADRDITOQYKPU-NWJSVONSSA-N 444.879 0.422 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)c(=O)[nH]c1C 1794312156 DMJZNBSABDZHAR-WRSRJMLGSA-N 427.299 0.373 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369576 SPMFMOWVQWXKPE-ORXSELOVSA-N 427.255 0.161 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc2c1OCCO2 1796189097 VYLBMFQUSQZPOP-BCDXTJNWSA-N 436.273 0.703 50 20 ICGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797749502 BRQWZQDLJVFXCK-YWVIFJGQSA-N 444.517 0.275 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1ccccc1C(=O)OCCO 1798568079 VHVNHXAQJCLPOT-JJLQDPRZSA-N 445.299 0.843 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363108 YGKXATJLLFOOHM-FPOVZHCZSA-N 446.272 0.028 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2[C@H]3SC=C[C@H]32)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367559 SLQKVMVDNLOFEA-URZNZNTCSA-N 449.341 0.956 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807370914 NBKNXCQVEWZCQE-UWJYYQICSA-N 447.304 0.680 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807851036 AKTDKVCILLQKQO-QXCFHYIPSA-N 437.972 0.323 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C1(O)CCC1 1809967479 JILARXZCHXDIBC-KRWDZBQOSA-N 428.338 0.762 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1810422049 GHHHMEHHGFKWIR-JTSKRJEESA-N 441.536 0.735 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811486359 NDNBUDLIUBJIMC-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813577210 PUEVZJXRWBYFTD-VYDXJSESSA-N 431.942 0.776 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815053408 JYMPDANDXGEELK-KXUCPTDWSA-N 446.371 0.679 50 20 ICGD Cn1cncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401837 BUNKXSFJRQGKNS-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401984 ZNNJFUCKENUYCM-NVXWUHKLSA-N 429.481 0.731 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1825993732 DWWYGHQAMGZZRA-NXEZZACHSA-N 427.914 0.917 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059367 NGBMTRUJQHXUSG-IIBYNOLFSA-N 443.353 0.467 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059669 SNKSABZTPDDMNN-RTBURBONSA-N 444.341 0.047 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731333 KQBYLNCJALSXFT-UZLBHIALSA-N 434.880 0.300 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1830738270 NHBDVILUQKEOFZ-MMOPVJDHSA-N 438.908 0.436 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738667 RUBVJZUVTAEEGQ-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833979211 BYXLOBAFSRMYKI-DYVFJYSZSA-N 427.299 0.720 50 20 ICGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Br)CC2)CC1)C(=O)O 1834739446 APFYKOZFQXQLLU-SWLSCSKDSA-N 447.374 0.404 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834823137 KLDBXCJWUYNJCD-BAOGCXAUSA-N 445.358 0.700 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835760118 XNMPLIOVCGQVJL-LJQANCHMSA-N 445.004 0.474 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837376406 YZOOVBXCJJHRAB-KUHUBIRLSA-N 432.949 0.415 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837566802 NAKQNYSEPUPBGS-KBQLTHKRSA-N 446.273 0.845 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(C)C 1837715268 GHWLLDRLAJXIQO-ICSRJNTNSA-N 444.601 0.882 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1)C(=O)O 1837886601 OIGCJBSVOSKCJP-CVEARBPZSA-N 433.933 0.302 50 20 ICGD O=C([C@@H](F)Br)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620321 GKLCXPXIOYJRSL-TUKIKUTGSA-N 436.322 0.398 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839145818 QYDDCSVVLBIOGF-KBXCAEBGSA-N 426.857 0.262 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839357244 FKYFGRSBVQMXLY-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1840029342 AYSLPFMDKYBLLT-JKIFEVAISA-N 433.343 0.777 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031566 UNGZSPYHANBJOI-DIFFPNOSSA-N 447.305 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840151441 BJEXFMBMOXKBPV-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840152493 JTWJWIVOACFGGW-QRWLVFNGSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840153485 PRLMZNHDOLEGPD-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845402933 KVAOTEIXQPALAO-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cn1 1848339620 HZHIPHXUXPZMID-IRXDYDNUSA-N 425.493 0.766 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C 22410640 IJTAZYVCBPHCOY-UHFFFAOYSA-N 443.503 0.753 50 20 ICGD CCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC(F)F 730571238 OWIULTDWCKBSCP-UHFFFAOYSA-N 443.432 0.722 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3O)cc2S1(=O)=O 730780272 SJDJMHSKQFCOHA-UHFFFAOYSA-N 449.441 0.023 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1)S(C)(=O)=O 732256650 KCPGUKYBQILEMH-KRWDZBQOSA-N 434.474 0.753 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cnn(-c2ccccc2)c1 733108487 LFNASJOZUPGVPD-UHFFFAOYSA-N 444.451 0.705 50 20 ICGD CCOCCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 734682487 AXTXLEPOEMHGQW-YJBOKZPZSA-N 430.513 0.743 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 735510282 LAUZQQZBBCZCME-HNNXBMFYSA-N 436.494 0.022 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)COCc3ccccc3)cnc21 737628675 BGZCEVDULJQISD-UHFFFAOYSA-N 449.265 0.257 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)CCOc2ccc(F)cc2)c1 742025838 RYFBDLASKLRLPJ-UHFFFAOYSA-N 445.494 0.719 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 745862127 GWMZWFHKORRYQW-OAHLLOKOSA-N 429.525 0.151 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1=O 747787926 YXXPFUZBQDIEFR-HXUWFJFHSA-N 447.495 0.322 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1C 750662988 JAIWNUOOUZBMCJ-CQSZACIVSA-N 437.522 0.629 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 751201061 ZCQYEFFGHOZQAU-UHFFFAOYSA-N 444.263 0.637 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755353516 JPUORSBOLOMGKZ-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)co1 755903002 LDYWHFWBCJOCTN-UHFFFAOYSA-N 445.498 0.531 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 756089335 DPRRJVVCRIUAPM-STQMWFEESA-N 425.511 0.792 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 758025045 IZNILGZPIOXGOS-JSGCOSHPSA-N 428.511 0.728 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 758035977 PBEAMHICFTURSD-MELADBBJSA-N 434.559 0.745 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3)cc2)CC1 763424582 CFWPWIPRIYIWIX-UHFFFAOYSA-N 437.500 0.793 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763660378 BCUGNFUAXKTJRX-UHFFFAOYSA-N 430.417 0.445 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763713326 NIFMCEPYIRHXKY-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c3cccnc3)cc12 763819977 IHJMTPCDPXJXSY-NSHDSACASA-N 443.489 0.034 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1C 763839944 NWRIIPZKGQZBSB-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1Br 764003103 YKCRSRDCCWKFBR-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2)C[C@@H](C)O1 764144457 WZGMASQVDXSXRC-BETUJISGSA-N 438.506 0.371 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 764400527 QDVHIHWHKQCEPQ-JTQLQIEISA-N 444.370 0.424 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C1 764423963 DXVJLBCJBRWQMP-CKEIUWERSA-N 432.477 0.306 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 764423992 FIAIWJDZFYECDJ-HNNXBMFYSA-N 446.439 0.312 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 765533823 HYITYIMUFGBZDA-AWEZNQCLSA-N 438.469 0.872 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766649768 JZYPWWQPQNYJSJ-UHFFFAOYSA-N 438.550 0.197 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1C 768263348 QFIAUDKLKVMRLH-CYBMUJFWSA-N 445.505 0.555 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 771416997 VOUYZLGAOOELGH-QGZVFWFLSA-N 447.536 0.895 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 771846124 OBFOBZPFJYHZJR-ZDUSSCGKSA-N 441.506 0.585 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 773478160 JFUJMWZUEQHOOO-UHFFFAOYSA-N 447.521 0.111 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1F 782896179 BWPCBGLXWVLXRP-UHFFFAOYSA-N 437.453 0.917 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccccc3Br)cn2)CCN1 782983893 RGTIDGGWXZGUMF-UHFFFAOYSA-N 433.266 0.862 50 20 ICGD Cc1cc(F)ccc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 783445938 BUBVGLGVJKEEHC-UHFFFAOYSA-N 449.464 0.336 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccc(F)cc3)c2)CC1 784783432 CMBVUQJMHITXTP-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1=S=C2CC[C@@H](C)CC2=C1 786413614 CWYUGMWLWJLFAR-SNVBAGLBSA-N 433.490 0.521 50 20 ICGD CCC(O)(CC)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788324855 ZSRUZGSPBPCRET-UHFFFAOYSA-N 442.538 0.593 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 789872127 XGWQSWWDULPGFQ-JTQLQIEISA-N 444.819 0.452 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N(C)CC(F)(F)F 793683159 RGMNSMDIWVGOLR-AWEZNQCLSA-N 429.443 0.474 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 794081605 KJCVYGSMWCMXQJ-MRXNPFEDSA-N 433.446 0.913 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc(Br)cc1[N+](=O)[O-] 797537254 FQMAJZXJKYETBI-UHFFFAOYSA-N 428.199 0.030 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 801005273 AEZHWTTWTVQENN-INIZCTEOSA-N 427.461 0.574 50 20 ICGD Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cc(Br)cc1S(N)(=O)=O 802034562 RPBXWFTVFXHHHT-UHFFFAOYSA-N 428.268 0.688 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 804868449 HTYYIPGLBIFPQG-HNNXBMFYSA-N 427.469 0.287 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cn1 811954926 HHSWDCQEWSLUSG-UHFFFAOYSA-N 425.449 0.933 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C 814732120 YQASAZNLSDGUJA-UHFFFAOYSA-N 434.474 0.671 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 815571154 WQOZIXNVNVIQHY-LBPRGKRZSA-N 438.238 0.136 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054127 UPIGOEQDIGYBNK-OAHLLOKOSA-N 444.521 0.668 50 20 ICGD O=C(c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CC[C@@H](B(O)O)C1 864234860 XKEAXGVHWUFSBC-GFCCVEGCSA-N 447.116 0.159 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 875486049 VIQPGEMSJDEWOH-UHFFFAOYSA-N 432.458 0.728 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912921725 UEEZSEQQDYNBNW-GASCZTMLSA-N 426.539 0.634 50 20 ICGD COC(=O)c1ccc(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 913638551 XWNSEEGQUCGKMC-UHFFFAOYSA-N 433.490 0.953 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C 914563235 RQQXVVDFCSDPTI-UHFFFAOYSA-N 433.490 0.816 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1F 915268791 BWOHADANPSTQGE-UHFFFAOYSA-N 449.508 0.446 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3cc(C)ccn3c2=O)cc1 915638500 XTABIBCPVVZGTJ-UHFFFAOYSA-N 443.485 0.393 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 918224352 UWAFICSJABIDNS-GOSISDBHSA-N 428.445 0.824 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)o1 920248867 SELLOBVRDUFIKU-UHFFFAOYSA-N 433.490 0.621 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC(C)(C)C(N)=O)cc1 920851336 JWIIMNBDDQTMME-XNTDXEJSSA-N 438.488 0.969 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)CC(=O)N(C)C)cc1 920852631 SBTFHYKNCAQVQJ-LFIBNONCSA-N 438.488 0.888 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc2c1=O 1116306702 HUUNXAPADKRMPV-DLBZAZTESA-N 428.493 0.255 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC3CCOCC3)nc2)CC1 1318565616 ZLLOKAUNGLYDTI-UHFFFAOYSA-N 426.543 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779338978 BEDBHNDBFQFVLY-IBGZPJMESA-N 434.522 0.441 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1OC)C2 1782171014 NCRUHFMKYCSBBM-PJIJBLCYSA-N 426.901 0.867 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782604856 GPEFPUCXINZUCR-CDXJDZJCSA-N 434.924 0.836 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783435338 SIUTXUKAQALFIV-LLLHUVSDSA-N 425.869 0.717 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783965800 SGVPGZGVCYMEFV-AJNGGQMLSA-N 432.359 0.769 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404388 HMFLOGCNIBGREV-LSFZBXBFSA-N 428.327 0.610 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCOCC3)[C@H]2C1 1786610788 DMCXMKPDIOTIQI-QECDCCOMSA-N 445.520 0.527 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984331 FAACJNKZEZLNKQ-IHPCNDPISA-N 442.346 0.654 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986837 LMSJDNOABRFQDN-CAMMJAKZSA-N 432.351 0.103 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1790961938 YEOJCIYVCJINQN-FMSGJZPZSA-N 427.299 0.949 50 20 ICGD O=C(CCc1ccoc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791728498 DXOSWIGMZKJIDF-IHPCNDPISA-N 426.278 0.186 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1792867716 KCNJPIQDPYOEHP-JJAZEVLHSA-N 427.343 0.973 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794050142 AWCZQBNDYCDPKD-OPMZPASUSA-N 431.537 0.285 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754499 ZZJIZJSTTSEZOI-ZTENYAIWSA-N 441.488 0.360 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1799270078 PRZDIHLYLLARFV-YALNPMBYSA-N 443.953 0.847 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800147858 IEVJOKGWRWCNLE-QDMKHBRRSA-N 435.433 0.781 50 20 ICGD COc1cc(OC)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801011919 UQHDWUIHYQPGBX-VPTLXERWSA-N 448.520 0.280 50 20 ICGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803002694 XXEUFXJXZQMWLS-JLSDUUJJSA-N 426.477 0.171 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1813074115 PHVDFMDPSKQPNH-QXUSOGCVSA-N 439.520 0.897 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)on1 1815336731 BFVWMHUNFJMMSJ-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccns1)CC2)c1ccc(B(O)O)cc1 1815337847 WWYLXSMECCPILE-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815668355 TUQDTVFKXPITGY-ZDUSSCGKSA-N 436.545 0.805 50 20 ICGD COC(OC)C(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276204 PFIBZBYVXCGYDL-QPDIMOPTSA-N 448.505 0.808 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ncccc3F)sc2C1)c1cccc(B(O)O)c1 1820921096 XCXXPFKYJAKJNG-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CN1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)C1 1828926122 ZOCQUJHRCGZNQS-LJQANCHMSA-N 428.537 0.480 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008592 BZHRWMKRSJTCDF-DNVCBOLYSA-N 446.386 0.958 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724962 KHCSNHHJIFGDDZ-LIRRHRJNSA-N 428.938 0.907 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)CC1 1831416113 OGHGZSAUVCKQSX-YJBOKZPZSA-N 442.520 0.055 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)c(=O)[nH]c1C 1833386141 MTRDYDPETUAWSP-HXUWFJFHSA-N 440.928 0.722 50 20 ICGD O=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)c1ccco1 1834818756 DJYBXUIRAXUVMK-KRWDZBQOSA-N 429.267 0.704 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(NC(C)=O)o3)CCO2)C1 1837454585 FABZQGKYFOCTOH-LIRRHRJNSA-N 443.884 0.562 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cccn1 1839203874 ZAZHTKIYEDPQDN-XJKCOSOUSA-N 433.278 0.591 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189483 UEWVKJZGQJNCFU-GOSISDBHSA-N 442.303 0.532 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648691 YVLLFYMKTUONOJ-JXFKEZNVSA-N 439.896 0.109 50 20 ICGD O=C([C@@H]1CCCN1Cc1ccccc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012527 XEJAQTRAJUKSSE-QFIPXVFZSA-N 447.344 0.848 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844793419 PLTCHEPYDQBPEF-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccnn1C)C2)NC(=O)NCc1ccccc1 1845038539 QOKWEVZEAMGJCU-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)cc1 1847563256 NDAWQSWPCOJLEO-BZSNNMDCSA-N 437.924 0.893 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)n1 12667349 QSCJYSKLPNJPKI-UHFFFAOYSA-N 434.503 0.573 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 15025297 VAGPFCBAEBJJBQ-UHFFFAOYSA-N 435.440 0.153 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 108121271 DLFVDXDKDVKSGU-INIZCTEOSA-N 449.533 0.772 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 726241384 GENGMTHYRLJGHG-INIZCTEOSA-N 429.433 0.658 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)NC2(CCCC2)C1=O 726653118 RKLALJTVTHGDJY-LLVKDONJSA-N 436.852 0.897 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(Cl)cccc1Cl 727860791 LWEBITHQWSSSSP-GFCCVEGCSA-N 429.304 0.935 50 20 ICGD CN(CCOc1cccc(CNC(=O)NNC(=O)C(=O)NC2CC2)c1)C1CCOCC1 728134417 MGBUMUILDFOARR-UHFFFAOYSA-N 433.509 0.285 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 728850738 ZKKDXLHFBOARQQ-QZTJIDSGSA-N 438.488 0.363 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)C(C)(C)c2ccccc2)c1 731231580 UQOXTLWZVDHTBE-UHFFFAOYSA-N 446.529 0.792 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C)O1 732259251 BDUULWCLVWVFTQ-GJZGRUSLSA-N 437.522 0.139 50 20 ICGD Cn1c(NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)nc2ccccc2c1=O 733263466 CPJJDPTVKHWQPN-UHFFFAOYSA-N 443.485 0.711 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H]2CCN(CCOC)C2)c2ccccc2c1=O 739036499 WCOPZLKZQSCRCQ-HNNXBMFYSA-N 430.509 0.861 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cccnc1)N1CCOCC1)c1cccnc1 741765700 BVOIBCXUTNYGQZ-HXUWFJFHSA-N 437.504 0.948 50 20 ICGD O=C(NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1csc(N2CCOCC2)n1 742036555 LNWLUPFTDZTYIN-QGZVFWFLSA-N 449.508 0.953 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 742772614 AIADIPFMWQAZBJ-UHFFFAOYSA-N 440.275 0.783 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 744621356 QJDWMZWWSHYNBA-UHFFFAOYSA-N 434.474 0.798 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccs2)c1 744708454 JIXNWPLCONFYMJ-LBPRGKRZSA-N 425.488 0.728 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 746386171 NUXKOCZCNAAOLC-MRXNPFEDSA-N 434.493 0.036 50 20 ICGD O=C(NNS(=O)(=O)c1cncc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 749151980 NMJLXLPCAQSDJO-UHFFFAOYSA-N 428.467 0.629 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2nc3n(c(=O)c12)CCCCC3 758037029 XTIYRPDTRQYKHM-JTQLQIEISA-N 441.535 0.192 50 20 ICGD O=C(NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)C(=O)Nc1ccccn1 758828322 RSHCXDVKDOGJNY-UHFFFAOYSA-N 444.407 0.886 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1 759661051 DKLQBYNJICUWIE-UHFFFAOYSA-N 436.538 0.965 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)c(OC)c1 761266422 GODHDXCEYDEVKT-UHFFFAOYSA-N 428.492 0.865 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc(F)n1 763285613 UVCVYNNTSOTCHC-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccncc3)cc2)C1 763463866 GWJRSTGOLYSZCN-AWEZNQCLSA-N 445.501 0.902 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1Cl 763737034 WMFOLGFACIQQCP-UHFFFAOYSA-N 429.864 0.978 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 764003086 YANTXVKJSWBVNT-SSDOTTSWSA-N 425.797 0.462 50 20 ICGD O=C1CCc2cc(F)c(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2N1 764006879 VBACDBAYMKKWPY-UHFFFAOYSA-N 428.376 0.881 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 764128115 ZSDAXKBPGZMRHI-UHFFFAOYSA-N 427.396 0.529 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764131519 IAUXUUQMOYPBDU-UHFFFAOYSA-N 448.501 0.712 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1 764187809 IYKICNFWWGYRKL-UHFFFAOYSA-N 426.495 0.278 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 764204757 YOGSGBYWGGZSIP-UHFFFAOYSA-N 434.474 0.530 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764319019 ITGHURHLIBRXNK-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764358274 IFEALFLRJNAXOO-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2)cc1 765755305 OLHWMWOXQDLFJO-UHFFFAOYSA-N 448.527 0.821 50 20 ICGD CSCCNC(=S)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 770247522 NPBLRRHXPWWDLJ-UHFFFAOYSA-N 425.580 0.799 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 771904015 NMAXSDJXTPKZGJ-LBPRGKRZSA-N 426.433 0.943 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2F)C[C@@H](C)O1 784000276 XMCZKNBJUHHLQT-CHWSQXEVSA-N 435.456 0.148 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002031 JLNXLSPNGMRERT-UHFFFAOYSA-N 448.457 0.911 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(Br)ccc1F 784004192 KFSKMTWWBZMXHG-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1C 784369251 WVFDOOAVPOPEJV-UHFFFAOYSA-N 428.371 0.960 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 784915219 GPVGIOXSFDHBLV-UHFFFAOYSA-N 448.217 0.709 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 786687344 KQALYSYOTKJEEX-AWEZNQCLSA-N 427.461 0.645 50 20 ICGD CCc1nc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc1C 789731647 FDGKGKQJJUOUFO-UHFFFAOYSA-N 439.519 0.664 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc(Cl)c1F 792268469 JAKPMSPSYFDQGT-UHFFFAOYSA-N 425.804 0.865 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 792457254 XQYJOQIWWQBCSJ-UHFFFAOYSA-N 429.451 0.541 50 20 ICGD CSSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 793076914 WEYRPSKVMOEQNW-UHFFFAOYSA-N 440.590 0.571 50 20 ICGD CCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C(F)(F)F 799256957 CESWBLBSDGWAKK-LBPRGKRZSA-N 427.339 0.848 50 20 ICGD O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 800505864 OKVKGIPOUAWQJQ-OAHLLOKOSA-N 449.558 0.878 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 815751700 KPTQHEHZBWKXAZ-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD CCn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c2ccccc2c1=O 913081354 KJNVGOSRZMNETF-QGZVFWFLSA-N 447.455 0.298 50 20 ICGD O=C(NCCCN1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915880757 XTWQAXLANQGHGG-UHFFFAOYSA-N 439.538 0.137 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 920826041 OESZONFYCJLCEI-UVTDQMKNSA-N 434.518 0.469 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1116487594 HETMEOBWGOGOAP-IFXJQAMLSA-N 441.506 0.531 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1cncn1-c1ccccc1 1317913020 BRJVXZVXPGROHA-UHFFFAOYSA-N 430.424 0.905 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 1336569278 LSQIOEMLPUGYMW-AWEZNQCLSA-N 435.502 0.748 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778586661 GUBMIACUNZTAOP-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041648 JGYACBGRIXSZKD-WBMJQRKESA-N 435.388 0.474 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)n1 1779673064 YCXYOSUVNCFDOQ-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781229794 JMBIRHGLEXUJBB-JKSUJKDBSA-N 425.382 0.537 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326552 QCWVIEQFLZBJDM-MLGOLLRUSA-N 429.246 0.315 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334478 OBIBQQZYPBKLRV-DOTOQJQBSA-N 440.273 0.792 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1781855348 ZMPGFMYYMLPGDG-BFUOFWGJSA-N 433.933 0.924 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1782171672 ACIFEBVVOWILQB-RZQQEMMASA-N 425.913 0.767 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1782179811 NCBIRAMTFKCWNV-QMTMVMCOSA-N 426.901 0.011 50 20 ICGD COCc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782212376 YSDOOKQYAKYYJG-XMSQKQJNSA-N 449.552 0.662 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1783973085 RRMBFVISOQIHFF-YTFOTSKYSA-N 430.343 0.618 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785085751 XLXKSZHHUXOCIA-OAQYLSRUSA-N 448.206 0.541 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792980040 CEYLYMSYAPVFTL-LZDSYCOUSA-N 440.884 0.464 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)[C@@H](O)CCl 1792984153 ZCIZGPUKAZQVQM-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3C1)C2)c1cccc(B(O)O)c1 1795741321 UVCHUUCCNNIFAX-QXUYBEEESA-N 448.328 0.375 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440082 DEOLQFWJXPKTCM-NFUQYWTGSA-N 432.525 0.083 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(C)(=O)=O)CC1 1797707789 WQHWUMIHDPOAQJ-QKPAOTATSA-N 435.974 0.550 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2 1797750431 CEXFFSJSCAHVLE-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797924274 MCFRBSOYPBRZSK-YMSVYLFOSA-N 432.359 0.912 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2[nH]ncc2c1 1797999145 OFXCTYSGXKMKCP-QDMKHBRRSA-N 434.460 0.522 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443512 DJWLDRCWTRLCKQ-LVQVYYBASA-N 438.488 0.799 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1799272301 LQSYQURMBAZHKS-ZWUHOBOKSA-N 426.857 0.364 50 20 ICGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806761996 MQCSUOPJNKDNDV-LAUBAEHRSA-N 435.525 0.123 50 20 ICGD O=C(CNCP(=O)(O)O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1807027993 FZWRCAFMYIQZKK-YPMHNXCESA-N 439.236 0.616 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807320108 NNNDQDJNRCCNBI-UGKGYDQZSA-N 438.337 0.469 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)COC1 1807374455 ZQHLNLMXTDEEQK-QUCCMNQESA-N 437.305 0.508 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808682233 AMPJBSIHFXCQME-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD Nc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)cs1 1815123877 OMGUWRKCPALNDL-LLVKDONJSA-N 443.319 0.401 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCc3cncnc3)sc2C1 1815539367 HQLFBEBMSQEIBS-AWEZNQCLSA-N 445.549 0.851 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1)c1ccc(B(O)O)cc1 1817470092 IHRNJSUEIXPCBK-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD O=C(c1cc(CO)on1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056087 AUNPCDXDDRYTBM-FQEVSTJZSA-N 441.293 0.394 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1830543312 PQSQWIUWICRSRV-SUNYJGFJSA-N 446.342 0.095 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830543340 QHTAUUCPTUIQCC-KBXCAEBGSA-N 442.310 0.421 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722589 FFVPRWGDPOAVGM-LPHOPBHVSA-N 431.316 0.939 50 20 ICGD Cc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830724667 ALXPABFZMKVXFG-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735405 HLLYQQZIIKPGPC-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1832006032 YQKYIFFKLJDHSN-AXHMDWHKSA-N 446.928 0.022 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832193937 KTIDLAWRMNJJEY-SFHVURJKSA-N 446.552 0.848 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123196 BHBSHCVANOPJRH-MAUKXSAKSA-N 441.326 0.649 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833474720 PDUUUDIREIYXRD-IBGZPJMESA-N 439.541 0.007 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834774985 KLNXWTPMLFETLG-YMBFEGSUSA-N 437.262 0.253 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826405 OXNVUGJITMVCMT-KSSFIOAISA-N 443.342 0.994 50 20 ICGD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1835554601 PNCOJTOQYWSDMO-LPHOPBHVSA-N 440.338 0.408 50 20 ICGD CO/C=C(\C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835662640 ZOOBFMZAQVDUQQ-FOCLMDBBSA-N 429.326 0.102 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836448289 XSJOFJFRMHVPIB-FOIQADDNSA-N 436.896 0.887 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839146370 YCIQJIFSCRXCAD-IAQYHMDHSA-N 430.807 0.566 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839149446 HAWHQZWMRXPEIR-SJCJKPOMSA-N 449.982 0.321 50 20 ICGD Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc2n1 1839503871 YKZCYYLIWWMSFV-YLJYHZDGSA-N 436.896 0.243 50 20 ICGD O=C(c1n[nH]cc1I)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841352131 XUMZYYNAWXKKCV-SECBINFHSA-N 438.653 0.431 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2nnc3ccccc32)C1 1841815669 JZPPUOAUIXGHJP-BUVRLJJBSA-N 448.487 0.769 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1843820943 DCTXUGLLBJXUTI-QLFBSQMISA-N 445.944 0.407 50 20 ICGD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1 1844265473 HLBRLCWXGGLPLJ-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c2)c(C)c1 725898006 FBLYYZRTBJVMQE-ZDUSSCGKSA-N 433.490 0.922 50 20 ICGD O=C(CN1CCSC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727870013 QZJGQCQJXAMYAR-UHFFFAOYSA-N 426.520 0.791 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 727870081 ZXTQZJPDQBXPQK-GOSISDBHSA-N 431.470 0.472 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(C(=O)OC)o2)c2ccccc2c1=O 730766015 UQQVKULPDFIAKN-UHFFFAOYSA-N 434.430 0.809 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1OC 730827338 IOTBDFQYDZPCEB-UHFFFAOYSA-N 449.508 0.509 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C2=O 734239926 ZXUPFJCCRMKWIZ-LBPRGKRZSA-N 433.465 0.835 50 20 ICGD O=C(COC(=O)c1ccc(Br)nc1)NNC(=O)[C@H]1COc2ccccc2O1 747002778 SLHUXEYISAFLMA-CYBMUJFWSA-N 436.218 0.988 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccncc2)cc1OCC 747428435 MKOJMWPQNTZIDC-UHFFFAOYSA-N 436.490 0.547 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 750274537 GAMTVAFZWGRXIO-INIZCTEOSA-N 427.461 0.574 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c1 751202262 QIKHVZLZLTZKLR-HNNXBMFYSA-N 444.444 0.479 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 751426755 UVIRBZVDOKZCNG-GASCZTMLSA-N 426.539 0.174 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 753790718 XLCPBIIIIKVDPX-MRXNPFEDSA-N 446.957 0.473 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)c1 755990287 CHTZVOWMQGYCRZ-UHFFFAOYSA-N 425.405 0.558 50 20 ICGD CN(N=Cc1nc2c(c(O)nc(=O)n2C)n1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758139434 VHRZAWZBBQKDSF-UHFFFAOYSA-N 448.484 0.311 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 758747639 VOYDFQGNXOFZGR-HNNXBMFYSA-N 429.502 0.857 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 763525767 FRYZRTUPYYNROT-UHFFFAOYSA-N 428.426 0.987 50 20 ICGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763559995 YHJCDHYQXAYCSL-UHFFFAOYSA-N 442.428 0.916 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1 763669393 XBWUKYNRQKZRQM-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1 763775934 ZIRUNIDOMOGOOO-UHFFFAOYSA-N 430.417 0.358 50 20 ICGD CCOC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763922255 UIWOOPGDXMJHRJ-UHFFFAOYSA-N 429.418 0.300 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 763930593 BBRZAMJPEGFBRV-INIZCTEOSA-N 430.848 0.570 50 20 ICGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763997340 JVTNFFMAZIVSTR-SECBINFHSA-N 431.492 0.008 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764162752 FVJYEECWWNHASM-QGZVFWFLSA-N 436.424 0.425 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCCc1ccccc1)CC2 764228243 WLOSMWMKQVYFSX-UHFFFAOYSA-N 444.513 0.654 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)ccc1F 764367088 ITOILHFRGCIDSK-UHFFFAOYSA-N 427.396 0.413 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)ccc21 764405096 PJQHBWLZUUNRGD-UHFFFAOYSA-N 429.458 0.461 50 20 ICGD Cn1c(NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)nc2ccccc2c1=O 765540829 SDDFEUPLIGDTSS-UHFFFAOYSA-N 436.476 0.296 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 776066038 WJWCXXOVZADTQL-OAHLLOKOSA-N 440.522 0.957 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCC(=O)N1CCOCC1 776316506 MAOCKJCCOPMBGE-LLVKDONJSA-N 429.271 0.406 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 779898011 FSVQHROATZISMI-FQEVSTJZSA-N 430.417 0.242 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 781955893 BLIHWZRDNOGFCZ-WBVHZDCISA-N 448.888 0.797 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)c2)CC1 782120460 FMTHVVIFRASVPK-UHFFFAOYSA-N 427.461 0.965 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785061467 XHZOLACNEJJWOH-UHFFFAOYSA-N 436.428 0.560 50 20 ICGD O=C1C[C@@H](c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)c2)CN1 789811080 UHTFJVHZYCXWGR-KPFFTGBYSA-N 436.468 0.949 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 793749876 RAWTZJNNKACVTE-UHFFFAOYSA-N 442.538 0.932 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 799860176 XOZXLUDWLYEAKY-MFKMUULPSA-N 449.327 0.710 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 812545889 HNOQCZADNBTEQS-UHFFFAOYSA-N 439.475 0.758 50 20 ICGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc(OC(F)F)c1 812882165 CVXMXZYPQNGUDB-LBPRGKRZSA-N 448.448 0.268 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1)C(F)(F)F 815692565 UYCINVOWKNXYHN-QWRGUYRKSA-N 440.382 0.956 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 831100644 ZYEKPECZKIIRDU-UHFFFAOYSA-N 425.850 0.623 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 913455263 WNNUYLIHFGZIMK-UHFFFAOYSA-N 430.442 0.266 50 20 ICGD CCc1ncncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916033118 NKHMXWYZVQRILA-UHFFFAOYSA-N 447.517 0.454 50 20 ICGD CCN1C(=O)C(=NNC(=O)C(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 916265981 BLVTYIZSGPDMPD-UHFFFAOYSA-N 432.440 0.760 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC2=O)cc1OC 918707280 OQGVKTPQNPPCRE-LBPRGKRZSA-N 432.399 0.988 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 919884698 KLPGLXJHMXWJTD-LXXRFIIISA-N 434.518 0.456 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1322478363 CMKHCICKOIKNLW-UHFFFAOYSA-N 432.506 0.627 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 1777860686 UOVSFFLWHCECID-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD COc1cscc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030209 JXIPBWGYEQDVOS-HXUWFJFHSA-N 445.501 0.513 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC=CCC1 1779033729 CIOCHQCSAKOOKI-YADHBBJMSA-N 427.505 0.875 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779299704 XXEQMKFOWGMGFE-KKSFZXQISA-N 448.596 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779408214 CIQSQTYGHPHTPT-GQBLCDNYSA-N 440.460 0.365 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664025 HJOQMCMXGRHSBD-DYVFJYSZSA-N 427.299 0.247 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1782866868 DWTOLFPARSXCOI-JUALLIRVSA-N 442.426 0.993 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1783534085 PJBVIVIRTOQRBG-GDZNZVCISA-N 426.315 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1cnn3C)CCO2 1783934936 NFMZYYSFZPABPF-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD CCc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1Cl 1784086004 BIXFKBIBHDTHLX-VTPLQMEGSA-N 433.336 0.829 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C(C)(C)C)nn3)[C@H]2C1 1789356617 CWXNHVBTHAKWIV-AYDFFVQHSA-N 427.933 0.880 50 20 ICGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791307561 NUDXXPZSPPZEJQ-VLJOUNFMSA-N 427.336 0.771 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1792873997 IKOPFEKQVGLZIO-BPKGMFCQSA-N 445.402 0.243 50 20 ICGD CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1793379215 SEYYNZICYLMFJV-FCGDIQPGSA-N 429.326 0.169 50 20 ICGD COc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n1 1794286914 XINZKBFLUCVDRP-ACDBMABISA-N 437.305 0.655 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1C 1794732170 NTZPGUSCCHDZFE-QRUVTEGNSA-N 427.461 0.925 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)[C@H]1SC(=N)NC1=O 1795112344 ALJYVZXFBBWXBF-UWHIDBLNSA-N 447.355 0.163 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795547415 DFCBLJVPQOXDKD-RDHVDBPRSA-N 432.525 0.083 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357303 UGGKEGNXVGJIPP-UCSBCBTLSA-N 430.292 0.015 50 20 ICGD Cc1noc(C)c1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440543 AAURCFDJEAGYIE-QDMKHBRRSA-N 426.477 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3ccnn13)C2 1798442828 IHDVYJJDQJEIJW-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1800641402 ANAYKKOCBMSUOC-NIFZNCRKSA-N 428.331 0.677 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc2c[nH]nc12 1801012892 LYJMLQRUFCWWOK-UPHUGPLXSA-N 442.520 0.448 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)no1 1802332580 DRNZJVYMIHQLFS-QDMKHBRRSA-N 434.497 0.323 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)C1 1805381926 DCLKBNVAHCPBEF-KGLIPLIRSA-N 431.375 0.841 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808822600 VRHUWIKMPYCXMZ-AWEZNQCLSA-N 437.928 0.725 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343999 BBMKJRLDBHXEID-RHSMWYFYSA-N 443.334 0.622 50 20 ICGD C/C(=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)O 1815362027 YXILKAZKAHZKMT-PGJNLMOESA-N 429.263 0.080 50 20 ICGD CC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817276157 NFKOBTDARBCPHC-RRHPJGDISA-N 432.506 0.960 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](F)Cl)CC3)CC1 1818895087 LEOCFWKQZKPSJE-NHYWBVRUSA-N 431.921 0.754 50 20 ICGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1823836819 YSSGXAYXDHMOEO-AZUAARDMSA-N 441.337 0.126 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cnn2c1OCCC2 1823994402 GYEHELXZRDXLCT-JOYOIKCWSA-N 425.898 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc[n+]([O-])c1)CC2 1826080410 JFHNPCNDYGOCRZ-CYBMUJFWSA-N 432.506 0.375 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057527 HSJTZRKNMJRWKJ-OXJNMPFZSA-N 441.337 0.290 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1830534905 DPQCHBPUWABIPA-KSSFIOAISA-N 441.326 0.507 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830543342 QHTAUUCPTUIQCC-KDOFPFPSSA-N 442.310 0.421 50 20 ICGD CCOc1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730746 DHWHBRUBHWYSKO-UZLBHIALSA-N 426.897 0.755 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166442 GLNZFDVGSQMVTN-LSDHHAIUSA-N 431.917 0.403 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H](F)Cl 1835080206 LXTJKIVVZHEJIJ-QGZVFWFLSA-N 425.697 0.086 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971897 KHAQTRQWMUIARI-KUHUBIRLSA-N 426.901 0.753 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837076711 LPRMSMSIDXJCKC-OAHLLOKOSA-N 428.917 0.554 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837320124 QMYOIDXBJISUOF-ZDUSSCGKSA-N 437.198 0.352 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837370640 RJTFYJZBEABZDY-GUYCJALGSA-N 446.266 0.987 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839686932 ZSHIPOWAVICLDI-ZBEGNZNMSA-N 427.281 0.808 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1840029343 AYSLPFMDKYBLLT-KEYYUXOJSA-N 433.343 0.777 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840033911 UPVZVBUSVVGDMN-AUOONRHXSA-N 444.326 0.061 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840034294 HKFYNZMTDJJIJL-SUMWQHHRSA-N 428.283 0.173 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840036560 OAVKGVZIXTZFEO-YRBFXIGRSA-N 433.343 0.777 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1840151008 UQPCQKKQLUWJJZ-PXNSSMCTSA-N 425.913 0.643 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595886 KPROKYURJNSERE-RDTXWAMCSA-N 433.343 0.921 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2cnc3ccccn23)C1 1841324260 CUWHTLBCBQMFIX-UHFFFAOYSA-N 433.472 0.393 50 20 ICGD O=C([C@@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010540 ZMIYFNGDLXHRPB-RTWAWAEBSA-N 434.301 0.479 50 20 ICGD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1[N+](=O)[O-] 1843014487 PPEAAXKEKCMHHO-UHFFFAOYSA-N 437.261 0.643 50 20 ICGD COC1(CC(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CN(C(=O)OC(C)(C)C)C1 1843846691 GFIOQADLHWARLS-AWEZNQCLSA-N 445.944 0.816 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1844333069 JPYAKMWLLZHHKR-CMPLNLGQSA-N 428.262 0.489 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038806 VRUPUSKPYOMMPM-YLJYHZDGSA-N 444.580 0.909 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 17197888 MMSXGQASOOYKGV-UHFFFAOYSA-N 443.485 0.960 50 20 ICGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)c1ccc(-n2cnnn2)cc1 726523096 IUEHWTUNNIRNKR-UHFFFAOYSA-N 432.400 0.508 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1c(Cl)cccc1Cl 727804781 QGKAQOWHCAFZSM-UWVGGRQHSA-N 434.301 0.790 50 20 ICGD COc1cc(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1OC 728854226 PFMAKJWTMFEEDW-UHFFFAOYSA-N 439.469 0.859 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1csc(N2CCOCC2)n1 731343108 FWEPBTHRLBBGST-UHFFFAOYSA-N 436.515 0.747 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N(C)C)c2ccccc2c1=O 732053856 YNEHKPZBOSHDMR-UHFFFAOYSA-N 449.514 0.803 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)cc1Br 735427209 XRYBLQPFUWFFEC-SECBINFHSA-N 445.270 0.970 50 20 ICGD Cc1cc(Br)c2c(c1)C(=NNC(=O)CSc1nnc(O)nc1O)C(=O)N2 735613188 VGFCIEKAAQKTFX-UHFFFAOYSA-N 439.251 0.918 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)c1O 735688144 RWJMGALNIHYANB-UHFFFAOYSA-N 426.429 0.501 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737767324 VUDCFTCGPWKCHE-UHFFFAOYSA-N 436.402 0.405 50 20 ICGD O=C(CN1CCN(S(=O)(=O)Cc2ccon2)CC1)NNC(=O)c1ccccc1Cl 744414360 FNNMXZBITCAWKB-UHFFFAOYSA-N 441.897 0.237 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1 744455501 ZGNVWBLJXZTJJQ-UHFFFAOYSA-N 433.486 0.895 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)[C@H]1COCCO1 744642628 RJXSGJZHWFYOSY-ZIAGYGMSSA-N 426.451 0.009 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)C(C)(C)C)nc1 745894743 JGNMOYZAEHZDEZ-UHFFFAOYSA-N 435.572 0.952 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 745905869 NZDGWOMWBYHEFD-LBPRGKRZSA-N 431.409 0.151 50 20 ICGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 746093972 WEQNBGDFGKKWAK-UHFFFAOYSA-N 448.567 0.150 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2)CCN1 746701390 NDDVTUKMYDBJQS-UHFFFAOYSA-N 428.392 0.981 50 20 ICGD CCn1c(CCC(=O)NNc2nccn(C)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 747941712 MSCRDPMPVNHQPH-UHFFFAOYSA-N 447.521 0.476 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccccc1C(=O)N1CCOCC1 755624519 VDNAOJDRJCJUFS-UHFFFAOYSA-N 436.432 0.601 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cncc(N3CCOCC3)c2)ccc1Cl 756868771 XWXCLPIZQXBBNL-UHFFFAOYSA-N 439.881 0.294 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1ccc(C(N)=O)nn1 757404236 NDZBUXJLQVGHJN-LBPRGKRZSA-N 442.498 0.258 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 757764491 SPQYUEVNWBFUNH-JTQLQIEISA-N 434.806 0.942 50 20 ICGD Cc1sc2ncc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c(=O)n2c1C 758514092 YWTNWSQFTNTSBV-UHFFFAOYSA-N 449.352 0.813 50 20 ICGD COC(=O)c1ccc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 759730228 FMRPNFBJPYYEKI-UHFFFAOYSA-N 448.501 0.965 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)nc1I 761153986 CJJJBZHMDFZGED-UHFFFAOYSA-N 444.185 0.479 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Br)c1 761949497 IJZUYVLDSJFVIO-LURJTMIESA-N 434.721 0.350 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 763014368 UYGOMCVDTMQBMF-AWEZNQCLSA-N 448.501 0.296 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1C(N)=O 763595646 AHSPQUMGDZIWCK-UHFFFAOYSA-N 443.460 0.786 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 763622982 BDZLBXBDZCONHQ-UHFFFAOYSA-N 438.440 0.809 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 763645371 VKFCMLGLISGLHK-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2F)CC1 763682800 OQAZIHWLULLUSX-UHFFFAOYSA-N 432.456 0.844 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)c(F)cc2F)c1 763718007 FRLJYCRTCPVOEF-UHFFFAOYSA-N 444.391 0.754 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C#N 763789833 FQGBGCJQHNFACW-UHFFFAOYSA-N 448.439 0.992 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)nn2CCC#N)cc1 763871552 GFIYKACOZSUTHU-AWEZNQCLSA-N 426.433 0.861 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)CCSc1ccc(F)cc1 763895060 KPWKMWRYBXMVCB-UHFFFAOYSA-N 436.469 0.959 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)cc1 763896687 RNVIRIUPSZXYMW-UHFFFAOYSA-N 436.515 0.781 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764152831 GTRUIJSIDCVVHG-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 764285828 NAADIXCZZKNZNW-UHFFFAOYSA-N 432.440 0.941 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2C1=O 764350607 GOSWGKJRQZPWND-UHFFFAOYSA-N 432.396 0.498 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 764366637 ODYBGDCYALGCEH-UHFFFAOYSA-N 435.440 0.594 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnn(-c2ccccc2Br)c1 764433865 OIAUDBSZZRXRGH-ZDUSSCGKSA-N 438.238 0.136 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCn2cnc3ccccc3c2=O)c2ccccc2c1=O 765863331 NGEHAUOIQQOBLP-UHFFFAOYSA-N 432.440 0.978 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2ccncc2)CC1)c1csc(N2CCOCC2)n1 767186711 AEXGHDOZNLJAQC-UHFFFAOYSA-N 431.522 0.547 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(C)(C)C(N)=O)c2)cc1 767403542 OVYIVTFWGDBBMD-UHFFFAOYSA-N 434.474 0.769 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)nnc3C)CC2)cc1 767737055 AHLQDIWQBXBQCF-UHFFFAOYSA-N 446.533 0.169 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 771939816 OKJTWQHANXCZQD-ZDUSSCGKSA-N 442.490 0.747 50 20 ICGD CCn1nccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 775767183 LPXPIMPKZVFVMB-UHFFFAOYSA-N 435.506 0.318 50 20 ICGD O=C(NNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCN(c2ncccn2)CC1 781645295 FMSGATMHNAMSHB-QGZVFWFLSA-N 439.432 0.942 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)c2)CC1 782120749 HBMHUPJHZXPANF-UHFFFAOYSA-N 441.488 0.960 50 20 ICGD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004274 DQHSUHKWPUEEHQ-UHFFFAOYSA-N 438.849 0.704 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1C(=O)NC(C)C 784004376 MFEWXJRGTGJGKO-UHFFFAOYSA-N 429.433 0.242 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c2ncccc12 784004822 VZLOVCYVTMJUBB-UHFFFAOYSA-N 425.401 0.742 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 788166522 PFKKNCLLRHDGSD-UHFFFAOYSA-N 444.945 0.124 50 20 ICGD O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)c1cccc(S(=O)(=O)N2CCOCC2)c1 788727186 RPDYBHFFCBZCOI-QGZVFWFLSA-N 446.485 0.488 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2)CC1 790803484 JVOSYJDPPFJYHQ-IBGZPJMESA-N 444.517 0.654 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(F)c(Cl)c1F 793450432 MGVOTNUCQORYNV-ZCFIWIBFSA-N 435.796 0.480 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nccnc2C2CCC2)c1 805470439 QKZXUZYJAQPMST-UHFFFAOYSA-N 432.506 0.868 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCC23OCCO3)CC1 806872839 OOTNHZLDVBXCNT-AWEZNQCLSA-N 425.511 0.004 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc3ncc(I)n3c2)CC1 807380153 QEUVKNJDZPJZNU-UHFFFAOYSA-N 428.234 0.541 50 20 ICGD COc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl 815692244 NAXIQLWMGNGLNQ-MRVPVSSYSA-N 427.248 0.942 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 916109921 OUQNFKUSRCVMPT-UHFFFAOYSA-N 435.458 0.452 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)ccc1Cl 916566784 GHBOUUIZVKHVBE-UHFFFAOYSA-N 431.879 0.546 50 20 ICGD O=C(NNC(=O)C1=Cc2cc(Br)ccc2OC1)N[C@@H]1CCS(=O)(=O)C1 919888968 ISQXKNCLWVXHNE-GFCCVEGCSA-N 430.280 0.742 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c1O 919958678 XMNBAUXFHKWLNC-UHFFFAOYSA-N 433.439 0.535 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 920292286 ZZUVCVAKFLMVMZ-LTXFRBGYSA-N 436.534 0.420 50 20 ICGD Cc1c([C@H](C)NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C 1115855132 YWYSAKZIAOCBLV-ZDUSSCGKSA-N 436.542 0.447 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778894975 FEAKZSDZXPTIHV-CYBMUJFWSA-N 431.205 0.707 50 20 ICGD Cc1nc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028169 GCAXQYMDMSNXNX-FQEVSTJZSA-N 444.517 0.516 50 20 ICGD CC(C)n1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032143 CFJACSQOMLEEPQ-NRFANRHFSA-N 441.492 0.220 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779058304 IMJSGRYYDARJCZ-DETPVDSQSA-N 430.278 0.797 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1780704640 NTXUVYCPNKKYQT-WAOWUJCRSA-N 442.988 0.682 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1781594792 XLDPPPUSPRNDJD-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3COc4ccccc4O3)C[C@@H]21)[C@H](O)CCl 1784086155 VNMHUSTWHFUXND-WPECMILSSA-N 438.908 0.796 50 20 ICGD O=C(Cn1ccncc1=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143787 UEDDSSNAPZKBEE-UHFFFAOYSA-N 446.272 0.371 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924948 JDJHUMBNEUEEOJ-MRBYEJRBSA-N 439.351 0.141 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(C)C(=O)CC1 1794038621 FOSQVRGIEVKNSJ-NGYDUSEUSA-N 441.492 0.367 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795445790 DJYBJXBKIOLBKI-KYHPRHEASA-N 445.402 0.387 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccsc1 1795779792 XBBKHHFEBDGYDQ-CCWDJLKJSA-N 443.529 0.583 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2c1CCCC2 1796155350 SCJSDQHLUYCWKR-HBCWATKFSA-N 433.509 0.130 50 20 ICGD Cc1ccn2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cnc2c1 1796189513 WYWISMRYNYZRMN-REPLKXPHSA-N 432.289 0.888 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]c2ccc(F)cc12 1796191501 RCZPAMRPRXTKJQ-BJWYYQGGSA-N 436.252 0.947 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2ccccc2)n1 1796541383 KYZVRHPMYWQHIW-FSDCSDTHSA-N 433.896 0.724 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1800617437 KQNGNOSVKPXQDV-ALOBAPJISA-N 436.317 0.682 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1800759485 RFZGLGLYHYWYOR-QKDZRIPBSA-N 426.311 0.782 50 20 ICGD COc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801009254 VXQCILFEBUANDD-MFKICJERSA-N 448.520 0.037 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)CCNCC2)c1ccc(B(O)O)cc1 1801308837 UVHJDYMWYPCWSK-WKCHPHFGSA-N 448.332 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnccn1 1805429391 WWLZJCYSEBNPOJ-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807522857 XAPMFSDMZZYCRL-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1813064117 SGYDNRJGGAFRBC-OJFPTFHUSA-N 427.885 0.303 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070282 ICBZCCFXOGCKFF-PXNSSMCTSA-N 446.552 0.233 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350156 GUGBLBNVTACVOX-IUODEOHRSA-N 429.307 0.640 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1 1817643328 KUBRDSLVKWGSSR-GOSISDBHSA-N 436.281 0.601 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)Br)CC2)N1 1825075213 ADFQCTXYJLYLPY-SGMGOOAPSA-N 447.305 0.895 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=N)N)CC1 1827681202 PDMPTOUBWBDYQB-HSOLMKNUSA-N 444.540 0.223 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534869 DIQYGJBNAMWSAA-FZKQIMNGSA-N 448.358 0.389 50 20 ICGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537194 CQEYRKCGQKEHSK-YOEHRIQHSA-N 437.331 0.137 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1831640925 STMLSLWRBPPENT-VKJFTORMSA-N 438.974 0.531 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)no1 1832920912 HAEFZMCRUCWWIY-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162209 NJTLYSGOWYPJSW-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833214127 DHZBNVYCCDOVCW-INIZCTEOSA-N 429.993 0.416 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836239158 AAWBNBXZONTCMD-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836916607 OIFXCOWOLDDRAX-MRXNPFEDSA-N 426.558 0.641 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837640253 IQDAGXNNQCMROS-KXBFYZLASA-N 427.933 0.636 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708562 LJUDNOLUPDKTMG-LPHOPBHVSA-N 429.590 0.209 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838099813 PLXWRFRFKCDMSZ-MEDUHNTESA-N 432.271 0.481 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838170968 YXAPQAUNQNQZQH-KXBFYZLASA-N 427.885 0.068 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338297 XLFPYEVFCXNFDP-ZWKOTPCHSA-N 432.304 0.626 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)c21 1838437434 AOHJPRPFOLYQFN-BEFAXECRSA-N 440.859 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840149109 DTKQBYQETVNWDZ-CXAGYDPISA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840153012 AXBPGJCGVCQDAN-KXBFYZLASA-N 437.884 0.053 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840187527 GYVOAQKMTGFQDP-KRWDZBQOSA-N 449.291 0.572 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1840817287 QGKIELQDKYRFOO-KXBFYZLASA-N 449.907 0.846 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1)C(C)(C)O 1841354677 NZRPITMHWWJCSZ-CHWSQXEVSA-N 433.933 0.454 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccnn2C)C1)NC(=O)NCc1ccccc1 1842464362 KJWIMXUCYQDPPB-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012489 SNDOZZUAQHTJAI-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1 1844379238 HRFIFABMYOPVKZ-UHFFFAOYSA-N 446.617 0.738 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC13CN(C(=O)[C@@H](O)CCl)C3)C2 1845861627 UUNSNCIAKGNSDW-ZFWWWQNUSA-N 438.912 0.425 50 20 ICGD CN(C)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 7373434 IQWXGBVFCLIGAV-UHFFFAOYSA-N 427.596 0.922 50 20 ICGD O=C(COc1ccc(I)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785923 BYYILSWLDYIDMB-VIFPVBQESA-N 438.243 0.252 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 17583066 YQJZXLRDTOLCOV-UHFFFAOYSA-N 445.501 0.951 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)ccc1=O 24895304 LJQWFGIHPBSTAC-UHFFFAOYSA-N 430.428 0.557 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 726244528 UEFNHBYLQXNROG-INIZCTEOSA-N 443.460 0.449 50 20 ICGD COc1ccc(-c2noc(=O)n2CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 726432178 ANGGOJBJUXNJGA-UHFFFAOYSA-N 443.372 0.890 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 728312102 BMRQIJVAGRSPOV-CYBMUJFWSA-N 439.465 0.667 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732261310 CCTFTPYXRDLZPO-VXGBXAGGSA-N 437.888 0.585 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732264334 SUNJNZGYPVKCIV-KFWWJZLASA-N 442.538 0.009 50 20 ICGD Cc1ccc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1 732473222 LRQMGJRAYGRHSV-UHFFFAOYSA-N 433.538 0.590 50 20 ICGD CCOCCCn1c(NNC(=O)Cn2nc3ccccn3c2=O)nc2ccccc2c1=O 733267687 ALIOVIXSAJAVCL-UHFFFAOYSA-N 437.460 0.776 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 734119862 JAIRHLLHODGLQH-MRXNPFEDSA-N 449.533 0.772 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC1=N[C@H]3C=C[C@H]1C3)N(S(C)(=O)=O)CC2 739414229 WMCMAGDVJHJEEH-DZKIICNBSA-N 434.518 0.930 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 740849735 IPTMQECUQWWIOE-HNNXBMFYSA-N 438.550 0.848 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 740850863 CJSFGSRFBCYMDV-MJBXVCDLSA-N 426.539 0.345 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 741881131 XTUWPDHQJYSVOK-UHFFFAOYSA-N 430.486 0.906 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2cc(F)ccc2F)CC1 743419890 OZTOHGBKQRBAIH-UHFFFAOYSA-N 425.461 0.982 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)cc1 743829860 FRINXTLUWVUJTP-UHFFFAOYSA-N 426.476 0.345 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCCC2)nn1 744621280 NLRBSZSHMCQYEN-UHFFFAOYSA-N 432.506 0.855 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744888771 HPWCFLUVJRJFKD-UHFFFAOYSA-N 445.453 0.735 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2c(C)nc(-c3ncccn3)nc2O)c1 744933799 ZKRLFIXSQTZEJT-UHFFFAOYSA-N 436.428 0.803 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745988072 PRZVSXIHDQJIMK-QGZVFWFLSA-N 438.506 0.505 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1cccc(OC(F)F)c1 750277809 XDTPASPFMQXTKY-UHFFFAOYSA-N 433.393 0.340 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 750289920 YVYZDMMEEBIWRS-UHFFFAOYSA-N 425.467 0.066 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)nc1 753361177 YXTOXSWXLSLPQS-MRXNPFEDSA-N 447.521 0.985 50 20 ICGD Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 753776661 ZYWUIKZRRMCNRH-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD CN1CCN(c2ncc(C=NNC(=O)Cc3csc(N4CCOCC4)n3)cn2)CC1 755600122 XEPJWHCRTVUGGZ-UHFFFAOYSA-N 430.538 0.214 50 20 ICGD COc1ccc(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1[N+](=O)[O-] 758526224 ATVGBWOTYWCXRR-UHFFFAOYSA-N 436.284 0.972 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCNC(=O)C3)c2)cc1 760223042 BBQXFUMFTXZZRD-AWEZNQCLSA-N 446.485 0.783 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)CC1 763551127 JZHIUFPINSKDSF-UHFFFAOYSA-N 439.472 0.957 50 20 ICGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 763790465 IVQQQOXGHJANMK-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 763804276 RKLNSKLNPRGKLD-CYBMUJFWSA-N 444.400 0.927 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 763807956 SHWNVGLUVPNPQM-UHFFFAOYSA-N 446.423 0.328 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1C 764130849 ARFLVGYFQAPSOR-UHFFFAOYSA-N 433.486 0.877 50 20 ICGD CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764165279 VHFYKOVKEKXNIU-AWEZNQCLSA-N 437.861 0.833 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 764339666 WWOQKUCTRIFLQW-UHFFFAOYSA-N 435.506 0.823 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764370175 OCELJKDTIFBDBB-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1C 764387722 MBMPJMOIEWYPOD-UHFFFAOYSA-N 428.380 0.741 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 764397811 NOIZGIILUGYHOI-BZUAXINKSA-N 436.509 0.433 50 20 ICGD Cn1ncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1-n1cccc1 766644924 XQIHOICXJDABKQ-UHFFFAOYSA-N 435.488 0.430 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778705588 DFNDSSVCFABKHA-UHFFFAOYSA-N 432.383 0.837 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3cccc(N(C)C)c3)ccc21 778706892 HCFQBBKYLPNERB-UHFFFAOYSA-N 439.472 0.688 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 780710258 ZTBNSFZYHMHRQS-UHFFFAOYSA-N 426.495 0.566 50 20 ICGD COC(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 780825383 OSIVUBNHXYUMLA-UHFFFAOYSA-N 437.434 0.986 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C 782896248 DBCNWHDITHECPC-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cn1 783288906 ADORMWJQDMUJOU-UHFFFAOYSA-N 439.816 0.289 50 20 ICGD O=C(NNc1ccc(-n2cccn2)nn1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 783436407 KUUOINOSNMQJDA-UHFFFAOYSA-N 431.420 0.733 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1I 783998607 DVOSBQIJGCZKIM-UHFFFAOYSA-N 444.229 0.308 50 20 ICGD N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 785341400 CXQSYVSCPJSRNE-JBXOJTMHSA-N 441.506 0.394 50 20 ICGD N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 785341401 CXQSYVSCPJSRNE-JMPLCFMRSA-N 441.506 0.394 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3OC2)ccc1Cl 788744428 PZQBYEXRIWDMJL-UHFFFAOYSA-N 443.890 0.985 50 20 ICGD CCC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2C1 789734563 DBERLPUXFYXVEW-UWVGGRQHSA-N 431.540 0.072 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 792355375 GWZRQTVIYBKHHZ-QGZVFWFLSA-N 427.461 0.726 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 793027216 WTHJEPPVSNYPIX-JTQLQIEISA-N 444.872 0.188 50 20 ICGD CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@@H]1CCc2nncn2C1 793448585 UYZUFSQLZDNIEJ-SECBINFHSA-N 427.508 0.907 50 20 ICGD CC(C)(O)[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 795764173 OGNMSKMDOZPGSJ-PKOBYXMFSA-N 444.440 0.736 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 796991815 POIWVBDGVYENEB-UHFFFAOYSA-N 429.389 0.428 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 797535571 OIXKEXBSUNXFMF-SECBINFHSA-N 447.242 0.803 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNc1cc(Cl)nc(N)n1)c1ccc(S(C)(=O)=O)cc1 797750823 LQDMPCNXEVODJZ-INIZCTEOSA-N 426.886 0.610 50 20 ICGD COc1cncc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 799120972 WJPPAQCMPTXSOO-UHFFFAOYSA-N 428.492 0.029 50 20 ICGD C[C@](O)(CCc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 801494563 YMELODSZTKGZIW-AVRDEDQJSA-N 428.441 0.901 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 802046415 NCIWQMXGBVTXMM-ZPTNNJSTSA-N 438.387 0.992 50 20 ICGD CN(C)c1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ncn1 810222698 ZHNYJHSJAQOOCH-UHFFFAOYSA-N 449.493 0.030 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)CCOCC(F)(F)F)ccc1Cl 811678670 YHEUECNMSJSNHH-UHFFFAOYSA-N 439.821 0.131 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnn(C)n1)N(S(C)(=O)=O)CC2 814758688 FJFCANZDPZPMJB-OAHLLOKOSA-N 436.494 0.232 50 20 ICGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccs1 815228614 ZUXIICDMOPLREQ-SFHVURJKSA-N 432.502 0.845 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 915190598 MPAUIKADVTUOSB-UHFFFAOYSA-N 435.487 0.129 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 915686405 WEGNAABRUYHKPF-MRVPVSSYSA-N 425.341 0.732 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)c2ccccc2c1=O 917915292 JTAFGJAQRRZACH-LLVKDONJSA-N 449.514 0.606 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 918075438 SULGJWRDUQKSEO-LBPRGKRZSA-N 438.428 0.927 50 20 ICGD O=C(Cc1csc(Cc2ccc(F)cc2)n1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920886829 YNDUYLSPGBTCCF-ZDUSSCGKSA-N 426.495 0.933 50 20 ICGD COc1ccccc1C(=O)NNC(=O)/C=C(\C)C(=O)NNC(=O)c1ccccc1OC 1348618526 CGFRZQRQQLNHTB-OUKQBFOZSA-N 426.429 0.872 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1781899894 HCOHWVRKQBGNOB-HNSFDTNUSA-N 447.374 0.267 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@@]1(F)Cl 1782291776 TZIJELMMCIFOTK-SMOSDQRPSA-N 438.692 0.418 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783321806 HMUKRZOCWSNXEC-SBUREZEXSA-N 438.289 0.277 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1783934124 ZEXLKBDEEGCQLZ-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1784373788 IHKPBFOKEWAOCB-CXAGYDPISA-N 432.308 0.091 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccon3)[C@H]2C1 1786220645 DDOLVECCLGRCQJ-NXCXZXNTSA-N 428.449 0.402 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787435683 FMNARCREPZBYSV-NAKRPEOUSA-N 427.242 0.860 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611318 UIAHZTQXIDEQGJ-MXJLVENISA-N 429.521 0.715 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)N1CCN(C)CC1 1789798846 RQAVDPCLMHGGSF-QAETUUGQSA-N 445.402 0.387 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1789860456 UXCVIQINDDJFSI-VGWMRTNUSA-N 435.974 0.409 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790548603 WXOKEVXQIHHFID-OIGVQNGMSA-N 448.951 0.986 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1790961725 PKPQBVIBEFIMFP-PEDHHIEDSA-N 434.331 0.202 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794009502 DXOWSSACTWXZLW-DHMDNZFNSA-N 441.492 0.066 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)n1 1794280329 BWLSFNMEHDNYKX-JLUCKKNBSA-N 443.273 0.934 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]ccc1C 1794388792 XROAQVJMQVJHQC-FJABVQHVSA-N 426.477 0.660 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796363480 SKIFRYYLELJSJL-JLZCTACVSA-N 449.907 0.481 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)[C@@H](O)C1 1796367739 RWGZXBVVGUOARS-IWTMDLJTSA-N 449.907 0.338 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CNC2=O)c1cccc(B(O)O)c1 1798219290 VQPXJRIOCSKHMF-REPLKXPHSA-N 433.273 0.175 50 20 ICGD CCc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798762780 HDYGXOLTCVSBDQ-DRXBFXEBSA-N 444.517 0.221 50 20 ICGD N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1799641976 NDGPBDAQMDLXRU-XEMDLRDOSA-N 448.483 0.268 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccc(O)c1)C2 1801012893 MEJJWXFOCZTWTA-MCFAGCPESA-N 430.505 0.368 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802598415 WVTPSNNJBPMKFE-HKUYNNGSSA-N 425.294 0.506 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)ncn1 1803142615 YOAAGEWLCACOQR-UHOFOFEASA-N 433.852 0.489 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1804353127 BJDOHIYVQKIHRU-KANFNMMFSA-N 443.548 0.816 50 20 ICGD CNc1nsnc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1804845666 JJWYTZRYFYOAMQ-UHFFFAOYSA-N 443.338 0.418 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523436 OTERCBZQGPAJFN-BRABVMKYSA-N 437.928 0.951 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1805832800 MLTGTFIXYKQLFZ-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807116603 WHIHRYDBLKLZJK-QFBILLFUSA-N 432.601 0.779 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807608729 GSQUKGGJMSRKBH-IVMMDQJWSA-N 436.314 0.805 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1808259382 HVOBZOAWURXBTR-HEHGZKQESA-N 444.883 0.545 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808682244 AMPJBSIHFXCQME-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1808764540 QMJOCBWPADJKDE-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD N[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)c1ccccn1 1809976591 JAYGCNJWCICEPQ-FQEVSTJZSA-N 436.321 0.306 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813072783 FKCPIJBCTRUTPE-QFBILLFUSA-N 445.520 0.414 50 20 ICGD CN1CCC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1814490829 ACOWTGOQJJTLNI-IBGZPJMESA-N 439.325 0.737 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1[C@H]3SC=C[C@H]31)CC2)c1cccc(B(O)O)c1 1815359770 DGINNXSHQBKUET-GFOFROLCSA-N 441.343 0.924 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473826 BRYUXHRICPNFDL-CXAGYDPISA-N 441.297 0.310 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccnn2)n[nH]1 1817652411 UGXKWXHUXNCXLI-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1 1820714580 AVGIKWLJLVCVRJ-MRVPVSSYSA-N 443.445 0.375 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820846183 GFOLPTDRKCXLDM-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823013743 IIKMZFCAKOSFEG-CPFSXVBKSA-N 445.270 0.671 50 20 ICGD CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823079723 ONHLLFUEUNMLBG-DOMZBBRYSA-N 444.322 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CSCC(=O)O)CC2 1826089626 IGJZAIHVYMVOSM-JTQLQIEISA-N 443.551 0.246 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1830543912 HOAYQWCQQQXPQU-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD COc1ccc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733321 IJUCZCKXDUESNV-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831645762 GFXBHHOOBLUASB-KUHUBIRLSA-N 427.885 0.970 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831649674 XQSMXXXOEGFYBB-UBHSHLNASA-N 443.342 0.988 50 20 ICGD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870566 ALXOKQZUOBJDKV-SFHVURJKSA-N 426.558 0.642 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833199200 LEGAHZATVDVEMW-PXNSSMCTSA-N 438.601 0.827 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cn1 1833436939 RSRWNFFPSUIAQY-QGZVFWFLSA-N 433.292 0.749 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1834423318 OOCLXQWPZNUIDW-UHFFFAOYSA-N 440.342 0.740 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1)c1ccc(B(O)O)cc1 1834797848 LCVHTKMDYGQUDB-UHFFFAOYSA-N 449.307 0.597 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161502 BRBVSHRQABJTFW-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711715 OCYXEGCIGHNGRG-SFHVURJKSA-N 426.546 0.487 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)no1 1837717581 HWEDMGPUTQIJDP-IBGZPJMESA-N 425.558 0.833 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cn1 1839150877 AIEFVYJBVHEFLB-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839152142 OXYCRUOJFYMQGN-ROUUACIJSA-N 433.336 0.655 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839715530 HUMYBXNYFHRLLT-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1840027503 CKYCBMSGSWZBPT-FLQJBOFYSA-N 435.427 0.709 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1840029341 AYSLPFMDKYBLLT-GRDNDAEWSA-N 433.343 0.777 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1840642081 FBBGBVPMMFVREW-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1)C(=O)O 1840835877 MCYNBBCXBVSXIG-YPGXOENKSA-N 433.299 0.505 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1840991942 NCPQFILMIRIILD-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2[nH]nc3ncccc23)C1 1843283129 GFCZNVFBPSGMQU-ZMOGYAJESA-N 434.460 0.909 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc(O)n3c2CCCC3)C1 1844397167 OAQAYWFPZUYORS-UHFFFAOYSA-N 439.476 0.054 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846363418 HOCABQFBIPHOPZ-SOUVJXGZSA-N 445.944 0.671 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cncn1 1848099741 SZHFJPOTASYSNU-IHRRRGAJSA-N 426.905 0.612 50 20 ICGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 23297411 JNVHXADJYRWQOG-INIZCTEOSA-N 442.969 0.430 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 726076844 GQXJAPKJKFZFRL-YJYMSZOUSA-N 427.571 0.997 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 727350124 GXLPRERIRHSISW-UHFFFAOYSA-N 441.516 0.906 50 20 ICGD O=C(COC(=O)C1CCN(c2cnccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 728322513 CATJUGHQSAUYFA-KRWDZBQOSA-N 441.444 0.224 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 728513028 OZOLZHUMUSWNBV-QGZVFWFLSA-N 428.445 0.747 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccnc3)c2)C[C@@H](C)O1 728852628 KANPDICZRWYANP-HUUCEWRRSA-N 432.502 0.883 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cccnc2)cc1OCC 728891931 LJEKBJMZXZWROU-UHFFFAOYSA-N 436.490 0.547 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)s2)CC1 730216662 URXAMIORCZFDGU-UHFFFAOYSA-N 428.536 0.552 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3(C(N)=O)CC3)cc2)cc1 731597252 HJXFUVHPWPUESL-UHFFFAOYSA-N 446.485 0.913 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 740851524 JGIDJPAZRZSZIL-UHFFFAOYSA-N 438.428 0.436 50 20 ICGD COc1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(Br)cc1O 742575532 HWXJNFPSDPCWQA-RUDMXATFSA-N 435.234 0.933 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 744385101 KXFJFMLBNAUOPR-UHFFFAOYSA-N 439.538 0.178 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744633086 BGMMBESGPZUPEM-UHFFFAOYSA-N 430.442 0.393 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 744960423 QSAFTTVLIGSBST-UHFFFAOYSA-N 425.792 0.805 50 20 ICGD O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)NNC(=O)c1ccc(F)cc1 745981112 OAYVLWODCMKYMA-UHFFFAOYSA-N 444.492 0.474 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1F 748080120 KLNZKQKKHXXZIK-UHFFFAOYSA-N 446.464 0.720 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1=O 748547840 ZIYWTNQIPKUOKB-UHFFFAOYSA-N 426.385 0.596 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 749906691 HGOUENBOEKCFMF-INIZCTEOSA-N 433.432 0.015 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)o1 752380383 NWYHPKVNEMXKLN-UHFFFAOYSA-N 435.506 0.668 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1c(Cl)cccc1[N+](=O)[O-] 758102796 CNLCXMUAYYTAOS-UHFFFAOYSA-N 426.842 0.673 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 758958664 VLWHVUUGFIHDJM-MRXNPFEDSA-N 431.518 0.957 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cc1 763482921 NXAZCNMXJXYETL-UHFFFAOYSA-N 449.261 0.974 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 763630919 QXUZZGFPIBCZPM-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 763664187 SEPYILNIBZGCOW-UHFFFAOYSA-N 449.427 0.621 50 20 ICGD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001054 ZPIPLGOMOUQXEB-HUUCEWRRSA-N 436.534 0.894 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c(O)c1 764105647 WUQOUWNJGCPHOH-UHFFFAOYSA-N 434.474 0.787 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764281122 ZCBCDXLOGMUIIA-UHFFFAOYSA-N 448.457 0.097 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 764398894 IJMQHKLDHHUOJF-OWCLPIDISA-N 448.520 0.942 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc1 764405527 TXSDRWSMHURIRH-UHFFFAOYSA-N 426.429 0.226 50 20 ICGD C[C@@H]1CN(c2ccc(CNC(=O)NNc3nc(O)c4cnn(C)c4n3)cn2)C[C@@H](C)O1 770341448 NTKPPDPRLXJAKA-VXGBXAGGSA-N 427.469 0.904 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cc2ccnc(O)c2Br)c2ccccc2c1=O 770813030 AJOCZYWVICBJFH-UHFFFAOYSA-N 432.234 0.800 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772898917 WUCPLTWDGSISQV-UHFFFAOYSA-N 442.856 0.928 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)nn1 773499108 JAZXTOFRSQFHFX-ZDUSSCGKSA-N 441.423 0.972 50 20 ICGD COCCN1C[C@H](C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 776206647 XSDSEDHMUFJKAU-CQSZACIVSA-N 427.502 0.117 50 20 ICGD C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 776226593 GXADVQVCHRXTOS-ZWKOTPCHSA-N 434.518 0.986 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 778712471 OBBZIFXKTIJZOG-BBRMVZONSA-N 441.868 0.789 50 20 ICGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2O1 782898001 VSMMKJGUBVZOBN-GFCCVEGCSA-N 431.474 0.555 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783263888 MLSPVVUXTJMWJH-UHFFFAOYSA-N 434.478 0.210 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(OC2COC2)cc1 784213420 MRTZNAACIPBDAS-UHFFFAOYSA-N 446.485 0.987 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)nc1 792391568 GAPMLAQWRFDUKG-GFCCVEGCSA-N 435.462 0.813 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 797370810 VIEUANNZYXSFBT-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCc4nn(C)cc43)cc2)CC1 798983154 WMRXRQIEVVETDD-KRWDZBQOSA-N 432.550 0.919 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(N2CCC2=O)cc1 799258462 DJCXVICLUWBTBJ-UHFFFAOYSA-N 434.412 0.714 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1F 802566262 GQGONAXDHVTYSW-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F 806566473 HOUHPYLHGJNDHD-LBPRGKRZSA-N 426.417 0.478 50 20 ICGD COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2)cc1 806788602 VVIXCUWRKBPQHM-GUYCJALGSA-N 448.501 0.251 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 813034044 WFJSLIOBOQUXPW-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OC 906441402 HSHKCIGLPQNYGS-UHFFFAOYSA-N 443.503 0.625 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C1CCC1)N(S(C)(=O)=O)CC2 913161834 YAUHDGKIOABPJG-OAHLLOKOSA-N 425.507 0.900 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 914531925 OBJVNKGQYSSBMG-OAHLLOKOSA-N 427.523 0.754 50 20 ICGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1116292632 PHLJHXYFWPOBRO-HNNXBMFYSA-N 426.521 0.811 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNc1ncncc1F 1117765872 DZRXFQICQBQWNV-ZDUSSCGKSA-N 429.861 0.946 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(CN3CCCC3=O)o2)cc1OC 1248382263 JWXJHTJJMXFEFX-UHFFFAOYSA-N 435.462 0.763 50 20 ICGD O=C(Cn1ncn2nccc2c1=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 1318503038 XZLUVPXBWLJYQH-UHFFFAOYSA-N 431.338 0.905 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(S(C)(=O)=O)s2)c1 1320755604 PNYYCDNQOFTQCI-UHFFFAOYSA-N 431.517 0.699 50 20 ICGD O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 1322920154 QAJVGLZPPSWKRC-KRWDZBQOSA-N 427.509 0.223 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 1341633141 ITVUQWGXLDSRRH-RDTXWAMCSA-N 426.495 0.219 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778031161 QXLKXEQXJOYKQT-HBUWYVDXSA-N 427.864 0.347 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778747791 FSZLTGTWTQBYIH-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779398904 PRYRYJFMVHJGOC-WBMJQRKESA-N 432.702 0.887 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C)n1C 1779926521 DPLYHAFSIZUNGY-QFIPXVFZSA-N 440.504 0.398 50 20 ICGD C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970719 XRZKYFJBIVVFOH-HSZRJFAPSA-N 441.532 0.576 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782213938 BIANDADLADYASY-JBYIUTFZSA-N 448.568 0.639 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn4c(O)nnc34)CCO2)C1 1783534692 NGQONXYPQZNXMF-GTNSWQLSSA-N 438.282 0.662 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21)[C@@H](O)CCl 1784092010 CMWWKGWNAFTZPT-NZBMOFRJSA-N 429.832 0.927 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784438494 ITLFKLZOYKBFLM-GVRJEKJASA-N 437.990 0.701 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785595364 DLDOGPZAEOMEEU-FMSGJZPZSA-N 429.315 0.893 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746841 LFRIBDYDTWMBPA-FPXQBCRKSA-N 436.380 0.925 50 20 ICGD CN1N=C(C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)CCC1=O 1788140122 IRUXSDPHTKOPEX-UHFFFAOYSA-N 448.288 0.722 50 20 ICGD Cc1onc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1C 1788611602 MBAXNUKXMMZYKA-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1788703642 DZAPEYAVKUJCJC-ZCRGAIPPSA-N 427.864 0.109 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1795117089 MFPOITRADDAWFW-BZBKMWRSSA-N 430.221 0.040 50 20 ICGD O=C(CSc1ncccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191209 LQYXZUWANDRMIY-BJWYYQGGSA-N 426.307 0.201 50 20 ICGD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n1 1796441224 MJNBGBYCWNCKDS-SNOXVSQISA-N 441.492 0.240 50 20 ICGD CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)CC1 1800362721 HLCZIFXYMIWMQL-YIYPIFLZSA-N 431.327 0.950 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(O)nn1 1801235631 IXBRPHKJQZEFPN-QDMKHBRRSA-N 439.476 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc(F)c1F 1801770192 JDNRHCBQBBROBQ-SLAYPKMVSA-N 442.438 0.680 50 20 ICGD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804647636 HZYUZVHAFVRMOT-DENIHFKCSA-N 445.288 0.114 50 20 ICGD CC(C)(CCl)C(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1805260224 YTBKYZYGWPCTQT-UHFFFAOYSA-N 435.916 0.922 50 20 ICGD CCOCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806505142 QHYQNDZXFIMTFE-KXBFYZLASA-N 426.477 0.436 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363600 MSNARDDXCGZWBW-TZIWHRDSSA-N 437.305 0.508 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370752 KCLDJTQDDPNKGA-WIYYLYMNSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(Cl)Cl 1813075900 KKRUFCGPVSQMIF-GDBMZVCRSA-N 436.104 0.885 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350230 LDHPKZORRJBTQQ-CQSZACIVSA-N 429.307 0.664 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792993 GGWJHKMKFHUSFO-BMIGLBTASA-N 446.533 0.774 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768770 XOIHQMOEHVMMPD-HZPDHXFCSA-N 425.913 0.521 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903920 GMHGNXCAFPJIKT-OCCSQVGLSA-N 443.342 0.941 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)c1ccc(B(O)O)cc1 1825687370 UNEVKKWYRMXPMM-ANQUJSFKSA-N 441.318 0.616 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054908 MZNRUWGUSCJRRZ-MOPGFXCFSA-N 436.745 0.854 50 20 ICGD O=C(c1noc2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728964 ZMOJGXIQSSJXLN-LIRRHRJNSA-N 427.885 0.223 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831639881 FXCKRYGDPLQDAV-MAUKXSAKSA-N 443.888 0.655 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1831640064 XYZBADJMGUESPA-LPHOPBHVSA-N 434.002 0.899 50 20 ICGD COCCn1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n1 1833310230 DQMTZRPSSLOHBE-GOSISDBHSA-N 441.960 0.314 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834030862 DESQXLTXWAIMNQ-PBHICJAKSA-N 427.299 0.720 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC)nn3)CC2)CC1 1836057415 MJCPYLFCOFTIAY-MRXNPFEDSA-N 439.944 0.924 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C(=O)c3ccco3)CC2)CC1 1837111718 GLCALJZNKIVXEW-UHFFFAOYSA-N 448.520 0.834 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837269277 WQNACBLAVCIZST-GOSISDBHSA-N 428.921 0.041 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837399599 XKDVEPNTIZHVOT-UZLBHIALSA-N 428.602 0.867 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837943458 IZTJQUYIPZGZCN-IBGZPJMESA-N 440.884 0.510 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839147371 OMIKUFOPABZPEE-VWXURSGXSA-N 441.956 0.861 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839962026 QQUYLDFRTGBSDE-MAUKXSAKSA-N 441.326 0.649 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839963071 ZBXMUCVFEVATCE-RVKKMQEKSA-N 431.327 0.655 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839965194 QGEVIGFWOJIPSU-MAUKXSAKSA-N 443.342 0.891 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036968 UPQRDMMBTIZCTM-WWGRRREGSA-N 439.372 0.340 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1841925065 KLLZSWVWTKWTMV-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CNc2ccc(F)cc2)C1 1842886774 LHKSPGIFYKBRNP-UHFFFAOYSA-N 426.452 0.753 50 20 ICGD COc1ccc(OCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1 1844263266 KXNCVNKANWUDJL-UHFFFAOYSA-N 439.472 0.590 50 20 ICGD C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2O1 729964572 GAJCTSSSEQURJS-LBPRGKRZSA-N 439.515 0.884 50 20 ICGD COc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(OC)c1OC 730569139 PLSPDKGGOCBTCC-UHFFFAOYSA-N 437.478 0.137 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 730780211 KKRADYJCHSSLDX-MGPQQGTHSA-N 435.502 0.825 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F 730823416 KCGNUCQXWOWYGU-INIZCTEOSA-N 431.371 0.675 50 20 ICGD CCNS(=O)(=O)CCNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 731760728 XPVCPWWWJFPVED-UHFFFAOYSA-N 434.518 0.926 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)CC1 733194975 ZAVKGIPDLYQLCJ-INIZCTEOSA-N 437.541 0.335 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 743420153 WXLUBTRRHWTANQ-INIZCTEOSA-N 435.481 0.604 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C 744384279 AMPFPDNMVZQGAC-CQSZACIVSA-N 428.580 0.185 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)NCc1ccc(Cl)cc1 746325219 BLDOPZAUNOQYKK-UHFFFAOYSA-N 426.886 0.727 50 20 ICGD C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749618210 BVHXBPAMXBUZIR-HNNXBMFYSA-N 447.517 0.678 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(CCCc2ccccc2)C1=O 750267462 MQPPVTVERQZSJV-IBGZPJMESA-N 448.487 0.840 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 751209337 PCWPDCGRUYFDSS-UHFFFAOYSA-N 429.418 0.736 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1OC 752020406 PSBGSXGMYPNRMN-XCLFUZPHSA-N 433.465 0.758 50 20 ICGD CC[C@@H](C)OCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 752127034 HNUPTWVBGIDAFL-MRXNPFEDSA-N 426.539 0.264 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(=O)N1CCOCC1 753056929 JMIGEPNIEOOKKX-MRXNPFEDSA-N 444.492 0.559 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 754534871 BNIWICAHVSJFKO-NIFLVVHWSA-N 433.486 0.174 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NNC(=O)Cc1cc[nH]n1 755411004 IEHXNDGOBWZGDZ-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)n1 756645926 MBLRGHPRHDXGIS-UHFFFAOYSA-N 427.421 0.813 50 20 ICGD O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)C(=O)Nc1ccccn1 758841679 QPXULESUMHUVAZ-KRWDZBQOSA-N 432.440 0.604 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)n(C)c1=O 760053873 RIMIGGFQQMUAEQ-VIFPVBQESA-N 447.418 0.131 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 761691103 MLEFMSHVWQIGEY-UHFFFAOYSA-N 448.592 0.496 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1-n1cnnn1 763867613 XQLMOOMCTKWWOP-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 763886318 SRBSDLHLTFGFAX-HOTGVXAUSA-N 428.493 0.900 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c(OC)c(OC)c1 763918316 DWCOPEUNVLWKLT-UHFFFAOYSA-N 433.392 0.958 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 764042169 CNISRWCVPPTKKF-UHFFFAOYSA-N 439.472 0.483 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764158440 FOSWTIZKHKANHE-UHFFFAOYSA-N 438.462 0.765 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764370233 PIYQQDAUMXSGJN-UHFFFAOYSA-N 441.412 0.989 50 20 ICGD O=C(CSCc1ccccn1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644046 ODCAVFVBYZLYEY-UHFFFAOYSA-N 427.530 0.920 50 20 ICGD COCCn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1=O 766651090 YZOVIRXZMQTWNF-UHFFFAOYSA-N 441.532 0.382 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)n(-c2ncccn2)n1 768242582 UORYPCRMPXESQW-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cc(-c2cccs2)[nH]n1 768267794 CRCPVGHTDYBVLE-UHFFFAOYSA-N 438.477 0.649 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276817 MXPCWEQQSPUNCH-JSGCOSHPSA-N 449.464 0.012 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1 770424793 YORHBNXLORWRMX-UHFFFAOYSA-N 425.488 0.686 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)c2ccccc2c1=O 772632279 YIFDHJGVKQPGMJ-INIZCTEOSA-N 435.506 0.238 50 20 ICGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 776258142 MYYSVRVFKTTYFD-UHFFFAOYSA-N 447.517 0.587 50 20 ICGD CN(NC(=O)c1cc2c(O)ncnc2cn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 779414720 UORJPGWTEYLKHN-UHFFFAOYSA-N 431.453 0.980 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1OC 780366791 YNEYZNZDZMYLJP-UHFFFAOYSA-N 443.503 0.577 50 20 ICGD COC(=O)c1cccc(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 781037354 KRXATQVZTGGKPF-UHFFFAOYSA-N 434.474 0.714 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nc1 782148559 ZIKXNPILPOQMQU-ULJHMMPZSA-N 446.489 0.985 50 20 ICGD COc1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230589 OBNYHXXJTMINGR-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 789585701 CBDMOTBYZWQXBM-UHFFFAOYSA-N 448.233 0.889 50 20 ICGD O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793449468 DGVUTSAOMWLVJU-SSDOTTSWSA-N 434.261 0.855 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1C 797007803 RZBYEBAYXUESJW-UHFFFAOYSA-N 443.395 0.293 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 804952767 SHNXOWUALSKLIX-RBSFLKMASA-N 447.521 0.215 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 807001153 REYPRVUUVASPCB-IBGZPJMESA-N 439.538 0.103 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccnc(OCc2ccccc2)c1 815693341 UGJKHHKCVOOKFA-OAHLLOKOSA-N 435.444 0.601 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(F)cc1Br 815693357 USMUOYFNGDYXKC-SECBINFHSA-N 439.245 0.837 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751805 OYCXMJTZENEQRA-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD COc1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(O)c1O 916258811 MLIJFIOVZGGREP-UHFFFAOYSA-N 435.458 0.891 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1OC 916259920 JEBYYAKTHZLZNX-UHFFFAOYSA-N 428.511 0.852 50 20 ICGD O=C(COc1ccc(Cl)cc1Br)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317993887 ZWYQOWQLJGNYON-VIFPVBQESA-N 440.703 0.999 50 20 ICGD O=C(NNC(=O)c1ccccc1O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1318619902 DCLBZPZZBGIURP-UHFFFAOYSA-N 426.495 0.309 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cncn1-c1ccccc1 1319280452 QWZWSYQHYILMNR-UHFFFAOYSA-N 441.469 0.642 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1341797593 WKAXTZDHEFLJCS-FZKQIMNGSA-N 427.479 0.141 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778609051 GGKYGZHVTNFUBD-XMMPIXPASA-N 445.284 0.672 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779326079 UWIGWZREAJBNBX-NRTGNBEESA-N 432.949 0.462 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781058713 CJHPBZOCGNELJP-ULMVMLMRSA-N 427.929 0.471 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CCCO3)CCO2 1783938489 ZMUVEALJFWBRLB-QHCPKHFHSA-N 444.532 0.828 50 20 ICGD Cn1c(=O)n(CC(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c2ccccc21 1783947418 BTKMZDUYTFNWJJ-LJQANCHMSA-N 441.315 0.974 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3ccc(O)nn3)cc2)CCC1)c1cccc(B(O)O)c1 1787228726 SNVXMKCQGNYVCK-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789191518 KOWCBBCKZIWGJO-SDADXPQNSA-N 449.895 0.633 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21)[C@H](F)Br 1789923233 ZWDFCAZDHNKGLN-KBIXCLLPSA-N 431.205 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789933284 VOMAAXTUWBDQFE-IHRRRGAJSA-N 445.358 0.267 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1792870969 NUAWYTJQZVGOAU-XPCVCDNBSA-N 439.310 0.641 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1F)NC(=O)NCc1ccccc1 1793671419 QHKXXXJBRBKPAC-IHEQNBGGSA-N 447.511 0.280 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nnsc1C1CC1 1796189174 GYVGAZVHFAALMJ-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD Cn1cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)ccc2n1 1796193141 NZZVKXHZURNRCN-ACDBMABISA-N 432.289 0.819 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1c[nH]c2nccc-2c1Cl 1796219973 UZEMOPLKRYNENN-YJKIEOBBSA-N 427.288 0.971 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)nn1 1796891996 VAHGYTZTLRBLQP-NGYDUSEUSA-N 439.476 0.871 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797690237 AFBWHNILCZZSHG-VJTDZRGJSA-N 433.347 0.315 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)cc(Cl)c1 1801756158 ASWIRFVWTOKVJV-CCWDJLKJSA-N 446.671 0.676 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncnc1 1805786557 GGCKPRIXLNKFGH-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(=O)oc1 1806116559 WZVUXKAAYZFOOS-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362215 FRGLEWINBNADRG-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365527 YCUHJDRMSTYZBO-NQIIRXRSSA-N 446.272 0.028 50 20 ICGD C/C(=C/C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807374895 OZWKQAMDDRMCFQ-QRXLRCHTSA-N 437.261 0.112 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccon2)[C@@H]1c1cccnc1 1810299085 NJYJXPCIUKTNBR-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)O 1815080967 WRUPXRPLVRQSGI-CMPLNLGQSA-N 428.587 0.969 50 20 ICGD COCCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817047447 VOIWTEHVKVJCBI-QGZVFWFLSA-N 430.270 0.058 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]n1)c1ccc(B(O)O)cc1 1817476014 ZTNXUPMQQPWKRS-RWQQGDIJSA-N 438.293 0.963 50 20 ICGD Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1817748335 VBDVGCDIDNHXPR-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)c1ccc(B(O)O)cc1 1826339297 QPKOGISBJGPSJI-FVQBIDKESA-N 443.334 0.600 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831644392 WYNQVVIEUSWTMB-AUUYWEPGSA-N 427.885 0.563 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831830568 UFBGRWYMYXRLQS-CABCVRRESA-N 439.877 0.585 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831888905 KJBHGFZJIBZYTK-PMACEKPBSA-N 448.394 0.714 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833574537 GGBMVQNKDMOWCQ-SJCJKPOMSA-N 434.276 0.110 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1834163781 NSFDQDPXANBWHP-CXAGYDPISA-N 429.315 0.582 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1nc2ccccn2n1 1834968574 YNDAFSKFYLDYTG-INIZCTEOSA-N 434.928 0.514 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)s1 1835841985 QBSYMGIWTVYZCE-HNNXBMFYSA-N 433.328 0.580 50 20 ICGD Cc1ccn(C)c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836195671 UYQYTOODUGIMBQ-UHFFFAOYSA-N 446.596 0.892 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837091144 XTARDXNDGVWSCB-SFHVURJKSA-N 441.326 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097042 JRUBBUGDRBXFCG-DNVCBOLYSA-N 426.901 0.153 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837247177 TZANPHXWHWFYMD-MLTMRYFHSA-N 439.372 0.385 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1 1837288883 VCOLBBRDYHTXGJ-INIZCTEOSA-N 441.912 0.952 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151547 VZKFQIMRUQDGQN-SJORKVTESA-N 425.309 0.632 50 20 ICGD COc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)c1 1839406825 PDCWSFQSKNSKOP-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839448721 QODJDKRTDLYVMD-WMLDXEAASA-N 447.257 0.858 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840032456 ZBKVZRXDGMGPCH-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1844693144 BAWOAWKSRAWVSO-CQSZACIVSA-N 444.444 0.863 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845061017 XLPNDIBBGGQMBI-UHFFFAOYSA-N 431.298 0.097 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 14327298 ZYIVLMDBVCHTBP-BJOHPYRUSA-N 425.850 0.977 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21 14854231 ZKDRHYRMSVYAFA-UHFFFAOYSA-N 427.486 0.899 50 20 ICGD CC(C)CCC(=O)NCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215084 WOAVVOSEYYNLDA-UHFFFAOYSA-N 425.555 0.618 50 20 ICGD O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NNC(=O)c1ccc([N+](=O)[O-])cc1 734980765 JLXLGVKKHTUKFO-UHFFFAOYSA-N 443.401 0.853 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3c(cc2O)OCO3)CC1 735117484 UVZLMCVGCQZYRH-UHFFFAOYSA-N 435.462 0.209 50 20 ICGD CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 742465099 CMTGMMJRRRVHCQ-UHFFFAOYSA-N 435.506 0.489 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 744387966 HLDGCHDLZWCHLF-UHFFFAOYSA-N 439.447 0.682 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744950559 WWDJFQKCGTUBIL-GFCCVEGCSA-N 434.412 0.557 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCC1CCN(S(C)(=O)=O)CC1 749016691 BPILZZKCRKFXJL-UHFFFAOYSA-N 428.511 0.466 50 20 ICGD CCc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cnc2c1c(=O)n(C)c(=O)n2C 753884586 HEPOPNFPJAUZHK-UHFFFAOYSA-N 426.389 0.178 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 756648074 XXRNDJIRVWTJDT-UHFFFAOYSA-N 432.481 0.846 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 758056784 SVDIBBZMRICGNA-YOEHRIQHSA-N 432.502 0.113 50 20 ICGD C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc2N1C 758523956 QLERCBKUDVHETE-LLVKDONJSA-N 445.339 0.903 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1F)N[C@@H]1CCS(=O)(=O)C1 762058680 BCIHLKGZQXMDLF-MRVPVSSYSA-N 441.222 0.561 50 20 ICGD O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 763704678 HKWSUBMZESKUDA-SFHVURJKSA-N 446.485 0.897 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1 763738688 WMCGJYBFVCBQPG-UHFFFAOYSA-N 443.485 0.582 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 763886083 QADRHZYCIHPTNO-UHFFFAOYSA-N 448.505 0.071 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1N1CCCCC1=O 763892290 XAAJIRIEDUOGLD-UHFFFAOYSA-N 442.476 0.812 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)c1 763941560 QZGGKLXDUMYTIZ-UHFFFAOYSA-N 447.292 0.558 50 20 ICGD CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763999936 XXGGRZOSSRARTR-VIFPVBQESA-N 436.412 0.292 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 764426671 VRJVUGNOCMOFCP-CQSZACIVSA-N 446.382 0.043 50 20 ICGD COc1nccnc1NNC(=O)CNC(=O)c1ccccc1I 764470343 YKHWYMDXGZAIGP-UHFFFAOYSA-N 427.202 0.963 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cccc(C(=O)O)c1 765119136 QSNRAHOSYQUVEG-UHFFFAOYSA-N 446.485 0.152 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CSc1ccccc1O 765248094 FQGUJMRRFRKDKO-CQSZACIVSA-N 427.490 0.920 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3Cc4ccccc4C3=O)CC2)cc1 765749685 QDQHDGYHHDFTJK-UHFFFAOYSA-N 435.528 0.916 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cnccn3)n2C)cc1OC 768406434 GQYYAXAVBXPYPA-UHFFFAOYSA-N 429.462 0.843 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2c1=O 768901354 VCDQVYLJQMRTDQ-QFIPXVFZSA-N 448.439 0.546 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1O 771607320 LWTIBNPVTGGJSE-UHFFFAOYSA-N 441.849 0.458 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771884113 XQTZPANPBGTQER-AWEZNQCLSA-N 441.506 0.446 50 20 ICGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 771981139 SZBQJDLTKYIWMN-UHFFFAOYSA-N 429.477 0.773 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)c1 772088766 PUBHCADCTBPMSC-NSHDSACASA-N 442.494 0.755 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772197035 CRTIMGTXRBOKMM-UHFFFAOYSA-N 438.893 0.634 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C[C@@H](C)O1 779371418 SFQZMJXLUPJNNH-DTFBLWLJSA-N 427.571 0.359 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783264366 NQVUGJAXAKSGRJ-UHFFFAOYSA-N 448.505 0.600 50 20 ICGD CCCN(C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 783999463 OMMNYHPVXWDDCI-UHFFFAOYSA-N 431.493 0.656 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 790391379 IMQSYULWWYNESP-MRVPVSSYSA-N 444.304 0.576 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792570314 GFICAYKJKOVBPW-UHFFFAOYSA-N 435.414 0.545 50 20 ICGD CCOC(=O)c1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)on1 792871101 DQFVLBUGKXCXKH-UHFFFAOYSA-N 436.446 0.636 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc(Cl)cc1C(N)=O 793022365 WESCCJNAZWIQQE-UHFFFAOYSA-N 438.799 0.752 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)Cn2ccc3ccccc32)cn1C 808089759 XKECFDZRWGFPFL-UHFFFAOYSA-N 432.458 0.735 50 20 ICGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 812533757 FZKXIRWQVXGGDO-IAGOWNOFSA-N 440.566 0.367 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)cc1 812731672 QBSAAAWRNXSITN-UHFFFAOYSA-N 447.477 0.776 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)c2)nn1 812980454 VQYGDLJJFSDIDB-UHFFFAOYSA-N 426.364 0.593 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc2C1=O 815751932 VBXRKRZECUGYBO-UHFFFAOYSA-N 445.457 0.245 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cnnn3C)CC2)c1 816772124 NWYDCYRFSMADFT-UHFFFAOYSA-N 449.537 0.188 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919689680 BMIATTDFXUHIET-GFCCVEGCSA-N 443.460 0.203 50 20 ICGD COc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884088 DTRDTTYHIKAQIM-AWEZNQCLSA-N 427.479 0.574 50 20 ICGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 919923617 KEJCOAOHXFKRHQ-UHFFFAOYSA-N 439.538 0.674 50 20 ICGD CCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 921041050 VVNNSEDYOGJKKP-UHFFFAOYSA-N 425.511 0.040 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 921165740 ZYUJJEBCHZAROP-UHFFFAOYSA-N 436.471 0.216 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2CCS(=O)(=O)CC2)CC1 1319495708 ZREKKCOJEGIXPP-UHFFFAOYSA-N 432.543 0.789 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372597 MVLHNMYEBAURBO-QXATTWAWSA-N 447.536 0.626 50 20 ICGD N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771892 RFYPOMDHJPVPSE-OLUVUFQESA-N 425.324 0.817 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780849921 MBIYFLWCANCUMF-HSZRJFAPSA-N 438.289 0.522 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783341372 BNMBCXXSOOKHGT-SWLSCSKDSA-N 425.345 0.425 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1783793103 VAJWLHXHPZBEKU-DEOSSOPVSA-N 448.328 0.932 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C(F)F 1783935813 WZZGMFQBWRBVIE-LJQANCHMSA-N 442.467 0.403 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(-c4ccccn4)nc3)C[C@@H]21)[C@H](O)CCl 1784086066 CWWFHAICKJYRSO-PLYYQAHHSA-N 445.907 0.732 50 20 ICGD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc(F)c1F 1785056402 JJGCQJAHZJNGPU-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD CNc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786984622 WOXBNCYCMVAQJY-YYWHXJBOSA-N 437.305 0.315 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794712801 IVOJESUNKLRAQN-XFMPKHEZSA-N 441.916 0.745 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190073 UMXCYTJFZXWXHF-REIKKDASSA-N 439.233 0.833 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012267 LHYQYDRUUNCIPC-WYFGTUCQSA-N 430.259 0.695 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1CCN(c2ccccn2)CC1 1799087213 DSOVAHIELOWOKJ-ZMMAXQRCSA-N 436.940 0.487 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2)NC(=O)NCc1ccccc1 1799099197 TWTWTGVQTSXGDE-OPVJXMOQSA-N 429.521 0.332 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1802255801 PZNHGEPFIVCMGU-CVYSASLGSA-N 442.321 0.598 50 20 ICGD CC(C)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807320850 WZMYRSYYGGXCNX-UGKGYDQZSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376187 XIKCTTZBMKDXDM-IWTFSIHTSA-N 449.316 0.649 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810234385 JRPIGBMLKXAKQX-OEAJRASXSA-N 425.917 0.395 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncnc2)n[nH]1 1816508172 DABYZVKZLUHOJR-INIZCTEOSA-N 435.448 0.818 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972076 GHTPJXKXTCNRAT-TZMCWYRMSA-N 443.342 0.941 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827254895 BELWBXFLPWJVEF-GFCCVEGCSA-N 445.549 0.708 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827698389 ZZIPTNDQUXBPGT-QFBILLFUSA-N 437.585 0.846 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828783234 JTHARLJLJIJEPQ-QJWGWKRISA-N 448.394 0.758 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712425 CYUIFDDHLPRGHN-VQIMIIECSA-N 443.953 0.884 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)n1ccccc1=O 1833312631 TWILGDAYGCSQMG-MAUKXSAKSA-N 438.956 0.581 50 20 ICGD CC(=O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833409192 SBQDFJUJGBBWIJ-UHFFFAOYSA-N 443.353 0.167 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)N1 1834523877 JORAGMBSYMWVFW-HNNXBMFYSA-N 429.359 0.622 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826679 TTYYZSXHMXAHSK-GOSISDBHSA-N 441.326 0.651 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)CC1 1835809856 IWRQBVKKGQBIIE-CRAIPNDOSA-N 440.976 0.740 50 20 ICGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccccc1 1835823331 RBCQLTBRUPYIEX-HNAYVOBHSA-N 430.332 0.989 50 20 ICGD CCn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cc1C 1835989203 FPMQLHRWNGZGAS-SFHVURJKSA-N 425.961 0.996 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1836719089 MHYJDNYWBDEBEQ-INIZCTEOSA-N 430.929 0.928 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837059887 CMBKSRGFLNLGJY-DNVCBOLYSA-N 439.921 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3ccnc3)CC2)CC1 1837535028 ZDZYZIHJHNXOLI-UHFFFAOYSA-N 434.541 0.255 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cn1 1839155177 MJTVQIMVJTWVPC-MSOLQXFVSA-N 433.336 0.655 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030719 UTKGDPMAPGKVQT-KSSFIOAISA-N 448.358 0.533 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1840465548 DPPGXNZKUUXTLP-GOEBONIOSA-N 433.278 0.110 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840725389 PUTCYLLOJLDPCH-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD Nc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)sc2nccnc12 1843011034 HMRIXHIUALPVHK-UHFFFAOYSA-N 437.290 0.084 50 20 ICGD O=C(Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1)C1CC1 1843011878 FQNLZTDJCNIYRP-UHFFFAOYSA-N 447.300 0.846 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ccc3nc(Br)nn3c2)C1 1843127296 CIYIIZHCCQXHIV-NSHDSACASA-N 442.701 0.909 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(Cl)c(O)cc2O)C1 1845286330 ADEXDMSYAFZMIB-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)c2n1 1846384883 VFOHVNZBFNJUJK-UHFFFAOYSA-N 427.509 0.536 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc12 18398704 BHVXOXWOWWJQQL-UHFFFAOYSA-N 439.384 0.618 50 20 ICGD NC(=O)c1cccc(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 726717693 BBDNQUIQCFHCBG-UHFFFAOYSA-N 438.532 0.871 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1 728214599 BMHHBBMXCRBQQY-INIZCTEOSA-N 437.566 0.714 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731761353 HKXSVNFHVRQURN-UHFFFAOYSA-N 426.539 0.467 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734239551 RVMMFZAZWZHGBN-RVDMUPIBSA-N 448.459 0.974 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 737757055 YRUWOKGCQHYPDV-UHFFFAOYSA-N 439.515 0.753 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)c2cccc(C#N)c2)c(=O)c2ccc(C(F)(F)F)nc21 741851305 YBGNNHTTYCJORT-UHFFFAOYSA-N 446.345 0.447 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1 744569847 BLHCNQVBCWZPJT-UHFFFAOYSA-N 425.488 0.729 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CSc2nnnn2CC(F)(F)F)cc1 744967300 VYQOUXXWFIVTAU-UHFFFAOYSA-N 443.367 0.204 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)CCCc3ccccc3)CC2=O)c1 746210720 XTIRUMJFMAOVNQ-INIZCTEOSA-N 444.513 0.857 50 20 ICGD Cn1nc(C(=O)NNC(=O)COC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2c1=O 748516643 FTOBTGZNADMGEE-UHFFFAOYSA-N 431.449 0.330 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1cccc2ncccc12 749909284 YQUXYJZJBVQEOS-UHFFFAOYSA-N 442.443 0.874 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 755084991 QPFDUJHJNIAMHM-RBJBARPLSA-N 436.266 0.528 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C=C1CCC1)c(=O)n2Cc1ccccc1 755108756 MDJXBLJFQIWJAA-UHFFFAOYSA-N 436.472 0.686 50 20 ICGD Cn1c(=O)oc2c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cccc21 757795951 QQUJMTUBZKYFTO-OAHLLOKOSA-N 427.369 0.276 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1OC 759688518 IJFWEIOMPWTNPF-UHFFFAOYSA-N 435.458 0.474 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n1 760280131 RBXNWJBSCPJJPQ-UHFFFAOYSA-N 448.487 0.818 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)Cc2ccncc2)cc1C 760393380 KHVYRBMGJMGXSK-KRWDZBQOSA-N 447.517 0.001 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)Cn2cc([C@H](C)O)nn2)c2ccccc2c1=O 762965403 XESUVFHXGWWXBA-ZDUSSCGKSA-N 427.465 0.693 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1 763680789 HRTMDAQUBWSZTR-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2o1 763718902 RMIUAULUFOTPFB-UHFFFAOYSA-N 445.457 0.786 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)COc1ccc(F)cc1Br 763825375 VJUNFQFVTQTSJO-UHFFFAOYSA-N 425.214 0.939 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 763930594 BBRZAMJPEGFBRV-MRXNPFEDSA-N 430.848 0.570 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763978594 MJTHRLMHZSOLLH-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005542 ABPRKRHXUSXIAC-UHFFFAOYSA-N 443.412 0.799 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 764152726 UNMPNWYLWFAJNM-KRWDZBQOSA-N 436.424 0.820 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 764211329 KIXOELUJQGTAHM-UHFFFAOYSA-N 434.474 0.530 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 764286644 ZGSWVRUXCQSFGC-UHFFFAOYSA-N 441.492 0.553 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 764545000 PZNPOLGFIUUQFG-LLVKDONJSA-N 440.441 0.335 50 20 ICGD O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)NNC(=O)c1cnn[nH]1 765431993 HNTMJDFZHZIGNS-UHFFFAOYSA-N 425.434 0.653 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(C)(C)O 768245416 AMMDNMTXLVOZLM-OAHLLOKOSA-N 429.495 0.069 50 20 ICGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)NCc2ccco2)C1=O 771252195 PWOFRZYRZCXQFV-HXUWFJFHSA-N 429.433 0.894 50 20 ICGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771845438 KJHVRWSRVJQRPJ-CQSZACIVSA-N 426.539 0.635 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)NNC(=O)Cc2nc(C)cs2)c1 775335500 HKSGOVQRENENMG-GFCCVEGCSA-N 425.536 0.400 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 779675295 BJQMCGGZARAOBK-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCC[C@@H]1CCO 779710393 FVDFPYBUBXXFKE-RHSMWYFYSA-N 440.522 0.203 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 780974369 VPTPDKXPJUCPEW-UHFFFAOYSA-N 447.496 0.440 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2)o1 784003467 GUKOVOROANQGSX-UHFFFAOYSA-N 428.430 0.622 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1C(F)(F)F 784232876 DRZQKCXNRUVYFS-UHFFFAOYSA-N 447.377 0.990 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785067150 HPBKNGIGHITOJK-UHFFFAOYSA-N 425.401 0.215 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCS(=O)(=O)C1 785991912 HNKIAHNGPVQEAJ-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n1 789740569 WQXJPENEBSJTSV-GFCCVEGCSA-N 443.338 0.565 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 792300865 MVHHZEMODFGWBP-UHFFFAOYSA-N 429.518 0.601 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3c2CCO3)c1 796989504 FTAFYRZWKAHIEQ-UHFFFAOYSA-N 432.458 0.272 50 20 ICGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 800830608 DBBQUBNMQUHLFZ-AWEZNQCLSA-N 430.490 0.988 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)cc(OC)c1OC 802032397 QWLQEIIITKSPHS-LBPRGKRZSA-N 429.433 0.735 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC 802082255 CGEXMLQDVLJSOQ-UHFFFAOYSA-N 438.890 0.466 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806974988 JPYDEKLFVSTLPP-UHFFFAOYSA-N 446.366 0.783 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 807737661 NEBVTUNSZXWXPG-ZIAGYGMSSA-N 432.389 0.074 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H]1CCOC1 812225282 BXMJVBZBEWRNOR-MJBXVCDLSA-N 432.543 0.690 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H](O)c1ccc(Cl)cc1 813486771 BCRGFPXLWQBBLM-IBGZPJMESA-N 430.892 0.979 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n1 815565952 FMNVLZIRMMUBGV-UHFFFAOYSA-N 445.457 0.630 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc21 815779249 XAMXPWHVKCYSBF-QGZVFWFLSA-N 444.492 0.132 50 20 ICGD N#Cc1ccc(OCC(=O)NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc1 864236945 CMRCRXDRPGMRGV-UHFFFAOYSA-N 432.440 0.932 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(C#N)n1C 873772542 IKPMPAGJQCATAT-LZYBPNLTSA-N 440.485 0.824 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)Cn2nc3ccccn3c2=O)c2ccccc2c1=O 879138982 LDLSUIYYKRCNHY-UHFFFAOYSA-N 449.471 0.857 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1 914015751 UVKOQNXKTFFYDH-LEHPZIBWSA-N 439.428 0.993 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)CN1CCCC1=O 915299636 UDIBEOBDJCEKAK-FQEVSTJZSA-N 446.529 0.913 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 916235844 YCKUJASPLXXVJC-SFHVURJKSA-N 444.579 0.529 50 20 ICGD O=C(NCCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916514979 WHSFGWZSTOPWKF-UHFFFAOYSA-N 435.492 0.429 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 920931130 CLRQJQCLAQYNKQ-UHFFFAOYSA-N 441.491 0.202 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)NNC(=O)[C@H]1COc2ccccc2O1 928978136 VCNFEFJTGDMABN-SUMWQHHRSA-N 443.387 0.782 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1319012802 VPXCSBQMAZBUPA-GOSISDBHSA-N 428.474 0.476 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 1321037411 MCAZSBAFEKAZRE-OKILXGFUSA-N 430.465 0.994 50 20 ICGD CCOc1ccc(OCC)c(NC(=S)NNC(=O)Cn2ncn3nccc3c2=O)c1 1330915456 KJOJEAARDLVWPI-UHFFFAOYSA-N 431.478 0.706 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937811 HYENUEOOXJNQRN-IFXJQAMLSA-N 440.953 0.739 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782175380 KOGAHWVELIBFQY-PMUMKWKESA-N 434.990 0.238 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782961248 UZCXNKDZLXBHLQ-UHOFOFEASA-N 427.350 0.630 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783349462 MDPMKMVPBWCXQO-MLGOLLRUSA-N 435.388 0.474 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1783933796 HBHZXDIULZINLW-OAQYLSRUSA-N 434.562 0.982 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3O1)CCO2 1783938069 RHGBYAIVLAAASD-XXBNENTESA-N 444.532 0.583 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1783939443 FXLGDNPCQKRUKO-VQTJNVASSA-N 428.480 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(O)cc3O)C[C@@H]21)[C@@H](O)CCl 1784092514 JITLKNOOYGTILN-JIVACREVSA-N 433.288 0.944 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784103985 NAMMHOLJXAYQOE-ZJSXRUAMSA-N 434.301 0.540 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1784709511 PGFUYODZINDGMD-XCGNWRKASA-N 429.521 0.955 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788523678 ANAJJFYWEVUWLN-VMXMFDLUSA-N 426.322 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(=O)cn3)cc2)CCC1 1790103921 SULRZABKHLWYDM-UHFFFAOYSA-N 426.477 0.891 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1791254941 XGUDTPIZQBGVFC-LHEWDLALSA-N 446.957 0.022 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)C1 1793242380 NZAPBNRCKGVDQZ-JKJDWNRSSA-N 445.944 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1796441762 ZNJAFBVVVQGBEK-GBQKICQVSA-N 443.460 0.109 50 20 ICGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798521498 LAWBUAUZXAOHAN-VLWCASSMSA-N 435.433 0.494 50 20 ICGD CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095000 PEHQOWJTXSKPSA-RMFSNUHRSA-N 431.537 0.722 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1800983352 ZCXHPFSAAPJUEO-XMTFNYHQSA-N 437.924 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1Cc2ccccc2C1 1802179739 OTLYQKPQPLBVMB-IRJINJETSA-N 442.560 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCN2C)[C@@H]1c1cccnc1 1803941788 MGRLZNBGIUYOQN-WFXMLNOXSA-N 430.553 0.555 50 20 ICGD O=C(COc1cccnn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972656 LEWFSXDUGHTJBL-UHFFFAOYSA-N 438.293 0.080 50 20 ICGD CCn1nccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470530 CPRUPDKBEWZGRS-KRWDZBQOSA-N 436.281 0.926 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)O1 1818872114 NTEHXPYOCIUPKD-FSPWUOQZSA-N 426.282 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825998009 BQTDPEQJYGHRGT-QWHCGFSZSA-N 437.714 0.303 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1827000388 UWGKIBQUQYFHGI-SFHVURJKSA-N 426.282 0.342 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1830538137 WOUXTIFLZIILMT-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2)C1 1830720388 YRRCMGDCIOBVAF-IKVWTGGYSA-N 440.899 0.985 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831477427 BKSZFFHVAWZDGX-PXAZEXFGSA-N 434.331 0.141 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831477745 CVVRMWHZHPOMDM-BLLLJJGKSA-N 438.294 0.048 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832838521 QFXHHEBFUZBONM-OXQOHEQNSA-N 443.903 0.864 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250134 WUFWLBCMCMZRMO-GUYCJALGSA-N 429.315 0.664 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798407 RPYHFXVONFIISF-QGZVFWFLSA-N 445.369 0.365 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1 1835737210 WTSKIPSPCWWTOC-UHFFFAOYSA-N 440.504 0.777 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849912 NTSDDPWXNXQZDW-ZBEGNZNMSA-N 431.287 0.216 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837114015 XQCJCGFKVBEPGZ-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCCC1 1837455959 GWCRJYMQHPXSBT-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD CC1(C)CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837460951 LZOAUJUKISVAPR-JOCHJYFZSA-N 445.520 0.191 50 20 ICGD O=C(c1ccc(O)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838651958 HBZYMJQPNNVQHX-CZUORRHYSA-N 432.246 0.548 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839148007 JORBEODYLXMBED-UGSOOPFHSA-N 428.873 0.035 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705465 IDOIRSAGPBGGJH-KEYYUXOJSA-N 444.330 0.327 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030717 UTKGDPMAPGKVQT-KBXCAEBGSA-N 448.358 0.533 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1840151381 ACCRDQJHTCKDCE-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD CN(C)c1cccc(OCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1841907862 WEQOZIZGKFZPLF-UHFFFAOYSA-N 437.305 0.328 50 20 ICGD COc1ncccc1CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842047782 LSRAOYCSEZQWHE-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014173 HJWJUIJOPQGGQF-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847644123 LRHTTYIJKGELET-XGUBFFRZSA-N 433.933 0.718 50 20 ICGD COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847862335 AEJGTNNHMUPAKJ-NEWSRXKRSA-N 431.537 0.817 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1=Cc2ccccc2OC1 15633297 JBBHGQKJYJHBAM-UHFFFAOYSA-N 443.481 0.945 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 726612944 ALRWCGJGHCXZPL-LBPRGKRZSA-N 446.913 0.083 50 20 ICGD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728384256 CMRXPLYREUFDBB-ZFWWWQNUSA-N 443.547 0.445 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2c(=O)nc(O)c3ccccc32)n1 728720709 LDACLDVNBLZZMX-UHFFFAOYSA-N 445.457 0.190 50 20 ICGD CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 729221230 LGLDWZMFKOBQGO-UHFFFAOYSA-N 448.505 0.961 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3scnc3C)n[nH]c2n1 729454799 FQZYZMRYJAZBKJ-UHFFFAOYSA-N 436.527 0.123 50 20 ICGD O=C(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732325153 XSWIVBBUASIUMW-QWRGUYRKSA-N 432.311 0.356 50 20 ICGD CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 732409292 SWOIJHDBAUNASU-FARCUNLSSA-N 427.373 0.367 50 20 ICGD Cc1ccc(F)c2c1C(=NNC(=O)C(=O)NN=C1C(=O)Nc3c(F)ccc(C)c31)C(=O)N2 732710901 XDEUBCIYAVMOKU-UHFFFAOYSA-N 440.366 0.827 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCOC[C@@H]1CCOC1 740904031 ZSRKKBOZOSEIPI-AWEZNQCLSA-N 427.527 0.675 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744966877 JCBXUIYKETZKBJ-UHFFFAOYSA-N 436.428 0.709 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746747153 LPYBKRIYFYRTPB-UHFFFAOYSA-N 430.490 0.494 50 20 ICGD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(=O)N1CCCC1)C2=O 748247044 JQSXZNXVWLQPOS-UHFFFAOYSA-N 435.525 0.673 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Cl 748247258 WSEJWVUTGXBDTG-UHFFFAOYSA-N 430.914 0.800 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C[C@@H](C)O1 748459461 DBDWFWDZKMSZIR-GASCZTMLSA-N 431.493 0.389 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 748628618 WPPPHKQCJPMPGB-OAHLLOKOSA-N 442.538 0.743 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 749838585 QDZDFKLQWSCOPX-UHFFFAOYSA-N 428.879 0.778 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1OC 756081649 VLIPYWKGJVUKOU-UHFFFAOYSA-N 439.494 0.347 50 20 ICGD NC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 757700339 PYVHQBPWCMMZJJ-UHFFFAOYSA-N 446.489 0.822 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 761670050 QTUFGTXDUSPRPK-UHFFFAOYSA-N 434.522 0.903 50 20 ICGD CCc1noc2ncc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc12 762444901 WHYZXVGVUGBFKJ-UHFFFAOYSA-N 431.478 0.801 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572647 TUIIKEMOHGWZIC-OAHLLOKOSA-N 444.469 0.580 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763681045 JAIPGFJKPYYCFQ-UHFFFAOYSA-N 441.444 0.994 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1 763810869 CXLQHKWRPNJSMM-UHFFFAOYSA-N 426.351 0.884 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)cc1 763876468 DKHKMUBNPVQQML-ZDUSSCGKSA-N 426.429 0.802 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)n1 763880148 BLPSSUCCBRENIZ-UHFFFAOYSA-N 443.443 0.660 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC3CCCC3)cc2)n(C)c1=O 765731510 RWQHSICKTISTBQ-UHFFFAOYSA-N 440.460 0.216 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 767851733 SXEONIUQGXKBAE-UHFFFAOYSA-N 426.289 0.686 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 771318444 WDRWDTJIZSYFED-UHFFFAOYSA-N 448.432 0.370 50 20 ICGD Cc1c(C(=O)O)cccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771606844 YKWCHEDBZVYZJA-UHFFFAOYSA-N 425.850 0.973 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 771874632 LBCXKZWWPHVGDE-CYBMUJFWSA-N 427.479 0.119 50 20 ICGD COc1ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)NC1CC1 771952698 MDKCVZZOYIDXFV-GFCCVEGCSA-N 441.506 0.875 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 778448412 WLPNUSHDWCQUQC-JHJVBQTASA-N 442.538 0.565 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 778720959 GAAQMVBTNFNHHH-SNVBAGLBSA-N 427.408 0.925 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1cccc(OC(F)F)c1 782897624 RHKGHASPZCUURL-UHFFFAOYSA-N 441.416 0.981 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cncc(Cl)n1 783266091 NOCXRXPVJXCMGR-UHFFFAOYSA-N 441.901 0.528 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nc(C)n1 783324738 BOAQUTPLSVVMIV-UQQQWYQISA-N 445.505 0.988 50 20 ICGD CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783996670 HYBKBWMWHCGTAD-UHFFFAOYSA-N 438.506 0.832 50 20 ICGD COC(=O)CCSCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999339 LYBXQTTXAHHUGK-UHFFFAOYSA-N 436.490 0.191 50 20 ICGD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001732 CLLWYZQKWOJATP-UHFFFAOYSA-N 431.405 0.388 50 20 ICGD COc1ncc(NC(=O)C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1C(N)=O 785100261 VCARZXRXTUIOOI-UHFFFAOYSA-N 448.386 0.441 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cc(C(F)(F)F)ccc2F)cn1 785166469 CLGGGYDKLASMOF-UHFFFAOYSA-N 446.361 0.885 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 786724028 UGHKJLLVEVBIOT-VHSXEESVSA-N 443.931 0.001 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 787890329 YMYUGCZGNWZWBI-GHMZBOCLSA-N 447.897 0.274 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1C(N)=O 789756422 DITVMSOOPZEBGX-UHFFFAOYSA-N 447.473 0.150 50 20 ICGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)c1 792030996 SKDHTMWAZWSKFY-GOSISDBHSA-N 437.416 0.634 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 794195385 GXNDJVDEXCPXNO-UHFFFAOYSA-N 433.490 0.269 50 20 ICGD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794598944 PKELJWKCVZRATQ-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD C[C@@H]1NC(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)=NN(c2ccccc2)C1=O 794732109 VBCBKXZIBWMWEP-ZDUSSCGKSA-N 430.490 0.718 50 20 ICGD COC(=O)c1ccc(Cl)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 794851739 ROCHTCNSUQYSCI-UHFFFAOYSA-N 425.854 0.161 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797445886 NQKCSLPBRYJJHP-FQEVSTJZSA-N 428.470 0.774 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)n1cnc(C#N)n1 798824006 WIVZBIYGOBBXGK-ZDUSSCGKSA-N 431.478 0.347 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 799258461 APYYIQVFZJMNLF-SFHVURJKSA-N 435.440 0.876 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802097998 XJWHIZNUAPSURT-NRFANRHFSA-N 437.412 0.962 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977883 COPGPXNDKMASBA-JKSUJKDBSA-N 428.489 0.750 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c(Br)n1C 808096142 CJNZQNSUMDRQMZ-UHFFFAOYSA-N 434.228 0.728 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 810384858 JGESPQBRYYERMW-HNNXBMFYSA-N 431.376 0.847 50 20 ICGD COc1ccc(C[C@@](C)(O)CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 811871310 DINPPKSQDFDLIG-HXUWFJFHSA-N 434.449 0.351 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)COc2ccc(C)cc2)cc1S(N)(=O)=O 915593777 KNWAKAFGFDSMPH-UHFFFAOYSA-N 425.438 0.559 50 20 ICGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CN1 916105420 YSSHBMLQVHBEDG-MRXNPFEDSA-N 430.486 0.452 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916144891 VHKOIUMYHMEIGN-QGZVFWFLSA-N 436.411 0.341 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920826781 PLHHCZKNOMVELI-UHFFFAOYSA-N 430.486 0.549 50 20 ICGD CN1CCN(c2ccc(/C=C(/C#N)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2F)CC1 1251126916 QQXXFSDHXWOAMB-UVTDQMKNSA-N 426.452 0.347 50 20 ICGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)C1CCN(c2ncccn2)CC1 1318327153 NJIBRVVHCCUMJS-UHFFFAOYSA-N 445.431 0.182 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cc(C)ncn1)c(=O)n2Cc1ccccc1 1327774266 ZEPNAXATMHBWOD-UHFFFAOYSA-N 446.471 0.677 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1778091591 XLQOOLXGFUFZGR-SOPRMWLRSA-N 428.493 0.938 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778701355 BMJZKCYCNBJRBN-NRFANRHFSA-N 439.302 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1779032261 HSFIXXQQHOVDDM-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779204897 YXOMANGIFGMBFP-MLGOLLRUSA-N 429.246 0.541 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779471940 GUJJBUIIDAEMQF-CSODHUTKSA-N 426.558 0.687 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779725656 KCVFRPQYTWBWBB-QGZVFWFLSA-N 429.930 0.613 50 20 ICGD Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn2[nH]cnc(=O)c12 1780021841 PIWBDBIHHAYIFM-QGZVFWFLSA-N 428.276 0.578 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1782056988 OQMYUYMWWHTABY-HSZRJFAPSA-N 433.273 0.304 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1O 1784092630 RUEVIYXJTGZKHE-USJZOSNVSA-N 439.896 0.544 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(C)n1C 1789120750 MWWCIUCJSWHRAG-YYWHXJBOSA-N 439.321 0.229 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1ccc(F)cc1 1792979078 SYTUYXDSUXMRDX-WTNVTLLGSA-N 441.887 0.192 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793366165 HFXDQCJOEFMCKY-YHQUGGNUSA-N 439.372 0.288 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21 1793959063 WXPFOAIIPXPOTC-MUJYYYPQSA-N 427.509 0.443 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(S(C)(=O)=O)c1 1794626448 PXLUTMHFCBYMSG-HLPPOEQASA-N 429.926 0.991 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2 1796439542 JMCRQFNJAMNPJF-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797303169 MUMVAEIDOKZZAS-ZMMAXQRCSA-N 428.961 0.148 50 20 ICGD O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1798099659 JQOLKNXPRUZWRV-IWXIMVSXSA-N 431.218 0.069 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CO)c(F)c1)C2 1798443524 FPMMQYMLGXLCSR-MUJYYYPQSA-N 441.463 0.882 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCn1ccnc1)C2 1798443679 VFEFQOJUQHXGHA-MUJYYYPQSA-N 425.493 0.614 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2)[C@H](F)Br 1799349296 WCBRFNQFBBXIJG-VZAMPYOESA-N 440.273 0.552 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1800640374 UTONAABZWMNMDS-AYRXBEOTSA-N 426.311 0.762 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(OC)c1 1801011782 BZSHTYYOHCDSAN-USGNIVHTSA-N 448.520 0.280 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801321964 IIPSSYNPGUASJP-MFCZKXCZSA-N 449.577 0.525 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1 1804430532 KYPBGDJTUZFVKV-HTAPYJJXSA-N 441.536 0.816 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806776683 LGLLBTFXTJUGQF-YLJYHZDGSA-N 425.294 0.242 50 20 ICGD O=C(CN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814482492 PSAYNEONIXQCBF-SFHVURJKSA-N 425.298 0.491 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)Br)CC2)C(=O)O 1815086369 IMJLDSJPXYEIFW-KHQFGBGNSA-N 433.328 0.901 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)c1ccc(B(O)O)cc1 1815348623 UCXUMQRJFVNTSC-BPUTZDHNSA-N 443.334 0.600 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816757081 YRULOEKGPNPGJG-SLZMIMFISA-N 434.497 0.894 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc2n(n1)CCNC2=O 1817117924 OSOFVIDNFBAPMF-JVXZTZIISA-N 426.861 0.843 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cs1 1817474948 JFJUWVRLHUWFOQ-OAHLLOKOSA-N 440.294 0.748 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)N1CCN(C)CC1 1822697020 IPQQSSHVQJCIAQ-OBJOEFQTSA-N 429.974 0.291 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cncn1 1822772553 WERFVIGAAIWODR-UKRRQHHQSA-N 431.501 0.628 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cccn1 1826855853 WCGMQYMFOWEREV-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827017472 JPHXJSXKUBYDJT-OAQYLSRUSA-N 429.370 0.988 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051797 FTRZIHCKDZRRCB-UZLBHIALSA-N 441.337 0.290 50 20 ICGD CNC(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923717 VTUAWTZHZQWUOJ-QGZVFWFLSA-N 430.509 0.055 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538038 UEGPHDXRCGLONK-CXAGYDPISA-N 435.315 0.427 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538393 DZLRWUJFEQZTJO-MEDUHNTESA-N 447.355 0.948 50 20 ICGD Cc1ccccc1NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722422 BRSADAPTVXPNLL-FXAWDEMLSA-N 425.913 0.463 50 20 ICGD O=C(c1cc(C(F)(F)F)c[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728125 PTKSVIOMDPJWEV-CJNGLKHVSA-N 439.818 0.703 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832481070 RIQYCDXBDOIJKT-JSXRDJHFSA-N 426.322 0.492 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033099 MRBSJSNZVGSTQI-LIRRHRJNSA-N 443.953 0.952 50 20 ICGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1 1833054361 WZXAEIWZWISDKW-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD CC(C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800005 ODBSZNSPQJATHN-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800201 YSVBVZQRRWIUCC-FQEVSTJZSA-N 447.410 0.506 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819643 XCKMOIXORCTTFR-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cncn1 1834826273 ITUZLIYFIIWLHX-CZUORRHYSA-N 430.303 0.081 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835991146 PWDDIEVXCUMJKH-LPHOPBHVSA-N 428.917 0.063 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198155 VYLUAUSXWVCEJR-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839541073 MLEHKVRFCRYKDU-OXJNMPFZSA-N 434.880 0.300 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840037135 UTLDKOVGHVCJCW-NHYWBVRUSA-N 448.343 0.137 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)cc1 1840187250 OZDDUQSEKNWYQS-DNVCBOLYSA-N 447.315 0.989 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cn3c(F)cccc3n2)C1 1845647314 PCRXFBOATWXKCC-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845870804 DKZHBJXBSTVHBZ-OVCLIPMQSA-N 428.443 0.915 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386496 SCQIWJMOCILDIW-HNNXBMFYSA-N 439.557 0.866 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1846549904 KSYQSTCBSILEAU-NXYZXBHKSA-N 437.504 0.852 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1847060363 QMKFKDPTRPXOOK-INIZCTEOSA-N 429.521 0.381 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847832923 PBCMKYYLYZWCCU-MCNSAMFCSA-N 445.564 0.941 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2c1=O 17162034 WRSLMCAIJPBFHN-UHFFFAOYSA-N 440.460 0.432 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)nnn1-c1cccc2c1CCN(C)C2 731461248 PKJJCDJCVJWWAU-UHFFFAOYSA-N 437.460 0.348 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 742452063 GDONPTMVUFTMOD-CYBMUJFWSA-N 426.543 0.579 50 20 ICGD Cc1ccc(-n2c(NNC(=O)c3cn(CC(N)=O)nn3)nc3ccccc3c2=O)c(C)c1 742672526 MBVHAJOITLVBDI-UHFFFAOYSA-N 432.444 0.836 50 20 ICGD CCOC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)nc1 744386229 HPQNAVRMFORPDU-UHFFFAOYSA-N 436.472 0.713 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744553212 DUTLHRRWGCAJMP-UHFFFAOYSA-N 442.453 0.641 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1C 745977289 SOQUJARZIVESCG-UHFFFAOYSA-N 447.473 0.726 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746385750 LKFFMLXALUSZAF-SJORKVTESA-N 448.520 0.181 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748045703 DFQYKWUWZSQGPZ-UHFFFAOYSA-N 425.445 0.343 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)CNC(=O)c1ccco1 749367088 OJPFUTMNTIUPCT-MRXNPFEDSA-N 429.408 0.525 50 20 ICGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1nccn2cnnc12 749448846 LFMWLLCLEYRHTG-ZDUSSCGKSA-N 439.436 0.004 50 20 ICGD COCCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C 751281162 BNHVTAPGEFKLAR-UHFFFAOYSA-N 427.504 0.821 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccco2)cc1OCC 751371298 JDEVCSUCTBSTTH-UHFFFAOYSA-N 440.478 0.886 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1csc(N2CCOCC2)n1 751607540 TVUFOLVNFVWEIY-HNNXBMFYSA-N 439.538 0.994 50 20 ICGD C[C@@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCS(=O)(=O)C1 752688579 JVYHVYUDURGPAL-GFCCVEGCSA-N 430.961 0.061 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 755269251 WRDVFLJWMXYAIV-LLVKDONJSA-N 446.323 0.629 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 756036664 INNFMSGSHCHECC-UHFFFAOYSA-N 443.485 0.592 50 20 ICGD CN(CC(=O)NNc1ccc(C(N)=O)nn1)S(=O)(=O)c1ccc(Br)cc1 757407797 LGQZLQRLSWSZCF-UHFFFAOYSA-N 443.283 0.102 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)Nc1ccccn1 758840652 LHSIGARCCROOHS-INIZCTEOSA-N 445.501 0.410 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 763569090 WHWUAVSZVARIOU-UHFFFAOYSA-N 438.412 0.904 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc21 763573243 RBOPINWPOCPWHH-GOSISDBHSA-N 439.428 0.609 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccccc2F)c1 763574626 GZSKVLDXPGPRHV-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 763717487 VQXSUJMOUNCQBG-UHFFFAOYSA-N 448.501 0.463 50 20 ICGD CCc1ncsc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763735747 LRFIPTUIIKNCSR-UHFFFAOYSA-N 439.519 0.421 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763842082 AYFSYVGWURQZHN-UHFFFAOYSA-N 438.437 0.241 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cccc1-n1cnnn1 764401847 SWQQEDLOCDUJIX-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cccc1-c1nnc2n1CCCCC2 764431564 DGLDOERBHVANEC-MRXNPFEDSA-N 442.476 0.481 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 765313713 NPHYHNFHORSQRF-UHFFFAOYSA-N 431.515 0.767 50 20 ICGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 766273888 AOGSIXNECNAJON-JKSUJKDBSA-N 437.522 0.330 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 767677411 RWRNVCVKMADOCY-NSHDSACASA-N 436.471 0.291 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(C)(C)O)CC2)cc1OC 768260239 UWAQQEJVHKIQBX-UHFFFAOYSA-N 429.495 0.023 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C(C)C 770571102 PKWFEUTWCVYKKJ-UHFFFAOYSA-N 435.506 0.868 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)N1CCCS1(=O)=O 772631394 QWWIKMOZKCCPEP-QGZVFWFLSA-N 449.533 0.799 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 772967173 NOBSPAWXRFIDPS-SNVBAGLBSA-N 431.836 0.514 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1cccnn1 773912216 FLMNMZSMKYRZQB-LBPRGKRZSA-N 446.411 0.551 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)[C@H]1Cc2ccccc2O1 777619231 FQOZBVKIKCJBGS-MRXNPFEDSA-N 448.413 0.865 50 20 ICGD COCCc1nnc(-c2cccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)o1 778540306 QDIYTPNLYVVUEY-UHFFFAOYSA-N 434.416 0.976 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)nc2ccccc21 782893648 KKGQJJSFXPBFAZ-UHFFFAOYSA-N 449.471 0.822 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n(-c2ccc(F)cc2)n1 784004475 XLNUXWLKSWBIQW-UHFFFAOYSA-N 444.448 0.897 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])s1 786874495 XAMCGKGOLREYLK-UHFFFAOYSA-N 428.448 0.969 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 793216956 IXVFQWBJDRKSAM-MRXNPFEDSA-N 443.416 0.114 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 795280016 BCYKFJNADRGXAY-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1-n1cccn1 797368783 GXUYUUVQDCHIPS-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 797789919 TYSNTOZWTXYJSA-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Br 799122903 IHORZYUJVSJZBB-LURJTMIESA-N 434.721 0.350 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(Cl)c1 802048159 LZEUGUAUZPWCOE-NWDGAFQWSA-N 428.898 0.837 50 20 ICGD CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 804535271 JUAUAJWBFNGPNF-MRXNPFEDSA-N 448.453 0.624 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 915686449 YYYAHTSHMWTENK-OLZOCXBDSA-N 447.435 0.636 50 20 ICGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 917391864 KIMIJOLIUDXPHU-LBPRGKRZSA-N 429.568 0.697 50 20 ICGD CCOC(=O)N[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918001583 CCSOCGTZCUXHGD-GFCCVEGCSA-N 426.499 0.545 50 20 ICGD O=C(NNC(=S)NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 920311625 JGCINEWDKSYQIZ-MRXNPFEDSA-N 425.580 0.516 50 20 ICGD CSC[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1317736955 BVSBRVRCLRKEIK-LALPHHSUSA-N 433.534 0.956 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1318272328 RYMUIFROEVBPKH-UHFFFAOYSA-N 439.586 0.341 50 20 ICGD CN(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(N)=O 1325007351 ZEAAUMYBVWLBPS-NSHDSACASA-N 435.300 0.024 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)cn1 1329890509 HYUIHPDYLNBKPN-UHFFFAOYSA-N 447.521 0.681 50 20 ICGD CCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091623 ZRJZMSHSTNONKU-YMYKSDKLSA-N 433.509 0.671 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(F)cc1 1780904972 ZFRRNIGGKQTKCF-ZWOKBUDYSA-N 441.887 0.433 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299550 DNZJZDSTBBHDBH-JOCHJYFZSA-N 445.495 0.443 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)c(=O)[nH]c1C 1781326255 MMDQXGGDDSUIMK-BLLLJJGKSA-N 431.262 0.521 50 20 ICGD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c([N+](=O)[O-])c1 1781408165 GJHDOUSJWKAYDQ-QFBILLFUSA-N 441.868 0.576 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1781997990 MDDJRTUHSHAILA-HDMKZQKVSA-N 432.359 0.616 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782362721 HMQHBKKYSKMPDX-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787397065 OBALDSAXPJFORP-MXAVVETBSA-N 445.383 0.778 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508731 JWWYLBWAQZJCCK-YSQVKDRBSA-N 446.552 0.474 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4ccnc4c3)[C@H]2C1 1788361608 WDVPNSWRKHVFJO-BZSNNMDCSA-N 442.520 0.301 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(F)c3F)[C@H]2C1 1789638225 GTQPAWXXDYLQHF-QRTARXTBSA-N 438.475 0.931 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)cn1 1794340439 QFZBHGCLSBUXES-RDBQEKCUSA-N 431.262 0.769 50 20 ICGD Cc1noc(C)c1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794412747 WDOQGKWGPKUYGJ-REPLKXPHSA-N 425.294 0.856 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893619 ZFXWYLGUJMZVCJ-AHHPBITISA-N 442.426 0.753 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796892240 RCXNOBPFGHABAS-GPLRMVCLSA-N 431.497 0.206 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797924266 MCFRBSOYPBRZSK-AQDIXCGQSA-N 432.359 0.912 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798919899 ZMZGNEVFYZNDEA-IRLPRSGCSA-N 448.483 0.895 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1800978264 QMDZUMBKOZBBJQ-LOUJCGABSA-N 448.907 0.391 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802116726 UCHCPIOXQYGRCB-MWTISTBLSA-N 437.924 0.648 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1802337067 FJPIKCQRSQCKIZ-MPWIWIEXSA-N 443.504 0.732 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cscn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362104 DTGKDHPQCPSDEY-APWZRJJASA-N 436.302 0.851 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369544 NNYYOERVZOYRGR-XLIONFOSSA-N 433.277 0.128 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808212469 AUSVUYZLLKMNJG-USRRJVLOSA-N 449.515 0.749 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979925 FUOXUXULRDGXPC-INIZCTEOSA-N 446.309 0.773 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1812776485 KOEKBHSVEURQJL-YCPHGPKFSA-N 436.314 0.948 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069886 AQCGDLLQIMJIPJ-SSXNJELNSA-N 445.520 0.580 50 20 ICGD Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cccc1=O 1816315389 ZASSCCFMIKCYCJ-QGZVFWFLSA-N 449.276 0.408 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1823836822 YSSGXAYXDHMOEO-UYAOXDASSA-N 441.337 0.126 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ncn1)CC2 1826083956 VVLFGERGKGGUDC-SNVBAGLBSA-N 433.494 0.238 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)CC2 1826088977 RKLISCAHCMWOJU-YPMHNXCESA-N 436.538 0.049 50 20 ICGD CCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827132874 SASUVGOBAYFQKO-LLVKDONJSA-N 432.506 0.794 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827687846 QGLPEZJHTISKIG-IIBYNOLFSA-N 443.353 0.467 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831436856 GKZUXQFLYZHFPC-HXUWFJFHSA-N 429.326 0.126 50 20 ICGD O=C(Cc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833168969 MKKYMHBDXRQLCA-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833387444 OTYAZDOHZIZTLM-CYBMUJFWSA-N 445.358 0.794 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833519868 MYBWMTMUGHJDRG-QFIPXVFZSA-N 447.536 0.087 50 20 ICGD COc1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1C 1836717932 FPHDUVCRLNILIN-MRXNPFEDSA-N 428.917 0.641 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837711896 WEPROTBFTMIYEW-QGZVFWFLSA-N 441.517 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260556 SVBDUTNABXZTDO-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839379523 CYYSOGTZFXVPCA-QFBILLFUSA-N 437.859 0.872 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840150847 RVXODPLZPKQDMJ-CXAGYDPISA-N 433.292 0.454 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1)NC(=O)NCc1ccccc1 1841352565 XGHHBBHGXUVNDG-MRXNPFEDSA-N 437.928 0.136 50 20 ICGD Nc1nc2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)ccc2s1 1843013522 ULICPUTWQMTOPA-UHFFFAOYSA-N 436.302 0.689 50 20 ICGD N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ccc1F 1845203212 KKFRHNOQLYXFNC-UHFFFAOYSA-N 436.447 0.756 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)Cc2ccccc2)C1 1846065052 FTSSGYFMAVULKK-DUYBAWCLSA-N 437.500 0.927 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN(C)NC(=O)NCc2ccccc2)[nH]1 1847911391 RJLRZYNIEDIQCN-OALUTQOASA-N 439.520 0.880 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 727364195 NYURQJOQRMUBPU-OAHLLOKOSA-N 442.563 0.465 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728333193 PTIOGVHQWIWIOJ-CQSZACIVSA-N 433.377 0.020 50 20 ICGD COc1ccc2c(c1)OC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2 728340322 VMTRMFTYEPVBAV-AUUYWEPGSA-N 442.424 0.777 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845090 GHAALUISSRORIU-AWEZNQCLSA-N 436.472 0.834 50 20 ICGD COc1ccc2c(C)c(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(=O)oc2c1 729275969 UJUOVJHXDOEJQC-LLVKDONJSA-N 425.463 0.128 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(N(C)C)CCOCC1 733850936 NLYAPNCHVBBHTR-UHFFFAOYSA-N 426.543 0.343 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 734239596 SVTAQYVQZCPIFY-UHFFFAOYSA-N 441.510 0.596 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc1F 734262450 IZHXPOQXSKGUFJ-UHFFFAOYSA-N 447.489 0.545 50 20 ICGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3ccc(Br)s3)C2=O)cn1 735512023 KFEZFDWRORFVIE-SECBINFHSA-N 427.284 0.994 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)NCc1ccccn1 735515899 DEHDBKWFRMPCJW-UHFFFAOYSA-N 444.473 0.675 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H]2CCN(C)C2=O)cc1 737995588 USKLATICVMXJQE-HAZIXKIPSA-N 436.472 0.688 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)oc1C 742231499 JKPTYTIIWZVOHW-UHFFFAOYSA-N 430.464 0.511 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 748538503 TXODEUQKYZVWTK-UHFFFAOYSA-N 434.497 0.476 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 750288014 BQKOGABEFMLCJC-UHFFFAOYSA-N 425.471 0.196 50 20 ICGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 754974170 MYCIWFAXSZIDHY-NRFANRHFSA-N 449.529 0.974 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc(Br)c1 758037335 ZZUUABLBQYBENJ-QMMMGPOBSA-N 445.299 0.037 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758833935 NEENBJOYTHEGEH-ODXCJYRJSA-N 430.465 0.304 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 763548789 RKJLIKAGJDHXTA-UHFFFAOYSA-N 434.430 0.079 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1C 763646674 HIZUDZMSGNRORF-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 763719497 ZRLJEZYOESODFH-UHFFFAOYSA-N 435.418 0.245 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 763811801 NIFVOSNHOCSOFJ-OAHLLOKOSA-N 438.440 0.365 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)NC(C)(C)C 763999082 MYDAFTMABWHHAS-UHFFFAOYSA-N 435.506 0.810 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)n[nH]2)cc1 764109926 DPGNJXZWSODGCN-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)cc1S(N)(=O)=O 764124689 NXRPXYXCVFEQSQ-UHFFFAOYSA-N 448.501 0.624 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764336047 XXIMPCHAQVETFJ-UHFFFAOYSA-N 434.518 0.698 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 764396830 CGQDKSNAZRIVFQ-UHFFFAOYSA-N 444.469 0.929 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 766264256 GDBJZOMQYDJNLQ-STQMWFEESA-N 428.449 0.816 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc2c1=O 768901349 VCDQVYLJQMRTDQ-JOCHJYFZSA-N 448.439 0.546 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cnn(Cc2nnc3n2CCCC3)c1 772640842 OPUZXUXXZZNVAK-MRXNPFEDSA-N 438.448 0.852 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cc1 784831106 HVRBCSRPEYZGKW-UHFFFAOYSA-N 429.389 0.508 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cn2)n1 785060667 JGVDWQZUFUDJGO-UHFFFAOYSA-N 432.444 0.860 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nnc(-c2ccccn2)s1 788566966 PFQZQCYLALJZQY-JTQLQIEISA-N 447.502 0.509 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 792394951 UOZMVCGLYRCDMC-UHFFFAOYSA-N 433.425 0.391 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCS(=O)(=O)C1 793043241 SFZVHETXPLYUNP-CYBMUJFWSA-N 435.256 0.494 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1 796991661 GMBTWHSUUAKMNW-UHFFFAOYSA-N 438.444 0.476 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1F 797092527 DFWFCQDUKOPCKV-UHFFFAOYSA-N 431.355 0.728 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CCCS(=O)(=O)C1 807581685 LAMJCGQYQBUBIG-QGZVFWFLSA-N 437.566 0.354 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c1 810385914 FCARALAAZDIOLG-UHFFFAOYSA-N 449.414 0.895 50 20 ICGD COc1cc(C)nc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 810465208 FVWWZUMHIZPXQX-UHFFFAOYSA-N 430.284 0.978 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccccc1F 811479614 KBOKGSBAYQCDMA-UHFFFAOYSA-N 438.437 0.178 50 20 ICGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 816561220 PILOCPDEGGIJIT-UHFFFAOYSA-N 441.291 0.765 50 20 ICGD O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[C@@H](B(O)O)C1 864233065 FLCMHLIZDKSHNE-CHWSQXEVSA-N 445.144 0.925 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(C#N)n1C 913286772 IRAOVAOQTJMDCJ-NVNXTCNLSA-N 435.444 0.493 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914800936 DNOGUXPHIFYUNK-KSSFIOAISA-N 445.472 0.698 50 20 ICGD O=C(NCCCN1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916196210 SKXPOXVUTVISJD-UHFFFAOYSA-N 439.538 0.137 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCN2CCN(c3ccccc3)CC2)c2ccccc2c1=O 916514295 AIKSLCCXEVCYSV-UHFFFAOYSA-N 449.515 0.700 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917197886 ROMXLJPWFHBRBC-MSOLQXFVSA-N 429.498 0.565 50 20 ICGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 919700726 ZSRZAUHKSUPDLO-UHFFFAOYSA-N 428.474 0.584 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3nnc(C(F)F)n3c2)c1 1319623816 YFBZJGPLDFZEAI-UHFFFAOYSA-N 438.416 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778570612 GPVOYHYMIZNKMS-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528980 VXIVUEZAPLBDGD-DYVFJYSZSA-N 441.282 0.792 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779734869 LFBIOLXMYHTMEO-IBGZPJMESA-N 425.436 0.176 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)F)CCO2)NC(=O)NCc1ccccc1 1780970113 SENPJHDNAPOJFU-JOCHJYFZSA-N 449.527 0.911 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781248161 SMTZPVASFOSCMU-RNODOKPDSA-N 448.432 0.098 50 20 ICGD O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1782809975 IBAJHHQBWFEKAQ-RYLXDESZSA-N 439.915 0.986 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1783880531 CSGFXOWYFQBWAP-YJYMSZOUSA-N 427.885 0.796 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783884129 QNHNUMXASXHJGS-XRLDPFIYSA-N 440.880 0.900 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979222 BIZSTAMSZWJALM-ZDUSSCGKSA-N 430.221 0.280 50 20 ICGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1cccc(Cl)c1 1784090074 PUAOPVUWARSQJS-SRQBIAJPSA-N 430.332 0.919 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CCC1 1786763632 GGGZCRLCNXQXQB-HNNXBMFYSA-N 444.492 0.092 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1787508972 VHTRFNBUOAAWKD-HVEJOWRVSA-N 427.465 0.137 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1789863346 NTZMSORCJLTLFV-WOYTXXSLSA-N 432.901 0.478 50 20 ICGD COC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CN(C)C(=O)C(=O)O)cc2)CCC1 1791098003 UWHOEPBUPCQOTP-AWEZNQCLSA-N 425.869 0.917 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1791255637 XKCXAHXKVLVPMO-XSLAGTTESA-N 426.941 0.919 50 20 ICGD O=C(O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791301206 WPYCSADYBUIMRH-YVNDNENWSA-N 427.292 0.474 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3cnccn3)c1)C2)[C@H](O)CCl 1792981349 WBMLIAFYBXZDHB-UKBAYJJMSA-N 430.892 0.947 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncs1 1794915109 IIDURGCSLOFPPX-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1onc3ccccc13)C2)c1cccc(B(O)O)c1 1795741314 UHKWKXXQDITNLB-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185921 ZUGNTMPRXKNIET-RUGDWHBFSA-N 445.325 0.531 50 20 ICGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Cl)cc2N1 1796366836 HTIPXPLHLKPIHS-RDBQEKCUSA-N 428.873 0.863 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1796890667 CZBQSSLCFHCCQV-BFEVCPCASA-N 430.465 0.211 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCC3)C2 1798440319 IDLIUFDBEOFYQQ-RBVVOMGSSA-N 437.504 0.784 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799150278 UTGXPKRSHTUBBD-YVCQSUGNSA-N 446.317 0.668 50 20 ICGD COC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1799424545 RMBDIEDKSGTMGX-XRGAULLZSA-N 425.869 0.668 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C=CCN1)C2)NC(=O)NCc1ccccc1 1799871683 UWWSZTFXVALNOT-YRPNKDGESA-N 440.548 0.499 50 20 ICGD Cc1ccc(C(=O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1800886900 RFAAQTSIECLVRT-XEMDLRDOSA-N 430.505 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)COC3)C2 1801011684 YSTKSZFPYIMMMO-RMFSNUHRSA-N 430.505 0.293 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803136824 WLEHBHWFAMXJDW-CKEIUWERSA-N 429.926 0.593 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)[C@H](F)Br)CC3)C2)N1 1806848110 ASMZEXQSZGQYJU-PWSUYJOCSA-N 433.278 0.506 50 20 ICGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]3c3cccnc3)cc21 1808310946 LJFWBPUMQSDANI-WQVCFCJDSA-N 434.859 0.876 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CN)[C@@H]1c1cccnc1 1808415456 WQVRMMYKQBVPEM-UOAKOBPESA-N 439.520 0.816 50 20 ICGD Cc1nnc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)o1 1809976528 ANDRTPUEVASJCM-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1810294686 MCOQTEAADLLOTL-UWJYYQICSA-N 432.484 0.813 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1810539742 IKUWOTRPHRWDDM-HNAYVOBHSA-N 447.568 0.491 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1810868760 JFZHIFXBTFKQIQ-QUCCMNQESA-N 448.288 1.000 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1813034768 XEVQJTFLAILBNQ-DOXZYTNZSA-N 449.895 0.916 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356552 JEQRKRGCSLSHSI-YOEHRIQHSA-N 443.334 0.622 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816757070 YRULOEKGPNPGJG-GDXASINISA-N 434.497 0.894 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822183994 IPDZNZSZLNYOOZ-MWLCHTKSSA-N 441.286 0.737 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080583 SONGRKGUTPJEIE-ZDUSSCGKSA-N 431.522 0.840 50 20 ICGD COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)CC1 1830534819 CLYIYLJCMGSKRF-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cn1 1830535886 VTZRKYMLEVRIQF-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD COc1cccc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n1 1833307984 GBCNKMATTZMGIX-GOSISDBHSA-N 438.956 0.804 50 20 ICGD Cc1occc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834180059 IQHJAQNFSDDHDL-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187285 WWNJHCDLKCLKSH-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)O1 1835465988 JXPJAPJSNPZAGP-VQIMIIECSA-N 437.585 0.499 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820849 DLFQDYUFYLGZJF-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839142170 IIIXPHNEZDGWGM-PBHICJAKSA-N 429.861 0.265 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)nc2nccn12 1839548900 PKDJXYVXPANAIN-KSSFIOAISA-N 425.848 0.642 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840483138 RMWDYAMZNOLCEO-FQEVSTJZSA-N 437.569 0.516 50 20 ICGD Nc1nc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2s1 1842961702 JIEYOUHXKZKETP-UHFFFAOYSA-N 436.302 0.689 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(C(F)(F)F)c1 1843011367 VWSYBDJIPQXZAG-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1845544545 CLXHGPOQQAZGBP-UHFFFAOYSA-N 443.259 0.841 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 25414500 KFHBPTTZMOTEEI-UHFFFAOYSA-N 440.456 0.808 50 20 ICGD COC(=O)CSCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 730769524 SYDYZQDQHGQHDI-UHFFFAOYSA-N 443.547 0.919 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H](C)O1 732261417 MUWFHGAMMJPXMI-TXEJJXNPSA-N 432.930 0.972 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H](C)O1 732264582 VNNMEADLBJTBPB-PHIMTYICSA-N 438.959 0.327 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 732594737 HWIJRGBBHHCTDU-AWEZNQCLSA-N 427.461 0.782 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCS(C)(=O)=O)c1 732891500 KQRLCIPILRICPR-UHFFFAOYSA-N 434.540 0.096 50 20 ICGD Cc1sc(=O)n(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 734417927 VTHIRAAWOKNLRM-UHFFFAOYSA-N 426.520 0.628 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOC[C@@H]2CCCO2)cc1 734676975 GIWQSQMBAYXLAA-HNNXBMFYSA-N 428.511 0.142 50 20 ICGD O=C(CS(=O)(=O)C1CCCC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621469 XRYTXBQWLHFLMZ-UHFFFAOYSA-N 431.536 0.508 50 20 ICGD COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 747408196 AJFFRWKMZSZHSM-HNNXBMFYSA-N 433.486 0.958 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2(S(=O)(=O)c3ccccc3)CC2)c1 748129234 BGZHFOKWMHEJBM-UHFFFAOYSA-N 427.438 0.869 50 20 ICGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 750643677 LDPCJEHUAMJKAW-HNNXBMFYSA-N 437.522 0.424 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 751206545 NUSGRYNECXUWCS-UHFFFAOYSA-N 430.552 0.467 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 754826015 SMHNHQHDIZJDML-AWEZNQCLSA-N 435.437 0.872 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1 757779940 CIEODVBWHVMNCS-UHFFFAOYSA-N 436.490 0.687 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@](C)(O)CN3C(=O)C(C)(C)c4ccccc43)nc21 760330254 UDBMVUAWZIEMBU-HXUWFJFHSA-N 425.449 0.587 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCC[C@@]3(C)NC(=O)NC3=O)n[nH]2)cc1OC 763146674 DOJYQISBINIVGC-HXUWFJFHSA-N 444.448 0.623 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)cc1 763662637 YFXWUBMHLFOOIC-ZDUSSCGKSA-N 444.444 0.834 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763680089 CCRQSKLTZBIWAG-UHFFFAOYSA-N 435.440 0.924 50 20 ICGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763791923 ZZOVQHLWRZXDBG-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 764002172 JPNGFQGCODYYPE-LLVKDONJSA-N 431.898 0.895 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 764168625 FYSMAJUYVWUTCV-MRXNPFEDSA-N 449.485 0.951 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCO1 764584377 QNHGCNBOMBHQJR-CQSZACIVSA-N 426.543 0.425 50 20 ICGD O=C(COC(=O)c1cc2c(cc1F)NC(=O)CC2)NNC(=O)[C@H]1COc2ccccc2O1 768107366 HUEXSDZXEPECDZ-QGZVFWFLSA-N 443.387 0.855 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)c1 770401181 KGABQEFAFXPZBB-CQSZACIVSA-N 442.436 0.518 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 772095576 KMECDXXMCAUNPW-QWHCGFSZSA-N 428.511 0.548 50 20 ICGD CS(=O)(=O)C[C@@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 774279030 ZMLBYQDYARGRLK-QGZVFWFLSA-N 446.533 0.809 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776836907 VZJSYAKLFQRFNP-LSDHHAIUSA-N 425.530 0.476 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)nc1 777756027 GQSNXDWMTKWSOK-CYBMUJFWSA-N 429.499 0.317 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 778709321 DCYKUIBDIBQPLZ-GFCCVEGCSA-N 445.457 0.374 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN=c3cc[nH]cc3)CC2)c1 780754810 BKUMCLJANOAIPK-UHFFFAOYSA-N 445.545 0.877 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)c(C)c1 783435867 AXZMUNPKDXZSMB-UHFFFAOYSA-N 425.405 0.604 50 20 ICGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004666 IWUKTAXKVXSZQE-UHFFFAOYSA-N 432.458 0.370 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3ccc(C#N)cc3)cc2)CC1 784230130 JHVLMEDEQBWVMH-UHFFFAOYSA-N 442.501 0.576 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNc1cccnn1 784858629 RSGNSMLUERETCU-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 802115624 YYYLBAGRAJWODE-UHFFFAOYSA-N 444.901 0.912 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3ccc4c(=O)[nH]ccc4c3)CC2=O)c1 803435451 ABJVHYDDVTUCEA-ZDUSSCGKSA-N 441.469 0.672 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cn(C(C)C)nn3)CC2)cc1 807976653 SLOYUJNIIBCCSJ-UHFFFAOYSA-N 433.538 0.624 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 814669837 WBUOIZCZJZFZCC-QWHCGFSZSA-N 435.510 0.770 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCS(=O)(=O)C1 916240699 UHBAJHJVLAFKBQ-GOSISDBHSA-N 444.579 0.742 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 916267336 NFIHCAHGSBRVTD-UHFFFAOYSA-N 443.508 0.407 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O 917393198 AIRYHHSGFPFFLQ-UHFFFAOYSA-N 448.501 0.354 50 20 ICGD O=C(NNC(=O)N1CCN(Cc2cccnc2)CC1)c1csc(N2CCOCC2)n1 918775709 AXDNTTPACVZTDX-UHFFFAOYSA-N 431.522 0.547 50 20 ICGD CCN1CCN(CC(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C(=O)C1=O 920439136 KDSAXEXKYAEDMD-UHFFFAOYSA-N 444.513 0.962 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=S)Nc3ccccn3)cnc21 1261914218 XVJJNHSLNOFUTF-UHFFFAOYSA-N 437.283 0.305 50 20 ICGD O=C(NCC(=O)N1CCCC1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1318625018 GMUZNUSSELUYGP-UHFFFAOYSA-N 448.487 0.955 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1330085058 MJBSKNRJPPVLFS-UHFFFAOYSA-N 438.531 0.939 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779077990 KLFQWDCQWQVCJH-CTNGQTDRSA-N 448.350 0.070 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1779546349 OQVMBDQVNTWVMZ-GPMSIDNRSA-N 446.642 0.929 50 20 ICGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780200435 AKXYEICPBNLUIH-SCLBCKFNSA-N 439.831 0.656 50 20 ICGD N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780597162 LUEVESAMVIZHTI-QFIPXVFZSA-N 434.456 0.314 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC(c2ccccc2)=NN1 1781447453 YTKKSAAAHRMWDL-JZJXAQOMSA-N 448.951 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCOCC1)C2 1782210652 AHFHQAGRVUTJSS-XMSQKQJNSA-N 438.569 0.690 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1782213984 FTHTZMHBOZLMFR-OZQHCQBDSA-N 438.569 0.424 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784096296 CBKCWYRVVWTBAI-XQLPTFJDSA-N 445.944 0.623 50 20 ICGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785864447 UKRVJEFZRZLTJE-UKJIMTQDSA-N 433.278 0.713 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984355 AQCSSVHVCKXTCS-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)n1 1787446553 QMUMEUTTZSQFNI-YXWQFLTLSA-N 428.892 0.801 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1790961727 PKPQBVIBEFIMFP-QNSTZXKLSA-N 434.331 0.202 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC)n3)C[C@@H]21 1791252653 QQXUIASUOMBKTI-LLLHUVSDSA-N 425.913 0.866 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC(C)(C)C)C[C@@H]21 1791257517 LCIGALJGUFKEGC-AJNGGQMLSA-N 433.933 0.745 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312414 JAKAGGLWVNYDNJ-USXUVBGUSA-N 448.269 0.881 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791493783 QUWNMHYRTXWTCO-ZULIPRJHSA-N 445.564 0.613 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793687312 AZRZIERRIDSSTG-YNXVLUOKSA-N 431.249 0.920 50 20 ICGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795733068 ZUHKMTWHQMMMQP-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1C)C2 1796440477 NIMAAJMZJJEWSV-LVTGYEAHSA-N 427.465 0.055 50 20 ICGD Cc1nc2sccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797545975 AHWVCSKNJOYFMY-XOIINTDNSA-N 448.549 0.280 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cccc1C=O 1798439248 SFZCQBNJYGXFLZ-LVQVYYBASA-N 438.488 0.812 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799354958 GQACBYZNOSEDOI-ZUWCUPBKSA-N 437.896 0.386 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)[C@H]1c1cccnc1)[C@H](O)CCl 1803142242 BTAZMXDHTSGATI-LESCRADOSA-N 433.896 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2csnn2)[C@H]1c1cccnc1 1803754046 PDGIATIBHYEKNI-KBXCAEBGSA-N 431.522 0.626 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)on1 1804260385 GVJWYZNGHANOMW-HTAPYJJXSA-N 442.520 1.000 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807369227 CMYVGVXURZOUBB-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cscn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369743 UKDRSMKMDBVMLG-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1807374662 IYZOQTYIIMBBMW-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976577 HWRWVTNXLDKZRR-BQYQJAHWSA-N 428.294 0.331 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1810301747 BJHXQVVWNGPYHB-BEFAXECRSA-N 446.471 0.504 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)COC1 1812492826 NEZXRFVARXLVPL-YLJYHZDGSA-N 431.537 0.887 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812717118 MBVRQKNGQZAUGI-AOIWGVFYSA-N 426.945 0.391 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1812776479 KOEKBHSVEURQJL-DZKIICNBSA-N 436.314 0.948 50 20 ICGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)C(Cl)Cl)[C@@H]2c2cccnc2)C(=O)N1 1813075331 BLAAMYDSOFVOGZ-RISCZKNCSA-N 428.276 0.443 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2)C(=O)O 1815082330 WFKFZYVRQCBXPO-HLEGCSNESA-N 437.291 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2CCOCC2)n[nH]1 1817180811 FDCGDZVTKCYQRM-QGZVFWFLSA-N 449.556 0.497 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470325 OLKBSRBVVFVMOR-SOVGHPHASA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 1817479109 LYORKXPXWAXJAA-YJBOKZPZSA-N 426.282 0.822 50 20 ICGD Cn1cncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795564 OLIMAYNIDOXHKR-SNVBAGLBSA-N 440.489 0.415 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825998111 CGUKULXNECORFN-CHWSQXEVSA-N 437.714 0.303 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCN1C)CC2 1826083060 JECKTSPPIGDZIG-UKRRQHHQSA-N 436.582 0.912 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2)C(=O)O 1828079835 DLYZAJZZBRKUSV-ABRRARGCSA-N 444.473 0.398 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1829751750 AGIGLZULIHBMND-HNNXBMFYSA-N 448.343 0.435 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1830358648 QEGUALHIKUOWHM-IBGZPJMESA-N 440.884 0.510 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1830537416 HJUROHYKSNLAJS-GUYCJALGSA-N 429.315 0.521 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720098 STKLEHNNTJEGNG-PXNSSMCTSA-N 441.311 0.748 50 20 ICGD O=C(c1cc2sccn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724086 VRHXZTSCGTWUAY-KSSFIOAISA-N 427.910 0.671 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738698 SJIOGVQNXVMNOS-DOXZYTNZSA-N 443.953 0.618 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652616 OADNAPLTEZQROK-HOTGVXAUSA-N 441.381 0.696 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682386 FWHOQNYSMFVAIW-RDTXWAMCSA-N 445.358 0.508 50 20 ICGD O=C(CCC1CCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927132 HUWMVKYYPIWSDW-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1836845310 NRDSIPISRQGGDV-IUODEOHRSA-N 441.953 0.847 50 20 ICGD O=C(c1cncc2cnccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838460915 QPRQXSQDGZQWPE-XLIONFOSSA-N 434.880 0.300 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839143886 KOIOQFUAGBBDGT-KUHUBIRLSA-N 437.884 0.522 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839151460 RZNULYOQSUDEJL-MSOLQXFVSA-N 432.304 0.626 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840033682 MTXWZWSTLMIMBL-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840151315 YGJBBELXJBHJTI-AEBIURJHSA-N 432.945 0.495 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2N1 1843012174 LYPPYOVVZOWBLC-UHFFFAOYSA-N 433.273 0.382 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845870476 QFDDFLIXBDCJQC-MSXUNZPYSA-N 443.410 0.673 50 20 ICGD COC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1846512094 ULWWZXSWXFFNPZ-UHFFFAOYSA-N 434.405 0.693 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc(Cl)c1OCC(N)=O 11367192 GUUFFCCKPRVDNA-UHFFFAOYSA-N 441.849 0.892 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(C)c1OCC(=O)O 726155765 ZUUJIYXBJJKXQF-UHFFFAOYSA-N 441.487 0.568 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 726242597 UIWCNWBVAZBSGU-UHFFFAOYSA-N 444.444 0.817 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCNC(=O)c3ccco3)cc2)CC1 728212879 JJEJIWMXHLRFCK-UHFFFAOYSA-N 435.506 0.479 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(C(=O)NC4CC4)CCC3)cc2)CC1 729534791 XVMXWNGNXLMJFF-UHFFFAOYSA-N 435.550 0.515 50 20 ICGD CC(C)(C)c1nc(CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 735872654 PHGSSQZDWKTOHP-UHFFFAOYSA-N 445.480 0.854 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21 742067112 CHOGRGGPFILPFZ-CYBMUJFWSA-N 432.506 0.506 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cc(Br)ccc3O)nc2n(C)c1=O 743730378 WKMLSVUAPCSTNA-UHFFFAOYSA-N 448.233 0.175 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc(Cl)nc1 743819129 BSMSVCXWLWDRDL-AWEZNQCLSA-N 446.938 0.960 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)NC(=O)NC1=O 746760089 AOIHTAUKPUCTSD-OAQYLSRUSA-N 435.444 0.462 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 746816907 YEWKIBQBFHXXLM-AWEZNQCLSA-N 442.497 0.887 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC 747409688 JDKBLALZABDJOL-UHFFFAOYSA-N 434.434 0.311 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2(S(=O)(=O)c3ccccc3)CC2)n1 748134702 BNDGPKBJKGXVDU-UHFFFAOYSA-N 437.499 0.691 50 20 ICGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754415854 GLHTYQNMQAJTTK-SFHVURJKSA-N 436.472 0.796 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)[C@H](C)O)cc1 754754190 MMGMBWPMPSETBL-WMLDXEAASA-N 445.501 0.440 50 20 ICGD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756511209 MGGLXFQBUJXKJC-WFASDCNBSA-N 439.494 0.575 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 756640418 MESOLQAJYWDBFN-UHFFFAOYSA-N 426.476 0.465 50 20 ICGD CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 758380766 MMHMERNAYMNVRS-UHFFFAOYSA-N 431.474 0.581 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 760695419 OURPMXKGXTWJQZ-KRWDZBQOSA-N 449.441 0.393 50 20 ICGD Cn1cc(-n2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc2=O)cn1 760867666 FQKBTEWZPKDXBN-UHFFFAOYSA-N 428.474 0.769 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1nccc(N2CCOCC2)n1 762869288 UTVJYSFDIPQKAA-UHFFFAOYSA-N 440.913 0.778 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN1CCNC1=O 763572297 QHUZAXOQUCCBTI-QGZVFWFLSA-N 439.428 0.138 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1C 763665593 ZDPWOZRLXCFFQN-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764155304 XYTRBOWSITUOBK-KRWDZBQOSA-N 433.424 0.741 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)cc2)c1=O 764242616 JOHYBUFFNSPTPM-UHFFFAOYSA-N 433.428 0.312 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1 764292875 INNHHASOQBHSLE-UHFFFAOYSA-N 436.494 0.063 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](O)c3ccccc3)CC2)cc1 765174346 BOUFNVUGFLWQRL-FQEVSTJZSA-N 446.529 0.182 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CC3(CS(C)(=O)=O)CC3)CC2)cc1 765748466 FFZHOUCIEJBHNV-UHFFFAOYSA-N 436.578 0.475 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 766261370 WFIJKTHYALGKLJ-UHFFFAOYSA-N 434.840 0.693 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1=CN2CCS(=O)(=O)N=C2C=C1 768280241 XEQJBJGRGQFXBQ-UHFFFAOYSA-N 430.421 0.474 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCn1cc([N+](=O)[O-])cn1 769226457 VBKNYVASAYDOTN-UHFFFAOYSA-N 430.469 0.334 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1nc(COc2ccccc2)n[nH]1 771375580 HAADCLYDOYAARN-UHFFFAOYSA-N 429.462 0.706 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1)NC1CCCC1 772386778 UZECWFGFSIIOPL-UHFFFAOYSA-N 447.521 0.310 50 20 ICGD CC(C)[C@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 772608355 VCXGPWBFKUQTMC-DOTOQJQBSA-N 440.570 0.847 50 20 ICGD Cc1coc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 776084976 BJQMMSIOEHNNIM-UHFFFAOYSA-N 425.405 0.341 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1C 778420887 BXLNHWFOFUOTNO-LLVKDONJSA-N 446.489 0.922 50 20 ICGD Cc1cc(C(CC(=O)NN(C)C(N)=O)CC(=O)NN(C)C(N)=O)ccc1Br 779041357 QQXVJXVFGNKMKW-UHFFFAOYSA-N 443.302 0.705 50 20 ICGD O=C(N[C@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1)OCc1ccccc1 780967334 SLZJTJZNUQRJCX-HXUWFJFHSA-N 427.417 0.253 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 782898028 WVMSFIQSVMRKBB-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD CCCc1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cnn1-c1cc(C)ccn1 783425192 BTKGZYVVYPQDCR-IBGZPJMESA-N 434.522 0.665 50 20 ICGD COC(=O)c1coc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 788915230 IQNXWCCPXXOZHA-UHFFFAOYSA-N 446.482 0.864 50 20 ICGD COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NNC(=O)Cc1cccnc1 790052775 JPLMMEDKGLEZIW-UHFFFAOYSA-N 426.882 0.998 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Br 792265506 CLNWROFWPDTCBM-UHFFFAOYSA-N 439.060 0.953 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 792393300 CMZMDRVQZBHLGM-KRWDZBQOSA-N 449.471 0.979 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)C2)c1 792628326 GYUWTKUKRRXZKL-KSMMKXTCSA-N 434.493 0.844 50 20 ICGD Cc1ccc([C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H](C)S(C)(=O)=O)cc1 798059333 JGDFAEZDYDOJPD-DYVFJYSZSA-N 436.490 0.823 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 802066060 ODDPVNDVSZQPRH-ZDUSSCGKSA-N 431.474 0.687 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 810007247 XHZGQLLXHSLORC-UHFFFAOYSA-N 428.417 0.511 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1 810385896 DINFVWBPDQFVNZ-LBPRGKRZSA-N 440.412 0.774 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)cc1Br 810386705 NDIXIJYXNXPVDD-UHFFFAOYSA-N 443.279 0.592 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 812726485 GKWGGXCTMWCYPD-UHFFFAOYSA-N 446.283 0.105 50 20 ICGD O=C(CNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)NCCN1CCCCCC1 814301196 WLSHQVIXGPZWFX-UHFFFAOYSA-N 427.509 0.809 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc21 815566817 GLTDRFCMBQOSKN-UHFFFAOYSA-N 440.403 0.820 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 815634122 DQGUHHWTKDUZNK-GASCZTMLSA-N 449.508 0.668 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)n[nH]2)C1 816880730 QTYNVWDPVXXRDB-CHWSQXEVSA-N 444.496 0.749 50 20 ICGD CC(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 916132455 ADFKZUNCGYVWRW-UHFFFAOYSA-N 439.275 0.959 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n2nnnc2C)c1 916144744 KJKVHHFHKBLHJD-SFHVURJKSA-N 448.447 0.211 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc(OC)c1OC 916257830 DBYUJTNFDNZBHM-INIZCTEOSA-N 437.541 0.928 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cn1 917719483 CZZMQXRNKJCTCH-UHFFFAOYSA-N 438.473 0.745 50 20 ICGD COc1ccc(-c2noc(CCCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 919883949 CXDSLOFCOLMJOQ-ZDUSSCGKSA-N 437.478 0.585 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)O1 1320045328 NFCZLQCTMLPMSR-CABCVRRESA-N 441.529 0.600 50 20 ICGD Cc1ccc(Cn2ncc3c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C)nc32)cc1 1320429947 ODEKGZCLNYURKS-CQSZACIVSA-N 444.517 0.795 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1778960986 IHAUUUCHKZXRBM-IGCXYCKISA-N 433.347 0.697 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)nc1 1779635379 XTBYCDIBQYTHGF-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc(-n2ccnc2)ccn1 1780211274 AXGKZDSOSIFFCC-WAOWUJCRSA-N 447.923 0.995 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1781219632 WDAUXWABSCMYGW-BIENJYKASA-N 433.933 0.719 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1781995497 NQYFIXZYASWNIC-HNSFDTNUSA-N 430.343 0.810 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782210757 HMJCOIFVAGFPDJ-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COCc1ccccc1)CCO2 1783933559 AKEJOTLUWJEYPS-QFIPXVFZSA-N 432.521 0.406 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783952146 PBUUVXWXJPJBBY-DYVFJYSZSA-N 432.308 0.091 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1F 1785011648 KEJFSBSOZVBHFM-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786730073 PABNJELOAHXRIV-QPSCCSFWSA-N 430.343 0.620 50 20 ICGD CCc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789408086 QVFQFVJGCYILKJ-DZKIICNBSA-N 437.566 0.672 50 20 ICGD Cn1ncnc1C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789521326 WLTJXWNDBPKUDX-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177640 VCXVFLBBYHFLPH-SMSYFYOWSA-N 449.932 0.063 50 20 ICGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1791136259 YBBVOKRWBDMTQW-KKUMJFAQSA-N 441.352 0.840 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1793314036 ZLLRJBRCRJUHPK-DJUFWWRVSA-N 444.381 0.140 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1794720576 LPQHDZFOIJNJLH-OQMKEHIESA-N 429.926 0.478 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1F 1795223464 VSFGABDSZZRYDY-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190896 ZCCUNEKECPKNTG-REPLKXPHSA-N 425.294 0.856 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(Cl)s1 1798238025 FZFJGINPBWJTBP-QHBPRCKVSA-N 429.930 0.373 50 20 ICGD C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800988165 LIVIMWKJYHSDGV-RMRDIRSESA-N 449.577 0.241 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2 1801010843 YZBWIBMWGPBUNH-YVWYUNDQSA-N 435.550 0.136 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1802333287 SAIISZOHUTYWSQ-JGPRNRPPSA-N 440.394 0.353 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1805704025 ZVFGENIVYLCOAV-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)no1 1807010287 ILMQOLPXUHKIOZ-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1807374734 ILOXDXGDDOOUBS-NSGGIEJNSA-N 437.305 0.649 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)on1 1815339668 MCHABMBNPLDHLX-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350157 GUGBLBNVTACVOX-SWLSCSKDSA-N 429.307 0.640 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C(=O)O 1817475856 WOOJRGGXHCYSLY-DMIOIOJGSA-N 426.238 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccnn3)sc2C1 1820402630 LOSJJINZGHHMNQ-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822188147 CBJMEAOUBQONRL-OCCSQVGLSA-N 446.346 0.472 50 20 ICGD O=C(c1ccnnc1O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827058255 VXUDYBINLIWLEG-LJQANCHMSA-N 438.293 0.409 50 20 ICGD Cc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830723076 KYPUPJAQTRFEFC-YLJYHZDGSA-N 426.897 0.430 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831868341 YKJXOIPACGDNAR-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1832084423 RYFCDWLNOVFUSO-DYESRHJHSA-N 440.924 0.602 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1832772140 HZUITPRFTDZCCF-SFHVURJKSA-N 432.304 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncccn3)CC2)CC1 1834234455 KKYWKOSELFGWSR-UHFFFAOYSA-N 431.541 0.035 50 20 ICGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1ccccn1 1835705088 GOMJUKIMZXTNTJ-GRDNDAEWSA-N 445.289 0.228 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836413938 RJZUSMQGZWFMSQ-XHDPSFHLSA-N 435.338 0.773 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837710196 NFDISMTZZNEBMV-HXUWFJFHSA-N 438.601 0.808 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1837712111 FDTSPQVSIVMQKQ-LJQANCHMSA-N 439.541 0.007 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837713070 FRHDALRIKAQUBJ-IBGZPJMESA-N 441.557 0.743 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837852059 MUZUYDFQENTBAL-SUMWQHHRSA-N 436.267 0.544 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624542 LGZVZFGXLNXSHW-IFXJQAMLSA-N 439.875 0.956 50 20 ICGD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CN1Cc1cccs1 1841350338 VUQIOEKXISLRMY-ZFWWWQNUSA-N 425.938 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843482074 OIRDAVMMEJBPSX-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD Cn1cnc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C(F)(F)F 1843519257 DBOKONRAWDHQPY-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847455558 GNXRSEKEEDTHLZ-ULQDDVLXSA-N 435.908 0.569 50 20 ICGD O=C(c1nccn(Cc2ccc(F)cc2)c1=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557141 WIJBIWQEVJTMIG-YESZJQIVSA-N 448.882 0.846 50 20 ICGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 15940011 PUHRCILMXXTZNI-UHFFFAOYSA-N 441.469 0.473 50 20 ICGD C[C@H](Sc1ncccc1C(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)N1CCCC1 726149717 HCYYWBIIPQSDFD-ZDUSSCGKSA-N 445.501 0.969 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c1 728609294 XOGUXSJAGJSIDX-UHFFFAOYSA-N 431.268 0.518 50 20 ICGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728844842 DOAQXIQRZIEALK-HZPDHXFCSA-N 428.493 0.406 50 20 ICGD NS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)cc2Cl)CC1 728870195 WHXVBEALYHKCKP-UHFFFAOYSA-N 439.719 0.779 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1 729950521 WOSMHACSUYIPRP-UHFFFAOYSA-N 432.458 0.971 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc2cccnc12 731473444 WNFJQYSQLQDRCJ-CYBMUJFWSA-N 429.462 0.255 50 20 ICGD O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 732975177 CSMNAXWBNINXPC-DGCLKSJQSA-N 439.881 0.869 50 20 ICGD CCS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 733885034 PYFLSDYNOLQLSR-UHFFFAOYSA-N 442.494 0.987 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734242085 ROWUPRVQKNFPOB-UHFFFAOYSA-N 445.498 0.337 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C(=O)N(C)C 734414537 KCJJOQHEOVQWHZ-KRWDZBQOSA-N 435.458 0.547 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCC(=O)N2CCOCC2)CC1 734825298 YHFZDXYWRCZEBR-UHFFFAOYSA-N 427.502 0.355 50 20 ICGD Cc1sc2ncn(CC(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c(=O)c2c1C 744557582 AJTHFAUKLXFWSY-UHFFFAOYSA-N 439.453 0.951 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)cc1 747437554 KZKVCBVDQRTWHB-UHFFFAOYSA-N 428.492 0.444 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 748636808 NDGKOBSNJLXMME-JQWIXIFHSA-N 428.467 0.022 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2cnc(O)n(C)c2=O)c2ccccc2c1=O 751533173 MCYNYJOFAPLIHH-UHFFFAOYSA-N 426.433 0.461 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)n1 762061940 FTTUYIAVRYTLMX-UHFFFAOYSA-N 449.420 0.341 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)cn1 763419472 FJTZGPCUSHRRDF-UHFFFAOYSA-N 427.442 0.676 50 20 ICGD C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570180 DAOZOCRHYIUAFY-KRWDZBQOSA-N 439.428 0.920 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c2ccccc2O1 763600409 GNEYFHPMBLKQMB-SFHVURJKSA-N 448.439 0.378 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)cc1 763833658 DGQNYXOOLAWJTM-UHFFFAOYSA-N 430.486 0.507 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1S(N)(=O)=O 763848532 ITAORKZESAEJTP-CQSZACIVSA-N 448.501 0.813 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 764026036 TYYNDBCUTLHOFZ-UHFFFAOYSA-N 430.486 0.478 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n[nH]1 764100106 VOUAMQBQIXSZQT-UHFFFAOYSA-N 434.478 0.292 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(O)c1 764105762 XXLFASZAKGBSAR-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)ccc1F 764115951 GSOYMVRTVGDCLK-UHFFFAOYSA-N 442.391 0.941 50 20 ICGD CCc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)c1 764226118 FXVONTPYBOHPEO-LBPRGKRZSA-N 449.489 0.460 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC(F)F)c3)cc2)CCN1 764250153 KNARMEBUXBIBNZ-UHFFFAOYSA-N 447.398 0.624 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)c3c[nH]nc3C)ccc21 764298387 QXLAOEVTLSPAFG-UHFFFAOYSA-N 439.476 0.941 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 764317962 QOYCVINZMZQDTF-KRWDZBQOSA-N 428.493 0.761 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccccc1 764330378 VQHUSLDJGUZFME-MRXNPFEDSA-N 425.445 0.181 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2c[nH]c3ccccc23)n(C)c1=O 765730449 KEXYQBCYCQTBHI-UHFFFAOYSA-N 437.460 0.085 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 767084703 UQDRHSFCQFJFDO-UHFFFAOYSA-N 436.437 0.767 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770947915 LCWMWVFKLNZDEB-CYBMUJFWSA-N 448.501 0.241 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 772993349 BHTPNXVCOQXJAG-NSHDSACASA-N 444.897 0.821 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 776609574 LQGXBDNABWUOKJ-UHFFFAOYSA-N 433.538 0.719 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)nc1C 778428250 AIAHKZITQLDPOT-UHFFFAOYSA-N 440.346 0.745 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@@H](C)O)cc1 779512365 WNRRTYVLGTWZIG-IUODEOHRSA-N 432.462 0.611 50 20 ICGD CN(C)c1cnc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 779676181 TUEUHVPFKLEBNC-UHFFFAOYSA-N 431.928 0.775 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCS(=O)(=O)C1 783425441 HZRBEAMVUNIYKT-IBGZPJMESA-N 429.458 0.882 50 20 ICGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)o1 784003906 RDZZENCJNOTCKT-UHFFFAOYSA-N 430.446 0.410 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cnn(-c2ccccc2)n1 784215901 GMFIMKGNBISMCH-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1 784352285 LLUDGPVBOGFQDE-UHFFFAOYSA-N 429.389 0.888 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 785727194 WGZVTFBPQOGDBM-ZWKOTPCHSA-N 429.473 0.740 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 787442030 VKDXTEMVDSAKKA-IBGZPJMESA-N 449.577 0.076 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(Br)c(C(=O)NN(C)C(=O)NCC)o1 792303299 NXVPSFMILQPSAW-UHFFFAOYSA-N 433.263 0.654 50 20 ICGD CN(C)N(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 792852877 AADOSVBJHPOUMG-MRXNPFEDSA-N 429.564 0.552 50 20 ICGD Cn1nncc1CNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 807613788 PYFIQGFYQFGZNN-UHFFFAOYSA-N 432.444 0.718 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 811892060 ZQBTYILGHUNZEH-UHFFFAOYSA-N 441.473 0.486 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 813033355 PCOGCLBDVMBNJL-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCc2ccccc2)nc1 815692507 SJPWSLMRKHFBHA-OAHLLOKOSA-N 435.444 0.601 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 815827042 JSKMGHAVXCWEFW-LJQANCHMSA-N 436.578 0.475 50 20 ICGD O=C(NNS(=O)(=O)c1ncc[nH]1)c1ccccc1NS(=O)(=O)c1cccs1 821127675 KQSNAMYBYRLXJZ-UHFFFAOYSA-N 427.489 0.895 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912919843 REKABUONFCYXFM-MDOVXXIYSA-N 429.521 0.862 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 916234420 DXTRGBYKTSJZFZ-KBPBESRZSA-N 426.539 0.922 50 20 ICGD CN(C)C(=O)CCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916624181 ZTQOWGMOLBNAIN-UHFFFAOYSA-N 436.476 0.811 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCCO 918002232 WJMQIKAYFFKBGF-UHFFFAOYSA-N 427.421 0.186 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 918779417 RVFLCWIJMWGNCE-UHFFFAOYSA-N 434.460 0.404 50 20 ICGD COc1cccc(-n2ccnc2SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919883147 BCEANYSTWYXWMD-GFCCVEGCSA-N 439.519 0.491 50 20 ICGD C#CCN1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 919963183 KSHQKOBRKAFAEX-UHFFFAOYSA-N 432.546 0.967 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccc(OC)cc2)cc1 1319120736 BIJDJEBUJHUHEZ-UHFFFAOYSA-N 449.485 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1779028530 MREXYTMSVYCECF-SIAOZKNOSA-N 436.472 0.237 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Cl)o3)CCO2)C1 1779030253 LXMHNAKTDDQZAI-LJQANCHMSA-N 433.852 0.689 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1O 1779037324 VZDXTSJODBBHFM-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1783936179 FHWMIMIBSKGESP-HSZRJFAPSA-N 446.548 0.749 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1783973427 ALONSWRLTHZIPN-YTFOTSKYSA-N 430.343 0.523 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975169 DSJYBUANPUTEQF-YGRLFVJLSA-N 444.248 0.526 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784174550 DOZBQCVMXGJOFB-RSFOSLOZSA-N 431.827 0.782 50 20 ICGD C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC=CCC1 1784754432 ABHRHAZGLYYDSR-FGZHOGPDSA-N 427.505 0.875 50 20 ICGD COC1(CC(=O)N2CC[C@@]3(C2)CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CCO3)CCC1 1784866351 ITFPEIPFBCRITL-ZHNJOBQTSA-N 445.520 0.910 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 1785336197 NZMWBDJLEHQCDB-AJNGGQMLSA-N 443.953 0.711 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785696151 ZDAURTUGDVGXGL-NHCUHLMSSA-N 449.458 0.874 50 20 ICGD Cc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787619922 YIJNWTUODUKLEX-OWQGQXMQSA-N 443.529 0.962 50 20 ICGD O=C(/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)NC1CC1 1788142113 BBTKXDAVVVWYKN-SEYXRHQNSA-N 447.300 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccccc34)[C@H]2C1 1788334388 DZDBNHLHBPMZJN-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1792784572 MXBGXCWMRYJVAE-YWVIFJGQSA-N 440.884 0.611 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)N(C)C(=O)OC(C)(C)C 1792978448 CORCJTPCYKKOPA-NIFZNCRKSA-N 433.933 0.431 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1C[C@@H]3CC[C@H]1C3)C2)c1cccc(B(O)O)c1 1795740628 IZTRRPJFJNHNEE-PJALCMAUSA-N 426.322 0.396 50 20 ICGD COc1nccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1F 1796353139 JNRGKZGELGHNPX-CLLJXQQHSA-N 442.451 0.793 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)c1ccccn1)C2 1796892112 IJWFFHPCAACKIG-PITIFXTCSA-N 437.504 0.854 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(OC)c1O 1799667218 ITHQNVXRKQKGBM-LMWOUKEDSA-N 442.896 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C2 1801008940 IZSDJRZQAITOND-SIUYQDCVSA-N 446.523 0.892 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803143131 UVXTVCMGFCJNGV-SGMGOOAPSA-N 437.802 0.793 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1805385326 WNZCBVTXRGSCAG-CRAIPNDOSA-N 446.386 0.899 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807375249 NONJJEKKADRFKN-DYESRHJHSA-N 448.288 0.945 50 20 ICGD O=C(c1cnnc(Cl)c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968694 AGUIFYWYCSQNBA-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1 1810302076 FNWMOXSDWJPFHJ-CJNGLKHVSA-N 436.432 0.097 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1c1cccnc1 1810302982 ODGAMMOSJLUUDY-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(F)c[nH]1)CC2)c1ccc(B(O)O)cc1 1815348602 RLVWANXQZPWFQD-ZDUSSCGKSA-N 428.254 0.830 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cnn1C 1817473106 GCDPDALCQTUEMX-GOSISDBHSA-N 436.281 0.751 50 20 ICGD Cc1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819950322 XGSPXSIIJVYEHG-QGZVFWFLSA-N 434.265 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820248908 UHSAKBIHLAZECT-AWEZNQCLSA-N 430.469 0.172 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)N1C[C@H]2C[C@@H]2C1 1826087636 HADAYIKINDWIQX-KBUPBQIOSA-N 448.593 0.768 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n[nH]1 1826087773 KPMBMLKRADCZGO-GFCCVEGCSA-N 433.538 0.702 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523379 ZNBWWLBVIIYMBA-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829944742 MYWPZLHSPGBBSQ-LBTNJELSSA-N 446.342 0.000 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831651646 SEKYNJQUQCBHDL-JTDSTZFVSA-N 427.933 0.778 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833203592 RBZMCAUQAXSXCZ-JTDSTZFVSA-N 428.917 0.229 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833438658 BYMNRASOQHOJKB-IFXJQAMLSA-N 428.917 0.906 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1834819322 NGVRZJBGTKGYAP-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)CN1 1836413983 SPUINOPDJLQHRO-ABAIWWIYSA-N 433.322 0.385 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836827435 BOKUNRSSPKZSCX-JXFKEZNVSA-N 434.880 0.300 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1 1838352527 LOUUVXUXGKZAEX-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Br)CC)CCO2 1839963365 IRQWELNXPDNDDL-HEAGNNNHSA-N 447.326 0.736 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840658621 DABRJYLLJNOMID-DYESRHJHSA-N 438.908 0.681 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839640 XYJZEYXPVNSIBP-UWOMVZDOSA-N 433.299 0.647 50 20 ICGD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1)C(=O)O 1841924557 ZQPJVAMQPQDDPG-OLZOCXBDSA-N 446.932 0.385 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3cccnc3n2)C1 1844023493 RKLOWTKJRKNODU-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)N1CSCSC1 1844319724 LVLWPUCJCJOLAO-CQSZACIVSA-N 429.612 0.606 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C(=O)Nc2cccnc2)C1 1844341489 STMSHNXXIGQVMG-AFUMVMLFSA-N 437.460 0.358 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(C#N)c1 1845139098 CNYYYHNFIVPWAR-UHFFFAOYSA-N 448.483 0.625 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1846410186 FEYUINMJIXCBRN-BFUOFWGJSA-N 431.917 0.161 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H](O)c2ccccc2Cl)C1 1846508824 JDTQRGJZFARUQT-GOSISDBHSA-N 428.681 0.570 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc(OC)c1OC 15792590 HUMBOOOTHKCKLL-GTJPDFRWSA-N 448.476 0.974 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1OCC(=O)O 726154942 CINCMTARJAPWPC-UHFFFAOYSA-N 425.419 0.099 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 727146597 WNZINIJALHGYRD-KGLIPLIRSA-N 426.495 0.770 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 727761539 MKAPDHQFEXXFPJ-OAHLLOKOSA-N 446.533 0.432 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 728512056 KLDLZRBQECTHRQ-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCNC(=O)c2n[nH]c3ccccc23)n1 728730753 VFWSAYRSPAGOTB-UHFFFAOYSA-N 444.473 0.381 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1I 729274579 UIJZCUZPFSARCI-QMMMGPOBSA-N 425.248 0.298 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 730780396 WJHNAZJKSPVVFP-WMLDXEAASA-N 433.461 0.900 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 730908523 UIUSKEBYVALVQU-UHFFFAOYSA-N 442.476 0.235 50 20 ICGD Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734242028 OHUMEBSQIOHRBH-UHFFFAOYSA-N 445.480 0.538 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)CNC(=O)c3ccco3)n2)cc1 735007590 PVRVFLPHHFHOPB-UHFFFAOYSA-N 442.432 0.385 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 735445264 QNCVFCRIBBNCOZ-LBPRGKRZSA-N 436.450 0.190 50 20 ICGD CCc1ocnc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 739470701 JYUWKSLYTOIZQQ-UHFFFAOYSA-N 436.490 0.652 50 20 ICGD CN(C)Cc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 741286879 IACJSWUPWXUQFQ-UHFFFAOYSA-N 432.550 0.836 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(-c2nnnn2C)c1 742024992 GNDNPFKNHGUCCC-UHFFFAOYSA-N 432.462 0.664 50 20 ICGD CCn1c(NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)nc2ccccc2c1=O 742518421 BGWBRQFJFNJTBT-UHFFFAOYSA-N 429.458 0.432 50 20 ICGD O=C(NNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 742578049 WFEMYQFQWJCFSO-NSHDSACASA-N 438.384 0.929 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 744585238 BGURSGPBVXOMNM-UHFFFAOYSA-N 435.458 0.795 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 745414073 XNIOECOCSDZRFJ-UHFFFAOYSA-N 435.487 0.590 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)cc1OC 746704280 XUSTYKKHAJATFC-UHFFFAOYSA-N 428.492 0.688 50 20 ICGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748360468 PQHNNSRQRRHBTK-WMZOPIPTSA-N 440.456 0.698 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 756096512 GSJBMSBMQLCFMY-UHFFFAOYSA-N 434.400 0.248 50 20 ICGD CCCc1cnc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 756162380 BGNFZQMCZLOVAL-UHFFFAOYSA-N 439.519 0.746 50 20 ICGD Cc1ccc(-n2nc(Br)cc2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758024432 FHZTYPCOIBPSEZ-SNVBAGLBSA-N 444.311 0.642 50 20 ICGD Cc1cc(C(=O)NNc2nccc(N3CCOCC3)n2)cc(S(=O)(=O)N(C)C)c1C 762856371 NBVPVKGRIGJTEK-UHFFFAOYSA-N 434.522 0.937 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1N1CCOC1=O 763573246 RCVHCRBZUKEMHI-KRWDZBQOSA-N 440.412 0.878 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 763622843 GVGDYIFKQYJVJX-UHFFFAOYSA-N 433.428 0.671 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763728363 MBSJXYWPXAFAMB-UHFFFAOYSA-N 440.456 0.777 50 20 ICGD CC(=O)N(C)c1ccccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763945053 SWDOELKTAUHXCT-UHFFFAOYSA-N 436.428 0.960 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c2ccccc12 764106375 LOKUPDTYOAIYMA-UHFFFAOYSA-N 425.401 0.823 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 764397642 LGCNWNMHYHARKW-ZDUSSCGKSA-N 447.517 0.843 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 764428750 KQCUBHXHVAKHNK-WTPASJBYSA-N 445.497 0.637 50 20 ICGD COCCCS(=O)(=O)NCC(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 770163954 BCWYCWVNCGJBMW-UHFFFAOYSA-N 436.490 0.376 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccnc(Br)c1 771562122 VHJWBQCVXKPDSL-SECBINFHSA-N 442.295 0.753 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 773479822 KQTAFPZPXFRJFN-XYGWBWBKSA-N 445.505 0.988 50 20 ICGD CN(NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776206505 UBPORTTUVQYYTE-UHFFFAOYSA-N 430.483 0.932 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780388539 DDZQQOWJFLAMQY-UHFFFAOYSA-N 445.441 0.594 50 20 ICGD COc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CC3 782225729 ZLBSYKCUPJDHOO-UHFFFAOYSA-N 442.501 0.722 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCS(=O)(=O)C1 783425041 ABKGHFUIKFECFW-FQEVSTJZSA-N 446.533 0.808 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCS(=O)(=O)C1 783427179 MKCTUIVWBHDUAH-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CSc1ccccc1OC 786416658 HPARLLKJIROQDX-UHFFFAOYSA-N 435.462 0.484 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1 787541446 SBLYNKRVSKNJHX-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1S(N)(=O)=O 789821454 TWRSOBRPQREVGY-RDJZCZTQSA-N 446.485 0.301 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(F)c1 790386215 LTMHMCQIRHUODY-UHFFFAOYSA-N 445.494 0.773 50 20 ICGD CN1Cc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc2C1 797369236 QTSANFVFQQPYMY-UHFFFAOYSA-N 425.445 0.644 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)=NO1 798885976 ZGGCAMFZLIPJGJ-GFCCVEGCSA-N 440.478 0.521 50 20 ICGD Cc1nn(C)c(Br)c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 801183577 RMADRXOYUQJVJV-UHFFFAOYSA-N 444.149 0.931 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 807075600 FRPCTNDDJRHDAO-UHFFFAOYSA-N 429.437 0.815 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 808010658 HGYKOTAULFDAKA-AWEZNQCLSA-N 446.508 0.426 50 20 ICGD O=C(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 810067170 RFAOHEZOCKLWOM-LLVKDONJSA-N 431.371 0.746 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)C1 816510611 ANJSJTQDZOMXBW-ZDUSSCGKSA-N 445.476 0.897 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 913455063 HHOZFACCTQKRRW-UHFFFAOYSA-N 449.485 0.793 50 20 ICGD O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 915901842 LBSLAVNORDEWKG-NRFANRHFSA-N 439.516 0.975 50 20 ICGD O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916579621 HEQRXTPYGZEYDC-HNNXBMFYSA-N 435.550 0.899 50 20 ICGD O=C(Cn1nc(-c2ccccc2)ccc1=O)NNC(=O)c1csc(N2CCOCC2)n1 916746340 MGUCOBBIKYEMHR-UHFFFAOYSA-N 440.485 0.665 50 20 ICGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917545099 PFNFWYDHVIPAMC-INIZCTEOSA-N 444.579 0.192 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2COCCO2)cc1 920854660 PBWKYZUQSNJNFW-LZOLKVDOSA-N 439.472 0.873 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1320073075 YFBCUOKEAUBYKK-KDOFPFPSSA-N 425.511 0.825 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1 1326396558 HGIJNSQNIUGKPX-KBPBESRZSA-N 429.539 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1778626545 UPUUOIJDZWQNTG-OAQYLSRUSA-N 446.483 0.519 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778873871 CVFUPWQCESLQBI-CWFSZBLJSA-N 437.880 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1779030492 AWAUTJIYMFMBEF-QFIPXVFZSA-N 437.456 0.012 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780620655 PQGAYTJSXYPQEF-MJCKSOBWSA-N 429.521 0.859 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)CC2)CC1 1781334009 LISMGVHLRDJVDV-RHSMWYFYSA-N 447.349 0.287 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933279 UHZOVRYKEBLAAD-QFIPXVFZSA-N 448.520 0.277 50 20 ICGD Cc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979429 IAPISLPSMSBTQW-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507261 MWGMJESTHUXBPO-GLYSVQQSSA-N 433.509 0.525 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1(c2ccc(NC(=O)Cn3cnnn3)cc2)CCC1 1788262799 OXFOHELJYRLHGA-VULFUBBASA-N 449.475 0.941 50 20 ICGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788490944 FGMHINQNMPCIMD-BNXPFKJGSA-N 427.336 0.815 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Br)CC)[C@H]2C1 1790961229 XKILZFGYHPAKJP-YTFOTSKYSA-N 447.374 0.847 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccs1 1791546960 RPALTTGYSYKIAK-XIVBQZFQSA-N 442.346 0.825 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792244122 KNVQDLSDMVTLMM-FUJDEKNSSA-N 437.924 0.384 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1F 1795740911 OZDUTYUDZGJMPY-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(OC(F)F)cn1 1796188311 OEMIYHAVUHTICK-MUJYYYPQSA-N 445.231 0.928 50 20 ICGD COc1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)ccn1 1796188395 YZAAGNCHVKVUHV-ACDBMABISA-N 437.305 0.655 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)on1)C2 1796441269 QKRFUNBRHBEBEU-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797938194 YEEITYWDLPTGED-AQDIXCGQSA-N 426.311 0.782 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)nn1C 1798191794 VSJPVNCSZHKZGZ-MIJXAVMKSA-N 438.834 0.896 50 20 ICGD Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)c2ccccc21 1801014733 AGIOPZMSPFQFDO-DRXBFXEBSA-N 441.315 0.733 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801321960 IIPSSYNPGUASJP-IHSNIMORSA-N 449.577 0.525 50 20 ICGD Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)c(=O)nc1O 1805529170 PMPRPDILMIENFE-CQSZACIVSA-N 426.901 0.088 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806387424 VZHWNEOIHGIVMJ-HNNXBMFYSA-N 425.913 0.787 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807869569 HEWAIHZJXCYWFE-MNTZXMNTSA-N 449.475 0.653 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(F)c[nH]1 1812912889 FGRJJSFDJNGABL-UZLBHIALSA-N 436.252 0.862 50 20 ICGD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354973 KBSDMYMRBMIIPT-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815774273 ZSUVRKZDZNPSNC-WCQGTBRESA-N 426.861 0.254 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)c1ccc(B(O)O)cc1 1817470469 RUMSOOBHSZPTQN-GOSISDBHSA-N 425.298 0.491 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793057 JJYQOUWSLFESMJ-XMZIXOGTSA-N 446.533 0.774 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826088109 AQMVFMSOXJLWRC-ZIAGYGMSSA-N 436.582 0.770 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059665 SNKSABZTPDDMNN-OALUTQOASA-N 444.341 0.047 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1830535292 LXGOZLCBZXCDGI-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720189 VAKUREBYJQQRMX-APWZRJJASA-N 447.315 0.775 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1O 1830732961 CSMPBHOPELDKRH-FOIQADDNSA-N 442.896 0.461 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830798163 CZSRWBWZCUKPAV-QRWLVFNGSA-N 448.944 0.555 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccncc2=O)CC1 1831874057 AFHLSLOXPLNPJR-GOSISDBHSA-N 446.552 0.236 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(F)cn3)CC2)CC1)[C@H](O)CCl 1833310895 XXMNTJSSABYXRK-GOSISDBHSA-N 426.920 0.935 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834543218 ITRVFGNTNYBJBH-AUUYWEPGSA-N 428.938 0.907 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)C(C)=O)CCO2)C1 1834717441 WMONPWQWTPCXSH-FQEVSTJZSA-N 449.416 0.179 50 20 ICGD CC/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801520 SNXOFBHYTYFAJQ-YAXRCOADSA-N 427.354 0.908 50 20 ICGD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835378040 MLDKCKDZPAAJAP-DOTOQJQBSA-N 436.322 0.619 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835482210 HMCIUJJRGZDJHZ-LJQANCHMSA-N 428.021 0.823 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1835934454 SWZIFWURTRVEHD-HSZRJFAPSA-N 442.321 0.017 50 20 ICGD Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)on1 1837093640 DZBUFVRTRXQLPO-UHFFFAOYSA-N 449.552 0.897 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715374 MOSRVEVTRFQEPR-UZLBHIALSA-N 428.602 0.867 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035630 YEXNQUDEFYVJEL-SUMWQHHRSA-N 429.315 0.431 50 20 ICGD CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccn1 1840327582 PTOVDNUJSNVKNN-YWZLYKJASA-N 425.913 0.415 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)CC2=O)c1 1841349011 ZDSCJUSYAJCRJS-RHSMWYFYSA-N 435.908 0.851 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843013136 NJVMXCGCYAMNHO-NHCUHLMSSA-N 434.301 0.996 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1843417151 CNQMIOYIMOCUSE-OEAKJJBVSA-N 425.449 0.193 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265219 GWMNNVHBRJTCTC-CYBMUJFWSA-N 446.508 0.415 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2)NC(=O)NCc1ccccc1 1845038573 URIWGRBVNPHYAZ-UHFFFAOYSA-N 439.520 0.433 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1846410189 FEYUINMJIXCBRN-YJYMSZOUSA-N 431.917 0.161 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 15877158 HBPXQOTZZAKLKY-UHFFFAOYSA-N 433.486 0.856 50 20 ICGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 22021442 VWHAIDNWOVCUFV-UHFFFAOYSA-N 432.505 0.451 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCCc3ccccc3)cc2)CCN1 727716174 DCRNRQGTBPJFOG-UHFFFAOYSA-N 444.513 0.591 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728343663 YSUNXVDRNSNFMF-LPHOPBHVSA-N 439.424 0.495 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1=O 729627403 JNMTYABLRIJEKU-WCQYABFASA-N 426.315 0.871 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C 732594421 BADAJSOTRSAMLB-MRXNPFEDSA-N 438.488 0.950 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc(S(N)(=O)=O)c1C 734262191 APPKQVNBKIQDDJ-UHFFFAOYSA-N 429.499 0.420 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([N+](=O)[O-])s2)CC1 735117587 YOBLDFHOWRTPKS-UHFFFAOYSA-N 426.480 0.744 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 740851206 UQIRWCOMKHQUKS-UHFFFAOYSA-N 449.533 0.300 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 740852645 GYDOMNVWORCIAU-UHFFFAOYSA-N 430.914 0.946 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742469842 JARDEHVDORSECL-IONDEXAJSA-N 429.473 0.807 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1C 745918970 PKQWTTVEFDWCKJ-BBRMVZONSA-N 427.465 0.500 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 746300712 XJRYHIMECIRDLL-UHFFFAOYSA-N 447.473 0.372 50 20 ICGD CS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747867486 YZMLLXFMJGBACR-LJQANCHMSA-N 430.530 0.989 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)C(=O)N2CCCC2)nn1-c1ccccc1C(F)(F)F 748246655 FMFRGOBFKVXSHD-UHFFFAOYSA-N 437.378 0.943 50 20 ICGD CCC(CC)[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCOCC1 750510253 LZXVIYPLUXIDJY-ICSRJNTNSA-N 449.504 0.654 50 20 ICGD CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 753122287 XPFFIOWNYTXRIC-JYCIKRDWSA-N 438.535 0.241 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 755534045 NRWQDJXUHVAAQF-ZDUSSCGKSA-N 435.462 0.789 50 20 ICGD C[C@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)n1nnnc1C(C)(C)C 757676486 ANQVLKZVOMMPRO-MRXNPFEDSA-N 428.541 0.891 50 20 ICGD O=C(CSCC(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCCCC1 758535204 MYQTUCJQUPCJDC-UHFFFAOYSA-N 442.401 0.559 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758535814 SMXUHXUFJXNCBZ-UHFFFAOYSA-N 443.323 0.531 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1 759276631 AAAUFHVFBOTJCR-UHFFFAOYSA-N 446.529 0.457 50 20 ICGD Cn1cc(-n2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)ccc2=O)cn1 760842426 YZPURMHYHDLHGK-UHFFFAOYSA-N 429.820 0.842 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 761685666 NDQWUJJDXGKZNP-UHFFFAOYSA-N 444.579 0.627 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2C)OCO3)c2ccccc2c1=O 763786433 OBRAINQKVFDEBF-UHFFFAOYSA-N 437.412 0.853 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 763919662 WVKUJOVOVGSTRN-UHFFFAOYSA-N 430.440 0.410 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC)c3O)cc21 764131456 PBLPLSWSKSWKJK-UHFFFAOYSA-N 441.444 0.893 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764158249 ADJVXPNCGGFBHH-UHFFFAOYSA-N 425.445 0.966 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 764227333 NHOQRSUQLMQJQL-CQSZACIVSA-N 447.517 0.347 50 20 ICGD Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764426410 UOZRQQZGZXZUPD-LJQANCHMSA-N 438.440 0.947 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 765738523 KYEAKOGCQCTFQC-UHFFFAOYSA-N 425.445 0.087 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cc1 765748349 CBDVFROBAZFUQS-UHFFFAOYSA-N 448.527 0.562 50 20 ICGD CC(=O)c1c[nH]c(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 766635853 HBMXIMOVYXDVDS-UHFFFAOYSA-N 447.517 0.293 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1 766641830 NGRJJGNEGXLALK-UHFFFAOYSA-N 439.516 0.907 50 20 ICGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 767443544 ZUQZXNYBVPNJKM-LBPRGKRZSA-N 443.526 0.671 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 767853717 WMQNQKJBWHHECB-UHFFFAOYSA-N 440.504 0.779 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772196798 RITHUIZLCZCCRM-UHFFFAOYSA-N 428.829 0.204 50 20 ICGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCOC1 780862370 XHACZOHLFLTEPZ-LSDHHAIUSA-N 426.543 0.459 50 20 ICGD CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782966209 LTYIBALRIWWWEJ-UHFFFAOYSA-N 447.673 0.866 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(CN(C)C)c2)nc1 783263206 IJBYJFHSZADSNH-UHFFFAOYSA-N 434.522 0.912 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 784917215 HLSRQIVOFBNIGY-UHFFFAOYSA-N 438.510 0.568 50 20 ICGD NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(F)cc1 786390673 IXMMKKAFJHGYCX-HNNXBMFYSA-N 436.827 0.679 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O 787542222 HYNLGGQIWDUCQH-UHFFFAOYSA-N 425.445 0.949 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C 793203159 SNTOIUBABAFUPB-QFIPXVFZSA-N 437.456 0.857 50 20 ICGD CC(C)(C)c1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797369352 SYMZMBZMBNFGHO-UHFFFAOYSA-N 428.449 0.786 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799258365 AAORHCWPGAMEOA-LLVKDONJSA-N 430.392 0.734 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)cc1Br 801018670 WESRJRVFAGPNIK-UHFFFAOYSA-N 435.300 0.482 50 20 ICGD O=C(NNC(=O)c1nc2cccnc2s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 801102476 SVUPWUUKUMUBSG-UHFFFAOYSA-N 447.498 0.787 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[C@@H](C)O)cc1 802122261 IAQPFRHJJGPNAT-RDTXWAMCSA-N 449.533 0.942 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 802527898 NBTMWKUYVMJNIH-CYBMUJFWSA-N 434.478 0.108 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H]1CCOC1 812225277 BXMJVBZBEWRNOR-BFHYXJOUSA-N 432.543 0.690 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1nnn(-c2ccn(C)n2)c1C 814578581 ABGLTXBKLFTCFC-UHFFFAOYSA-N 447.839 0.589 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c1 818764154 XOEUQDYJMZDIMF-AWEZNQCLSA-N 441.282 0.806 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 844771519 PRYLJVNUDAUCLB-MRXNPFEDSA-N 449.441 0.202 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)NC(CC)(CC)C2=O)c2ccccc2c1=O 884734684 SPVPGIFIALOMRL-UHFFFAOYSA-N 442.476 0.678 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 912861127 XKGQHXUZHLZJGN-CYBMUJFWSA-N 437.449 0.922 50 20 ICGD O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914665321 SERBYZFNZDPXTO-OAHLLOKOSA-N 428.405 0.748 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccn2)CC1 916389788 DVEVZIHELSEIGZ-UHFFFAOYSA-N 426.477 0.749 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(C)(=O)=O 917294137 GMJZUSVINKQFEZ-MRXNPFEDSA-N 448.453 0.543 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1317770636 CLOYUWBYVOKWIN-UHFFFAOYSA-N 427.494 0.762 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 1322957864 PEMIIGMCBNLEGR-HXUWFJFHSA-N 437.497 0.501 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778015657 UBSWIVNAULUYOT-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD O=C(c1cc2ncccn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778465388 LAGNKLVHUMPIHP-CZUORRHYSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1779037118 OTTNCWYQFUGFKF-CQNRTFJUSA-N 429.502 0.004 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780492993 SMUAIVAQEITGDD-NRFANRHFSA-N 430.216 0.402 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780821381 OKNPCFZKUQHCLI-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783530367 XAWGGYBLZPOXFT-SCLBCKFNSA-N 441.326 0.748 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406055 FVUYPHADDPIQCU-AVGNSLFASA-N 435.388 0.235 50 20 ICGD COc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789076147 DMJGDPAWMHVSBP-DZKIICNBSA-N 438.550 0.723 50 20 ICGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](Cl)COC)C[C@@H]32)nn1 1789398763 TUQBVTYPCZNNBL-YXWQFLTLSA-N 426.901 0.722 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(F)ccc1F 1789437030 JKHXWKAFXJIUMT-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1790961458 KAQYXJFPVHZLSC-SYEHKZFSSA-N 443.298 0.655 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)O)[C@H]2C1 1791049924 UOHQMSZCOJUMSR-BMGJLBJMSA-N 435.433 0.494 50 20 ICGD CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791218379 CTYUKCPZXNUEEZ-RUUNMTHFSA-N 445.520 0.715 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3F)C[C@@H]21 1791290629 DNGYYAJCCULTOO-OWQGQXMQSA-N 438.475 0.931 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2 1798476906 QIVGGRAXICYUGN-FRDLFTECSA-N 433.299 0.903 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1CCN(c2ccccn2)CC1 1799087207 DSOVAHIELOWOKJ-SFNKJDCFSA-N 436.940 0.487 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803917825 SUBRKIUHJAAVAH-TWOQFEAHSA-N 448.907 0.656 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362712 HOKBIPPBKPQCIO-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367552 SLQKVMVDNLOFEA-JBINPLMMSA-N 449.341 0.956 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(O)cn3)C2)CC1 1808851854 XBXWVNLIMVHNGE-UHFFFAOYSA-N 438.488 0.944 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974667 ZHVYLXTVSQLDKQ-INIZCTEOSA-N 446.309 0.773 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1810294681 MCOQTEAADLLOTL-DYESRHJHSA-N 432.484 0.813 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1813030589 DOMIHSUVJCIFMB-HLLBOEOZSA-N 441.985 0.825 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1(O)CCC1 1814422356 KUBYZRGJCDVSOC-KDOFPFPSSA-N 440.309 0.947 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2)c1ccc(B(O)O)cc1 1815337958 YAIXZTKVGGHTEI-NSHDSACASA-N 429.292 0.214 50 20 ICGD Cc1noc(N)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339939 WCXPRQMDBMVBCU-GFCCVEGCSA-N 441.278 0.241 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cncn1 1817474892 IEMAKUVPWUNWQE-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncccn1)CC2 1819794682 BGHGAIWYVODMEY-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)[nH]n1 1822371960 VSJKDJCOBUNXQZ-OCCSQVGLSA-N 437.884 0.971 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1826000202 OHKSXRHOEUJEJF-NXEZZACHSA-N 433.987 0.793 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)o1 1827113836 XMURLCWNFOSWBS-IBGZPJMESA-N 440.309 0.534 50 20 ICGD COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)CC1 1830534825 CLYIYLJCMGSKRF-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830544343 VMPRSHFWHXOYOF-IIDMSEBBSA-N 434.375 0.814 50 20 ICGD COc1c(C)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830733689 RATYFUNUGHZSDR-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc(F)c1F 1830738872 WJYNLVVQCXUHCB-DNVCBOLYSA-N 432.851 0.943 50 20 ICGD Cc1csc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1831781973 GZETZFRBZFVTLU-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832790988 CGTQSCCNKTVTAY-AUUYWEPGSA-N 444.916 0.446 50 20 ICGD C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833475484 DAQOWWFWXAIIAO-QGZVFWFLSA-N 443.353 0.143 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc(Cl)nn1 1835881624 XAXDKMVUBIPSAD-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1836333937 QHGMXYVGRLPGNF-XLIONFOSSA-N 442.944 0.288 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838089184 UKKSVVQUEFVDKW-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n[nH]1 1839153360 HLLCMFXCGRBICH-ROUUACIJSA-N 433.336 0.953 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840153904 FJAJSXZEQQQIFB-SUMWQHHRSA-N 435.308 0.397 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccn1 1840504549 OFIXGACPKWTGBI-VGSWGCGISA-N 447.536 0.015 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1841300692 QBXUHWVJWOXZGD-MNOVXSKESA-N 438.294 0.766 50 20 ICGD O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350390 ZDNNIAVLPKGJCL-MRXNPFEDSA-N 433.892 0.866 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353787 PJTADRLUQQTBLT-STQMWFEESA-N 447.916 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cn3ccsc3n1)C2 1844264474 WMLXRYWSEJBRPM-UHFFFAOYSA-N 425.474 0.525 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1846073184 QBTKXJNLLCDJSE-LBPRGKRZSA-N 427.299 0.634 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846175329 SGGONVBQYOTWPJ-NEPJUHHUSA-N 434.331 0.859 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559537 IIXHMWMVTPIIRC-ZQDZILKHSA-N 431.917 0.424 50 20 ICGD COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 9890002 LVNOGOKYXFPSLC-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 21875140 BTNKBFDXUDVTNZ-KRWDZBQOSA-N 433.486 0.959 50 20 ICGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cc(-c2ccccc2)on1 27263460 BCLRDCXQUWZRPF-UHFFFAOYSA-N 425.426 0.841 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(=O)[nH]c(S)nc2c1 46659987 XTFJBUNKFVTJLI-UHFFFAOYSA-N 432.487 0.580 50 20 ICGD O=C(CN1CCN(CC(=O)NC2CCCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 728573439 RRUZZLZVULCMDJ-UHFFFAOYSA-N 446.508 0.422 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1COc2ccccc2O1 731873852 AERXPCMEBDJCIR-IAQYHMDHSA-N 430.373 0.780 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)C[C@@H](C)O1 732262458 TUKUBLQAPUJXLW-TXEJJXNPSA-N 441.414 0.941 50 20 ICGD CC[C@H](C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccccc1 732474640 RSWVVAYTYHECJO-IRXDYDNUSA-N 426.539 0.999 50 20 ICGD O=C(NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)c1csc(N2CCOCC2)n1 733885183 UBCDKHXBRSQCSW-HXUWFJFHSA-N 431.518 0.378 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Br 735028156 NUYPPZXGMVPZRG-SNVBAGLBSA-N 425.326 0.810 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(CN3CCOCC3)c2)n1 741335624 FIBVNGYJLCETAB-UHFFFAOYSA-N 432.502 0.831 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745003252 BOPNOZDHWHARJU-UHFFFAOYSA-N 436.471 0.488 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 746340253 XVPMERYBAXAYQV-LBPRGKRZSA-N 436.412 0.587 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 746519127 FAIVKTJCIOINMI-UHFFFAOYSA-N 430.446 0.296 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(CN2CCS(=O)(=O)CC2)c1 747327630 NSMGAFINKMABHM-IBGZPJMESA-N 445.497 0.518 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 748625808 VKPMNNNLNILGTN-OAHLLOKOSA-N 436.509 0.611 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 750150507 XWJKGWMJEBKVFV-UHFFFAOYSA-N 426.472 0.786 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206933 OMWUZJFAPJMJKA-FKIZINRSSA-N 433.465 0.294 50 20 ICGD CC(C)Oc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757984746 IURAOIRPWKHWCL-UHFFFAOYSA-N 447.427 0.213 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc2c(s1)CCC2 763014386 VOXPIPSHYSQIHM-SNVBAGLBSA-N 436.515 0.464 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc(N3CCCC3=O)cc2)n1 763111616 BYQAGMCSVSVURK-UHFFFAOYSA-N 446.485 0.890 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1 763658987 GPWFWJAOILHJJJ-UHFFFAOYSA-N 442.428 0.812 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)n1 763880205 CQBWCEWFUTZOMQ-UHFFFAOYSA-N 426.477 0.799 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccnn1-c1cccc(Cl)c1 763997301 JEEPFPDKSBKYSC-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764004226 NGTHUTBIRPGGBN-UHFFFAOYSA-N 433.442 0.569 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CSc1ccccc1O 764048516 ZDJOFSDYKPHUDV-LBPRGKRZSA-N 434.499 0.870 50 20 ICGD Cc1cccc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227352 NNCRGJAICMTHPT-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 764435310 UIJDYCGEEOHWJX-AWEZNQCLSA-N 446.382 0.043 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2csc(Br)c2)n(C)c1=O 764813160 VAXKFFWJTMSSOM-UHFFFAOYSA-N 425.268 0.408 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 765376458 QLDDNJMBPGGAGD-UHFFFAOYSA-N 442.494 0.974 50 20 ICGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663027 IQHLQSFETZOVFL-UHFFFAOYSA-N 449.899 0.800 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)CC2CC2)nc1 767235312 YHDDMLCNLHCZLK-UHFFFAOYSA-N 433.556 0.563 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1 773478093 GDXFUYOUUCHIMP-UHFFFAOYSA-N 435.510 0.492 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1CC(=O)O 774615888 UMRBWENQWGEUMM-UHFFFAOYSA-N 442.471 0.349 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1F 778436918 RIIFKINHBRNCEW-UHFFFAOYSA-N 431.442 0.474 50 20 ICGD CN1CCN(CC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CC1=O 780156820 UTYWTHSMXAFADY-UHFFFAOYSA-N 426.473 0.566 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)cc1 783349204 CJEBXVVOFRNRML-UHFFFAOYSA-N 441.469 0.713 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCS(=O)(=O)C1 783428018 SJUVUDSVJYDHFG-OAHLLOKOSA-N 447.395 0.892 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cc2)CCO1 785024018 QJMMPABRHQDQID-GFCCVEGCSA-N 443.416 0.925 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNC(=O)c3cc(F)ccc3Br)c2)CCN1 786885900 AQRSBEFKWMIGGS-UHFFFAOYSA-N 436.241 0.994 50 20 ICGD Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 787889089 KHOOVFZLOBMQIF-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C1 788169480 PGJNTUSUSQPCNZ-HOTGVXAUSA-N 437.566 0.955 50 20 ICGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Br 797001161 YPQMANJVYSWBAY-QMMMGPOBSA-N 436.259 0.417 50 20 ICGD Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2=O 804918372 NQTDBJRVGWHQSM-UHFFFAOYSA-N 436.377 0.648 50 20 ICGD COc1cccc(NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 806969071 WPQOEWAPDVHJNT-KBPBESRZSA-N 425.445 0.569 50 20 ICGD COC[C@@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 807551487 UKKGAKBIXPANIL-IBGZPJMESA-N 427.502 0.355 50 20 ICGD CCn1c(SCC(=O)NN=C2C(=O)NC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 814225627 VWUNTPMLOUGKTL-UHFFFAOYSA-N 435.853 0.549 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 815691767 ATKMGECFASOTJY-WUHRBBMRSA-N 429.506 0.987 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(Br)ccc1F 815692650 XLGNEZTZIGGJON-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 912608225 LKVZAJQUPMIOCN-MEYPQBBUSA-N 427.457 0.807 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 912999216 AWTXJWUOPPUKQF-UHFFFAOYSA-N 447.415 0.954 50 20 ICGD NC(=O)CSCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 914684342 OBMQFBKPUKWAHK-UHFFFAOYSA-N 425.474 0.368 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)c1 914830056 SDLNUMIFFQVJMI-RYUDHWBXSA-N 436.412 0.155 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2OC)s1 916232358 IQFBFAUGANJNJO-UHFFFAOYSA-N 428.492 0.574 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CC(F)(F)F)o1 918365958 HMGSQRGRGKFRLK-VIFPVBQESA-N 441.384 0.709 50 20 ICGD O=C(NNC(=O)c1n[nH]c(-c2ccccc2)c1Br)N[C@H]1CCS(=O)(=O)C1 920851975 SHUNDOSAQPBARV-JTQLQIEISA-N 442.295 0.970 50 20 ICGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1318545909 SMDFAEUPBGLPOS-UHFFFAOYSA-N 429.520 0.057 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778903500 WGPYSFHRCZACHB-XATUQGEJSA-N 428.338 0.930 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781998368 ZCPBBVYVWWLOKD-KYZVSKTDSA-N 447.374 0.991 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782315952 PEDHHJASMSMMNL-FOIQADDNSA-N 437.569 0.277 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)n1cnnn1 1782605055 WDEFDVUPTFIZRF-OZTPJHRESA-N 433.282 0.439 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnc1Cl 1783366630 VNZXQTBBGDFWTD-WBAXXEDZSA-N 443.696 0.322 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1783873958 ALTHUPYQSVQECK-SPLOXXLWSA-N 448.907 0.631 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)CCO2 1783937685 NBPXZAMJPBYQBM-PWHSHALESA-N 428.533 0.993 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)c2n1 1784090776 MTVUHBWFDVTNFD-HJWJTTGWSA-N 435.912 0.539 50 20 ICGD CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N(CC)CC 1784628505 YUCJOQVXOUAJGN-WJMWBRGCSA-N 445.369 0.080 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519829 DYQRLQRSBULJLO-BPUTZDHNSA-N 434.569 0.625 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984828 OHQOQVJCYQTVPQ-QSFXBCCZSA-N 426.253 0.413 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)cn1 1787251469 BPDPSHVAGMZTDQ-TUUVXOQKSA-N 447.916 0.754 50 20 ICGD O=C(COc1cccnn1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149431 RCFGXIGHWKSXHA-UHFFFAOYSA-N 446.272 0.983 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1791064712 FLNBHYWZOZHUKG-BJDJZHNGSA-N 432.344 0.660 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)nc3)C[C@@H]21 1791286738 INRGVBIKLPETSV-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792867760 KOESSHZFVBNCJW-APIJFGDWSA-N 429.359 0.889 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1795115288 VKRGXDUIQOEWQZ-JJLQDPRZSA-N 427.299 0.654 50 20 ICGD CNc1nsnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889801 RWPPCHCSGISMGO-YOADBGGHSA-N 444.521 0.966 50 20 ICGD O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797654695 YGATXJJFHLYMQJ-BZBKMWRSSA-N 431.205 0.467 50 20 ICGD O=C(Cc1n[nH]c2cc(Cl)ccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799078877 SWOWAYUPTHMGOR-CCVPWINHSA-N 441.315 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2sccn12 1799096697 YNDHWFIOEBLHSG-BTTYYORXSA-N 446.533 0.381 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803937784 AARKXQBJCYCKDF-SESVDKBCSA-N 436.321 0.175 50 20 ICGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806762001 MQCSUOPJNKDNDV-UWJYYQICSA-N 435.525 0.123 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362896 MNCZWJMGHGVAFG-PZJWPPBQSA-N 430.273 0.790 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367845 NMGCBEKWBILIQS-GHTZIAJQSA-N 437.305 0.386 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810827373 YCSOIUSEQCSAOW-UTKZUKDTSA-N 449.272 0.480 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)O)[C@@H]1c1cccnc1 1812855395 CGJUPWZPBRBCEN-SFZPGSKNSA-N 426.477 0.602 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@@H]1c1cccnc1 1813068582 OFWDOWLRMOGUAH-NNMXDRDESA-N 444.580 0.945 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1813096992 PLKVFFFEWUAKMV-OBJOEFQTSA-N 436.818 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCSC(=N)N)sc2C1 1814952020 NCNCQJXHIPSQIY-JTQLQIEISA-N 441.583 0.445 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348152 FSZAYAQOSCGBGW-QWHCGFSZSA-N 437.714 0.303 50 20 ICGD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815354905 XARSKAYDTYTCCM-AWEZNQCLSA-N 439.306 0.648 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cn[nH]c2)[nH]n1)c1cccc(B(O)O)c1 1817473853 CNDZVJADICPCNY-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817479125 HEZHSQMQZVAFQK-IBGZPJMESA-N 448.292 0.818 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819428415 DDRSHXQKIZLPLU-KFWWJZLASA-N 444.872 0.496 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)[C@@H](F)Br 1820936039 XYXSMXWVZXKUIM-LNSITVRQSA-N 448.293 0.743 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824708997 DLOVMOVDNWKNHW-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1cnccn1)CC2 1826092127 MXQNGYUJTAAQQA-DIECRNLCSA-N 443.533 0.932 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925984 WBCMNGWAJDIQRV-INIZCTEOSA-N 447.565 0.545 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732390 XAYBDINDQFROBF-SCLBCKFNSA-N 442.925 0.374 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735712 MAWLQLHBKYUYIE-UZLBHIALSA-N 434.880 0.300 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)N1 1834526851 LELWFONKAIZYMK-ZFWWWQNUSA-N 433.322 0.527 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834597132 VBPITHFSYITCPX-CJNGLKHVSA-N 433.230 0.400 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835292782 LDGPVHZFVFVDMM-ZWOKBUDYSA-N 426.897 0.430 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441396 WGAQOVZHJGHQJN-FXAWDEMLSA-N 431.961 0.573 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836807873 POOIOTQGUDYROR-UHFFFAOYSA-N 438.569 0.973 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837442559 ZPJMGMSGFKTGLH-BAOGCXAUSA-N 445.358 0.700 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838686879 IXXQZLFVTHPGFV-WIYYLYMNSA-N 448.907 0.746 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839147218 KHKXNVZLOZTYTG-HLIPFELVSA-N 430.977 0.096 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1840153667 XEJIBZOKCVLSHJ-LLYLOPHFSA-N 429.945 0.037 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840155446 CDJPITGCLGKROD-MDKPJZGXSA-N 437.924 0.733 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840227006 AWNBUKNGSCRCDA-LBTNJELSSA-N 446.342 0.000 50 20 ICGD O=C(c1cc(F)cc(F)c1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840717079 GHJOJFUOGHENQH-KBXCAEBGSA-N 436.814 0.774 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 10132687 AQPZYJFRZACFNV-UHFFFAOYSA-N 430.461 0.882 50 20 ICGD CCOC(=O)N(C)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 726979258 LWXWNSAFSOOARV-UHFFFAOYSA-N 440.526 0.887 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F 728502837 CRKBXIOUBWDTJO-UHFFFAOYSA-N 426.220 0.121 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2nc(-c3ccccn3)no2)n1 728721934 LFOJJIFWGPTGEV-UHFFFAOYSA-N 430.446 0.762 50 20 ICGD CC(=O)NCc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1 735118373 TZXSAOLFSXMRRO-UHFFFAOYSA-N 446.533 0.411 50 20 ICGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 740738638 LWYSDEIEBWTOOW-YVGXBJCXSA-N 432.454 0.943 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1OC 741881781 PGPRFVWEGCXUQK-UHFFFAOYSA-N 449.485 0.641 50 20 ICGD C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 743512376 UMEIRFDUTLFUHX-QGZVFWFLSA-N 449.519 0.817 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746097005 TVXFKLHISPQBIM-CQSZACIVSA-N 446.485 0.222 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 746591352 KOTJMVVUTXAMPP-KRWDZBQOSA-N 445.457 0.544 50 20 ICGD CCN(CC)CCO[C@@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 747501012 QLTHWYMTPPYTRF-GOSISDBHSA-N 433.557 0.867 50 20 ICGD O=C(COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 748383700 VHDRUDRHTQIRHM-UHFFFAOYSA-N 429.389 0.398 50 20 ICGD C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 751520892 KWXVBYZJBITWHM-IIAWOOMASA-N 436.582 0.964 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 753360796 VFBQEPFGLTWODU-AWEZNQCLSA-N 428.405 0.895 50 20 ICGD CN(NC(=O)CNC(=O)OCC(F)(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782653 VJLCDGCAJFTXHS-UHFFFAOYSA-N 441.407 0.911 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1OC 763543830 RFUMOGYNXKEFEW-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 763664573 YDLJLYJEASKXFO-UHFFFAOYSA-N 449.485 0.447 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763819558 DAAGPRVMQHFHDI-UHFFFAOYSA-N 431.474 0.121 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 764227331 NHOQRSUQLMQJQL-AWEZNQCLSA-N 447.517 0.347 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)cc2)CC1 764234852 LZBUGMDJUSITOF-UHFFFAOYSA-N 448.483 0.736 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1N1CCOC1=O 764277842 INLMPCJUSAHVOF-UHFFFAOYSA-N 428.401 0.822 50 20 ICGD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764424571 JGYXRHWPSWDDRT-OAHLLOKOSA-N 434.449 0.486 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764524436 MLMQUPNLFQLLRF-UHFFFAOYSA-N 440.504 0.749 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Cc1cn2ccccc2n1 765757879 GYCWNHVMWZBKPX-ZDUSSCGKSA-N 426.458 0.263 50 20 ICGD O=C(NNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 766321641 OIHHJEWSLMRKFK-UHFFFAOYSA-N 434.478 0.795 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 773416622 CNPPURKXLVSYOJ-OAHLLOKOSA-N 429.481 0.999 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNc1ncccn1 773719769 PKUYZGVWDNRMHO-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc1 779577722 GIVXOAQRHOODHK-NXOUGTEYSA-N 428.445 0.971 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 780927426 SEIVVILYVXDPSI-QGZVFWFLSA-N 445.520 0.601 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 785060603 IQYIUAZJFZUZMP-UHFFFAOYSA-N 438.835 0.897 50 20 ICGD Cn1nc(SCC(=O)NN=C2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 788422715 VHSJKYIAXGIJKV-UHFFFAOYSA-N 432.462 0.681 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797673534 FLRUCOPSRHRXJA-MRXNPFEDSA-N 447.473 0.859 50 20 ICGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 799520404 YBNRVSVQVSBPGI-CYBMUJFWSA-N 445.545 0.932 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1OC 804953917 CCRGLDNVGABSSN-UHFFFAOYSA-N 432.462 0.987 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 813033918 RFJQMYCLBNKDMZ-UHFFFAOYSA-N 445.501 0.911 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)N(C)c2ccccc21 815263475 KTCGFNRXTSKJPJ-ZDUSSCGKSA-N 433.490 0.336 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 815752034 ZCRROVFXGPGKDL-UHFFFAOYSA-N 429.462 0.804 50 20 ICGD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 873767307 DUVMQXDCPCYSSF-LJQANCHMSA-N 444.513 0.671 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 916252391 KIUZFDMYKOOWTE-UHFFFAOYSA-N 446.551 0.286 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 916390477 SMJMJJIOVVZDGA-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 917109347 KHIBEEZGCJMADH-UHFFFAOYSA-N 431.518 0.226 50 20 ICGD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886389 WCEFUDJFRIICEC-ZBUUCQELSA-N 426.539 0.227 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc(C(C)(C)C)nn2)c1 1318585447 HNUZMDOHCVKLKA-UHFFFAOYSA-N 434.522 0.898 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1777854234 KEQWTUPCYMKIRW-SZNDQCEHSA-N 432.525 0.276 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)[C@](C)(Cl)CCl)C4)C3)CC2)CC1 1781234879 RXODUEBZBIOJIV-MOPGFXCFSA-N 447.407 0.833 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1781855350 ZMPGFMYYMLPGDG-DJJJIMSYSA-N 433.933 0.924 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1)NC(=O)NCc1ccccc1 1782909907 BKFRFMXNSBJUJB-NRFANRHFSA-N 447.511 0.665 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950417 WOLZWWBSFFPWAN-SGTLLEGYSA-N 429.304 0.834 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1783964022 HKFWXTGFSDXQPL-MNXVOIDGSA-N 427.299 0.807 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1786223808 IHJZKVYMSOHMDK-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD Cc1nscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979460 LLUCKEYQCWFUMB-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982800 IGQVYLWULLWHMB-YYWHXJBOSA-N 444.337 0.309 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)c1 1787444175 QVNHYVCRSXTEKF-HJPIBITLSA-N 433.889 0.613 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788257140 APOTXDJAAFHAEE-LWWSYDQCSA-N 427.864 0.144 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925100 NMYWQZFVEBMAKD-CXFMUKIQSA-N 439.278 0.272 50 20 ICGD CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791286856 MSDNXCKDKNCQSP-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD O=C(COc1cccnn1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791847441 YGNUWCOZBXXTOG-UHFFFAOYSA-N 446.272 0.983 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1793882682 RTIRSVSLQZONDX-QMHWVQJVSA-N 445.944 0.745 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccnc2ncccc12 1796189439 NTDVBKMFVTVHBE-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD CC(C)c1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)co1 1797749742 MNEQXZMCRCPGCD-FVCICTRLSA-N 442.476 0.314 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(C2CC2)cc1 1799778534 BQESPAKIURCGIE-VTYHHJSWSA-N 434.301 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(O)c1 1801126250 LHXKIOHQVPNRPG-FAQVEIGNSA-N 432.521 0.287 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363292 ZFLLEDWYSCBMCA-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807371773 ZUZGUYOVANLVFR-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807806622 VXBTXXXAUQIORR-KXBFYZLASA-N 428.497 0.201 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978809 SWESAKSTRHVQDH-LJQANCHMSA-N 428.338 0.784 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810179097 UQOQAGRQIRJJLI-OBJOEFQTSA-N 437.802 0.793 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070269 ICBZCCFXOGCKFF-FXAWDEMLSA-N 446.552 0.233 50 20 ICGD O=C(CN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814482287 KGJAHIBCGBPELK-SFHVURJKSA-N 425.298 0.491 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCCC3)sc2C1 1814534937 JUELIYMXZWOBRA-CQSZACIVSA-N 436.582 0.914 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596383 CSTDNPVKBKSWRS-CYBMUJFWSA-N 436.545 0.805 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817107646 SEHQESZVJXIGQH-HTQZYQBOSA-N 427.870 0.824 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccccc2=O)n[nH]1 1817521382 CXRUPSMROPWIRL-MRXNPFEDSA-N 443.508 0.637 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCOC1)CC2 1819800874 BWCQMQPRDKQPBP-RYUDHWBXSA-N 444.517 0.794 50 20 ICGD COc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)cn1 1822412706 FSROMGIXPMCWMF-OAHLLOKOSA-N 444.496 0.887 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830364340 GSFSPFDRPZSWIL-QGZVFWFLSA-N 429.861 0.653 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831074214 YNXRXCKXKOYOAO-UWJYYQICSA-N 429.370 0.940 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831751548 GTWXUHTVCPKVOH-NHYWBVRUSA-N 433.328 0.782 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870012 ZIRJIAZDHFWTKR-QRWLVFNGSA-N 425.913 0.863 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835506781 JDGPJPMGGVSJAF-VGOFRKELSA-N 441.381 0.988 50 20 ICGD O=C(Cc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836158502 MARCLAXUUMYWOA-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD COc1cnc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1836716939 ZAFXEPJPERTWLP-MRXNPFEDSA-N 426.901 0.697 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839712410 WUKCMVZGMLWUNR-KDOFPFPSSA-N 443.342 0.679 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839963028 XTXYMQYNACAIKG-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840036896 RZBVGGMISFGCPW-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188796 CQBPLBFAOMXDOU-QGZVFWFLSA-N 432.260 0.684 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)[C@H](O)C1 1841023906 GBOVCBQSKIYBIP-RRFJBIMHSA-N 445.944 0.407 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011992 RVTVROUTAKOHEJ-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccnc3c1OCO3)C2 1843416509 SFSOPAVSYVCOMT-ZMOGYAJESA-N 438.444 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1846384145 KNOSOZZRYMJHGV-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847559069 JDKCTLOFBXPAMT-OLMNGRFOSA-N 445.944 0.406 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848194556 RPXIUIDBFZSGMC-IRXDYDNUSA-N 447.222 0.838 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 15792628 WGBVBLAGPDVIPV-UHFFFAOYSA-N 442.428 0.810 50 20 ICGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)no1 22841794 XREJWMOSSDCOMK-UHFFFAOYSA-N 434.884 0.654 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 726075777 MXGDMCFQQYKYCO-UHFFFAOYSA-N 444.579 0.967 50 20 ICGD O=C(NCCCNC(=O)c1cccc(Br)c1)NNC(=O)C(=O)NC1CC1 726260342 LRYDLMLMDCFROE-UHFFFAOYSA-N 426.271 0.178 50 20 ICGD CC1CCC(NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)CC1 728293896 NHIQMKRPGOKPMR-UHFFFAOYSA-N 433.528 0.899 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(C(=O)OC)c1C 728856196 JCVRGANBCMCIEC-UHFFFAOYSA-N 427.460 0.577 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 729258366 QPIRANPJMLISFX-UHFFFAOYSA-N 435.444 0.541 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2cccc(NS(C)(=O)=O)c2)n1 730343076 VJQUXCZYZYOMNY-UHFFFAOYSA-N 440.503 0.299 50 20 ICGD CCOCC(=O)NNC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 731760514 NIPHRVOFIPUFDW-UHFFFAOYSA-N 431.287 0.945 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 732084119 MSMAUMKWZGZRKP-GFCCVEGCSA-N 433.446 0.116 50 20 ICGD CC(=O)c1c(C)[nH]c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1C 735116825 HQKGNZFTWBNZOX-UHFFFAOYSA-N 434.522 0.922 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 744524131 AZIAZIAKGSJGEV-UHFFFAOYSA-N 442.384 0.633 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3F)cnc21 747618776 VAQKTCIDJNQDEZ-UHFFFAOYSA-N 427.801 0.450 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 748463055 YAZUBVPESPTDMW-UHFFFAOYSA-N 425.511 0.216 50 20 ICGD O=C(COC(=O)CN1C(=O)CCOc2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 749674718 QYONTALZGNKJIU-UHFFFAOYSA-N 442.384 0.715 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 751563271 ZHPZKIBGYBXAJW-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD CCCn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 756781728 JPFJUWLRWSQJLM-UHFFFAOYSA-N 436.494 0.781 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(F)ccc1Br 758215865 QCEUTWRLSVQWMN-UHFFFAOYSA-N 426.264 0.305 50 20 ICGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 762377307 KQYDOETXLLIIQU-HNNXBMFYSA-N 439.538 0.672 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763577002 FUYVNPVUPQBOEK-QGZVFWFLSA-N 447.469 0.200 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763809684 ZCFWGBZHTDJMSY-UHFFFAOYSA-N 426.385 0.275 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 764002683 QDJDYRVGCRHBBJ-SECBINFHSA-N 437.396 0.625 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 764232752 GDMBIWHWAOTBNZ-UHFFFAOYSA-N 449.464 0.089 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc(C)nc3O)n[nH]2)cc1OC 764379105 QPXMTMXULJCEJC-UHFFFAOYSA-N 440.416 0.903 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 764398897 IJMQHKLDHHUOJF-XHSDSOJGSA-N 448.520 0.942 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1C 765119322 OJASWYRYUGMNBO-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731821 CCOVWZDKMMUEGC-PGMHBOJBSA-N 449.511 0.769 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 765752287 QITAPATXOYMZBW-OAHLLOKOSA-N 428.942 0.040 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(C)CC1 766664786 UBRRSDXGEXCWRV-QGZVFWFLSA-N 436.988 0.241 50 20 ICGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1ccccc1Cl 766866327 NTXWVKWRYIKYKF-UHFFFAOYSA-N 428.942 0.296 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1COc3ccccc3O1)NC(=O)CC2 768233344 NKIFSNQXQYKOMP-QGZVFWFLSA-N 440.412 0.506 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 768637063 BQSPRKSQIWINAI-UHFFFAOYSA-N 447.473 0.110 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 768637364 GBNPJEKSUTZGPU-LBPRGKRZSA-N 431.474 0.880 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1C 770118535 WQIIZMKCRGJOAC-AWEZNQCLSA-N 433.552 0.887 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNc3ncncc3Cl)cn2)CC1 782040136 DNLUZESGUCNRHZ-UHFFFAOYSA-N 426.890 0.755 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cn(Cc3noc(C)n3)nn2)cc1Br 783424466 WZXSZHDWXAFYHQ-UHFFFAOYSA-N 436.226 0.864 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427115 PWRIHRNZXAGHET-HNNXBMFYSA-N 437.396 0.629 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 790325309 LNOZAMZYDUSLGP-GUYCJALGSA-N 449.485 0.685 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 790956383 GXFHMBMTEWCDHO-LRDDRELGSA-N 429.433 0.240 50 20 ICGD COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)C2)c1 792018336 VTYAENCUUKIBQN-GOSISDBHSA-N 446.485 0.900 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2COCCN2C2CCCC2)ccc1Cl 792811013 UMRRGAJMFKZVGB-AWEZNQCLSA-N 430.914 0.392 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 796125956 LRDOGSJIYYNUNK-CYBMUJFWSA-N 446.957 0.713 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Br 797429952 HNVBALDNSUVJRU-LURJTMIESA-N 434.721 0.350 50 20 ICGD Cc1ccc(OCc2ccccc2)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 799834375 CJGMMZJOXYUDPG-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 805835819 UEASDNBVVUKSEY-AWEZNQCLSA-N 436.494 0.336 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)C1 808264744 MSWBWPGMRGBBTE-QGZVFWFLSA-N 432.525 0.992 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 813033314 NFJBINLANGKMSM-UHFFFAOYSA-N 445.501 0.647 50 20 ICGD Cn1cc(-n2cc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2=O)cn1 816509787 CGDBYVHZUTVQDF-AWEZNQCLSA-N 444.492 0.979 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817053881 KCKXCPQBJSQBQA-MRXNPFEDSA-N 436.538 0.877 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1NS(C)(=O)=O 883990575 QVFWLVFSAOUMFR-UHFFFAOYSA-N 439.519 0.734 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1csc(N2CCOCC2)n1 912852225 TWJZITDMUIWRJX-UHFFFAOYSA-N 440.485 0.660 50 20 ICGD C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 913438205 WYIBPZYZFBIZJZ-UHFFFAOYSA-N 444.535 0.020 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)NNC(=O)c1ccccc1 918740324 NHNQYQIBGSJHRE-UHFFFAOYSA-N 442.501 0.330 50 20 ICGD O=C(COC(=O)Cn1cc(Br)cn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919477731 APBICOIQWVSDQV-UHFFFAOYSA-N 426.183 0.558 50 20 ICGD N#CCc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 1319197224 UFEUVCGFFBVQKO-UHFFFAOYSA-N 441.513 0.520 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3Cl)CCO2)C1 1779032333 NGKOQSLTKMSBFQ-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1783870993 LAZQFELOGJUCIU-SGMDADPQSA-N 449.935 0.943 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785781140 WCVGWGRNJHJKOL-HVEJOWRVSA-N 427.465 0.137 50 20 ICGD COc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980962 HEGLDRSJPLFYLX-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(F)(F)F 1786985178 OZDUOYIZIOWEHS-BPUTZDHNSA-N 426.200 0.078 50 20 ICGD O=C(Cn1ccccc1=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140629 CQGXQRLFJAWYGY-UHFFFAOYSA-N 445.284 0.976 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(F)c1F 1789636750 HCGXQWFRVUMRRV-FNHZYXHNSA-N 444.243 0.552 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791054335 BEMCFFWTMHKQLE-NAKRPEOUSA-N 432.344 0.957 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1792868212 UGXMRLLJHBIGQO-CUSZFKRNSA-N 445.402 0.245 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792980431 OPCUIBXNFRVZEY-DACLVMHWSA-N 433.896 0.379 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)nc1F 1794245588 LJGBKMHBXBTJAD-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1796187928 MGRWRNDXXJAVKM-RDGPPVDQSA-N 429.326 0.169 50 20 ICGD CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1Cl 1796188246 GIAXKMXUEQWJMD-MUJYYYPQSA-N 444.728 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)c[nH]1 1796548283 BLDPDCPIARJCET-DPIQGUFMSA-N 445.442 0.610 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1oncc1C 1798398963 MKBJXGIIAMXQFX-QQGSHNGGSA-N 428.449 0.320 50 20 ICGD C[C@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(F)(F)F 1798439598 MKJPSVKWIMBRKO-UCSBCBTLSA-N 429.399 0.250 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1 1798440070 ZAGQSRFYSTWNOJ-BTTYYORXSA-N 439.476 0.439 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1800177367 BQJHSUVTAAVGHT-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204194 WJKUZRYDROCTNX-OVZMXSCWSA-N 443.298 0.182 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801001795 KQSDBXCEMDZTDO-LTSKOESKSA-N 435.315 0.223 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@@H](O)c3ccco3)C2)CC1 1804886515 JBPKYMJOUNGUSN-IBGZPJMESA-N 426.278 0.538 50 20 ICGD CCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806030846 QIDRVYFUEZXKGQ-UWJYYQICSA-N 448.288 0.945 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361148 VWDFKEGOGNEGMJ-YZGWKJHDSA-N 439.321 0.488 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1807364863 UGIYPSKCRPWTGN-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)COC1 1810295832 YCXQXHYAQMQUIG-YJBOKZPZSA-N 438.488 0.436 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)cn1 1810297381 BTUHFNALHNQHGD-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)no1 1810372393 FWXDXNGITFHUQL-QILLFSRXSA-N 449.895 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@H]1c1cccnc1 1813068581 OFWDOWLRMOGUAH-KNKQGSTJSA-N 444.580 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1 1813069269 WNOFKSCTQCAIJN-DQLDELGASA-N 443.504 0.787 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822183701 GVPZHRRSTFSHJV-MWLCHTKSSA-N 441.286 0.737 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181845 OSTUOHSANPCPJM-GJZGRUSLSA-N 436.900 0.251 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972478 NXTOZRRRDFFMIB-HUUCEWRRSA-N 428.917 0.412 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826008803 HQCZMOPDVWQNGL-ZJUUUORDSA-N 426.882 0.234 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C(F)F)n1 1830727937 KWXSASCAQRMUMM-YVEFUNNKSA-N 436.843 0.027 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833240475 WWKHPFJPCPMZBG-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD CN(C)c1cncc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1 1833308140 KBPUNWLUZXAHLV-IBGZPJMESA-N 437.972 0.933 50 20 ICGD CC(C)n1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n1 1833310276 FZJAUJCQNFXLDL-INIZCTEOSA-N 426.949 0.644 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312329 QFEZWJJOSZPTFC-BBRMVZONSA-N 433.933 0.719 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n[nH]1 1833824327 JNEMVBAFXGODAM-IBGZPJMESA-N 438.557 0.534 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835370392 WMFDUNOFRNXHHF-NQIIRXRSSA-N 440.924 0.913 50 20 ICGD C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738094 CXLSKMRPJHGKLR-UHFFFAOYSA-N 440.548 0.674 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835808509 YYVQIIVWLHNNJJ-YVEFUNNKSA-N 432.930 0.358 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1835836307 XQGJBOZOXADJAT-UHFFFAOYSA-N 435.601 0.807 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836690448 BKQXQODGHFJSKL-HXUWFJFHSA-N 446.353 0.386 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530577 NZUUFWSDOFYXKQ-ALSKXNSISA-N 447.916 0.226 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c1F 1837712486 UWHLQEGYXDSZGR-IBGZPJMESA-N 442.564 0.789 50 20 ICGD O=C(c1cc(=O)nc2sccn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838415701 SFUIYMFMVWVGLP-CXAGYDPISA-N 444.872 0.360 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839151197 KOLIYGNEBBMQFK-QZTJIDSGSA-N 433.288 0.946 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839449172 WWJVHAYDGTYJQX-XIKOKIGWSA-N 443.294 0.951 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1840154932 KTAJHOQPWQWMHK-BUXKBTBVSA-N 448.850 0.994 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840154945 LGNPYFSDMWWLBX-KUHUBIRLSA-N 430.860 0.855 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185354 LYRASONLFNDPEH-QFIPXVFZSA-N 438.569 0.808 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccc1 1840186691 CULZDPWWOBAUMX-JPYJTQIMSA-N 446.548 0.620 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188746 ZXSJCDPZWOLZCY-QGZVFWFLSA-N 431.276 0.280 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cncn1 1840418899 NMOLDLOVYLQLEO-QAPCUYQASA-N 425.562 0.147 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840493015 PFTAHKRJYXCQBL-SIXWZSSISA-N 428.917 0.463 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@H]1O 1847598566 IMZPRFOGKUCSMZ-BVOGOJNSSA-N 449.511 0.797 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@@H](NC(N)=O)c1cccs1 10291979 PAANHHZWDHHEMQ-LLVKDONJSA-N 438.535 0.910 50 20 ICGD COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1S(=O)(=O)N(C)C 15889640 CQVKDKXSMKJMAR-UHFFFAOYSA-N 425.438 0.925 50 20 ICGD CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 725740363 DSCJYHNWWFZOPD-UHFFFAOYSA-N 447.492 0.684 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 728078609 MHQWOWUXDGAMDI-UHFFFAOYSA-N 430.446 0.909 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)COc2ccccc2C#N)cc1 730066852 QSLUTKXZLVKORG-UHFFFAOYSA-N 432.458 0.750 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1cccc(OC(F)F)c1 730580737 BMMNKOYQQMORHL-UHFFFAOYSA-N 438.478 0.611 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1 733908581 OQKVHVNQJJMBCG-MRXNPFEDSA-N 438.550 0.733 50 20 ICGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 736709172 USKCMSWLIMLGID-UHFFFAOYSA-N 431.338 0.507 50 20 ICGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)COCc3ccccc3)cc2)NC(=O)NC1=O 739009321 NBVOUSYQEADBJW-NRFANRHFSA-N 425.445 0.788 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c1C 744457097 NJWUGQMEWIRCNZ-LICLKQGHSA-N 435.506 0.914 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 744736014 MPGFYTISURBYBF-KRWDZBQOSA-N 427.461 0.790 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 745862515 LJEKBZVNZHCYNH-HNNXBMFYSA-N 439.586 0.197 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)c1ccc[nH]1 747663585 MVZYZNMCYHHNEJ-QGZVFWFLSA-N 436.490 0.940 50 20 ICGD COC(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccn1 748623895 RAXMAJHPSZCBRG-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD O=C(CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)NNC(=O)c1cccs1 749451158 UNLDJWKPSZMNGA-ZDUSSCGKSA-N 428.470 0.506 50 20 ICGD COCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 755390666 AVWBSRVDNXGPML-UHFFFAOYSA-N 441.510 0.107 50 20 ICGD O=C(NNC(=O)N1CCN(c2ncc(F)cn2)CC1)C1CCN(c2ncccn2)CC1 759252992 FQAWVKZMFVWPLK-UHFFFAOYSA-N 429.460 0.185 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1 760279596 OEMCFEWIHAHDJT-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572993 PGKIPVCNTHQGPA-KRWDZBQOSA-N 449.423 0.577 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1 763998475 KHDPSIVZJUFTEU-UHFFFAOYSA-N 435.506 0.845 50 20 ICGD COC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 765735356 KRFNSJQJEGZSCG-UHFFFAOYSA-N 425.445 0.087 50 20 ICGD O=C(Cc1csc2nccn12)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766647318 FSWGNNCDVZQAMZ-UHFFFAOYSA-N 426.502 0.544 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 767354359 OPRCZNIWSFBTSB-UHFFFAOYSA-N 438.484 0.996 50 20 ICGD CSC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 770988824 BGZSUFJMKTUBPI-JFGNBEQYSA-N 433.494 0.419 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 771940006 MRVXTCBNHTXNQD-VIFPVBQESA-N 425.385 0.473 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772164942 LJVSPNWDKYGFCW-HNNXBMFYSA-N 436.509 0.729 50 20 ICGD Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nc1Br 775071191 YYPRUEITIGPVIG-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 775337488 HVEBSAIAJFJQES-ZDUSSCGKSA-N 449.489 0.957 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)nc1C 778430706 YVMLMQDWEUFQSL-UHFFFAOYSA-N 437.478 0.643 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(F)c1 782883943 CPUBQMIXXKDMIR-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD CN1CCC(N(C)c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 783427592 PAULVDNBRUIDBX-HXUWFJFHSA-N 437.566 0.354 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 787548887 IAXSTNYOVFCJDF-HNNXBMFYSA-N 434.493 0.759 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)cc1 794709632 CNEKLAJIONORMO-FQEVSTJZSA-N 432.502 0.787 50 20 ICGD Cc1cc2c(cc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)OCO2 794865696 ITZBAKWLJJGCQA-UHFFFAOYSA-N 447.878 0.648 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)CC1 795110929 XBRZTRBCNJLPRK-SXGIVHELSA-N 443.573 0.855 50 20 ICGD Cc1oc(C#N)cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 797800226 UOKAZITUCHJNLO-UHFFFAOYSA-N 446.485 0.874 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1 799259406 VVUDESMITHPMHJ-SFHVURJKSA-N 435.440 0.876 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)n1 806975125 ONLRWFHTJUTIDH-UHFFFAOYSA-N 431.428 0.345 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 815691038 CZWBFBWDMUYRLM-GJZGRUSLSA-N 442.476 0.575 50 20 ICGD O=C(NN=Cc1c[nH]nc1-c1cccnc1)C(=O)NN=Cc1c[nH]nc1-c1cccnc1 839383975 RKMYHFPXKRROHD-UHFFFAOYSA-N 428.416 0.857 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 913156776 STYXKYPLUGRATM-GXFFZTMASA-N 434.312 0.788 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1C 920274137 LNUYBRQCJBMINI-GFCCVEGCSA-N 428.449 0.527 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CC(=O)N(c2ccccc2)C1 921077569 QFPWZQUAUFOTBP-ZDUSSCGKSA-N 430.490 0.729 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777973223 DQEKRCUKZDGLSQ-QVQKURAXSA-N 442.520 0.162 50 20 ICGD O=C(c1cnn2ccncc12)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777988305 KATLZXRJLNLMEM-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780014150 JNOAAQVCNSSADB-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780235691 DOTONSYJEJMTAT-ACJLOTCBSA-N 441.824 0.367 50 20 ICGD CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780802148 PDXDCIRZMANZRL-ZWDAVXSWSA-N 445.325 0.295 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780936872 ZSLAVRPHFWLCRC-CXAGYDPISA-N 430.889 0.256 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782098593 KWMCDNJZZJBBBD-MAUKXSAKSA-N 427.841 0.652 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn(C)nc1OC)C2 1782170906 FNBLMAHVDWQUDB-SPYBWZPUSA-N 428.917 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236476 KXAOGBNPTWLSIV-XHBSWPGZSA-N 443.850 0.433 50 20 ICGD O=C(CC[C@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782769498 CCQOQVRXCMJXIJ-XTQVGHSUSA-N 444.337 0.311 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783808244 UIBBEYTYVPTKRI-HFMPRLQTSA-N 434.301 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccccc3N)CCO2)C1 1783934044 UVKFTXDNADNLSM-GLJAUCNMSA-N 429.521 0.485 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C(F)F)n1 1783934505 BYQMBCNZCCBINC-LJQANCHMSA-N 442.467 0.403 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1783969245 JWAVMRWBOJGPHW-MNXVOIDGSA-N 429.315 0.750 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21)[C@@H](O)CCl 1784093449 ZGIQODGFRVBAFX-XKNYDFJKSA-N 425.795 0.017 50 20 ICGD C/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726638 HUGGGIIPLURVJF-AMSJRMJBSA-N 443.548 0.888 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]3C2)CC1 1789866893 ZJPACWAPVVIJNZ-BOSXTWCSSA-N 449.423 0.840 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789868003 OQVZTWKWDXYHIL-QCQGSNGOSA-N 429.366 0.637 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1790574715 LSYQEXCVXPEDHJ-FQUUOJAGSA-N 449.415 0.624 50 20 ICGD C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(F)(F)F 1790881732 NZGLLIQEOWHSCZ-BPUTZDHNSA-N 426.200 0.078 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287458 ODINRLCRNOEENP-KEKQHROYSA-N 435.315 0.365 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791293354 YEAKSVYFRXIGDZ-XSLAGTTESA-N 434.541 0.105 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3CCOCC3)CCC2)cc1 1791599231 FBIHJIBLJZPMKJ-UHFFFAOYSA-N 431.537 0.826 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586075 JMKZGVXDPUWYTL-NPJQDHAYSA-N 446.976 0.836 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cscn1 1795800322 UGDVSGRHBKYRBG-GBQKICQVSA-N 444.517 0.409 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn1 1796189944 NNESCDSORLDINT-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CC(c2ccccc2)=NN1 1796192982 GJQAZRKZVUCBGA-XAPVIXHLSA-N 446.316 0.384 50 20 ICGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797749582 FYMAZYBHHBEFOM-IVWMJMPLSA-N 442.476 0.314 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2)[C@H](F)Br 1799347773 SCVHUNULIHQWJM-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD Cc1cccc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)n[nH]c12 1801012610 CBLRVLVLRKNSNS-YVWYUNDQSA-N 442.520 0.448 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802256913 ZTKGYSHATRFDEY-LWASTNQWSA-N 442.321 0.598 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1813096994 PLKVFFFEWUAKMV-SCRDCRAPSA-N 436.818 0.366 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1)CC2)c1ccc(B(O)O)cc1 1815347832 SANZJPNKWSCMIO-UKRRQHHQSA-N 431.348 0.944 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1818107274 IIXONLLPLUUSOP-ZIAGYGMSSA-N 447.945 0.427 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1CCN(C)CC1)CC2 1825998382 GEFWEJIZGMGHRF-ZIAGYGMSSA-N 444.001 0.946 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054934 NDVLTYWLUNNUQV-PMACEKPBSA-N 448.394 0.714 50 20 ICGD C[C@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924683 XRVDACOYTDVPQU-KSSFIOAISA-N 430.509 0.053 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829544899 CRJORCJJICHULK-UZLBHIALSA-N 441.912 0.804 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1832008480 PTJJTMKCAJVFOX-DEXNDLTESA-N 434.892 0.957 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833063227 ZOVKOOZLEHGVOZ-SFHVURJKSA-N 447.045 0.861 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n(C)n1 1833448238 YXRREKWJQZZRFR-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1833826562 OWLZIHSUUJDLSY-APPDUMDISA-N 443.298 0.466 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836051802 HXDSWKNYGSLGJU-FQEVSTJZSA-N 436.585 0.717 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836889735 PBRZLYVKGYDBMA-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnccn3)CC2)CC1 1837412949 XIHMPYLQOFGOLU-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200499 LYWCZWGLKWNKBL-IOASZLSFSA-N 448.293 0.061 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839201521 ZXCCCVFTLONICH-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202624 LPLDMDPCCPRTDY-YOEHRIQHSA-N 445.289 0.590 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839499823 ZUMAVQZFUNRMHM-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839967240 GOXBOJKWIGUKHT-RDTXWAMCSA-N 433.343 0.921 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)nn1C 1840154030 IOYWNBXGDHDACF-DNVCBOLYSA-N 428.917 0.306 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1840528991 CCQOYYWPXLXWJR-PMAPCBKXSA-N 444.337 0.263 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843100986 AYKAHQQNAPEIMQ-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3ncncc3c2)C1 1844090705 BTHYPCBTYQCOAF-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 15877183 GGAVFDYNHSMYDO-UHFFFAOYSA-N 433.486 0.856 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 24582445 WLUODMMPVPXTQM-UHFFFAOYSA-N 448.501 0.202 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 108121266 DLFVDXDKDVKSGU-MRXNPFEDSA-N 449.533 0.772 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)ccc1OCCC(C)C 108922509 RXTJAAPHVIQKNQ-UHFFFAOYSA-N 432.481 0.875 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)=NN1c1ccccc1 110888343 PADCPLOCXFNLKG-GOSISDBHSA-N 442.501 0.691 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)COC3)c1 727720677 UWXQEXCJJCKXKU-UHFFFAOYSA-N 425.488 0.590 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc2c1=O 731453924 UUNPBVBRZUFEAN-UHFFFAOYSA-N 434.372 0.497 50 20 ICGD O=C(NCCOC[C@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731763662 YBWDDDWWSLKJNO-HNNXBMFYSA-N 440.522 0.468 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936215 FWDMRFUVXBSMCH-MRXNPFEDSA-N 433.446 0.533 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)cc1Br 735028106 MYLUOLFSGCNELO-SNVBAGLBSA-N 440.341 0.746 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCOc2cccnc2)CC1 743420007 SFWWYEPOIRNPRN-UHFFFAOYSA-N 434.522 0.715 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 743805269 REWZBIIAKZLMGS-UHFFFAOYSA-N 446.894 0.857 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619816 ZRNRFZMSSBCCFV-UHFFFAOYSA-N 426.520 0.773 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 746819306 QCVVTHHWMNPZFN-LLVKDONJSA-N 445.544 0.991 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 747174517 TVMPECGZAQWVFV-UHFFFAOYSA-N 430.490 0.760 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 748547780 YPCHVOMKAQGVJE-ZDUSSCGKSA-N 434.474 0.504 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc(OC)c1OC 751266499 FURPUYDCDVKLLH-UHFFFAOYSA-N 435.462 0.926 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccc(Br)cc2)cn1)N[C@H]1CCS(=O)(=O)C1 755644718 IMVOYXIHIJBZEF-NSHDSACASA-N 442.295 0.766 50 20 ICGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 756827147 PJMPLCJTIJGRIC-UHFFFAOYSA-N 440.508 0.706 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(N)=O)nn3)cc2)C1 757392541 PSJHDSSHVZGBHJ-BETUJISGSA-N 432.506 0.999 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757711854 UYCLIKQZMYYFTL-NEPJUHHUSA-N 432.524 0.351 50 20 ICGD COCCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 757822792 NGSBUFMDLPDUMA-GFCCVEGCSA-N 433.508 0.084 50 20 ICGD CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758839604 OYAPGINCMSBFPX-UHFFFAOYSA-N 444.492 0.694 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CCc2c[nH]nc2C1 758905924 NGLFSPHOQYIOQC-HNNXBMFYSA-N 432.506 0.696 50 20 ICGD CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 761196906 OCQUEDXWNAJAGG-UHFFFAOYSA-N 446.529 0.789 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1Cl 763569674 AQVREAGJIHGTOY-MRXNPFEDSA-N 446.847 0.968 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1 763623830 NZUJUDIABPIGAV-UHFFFAOYSA-N 434.474 0.840 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 763871206 FIRWKKNKJBDKHZ-CQSZACIVSA-N 445.451 0.919 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763871464 GXRPYNAHBOMPEJ-GFCCVEGCSA-N 432.408 0.504 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 763949743 GTPJNOOYLSEHMR-UHFFFAOYSA-N 439.472 0.665 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 763998130 LURVSJZJIUSSTL-CQSZACIVSA-N 449.460 0.925 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccoc2)cc1 764164521 RSNUBBUUQBUYND-PXLXIMEGSA-N 433.446 0.492 50 20 ICGD Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229914 DWOFGSLRWCGBEC-LLVKDONJSA-N 441.510 0.003 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1(O)CCSCC1 765176965 QJWYDJLXOIDGBB-UHFFFAOYSA-N 426.970 0.863 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n[nH]2)cc1 765572428 ZCWVFLKHNFVOFW-UHFFFAOYSA-N 447.455 0.660 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)N1C(=O)CCC1=O 766659925 JPVZIWUSDPZWNZ-AWEZNQCLSA-N 435.912 0.143 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 767629106 HTLUVNCBBYDYLH-ZDUSSCGKSA-N 430.442 0.229 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1ncccn1 768234306 SCCCRJABENWSJB-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771607997 RNHLNUFALSPSEF-UHFFFAOYSA-N 449.880 0.156 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1cnn(-c2ccccc2)c1 773020361 BUDNJHBJQDODGD-UHFFFAOYSA-N 429.462 0.190 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 778438310 TZGNAGGWTZKERM-UHFFFAOYSA-N 449.508 0.613 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NN=c1cc[nH]cc1 780759179 ANYOJKJDLYIBEB-RKCSUWQLSA-N 438.531 0.340 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(F)cn1 783701486 JNZNVCCNCOCGLD-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD CN(NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704132 JVRRBCPVEDMSPA-UHFFFAOYSA-N 431.471 0.176 50 20 ICGD CCCCN1CCc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc21 784004152 JDVPZPSLIUPGHB-UHFFFAOYSA-N 427.461 0.958 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H]1CCS(=O)(=O)C1 792853991 ICYAFWJUJUZSPW-ZDUSSCGKSA-N 431.536 0.283 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 796552610 UVKUCPVTRPSRGU-ROUUACIJSA-N 429.477 0.689 50 20 ICGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 800334138 GGZPLFJBSWLGBM-QGZVFWFLSA-N 438.960 0.688 50 20 ICGD Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 802566529 UGHQXVHOZCAMCP-ZDUSSCGKSA-N 434.449 0.717 50 20 ICGD CN(C[C@@H]1CCCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)C1)S(C)(=O)=O 804869501 SFFNTBSAVLPXFL-JTQLQIEISA-N 436.332 0.735 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 807372124 YWRCRMGIDXOVLB-AWEZNQCLSA-N 445.542 0.364 50 20 ICGD CCCN1CCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807548264 SGTJYIMXSUAPDQ-INIZCTEOSA-N 439.586 0.518 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nc(N2CCCC2)n1 813860070 DNQGSTYUVZKWIE-UHFFFAOYSA-N 432.506 0.933 50 20 ICGD CCN1CCN(CCCCNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 916503664 FAZQMKPBIWWYQZ-UHFFFAOYSA-N 441.602 0.812 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN4CCCC[C@@H]34)nc2)CC1 916639719 XPAFZEDELSDIOL-SJORKVTESA-N 437.570 0.271 50 20 ICGD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 917176520 ZOOJSGVESZCGDB-GFCCVEGCSA-N 435.462 0.696 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2ccc(=O)c3ccccc32)ccc1Cl 921302087 MRDIGQPVFIZMKG-UHFFFAOYSA-N 434.861 0.764 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)c1ccc2ccccc2n1 1317928003 HEKTYXROQPRQBM-UHFFFAOYSA-N 441.473 0.817 50 20 ICGD O=C(NNC(=O)c1cnc2ncc(Br)cc2c1)N[C@@H]1CCS(=O)(=O)C1 1320803157 CHLKCDPGOKMNNP-LLVKDONJSA-N 428.268 0.523 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779280844 HRDBZKALMNUSCZ-HWWQOWPSSA-N 444.834 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779356075 VTYJDHSCPXHBJR-SFHVURJKSA-N 445.442 0.850 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331263 HHOJIDANUKEBJR-CZUORRHYSA-N 431.262 0.800 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782653709 XVFXYGZDHCFBNN-UZUQRXQVSA-N 437.305 0.084 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1783884042 ZLHKSJFFCLHHDQ-UGSOOPFHSA-N 425.848 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(cnn3C)c1)CCO2 1783934709 KOJWXZMGGLGEHB-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1783974859 VZBCOVCRIAICOB-NDKCEZKHSA-N 429.319 0.245 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784094786 ROIADMPGEQNLPK-FQMQPWHVSA-N 430.929 0.545 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784975250 UFYWABNJHFHCBP-OSFYFWSMSA-N 443.342 0.605 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21)[C@H](F)Br 1789925649 SUZGRWGAGSGYTM-KBIXCLLPSA-N 448.211 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 1792812469 QYFRAJSHPTWAAC-UVNIEQTBSA-N 446.523 0.892 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CC1 1792849408 RHBYTSZRJKGKJH-ISAPEBSYSA-N 427.505 0.756 50 20 ICGD Cc1cc(Br)cnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794962512 JBBZGTUARNNZIC-NDPMZMCLSA-N 446.729 0.955 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)CC1)NC(=O)NCc1ccccc1 1795013946 RSNDFHMRGYROIY-OPVJXMOQSA-N 443.548 0.722 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1C 1795741077 YUTDWNUIZSXEAR-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)ccc1F 1796191650 KVKIUTQVAILGIJ-ACDBMABISA-N 435.264 0.872 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)n[nH]c1C)C2 1796441692 QVYWGUOHCJTFSK-OBAMXFLESA-N 441.492 0.364 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)no1 1797829939 UXPNEFUCVPEXRD-MCYUEQNJSA-N 443.298 0.086 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1cccs1 1799344258 FMFRRVJDQNSDML-DJBIQUGXSA-N 448.314 0.758 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnn2c1OCCC2 1799935861 FRRQNFZJCDHBAJ-LFSVMHDDSA-N 431.262 0.559 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800163556 MZGUWTMIKQYKRP-COWZWYNKSA-N 444.305 0.786 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800297865 LOUJFQLOPJTNJB-QSMSVPEVSA-N 439.915 0.746 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCN2C)[C@H]1c1cccnc1 1803941782 MGRLZNBGIUYOQN-BBTUJRGHSA-N 430.553 0.555 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360654 UAWYPDJHROHPER-BSIFCXSSSA-N 435.289 0.119 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1813072786 FKCPIJBCTRUTPE-VQIMIIECSA-N 445.520 0.414 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814474994 HFMBXNPCDWGXBG-SJLPKXTDSA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)no1)CC2)c1ccc(B(O)O)cc1 1815344408 XZZKXGIESRWKEE-LLVKDONJSA-N 428.235 0.056 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(O)c1)CC2)c1cccc(B(O)O)c1 1815361360 AJZSJLDJVJUOES-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](Cl)COC)[nH]n1 1819243611 HSLBXLAYXHSNGJ-IFUGULHKSA-N 431.877 0.720 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822185202 YURNRAVAQWPBCT-JFGNBEQYSA-N 429.319 0.778 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc[nH]2)CC1 1825132800 LIYJLJLJLYTWNW-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)C(=O)O 1828078466 YYUDUSPURYZEGH-KJJQSCHISA-N 429.263 0.080 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831184835 GWORDOPDJWPSJT-HNAYVOBHSA-N 429.590 0.209 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313557 KBFNQJZKGMSQGR-ROUUACIJSA-N 430.977 0.463 50 20 ICGD CCCNC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833425157 WJDVGAGCCMBCDB-KRWDZBQOSA-N 430.977 0.464 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833450766 XAVQTCMXWLIRPI-IUODEOHRSA-N 440.969 0.420 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833635232 MEVZLEXVXGJOME-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833652456 NVYUODUXHLOTBR-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1833824465 PAALNFVCPGYGRY-XJKSGUPXSA-N 447.261 0.373 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)o1 1833903470 ZYVMVLBFZCZIAA-IBGZPJMESA-N 440.573 0.662 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834424390 YKARUPMXTSPNSE-CYBMUJFWSA-N 431.375 0.868 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818777 DZUZRWXKDCHTTA-QAPCUYQASA-N 432.359 0.712 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835628441 RFOOISPOFKMHMB-ABAIWWIYSA-N 435.250 0.326 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836395009 NVMGFUFZAKBXCL-HNNXBMFYSA-N 427.933 0.127 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnco3)CC2)CC1 1836978183 MENYIWWBGRDOBS-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837020751 YBPRWCFCTJCINX-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1838266386 SVUJXBRPZPQSHD-GASCZTMLSA-N 445.520 0.068 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1838595174 KGJJEWQTCGEERQ-HNAYVOBHSA-N 442.299 0.881 50 20 ICGD O=C(c1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197545 AQAIQBKQHBCRPP-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840152018 UNWSSXCCAUWSNT-YVEFUNNKSA-N 432.930 0.358 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182578 NYDXSHGDNLISFQ-DNVCBOLYSA-N 432.949 0.223 50 20 ICGD Cn1ncnc1C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1842340971 IGYXYUCDIBRSEX-LBPRGKRZSA-N 426.905 0.764 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1844693303 PZYNMDSRNIQQTG-ZDUSSCGKSA-N 430.417 0.473 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cn2cnc3ccccc32)C1 1846288845 ZILFEOBUDDZRGA-UHFFFAOYSA-N 433.472 0.552 50 20 ICGD O=C(Cn1ccc2c(F)cccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847534413 UMIBICIWDNBXBR-SFTDATJTSA-N 435.264 0.976 50 20 ICGD Cc1nnc(NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[nH]c1=O 11548460 APWJOFKWMRTILG-UHFFFAOYSA-N 436.372 0.184 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 11580330 SPNNMWQEPMXBOA-GOSISDBHSA-N 437.408 0.644 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 26737384 FVUJYVXBNMTKLC-UHFFFAOYSA-N 442.384 0.816 50 20 ICGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 726278122 UNZZXZQDQACIOD-OAHLLOKOSA-N 436.469 0.247 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCNC(=O)C2)cc1 726777687 DPVOXJVGSRUWNK-LFIBNONCSA-N 436.472 0.690 50 20 ICGD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728341480 ZBFIIWRFYSAWGX-WMLDXEAASA-N 447.488 0.944 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1C 732473872 DAVQHNCQZBAPHZ-KRWDZBQOSA-N 442.538 0.501 50 20 ICGD O=C(NNC(=O)c1cccc2ccccc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 741576920 UFMMHGQVPRFRKH-AWEZNQCLSA-N 428.470 0.766 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 743529054 NWKZNOUTXBZIJF-KBPBESRZSA-N 427.527 0.925 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)C(=O)NC(C)C 744446496 AULKXTYHPDDBSZ-ZDUSSCGKSA-N 425.467 0.118 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2ccncc2)c1 747515883 VQMMCLSMBGKRQN-UHFFFAOYSA-N 447.517 0.232 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1 753948580 OGJXIMGGIGELEK-LSDHHAIUSA-N 428.511 0.140 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755602030 KZIYYVARYPKLBK-LLVKDONJSA-N 427.483 0.164 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 755960206 GSAALICTIJXFDT-LBPRGKRZSA-N 449.555 0.114 50 20 ICGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 756905435 XFGRCHDOXKPSMM-FUHWJXTLSA-N 439.534 0.745 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535486 OWPQBUICOICVFG-UHFFFAOYSA-N 448.339 0.594 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760451323 UHZOXWUTYMWHCL-LBPRGKRZSA-N 439.494 0.287 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)n[nH]1 763151769 FRDCUPWJVRXLJL-QGZVFWFLSA-N 435.506 0.906 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cc(-c2cccs2)[nH]n1 763158367 OJXHFOXMEHEKEU-INIZCTEOSA-N 446.533 0.613 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)c1C 763981132 FQGHHAYJYWXURE-UHFFFAOYSA-N 443.485 0.842 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2C1 764003017 WSRHWOFCYFLNLO-HIFRSBDPSA-N 436.534 0.567 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1OCC(=O)NC1CC1 764036163 YMILNRLLCBQEOH-UHFFFAOYSA-N 446.485 0.743 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764197548 DJSKLWGYTTXFLY-UHFFFAOYSA-N 426.495 0.230 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2scnc2C)c1 764247002 SZTLXJUUZPCSQJ-UHFFFAOYSA-N 439.519 0.930 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cccc4ncccc34)cc2)CCN1 764260317 RDXDNCLLRDXTBQ-UHFFFAOYSA-N 432.440 0.571 50 20 ICGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cc2N1 764382400 JHKJHSMYOJOGEJ-UHFFFAOYSA-N 426.414 0.869 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 764421551 MFZLZKOONUVEJX-UHFFFAOYSA-N 445.907 0.740 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 764519680 WCEHGAYDHGCNFE-UHFFFAOYSA-N 426.974 0.041 50 20 ICGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766164426 OHSBCZHQANUUNS-OAHLLOKOSA-N 442.969 0.430 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(Br)ccc1O)S(=O)(=O)C1CCOCC1 768159709 QKVJLQXLQVDBTC-SECBINFHSA-N 435.296 0.898 50 20 ICGD COc1ccc(-c2ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s2)cc1OC 769928728 VRKORRSAEGYFEA-VIFPVBQESA-N 428.492 0.526 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1 770240311 OONUQENUTDZUEA-CYBMUJFWSA-N 436.650 0.945 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)nc21 770973601 FKCHZYJPGFZQTH-LLVKDONJSA-N 425.405 0.336 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 775589873 WPNQIERRKJKPOH-KRWDZBQOSA-N 448.453 0.375 50 20 ICGD CCCc1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cnn1-c1cc(C)ccn1 783425193 BTKGZYVVYPQDCR-LJQANCHMSA-N 434.522 0.665 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 806977447 JYORVMYREVFPJJ-QGZVFWFLSA-N 426.429 0.152 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1F 810396261 ULXLOQNAOQMGAH-UHFFFAOYSA-N 440.384 0.329 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 814600546 NVSNZEIVNPZOSS-HNNXBMFYSA-N 447.459 0.551 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)C1 819658575 NDSOYOLTMMYOPT-CYBMUJFWSA-N 426.495 0.742 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 915269535 OZCQLXAQCGTBMQ-UHFFFAOYSA-N 435.487 0.568 50 20 ICGD O=C(NC[C@@H](c1ccccc1)N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916509064 KDBFNIBXGHBZKS-IBGZPJMESA-N 436.476 0.680 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c2ccccc2c1=O 916842114 PPYXPPZCSMCHSZ-UHFFFAOYSA-N 443.423 0.508 50 20 ICGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 919690484 QXTKLHRWCPCDSU-UHFFFAOYSA-N 445.906 0.946 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 1317704670 OTFRYXPZAFUVDT-UHFFFAOYSA-N 429.458 0.156 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778036076 MFUOJLRIZKCLDV-QHCPKHFHSA-N 433.273 0.605 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(Cl)Cl)C3)CC1 1778910571 NJBPAZNOLHAQHJ-DNVCBOLYSA-N 449.379 0.468 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1 1779030820 IMFWTYSHIHYPPA-BMOUEYTDSA-N 435.484 0.842 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781223936 FRBLYPIIVUOAFQ-HOTGVXAUSA-N 427.350 0.959 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nccn3c1)CCO2 1783935303 RSFQPVMZLNTHTO-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382013 MPEWVHXZJGXHCD-QFIPXVFZSA-N 443.504 0.140 50 20 ICGD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788532639 ZLJPRJHDVGEZIB-DZDHOGLCSA-N 433.892 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790372433 ARODFJPRABYFOT-TUUVXOQKSA-N 426.901 0.513 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1791058138 QTLRFGVZJDJCFO-AJNGGQMLSA-N 426.311 0.611 50 20 ICGD COc1cccnc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794302824 SKRPSLKZOGTTSN-REPLKXPHSA-N 437.305 0.655 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cncn2c1 1798194336 ZHAGFPYCZWFKJB-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C)C2)NC(=O)NCc1ccccc1 1799094827 MLBMFNGQZWMOIR-OPVJXMOQSA-N 445.564 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C(=O)C2CC2)[C@H]1c1cccnc1 1803061707 ZEHQFOHSSJKCJI-CRAIPNDOSA-N 436.472 0.379 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1805382510 FEXYXQPEEOGDCU-OLZOCXBDSA-N 443.342 0.847 50 20 ICGD CCc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)c1F 1807845371 YTSVZTXAYKBSQC-UHFFFAOYSA-N 442.300 0.950 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1808354213 DQWBRVNUTQWYCX-VJANTYMQSA-N 431.924 0.652 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808682250 AMPJBSIHFXCQME-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968330 WDSPOMXRUZGYHA-MRXNPFEDSA-N 429.326 0.126 50 20 ICGD COc1ccnc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1 1809978086 WCYVZAWFPYOIJV-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(F)c[nH]1 1812913012 GUEBRBATYZOECP-JXFKEZNVSA-N 436.252 0.862 50 20 ICGD CO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813105798 UEYLCGSYUHIUTF-SIIHOXLZSA-N 426.477 0.435 50 20 ICGD CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)COC1 1814556064 DAQCXIIEIQVTPJ-HNNXBMFYSA-N 427.465 0.751 50 20 ICGD N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815360560 JCIRYTQPLMPQOF-CQSZACIVSA-N 435.274 0.562 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676342 YGCGKRPSPXILDN-RKDXNWHRSA-N 428.316 0.773 50 20 ICGD Cc1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1816411207 ZHVCKXFSACXLTG-GOSISDBHSA-N 434.265 0.808 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817250959 YGNXAVWIEQCFJK-FWDPORAESA-N 433.282 0.685 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474230 BBTNIIIUAXCBEN-IXDGSTSKSA-N 427.314 0.769 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1819520116 WHNXPSBJCCQIOO-ZNNHIBJESA-N 443.595 0.587 50 20 ICGD COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)nn1C 1820379307 DJZKVIPCQRHHKO-HNNXBMFYSA-N 446.512 0.831 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCCN1 1822766244 RDXIIVRSGVWYKG-JLTOFOAXSA-N 428.323 0.191 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1822863048 FHYWKQNOYJTKPB-BEPCFFQHSA-N 436.365 0.884 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827018336 XMKWYNQYOLCBIA-OAQYLSRUSA-N 429.370 0.988 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(F)(F)C1)CCO2 1829657819 CEUSCTZDBKKEJP-DNVCBOLYSA-N 446.495 0.251 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1829781887 GRGSUQOAMPCZDP-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1830370795 YOCJTRDRZAKECO-HXUWFJFHSA-N 429.945 0.720 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1830538444 FWJTYSAUBUMAIV-RHSMWYFYSA-N 429.315 0.371 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831072823 OYCTUBAAZXECQI-UWJYYQICSA-N 429.370 0.940 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831205935 XWAJAFIKLWACOQ-DNVCBOLYSA-N 433.933 0.003 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831655395 XZZLVEUMLPBDSL-LIRRHRJNSA-N 428.917 0.906 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821666 STDTZRUQPWECHS-GUYCJALGSA-N 434.331 0.095 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836717562 GCHXMKZVQUCJBT-LPHOPBHVSA-N 445.004 0.221 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1ccccc1=O 1837691055 GVBOBPLGEOEWAU-FZKQIMNGSA-N 432.304 0.669 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715463 RKEYXMRVHZIUCO-JXFKEZNVSA-N 443.617 0.599 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919074 BCXTVDCPWVAPCE-QGZVFWFLSA-N 446.353 0.792 50 20 ICGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152383 XYGATJWJQXAFLE-IAGOWNOFSA-N 427.325 0.342 50 20 ICGD COc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1839332541 JNUQAYCAGCJINI-BEFAXECRSA-N 448.850 0.643 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(Cl)c1 1839422591 CRTFWITZEKPREO-VQIMIIECSA-N 442.299 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840151249 YKGITOZPPDIUPZ-SWLSCSKDSA-N 427.723 0.482 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185456 MIOWXSMTVFPGLL-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185458 MIOWXSMTVFPGLL-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924918 PLEUVLJDNKRZAK-STQMWFEESA-N 445.948 0.769 50 20 ICGD CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1Cl 1842252866 YNWZUXTXSBQURP-UHFFFAOYSA-N 430.701 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842281274 OYAZEPFHYGKKHJ-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010354 HQJHKUOXYLSMKE-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012149 JJEFQKRYPSGWMV-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2 1844284391 UHBJJDFQALJZBQ-SMDDNHRTSA-N 433.299 0.716 50 20 ICGD COc1cc(C)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1OC 1845452946 FEIDBIFIMKTKII-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)[S@](=O)c1ccccc1 1845775832 OGEAUQNOXFULAJ-ZYSBOAIWSA-N 440.330 0.380 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1846385073 QUQSFZZJLWXEKM-UHFFFAOYSA-N 437.541 0.430 50 20 ICGD Cc1nc(C)c(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]1 12606451 OVLKABAKEIITCX-UHFFFAOYSA-N 447.517 0.565 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)n(C)c1 18396452 NERWQNGMHDDXNP-UHFFFAOYSA-N 442.519 0.735 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1=O 24030409 YJWOJQRURBZYES-HXUWFJFHSA-N 428.424 0.656 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 28679079 QGBMWUAYIHFBSL-UHFFFAOYSA-N 428.430 0.547 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725739741 MZHRHSPFPRRZHV-UHFFFAOYSA-N 428.467 0.376 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cn3cnnn3)cc2)cc1 725905055 IDAZBSDRLJIRDC-UHFFFAOYSA-N 445.461 0.334 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 727498682 XXBUVQCCKSPXLW-UHFFFAOYSA-N 445.482 0.241 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1 727844474 UJENOGIYXCNZSJ-UHFFFAOYSA-N 438.337 0.515 50 20 ICGD CN(C)N(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 728161824 OSHXXWVWRPGESZ-NSHDSACASA-N 439.353 0.959 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 728216137 SGUOZDWWDCOIMF-UHFFFAOYSA-N 427.527 0.591 50 20 ICGD O=C(NNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 729339902 CUVHZBJLTISLNJ-OLZOCXBDSA-N 446.938 0.373 50 20 ICGD O=C(NCCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 729615197 TZGGUPZOESYOSL-UHFFFAOYSA-N 442.480 0.931 50 20 ICGD Cn1nc(C(=O)NNC(=O)C2(S(=O)(=O)c3ccccc3)CC2)c2ccccc2c1=O 731341923 XATQBLOOCJGHKJ-UHFFFAOYSA-N 426.454 0.701 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2c[nH]nc2C)CC1 731852520 VRDFPJNFTJKCKU-UHFFFAOYSA-N 449.489 0.367 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@H]1CCN(CCN2CCOCC2)C1 734686505 POSWBBYHGRETSM-SFHVURJKSA-N 427.509 0.223 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)c1cccs1 735585374 FBAFZRROEQDBKD-HNNXBMFYSA-N 445.549 0.414 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)c1csc(N2CCOCC2)n1 742037276 VYHBQARQVVHAQY-HNNXBMFYSA-N 444.517 0.688 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 743590399 HRNIKVMPJHNPSQ-UHFFFAOYSA-N 446.489 0.518 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)nc3)CC2=O)c1 746129742 YPUUXWGWJVVGEB-LLVKDONJSA-N 437.865 0.197 50 20 ICGD COc1nc(N2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)ncc1Br 750832107 BSEHKWIKIVFXNX-GFCCVEGCSA-N 443.346 0.952 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 751204700 MYOJUOWSKGGSFJ-UHFFFAOYSA-N 447.407 0.875 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Cl 751207067 QFTFQYDBTURWHW-UHFFFAOYSA-N 428.854 0.374 50 20 ICGD CCn1nccc1C=NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 753689141 BDAYYEWRUMXFNQ-UHFFFAOYSA-N 448.487 0.795 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 756633370 HSCVHETXUIOKHQ-UHFFFAOYSA-N 440.503 0.821 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NN=c3cc[nH]cc3Cl)c2)CC1 757405858 HRLKKKYPFKZABX-UHFFFAOYSA-N 437.909 0.767 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 758038061 BYDLPDZWAWUYMK-OCCSQVGLSA-N 428.511 0.208 50 20 ICGD Cc1c(I)cccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758053018 KPBSOQJVEQTPDG-QMMMGPOBSA-N 425.248 0.298 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)C(=O)Nc1ccccn1 758841254 ORUNGUHQEFOKHR-INIZCTEOSA-N 439.472 0.875 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cncc(C)c2)c1 763510085 YDHPAKZCVHXRTE-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763661387 BAMQRCZKTVOONO-UHFFFAOYSA-N 446.435 0.836 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 763818113 AHIKNQJSXZFCPH-UHFFFAOYSA-N 445.426 0.789 50 20 ICGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)S(N)(=O)=O 763939740 HDYBGTSCUQCFTN-PWSUYJOCSA-N 444.579 0.453 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764389239 NWFVELKUSQBPNQ-UHFFFAOYSA-N 427.442 0.985 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCn1c(=O)nc(O)c2ccccc21 765316740 DQWGHDJRYIHBOV-UHFFFAOYSA-N 433.465 0.945 50 20 ICGD CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765726141 ZBZYPCIWDOZWAA-AWEZNQCLSA-N 440.504 0.898 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 768707056 RNZZWIIMMQHSRA-CYBMUJFWSA-N 434.559 0.937 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCc3cccnc32)CC1 770001917 NRSKSXPYFOVYAR-MRXNPFEDSA-N 430.534 0.976 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 775495428 FCKYRXRFAZDKDL-MRXNPFEDSA-N 440.412 0.948 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 776077012 PRAOIFKUZPHHJD-HNAYVOBHSA-N 425.507 0.695 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 777939933 SIAUSNJRIBNBAS-UHFFFAOYSA-N 425.460 0.063 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 781801342 SMDYQGJFLGBZJU-INIZCTEOSA-N 431.518 0.575 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc(Br)cnc1-n1cccn1 782065844 HQQAGEPKXSOPLH-VIFPVBQESA-N 443.283 0.617 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 784004191 BTIYUOIPTIORDG-OAHLLOKOSA-N 446.485 0.822 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNc2nccn(C)c2=O)c2ccccc2O1 785090380 QSLXHFISMQUHAJ-MRXNPFEDSA-N 442.476 0.322 50 20 ICGD COc1cc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1O 789260378 SKTOWXLYUXMUOG-KRWDZBQOSA-N 446.412 0.483 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 790062964 DUEQTEIQDSEVTR-HNNXBMFYSA-N 443.522 0.694 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 790951183 DQAUDFXATFEULM-ZDUSSCGKSA-N 431.449 0.488 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 792813424 MZKBIKYNNCOJOW-LJQANCHMSA-N 434.449 0.080 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 792814465 XKQZPKRUFVOBCI-UHFFFAOYSA-N 434.474 0.847 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc(Cl)cc1C(N)=O 793024930 IJCFNYLLVXSENM-UHFFFAOYSA-N 436.808 0.318 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2O)cc1C 794581606 JEWNPDYDHPPFNQ-UHFFFAOYSA-N 433.895 0.885 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c(OC)cc1Cl 803397371 UCRMUVSBKKWHFX-UHFFFAOYSA-N 431.858 0.810 50 20 ICGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nnc(O)c2ccccc12 806273064 OTOMMHGHUBGFTC-ZDUSSCGKSA-N 447.448 0.943 50 20 ICGD O=C(NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-n2cnnn2)cc1 807137002 XCXNURNEEZVGEF-UHFFFAOYSA-N 437.420 0.747 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 807240057 MPUYRAOQKYHWTQ-YEJXKQKISA-N 447.492 0.793 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNc3cccc(F)n3)cc2)CC1 807391098 FQBGWRROHBPEMW-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1c[nH]nc1C)N1CCOCC1)c1c[nH]nc1C 814854960 BQTUZSAUYYRFDG-GOSISDBHSA-N 443.512 0.221 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1OC(C)C 815691938 FZCQYKCUGFMDAC-LBPRGKRZSA-N 444.448 0.200 50 20 ICGD COc1cccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 913263483 CZCVVLJUVAWFPC-PNDHZVEESA-N 447.513 0.477 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc2cncn12 1116531051 YBIVYNDSRWIQPT-UHFFFAOYSA-N 443.485 0.738 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1116886505 TUFMVOUIMKHFRF-HXUWFJFHSA-N 433.486 0.911 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)C3CCN(C(=O)COc4ccccc4)CC3)nc21 1319292378 LRVKCRDBJOXOSS-UHFFFAOYSA-N 425.449 0.830 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778517866 LVDJHCRZBFLORK-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1780096920 MLMGEQVUCWNJDS-ZUOKHONESA-N 434.449 0.558 50 20 ICGD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1780725723 NUDIMVUPPLHPKH-HSZRJFAPSA-N 437.305 0.190 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329895 NFQDCMSSAPJZIN-BONVTDFDSA-N 427.234 0.258 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1783612985 CCCPGOHIMVRUNM-ZYKCCNLVSA-N 449.907 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783932990 NYYFACKXAQCBIT-QHCPKHFHSA-N 441.532 0.694 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947265 QXEPQDAODRQOOG-ZBEGNZNMSA-N 426.297 0.463 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1OC 1784093247 SSSARRUNDOMFKK-AFIMGQEJSA-N 426.897 0.897 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351372 KPHDJGCSRQLIFQ-IFXJQAMLSA-N 426.901 0.495 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC(F)(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786980184 SEKYMHPMWKIADF-XIRDDKMYSA-N 442.243 0.692 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)(C)C)C[C@@H]21 1787506649 KBMWNVUBDXJGOT-CKJXEIKRSA-N 447.536 0.507 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccn4n3)[C@H]2C1 1787846136 AWHRZUFJMNIRPA-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)nn1 1789105108 JUHVLOBERSIWMU-UHXUPSOCSA-N 427.299 0.862 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n[nH]1 1791290904 RRMCDUQFZKYCKM-MPGHIAIKSA-N 434.541 0.499 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293151 LYKWRIOZTIUUTM-UMGGQSCQSA-N 445.564 0.613 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794110906 AVOCYNJNAQXDBL-ORXSELOVSA-N 445.303 0.386 50 20 ICGD Cc1cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2[nH]1 1795734636 WQPDCSCZBJNMSO-RMFSNUHRSA-N 447.300 0.673 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c2n1 1796190945 HCUNDHCUQPLPMC-REPLKXPHSA-N 447.304 0.592 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1796840104 ZLJKKMBQOXOGKI-AICCOOGYSA-N 433.933 0.764 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2 1797754049 QZMIEJLXYLRAFL-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1803140040 AQEJAMZUESQVQS-NXWXRZEISA-N 437.972 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccon2)[C@H]1c1cccnc1 1805994367 WMKAUZBMWMNTNU-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369346 HHOUEJBXJYFMRW-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2(F)CCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374324 JRKLEOAPQCIZKB-MJGOQNOKSA-N 425.269 0.973 50 20 ICGD COCc1oncc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978190 OKGITQDVKUGSEM-UHFFFAOYSA-N 441.293 0.659 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1810297907 GBGVDQXKXJRCBQ-YJBOKZPZSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1813071618 VMRSUIZNJZNQIY-QRWLVFNGSA-N 441.492 0.270 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814476145 XPYFMDNZWRWKEV-AEFFLSMTSA-N 441.297 0.310 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(F)c1)CC2)c1ccc(B(O)O)cc1 1815339571 HROBMXPQWJSCOX-HNNXBMFYSA-N 440.265 0.897 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817264118 HGBRBMDUPFXBGY-IRWQIABSSA-N 427.314 0.769 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470529 UNJFPBSGPTZRFF-FUHWJXTLSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1)[C@@H](O)N1CCOCC1 1819448440 QXDHOFBCGDPNDA-NORZTCDRSA-N 448.293 0.743 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819579750 NTPPCPGPECWSDO-DYVFJYSZSA-N 439.281 0.086 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826563906 OKQZPGNVVPZSMD-HZRUHFOJSA-N 437.290 0.485 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1830361688 AJMZUWPXKHYVDC-IBGZPJMESA-N 436.900 0.459 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719533 FQQMIBZINULUOT-KXBFYZLASA-N 427.885 0.150 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1833091376 FYUNEZDYJVAWQF-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833203591 RBZMCAUQAXSXCZ-GJYPPUQNSA-N 428.917 0.229 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833532173 GLBYHNMANHKUKW-IRXDYDNUSA-N 429.993 0.558 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833678027 REHGLQYMOXPKCW-OAHLLOKOSA-N 427.933 0.127 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835901858 WZGMJYJKFZIXGO-QKLQHJQFSA-N 433.977 0.719 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837288898 JJHRPJMMHJMGJB-WPECMILSSA-N 444.370 0.566 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1837456002 HJGCXRYYWJDVRE-OPAMFIHVSA-N 443.504 0.111 50 20 ICGD O=C(CCBr)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837653741 WGXQCVROKHAWCB-UHFFFAOYSA-N 429.319 0.457 50 20 ICGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199517 PGKGQKYMKIEGMP-NVXWUHKLSA-N 437.306 0.950 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cnc2c1 1839600453 FGAPBSGDSAXDNV-JXFKEZNVSA-N 436.896 0.312 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(O)n1 1840034430 KYGZLOYJABNEHI-UGSOOPFHSA-N 442.310 0.949 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840153944 GGZUWAVVDFTNCN-UWJYYQICSA-N 443.972 0.715 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012799 PYDVPMIMECZDCN-KRWDZBQOSA-N 445.325 0.487 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013210 UZEBRZDPJPFYGK-GOSISDBHSA-N 436.273 0.414 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccccc1C(N)=O)C2 1843416674 LTXSLDXNFGURBJ-AFUMVMLFSA-N 436.472 0.737 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccco2)C1 1844344968 COJSPRKHFCCNMG-RMKNXTFCSA-N 431.493 0.028 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nnc2ccccc21 1848001882 LCTXPPNKRNNVLR-XLXMKANJSA-N 448.487 0.767 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OCCCC(=O)O 726154949 CJJWSLVSCVGJAP-UHFFFAOYSA-N 439.446 0.571 50 20 ICGD C[C@@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NC(=O)C1CCCC1 728344118 TUGMNEWZCJNFNG-GUYCJALGSA-N 433.461 0.602 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 728526283 OTYNRDHEFLPNED-UHFFFAOYSA-N 425.195 0.989 50 20 ICGD Cc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729274830 FGAKVUPWLZODQI-LLVKDONJSA-N 426.524 0.017 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](CCSC)NS(=O)(=O)CC 730514879 NTKSGMYWJOOQCR-CQSZACIVSA-N 441.579 0.807 50 20 ICGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 731467292 QCAMHUYKKGABMZ-CYBMUJFWSA-N 446.551 0.238 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 732257331 KNDNOKOYXSMTGJ-UHFFFAOYSA-N 434.456 0.462 50 20 ICGD CC(C)OCCCn1c(NNC(=O)Cn2cnc([N+](=O)[O-])n2)nc2ccccc2c1=O 733265636 IBTIBFVIKUABIE-UHFFFAOYSA-N 430.425 0.855 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCc2ccccc2C1 740987241 OXWLEZWAOGACQO-YWZLYKJASA-N 439.468 0.964 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 741186457 FQAAYJUNILANIO-QGZVFWFLSA-N 431.541 0.918 50 20 ICGD O=C(NCCN1C(=O)CNC1=O)NNC(=O)Nc1ccc(Br)cc1Cl 743610427 ROQRRVXRPWRYOY-UHFFFAOYSA-N 433.650 0.990 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1C 745700928 IAXMZXPVMJFZPH-XHDPSFHLSA-N 427.523 0.835 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2cccc(OCC(N)=O)c2)nc1 745898760 AYCONNGWSBBKGS-UHFFFAOYSA-N 436.494 0.459 50 20 ICGD CC(C)OCCCn1c(NNC(=O)c2nc(O)nc(O)c2N)nc2ccccc2c1=O 746257799 HUFVGSFOJZHXPH-UHFFFAOYSA-N 429.437 0.752 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 747325084 RHBFYMIMMGZGEH-QGZVFWFLSA-N 447.473 0.923 50 20 ICGD C[C@H](NC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 751617906 FLUDAAJAPGSKCG-NSHDSACASA-N 430.527 0.754 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)CC2 756600471 FXFROWJMFHBAFM-UHFFFAOYSA-N 448.501 0.436 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C[C@@H](C)O1 757408946 XLBQIAZFCKWBRL-VXGBXAGGSA-N 434.478 0.130 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 758048732 UZCYPJPDCAPJFM-FJPKCYBQSA-N 425.511 0.304 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)CNC(=O)c2cccnc2)c1 763165787 SJEYCGOGIQXVHQ-UHFFFAOYSA-N 436.519 0.080 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1=O 763674069 KOYCQYRNOMMCIZ-UHFFFAOYSA-N 448.233 0.184 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cccc21 763931668 JZXSRVMBEMEULG-UHFFFAOYSA-N 434.449 0.476 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)c1 764001714 CVIDSXDERHIZPF-LLVKDONJSA-N 443.453 0.302 50 20 ICGD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002653 PCMVZZQRKOCMFT-SECBINFHSA-N 437.396 0.625 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)Cc2cccnc2)ccn1 764268272 PAHYBXLUWZMVGR-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)n1 764434592 QSQRUBZCAIHAFC-HNNXBMFYSA-N 431.474 0.746 50 20 ICGD CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640775 WFEIPYUJUBWBCY-HNNXBMFYSA-N 432.525 0.968 50 20 ICGD CCO[C@@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)n1 766899402 ZBJGMCQRCUBBMS-KRWDZBQOSA-N 444.536 0.983 50 20 ICGD C[C@H]1C[C@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 771437112 XVRIZXYSNBENIH-LSDHHAIUSA-N 426.543 0.459 50 20 ICGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 771860375 ICKGUIQGMGXMQV-KRWDZBQOSA-N 430.486 0.404 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 773861673 OTDNLUSAYALJBQ-UHFFFAOYSA-N 441.720 0.958 50 20 ICGD CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001819 DRZYCOVNHRNHHD-UHFFFAOYSA-N 429.433 0.324 50 20 ICGD Cn1c(=O)oc2c(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cccc21 784210157 FQYZAXNEMLYOAH-UHFFFAOYSA-N 445.457 0.654 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2ccc(Br)nc2)c1=O 784806029 ACNYMZRPWVFMEP-UHFFFAOYSA-N 438.238 0.651 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1=O 785650880 GCOZNRSDIXQUKF-OALUTQOASA-N 444.532 0.561 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 785721081 ULVSRJWUOLVEGF-MSOLQXFVSA-N 429.473 0.740 50 20 ICGD CS(=O)(=O)c1cccnc1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 787385387 DZRPZMGDDFDNQC-UHFFFAOYSA-N 430.446 0.521 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCc2ccccc21 788143004 IPHRYKYRYYNVEK-LIRRHRJNSA-N 425.441 0.968 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c1C 796989896 KTDSDMAJZCKWKK-ZDUSSCGKSA-N 445.432 0.121 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2([S@@](C)=O)CCC2)cc1 798120936 DEPADCOXHVAAAT-HHHXNRCGSA-N 430.552 0.247 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 803262477 ADGSAQMJASLCFE-KSSFIOAISA-N 443.485 0.561 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc2nccnc2c1Br 806675069 KZBSKZFABPVESF-MRVPVSSYSA-N 428.268 0.980 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1C 808089060 OUUUZQMRXUMKME-UHFFFAOYSA-N 445.400 0.996 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815569592 ZMOGVCNXGFVWGV-UHFFFAOYSA-N 447.452 0.969 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1OC(F)F 815691975 GUGRAAGSMPULTB-QMMMGPOBSA-N 428.783 0.881 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)c2cccn2C)CC1 917126567 JJJFVRKZXHIBIB-UHFFFAOYSA-N 433.896 0.906 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)N(C)c2ccccc21 919700316 GVUYDDDJKJOZNL-UHFFFAOYSA-N 436.472 0.858 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1ccnc1 920426887 FKJDBGPRNHCIFL-INIZCTEOSA-N 449.533 0.635 50 20 ICGD N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 920435030 AUXFSXCTXQSYQD-UHFFFAOYSA-N 426.433 0.792 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 1116577926 YIPFEVGYKTZCOX-UHFFFAOYSA-N 438.531 0.721 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1778786750 IGXDBWPSRNLOJN-HFBAOOFYSA-N 426.297 0.117 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1779028492 FSZWJXYJMMXHAV-HXUWFJFHSA-N 446.414 0.116 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230895 AKVQPHHEYVHEBZ-IPELMVKDSA-N 435.396 0.689 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1783871405 QORUQROLAXHLDK-UWJYYQICSA-N 437.924 0.842 50 20 ICGD CN1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO3)C1 1784780035 WFRUKHQGULUHMI-YWZLYKJASA-N 444.960 0.510 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1785826935 IEZDCPJQTRLPKA-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD CCN(CC)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790604394 HBQQZHHPXPVXOF-VJANTYMQSA-N 439.601 0.317 50 20 ICGD COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1793336203 DVCZAOGNLQZALU-AMFOTSNXSA-N 431.493 0.137 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H]1CCOC1)C2 1796446139 MYECZPUDBWIHMP-SHUMTMQLSA-N 445.520 0.527 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Br)C2 1798476905 QIVGGRAXICYUGN-CEVLRCNZSA-N 433.299 0.903 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CC1)C2)NC(=O)NCc1ccccc1 1799095138 VGTHKGKOQYDJSS-HATOLVCRSA-N 443.548 0.722 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2)[C@@H](O)CCl 1799839122 NRKZYJAMNRJVLN-CRWXNKLISA-N 426.926 0.129 50 20 ICGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)nc2ccccc21 1801014892 RNVFFIFTYPAIIZ-GNXNZQSNSA-N 439.299 0.940 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCC=C1F 1802207523 BDXWIEJBHASVGF-QKSJRXBFSA-N 434.248 0.315 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccs1)C2 1802332825 GGPMKCWWJVGZBG-QDMKHBRRSA-N 435.550 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)[C@H]1c1cccnc1 1805492433 KBQFNUVPCMUXDO-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364615 QXSCNFSEPAIRAM-UTKZUKDTSA-N 439.277 0.034 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807374178 JKLGBPSVWKDLBO-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978923 YEHOSBUBAWXTQT-KRWDZBQOSA-N 443.353 0.516 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1810563529 FFEUVPHANYDRQY-OWSLCNJRSA-N 440.928 0.492 50 20 ICGD Nc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cs1 1817384798 KNLAXSGLSJOAPD-HNNXBMFYSA-N 440.294 0.748 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818121734 KDELNYXWFLRZFJ-ACJLOTCBSA-N 441.297 0.262 50 20 ICGD Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)n1 1819402144 PLCSHHGMORLVAD-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(=O)n2C)[nH]n1 1822413472 XNTFYEJOHAVRPI-OAHLLOKOSA-N 443.508 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)CC1 1827602152 CVJCOZVGUUPNIQ-INIZCTEOSA-N 448.524 0.494 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1830719738 JFZZZHZQELNYIS-RZQQEMMASA-N 426.897 0.441 50 20 ICGD COc1ccccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720396 ZGYQGIWTHYFDBJ-LAUBAEHRSA-N 440.924 0.684 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831643665 GEJHUUWLDAYDAI-BEFAXECRSA-N 428.917 0.906 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1831651857 UDVLAOPROFDWIP-FZKQIMNGSA-N 428.921 0.183 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834822339 IDKSYVDKPNJHNJ-HNNXBMFYSA-N 437.360 0.245 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1835085496 JHWULTXGKILGCM-QHCPKHFHSA-N 446.548 0.367 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837051811 KHNSBAKLAANEPJ-FZKQIMNGSA-N 442.925 0.720 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837442562 ZPJMGMSGFKTGLH-TYJAPOHBSA-N 445.358 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837747462 NWRLXZJCWPPOEA-GQIGUUNPSA-N 440.928 0.592 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839666861 JMELHONIIYSXES-RFUYNDQBSA-N 442.875 0.191 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839962643 MMBKTAOPVRDBKV-QAPCUYQASA-N 443.342 0.972 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@@H]2OCCc3ccccc32)C1 1841552986 OQSLZLDYVGKODR-NRFANRHFSA-N 434.301 0.888 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc(OC)c1C 1843015518 LSBQEGJHSFVBOT-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD COC1(CC(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CN(C(=O)OC(C)(C)C)C1 1843846692 GFIOQADLHWARLS-CQSZACIVSA-N 445.944 0.816 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)N1CSCSC1 1844319723 LVLWPUCJCJOLAO-AWEZNQCLSA-N 429.612 0.606 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc(OC)c1OC 12968757 VMSLXCWZDZCNNF-UHFFFAOYSA-N 435.458 0.855 50 20 ICGD Cc1nnc(NNC(=O)CNC(=O)c2ccccc2I)nc1O 23311089 PGLHRTGSLXOZIW-UHFFFAOYSA-N 428.190 0.363 50 20 ICGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)C(F)(F)F 105569656 RMEYDIPYRNSIDB-KRWDZBQOSA-N 438.366 0.913 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)n1 728729552 PNVIQLWJSPPGFA-UHFFFAOYSA-N 445.457 0.156 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 728848268 JQYRXXXHORSQOM-INIZCTEOSA-N 438.488 0.902 50 20 ICGD CCS(=O)(=O)N(C)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 731355220 ZLFBCESCKWPRHU-UHFFFAOYSA-N 442.538 0.211 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1 731891112 JOCXMNCFHUQBEQ-HNNXBMFYSA-N 438.467 0.773 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cc1 732302995 UJAQNLLEAJNSCI-UHFFFAOYSA-N 427.504 0.772 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)n1 734488428 BEHMKERJOXZNDC-UHFFFAOYSA-N 437.547 0.454 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1C 736754779 HUGHHSZJXAZARZ-UHFFFAOYSA-N 425.488 0.884 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C(=O)O)oc2C)cc1 746053934 JIWBSEUJGNRCSA-UHFFFAOYSA-N 445.475 0.225 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 746386104 MYCACPPXIFZNFC-ZWKOTPCHSA-N 432.521 0.399 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(O)nc1=O 747778038 AHJKUBQCICVUDV-LJQANCHMSA-N 433.468 0.874 50 20 ICGD COc1nc(N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)ncc1Br 750840831 ZLHJTILSHGFRPY-UHFFFAOYSA-N 429.319 0.563 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 751206469 HKHQXQVKBHLYGN-ZDUSSCGKSA-N 440.412 0.246 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 752789790 PWVQEUPYWRTDJC-BZUAXINKSA-N 448.520 0.703 50 20 ICGD Cc1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(N2CCOCC2)c1 753802975 SCTNYIYIXNHJSG-UHFFFAOYSA-N 436.476 0.952 50 20 ICGD CCn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 756797494 NZRUDOOUCBMZQQ-UHFFFAOYSA-N 436.450 0.671 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1 757772521 NRTFDRHBKWJYKX-KGLIPLIRSA-N 432.481 0.936 50 20 ICGD CC1(C)OCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CO1 758729638 FZKXHBXLJLCQNO-UHFFFAOYSA-N 426.495 0.567 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(C)=O 763515197 JJIIDZYAWZZSHD-UHFFFAOYSA-N 427.527 0.669 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1 764001700 CFXSBRRPQPYWIW-UHFFFAOYSA-N 436.266 0.937 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764266308 AJLIHASSSZIBHW-UHFFFAOYSA-N 425.445 0.797 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)c2cnn(C)c2)C1 764358294 IVKZTCHXRXBVOU-OKILXGFUSA-N 426.477 0.938 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 764423595 BYLSQOUCEYNDCD-QGZVFWFLSA-N 426.429 0.118 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 764427864 DETZAMNSIKHPTD-GFCCVEGCSA-N 442.400 0.913 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCCN(C)C)cc2)c1 764432663 ISQKBAIWOOJISH-UHFFFAOYSA-N 442.476 0.770 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@]2(OC)CCOC2)c1 764810068 MWTCZRBMJVICGI-GOSISDBHSA-N 428.511 0.467 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)c1 765622616 AINSTDKEEGZDMN-UHFFFAOYSA-N 430.417 0.850 50 20 ICGD Cc1nc2ccccc2n1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635783 DZJYSAZSHNOADE-UHFFFAOYSA-N 434.500 0.950 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)CCc1ccccc1O 767965480 XFLGNIKWUHWSKB-UHFFFAOYSA-N 425.489 0.996 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 768635074 VAPHKNGDXQZUMW-UHFFFAOYSA-N 437.499 0.767 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 770347992 WIZVSUCOGSLRIK-UHFFFAOYSA-N 446.493 0.680 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCN(CC(=O)N(C)C)CC1 770523257 NGZWDOBXLLMWAQ-CYBMUJFWSA-N 425.917 0.990 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2nc(COc3ccccc3)n[nH]2)c2ccccc2c1=O 771375861 FTSDHJXEDWNSEV-UHFFFAOYSA-N 448.443 0.775 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3c(F)cccc3F)cn2)C[C@@H](C)O1 773707121 FFKQWTJFYFLPND-VXGBXAGGSA-N 436.419 0.879 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777779346 IYGXMZZKFNIVAX-UHFFFAOYSA-N 448.339 0.642 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCC[C@@H]1CCO 779710392 FVDFPYBUBXXFKE-PBHICJAKSA-N 440.522 0.203 50 20 ICGD Cn1cnc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cc2)n1 779864069 CMFTWQBWEMVTEB-UHFFFAOYSA-N 434.865 0.858 50 20 ICGD O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 780327114 XGHHGMJVTBAVEK-SJLPKXTDSA-N 445.497 0.836 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003740 NIOSWORNWQEEQC-UHFFFAOYSA-N 440.384 0.329 50 20 ICGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n1 784004330 WUSHRALYEDAMNS-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 784915019 DTORAKGYBGQOGC-UHFFFAOYSA-N 438.460 0.118 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 786581586 ZZEFHKAFEQBXTJ-LLVKDONJSA-N 432.311 0.452 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 800836430 VCGKESOMHWHJDY-UHFFFAOYSA-N 426.520 0.664 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802469672 RNWZGBVLUJZYGY-AWEZNQCLSA-N 426.433 0.030 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806978866 MMFMEUQEWQYVLX-UHFFFAOYSA-N 445.407 0.616 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccc(S(N)(=O)=O)cc3)CC2)cc1 811645268 GNAOEPSCFMEPNM-UHFFFAOYSA-N 429.546 0.910 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H](O)c1ccc(Cl)cc1 813486774 BCRGFPXLWQBBLM-LJQANCHMSA-N 430.892 0.979 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)C1CCCC1 815570425 BWBQFZMMWLMLDA-HNNXBMFYSA-N 439.490 0.213 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778123 CVPLNBJEDJKANF-QGZVFWFLSA-N 446.485 0.777 50 20 ICGD O=C(CCc1nc(-c2ccccn2)no1)NNC(=O)c1csc(N2CCOCC2)n1 915063712 IKCXSCDBDASYSR-UHFFFAOYSA-N 429.462 0.819 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 919689969 IUCSRWIPGWESSB-UHFFFAOYSA-N 428.470 0.986 50 20 ICGD O=C(NNC(=O)c1cc(O)nc2c(Br)cccc12)N[C@H]1CCS(=O)(=O)C1 1323560392 BXUDXWXMKQSJFI-QMMMGPOBSA-N 443.279 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777735129 AGGULPFPLDZIKZ-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779295326 IKGDCEDZSSZWCP-IBGZPJMESA-N 433.541 0.730 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)CO[Si](C)(C)C)C4)C3)CC2)CC1 1779299697 DHPRQPAXPROVCR-HXUWFJFHSA-N 438.645 0.448 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780159113 VUHIGYXHFDSQPP-DNVCBOLYSA-N 428.844 0.814 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780620649 PQGAYTJSXYPQEF-DCZDKMHXSA-N 429.521 0.859 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097466 BZIDSFYTSIKSIE-BXWFABGCSA-N 445.402 0.626 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ccc2c1OCCO2 1784090547 HYMBROAITHQZJJ-SCNOPHJPSA-N 438.908 0.959 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C[C@@H]21)[C@@H](O)CCl 1784091741 AGHJURWKWKIOKN-BSZJXLGXSA-N 437.924 0.829 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 1787508681 HIIOQEPHUGFTDV-QECDCCOMSA-N 445.520 0.527 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789360226 AKXVXQGOKDNKSO-NAKRPEOUSA-N 439.822 0.671 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1791252867 UKFPXYSSEOBBNI-ABHRYQDASA-N 430.864 0.630 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791685105 JJEGRHUPIWBDPY-QMVSFRDZSA-N 429.319 0.245 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794109255 CMAGADXMOZRIGH-XXBVRILMSA-N 428.848 0.117 50 20 ICGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(F)c1 1796188326 PPTGONIDTLTRPH-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(C(F)(F)F)o1 1796405463 GJOXWHGHPWXIAO-LMLFDSFASA-N 425.791 0.805 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCCC1=O)C2 1796893550 GVGFXDKDFKBWTC-GSWMANSFSA-N 442.520 0.771 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)C(C)(C)C 1800757740 UVJMKJGXRDMXKK-LFHLZQBKSA-N 432.359 0.910 50 20 ICGD Cc1ccc(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012173 KLIOXXMCTPMCQR-XEMDLRDOSA-N 430.505 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCN2C)[C@@H]1c1cccnc1 1803941784 MGRLZNBGIUYOQN-LQWHRVPQSA-N 430.553 0.555 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1805382294 CXDLAWIVAAOEBY-ZDUSSCGKSA-N 443.342 0.800 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1805883493 OAOOTPKRTPLXJE-UTKZUKDTSA-N 427.509 0.357 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362622 LVSQIWODCLWCMX-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1808661351 JGHMPYIGFSTCJJ-BPLDGKMQSA-N 441.305 0.618 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068512 NQLGAEUUADRTHA-LQWHRVPQSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1813071599 VCOZXRPYGROFBR-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814531308 DWQSJFDGFRJVKS-INIZCTEOSA-N 442.350 0.535 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343800 PXKHABMKCFMQBC-DOMZBBRYSA-N 444.322 0.850 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnoc3)sc2C1 1817453605 JLZFAHUHUVBNAA-SNVBAGLBSA-N 427.446 0.669 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817606753 MNVXBVGDPXPRBQ-SNVBAGLBSA-N 437.551 0.902 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822184403 KSQQDRQTDZCCOU-GDPRMGEGSA-N 441.286 0.783 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824488858 JKYMNMUMTOTNPG-UTKZUKDTSA-N 426.322 0.638 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1 1825694700 GVAQVRQHCBZQFV-BHPKHCPMSA-N 435.550 0.996 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)CC2 1825994494 MFQCUMURAQSFCV-DCAQKATOSA-N 437.971 0.990 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060665 WIFZGBRWQXXWOS-MOPGFXCFSA-N 436.745 0.854 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829489935 NAHJJIIFXNIOQT-SJKOYZFVSA-N 431.829 0.512 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1829851068 OLRCIMLNXUCYGW-WMLDXEAASA-N 434.331 0.143 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1830537301 DBCCXPDAHFOIFZ-ACJLOTCBSA-N 443.294 0.741 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733510 NTDCRKZMNQTCEX-CRAIPNDOSA-N 445.831 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831892752 BUPIFVIOMMHNAS-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCOC2)CC1 1832377073 AKLIORGUTOJXKT-QFBILLFUSA-N 429.521 0.955 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1cccs1 1833030227 QFHKZYPDFOWHLK-RHSMWYFYSA-N 433.889 0.469 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCCC3)CCO2)C1 1834659713 SBLMZAMXKUWURV-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836034469 JKERUDKUAVHQJH-RDJZCZTQSA-N 448.264 0.910 50 20 ICGD O=C1COc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc2N1 1836992870 YVWYGQGSFAIKCK-QFBILLFUSA-N 441.843 0.622 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837330378 MEMRROLVVBVTDM-WBVHZDCISA-N 434.921 0.942 50 20 ICGD Cn1cccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837389380 TYUUZVFJFKXRFC-UHFFFAOYSA-N 439.321 0.631 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837647535 NBIZTPAFVSVWQR-WWGRRREGSA-N 448.293 0.061 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837708519 JVACZYCNSXFXLY-IEBWSBKVSA-N 426.542 0.621 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)ccn1 1838720561 SRIKNUPDVOAZCK-HNAYVOBHSA-N 443.859 0.863 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1838985217 QEVFTUGDYXQQFP-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068491 XNNZWTJKHQRPBC-HDMKZQKVSA-N 432.359 0.568 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201049 VDVMJTUFCKXCFD-CZUORRHYSA-N 433.278 0.787 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839961979 PHLRAVVVDNEJFM-HUBLWGQQSA-N 427.723 0.216 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840031220 IXPFYNQMZXSJMU-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840089278 MKRULWCJMZDXSA-VFVRVIDISA-N 437.896 0.890 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405148 DMCHYMIQMUFGIT-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1846384958 DLOVLACCBOJTCC-UHFFFAOYSA-N 433.900 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc(O)c3ccn(C)c13)C2 1846385388 ZUHFRJGLLLQNNR-UHFFFAOYSA-N 428.493 0.469 50 20 ICGD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785822 DXISBCRCTDQQKC-CQSZACIVSA-N 443.481 0.798 50 20 ICGD C[C@@H](Sc1ncccc1C(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)N1CCCC1 726149716 HCYYWBIIPQSDFD-CYBMUJFWSA-N 445.501 0.969 50 20 ICGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 731597242 GTQNBNSENXHUAE-QGZVFWFLSA-N 431.357 0.782 50 20 ICGD C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 731679352 IKRCYRAEJCCOCY-ZDUSSCGKSA-N 430.469 0.958 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccnc(OC2CCOCC2)c1 733343051 RADFKQJSWFVWDC-UHFFFAOYSA-N 433.490 0.961 50 20 ICGD COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 734807726 ANUWHUQVSMYEOC-SWLSCSKDSA-N 441.506 0.843 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1 742065925 KXQLQLZJKLJOMS-JTQLQIEISA-N 445.448 0.766 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 743829856 FPLYTWCJRZRLKF-UHFFFAOYSA-N 440.503 0.855 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 749838162 PXMZFDBWXMHARV-UHFFFAOYSA-N 441.882 0.117 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 751066060 ATRDZJVSAOAOEN-GJZGRUSLSA-N 439.538 0.440 50 20 ICGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751283567 XVIRHUZUAXTFQQ-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD O=C(NNC(=O)C1CCCC1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755536071 RJPZPNOQYZBJMF-AWEZNQCLSA-N 444.535 0.495 50 20 ICGD O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757248394 ODXXXPQYGBEWJK-INIZCTEOSA-N 440.522 0.611 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCNC(=O)c2cc(F)ccc2Br)nn1 757405183 IHLVYWQLBDISPZ-UHFFFAOYSA-N 425.218 0.740 50 20 ICGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNc1nccc(N2CCOCC2)n1 762855569 GZCLUCBQFNRFIV-NVNXTCNLSA-N 432.506 0.737 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1C 763278191 LKEFULANZKOJOY-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c(C)c1 763645842 CQSKODLLEDXTDB-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1 763675710 ZMMXTZZOAVQUJP-UHFFFAOYSA-N 437.412 0.675 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 763808788 FWAZQADPCFEWHQ-UHFFFAOYSA-N 425.489 0.912 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccnn1-c1ccncc1 763949079 NVETVRSGHCMGLX-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(COCc2ccccc2)cc1 763999356 VZDRCPSAAVYRLO-QGZVFWFLSA-N 445.497 0.924 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764160365 AVIPACULOFATNW-UHFFFAOYSA-N 446.485 0.682 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 764344957 MMEZBIYNUKPPGC-KRWDZBQOSA-N 438.444 0.157 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(F)c1 764387340 KBKWFIAYHGEVHS-UHFFFAOYSA-N 428.355 0.854 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cccc21 764424299 HRYGPXNCKASOLQ-OAHLLOKOSA-N 434.449 0.486 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1nnc(O)c2ccccc12 764544776 MRVSDJPKWPJHLI-UHFFFAOYSA-N 449.471 0.620 50 20 ICGD C[S@@](=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765735067 HFRCDXMQEGRCBX-SSEXGKCCSA-N 428.514 0.643 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 768260841 GSEYPZZTMKJKFL-UHFFFAOYSA-N 435.458 0.426 50 20 ICGD Cn1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2cccs2)n1 769586024 RFXWDVDLYXMCSK-UHFFFAOYSA-N 426.462 0.046 50 20 ICGD CCOC(=O)c1cnc(C)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 775057545 ULPHWIYUXYKXBB-KRWDZBQOSA-N 443.412 0.711 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782758122 DFQXEGHLQIKZNS-UHFFFAOYSA-N 444.517 0.897 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)cc1 783416826 BPMHJPVYSSKBEJ-UHFFFAOYSA-N 435.462 0.968 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1c[nH]nc1-c1ccccn1 784210564 VPYICWSDHKAITC-UHFFFAOYSA-N 441.473 0.994 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 784833309 MWSKYUAAFAZYHY-UHFFFAOYSA-N 435.506 0.852 50 20 ICGD CN(C)c1nccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 784969161 IXRIEWJJCYXJHV-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CC1 785061045 RMCFNOIUUSNCHR-UHFFFAOYSA-N 449.515 0.805 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785068646 YTFXKPNQZAYFNH-UHFFFAOYSA-N 438.444 0.861 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cncc(C(=O)OC)c2)c2ccccc2c1=O 788478946 WGCRWYHSTIRIGC-UHFFFAOYSA-N 445.457 0.611 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 789046694 TUNXCMDSRHIGRK-UHFFFAOYSA-N 440.464 0.314 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc12 792855360 RPFHUBQFJJPKPO-RYUDHWBXSA-N 427.552 0.554 50 20 ICGD CCn1ncc(NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c1C(F)(F)F 799261484 GAXWOPLVDQJHJB-UHFFFAOYSA-N 430.299 0.935 50 20 ICGD CCCNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801140332 JIJQEGSFLLMVRF-UHFFFAOYSA-N 429.474 0.033 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)n1 806371426 JHNGGZLMZAHRAX-UHFFFAOYSA-N 430.874 0.631 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc(F)cc1Br 810172567 KMPMMWNAQGNBGE-UHFFFAOYSA-N 431.243 0.723 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1cc(F)ccc1Br 810344665 BATNGVAOQLYPOM-UHFFFAOYSA-N 431.243 0.723 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810942515 MZEXWCVYIAILQI-UHFFFAOYSA-N 436.490 0.790 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccccc2c1=O 814215705 ULHMMMXFVDVCMR-UHFFFAOYSA-N 434.412 0.173 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 815691047 DEKCWRVKSYQPKN-CYBMUJFWSA-N 442.867 0.525 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1C(=O)OC(C)(C)C 815692386 PWVVGAITRCJNMD-ZDUSSCGKSA-N 442.476 0.890 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 913055068 CHMCXJJJQNNHAZ-UHFFFAOYSA-N 445.457 0.335 50 20 ICGD C=CCCO[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 921146362 VLYLNPSVIIXSFL-INIZCTEOSA-N 439.534 0.769 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 1115818936 RCBHJLBCOYWRAF-UHFFFAOYSA-N 435.458 0.611 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC 1317707616 RWFUNBUXBYRQPB-OAQYLSRUSA-N 426.429 0.932 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 1320119605 DRUXUUIFTKOQDP-CYBMUJFWSA-N 447.558 0.245 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1779035007 ZLDMUPZZWZJOPI-XLNZFTOWSA-N 449.511 0.932 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1782672753 LDJMFBLDSQJSHU-KPZWWZAWSA-N 429.304 0.834 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ncc1[N+](=O)[O-] 1783934787 MBUJUSXRLREAFC-HXUWFJFHSA-N 448.480 0.115 50 20 ICGD CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1786474736 IGCIECNSFDWTKO-VGWMRTNUSA-N 446.976 0.660 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789870483 JGRHDBQAWLQLKP-LLLAAFKUSA-N 437.368 0.910 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1795112763 OOAFAPWCDQBZCL-DRXBFXEBSA-N 440.294 0.841 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796428721 IPGOSTXWLALQAC-ZNSALQAWSA-N 447.355 0.162 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cccnc2n1 1797359750 OVPWCTZJVHZFKJ-CWPLJXCYSA-N 440.504 0.206 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680223 HNRXQKFGGKIOCV-HCZIRCDUSA-N 433.933 0.827 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1800168062 SWNHMVNLVKADOV-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD Cc1cc(F)cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012161 JQPYHVHSBDXCEZ-FAQVEIGNSA-N 434.512 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1F)C2 1801012630 CVRLJRNOXWHTDJ-USGNIVHTSA-N 436.484 0.167 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802969287 CHPSILWUALOVMX-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)c1 1805951022 KRPWOBWVKSVZJY-KXBFYZLASA-N 448.487 0.447 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371201 QZCVRFJDFHRXJI-PXNSSMCTSA-N 425.294 0.242 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807679259 GAUHMBZYNWGYKO-VFTHGPRRSA-N 439.354 0.841 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C(F)(F)Cl)[C@@H]1c1cccnc1 1813212292 UVWMABDZMBNWOP-HOCLYGCPSA-N 437.639 0.913 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813534351 NGUZAPSBQIGQBX-RXVVDRJESA-N 425.294 0.508 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2ncc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817479191 JJSZKVRRTDSAEN-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc2n(n1)CCCNC2=O 1818974467 QVWAJJJOXSAEEX-UKRRQHHQSA-N 449.899 0.645 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822371342 TXZFVPNIWFIPIX-ZFWWWQNUSA-N 449.899 0.968 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413951 JEPPFUSYHOUBMU-TZMCWYRMSA-N 436.517 0.222 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1 1826358194 JXRAMODAKGSFRK-MOKVOYLWSA-N 437.566 0.979 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1829627843 JFQQHGANXUYEMF-NQIIRXRSSA-N 435.908 0.547 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccoc3C1)CCO2 1830927200 OIGAMGDLIVUXEX-QINHECLXSA-N 426.897 0.441 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1832294181 VQAIYYGOXFRTKN-ROUUACIJSA-N 438.352 0.548 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1)[C@@H](O)CCl 1833313701 OJKUPYVEPWZEAU-HNNXBMFYSA-N 427.889 0.708 50 20 ICGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1)C(=O)O 1834421919 VCUUFHDOIWYQSB-OAHLLOKOSA-N 447.374 0.406 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819241 LRPHSIRNYVANMR-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1834819371 PACICWFVJFWJSA-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1834822446 NPDZLXCHTYJOIN-SFHVURJKSA-N 426.311 0.866 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1Cl 1834823483 WVVYBXMDJZRTJT-INIZCTEOSA-N 449.733 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835084052 IRGGTTTZBBRSSJ-MRXNPFEDSA-N 440.907 0.405 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835629073 NPWIMASAIVVYDZ-QLJPJBMISA-N 431.287 0.419 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncccc3F)CC2)CC1 1836024900 XSOJXYLOIYZAMV-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097526 QWYYMMMARYNSRM-ACJLOTCBSA-N 441.326 0.683 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cocn3)CC2)CC1 1837565112 DHPNYYUMNCNLPY-UHFFFAOYSA-N 442.476 0.599 50 20 ICGD O=C(COCCO)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1838646815 JTNFNTXHMPPNIM-OAHLLOKOSA-N 425.295 0.684 50 20 ICGD CCOc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838883453 GFKATVJEMZXEKX-OXJNMPFZSA-N 426.897 0.755 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839143223 PMIMQNIPAKECFD-KZULUSFZSA-N 426.857 0.262 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150924 CHBMIHGDCYLCPM-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839909881 KNAKDGKIMNNWKP-OXQOHEQNSA-N 426.897 0.645 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1839963669 RJBUQMDWGSXOOP-GUYCJALGSA-N 435.315 0.570 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036049 NCAIFZWLQWCXSC-YEWWUXTCSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1840155611 FOTAWBVZGUQORE-FTRWYGJKSA-N 441.912 0.559 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842058459 MRNSXNLNQKJNCJ-BXKDBHETSA-N 443.273 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(O)cc2O)C1 1845286961 VXZKJMCMZXWWKV-UHFFFAOYSA-N 445.863 0.881 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)c([N+](=O)[O-])c1 1845535424 BJRRWNAMMGJIEM-AWEZNQCLSA-N 425.825 0.798 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 16056917 AKUGSGYALSHOKH-UHFFFAOYSA-N 444.517 0.620 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1=O 17411533 DWRNHQWGKXKBRS-UHFFFAOYSA-N 434.456 0.460 50 20 ICGD O=C(CN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1)Nc1ccccc1 23391360 BYZVAQCTIMYVRO-UHFFFAOYSA-N 449.475 0.273 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710664 MMVKPUGBLLSDNR-UHFFFAOYSA-N 441.492 0.097 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)OCO4)cnc21 727098594 DMTQNGUFEODRAW-UHFFFAOYSA-N 449.221 0.082 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728980840 IHCWANXVIHXRQM-UHFFFAOYSA-N 426.477 0.669 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1 729230326 LPEXWMWENIRCEC-UHFFFAOYSA-N 428.468 0.996 50 20 ICGD CN1CCN(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1 731864687 CSVGLWNHYUBREZ-UHFFFAOYSA-N 434.504 0.397 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1OC 732238063 QTKUWCYFNIYHHJ-CQSZACIVSA-N 444.510 0.136 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734825023 QRCBYFGEYPIENO-UHFFFAOYSA-N 447.496 0.603 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCOCCS(C)(=O)=O)cc1Cl 743636365 FURCXMJZAOCUOU-UHFFFAOYSA-N 438.890 0.754 50 20 ICGD NC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCC1 747889781 BKKIKJODXYPETO-UHFFFAOYSA-N 430.486 0.582 50 20 ICGD NS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747980043 POVGMXVCWIRGTL-SFHVURJKSA-N 431.518 0.232 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NNC(=O)Cc2cccnc2)c1 752005691 CZBZQXZBXXBFQV-UHFFFAOYSA-N 426.437 0.490 50 20 ICGD Cn1cc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 755493456 OSFJTAQLLUQDRK-UHFFFAOYSA-N 436.494 0.227 50 20 ICGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 756395769 ZLXNOAOYAUZIGF-UHFFFAOYSA-N 427.417 0.530 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNc1ccc(C(N)=O)nn1 757408306 RCVFVSVAIBAVMR-ZDUSSCGKSA-N 431.478 0.316 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 760451715 VWLWLCDABISSJB-UHFFFAOYSA-N 437.409 0.382 50 20 ICGD O=C(COC(=O)c1cccc(OCC(F)F)n1)NNC(=O)[C@@H]1COc2ccccc2O1 760598786 KJTRONJWIRFCOJ-AWEZNQCLSA-N 437.355 0.870 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763446719 WHRZQNHLUWGEEP-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1 763557223 FDMYSUCIROIEDI-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD COc1ccncc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763796387 BENYXYUURNEPSG-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OCCC 763995824 ACOTXHPNWAOZGB-CYBMUJFWSA-N 441.506 0.785 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 764047524 GLIMDHFCJXKWBB-UHFFFAOYSA-N 425.489 0.842 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764152833 GTRUIJSIDCVVHG-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1OC 764183323 WSJSRXRPSQSCHA-UHFFFAOYSA-N 445.457 0.728 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(Br)cc1F 764297320 OGCTUAHOEVKAEU-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764343496 VKLSQJBKQPSQNP-UHFFFAOYSA-N 425.474 0.515 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc2ncccc12 765436478 FNSNKXIXMODVPY-UHFFFAOYSA-N 433.472 0.915 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CS(=O)(=O)C3CCCC3)CC2)cc1 765756267 SHZOTWROQMYDAD-UHFFFAOYSA-N 436.578 0.617 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2ncnc3ccsc23)c1 766676928 UDBNKRQHVPVTFI-UHFFFAOYSA-N 434.503 0.932 50 20 ICGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 770756772 BXZVXYGITYBZNQ-QMMMGPOBSA-N 425.330 0.879 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778527589 DWPNGOSOZOCSKU-UHFFFAOYSA-N 432.506 0.649 50 20 ICGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 783302716 AAHAEDNPDRCCHO-UHFFFAOYSA-N 446.551 0.262 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCS(=O)(=O)C1 783423871 BBFQHXBDGODMEZ-LBPRGKRZSA-N 425.692 0.634 50 20 ICGD CN(C)N(C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 792854281 IQMMIAQVLFLNJB-GOSISDBHSA-N 438.550 0.433 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 795393211 MKXJJMXKKHEOQO-SECBINFHSA-N 436.284 0.217 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 797368926 JGNNRZZURPWVNK-UHFFFAOYSA-N 441.444 0.367 50 20 ICGD Cc1ccc([C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](C)S(C)(=O)=O)cc1 798059334 JGDFAEZDYDOJPD-GUYCJALGSA-N 436.490 0.823 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc2nccnc2c1Br 807003995 CXGQDZWUNOBPEX-UHFFFAOYSA-N 435.238 0.101 50 20 ICGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 808088988 NZMZIEHMMHONDT-UHFFFAOYSA-N 446.533 0.795 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 809985725 SUXWZSWHGVZNQK-INIZCTEOSA-N 439.476 0.836 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)c2cc(S(N)(=O)=O)cn2C)c1 818757563 ZYQINFGXSAQKQK-UHFFFAOYSA-N 431.268 0.979 50 20 ICGD O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CC[C@H](B(O)O)C1 864232629 ASTRPFLWIPCGMW-AWEZNQCLSA-N 432.263 0.948 50 20 ICGD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1261222354 GEJBNWQPFVNIOM-ZDUSSCGKSA-N 439.563 0.935 50 20 ICGD Cc1cc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2[nH]1 1777870265 OQQZFOGSFQCITD-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373453 SYEPZEMLVMTUSR-VGOFRKELSA-N 446.552 0.201 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779467911 DGQFWOSMGVHOOO-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782218171 ZUKFWFKNEKLFLW-FZKQIMNGSA-N 444.319 0.616 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 1783600184 SDJIIDINSFIZIY-JOCHJYFZSA-N 434.512 0.961 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1785178888 SAYBDKZEGVRRTH-RDTXWAMCSA-N 427.841 0.647 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510457 KYSCPXGTIQSSNG-GHPQCZBBSA-N 440.880 0.900 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C[C@@H]21)c1cccc(B(O)O)c1 1786985289 ZMDBBZDDFLDIKY-KBBJJIJMSA-N 440.349 0.786 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788190603 KRXHXUJJMAMIMS-QZWWFDLISA-N 445.402 0.245 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]3C2)CC1 1789866896 ZJPACWAPVVIJNZ-OGNFBWPZSA-N 449.423 0.840 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3cc(CO)on3)cc2)CCC1)c1ccc(B(O)O)cc1 1790172979 XXLJDDPCQMFNAA-UHFFFAOYSA-N 435.245 0.908 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791301849 QMDXPCOBLGVHAK-RVMXOQNASA-N 437.356 0.957 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(C)(C)O 1795365406 JQENEPNWBADHON-HBCWATKFSA-N 449.460 0.884 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nccc2nc[nH]c12 1796239011 FBNNOFCZSNFXKO-VKZHRDFRSA-N 426.246 0.852 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(C)cn1)C2 1796892119 JCRZKQOGZNZELO-GSWMANSFSA-N 425.493 0.964 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2 1797750847 SGOLSSNEMNXNDZ-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800156685 DPZHKAKJAREUKT-RMPHRYRLSA-N 428.324 0.643 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1800639065 GYWWJGFMYPZFRA-ZWUHOBOKSA-N 426.311 0.762 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)C(Cl)Cl 1801017337 NGEPJBQAAQKSGA-PTEHBNRSSA-N 447.344 0.285 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804086842 BUJANNSOVXMIHU-WMLDXEAASA-N 435.912 0.904 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1804331797 YJYYKABLAJSXME-UZLBHIALSA-N 441.488 0.936 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1804626395 NFDVMTIURATASJ-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813272557 ZQVVEQDPVSLQQN-GCJKJVERSA-N 447.304 0.437 50 20 ICGD Nc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cs1 1817384844 LNSHOJSZNPQSJK-OAHLLOKOSA-N 440.294 0.748 50 20 ICGD O=C(CCBr)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819880137 JVFHPEDZXITFFH-BONVTDFDSA-N 447.355 0.491 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cnnn1 1822416815 QGORDLXDIJCFBG-JSGCOSHPSA-N 432.489 0.023 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1ccnn1 1822416876 RXCDKUBUXOITBK-DZGCQCFKSA-N 431.501 0.628 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824529677 LKJNYRLTLRLZTG-FQEVSTJZSA-N 443.353 0.514 50 20 ICGD Cc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c1F 1826080554 QJFJDOKDLRJBDN-JTQLQIEISA-N 437.501 0.913 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826782331 XWRBXKQJTAYRNI-QGZVFWFLSA-N 432.355 0.226 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831877375 PVBATQGWNNQIAP-SJKOYZFVSA-N 429.315 0.582 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1)n1cnnn1 1834423505 NFZPOJWGHANNBP-CYBMUJFWSA-N 442.362 0.591 50 20 ICGD CN1CCN(C2(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](F)Cl)CC4)CC3)CC2)CC1 1835082141 SINYSXXDRSQKFM-GOSISDBHSA-N 443.995 0.872 50 20 ICGD O=C(Cc1ccccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836191311 JQDMQVQHYFUBNG-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)C 1837224445 QYRVKTXXEUTAJW-CXAGYDPISA-N 425.309 0.834 50 20 ICGD Cn1cccc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837389281 QJTYDXBOCXIBLE-UHFFFAOYSA-N 439.321 0.631 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837712180 HLQGZYUYEBTZSU-GHOSXJJBSA-N 428.558 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838674599 NLEXBZZNIBNKQF-HNAYVOBHSA-N 427.885 0.419 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198144 VPGULMBOXBMCDO-CKEIUWERSA-N 447.305 0.666 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1839960516 LFEUUYDNXZCHOF-WFXMLNOXSA-N 440.924 0.300 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840151793 NPDKGRYSXFSCHN-HNAYVOBHSA-N 428.917 0.535 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840153011 AXBPGJCGVCQDAN-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C(=O)Nc1cccnc1)C2 1843416151 GFHMCUOBNBANIY-AFUMVMLFSA-N 437.460 0.358 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845870825 GRBKUXOYZDMJEC-LEHPZIBWSA-N 431.443 0.668 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O 18945188 SEGBCBICXGRMKZ-UHFFFAOYSA-N 449.345 0.896 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCSc2nnnn2C)c1 108420055 VGTFCEURORXWFW-UHFFFAOYSA-N 441.539 0.184 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110888328 QFFZODYHWZJOSY-UHFFFAOYSA-N 430.494 0.450 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 726614538 SDEMCWJABRKVDI-UHFFFAOYSA-N 444.819 0.309 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CCCc1ccccc1 727717334 LMEPWDJZACRIDH-UHFFFAOYSA-N 434.518 0.830 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCCN1C(=O)CNC1=O 731046701 XREXIHXCDKWSLM-UHFFFAOYSA-N 428.243 0.100 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc(OC)c1OC 731594987 RGOFFNGRTWCZLS-UHFFFAOYSA-N 435.414 0.219 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 740043932 NQTLMHOXHVIGKK-GFCCVEGCSA-N 438.824 0.498 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(I)cc1 740813114 SYPAUTCGGLKQAS-UHFFFAOYSA-N 439.275 0.906 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCOCC3)CC2)cc1 745992723 IVFCDENAOAFEGS-UHFFFAOYSA-N 426.495 0.169 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)c1 747345150 JIYOAACNDVMBDR-UHFFFAOYSA-N 440.342 0.805 50 20 ICGD COc1ccc(Br)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 747763531 NTKIWRWBZVBUKW-UHFFFAOYSA-N 449.265 0.355 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc(-c3ccco3)nc12 748275732 FIJKGHDRZRMFLE-INIZCTEOSA-N 432.396 0.853 50 20 ICGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 749446796 BPPUZRAJPQVPEQ-CYBMUJFWSA-N 439.436 0.004 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1Br 753066704 QNMJBKUCUICETL-LLVKDONJSA-N 449.327 0.826 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C(C)C 753841785 UUDMRMOJJUJFGT-CYBMUJFWSA-N 427.527 0.573 50 20 ICGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)s1 757754004 AASDKRCMDXYQNZ-UHFFFAOYSA-N 431.434 0.357 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC2=O)c1 758840841 RMQPLVNBUYYTPC-GFCCVEGCSA-N 427.417 0.238 50 20 ICGD O=C(CN1CC[C@H](N2CC(=O)Nc3ccccc32)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 759895808 IAWAOMCBLDOGDU-INIZCTEOSA-N 438.444 0.889 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCSC1 761836451 TXOOJQYDMQBBIR-OAHLLOKOSA-N 427.548 0.541 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)C(C)(C)c1ccccc1 763044742 OJIVWQMMBYIMJH-ZDUSSCGKSA-N 432.502 0.578 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763681755 MYBGZMPDJTXKAB-UHFFFAOYSA-N 448.432 0.407 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 763771714 KMKICOWAOPSQDJ-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763858823 XNZJKVNKBGAXJZ-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1 763862477 XPNHPLAGIVHJHA-GFCCVEGCSA-N 446.464 0.503 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 764086888 VOQHIRLKONVFIO-UHFFFAOYSA-N 434.474 0.920 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cccc1C(=O)N1CCc2sccc2C1 764202860 CBLOOCZRGXHPSO-UHFFFAOYSA-N 443.529 0.903 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cn2)C[C@@H](C)O1 764275292 LRISWPYPCNMJQH-ZIAGYGMSSA-N 443.460 0.566 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC 764401923 ZMSPPOZLWJZKPL-JTQLQIEISA-N 432.271 0.904 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCC1(N2CCOCC2)CC1 765640120 DCMNJAPWSVDSTG-UHFFFAOYSA-N 430.553 0.394 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1nc(S(C)(=O)=O)n2ccccc12 767307332 UVDKQAUMVSBZQM-UHFFFAOYSA-N 444.469 0.593 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)NC(=O)NC1=O 772884782 PAGSKWBPGLMJAO-HXUWFJFHSA-N 443.847 0.472 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 773250597 HDMOBXCHKAKELV-GFCCVEGCSA-N 434.902 0.747 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCS1(=O)=O 773419067 LWRSFLVBRGGUQN-GJZGRUSLSA-N 446.570 0.841 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3c(F)cccc3F)cn2)C[C@H](C)O1 773707111 FFKQWTJFYFLPND-RYUDHWBXSA-N 436.419 0.879 50 20 ICGD CC(C)(C)OC(=O)NCc1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 786824370 VJIQIUYMLRITER-CQSZACIVSA-N 426.495 0.842 50 20 ICGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 788262864 ZWYKVEQBDPSDNQ-UHFFFAOYSA-N 445.505 0.548 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNc1nnc(-c2ccccn2)s1 788566445 GUVJWKBMKSVSQY-UHFFFAOYSA-N 439.505 0.962 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1cncc(F)c1 799257463 LEZKQYYQYXPTCK-UHFFFAOYSA-N 449.464 0.795 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 808011357 UHFKDFMTYYUEPA-NSHDSACASA-N 446.464 0.442 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 812730821 YENUVQVSWJESAX-UHFFFAOYSA-N 437.503 0.230 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1C(F)(F)F 815691096 FGNRSXXMTKFPCR-SECBINFHSA-N 426.355 0.654 50 20 ICGD O=C(COC(=O)Cn1cccc(C(F)(F)F)c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 907462066 XJNJUQDVDSDZPQ-UHFFFAOYSA-N 442.306 0.780 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)N2CCCCC2)cc1 918122116 WMKHPSDUKUXXTP-INIZCTEOSA-N 425.555 0.820 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 918686759 ITHWPAVAUQITMI-UHFFFAOYSA-N 428.470 0.876 50 20 ICGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1ccc(Br)cc1 1323948187 FQQKRYXHBGEDCW-UHFFFAOYSA-N 428.330 0.295 50 20 ICGD O=C(NNc1cccnn1)[C@@H]1CC[C@H](C(=O)NNc2cccnn2)N1Cc1ccccc1 1330128794 VHNDLSFVDCYTLO-CALCHBBNSA-N 433.476 0.886 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCO1)C2 1778090850 CYCYEJSEKVATJF-NTXWZOLCSA-N 445.520 0.813 50 20 ICGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778232973 MDMDJZCNCKXYGQ-GPMSIDNRSA-N 428.917 0.257 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937806 HYENUEOOXJNQRN-AUUYWEPGSA-N 440.953 0.739 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783531862 DMDXWFCAQYZSOI-MGPLVRAMSA-N 427.255 0.402 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938101 UEBFWDDZHBGYFK-QFIPXVFZSA-N 434.512 0.880 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784811407 GPJATNJJBNATIG-AJNGGQMLSA-N 447.960 0.869 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784911673 FILOKMZLSLWHOO-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)c3)[C@H]2C1 1785856193 UASAIDICCCYQDK-QECDCCOMSA-N 440.504 0.752 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788630560 UTKANBJDEGQLOC-CWVYHPPDSA-N 425.917 0.511 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1789868941 UGKRYOLIODYTPQ-XBPIAWKYSA-N 432.304 0.915 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1789873183 QCQANCGGENOPRV-WFGGJUAMSA-N 429.366 0.637 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790176531 XLCNJZYRACRZCY-YGJAXBLXSA-N 433.933 0.827 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791064997 OIWBPQMGUSJENO-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CNC3=O)CCC2)cc1 1791599400 FXFKVISHDXEPGE-UHFFFAOYSA-N 444.492 0.045 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791644930 AXIROVZZWOEBSI-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD CCOc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792385114 SXSLYXNSUMNCNY-JLVBRIDZSA-N 444.318 0.344 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncn1-c1ccncc1 1794796369 DPMCPLFKRDGEIJ-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797812169 YVULJRJHNDAENP-SSPIMUCQSA-N 432.315 0.890 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS[C@@H]1CCCCO1)c1ccc(B(O)O)cc1 1798480004 NDLSBSMVAIUQPN-AJYBTWMASA-N 432.351 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2 1801010573 HVLSPTPVQGQWFV-USGNIVHTSA-N 435.500 0.116 50 20 ICGD CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)COC1 1802669550 SNCZQQKTVGYANR-MAUKXSAKSA-N 438.488 0.436 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804501899 ZFRTXZPJKGKBSK-SIKLNZKXSA-N 447.304 0.437 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364614 SVZVSLFFFMJCPC-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD COc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n(C)n1 1807525633 QQHLBMDXQPZXBZ-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CCN3CCOCC3)C2)CC1 1809589325 HDLCKNHSKKXROR-UHFFFAOYSA-N 437.585 0.313 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813068302 REKLZHDEFKMPCA-QIJLZVCCSA-N 441.912 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1 1813069797 CRMVSFWIQLBWJO-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1 1813074552 UIOZHGDQJHTNAO-UEXGIBASSA-N 431.537 0.887 50 20 ICGD Cn1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815347906 XANIYOCSSLMQRY-HNNXBMFYSA-N 439.306 0.025 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817359039 MBABOVGPHOJEPC-ZDSQKVDBSA-N 433.282 0.685 50 20 ICGD Cc1cnoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797496 CWYQEQNSXNYWOP-JTQLQIEISA-N 441.473 0.978 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825646491 CSETYAZBQRYKKT-HTQZYQBOSA-N 447.311 0.382 50 20 ICGD CC(=O)c1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n[nH]1 1826080399 IKMAZOGDTULKMZ-NSHDSACASA-N 447.521 0.668 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731058 HKFZTMTXBBHDMH-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830968040 FNYIOXLZTMQZRQ-CXAGYDPISA-N 427.299 0.259 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCOCC2)CC1 1831870713 CKHADRQHLYNLAR-LJQANCHMSA-N 437.585 0.311 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832417208 IEONXKYBCKMNJX-NRFANRHFSA-N 429.370 0.940 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833178119 ARMCLDDRIRELHH-DNVCBOLYSA-N 446.331 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)[C@@H](O)CCl 1833312545 QYWGPLAHVHIUJZ-FWVVFLIFSA-N 444.960 0.687 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513608 CQMULSMIFPSYRT-RISCZKNCSA-N 431.331 0.450 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)nc1 1833600445 ZYRHQPJNVUHGRD-WMLDXEAASA-N 449.888 0.090 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597201 WZLYBFRLHXMSJM-QZTJIDSGSA-N 433.288 0.946 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834822546 URLRGAMSQPMMRM-QGZVFWFLSA-N 444.282 0.348 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703420 QNMZACPYMFUATL-CQSZACIVSA-N 442.358 0.607 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565378 VAGIJEQILAAXLG-BLINCGSOSA-N 427.885 0.409 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838827579 WAGYKDJTGOEESZ-SWLSCSKDSA-N 449.233 0.683 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839395537 VMLOLROOWOKNJY-NQIIRXRSSA-N 448.907 0.746 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839967519 PCGWHYLFKILNSZ-UWOMVZDOSA-N 433.299 0.647 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840153382 MMPGJKCXYBEHTC-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408221 MPJOMTCDERQPAI-DNVCBOLYSA-N 426.901 0.719 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897330 WRUDLMWHTWUHDS-PXAZEXFGSA-N 449.982 0.321 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012258 UNLZAXHWFJQEFP-UHFFFAOYSA-N 432.245 0.146 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc2NC1=O 1844728608 KXOFWQZDLSBCHF-AWEZNQCLSA-N 449.272 0.217 50 20 ICGD CCOCCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039505 WFAPKMPFYNALBK-UHFFFAOYSA-N 431.537 0.963 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccnc1Cl 1848136283 NLGDJLKFUUYORY-HOTGVXAUSA-N 428.880 0.792 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 9889206 AILQQMKQJUIDDY-HBIYDYFMSA-N 440.547 0.124 50 20 ICGD COc1cc(C(=O)NNC(=S)NCCc2cccs2)cc(OC)c1OCC(N)=O 11523244 JGIZLQKDJVJWPJ-UHFFFAOYSA-N 438.531 0.981 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c1 23686746 MPKQAAMLBWTPND-UHFFFAOYSA-N 425.488 0.415 50 20 ICGD COCCCNC(=S)N(C)NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 726076047 SNBWFUNZOCWIFZ-MJBXVCDLSA-N 430.596 0.767 50 20 ICGD COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729276122 XISHWNBSQHHHPY-LBPRGKRZSA-N 434.474 0.646 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 730066378 JDABRIJGDXSGCG-UHFFFAOYSA-N 435.458 0.884 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC 732815510 WFZQBJQMRYUIFB-LBPRGKRZSA-N 432.399 0.560 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccccc1O 735517899 GTPJBBKIWAZFMZ-MRXNPFEDSA-N 428.493 0.707 50 20 ICGD C[C@]1(NNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCS(=O)(=O)C1 735583769 DVUUSZQYGUZUPF-SFHVURJKSA-N 444.579 0.362 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)nc2c1c(=O)n(C)c(=O)n2C 737778191 HKCQIEFRCFUVMS-UHFFFAOYSA-N 435.238 0.106 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)o1 742247311 XODNAJKDSMFFEM-RYECPLHJSA-N 432.477 0.433 50 20 ICGD CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 742470978 ZEUKWVFILATABK-CXAGYDPISA-N 448.501 0.967 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742480667 MLPSYYKCKRUKII-LTDCPUDJSA-N 445.472 0.798 50 20 ICGD CN(C)C(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 746012469 CJRIZTZRYBIEJV-UHFFFAOYSA-N 435.300 0.386 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cc2c(s1)CCCCC2 748112395 YIOOHEVUQJXPMR-UHFFFAOYSA-N 430.552 0.623 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 751211384 RBBDUHWMNUJJNU-HXUWFJFHSA-N 441.469 0.019 50 20 ICGD O=C(CC1CCCC1)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 751282179 ZFTSBGJTTNCRKF-UHFFFAOYSA-N 436.534 0.929 50 20 ICGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)sc2n1 758311449 ZGKPDZUECQADGZ-SECBINFHSA-N 428.492 0.350 50 20 ICGD COC(=O)c1ccccc1CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 758911411 AWWCLBDZNAMTNY-SFHVURJKSA-N 442.424 0.936 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1SCCS1 761134811 BOEYMVITIKLHPQ-UHFFFAOYSA-N 445.588 0.594 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)C 763549239 VIRQCYARJHYTAX-UHFFFAOYSA-N 448.457 0.374 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)cc1F 763571123 HKWFXQKLWZRXIT-MRXNPFEDSA-N 434.355 0.849 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 763662815 ABCNNRPPPYAXTR-UHFFFAOYSA-N 444.444 0.327 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 763841276 PSWRGEGXRRUADX-CQSZACIVSA-N 430.465 0.108 50 20 ICGD O=C1CCc2ccc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2N1 763949066 MZXQLMFKHNECGP-UHFFFAOYSA-N 434.412 0.862 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 764030518 AVBFODVBDASNHW-UHFFFAOYSA-N 442.881 0.973 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC 764136060 MXSGBRODYIDVLY-UHFFFAOYSA-N 426.429 0.921 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1 764141833 FPOPJWBLZQWWMU-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1 764242497 TZHQEFIQPZVOLV-UHFFFAOYSA-N 426.385 0.762 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 764275647 PKQQXOFKWFGSLW-UHFFFAOYSA-N 428.323 0.893 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764565210 ZMPZEDBONPRJKL-OLZOCXBDSA-N 434.449 0.979 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 772003566 KIKZTKWLJCLFJB-CHWSQXEVSA-N 429.495 0.085 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCC(N)=O 772191968 HUOWIXLIULGMSY-UHFFFAOYSA-N 434.836 0.290 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCNC(=O)c1cccnc1 772218972 AGEAXVZJOSWPRH-UHFFFAOYSA-N 432.506 0.654 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772697422 LJDNBMOQNJYULQ-UHFFFAOYSA-N 437.501 0.411 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cn1C 772952231 GSXRDGRKIAJQNH-LLVKDONJSA-N 443.913 0.665 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1COC2(CCOCC2)O1 777760048 QQQISSFEECJEMZ-LJQANCHMSA-N 447.536 0.451 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)cc1O 780378018 WEDRRMWDQVVEQG-UHFFFAOYSA-N 433.895 0.919 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 782896174 BWFKFGBCVOLABK-UHFFFAOYSA-N 446.533 0.749 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 784002494 QRMRBCXCLJJTRH-UHFFFAOYSA-N 437.412 0.006 50 20 ICGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793447596 MQILSBJCIRTUDW-CYBMUJFWSA-N 437.478 0.173 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Br)cnc1OCC1CC1 794823987 OIARHCGTSZEYQY-SNVBAGLBSA-N 432.296 0.829 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCCC(=O)NS(C)(=O)=O)N(C)c2ccccc21 800553378 OERKBYDRXHVQBE-UHFFFAOYSA-N 433.490 0.239 50 20 ICGD CCOC(=O)c1cnn(C2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1C 805043965 AANOVCQHODIODU-UHFFFAOYSA-N 446.464 0.769 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc3ncccc23)cn1C 808089536 VOSDFDSKSNLFET-UHFFFAOYSA-N 430.442 0.942 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c(O)c1 810386902 WQQMMRWPTHMUID-UHFFFAOYSA-N 436.371 0.843 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc3ccccc3n2C)c1 816578448 CCNCXSYIDJIKEH-UHFFFAOYSA-N 430.490 0.697 50 20 ICGD CC(=O)NCC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 913419214 FUCPELITZCUFGW-UHFFFAOYSA-N 432.502 0.713 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)o1 915059906 FDMPMDFJIREYJM-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)S(C)(=O)=O 916147776 COKWOXNBGIPJGP-CYBMUJFWSA-N 428.474 0.583 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(C(N)=O)c2)c1 916480376 WTYHKHBRTYHQMA-UHFFFAOYSA-N 447.517 0.960 50 20 ICGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CN1CCCC1 918221547 WXZCRQGGVSGXRA-MRXNPFEDSA-N 439.586 0.376 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918783207 VPWUCDMUKPEBSD-SNVBAGLBSA-N 435.380 0.724 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 920010792 NJBLAIQCNCHVJX-UHFFFAOYSA-N 426.385 0.980 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 920384224 JNYWEXFFCZHVTH-CYBMUJFWSA-N 440.503 0.675 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1occc1CS(=O)(=O)c1ccccc1 1317733439 DFESLSNETSSMEP-CYBMUJFWSA-N 426.472 0.449 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 1342420401 FHOUGEAHNBGPCL-SSDOTTSWSA-N 428.692 0.566 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830789 JEUQJLPTMMJJOT-IRXDYDNUSA-N 427.292 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CN)C2 1778091503 SKKHUGAASNBCPG-FWCRZDEZSA-N 432.525 0.229 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779550738 UENFDIWIIZGLHJ-VSIOZEBNSA-N 443.460 0.349 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557616 OSBABIMUJDSOMO-DJJJIMSYSA-N 443.884 0.036 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786984760 GFCRMEJAUSGSIT-JQFCIGGWSA-N 432.669 0.520 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(C)C)C[C@@H]21 1787507158 LNJSRRFAICEXFK-VYOPWZLOSA-N 433.509 0.525 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1791237042 GOVZNXJNYHCJHU-XDKXFUCDSA-N 430.929 0.545 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298130 CUDWOSSVFVPYRV-MNXVOIDGSA-N 444.319 0.378 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791516963 NAGHLCKXRIOXHI-AJNGGQMLSA-N 428.331 0.679 50 20 ICGD COC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1791571584 HMEMNGOOMVXEAL-KRWDZBQOSA-N 427.929 0.661 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1794144066 IARHLVRLLADFBQ-CRWXNKLISA-N 427.885 0.845 50 20 ICGD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1794577956 HFRPPZYVXXOLRV-FMSGJZPZSA-N 429.315 0.663 50 20 ICGD Cc1scc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1C 1794954724 YLHWLXBJPDPCRJ-HGKCTWBKSA-N 428.319 0.562 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C)n1)C2 1796441322 YNNOJHFNXBLARI-LLJCUJCISA-N 438.488 0.727 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc2cnccc12)c1ccc(B(O)O)cc1 1799141209 BPNGSORHVSUOAO-REPLKXPHSA-N 430.273 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2 1801013249 YPDNEAZOTWSHAM-FEJSZKPUSA-N 444.532 0.127 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1810783916 ZORKMUDISSOJAP-LSDHHAIUSA-N 447.960 0.703 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1812864738 PGDBZNFCCNXTNW-NJZAAPMLSA-N 432.340 0.915 50 20 ICGD COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1814316025 UKIAECLICSNBPW-LBPRGKRZSA-N 427.527 0.091 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cccc(O)n1 1816457990 LMQBEIBQUGXZBJ-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1 1819402748 JQPLBMBQSUHJDT-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050326 MQRDLENXULTBQC-RTWAWAEBSA-N 427.354 0.694 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052505 LSSCBLGESMKZMD-UXHICEINSA-N 441.337 0.221 50 20 ICGD O=C(c1csnn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055812 KPSPRUUOOPACEY-GOSISDBHSA-N 428.323 0.765 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)no1 1828987182 PHQWIROFDFGZCD-SJORKVTESA-N 440.928 0.932 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccoc4C3)C2)C1 1830719739 JFZZZHZQELNYIS-YRNRMSPPSA-N 426.897 0.441 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719826 LTSQWSKLYBYNSU-RXVVDRJESA-N 435.908 0.547 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831653911 GOOGQTSUYABHQF-LQWHRVPQSA-N 445.004 0.486 50 20 ICGD Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)nc2s1 1832104117 INWGUVBCPKSGDS-PBHICJAKSA-N 445.904 0.633 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837330376 MEMRROLVVBVTDM-RDJZCZTQSA-N 434.921 0.942 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837747094 SPHVLDQYZKJDGL-CXAGYDPISA-N 428.898 0.294 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(OC)c1 1838878815 RJOAYHKLLZAVNV-UZLBHIALSA-N 442.896 0.374 50 20 ICGD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Br)Cc1ccccc1)CCO2 1839802101 LTWFZLLOUHODMS-VQIMIIECSA-N 440.338 0.408 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839963492 MEABYJCJWKCIAD-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840647970 ONLSMUNRZPXUMD-NRFANRHFSA-N 449.580 0.707 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1843415368 CISTYFMHUNRSJN-DHRITJCHSA-N 437.460 0.132 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)[C@@H](F)Br)C4)cc21 1843999249 URICPHRIIBVIEE-GFCCVEGCSA-N 428.262 0.524 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844208612 BRCUVVIFTIZLCE-PDGQHHTCSA-N 431.257 0.219 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217754 SSGQLLXBBDLSJW-LBPRGKRZSA-N 426.308 0.306 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)N1 1845874600 RMKPDWLFENJZQY-WDEREUQCSA-N 449.360 0.174 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[S@](=O)c1ccccc1 1846386007 UJAFVOUMSRJQIN-JTBPQFFMSA-N 434.562 0.759 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846576566 IKBQYCMZJBXEAF-HNNXBMFYSA-N 425.319 0.759 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1C 728543911 NKTCOVSZOKAVKX-UHFFFAOYSA-N 431.421 0.460 50 20 ICGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)C1CCN(c2ncccn2)CC1 728981206 PMJHLHFGBQWQBV-UHFFFAOYSA-N 448.430 0.872 50 20 ICGD O=C(Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1)NNC(=O)c1ccc(F)cc1 731837405 ULTQIOZRSHPDSB-SFHVURJKSA-N 439.451 0.847 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734672621 DDKUUPIRKPRLRN-JTQLQIEISA-N 428.417 0.910 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 740851913 AYDNCEGWGCEKQF-UHFFFAOYSA-N 442.538 0.792 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617764 AJQATMNDERRXDW-AHCXZYCDSA-N 448.501 0.123 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 743335040 KYWCDKILVKOWGP-GBOPCIDUSA-N 443.428 0.679 50 20 ICGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)N1C(=O)c2ccc(Br)cc2C1=O 745988351 YPLKKLDHMVOPPW-VIFPVBQESA-N 425.239 0.507 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746098000 DVTHPNZMSKVFIV-JDJRSUBASA-N 445.472 0.796 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 751066062 ATRDZJVSAOAOEN-LSDHHAIUSA-N 439.538 0.440 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)ccc1OC 751547178 KDPWTRKOOVIPGR-UHFFFAOYSA-N 428.511 0.336 50 20 ICGD Cc1cnn(Cc2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)no2)c1 755408904 BJYUXROTPLAJJI-UHFFFAOYSA-N 438.853 0.603 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1F 763840360 UNZJQRMLZJHSLX-UHFFFAOYSA-N 445.375 0.672 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1=O 763866196 UUNKPWIULJCUOZ-GFCCVEGCSA-N 448.407 0.104 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763872213 LBQRONRXQSAYHE-CYBMUJFWSA-N 443.435 0.904 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 763998459 JMZRHDFYDGUGPK-UHFFFAOYSA-N 432.444 0.855 50 20 ICGD COc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764231819 QGOULFXRQVAAGF-LURJTMIESA-N 427.266 0.026 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764245725 UGRYUTCGGQTPOJ-UHFFFAOYSA-N 449.467 0.900 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccnn2Cc2ccccc2Br)cn1 764360416 WYHUHZYVRMBOHJ-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764398265 QSEKVBNXODHJCH-KTBRBRGUSA-N 425.385 0.451 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764403795 BKSGVQADPIEPEZ-UHFFFAOYSA-N 442.450 0.057 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)n[nH]2)c1 765582024 RTYIENLFJNLLKR-UHFFFAOYSA-N 437.522 0.799 50 20 ICGD CC(=O)NCc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765735351 KHEHCNANZBHSQZ-UHFFFAOYSA-N 437.500 0.542 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 766668964 AOYFHBVXFPOSKZ-HNNXBMFYSA-N 444.469 0.464 50 20 ICGD CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(C(N)=O)n(C)c1 767031186 UYLQWCGARPYKCS-UHFFFAOYSA-N 433.490 0.299 50 20 ICGD CC1CCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 768070918 KFCKWLUUOHETFU-UHFFFAOYSA-N 435.956 0.864 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2c1=O 769151606 AYTLJMFKLMOEIF-ROUUACIJSA-N 442.520 0.645 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)nc21 770357062 WSLYASUTNOIGRJ-SNVBAGLBSA-N 426.503 0.337 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 771933227 ULNCCTOHGLUWQA-GFCCVEGCSA-N 429.470 0.716 50 20 ICGD CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 777412178 RBWWBZKAIHJYOH-UHFFFAOYSA-N 440.411 0.766 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F 778711000 TYWKSBORJKXAKO-JTQLQIEISA-N 440.428 0.655 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004145 BPYWCZWUXNWMRP-UHFFFAOYSA-N 429.458 0.180 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c1 784838935 AJELJSVHQZRVOQ-UHFFFAOYSA-N 447.502 0.870 50 20 ICGD Cc1nc(Cn2nnc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c2C)no1 787148183 XEAZLTVDMGXSSW-UHFFFAOYSA-N 433.812 0.598 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 788223681 MAMMCZXYOGIEMI-GFCCVEGCSA-N 430.533 0.692 50 20 ICGD O=C(NNc1nc2ccccn2n1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 791253477 NXEMJPBHXGRMRW-ZDUSSCGKSA-N 442.457 0.810 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)=NN1c1ccccc1 794063715 JWEHHBZAMHJKSL-KRWDZBQOSA-N 438.444 0.180 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1C(N)=O 797006082 ILULTGZJHJCMGS-UHFFFAOYSA-N 428.445 0.875 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 801109437 NKCUAJBZDVLVDV-CQSZACIVSA-N 436.515 0.996 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 812733455 SLMILKVRSDINOW-WBVHZDCISA-N 437.566 0.713 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(F)cc1Br 815693358 USMUOYFNGDYXKC-VIFPVBQESA-N 439.245 0.837 50 20 ICGD O=C(CSc1nncn1-c1cccc(Cl)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 913181185 GDOVLMKWRLUZMF-SNVBAGLBSA-N 429.911 0.595 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2c(O)nn(C)c2n1 915188360 GRFHAFYOQRBIIV-UHFFFAOYSA-N 432.462 0.307 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1CCS(=O)(=O)CC1 916143755 CLWOWXQQSGOIFR-LLVKDONJSA-N 434.312 0.094 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12 916222029 QLUGYVKCHIEKBR-LBPRGKRZSA-N 431.478 0.685 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 916267373 PQIXKAQIZPNZIE-SFHVURJKSA-N 441.492 0.159 50 20 ICGD Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916724114 VBPDPTUOKLRPJV-UHFFFAOYSA-N 444.517 0.990 50 20 ICGD CCCCNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 916916172 PBWQRVOYONCCBA-UHFFFAOYSA-N 427.596 0.597 50 20 ICGD COc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1S(=O)(=O)N1CCOCC1 918363668 BUEPQONGJLSIHO-UHFFFAOYSA-N 439.412 0.358 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)N[C@H]1CCS(=O)(=O)C1 1318387021 JWEDSMMKTTXFAN-QMMMGPOBSA-N 448.839 0.989 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(N2CCNC2=O)c1 1330143431 XFMHYXBYISURTL-UHFFFAOYSA-N 445.501 0.994 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 1330359998 OBLUKNLLXBNRFR-OAHLLOKOSA-N 425.530 0.191 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779843306 WCJOSBQNFODFHR-HXUWFJFHSA-N 435.550 0.620 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780028075 KRTWLIANLNQKGD-LRDDRELGSA-N 430.230 0.944 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782314490 YBIMMYLTRUNECF-FZKQIMNGSA-N 442.310 0.210 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782739068 VGIBUSAIQIZODX-XMSQKQJNSA-N 446.552 0.153 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCS1 1782752163 GVYKMFWTJICGPT-WAOWUJCRSA-N 432.351 0.390 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1783871380 QORUQROLAXHLDK-LAUBAEHRSA-N 437.924 0.842 50 20 ICGD O=C1COc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)cc2N1 1784092438 LJKQOGGZPSVQPI-HPZZRFSDSA-N 437.880 0.211 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784462942 RTWAEBLMTAFXDS-ILAWTMEDSA-N 435.289 0.308 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979480 NSSWAQOXAUIXBX-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1788764165 BXFJYAPFVRBRKD-RCBQFDQVSA-N 436.541 0.620 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809631 GDVXJUWGSWHVFA-BLFANLJRSA-N 444.286 0.942 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789111893 NPMWFSOANHWOQC-XWUBHJNHSA-N 427.299 0.807 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1790963353 GDPPVGGMEVRFFL-FQKPHLNHSA-N 430.343 0.666 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1791254907 WHBBIOUDUXAQDI-MHEUCROKSA-N 437.884 0.282 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288105 YLVUDTOPMPBUAX-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)C1 1792972714 KYGICYVGCXNUJP-AJSWTNHPSA-N 435.290 0.856 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21 1793955513 LHWMRHQUCPKANQ-QDMKHBRRSA-N 448.487 0.382 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1794720580 LPQHDZFOIJNJLH-ZWUHOBOKSA-N 429.926 0.478 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1F)C2)c1ccc(B(O)O)cc1 1795736304 XMFNGFIFLKIMSH-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1796300214 QDWHUKKRJFUBES-USZNOCQGSA-N 440.324 0.265 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc(Cl)n1)C2 1798439838 JTYNGTJDKKLCQR-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1ccccc1=O 1798605001 QAWFWMLVMRINML-JONQDZQNSA-N 438.488 0.360 50 20 ICGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1801959398 UBRZBZBCFUNASP-FQUUOJAGSA-N 436.372 0.138 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369394 IQEXYMLZCREBRW-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813029962 BMCBGLHAASLFBZ-OFQRWUPVSA-N 448.844 0.066 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817471718 YGSYCRBPPDULAD-KRWDZBQOSA-N 439.281 0.018 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1821214713 MWZRFVKRVINRHY-LALPHHSUSA-N 445.904 0.845 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824400436 LYDQTCVEJCJKKS-FUHWJXTLSA-N 437.585 0.894 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCBr)CC2)C(=O)N1 1824966257 TXUJGRCFCSSVKQ-CQSZACIVSA-N 443.342 0.943 50 20 ICGD C[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328464 CQFOOZDTQRMQAF-MNOVXSKESA-N 449.371 0.125 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)on1 1826084043 YJWAMMKWKXHTKR-GFCCVEGCSA-N 434.522 0.967 50 20 ICGD CC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1827679550 IIDQRYLVVPQLIC-KWXFCVSUSA-N 444.536 0.876 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739172 YOVOMJSGFFTESU-DYESRHJHSA-N 448.907 0.746 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832681004 MNCLLNVJNTWDHD-RDTXWAMCSA-N 442.310 0.700 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832815267 WBULXOSXODGQCD-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccn(C)c3)CC2)CC1 1834079327 IBTGMMWLWQMMBM-UHFFFAOYSA-N 432.569 0.583 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238358 BOGYTJCVEXFHBZ-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834525136 SZDMJWSTYMYWQI-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591934 QMYWEXVTWJQGQE-QGZVFWFLSA-N 429.267 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CC3(F)F)CC2)CC1 1835452289 QUKRFEDGPMUEOS-INIZCTEOSA-N 429.512 0.586 50 20 ICGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccc(Cl)c1 1835724613 NRDHJMRDJCFKMK-TXPKVOOTSA-N 446.331 0.396 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1836059013 CDGYBOAVYMKCSO-QGZVFWFLSA-N 429.315 0.204 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836101803 OKRSKOSBPVWNBG-FQEVSTJZSA-N 438.550 0.120 50 20 ICGD COC(=O)CSCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714358 SHBLXWPJBLBGJQ-HNNXBMFYSA-N 436.958 0.491 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717262 QKTGNEQCDGMDPG-PBHICJAKSA-N 431.961 0.890 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837376411 YZOOVBXCJJHRAB-LIRRHRJNSA-N 432.949 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)no3)CC2)CC1 1838482584 MUQLZLPOGDBUKM-UHFFFAOYSA-N 437.497 0.365 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123500 RVJNJECMRJKRGX-OLMNPRSZSA-N 432.359 0.758 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cnn1C 1839197754 HUNLOXYZSIWZFK-CZUORRHYSA-N 433.278 0.489 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839963337 IELZKEAEAXSPEP-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1839963798 WQCZUADPNLZOPY-RHSMWYFYSA-N 437.331 0.279 50 20 ICGD O=C(CCBr)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129881 IZQANEBFSGRJSC-UHFFFAOYSA-N 431.312 0.440 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnc3ncccn23)C1 1843762127 ARVDWWAOHHJOFP-AFUMVMLFSA-N 434.460 0.680 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2)NC(=O)NCc1ccccc1 1845038284 MJFIIWZDLPIGPF-UHFFFAOYSA-N 429.521 0.307 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385406 BVWZUMOJYMFUOB-HNNXBMFYSA-N 447.511 0.520 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1[N+](=O)[O-] 1846872592 GVSNVYYYPVVSOV-UHFFFAOYSA-N 439.233 0.414 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034348 RQWIHYSZINHZAQ-YTPRYADDSA-N 443.410 0.625 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(C)CC1 725878270 GPELNWDUPSIXIS-MRXNPFEDSA-N 437.566 0.258 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 728179135 OXCHLRKXGMOKEU-LLVKDONJSA-N 444.307 0.537 50 20 ICGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)NC(C)=O 728269646 SMXFRSKQNZKOPN-ZFWWWQNUSA-N 426.495 0.170 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N2CCOCC2)c(Br)cc1F 728507141 LCBTYWBEUVSYRP-UHFFFAOYSA-N 440.247 0.610 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1=O 732033309 AUKDYXIMINHWIN-UHFFFAOYSA-N 439.222 0.196 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCNC(=O)c2cccc(F)c2)c2ccccc2c1=O 732469151 AOCHTXVVLVZSHJ-UHFFFAOYSA-N 440.435 0.837 50 20 ICGD COc1ccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1OC 735118286 QGYSNKWVXFDAST-UHFFFAOYSA-N 449.533 0.721 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1F 743820551 NABLIPSLSPBSEH-VDERGJSUSA-N 436.465 0.704 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc(OC(F)F)cc1 743831986 CBIQBZZHBXDCBI-UXOAXIEHSA-N 438.387 0.993 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 744542630 NLFGJHYRTICGGY-UHFFFAOYSA-N 442.453 0.716 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c2ccccc2c1=O 746096889 PMHVRHINMKEPOX-UHFFFAOYSA-N 425.449 0.698 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 754347242 VPYHSXKJKBEQNZ-INIZCTEOSA-N 448.501 0.639 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)[C@H](C)O)cc1 754754191 MMGMBWPMPSETBL-YOEHRIQHSA-N 445.501 0.440 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 758660189 BLGIJJSAWYIFAI-CYBMUJFWSA-N 435.506 0.718 50 20 ICGD CN(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786394 MDYJXVZUHJBJAL-CYBMUJFWSA-N 449.574 0.586 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)Cc2cccnc2)cc1C 760260613 OFWMVBXMXYYPOE-QGZVFWFLSA-N 447.517 0.001 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 763622889 HPFXHLTURNXUBS-UHFFFAOYSA-N 448.501 0.847 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccccc1N1CCOC1=O 763805695 VYHPWDWATAVRGX-UHFFFAOYSA-N 443.372 0.716 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763866025 NBSBPPNVCMXSAE-YVEFUNNKSA-N 444.419 0.281 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)ccc1-n1cnnn1 764002397 LZPQTNNAKTUIJY-UHFFFAOYSA-N 447.253 0.471 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)n2c(C)cc(O)cc2=O)cc1OC 764023138 ACECEIKXYKBRDU-GFCCVEGCSA-N 433.417 0.445 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274849 FKKZQCITULDJLG-UHFFFAOYSA-N 430.417 0.072 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764292523 CXNCUCVBOTVFGE-UHFFFAOYSA-N 448.505 0.221 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cn1 764363431 OYDHDIKPYTXMKX-UHFFFAOYSA-N 434.456 0.792 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2nccnc2OC)cc1 764459824 CMKFPCCBRDAYEX-UHFFFAOYSA-N 436.494 0.389 50 20 ICGD COc1nccnc1NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 764724015 FQTLGOCUZYGGDS-UHFFFAOYSA-N 428.409 0.514 50 20 ICGD Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769956227 WOGVBSQNJZAFRH-GOEBONIOSA-N 425.453 0.196 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 770647772 BTPXHGMDATUAJH-LBPRGKRZSA-N 433.918 0.272 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1)CC2 773656205 KGELTXZDAHIYNK-UHFFFAOYSA-N 433.446 0.925 50 20 ICGD CN1CCN(C[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c2ccccc2)CC1 778691509 DYNVUMVMKVTSAL-QGZVFWFLSA-N 434.541 0.830 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccnc(Br)c3)cc2)CCN1 784837599 JSYXVSVDSVKNGC-UHFFFAOYSA-N 433.266 0.862 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)n1 784843309 LZABKORODKURLP-UHFFFAOYSA-N 449.489 0.965 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)n1 784846545 SRYHJYYHNIWZCW-UHFFFAOYSA-N 429.433 0.653 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 784853669 KSEDCWLDMBPPLT-UHFFFAOYSA-N 439.472 0.943 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3ccccc3S(N)(=O)=O)C2=O)cc1 788223582 KOLCAUOCSJQBAS-IBGZPJMESA-N 431.474 0.553 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1 791626578 WRANTIZIPSZBBL-HXUWFJFHSA-N 441.536 0.567 50 20 ICGD O=C(CO)NNC(=O)c1ccc(I)c(I)c1 799102381 AFRCAZCYUHDESD-UHFFFAOYSA-N 445.982 0.649 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNc3ccc(-n4ccnc4)nn3)cn2)C[C@@H](C)O1 806327013 YJSHRYUJXANTBC-OKILXGFUSA-N 440.468 0.643 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 806435339 ICTQKJPNWDYPBR-UHFFFAOYSA-N 445.465 0.227 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 806977690 VDYUGIRFHXMNNS-KRWDZBQOSA-N 447.469 0.329 50 20 ICGD O=C1C[C@](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)(c2ccccc2)CN1 811235316 CIVXQWQWRWEFCA-HXUWFJFHSA-N 426.385 0.357 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729747 SSLHIZJJGBUKLU-UHFFFAOYSA-N 430.508 0.846 50 20 ICGD O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816881721 NQEYFZTYVCIZKO-ZDUSSCGKSA-N 438.423 0.161 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 838562928 LLMHBOGMMGEXDU-MRXNPFEDSA-N 434.474 0.607 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cc(Br)c[nH]1 849193769 CPGUBDFYSSEPET-VIFPVBQESA-N 427.346 0.599 50 20 ICGD CNC(=O)c1ccc(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 913627837 BOFXKWSTEKILLV-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2nc(O)c3ccccc3c2=O)c1 915164214 IPYVIRTZALYINY-UHFFFAOYSA-N 430.442 0.357 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCN(C)S(C)(=O)=O)nc1 916580152 GGQUUSLUPSZSHV-UHFFFAOYSA-N 436.560 0.020 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 920473671 USOCTETYNUYIMS-DIFFPNOSSA-N 425.536 0.503 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)c1nnc(O)c2ccccc12 1324217787 WBUYJWYCGZKUHM-UHFFFAOYSA-N 438.185 0.748 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1779058308 IMJSGRYYDARJCZ-NORZTCDRSA-N 430.278 0.797 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779300022 KQZGAWXUNYCTMD-FQEVSTJZSA-N 431.569 0.953 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2)[C@H](F)Br 1780776567 HBOJJVXTSUMHDP-ISTRZQFTSA-N 445.289 0.448 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@H]2C=CS[C@H]21 1781528719 BUPLDVFDDVMYNG-ACMVSEJYSA-N 442.346 0.369 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1)C2 1782210749 GWUSIMRZOOYNPU-JMUQELJHSA-N 446.548 0.607 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1783874621 GCRNBHBXJAQSNI-FZKQIMNGSA-N 428.873 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1783884040 ZLHKSJFFCLHHDQ-SCLBCKFNSA-N 425.848 0.566 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(OC)c1 1783935429 SOJKMHIHHNTROU-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784454848 MBHDYMUEVPWCSE-DYVFJYSZSA-N 427.299 0.716 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784548707 VYLZDABEJBTPRB-HRAATJIYSA-N 433.509 0.052 50 20 ICGD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1C(F)(F)F 1785527815 BMZVJRMGNCIXRV-SYEHKZFSSA-N 438.834 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786981160 WDJRYODRGYFDIM-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(F)ccc1F 1789437073 NFDCNMIAEXURSC-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(F)ccc3F)[C@H]2C1 1789437467 CJQNGZAHQUGTCE-OWQGQXMQSA-N 438.475 0.931 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccc(F)cn4n3)[C@H]2C1 1790526737 IFYWUBCAVXIBTP-MHEUCROKSA-N 439.875 0.716 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792240037 SJLRNFGJNPUATO-CYDGBPFRSA-N 433.983 0.844 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncccc1OC 1794033545 VQDJIESIAUITLZ-NXEZDXNNSA-N 425.913 0.866 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(C#N)c1 1796191608 DSQNJMFPVMEYCX-WKCHPHFGSA-N 447.300 0.741 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1O 1799846860 DXHSYWAHNDICBB-DLTLXFJOSA-N 425.869 0.154 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180918 QHEHOUNZUDAIFD-OVZMXSCWSA-N 427.299 0.488 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1800639948 CRGWZZNYHXLOOI-XGUBFFRZSA-N 432.359 0.912 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801010558 GHZOTZFCAGICAF-OPMZPASUSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)c1ccccn1)C2 1801012271 RQMVTTJESZFRDD-CWPLJXCYSA-N 431.537 0.322 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803678485 KUWURNUISXRPIE-ZAAXVRCTSA-N 425.294 0.364 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376293 VECYBRMNZOSROF-LKUPVBHCSA-N 439.321 0.895 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnccc1F 1807824035 CAUDMNGWRSBIJV-DYESRHJHSA-N 448.263 0.929 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C1(O)CCC1 1809978311 ZMHPFPDBVHNFLL-KRWDZBQOSA-N 428.338 0.762 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnn4cccnc34)CC2)C1 1809978770 PPFNANGUFCDQKF-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1O 1810659483 FCGHZYHGILPPLK-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1 1813072360 ATWKGOVZVWAMHA-UTKZUKDTSA-N 442.524 0.142 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C1(O)CCC1 1815335850 UBNOTHBOTHCYEW-IUODEOHRSA-N 443.334 0.600 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnc(F)c1)CC2)c1cccc(B(O)O)c1 1815349971 BIWLQSSLPVHGOD-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD Cn1nncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816035014 OVSNXWJOLCKKAQ-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD N[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccccn1 1817332900 XVHKARMLVUQXSJ-AZUAARDMSA-N 448.292 0.490 50 20 ICGD Cn1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1=O 1817473807 AWVFOAROFVBVPQ-GOSISDBHSA-N 449.276 0.408 50 20 ICGD CCc1nc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)co1 1820751868 SIBFWHOGKYXAPQ-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1 1825642370 QNQOLBBRIOSOAL-UISBYWKRSA-N 447.355 0.990 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C)CC1)CC2 1826000614 YPEYKVQSSDDWQC-QWHCGFSZSA-N 429.974 0.556 50 20 ICGD CSc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1O 1830730619 BCVSNSBKWOYYBK-KUHUBIRLSA-N 444.937 0.784 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732214 WLRYTYKHBJYRBA-GHTZIAJQSA-N 448.907 0.608 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830736963 CATIOJCSJZKRCB-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831639620 DKDSPMKVTWFELW-LIRRHRJNSA-N 428.917 0.459 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833041326 TYWCCWYSPXYIAC-CRAIPNDOSA-N 443.342 0.740 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834822503 RBZGHXRHPKAZOG-IDOMTICXSA-N 433.299 0.347 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836399472 ANUUWHHEJARUIL-GOSISDBHSA-N 432.352 0.670 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836918872 KVGKWQYOXLOWNX-SJORKVTESA-N 430.977 0.985 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(C)C 1837221491 JATOJZTVOONVID-QUCCMNQESA-N 444.601 0.882 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838168776 GNWJXSLBLRMNRF-KPZWWZAWSA-N 433.839 0.684 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)nn1C 1838834538 JONOILMXVJSPQI-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840176991 LFZWRBRTRWMVRZ-MOPGFXCFSA-N 434.917 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1840182855 KDDGKEGPRPLFKN-KXBFYZLASA-N 446.495 0.251 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)o1 1840183481 GYMUREMAOWESOR-OAQYLSRUSA-N 436.509 0.339 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840852502 PEILYDJZSCCOCR-CRAIPNDOSA-N 448.358 0.533 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC3(CCCN3C(=O)[C@@H](O)CCl)C1)C2 1841353401 WSNUNUXBTXMUOT-ZFWWWQNUSA-N 438.912 0.425 50 20 ICGD O=C(c1cc(=O)c2ccccc2o1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013008 YTIMUCAWDAKGCK-UHFFFAOYSA-N 432.241 0.604 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1847149820 CKQRAWPRCBKMFG-ZIAGYGMSSA-N 431.917 0.425 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1NS(=O)(=O)c1cccs1 28483132 DJTQSCMSLCPOQO-LLVKDONJSA-N 443.528 0.745 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727270639 KIQGEMPNJIAUCG-UHFFFAOYSA-N 427.552 0.105 50 20 ICGD CN(C)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 728178072 AZDBSYJLUNKLGQ-ZDUSSCGKSA-N 432.520 0.114 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3ccc(O)cc3)cc2)CC1 728213908 GPPQMANEGZCEKO-UHFFFAOYSA-N 447.517 0.201 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Br)cc1Cl 728826736 ARHLQMUHZNCFSF-ZDUSSCGKSA-N 445.701 0.991 50 20 ICGD Cc1nc(CN2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cs1 728945271 ZBANCRNJJGIOFZ-UHFFFAOYSA-N 427.494 0.599 50 20 ICGD Cn1c(NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)nc2ccccc2c1=O 733261785 MLDFQIXHDVJFMD-NRFANRHFSA-N 438.419 0.983 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OC 735512441 MKDIMFXXUFHPDN-ZDUSSCGKSA-N 432.437 0.195 50 20 ICGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 744314669 ARGFGAHDQFZCGI-GOSISDBHSA-N 437.412 0.832 50 20 ICGD CC(=NNC(=O)C(=O)NC(C)C)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 744817526 KKWUANOYVUWBOC-UHFFFAOYSA-N 438.506 0.537 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)N1CCOCC1 747323217 NYOYDPNFMDXXCK-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cnc2c1c(=O)n(C)c(=O)n2C 747887264 YILHXXKPNNEVEP-UHFFFAOYSA-N 433.428 0.201 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752126430 HCDQOLGETWGBMS-LBPRGKRZSA-N 437.503 0.483 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNc2nc(Br)cn3ccnc23)o1 754016172 AUCJLYJTDGTVET-UHFFFAOYSA-N 429.256 0.891 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757630784 MJOFADJRSXWFGL-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760877949 KECMBZYIFFHNDC-AWEZNQCLSA-N 428.511 0.535 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C 761072778 PDKWLCKFYLZYFX-UHFFFAOYSA-N 428.511 0.904 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cn2)n1 763573525 SUSMWPJOMIJBQM-QGZVFWFLSA-N 436.428 0.810 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 763659885 SXKZLOLDVWXXKL-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)n1 763881696 OXSXFAHVHJZCMY-UHFFFAOYSA-N 440.435 0.635 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 763994581 ZFNXWTPMCBKZPH-UHFFFAOYSA-N 439.469 0.641 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)ccc21 763994901 JIDMDWVPGUETBU-UHFFFAOYSA-N 435.238 0.367 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 764297295 NLVJMWFNIVGMQB-UHFFFAOYSA-N 449.155 0.621 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 765428630 JRNHIAKGGHBZJB-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)n[nH]1 765587165 QHLCVZYTKKIQMU-UHFFFAOYSA-N 426.886 0.628 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767853813 ZIODROYFXXZNEG-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2 768109967 BCYNGUNOKRIXPV-ZDUSSCGKSA-N 433.490 0.936 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(F)cc2C(F)(F)F)n(C)c1=O 771878796 MKJBCDONEXGYOK-UHFFFAOYSA-N 426.330 0.742 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 773645341 YYWFLZWYZHBWNF-CHWSQXEVSA-N 445.436 0.509 50 20 ICGD O=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)CBr)CC1 777777788 PDYOXNPTSMVHJQ-UHFFFAOYSA-N 432.340 0.963 50 20 ICGD COC(=O)CNC(=O)NN=C(C)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 779822164 ASFDROWRLHRFLW-UHFFFAOYSA-N 428.467 0.368 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNc1nccn(C)c1=O 781946210 WLBZERYVCOOUFV-UHFFFAOYSA-N 445.505 0.306 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCn2ccnn2)cc1 782828898 BEUKEHVBOKLASA-FOWTUZBSSA-N 434.460 0.749 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 787540646 BYSZKHCVHADAPX-UHFFFAOYSA-N 425.401 0.653 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N[C@@H]1CCS(=O)(=O)C1 795302717 LVOTUPJVXSIVGW-ZCFIWIBFSA-N 430.823 0.067 50 20 ICGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1Br 797001154 YPQMANJVYSWBAY-MRVPVSSYSA-N 436.259 0.417 50 20 ICGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 797940849 UPUQHHRMGWYKLF-WJOKGBTCSA-N 442.541 0.572 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cnn(C)n2)cc1 805204515 XDGISYYLSHMUHD-DHDCSXOGSA-N 434.460 0.786 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 808094378 MLXRAMMRCJPKTJ-UHFFFAOYSA-N 434.902 0.921 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)c1 809957777 YBUDNINETNOQFK-AWEZNQCLSA-N 434.522 0.412 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 810386450 AOIPVNVLTAZWFC-HNNXBMFYSA-N 448.382 0.519 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3scnc3C)c2)nn1 812980291 OMPFRBKPJWVFRC-UHFFFAOYSA-N 429.418 0.219 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CC2CC2)c1OC 819110359 ZNFKYLBITWQKDJ-UHFFFAOYSA-N 427.479 0.286 50 20 ICGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc(-c3ccco3)nc12 913081474 QNGPHIHCTQSFLL-MRXNPFEDSA-N 448.395 0.689 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1ccccc1NS(C)(=O)=O 1261257567 XZHAJBVTEVTXKC-UHFFFAOYSA-N 426.520 0.994 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)CC1 1318579336 TXAIKGQQPYSWLF-UHFFFAOYSA-N 427.502 0.213 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccccc3)CC2)cc1 1340553191 AYCQTKVZEBEKAV-UHFFFAOYSA-N 430.530 0.691 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCO2)C1 1779034306 QTCZJNGPRNOKRN-MKFDZEHOSA-N 441.532 0.955 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779195526 DQJLWSGDPFAFSI-QMYADUOMSA-N 433.933 0.972 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cn1)C2 1782210878 VHZPCZMKCZYLLT-DYESRHJHSA-N 433.509 0.288 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1782647128 JPCJNQXONUKKQB-JKSUJKDBSA-N 425.382 0.537 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CS[C@H]1CCCCO1)CCO2 1783936435 VRMZLEAAFUHRRW-PMACEKPBSA-N 442.582 0.449 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804600 GDTMCEHEJMNZQI-WFTHSTBKSA-N 446.331 0.518 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cs1 1786202787 UVOUHGDIIJMKAS-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1ccccn1 1786870492 PFZVRGPNNZSQFU-IXDBCEGASA-N 429.290 0.752 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccc4[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981755 KCDZCFPTJNUFOO-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc[nH]3)[C@H]2C1 1787024448 PJRLEKQKMPLBNL-JVPBZIDWSA-N 440.504 0.239 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21 1791291419 URRWJLVVSZWIEW-WDSOQIARSA-N 442.520 0.301 50 20 ICGD COc1ccc(COCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1791380894 IJWFXXLDEBCWFK-KANFNMMFSA-N 440.924 0.791 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868612 GQVKNUUEDXPMOL-VJTDZRGJSA-N 439.372 0.288 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc(OCF)cn1 1796188211 BURLOSLFXQRUNP-MUJYYYPQSA-N 428.229 0.028 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1800757368 PJUWZFQGMJVGDK-LURQLKTLSA-N 449.195 0.715 50 20 ICGD C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1802025257 MQSISAGEDCQMGA-HATOLVCRSA-N 441.532 0.336 50 20 ICGD CC(C)(CCl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1802896825 FDMXGNZDWXVTFY-PBHICJAKSA-N 435.912 0.904 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1803517742 JVFYCWLKJVZIEC-ZMSDIMECSA-N 431.942 0.776 50 20 ICGD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1805688099 UFPCSLVGGCPVDX-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncc(F)c1 1805846130 PPXIUNDQOSPXBT-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CCn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805910826 ACPUOOIAJMIUQI-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1806123174 SQKZCPCUDHUESF-KKSFZXQISA-N 441.488 0.727 50 20 ICGD CCc1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1807361522 QWZXTMFKOQRKHH-DYESRHJHSA-N 448.288 0.945 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1807869574 HEWAIHZJXCYWFE-PSOMGPDVSA-N 449.475 0.653 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977517 ATRIGURGJMXOTA-FQEVSTJZSA-N 443.353 0.516 50 20 ICGD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811074019 MLSZTWMNCJXXCB-XLIONFOSSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1813071238 QVWMASAUYMWOHX-XMSQKQJNSA-N 439.520 0.493 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815106725 HWJFBEBBOOAYFC-HIFRSBDPSA-N 435.529 0.690 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)C(F)F)CC2)c1ccc(B(O)O)cc1 1815337996 ZMFIJLYDFSTXNK-JTQLQIEISA-N 445.203 0.949 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)c1 1815755198 MBUSKVUDOROEHW-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820026518 NFIGQGPKHYRBKB-ZYHUDNBSSA-N 435.872 0.858 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823792511 GSIFRLGYYLLNJR-RTBURBONSA-N 437.585 0.894 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1O 1825457247 XEHIVCUUQAADGI-LJQANCHMSA-N 440.309 0.353 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827560604 WDKOLXSEJIWUSL-RTBURBONSA-N 444.341 0.047 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1829859204 BYRNEFCCZSNMMA-JCGIZDLHSA-N 438.352 0.594 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537126 BTXZRSVSRBEEPL-BMCXSGSRSA-N 447.326 0.593 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722341 AJPYZVJMVKAYSC-VQIMIIECSA-N 429.876 0.294 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830736912 XTKDJSRTDGNROW-DPTMFGANSA-N 438.908 0.765 50 20 ICGD COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833529535 UFDDZRNDDNMZDY-INIZCTEOSA-N 425.574 0.214 50 20 ICGD COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1834315471 YNKAVYFROCDOEG-MRXNPFEDSA-N 425.917 0.270 50 20 ICGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1834574842 PNKWIQPSTCSJIW-HNAYVOBHSA-N 427.885 0.068 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834824201 WKPPJKLTEDDEOY-QGZVFWFLSA-N 425.283 0.741 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835823559 ULOZPNVVJICZCD-LQWHRVPQSA-N 439.940 0.439 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc2n1 1836263686 KYIMQYWDOXNBLW-FOIQADDNSA-N 437.880 0.806 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836623635 ZIBYZLPATQKAKQ-INIZCTEOSA-N 430.977 0.843 50 20 ICGD O=C1COc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc2N1 1836992867 YVWYGQGSFAIKCK-APWZRJJASA-N 441.843 0.622 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)ccc21 1837148919 BUXFIZHYWZZRQO-DNVCBOLYSA-N 425.844 0.534 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)ccc21 1837153111 LIWRXYDTDCHDQL-IBGZPJMESA-N 442.299 0.804 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837248694 YFWKPUSQTXPCBZ-KVWGNXHNSA-N 427.929 0.685 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837747181 SPHVLDQYZKJDGL-SUMWQHHRSA-N 428.898 0.294 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n(C)n1 1839151248 LQMZKOPFQMBTMB-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200650 OCKZLRRIHOXAOQ-BBRMVZONSA-N 432.246 0.081 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652328 ZZNRPHYDSDPDMW-HNAYVOBHSA-N 426.901 0.589 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840030304 IFZVQFUTWHAVMF-VQIMIIECSA-N 446.386 0.958 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cc1C 1840153604 VATARQSVAONKLO-KXBFYZLASA-N 428.917 0.535 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840154643 BGNJBODUTSXIQP-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)c1ccccc1 1840187912 DTLVDTGPOHCAGI-DNVCBOLYSA-N 430.332 0.989 50 20 ICGD Cc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1840705948 GDCZSLNRVVHKLB-QFBILLFUSA-N 432.851 0.943 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841438056 GEDWPPRIFMZCPV-UHFFFAOYSA-N 444.532 0.982 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265455 DVYDLLIOKSPVEA-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CCOc1ccc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1 1844832733 BRXJBRBPTKAECG-OEAKJJBVSA-N 439.476 0.826 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845612811 XEKYXULAQDHEMB-ZVHZXABRSA-N 439.476 0.617 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847498278 FHMRFOJYEACVOL-IHRRRGAJSA-N 436.372 0.645 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 726283145 XGJDYNUUUUQMSY-OAQYLSRUSA-N 441.444 0.659 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 726499349 FWRZKEUZWXFYBH-UKRRQHHQSA-N 438.462 0.090 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)CCC2CCCC2)ccc1Cl 726522877 ZJECIXFTFUOKOD-UHFFFAOYSA-N 430.914 0.835 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 729230909 CSJCOJFYJGQMLC-UHFFFAOYSA-N 443.489 0.248 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2Cc3ccccc3C2=O)cc1 729966686 WLHIHYAOFCLOKE-UHFFFAOYSA-N 430.486 0.419 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1S(N)(=O)=O 730842047 UJRFAHUYVRMNEK-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD CN1CCCC[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 732257552 SKBZXCBTRDDFSK-SFHVURJKSA-N 438.550 0.272 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H](C)CS(=O)(=O)CC)c2ccccc2c1=O 733660813 VKTYAOJHLQRYBQ-CYBMUJFWSA-N 437.522 0.964 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737778135 GWKYKCFHKNJUIC-UHFFFAOYSA-N 446.445 0.633 50 20 ICGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619472 QAAMZAUTJKQJSP-UHFFFAOYSA-N 447.473 0.613 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccs2)nn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 745560576 FJZAELWMRQCURE-UHFFFAOYSA-N 430.402 0.914 50 20 ICGD Cc1ccc([C@H](C)[C@@H](O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 745756743 NXAVRCRRRKNLOS-ADLFWFRXSA-N 428.441 0.990 50 20 ICGD CN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1C=O 746594163 JNZMLGXYTRWRGY-LBPRGKRZSA-N 436.412 0.472 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1NS(=O)(=O)C(F)(F)F 747349615 GEEDVSSNVQWPIM-SNVBAGLBSA-N 443.425 0.452 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 751199865 LSFOJPJUDFVFFS-UHFFFAOYSA-N 441.238 0.337 50 20 ICGD CC(C)n1cnc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 753949008 HZKLHANFHMAPFO-UHFFFAOYSA-N 441.535 0.872 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cccnc1 755441285 JYZHUZPDRLPREX-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)n[nH]1 756359191 OKLLDPNIHYXFOW-UHFFFAOYSA-N 428.497 0.395 50 20 ICGD O=C(NNC(=O)c1ccc2nnnn2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 758150134 DZXRFPNLUMWWNB-UHFFFAOYSA-N 429.462 0.374 50 20 ICGD CCC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1CC(=O)NNC(=O)C(C)(C)C 759716721 FLFXPYYOIWUARP-HNNXBMFYSA-N 440.589 0.160 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3nccc(OC)n3)ccc21 760213273 VQVXQZODRVYETF-UHFFFAOYSA-N 428.453 0.898 50 20 ICGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763530841 IUMVDRZKYZBPOV-UHFFFAOYSA-N 427.509 0.762 50 20 ICGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1C 763531523 OLFXHEVVVYWPKW-UHFFFAOYSA-N 427.509 0.335 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1-n1nnnc1C 763535380 BCJHMJGLDVDLFI-UHFFFAOYSA-N 434.416 0.860 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccn(-c2ncccc2F)n1 763579555 YEMHFTQERMUGLO-AWEZNQCLSA-N 426.364 0.332 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763674731 PPLLLTIFCOHNKL-UHFFFAOYSA-N 426.385 0.275 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763807827 GRXVOGCNONOGCS-UHFFFAOYSA-N 446.423 0.379 50 20 ICGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)c1cccn1C 763992224 AORPVADRVPSJBF-UHFFFAOYSA-N 429.502 0.922 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cccc1C(=O)N1CCOCC1 764034024 BMFRZTWIUXTZJU-UHFFFAOYSA-N 430.486 0.858 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1C 764230699 JSNYKHPUSYDBIN-NSHDSACASA-N 439.519 0.451 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 764230718 KGMMUJXESAAUGS-GFCCVEGCSA-N 425.511 0.089 50 20 ICGD CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 764230781 LBEVRWYIYNINCC-NEPJUHHUSA-N 430.552 0.909 50 20 ICGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764276909 FBEIVARNWMKFRU-UHFFFAOYSA-N 444.444 0.658 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1 764358739 NPBAKPMOEFLGEK-UHFFFAOYSA-N 436.494 0.240 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764365892 HPSPFZALSVVPDN-AWEZNQCLSA-N 428.445 0.963 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 766260603 HWMDDDDAHFNKBZ-ZVHZXABRSA-N 447.477 0.380 50 20 ICGD COC(=O)c1c(F)cccc1NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 773625291 HFXXWNIKUUZBAU-SNVBAGLBSA-N 426.426 0.221 50 20 ICGD CN(C)CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 775447689 BAVUMLBGRMHTTJ-UHFFFAOYSA-N 426.543 0.642 50 20 ICGD Cc1ccc2c(O)c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc2n1 781234622 SLJRSDCBGJZFGA-MRXNPFEDSA-N 438.396 0.788 50 20 ICGD CN(NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 783431981 MNKDNMPCIZPQOG-UHFFFAOYSA-N 436.465 0.953 50 20 ICGD O=C(NNc1cccnc1Cl)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784838637 ACUXNIPTDJOLKF-UHFFFAOYSA-N 446.895 0.879 50 20 ICGD Cn1nccc1COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 785669512 CWXFQRIFIUOZGM-UHFFFAOYSA-N 435.506 0.573 50 20 ICGD C/C(C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)=C\c1cccc([N+](=O)[O-])c1 787162467 KZYXCQXZSCTUIV-OHHJULLVSA-N 425.405 0.547 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C1 788169482 PGJNTUSUSQPCNZ-IYBDPMFKSA-N 437.566 0.955 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788917188 UEFFQKGYYPHJKZ-UHFFFAOYSA-N 430.531 0.835 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 789939509 NZSZKCWYKQUDMQ-XIBHIQDMSA-N 432.521 0.966 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 790063492 KYUGBOLQISUCBS-UHFFFAOYSA-N 430.527 0.750 50 20 ICGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)CNC(=O)OCc1ccccc1 794064663 GEXFQMRVTSBZPJ-UHFFFAOYSA-N 431.449 0.315 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 797369062 NFHUXPDQRRIFQQ-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD NC(=O)CC[C@H](C(=O)NNc1ccc2c(=O)[nH]ccc2c1)N1C(=O)c2ccccc2C1=O 803436855 AMTCOUQPGPRMOL-QGZVFWFLSA-N 433.424 0.902 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1=O 807238939 QINWAQPJLHPTBF-OAQYLSRUSA-N 442.476 0.364 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(Br)n1C 808070921 FUACALCHAIMXEQ-UHFFFAOYSA-N 431.268 0.886 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1C 808070932 GHPBJJCJHJCTFV-UHFFFAOYSA-N 437.430 0.165 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)Cc2ccsc2)c1 810385204 YCCXMYYZTULDDB-UHFFFAOYSA-N 426.401 0.820 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H]1CCOC1 812225279 BXMJVBZBEWRNOR-IHRRRGAJSA-N 432.543 0.690 50 20 ICGD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814637327 VJMDLFDYUVHUBB-CJNGLKHVSA-N 442.480 0.994 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc(C(=O)OC)c1 815566042 HHPCQXJUVHOJLL-UHFFFAOYSA-N 440.412 0.656 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)sc(C)c1C 815692979 IBEKPFVCBPESNG-NSHDSACASA-N 434.478 0.482 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)nn1-c1cccc(Cl)c1 815693507 ZRDQNCBKJPMMRZ-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)n[nH]2)C1 816880731 QTYNVWDPVXXRDB-OLZOCXBDSA-N 444.496 0.749 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 912996091 UWWBSHHIHHWMJI-CYBMUJFWSA-N 431.449 0.998 50 20 ICGD COCCOc1ncccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 919739590 ZWNWJBGPVFOZDG-MRXNPFEDSA-N 431.401 0.251 50 20 ICGD COc1ccc(-c2nc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1OC 919883855 GABZWXYGGJONRJ-LLVKDONJSA-N 440.503 0.958 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885890 OZIURQOGBACNIK-GFCCVEGCSA-N 447.311 0.087 50 20 ICGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(F)cc2Br)C1 920239008 SAZQWNABYRXEGY-SNVBAGLBSA-N 437.291 0.956 50 20 ICGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 921295555 SMKJAYACOGCTNV-CQSZACIVSA-N 430.435 0.379 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1777716692 VQDDITJEVHDEMT-HACGYAERSA-N 448.904 0.500 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnoc1)C2 1778091046 KWAYZTOSFGRSLE-ZNUZEINGSA-N 442.476 0.936 50 20 ICGD CC1=CC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1778096221 IHLSAKBOUDSYBC-ZHRRBRCNSA-N 427.505 0.875 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1NC(C)=O 1780208682 DZPKLBGHWSQPAZ-JXFKEZNVSA-N 439.896 0.697 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1782179743 MHRIZUOMUZKZRQ-OIPACUDHSA-N 436.958 0.331 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210779 KKDIFZWLZQJGMH-VXIWKAIFSA-N 425.574 0.247 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccc(C)cc3)CCO2)C1 1783885327 ZCGDLEZGLUSRCI-UWJYYQICSA-N 437.924 0.809 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1OCCO3)CCO2 1783935031 OBLORUDPJMBVDF-JOCHJYFZSA-N 446.504 0.274 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1786557286 VCJMHMSEYBFZDH-UFYCRDLUSA-N 430.549 0.890 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccoc3)[C@H]2C1 1791729782 UATKKUWIDNAOSQ-SNRMKQJTSA-N 441.488 0.504 50 20 ICGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868897 VFSUDBDPKFEEAY-ZJOBFFGXSA-N 432.359 0.913 50 20 ICGD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cccnc1 1795678613 PMNIHDLYAOZTRQ-KRXQYRFLSA-N 425.327 0.846 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn1 1796188210 BTAPJPAXAMDTPQ-ACDBMABISA-N 437.305 0.655 50 20 ICGD N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190479 BGOCXJGPYHSCLY-ACDBMABISA-N 433.273 0.569 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1799866720 WNTCJZWSQFSSHW-DACLVMHWSA-N 433.896 0.379 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1800973784 GPOHXKWBVYLWJW-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccc(F)c13)C2 1801012569 ASENIDLZLFYEII-HBCWATKFSA-N 446.483 0.050 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374975 LUYSELZDAFZZJE-DNVCBOLYSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376267 UXBFMYRYYSLXBC-LAUBAEHRSA-N 449.272 0.480 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1813034848 YZSKVDWPDHPJJL-BFYDXBDKSA-N 441.985 0.825 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815339374 BKQKRUQTDXCVHQ-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667485 ZZJQFFMYOZZCCV-ONGXEEELSA-N 441.286 0.737 50 20 ICGD CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n[nH]1 1817475373 PBFCCMJJXTUFTG-GOSISDBHSA-N 436.281 0.995 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822368937 MDPCPRKAHHRYPS-HOCLYGCPSA-N 434.689 0.649 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824939039 IAAAHZMZQJMOLD-KWBADKCTSA-N 435.955 0.886 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)nn1C 1825895091 WSTNMMKVGQHFHU-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826118458 ABGDENHSKMROLB-SNVBAGLBSA-N 443.551 0.246 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049959 AIKQFOWCYTYGQY-SFHVURJKSA-N 425.298 0.042 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 1830726853 UOZSMYOXWMLEAO-XLIONFOSSA-N 440.899 0.913 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735731 MLQRQROMOZKGFV-RIFZZMRRSA-N 426.897 0.510 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833451774 XMXRWLFGOHZNFL-KXBFYZLASA-N 428.917 0.308 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380817 IVUTWXMOZSIAOE-PBHICJAKSA-N 429.315 0.371 50 20 ICGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834624122 SPPPOZDPQFRMRM-UHFFFAOYSA-N 443.386 0.965 50 20 ICGD CC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835116427 MSYVGYQHRQZVCE-KWXFCVSUSA-N 446.552 0.463 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835376675 CQFJHBSINKXSBK-FQEVSTJZSA-N 427.618 0.780 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656462 LLOLESCJEGJAFD-NHYWBVRUSA-N 437.360 0.243 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318858 CPRQFXFFYIGCKP-XHDPSFHLSA-N 430.807 0.566 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837640252 IQDAGXNNQCMROS-HNAYVOBHSA-N 427.933 0.636 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926854 YDADDNSUBFOASA-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838211498 RQXXXMFHGNFDNF-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838676000 KVBQFGHJFBKGNG-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908495 CMYLGDZPZISZNC-JOCHJYFZSA-N 443.504 0.001 50 20 ICGD O=C(c1cncc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202825 QVOYEVUWOJDKSL-CZUORRHYSA-N 432.246 0.548 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840036981 XGBASICEOIRTKW-DNVCBOLYSA-N 446.386 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1840182847 KDDGKEGPRPLFKN-BEFAXECRSA-N 446.495 0.251 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841557123 VPBURCMALUJGHQ-FQEVSTJZSA-N 433.273 0.377 50 20 ICGD COc1ncc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1F 1842214721 KNFQURHHAPJBLG-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD O=C(CCc1c[nH]c2ncccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015567 PSGALZWIJYVOGA-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cccnc2)C1 1843386465 ZWFGHIXDXXVKFM-AEIQVQRHSA-N 437.504 0.289 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845754853 KYXIHCWRJMVKSG-OEAKJJBVSA-N 439.476 0.452 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)CCO3)C1 1846098523 XRXRMIWTYOADTJ-UHFFFAOYSA-N 435.484 0.680 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)s1 17195821 GFUFUKWUFYHVOR-UHFFFAOYSA-N 435.487 0.151 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc2)cc1 726613979 NWAWDNRPHFUHSD-UHFFFAOYSA-N 446.485 0.976 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nccn2C(F)F)cc1 726710334 VGVDEJCMKIHNHH-UHFFFAOYSA-N 430.437 0.738 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)n1 728573383 OPSMWWYXJAHJES-UHFFFAOYSA-N 436.582 0.208 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 728598411 BCENEKGIKGRJRA-UHFFFAOYSA-N 442.400 0.981 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 729274927 HQXCHOZDHOVHBR-CQSZACIVSA-N 446.529 0.777 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2F)CC1 730133547 YRZRZDVIQNYURY-UHFFFAOYSA-N 446.483 0.821 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1csc(N2CCOCC2)n1 730204730 AHWCOPPUSMNLHG-GFCCVEGCSA-N 433.465 0.933 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1C 731489675 DGNGRSLUQQJXBA-UHFFFAOYSA-N 442.457 0.555 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 731491851 YHBGTSCFWZLYAY-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(C)n2n1 732259233 ASWBCRJQSAHEGC-RYUDHWBXSA-N 435.554 0.652 50 20 ICGD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744384751 OWHVAIGLSPYIHX-ROUUACIJSA-N 440.548 0.441 50 20 ICGD NC(=O)c1nccnc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 746184064 ASTBTKKWIPPLIF-GOSISDBHSA-N 430.468 0.964 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 746386095 MYCACPPXIFZNFC-MSOLQXFVSA-N 432.521 0.399 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)cs2)c1 747890228 GCLDVFDDQIVYKO-UHFFFAOYSA-N 433.489 0.320 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3sccc3-n3cnnn3)cc2)CC1 748620025 OCZHEWULBQSZCS-UHFFFAOYSA-N 448.534 0.417 50 20 ICGD COc1ccccc1CC(=O)N1CCC(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 749019201 WVENMLWISNYFKN-FQEVSTJZSA-N 438.550 0.610 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)o1 752781108 NHMAGOAQIAOTOU-ZDUSSCGKSA-N 433.442 0.986 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)Nc1ccccn1 758832148 TYQAXLUBDRYSNY-XOBRGWDASA-N 443.460 0.897 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763571502 JREQGPIHHRZMMI-KRWDZBQOSA-N 447.469 0.466 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763577131 GZNKSVCKGFAWEX-INIZCTEOSA-N 448.457 0.374 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1cccc2ncccc12 763818348 IJLGOQJMUACECW-UHFFFAOYSA-N 430.428 0.710 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1ccc(=O)n(C)c1 763881519 FXQRRJLSIGXUKD-JTQLQIEISA-N 437.250 0.701 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n1 763890932 IOQIRUQAAHAQRV-UHFFFAOYSA-N 440.504 0.841 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)C[C@@H](C)O1 763980179 WHWVCQBABXNTMI-CHWSQXEVSA-N 449.489 0.212 50 20 ICGD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 763998209 NDPBPJUYDLWBIT-VIFPVBQESA-N 433.433 0.663 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 764197565 FAZAUGMPTQNRKD-UHFFFAOYSA-N 430.509 0.662 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 764344299 ACKURQBGQXKWJU-UHFFFAOYSA-N 439.472 0.276 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 764350751 KJYGRZNUMLPQJW-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764367533 XOZGESCDERWRMH-INIZCTEOSA-N 438.440 0.195 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764368538 YJKVXMSCCSTINI-UHFFFAOYSA-N 440.456 0.462 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 765118385 CHEANIITYBJYMJ-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1 765737698 IEEPNTRANBWEFU-UHFFFAOYSA-N 425.445 0.087 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)cc1 766647912 HGCJUKVZAFFNOI-UHFFFAOYSA-N 443.508 0.800 50 20 ICGD CS(=O)(=O)[C@@H]1CCCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 767760951 UWSTVJNNERPXEK-GFCCVEGCSA-N 431.540 0.233 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cc(C)[nH]n3)n2N)cc1OC 768436485 HVWXFNQKZNBEHO-UHFFFAOYSA-N 432.466 0.261 50 20 ICGD CCc1ccc(C(=O)NNC(=S)NCCSC)cc1S(=O)(=O)N1CCOCC1 769764463 CSCGSSAEEXNOOL-UHFFFAOYSA-N 446.620 0.742 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1 770241021 JNPGBYVNFDHAEN-UHFFFAOYSA-N 441.491 0.202 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC2CN(C(=O)OC)C2)c2ccccc2c1=O 770425561 HPDQIIQXADAKEJ-UHFFFAOYSA-N 430.465 0.981 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 773082525 YJBKLXWUXKKENF-NSHDSACASA-N 444.473 0.318 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1cc(C)nc(C)n1 783325874 QPECBFGIWVZSTB-UHFFFAOYSA-N 434.478 0.625 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 783931762 YHMYCFHPLCPTLX-UHFFFAOYSA-N 426.477 0.534 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3ccc(-n4ccnc4)nn3)ccc21 788175694 YJYRQXWLURPNHL-UHFFFAOYSA-N 436.436 0.110 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 790765657 SZNQMUIOPQKXOM-UHFFFAOYSA-N 431.474 0.553 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 792810460 SXKICYSQWDYAAO-HXUWFJFHSA-N 427.461 0.473 50 20 ICGD CC(C)(C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)N1CCOCC1 801172568 UUPOAZPEWXJQSI-UHFFFAOYSA-N 437.972 0.716 50 20 ICGD COc1cc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)ccc1F 801738833 UOMRDVOGJCCSGU-UHFFFAOYSA-N 440.439 0.987 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1 802067621 XIHYMKYAWOOSKW-FQEVSTJZSA-N 432.502 0.880 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3ccc4c(=O)[nH]ccc4c3)CC2)cn1 806854935 UOWMDHLOKRBEII-UHFFFAOYSA-N 445.505 0.741 50 20 ICGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)c2ccc(Br)cc2C1=O 807381693 FCKSWGJPYVMKJV-SNVBAGLBSA-N 438.282 0.422 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CSc2ccccc2O)c1 810807251 LEDIYCNIITWWNB-UHFFFAOYSA-N 437.499 0.813 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C[C@@H]1CCCS(=O)(=O)C1 815289741 QDLVHSCYFTWYMD-NSHDSACASA-N 432.882 0.868 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1 817054172 WSXZKEXMLGDFHA-UHFFFAOYSA-N 432.568 0.878 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cccc(Cl)c1 845924353 YVRVWMOXNVCJBD-BHWMQLMCSA-N 431.832 0.451 50 20 ICGD COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 863965702 NUMVRXSMKSBHNZ-UHFFFAOYSA-N 447.521 0.682 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1=O 913573064 NUSOLVPNAHKYAQ-UHFFFAOYSA-N 447.448 0.202 50 20 ICGD O=C(NNC(=O)c1cccc[n+]1[O-])c1cccc(S(=O)(=O)NCc2ccccc2)c1 916105403 SVWMKLKBYPOQQE-UHFFFAOYSA-N 426.454 0.873 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(C)c2C(F)(F)F)cc1 916112413 JIMJSKZFKHQYLD-UHFFFAOYSA-N 433.412 0.829 50 20 ICGD CCCNC(=S)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125058 BYAGJBVPDOZZLE-CQSZACIVSA-N 444.579 0.858 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 916830681 OWTGZDVWSFPUCD-JOCHJYFZSA-N 435.440 0.474 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 918779181 DTPHZFVIDNMZIS-UHFFFAOYSA-N 440.420 0.359 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779309368 GXPIKYFDDACBRD-XTQGRXLLSA-N 429.315 0.550 50 20 ICGD O=C([C@H]1CC[C@H]2CCC(=O)N2C1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334451 NZIOBTRSMCCBKL-ATZCPQFDSA-N 446.317 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781933448 VYVIIKNUBPGIEM-FQEVSTJZSA-N 440.447 0.487 50 20 ICGD O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1782452040 OYGGSLYSRSTBTB-XNRPHZJLSA-N 432.294 0.873 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1783312911 YJIJZKDTQCEVAB-MHECFPHRSA-N 436.317 0.922 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092500 IXVYYVASTGXQIP-XQLPTFJDSA-N 433.933 0.479 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cc(O)ncn3)CCC2)cc1)c1cccc(B(O)O)c1 1788145113 NYSAWDBRNCUYGD-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789957218 MGJFFIXIJZMJPL-QZWWFDLISA-N 425.530 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]21 1791289414 YFZOHBGKRNEMLN-FHWLQOOXSA-N 431.537 0.367 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792483863 GBQIDAYCHISHBB-VLEAKVRGSA-N 432.344 0.957 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1ccc(F)cc1 1792979080 SYTUYXDSUXMRDX-YFUQURRKSA-N 441.887 0.192 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)CCOC1 1793115478 PBLUYSZPCGKHRS-SGQRUEDASA-N 445.944 0.908 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccncc1)c1ccc(B(O)O)cc1 1794215107 HJGMFRWEGYTDDB-BCDXTJNWSA-N 425.319 0.806 50 20 ICGD O=C1NCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](F)Br)C4)cc21 1795350490 MUNJXCFXQATPRM-WJZNIJOASA-N 428.262 0.569 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1799270076 PRZDIHLYLLARFV-FSDCSDTHSA-N 443.953 0.847 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1800763153 QGVGKZWSFXJPSI-ZRTFPUAOSA-N 425.327 0.888 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2)C(Cl)Cl 1801016352 BVKXZSBXYVRTAO-WDAIWFPHSA-N 426.260 0.096 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1804621701 OHBNZTRDCXANEF-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cncnc2)[C@@H]1c1cccnc1 1805791000 OBHRHMHRNNRVST-KXBFYZLASA-N 446.471 0.504 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192926 ZNRVKMQDLHFTIN-GJYPPUQNSA-N 435.601 0.532 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353292 ITJYXTCVASUBEK-NILFDRSVSA-N 433.831 0.667 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C)sc2C1 1813583249 ZRDXDZKWVZJERJ-ZFILKEQLSA-N 431.522 0.751 50 20 ICGD COC(OC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815034280 CJLPIDKOGRHUSD-AWEZNQCLSA-N 431.453 0.333 50 20 ICGD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)s1 1815188186 ZRDODNKKLUYWTI-LLVKDONJSA-N 443.319 0.401 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817115668 KCBJEHBESVRBAS-NOZJJQNGSA-N 438.934 0.320 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)N1CCN(C)CC1 1822697026 IPQQSSHVQJCIAQ-SGMGOOAPSA-N 429.974 0.291 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)CC2 1826008912 KALGZOFQLDTADQ-KEYDSSBGSA-N 433.914 0.925 50 20 ICGD CN1CCC(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826081463 RHFALGGXICCGBW-AWEZNQCLSA-N 436.582 0.770 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3cnc[nH]3)sc2C1 1826570274 AYFUPCDFFHCEHA-FUEXJSSKSA-N 431.522 0.865 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n[nH]1 1829012196 TVOQGPKQEFQICR-OAQYLSRUSA-N 438.337 0.874 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831657897 YXXNLHZLRIVAEI-JSGCOSHPSA-N 446.342 0.933 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831896992 XNNFLHDMCWTOSH-CHWSQXEVSA-N 427.851 0.884 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3(F)CCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800366 FCBLENQWMAMWNR-UHFFFAOYSA-N 431.317 0.444 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835168805 FBVSRLLSUUEVRL-MJGOQNOKSA-N 428.844 0.949 50 20 ICGD Cc1nccc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1835219723 BTGPTCFHMGMKGZ-UHFFFAOYSA-N 445.568 0.343 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)s1 1836082031 SRVDBRKPBFFUJO-GOSISDBHSA-N 442.614 0.697 50 20 ICGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)co1 1838139273 QXCVUNJPOYLXLI-CZUORRHYSA-N 434.262 0.998 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1838518584 XAFAJOLKWQYUJT-RHSMWYFYSA-N 448.289 0.922 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1840153155 GAXXYEYLAFAJSW-UTKZUKDTSA-N 448.907 0.954 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1ccccc1=O 1840188487 MQFDPJFKFXBFAT-SCLBCKFNSA-N 432.304 0.669 50 20 ICGD O=C(CCc1ccccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840545169 XDHBOBXIPLYBAR-FXAWDEMLSA-N 428.888 0.814 50 20 ICGD CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1841133479 JIOBYHCXTHUGSG-ZDUSSCGKSA-N 445.948 0.593 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841352498 SKGIGNHHQLXGMP-AWEZNQCLSA-N 425.825 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCn2c(=O)oc3ccccc32)C1 1841988522 LLWNAVWSHQSHND-UHFFFAOYSA-N 443.504 0.561 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1)NC(=O)NCc1ccccc1 1843344715 BSGGBBIFTYIGMF-UHFFFAOYSA-N 439.520 0.502 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nc3ccccc3n(C)c2=O)C1 1843744627 GGXAEDWZZOUUCC-UHFFFAOYSA-N 440.504 0.124 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1844263653 BUQDHUGIEPMAGP-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263705 KTBCXMFHRYHRMR-UHFFFAOYSA-N 426.477 0.740 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H](O)c2ccccc2Cl)C1 1846509356 RMUWSNYBLDEVCD-QGZVFWFLSA-N 443.891 0.889 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 26954449 QVNJWKRXPBHQDZ-UHFFFAOYSA-N 448.457 0.212 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cn1 729692350 RJTIDPAYQCKUSE-UHFFFAOYSA-N 439.519 0.981 50 20 ICGD O=C1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)=NN1 732259696 WRJGDMDCYFZCCW-UHFFFAOYSA-N 435.849 0.778 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1=O 733131967 VXUPGSPGDIMDRJ-CVEARBPZSA-N 436.534 0.184 50 20 ICGD COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 734807724 ANUWHUQVSMYEOC-DOMZBBRYSA-N 441.506 0.843 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCCNC(N)=O 736107312 AWZRGGVQEGILCG-UKTHLTGXSA-N 429.868 0.770 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1C 742033336 LTJVRHTTWWNDKS-AWEZNQCLSA-N 437.522 0.547 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1OC 742033527 RPIXKJWMOAPDRS-LLVKDONJSA-N 439.494 0.182 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 742039288 DAIDNZMLBMXWGB-GFCCVEGCSA-N 446.489 0.820 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 742231356 BDYPZWBJGBVBGC-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD COc1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc(I)c1O 743445502 XWNIHBWPPLTXNB-UHFFFAOYSA-N 444.185 0.899 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)C(N)=O 746184382 HEYNWKSICWUJST-VQTJNVASSA-N 437.500 0.141 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 751366412 ZDUAQHJMAZVGTB-UHFFFAOYSA-N 430.914 0.800 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1-n1cncn1 758142252 FWSOZAVNDGPRIQ-VIFPVBQESA-N 428.268 0.226 50 20 ICGD O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(-n2cnnn2)cc1 758649769 HSUORMNUIAXVCP-MRXNPFEDSA-N 434.460 0.655 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2c1=O 760450266 SIVDJXSLASEMSZ-UHFFFAOYSA-N 447.495 0.758 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnc(Cl)c(F)c2)c1 761937511 RQOVTVYMOIJBHT-UHFFFAOYSA-N 436.874 0.748 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccccc1O 763531872 SRQCIJOZVCJEDX-UHFFFAOYSA-N 442.428 0.415 50 20 ICGD O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763687028 YSZOCKCXXITVSV-UHFFFAOYSA-N 433.852 0.737 50 20 ICGD CC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763803243 KDNCHNGTKNJSBZ-UHFFFAOYSA-N 429.389 0.742 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 763807720 QOSVRMSPJDATQK-UHFFFAOYSA-N 425.376 0.747 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC#N)c1 763884748 XUDKSFQBUYBGIZ-JTQLQIEISA-N 435.238 0.723 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C[C@@H](C)O1 763993285 NFJDQPDGPKAQIP-OKILXGFUSA-N 427.461 0.674 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(Br)c(F)c1 764001810 FIOBXHMNYDHXBD-LURJTMIESA-N 440.222 0.248 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(N2CCOC2=O)c1 764007016 XKVXWXGDUHMVAF-UHFFFAOYSA-N 426.385 0.814 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)CC1 764170124 ZCISINJARUURAA-FQEVSTJZSA-N 437.500 0.918 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cn1 764288531 KAOIUTXIGXVUJC-UHFFFAOYSA-N 431.449 0.606 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 764879157 WGKBJDVTQXZHCN-UHFFFAOYSA-N 442.513 0.632 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 765586409 SWAVCXFLOCMLBM-LBPRGKRZSA-N 436.450 0.488 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 768571193 NYQMBIVQKIIIPF-LJQANCHMSA-N 435.506 0.516 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C(C)(C)C)n1 768947766 BUMVDJVQLJOUHF-UHFFFAOYSA-N 426.521 0.937 50 20 ICGD N#Cc1ccc(OC2CCC(NC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)nc1 769028936 IMIHPGIGCJOWSV-UHFFFAOYSA-N 426.433 0.997 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3C(C)=O)cc1 769250882 BZQKHVAVODPUIF-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2c[nH]c3ccc(I)cc3c2=O)cn1 772691033 SFVLGANMWUPNME-UHFFFAOYSA-N 437.197 0.941 50 20 ICGD C[C@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 777941031 YBRJSJCEIRBZKK-HNNXBMFYSA-N 429.974 0.665 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 778712490 OBBZIFXKTIJZOG-XJKSGUPXSA-N 441.868 0.789 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNc2cc(Cl)nc(N)n2)CC1 779375220 NASXPXGAKNFUTQ-UHFFFAOYSA-N 429.890 0.861 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(F)cc3F)cn2)C[C@H](C)O1 783340004 IMMBAXZSSFINKS-RYUDHWBXSA-N 436.419 0.879 50 20 ICGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n1 784003307 DVXDCXXIJLIDHF-UHFFFAOYSA-N 441.473 0.462 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 784916256 WBWICJMUIDZYEY-UHFFFAOYSA-N 425.511 0.801 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 786970955 YELBCDQXVKSUSH-SDNWHVSQSA-N 430.442 0.524 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1ccc2c(c1)OCCO2 791308176 KBILJRQNOYTSKU-UHFFFAOYSA-N 431.430 0.074 50 20 ICGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 795285773 YNJMSGSPUUKDKV-UHFFFAOYSA-N 446.445 0.471 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 802720524 INAJGOPPFWYRFJ-HNNXBMFYSA-N 442.471 0.248 50 20 ICGD CCOC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 803650859 OWZOZACXIGMPSB-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(F)n2)cc1 807390462 CWGSTWBDSJLPLZ-NSHDSACASA-N 425.442 0.616 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCNC(=O)[C@H]2Cc2ccccc2)cc1OC 815139861 HEXFJPJDSALQDN-GOSISDBHSA-N 440.500 0.898 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)nnn1CCOc1ccc(F)cc1 815569349 PWMADNQZLTYEBT-UHFFFAOYSA-N 441.423 0.528 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 815571153 WQOZIXNVNVIQHY-GFCCVEGCSA-N 438.238 0.136 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CCN(C4CC4)C3)nc2)CC1 916577748 FGPSMPOYEWARDI-OAHLLOKOSA-N 437.570 0.128 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(NS(C)(=O)=O)c1 918087539 UDVDIFBFJHFXSG-LBPRGKRZSA-N 444.477 0.739 50 20 ICGD C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1781253864 YBAZCGVSDBCHDY-IGICKNSGSA-N 432.427 0.836 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1O 1782126766 IDHUFETZILVBIH-QFBILLFUSA-N 425.869 0.394 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1783534444 UXTLOGZDNOBNOV-PXAZEXFGSA-N 425.283 0.633 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1783870207 VYUOANBPCHAIDB-VQIMIIECSA-N 444.937 0.787 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1783883812 YUATWHKMXGTUQT-YWZLYKJASA-N 436.896 0.976 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1783935589 WAUNWBIMOAFBGG-NRFANRHFSA-N 428.493 0.151 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1F 1784095899 ONRHCVJKKSWCFF-KMCQBPLKSA-N 428.888 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3Cl)[C@H]2C1 1788803744 PTUSIOIUYZEEQJ-QRTARXTBSA-N 437.928 0.701 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CCCN3)[C@H]2C1 1789824766 UQDGRDLMJRPIFJ-WTXOVSDVSA-N 444.536 0.242 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1789871758 JBXOCXKRKXGFKL-CKENWRIRSA-N 441.377 0.780 50 20 ICGD C[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795736877 OWODVBGVCBQZML-GJPCKUABSA-N 436.317 0.763 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(Cl)ccc1F)C2)c1cccc(B(O)O)c1 1795737175 AHCVSNZJPOWQAX-FVCICTRLSA-N 447.659 0.071 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3C1)C2)c1cccc(B(O)O)c1 1795741317 UVCHUUCCNNIFAX-CUDBPUKSSA-N 448.328 0.375 50 20 ICGD Cn1ncc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cccc21 1796189026 NNYMPEXHWGQZDV-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)c(=O)nc1O 1799282634 RACPJIMVCHFOCG-AZGFTEDZSA-N 447.319 0.083 50 20 ICGD NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1799625263 OVVQOWBIKNVGBT-DJBIQUGXSA-N 428.258 0.679 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1807196672 NIFWAIQMOQXYLV-CTHBEMJXSA-N 444.305 0.371 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n(C)n1 1807369477 LACVVFCVTOKTKB-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807373760 AHGQLARQROXIAN-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD O=C(CN1CCCCC1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809529653 WNKRRZFTOZRTJQ-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809606703 VAEDKKSNQUEYSU-WSTZPKSXSA-N 437.972 0.589 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813009334 MBYCNMOLSWNMQO-NYSBEXSLSA-N 437.305 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1 1813072213 BSRPMWMVHYZNIE-GHTZIAJQSA-N 440.504 0.408 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1813179400 VNJIKLBOPPQHKI-BLLLJJGKSA-N 425.272 0.816 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067175 VCZIVWARCMWLOV-BEPCFFQHSA-N 436.365 0.884 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(O)c1)CC2)c1cccc(B(O)O)c1 1815361361 AJZSJLDJVJUOES-CQSZACIVSA-N 438.274 0.463 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnn1 1817476022 ZVYKHFXJUZNDHX-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)nn1 1821073120 MZPLTKLIRORDFZ-LLVKDONJSA-N 447.521 0.541 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)ccn2C)[nH]n1 1822415090 SFORVDWSCCSELD-MRXNPFEDSA-N 443.508 0.787 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nc1)CC2 1826088636 HPBQBTQMFOUYNE-GFCCVEGCSA-N 432.506 0.843 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051795 FTRZIHCKDZRRCB-OXJNMPFZSA-N 441.337 0.290 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830534943 FKEXETLVKJHQOG-YRBFXIGRSA-N 435.359 0.881 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1830539539 IDKYKQQLLBXPQH-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD Cc1ccc(OCCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719235 AWJPABPDTVCXNA-WIYYLYMNSA-N 440.924 0.820 50 20 ICGD CSc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731992 OKIOXKTXDJGQIA-RDTXWAMCSA-N 429.926 0.473 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572467 KAHYGWWCKYLWLD-ACJLOTCBSA-N 430.864 0.870 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)c1ccc(B(O)O)cc1 1834798609 QKLPOZCXEZMCNW-QGZVFWFLSA-N 425.697 0.086 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835008672 SDACFJDNFCHDQV-APWZRJJASA-N 431.316 0.939 50 20 ICGD CC(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734459 KBABDZARGUQRPT-UHFFFAOYSA-N 446.552 0.295 50 20 ICGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412764 TVYMZPACPHKLMS-CYBMUJFWSA-N 438.367 0.875 50 20 ICGD Cn1ccnc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837535192 IFAWPFFFGGTBNW-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD O=C(Cc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198199 WZRSJQHOWHMPRD-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1 1840904696 OVJYSDAWRDBCCE-PXNSSMCTSA-N 441.887 0.716 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843012914 SHHGRTGQVMICKR-UHFFFAOYSA-N 443.309 0.241 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1N(C)C 1845114408 JQVCJZGVAYXHDO-UHFFFAOYSA-N 437.305 0.572 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846958153 YKNMOWAPWLDCHW-UHFFFAOYSA-N 446.508 0.417 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)c1ccccc1 1847728906 CIQWAXDHJYCTIX-ROUUACIJSA-N 429.521 0.333 50 20 ICGD O=C(COC(=O)CCNc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 11315132 JYQYRUYUBUVODB-KRWDZBQOSA-N 444.400 0.927 50 20 ICGD CCOC(=O)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 725899696 OXKKLXTYTCTLBM-UHFFFAOYSA-N 428.511 0.945 50 20 ICGD COc1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 728342965 KQMFZIKVCJMYPN-QGZVFWFLSA-N 445.384 0.677 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 732328363 XAYMKVVXIDEPPR-AWEZNQCLSA-N 426.385 0.952 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 733515949 HEYVTQLGXSDHEZ-QGZVFWFLSA-N 426.408 0.909 50 20 ICGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 735030113 CNJOBYYDBLMYOU-ZDUSSCGKSA-N 444.473 0.542 50 20 ICGD NC(=O)Cn1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)nn1 742474907 OKIUNASFFZIIGJ-UHFFFAOYSA-N 431.416 0.086 50 20 ICGD COc1cc(C(C)=NNC(=O)Cc2cc(O)nc(O)n2)ccc1S(=O)(=O)C(F)F 743446443 YAMJJQWDFBAPTF-UHFFFAOYSA-N 430.389 0.976 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 743512635 XPNZVSWIFIOWTC-NEWSRXKRSA-N 446.471 0.763 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)c1 744815924 MGKUONPXQLYCLN-UHFFFAOYSA-N 430.380 0.665 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cc2C1 746099990 DJNDMHNUXPEBMT-SECBINFHSA-N 439.519 0.039 50 20 ICGD O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)C1 748214733 ITZANCHOUYSVMN-GUYCJALGSA-N 445.453 0.437 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNc3nc(Br)cn4ccnc34)[nH]c21 750243475 JFDAPHGIRVCUES-UHFFFAOYSA-N 448.241 0.243 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3-n3ccnn3)cc2)CC1 752634073 JDUHTKUYFHJOGQ-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CCOc1ccc(-n2c(SCC(=O)NNC(=O)CO)nnc2-c2ccncc2)cc1 753444779 AUCBPAIMZHDYBV-UHFFFAOYSA-N 428.474 0.960 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(Br)s1 755056741 QQCODDZRBDMICQ-SSDOTTSWSA-N 436.313 0.372 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2C(C)(C)C)n(C)c1=O 755394704 XNWXWPBXVLIVAU-UHFFFAOYSA-N 427.465 0.584 50 20 ICGD COc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(OC)c1Br 757905767 XJOXINUFRZKMSA-SSDOTTSWSA-N 439.288 0.557 50 20 ICGD C#CCCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758880288 OHJXRYISKAAXSH-UHFFFAOYSA-N 436.534 0.774 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccnc12 763479145 RJTPUKCMDROVPG-UHFFFAOYSA-N 435.400 0.872 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccnc2OC)c1 763508358 GSVXBXVNBKBNQT-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)no1 763511512 GMNMUKAKZUXWRB-UHFFFAOYSA-N 449.489 0.811 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cnn(-c2ccccc2F)c1 763575458 VXVFDUIDOAMLAB-QGZVFWFLSA-N 425.376 0.937 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763646587 IJMKJKUQCPKKKG-UHFFFAOYSA-N 439.421 0.403 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 763796761 GUHACIHPAABSPY-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763864373 BZJDLLCANWAHFH-LBPRGKRZSA-N 432.408 0.964 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763867197 STKOOYQYNYEZOI-JTQLQIEISA-N 441.412 0.922 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)ccc1C 764114523 CTWDNQNJRKUBDW-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 764130071 AJFGCJFRVXXQSZ-UHFFFAOYSA-N 434.474 0.274 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)cc1 764132296 SHVHAXPBSODQMI-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)cc1C 764233358 VSLHBTMTWZQIKT-CYBMUJFWSA-N 449.489 0.514 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)ccc1C 764267176 AQJHODNKDNUVOV-UHFFFAOYSA-N 447.517 0.749 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1C 764281332 SKAFREPWHNDAHE-UHFFFAOYSA-N 434.474 0.375 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1 764358929 PJOCFSHTODUZHX-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD CCn1c(SCC(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)nnc1-c1ccccc1 764750182 WRYNRFRCKUQCPL-UHFFFAOYSA-N 427.490 0.605 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)C1CCC1 765490250 KWQXHWHLYAWFEY-UHFFFAOYSA-N 440.497 0.386 50 20 ICGD COc1ccnc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 765732124 GMHHQBZQDLWXIY-UHFFFAOYSA-N 447.517 0.166 50 20 ICGD COc1ncnc(OC)c1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766650462 UJRIGCBNOIWUFN-UHFFFAOYSA-N 428.493 0.381 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 770537489 RBJWMIZZNBAAOV-DOTOQJQBSA-N 439.944 0.844 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783263088 HFRRBLAKMFRXOA-UHFFFAOYSA-N 434.478 0.809 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ccc(C)nn3)cc2)CC1 783948275 XPMZQTFOSBFLJM-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789732819 YMYWBBUQSNLZDG-FIQHERPVSA-N 426.520 0.567 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc2ncccc12 793456022 JURSXUAIVBYGJH-FQEVSTJZSA-N 425.445 0.611 50 20 ICGD Cc1c(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1C 794210483 IZCPKAWHYKXUCE-UHFFFAOYSA-N 449.533 0.072 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 797400385 ZLCFUANFJGEKDY-LJQANCHMSA-N 448.457 0.811 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC(S(N)(=O)=O)CC1 799860151 WSZSNMMVUBPCMV-JTQLQIEISA-N 449.327 0.710 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1F 802565841 MWDJUGQTVQMQAY-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CC1=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)SCCO1 806306048 CZDCTWJNJSTYHC-UHFFFAOYSA-N 427.504 0.463 50 20 ICGD Cc1cc(I)cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 806683082 YICFSCYEUMTWSV-QMMMGPOBSA-N 440.263 0.690 50 20 ICGD Cc1oc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N(C)C 812732675 PNBXQMHUIQHNHK-UHFFFAOYSA-N 430.508 0.846 50 20 ICGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 814732129 YYDDQIADCRXKMH-CQSZACIVSA-N 443.547 0.447 50 20 ICGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692140 KAOCNWHURQUKNP-CQSZACIVSA-N 443.533 0.488 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 816716511 OZYAGUHDSVXBCR-NSHDSACASA-N 434.312 0.798 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](CCC)S(N)(=O)=O)c2ccccc2c1=O 816828356 CANCHHWVDRHSNJ-OAHLLOKOSA-N 437.522 0.805 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 817053684 BXBWHTSPIIAPNK-OAHLLOKOSA-N 435.428 0.954 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2cnc3ccccc32)cc1 913495758 CVLDOQUJIBOUHH-UHFFFAOYSA-N 429.458 0.365 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 916830556 GULCRBGLXDBNTM-UHFFFAOYSA-N 440.428 0.728 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 919812885 KEOROBJWIWLKOI-UHFFFAOYSA-N 427.460 0.242 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCOC[C@@H]2C)c1 1115996811 VIEQGSXJIAFBOF-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD Cc1ncncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1317903542 MCQVQBJCLPQVJP-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCN2C(=O)COc3ccccc32)c2ccccc2c1=O 1321432627 DTLYSAQWIPMDHQ-UHFFFAOYSA-N 436.428 0.303 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)N1CCN(C)CC1 1781102390 NONCMSLBRZOKBA-VKJFTORMSA-N 431.375 0.236 50 20 ICGD C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1781804757 NMYBAQWFKPJEPT-VQIMIIECSA-N 440.227 0.612 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1782863974 DPDMBZFTUOTXCO-QLKYELJLSA-N 442.426 0.993 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783348099 VDORBFNKWWLFLY-BDJLRTHQSA-N 429.271 0.505 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1783973401 AEXPNFWCBPOCDG-QPSCCSFWSA-N 441.326 0.866 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746072 DRHTUVACAZSEDY-BZSNNMDCSA-N 427.618 0.540 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787044945 JUQPZHUXZMKPNG-VRKREXBASA-N 427.343 0.973 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152700 ZTZJYIDEPSTZCY-MEDZGJRSSA-N 444.941 0.449 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc(O)nc(O)n1 1787440361 PVYSBYJHQYDIQT-PRLGWJNPSA-N 433.234 0.172 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925543 GNKSNVFJHSSSOJ-HTVCTNPSSA-N 432.294 0.584 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C[C@@H]21 1791249388 KCGPKFLAZRJHEU-UYLCUJDWSA-N 430.929 0.809 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2)[C@H](O)CCl 1792978252 MSTJNVIRGYCWFI-YHYOWMERSA-N 427.288 0.791 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)C1 1793116466 OTJVVWVBWMERJU-YJVQVXSTSA-N 445.944 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1793631402 GCGSRWOGZLTOHN-NPJQDHAYSA-N 445.944 0.839 50 20 ICGD CC(=O)N(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793994826 JSTCVZMPQQZPIW-DZBUXLHASA-N 430.509 0.627 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)cn1 1794702996 HYNMZMBPKUPFMD-OBAMXFLESA-N 439.476 0.122 50 20 ICGD Cc1ccn2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cnc2c1 1796193165 PVVNZVUKLFVXDF-REPLKXPHSA-N 432.289 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3c1OCCC3)C2 1798443041 OIIYLMOJMUZCBL-BTTYYORXSA-N 439.476 0.230 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS[C@H]1CCCCO1)c1cccc(B(O)O)c1 1798480120 QVHAGAXAZNOBKD-DMUMMCEESA-N 432.351 0.878 50 20 ICGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)ccn1 1798684405 ZQQILZJVPCMCHR-XRGAULLZSA-N 425.869 0.061 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798859415 REXVPCTWNMMSJA-IRLPRSGCSA-N 448.483 0.895 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800085957 HJOWGVCTGZGRGD-ACDBMABISA-N 449.316 0.874 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2 1801011431 KVRKBFVLLUJMBQ-DPIQGUFMSA-N 434.522 0.201 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804415375 LIHVLCIQGXOHDR-LXZKKBNFSA-N 436.856 0.492 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)C3CCC(O)CC3)CC2)C1 1809972112 BUVUHIFSXFAHBU-UHFFFAOYSA-N 428.338 0.762 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979744 AHPFWKULVNBVPR-UHFFFAOYSA-N 437.305 0.555 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1810297903 GBGVDQXKXJRCBQ-MAUKXSAKSA-N 446.471 0.504 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811084029 XNRZLPZDKXEBGZ-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)c1ccco1)CC2)c1cccc(B(O)O)c1 1815347962 ZWHUNCVNACKWBW-CXAGYDPISA-N 441.274 0.375 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1)C(=O)O 1819404470 NANJNSDRCHLTMK-QIENPNARSA-N 441.448 0.745 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824562342 SZEXMBKEKTZFGW-NXEZZACHSA-N 441.897 0.884 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cs1 1826963517 BTXLBMXKIKUUCR-GOSISDBHSA-N 442.350 0.952 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060105 AZRPSRIEJBQCIH-FQEVSTJZSA-N 438.337 0.956 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828783230 JTHARLJLJIJEPQ-GEFUHLBYSA-N 448.394 0.758 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523378 ZNBWWLBVIIYMBA-GUYCJALGSA-N 433.292 0.454 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829582414 BHUUKNZVTHZRSY-KBXCAEBGSA-N 448.303 0.413 50 20 ICGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)[nH]c1C 1830358977 SSPHBMYMJVOOCO-FQEVSTJZSA-N 440.928 0.722 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1830535020 GQYJLNZCPNSBJP-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738579 QCWQMYPVNVUXIF-YLJYHZDGSA-N 428.888 0.814 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831880627 BKHXOHJEMGNWPT-UZLBHIALSA-N 425.913 0.863 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1=O 1831883947 NBTUCDBVLJPQCA-SFHVURJKSA-N 442.310 0.240 50 20 ICGD O=C(c1ccnc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831905012 OPBDFCYELNBYMS-BBRMVZONSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832207847 AEJZPQHXJHLATQ-FOIQADDNSA-N 435.912 0.905 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832937275 PERBRSNQROXFLV-NFXIUMSZSA-N 445.524 0.408 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1834421648 AZFHUVRLSUOJIP-UHFFFAOYSA-N 427.347 0.635 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835976627 SXIOEXIONGVZNP-OAHLLOKOSA-N 425.700 0.797 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1837717628 JRYDCRUSQDISKE-SGSXCFNPSA-N 434.569 0.798 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cccnn3)CC2)CC1 1837919302 WUVLUNJJQDJPBZ-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1837958476 YWBRHWQNDODUBU-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339955 DSNROLIHHBXZDO-SUMWQHHRSA-N 428.283 0.173 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742193 WNBJHWYAPUSHAY-SJKOYZFVSA-N 425.283 0.740 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840030580 PPABBFYJOXFMIG-RDTXWAMCSA-N 443.342 0.511 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840151318 YGJBBELXJBHJTI-TXTJOAKRSA-N 432.945 0.495 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193506 JREILHMNGYAKNN-HZPDHXFCSA-N 443.349 0.497 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840248438 HHPIMAOZJNGRNL-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842354561 YIUSYBPZMUEFLA-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C(=O)O 1842949786 PSNFPMXRJJJCBH-STQMWFEESA-N 446.932 0.385 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)n(C)n1 1843415664 YEFSXPXFWYMRDX-LPYMAVHISA-N 427.465 0.380 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)[S@@](=O)c1ccccc1 1845775829 OGEAUQNOXFULAJ-AZYRPFHASA-N 440.330 0.380 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846229602 NRVOJRCOCIEQPN-IQUTYRLHSA-N 445.944 0.550 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846383981 ONGZMZGITDMWNK-AWEZNQCLSA-N 425.530 0.476 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1846920533 LTSIIGANTJNHHT-UHFFFAOYSA-N 435.289 0.199 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1847553515 ILYBHIKKARHMND-UKZVOZDVSA-N 443.504 0.912 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1OC 725874428 ZAJFPHRGRYJXRL-UHFFFAOYSA-N 435.462 0.561 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc2ccccc2F)cc1 726008138 HQNJSCRGACAOGV-LBPRGKRZSA-N 425.438 0.728 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 728209001 CMBRROZPUQXJLO-MRXNPFEDSA-N 449.533 0.826 50 20 ICGD O=C(COC(=O)c1ccc(Br)cn1)NNC(=O)[C@@H]1COc2ccccc2O1 728343917 QBFDODRDCKAFLC-AWEZNQCLSA-N 436.218 0.988 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(F)cc2NS(C)(=O)=O)n1 728729905 XIOCDLYBJKXBPC-UHFFFAOYSA-N 444.466 0.509 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=S)Nc2ccc(OC)nc2)cc1 729691997 HCIKELGETPOWBU-UHFFFAOYSA-N 439.519 0.646 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 730208606 MMKFRZQEBLCATL-UHFFFAOYSA-N 425.488 0.465 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2ccccc2c1=O 731453885 RNGUPSLPPVOAAF-UHFFFAOYSA-N 448.399 0.980 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccccc2c1=O 733884668 GGFRNIFKJCUMEA-HNENSFHCSA-N 438.444 0.484 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2cc(I)ccc2-n2cnnn2)cn1 735445083 FKJHOMDIHOMJJJ-UHFFFAOYSA-N 438.189 0.075 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)COc1ccc(C#N)cc1 735585181 BIOXTPXKJQLHCB-KRWDZBQOSA-N 437.504 0.873 50 20 ICGD CC(=O)Nc1nc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cs1 744621155 SIEPZTXSLWGICO-UHFFFAOYSA-N 425.492 0.879 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NNC(=O)N(C)C)cc1 746014675 LBGNSOZABNESOP-GXDHUFHOSA-N 425.449 0.643 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751201951 NUOCIAIMOGCYJE-OAHLLOKOSA-N 428.445 0.860 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cc2C[C@@H]1C 751279468 JZDPPVULTKJSQK-NSHDSACASA-N 436.515 0.785 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 758692611 UHARSICPZIQIEM-UHFFFAOYSA-N 440.409 0.917 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)c1Br 760158984 NJPQXXQHBNDCTM-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCCc1cccs1 763044749 RGDPERFZJHYQCJ-GFCCVEGCSA-N 438.531 0.684 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1C 763950884 WMWGFJLIQYWZHV-UHFFFAOYSA-N 436.428 0.646 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 764131492 PPSCSHJMXSFPFS-UHFFFAOYSA-N 428.445 0.491 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c1 764132336 NFFKBEVTUAGOBG-UHFFFAOYSA-N 431.401 0.742 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 764152727 UNMPNWYLWFAJNM-QGZVFWFLSA-N 436.424 0.820 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764314544 YPGYGHZVXFUCTB-CQSZACIVSA-N 426.404 0.360 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 764393647 KEPGHKLGVMIUQL-UHFFFAOYSA-N 427.446 0.549 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1-n1cnnn1 764404181 GKXRRLPZCBMFKZ-UHFFFAOYSA-N 443.445 0.255 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 765374653 VZYXINGMTXRFAN-UHFFFAOYSA-N 427.483 0.253 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767269913 IPLABEUOKWDZDN-UHFFFAOYSA-N 433.486 0.840 50 20 ICGD O=C(Cc1ccnc(O)c1Br)NNC(=O)c1csc(N2CCOCC2)n1 770813652 MTEDBMMROOJJAR-UHFFFAOYSA-N 442.295 0.847 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772197267 WCGYFNRZDCTCFF-UHFFFAOYSA-N 448.888 0.329 50 20 ICGD O=C(COc1ccccc1Cc1ccccc1)NNC(=O)NCC(=O)N1CCOCC1 776638402 UUMASZGXRNJPSW-UHFFFAOYSA-N 426.473 0.845 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 777938662 AEGUKNJYFLHYQV-UHFFFAOYSA-N 440.482 0.228 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccncn1)N(S(C)(=O)=O)CC2 779368999 SHFOYIRZHLPOSH-HNNXBMFYSA-N 449.489 0.204 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)nc2ccccc21 782894676 SBVQDTRWLQDDAU-UHFFFAOYSA-N 436.428 0.859 50 20 ICGD O=C(NNc1nnc(-c2ccccn2)s1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 788563960 YKKRWAAAAVCKAV-UHFFFAOYSA-N 441.458 0.768 50 20 ICGD O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 792772800 NRDNJUPKSYEWAQ-UHFFFAOYSA-N 443.485 0.588 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1 799834419 FAJMOWSZGQVMJY-UHFFFAOYSA-N 436.494 0.207 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)cc1 800622257 IZKDOYLIQONEBW-UHFFFAOYSA-N 425.445 0.125 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1C 807528548 QOJYDXQIBLOKSS-OAHLLOKOSA-N 425.511 0.386 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1N 813576190 MUSVDSZBZRSCTR-UHFFFAOYSA-N 427.512 0.293 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)sc2C1 815690997 BVAOKAIONNVAKL-VXGBXAGGSA-N 431.522 0.988 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c2ccccc2c1=O 914837525 LVRJSMIQANFEER-UHFFFAOYSA-N 447.473 0.725 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(O)nc1=O 915057905 KYNAMRXBUWHMDD-UHFFFAOYSA-N 431.412 0.808 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 920298043 XYJFAAADARIXKO-CYBMUJFWSA-N 428.474 0.633 50 20 ICGD COCCCNC(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 920833509 SEVXTQQVCMXBIK-UHFFFAOYSA-N 431.540 0.245 50 20 ICGD O=C(NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C1CCN(c2ncccn2)CC1 1251629041 HHZJSDQSCQQISY-UHFFFAOYSA-N 445.524 0.005 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1F)C2 1778092749 OOUXCQPJONFOEL-RUPBUSRUSA-N 433.484 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1779032595 NVGLHYANYSPBTR-FQEVSTJZSA-N 446.414 0.116 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782281045 CPPDQJHQNOYCMH-SJKOYZFVSA-N 427.299 0.893 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783326642 CSAMUADWJBBBBD-HSZRJFAPSA-N 438.289 0.061 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785630887 FNSAQMKWIRXDCH-MMNXLFCMSA-N 432.304 0.915 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788493967 FDLSWBCOILWOLE-AROZOGBKSA-N 442.354 0.832 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCCC1(F)F 1793481874 YRESZANNOAVHKO-CYGHRXIMSA-N 436.264 0.395 50 20 ICGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1794933979 XAVARKHIFFAIQI-IVWMJMPLSA-N 442.476 0.314 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CCc2ccccc2[C@@H]1O 1796189670 OAWHTJAKFJDMGK-PMNYKWLYSA-N 448.328 0.914 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796299323 YGWBYBDBCUBSCD-QRJUGERDSA-N 447.960 0.869 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1796389037 GWIZMDJNMVRXDE-IVSAIRAKSA-N 447.923 0.731 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(C)c1)C2 1796441261 PDSCPPOZHJBDPR-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD CCCc1onc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796615291 PEODRFIUNKNNRL-YVWYUNDQSA-N 435.525 0.512 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2)[C@H](F)Br 1799350052 QLUACDNOPXQHPH-MBLNEYKQSA-N 435.168 0.372 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1800973813 HUSFYVMNDRCTSG-DFGXFYAUSA-N 445.907 0.996 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc(OC)c1C 1801832290 XZDUBELXWYOSSN-KRXQYRFLSA-N 426.897 0.815 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2OCCC3)[C@H]1c1cccnc1)[C@H](O)CCl 1803147008 FXKUHMVXNBNNGH-UAGQMJEPSA-N 433.896 0.980 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374224 FRPIFWTXDKBDHS-JQHSSLGASA-N 429.232 0.736 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374538 HSRJPRNLBXGEST-XLIONFOSSA-N 433.277 0.426 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807806616 VXBTXXXAUQIORR-BEFAXECRSA-N 428.497 0.201 50 20 ICGD COc1cnc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cn1 1808773287 VXKHOFBVNOPUAK-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD O=C(CN1CCSCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968043 SAGKPFONRJCQPK-UHFFFAOYSA-N 445.394 0.260 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1813030619 DTPLBWYRXAJIEJ-XSLAGTTESA-N 440.928 0.492 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344016 CEDLDQXWOMMGLF-AWEZNQCLSA-N 439.306 0.702 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cc[nH]n1)CC2 1819800349 NQLTYPQRGXEPDO-SNVBAGLBSA-N 440.489 0.333 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)[nH]n1 1822372849 OZOYUCYBQYOOBN-NWANDNLSSA-N 429.905 0.807 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824788789 JWTNTYBDGSQTQQ-SFTDATJTSA-N 427.354 0.694 50 20 ICGD Cc1nccn1CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089633 IKYAOAHYLLFEOB-ZDUSSCGKSA-N 433.538 0.633 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831346175 SDYSGRYKMZQWQG-DENIHFKCSA-N 447.919 0.833 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833709452 WNTQBCMIPGEYBD-GTNSWQLSSA-N 447.305 0.721 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CN)CC2)CC1 1834659257 XZWUCRWPOSBLDG-SXJXFNOXSA-N 445.568 0.287 50 20 ICGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835743033 GLUUSMQRHHWHGL-MRXNPFEDSA-N 448.033 0.296 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838723651 ISCRESYRDZAGIC-ACJLOTCBSA-N 448.303 0.413 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1839895840 YFHNWPBJMOGDPK-GUYCJALGSA-N 447.326 0.427 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153649 WUIXADOMYRZGIG-CLCXKQKWSA-N 433.933 0.001 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840156846 WBMYHKUZXCTPBF-JXFKEZNVSA-N 439.896 0.109 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C2(c3ccc(O)cc3)CC2)C1 1841381082 WWMGXKAXLMLXFH-UHFFFAOYSA-N 435.484 0.940 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)N1CSCSC1 1843011636 YHLKAUOWTTVNGP-AWEZNQCLSA-N 435.380 0.226 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(Cl)cc3nn[nH]c23)C1 1844750984 URIJYCSKVKUMIV-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090301 NBTVPLGXKBQLOY-OLZOCXBDSA-N 430.933 0.976 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cc1F 1847371163 UTWGFCNSHPJWMO-IRXDYDNUSA-N 427.436 0.962 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847631460 WSCUFFUYWCIXFP-BJLQDIEVSA-N 431.537 0.551 50 20 ICGD CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889810 BFYGKGYPDUWFCD-UHFFFAOYSA-N 430.486 0.941 50 20 ICGD O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1cccs1 725958062 YJBZGJUBYXXEMQ-UONOGXRCSA-N 435.433 0.467 50 20 ICGD C[C@@]1(NNC(=O)NCCCNC(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 726711000 CALRENGYKYFPQT-MRXNPFEDSA-N 447.355 0.950 50 20 ICGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1I 728022759 UZFQXKWACTXHAW-SNVBAGLBSA-N 437.259 0.731 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728731328 PLVOLOBULXZWFX-UHFFFAOYSA-N 440.503 0.760 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240264 LWTMIKUNBKRNHF-NTCAYCPXSA-N 430.469 0.835 50 20 ICGD CN1CCN([C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c2ccccc2)CC1 734241059 AWXHNSYBLIXSCO-QGZVFWFLSA-N 434.541 0.830 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1 743263903 KEGZIHALADOFNO-UHFFFAOYSA-N 448.320 0.981 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 744621800 GRXJKDJFGHVHRA-HNNXBMFYSA-N 448.501 0.792 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CSc2nnnn2CC(F)(F)F)c1 744966950 QXPQGQGHXRWASI-UHFFFAOYSA-N 432.384 0.640 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)cc1OC 745258373 HUQJRAPPTBLOIS-UHFFFAOYSA-N 443.459 0.031 50 20 ICGD CC[C@@H](SC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 746771859 HMTPSUQGJLFMIY-MRXNPFEDSA-N 429.564 0.929 50 20 ICGD CC(C)OCCN1CCC(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 747592064 VYOPBNRPHJYKNA-UHFFFAOYSA-N 426.539 0.924 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1OC 748247538 RCHZXQJSXGTEBA-UHFFFAOYSA-N 426.495 0.109 50 20 ICGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 754974172 MYCIWFAXSZIDHY-OAQYLSRUSA-N 449.529 0.974 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)c1=O 757863628 RNBVGMFDMIXDAP-UHFFFAOYSA-N 430.446 0.441 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1I 758048285 RMZOOZAVBUESPL-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD O=C(CCCCNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 760445975 DKMOJWFWRMKKKW-OAHLLOKOSA-N 426.495 0.601 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(OC)cc(OC)c2)c2ccccc2c1=O 763787328 XLWAIQIIOBEBQV-UHFFFAOYSA-N 439.428 0.833 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763937114 XGHKRJVNXRYNNU-AWEZNQCLSA-N 442.859 0.874 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cnn(-c2ccccc2)n1 763944008 JOYYKQJIZNLGBT-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1c(F)cc(Br)cc1F 764002873 UYTQTXMSOSXSLP-LURJTMIESA-N 440.222 0.248 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)c(OCC(=O)N(C)C)c1 764093490 VKLPXNCXKKBTLL-UHFFFAOYSA-N 433.852 0.910 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c2ccccc2O1 764106702 PUSCLDNLVIQZNJ-QGZVFWFLSA-N 442.476 0.578 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 764202855 BXSJUATUJWIANK-UHFFFAOYSA-N 437.501 0.103 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)cc1 764228275 WYVCEVJIWGIQOE-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c(OC)c1 764287184 WENZFBCBYHAHQF-UHFFFAOYSA-N 441.404 0.088 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)c1 764386223 UDRITJXVFNPCAM-ZDUSSCGKSA-N 433.490 0.867 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3F)cc2)CCN1 764410429 GKJBYFZSQHHAPD-UHFFFAOYSA-N 433.827 0.815 50 20 ICGD CCC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cnn(C)c1 764818522 MIXDCWWCKKNZGW-UHFFFAOYSA-N 432.550 0.965 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNc1nccnc1OC 766262044 PVVLYHINKWKFLG-UHFFFAOYSA-N 429.481 0.718 50 20 ICGD COc1ncnc(OC)c1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664150 OIOOSLRTEPWALJ-UHFFFAOYSA-N 448.911 0.726 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 766838071 GLYVCHGCCOSENS-KDURUIRLSA-N 443.592 0.807 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCS(=O)(=O)NCc1ccccc1 766873613 WSGBOOLJGNPMDZ-UHFFFAOYSA-N 426.520 0.836 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770754929 XTCPYMROLXESNC-LBPRGKRZSA-N 442.386 0.690 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nc(O)c3cnn(C)c3n2)s1 770969930 VQWZXAJDXPBGOH-NSHDSACASA-N 437.507 0.735 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC(Oc2ccnc(C(N)=O)c2)CC1 772344836 KAUWMIIYAXSFCC-UHFFFAOYSA-N 425.489 0.722 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 776714609 JJGQTGHRGINECZ-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 780712537 XPDXBIBGRSJCTG-UHFFFAOYSA-N 440.522 0.941 50 20 ICGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 782117998 VDMBZJDWTRAZBF-UHFFFAOYSA-N 446.489 0.636 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COC(C)(C)O2)c1 783273647 PAJZXGVWNPWTOW-CQSZACIVSA-N 428.511 0.813 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)cc(S(C)(=O)=O)c1 783416294 QFTUJTQMINOSTB-UHFFFAOYSA-N 448.457 0.977 50 20 ICGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002652 UHSPZIJDBXBAMT-UHFFFAOYSA-N 439.222 0.567 50 20 ICGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2n1 784003228 CBYGKXBMZHKHKO-UHFFFAOYSA-N 427.442 0.821 50 20 ICGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)c1cccc3ccccc13)C2 786124808 BLXVCTYBVSQCTE-UHFFFAOYSA-N 437.460 0.156 50 20 ICGD CS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1F 786528240 XTUQDYINGWOUAS-UHFFFAOYSA-N 443.316 0.669 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 790784329 LXRPASMOURGWCX-LJQANCHMSA-N 436.472 0.180 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 797002722 RNTWDDXELDZMQX-UHFFFAOYSA-N 428.445 0.910 50 20 ICGD CCn1ncc2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(C)nc21 799575730 FCMIDKNGVFVHGT-KRWDZBQOSA-N 439.428 0.904 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Br)cc1F 815692257 NFDYWUSTCILKOG-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2ncncc2F)cc1 817071130 QDZBFKJZDFPCMU-UHFFFAOYSA-N 427.458 0.656 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=S)NCCc1cccs1 819426875 BSAPRODIXPEKBN-MRXNPFEDSA-N 439.607 0.499 50 20 ICGD CN(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)C1 913125885 BFYNYZLYMJLTCV-WCQYABFASA-N 428.442 0.579 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 915690857 SCIPUFPWLYPAIQ-CQSZACIVSA-N 425.536 0.952 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 915775604 IRSQTHWKOIUECK-UHFFFAOYSA-N 433.465 0.864 50 20 ICGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 919879193 JVVGBPQPKKYFSZ-SECBINFHSA-N 435.300 0.480 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(C)c2C(F)(F)F)CC1 1182816172 QQZVTMXPGVXDRE-UHFFFAOYSA-N 447.443 0.527 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779838290 RHWREXBBQZFOKO-OAQYLSRUSA-N 441.318 0.241 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2)NC(=O)NCc1ccccc1 1780968680 PCOHBLHHBFUPRW-SVMVAKDDSA-N 447.511 0.521 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781218128 DWORJDXQHCDBQJ-QAPCUYQASA-N 435.974 0.505 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1781399854 FVNNKRBUXROXFK-OCCKZLSWSA-N 446.508 0.751 50 20 ICGD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CC1(F)F 1783142251 YQWYQLXNRCEQKY-NSISKUIASA-N 436.264 0.539 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCCc3ccncc3)CCO2)C1 1783933775 XPQMVNMQMGVNKB-JOCHJYFZSA-N 431.537 0.607 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1)CCO2 1783935335 SOXKVDPVMJAXSE-OAQYLSRUSA-N 428.493 0.331 50 20 ICGD C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1785425042 XLUPUMPKCZHUCV-HSZRJFAPSA-N 441.532 0.576 50 20 ICGD O=C1COc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)cc2N1 1788360711 HYVFQRNLKFIXCU-HPZZRFSDSA-N 437.880 0.211 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788888604 MKEUWMDDLIKJKQ-RCBQFDQVSA-N 436.541 0.620 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1N(C)C 1789815944 WQHQJSFBEAMKLH-BVYOLEPJSA-N 439.940 0.954 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1789925774 JNSDEZWTPNZULJ-QKMYFLCJSA-N 432.334 0.997 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1795115608 BSGRCWULVNQTRW-DRXBFXEBSA-N 427.299 0.654 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CCc2ccccc2[C@H]1O 1796189671 OAWHTJAKFJDMGK-QGAVKGNSSA-N 448.328 0.914 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797168184 KOCXHYWXUJGJDA-QVHKTLOISA-N 432.315 0.592 50 20 ICGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@H]2C1 1798440611 SXZMBVURELPGFA-NYXISSTPSA-N 426.521 0.277 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369089 AFBDJHSSZYGBKW-RXVVDRJESA-N 447.304 0.611 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1808310615 XPEFOWGFRVAHHE-NMFUWQPSSA-N 434.921 0.950 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813070105 GIYQNXGSGUBHMI-DYESRHJHSA-N 439.520 0.873 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814477391 OEZMEOZSXYGZJW-HOCLYGCPSA-N 435.529 0.690 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncs1)CC2)c1cccc(B(O)O)c1 1815354942 ISHOKIIVYYOZCZ-LBPRGKRZSA-N 428.304 0.819 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1817642152 PPMXQPIOPQSMLP-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793323 MDFBREQQXCEHDQ-LLVKDONJSA-N 444.517 0.983 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1819852283 VLVMUKQFSXMTDA-WXHSDQCUSA-N 447.897 0.150 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)nc2cccnn12 1820143659 AOOXMXUKKKLHCG-GXTWGEPZSA-N 445.867 0.718 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cccn1 1822799723 WQMVGQXUHGSBLJ-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055047 SJPATSFPEINWAG-ORYQWCPZSA-N 429.370 0.973 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831644398 WYNQVVIEUSWTMB-LIRRHRJNSA-N 427.885 0.563 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831834814 IYXWCHAYWGKKIX-MSOLQXFVSA-N 433.977 0.147 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCCn3ccnc3)CC2)CC1)[C@@H](O)CCl 1833312963 NSWGGPSAYRIYTE-SFHVURJKSA-N 425.961 0.835 50 20 ICGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)CC1 1835080201 LTDLROGHUPFUHP-IBGZPJMESA-N 431.984 0.730 50 20 ICGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835422887 LQJPBIRNGGIDMT-NVXWUHKLSA-N 437.306 0.950 50 20 ICGD Cc1nc(C)c(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)o1 1835942335 RHQMCZAKOLZSQO-UHFFFAOYSA-N 448.568 0.850 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836395302 FBCBWEVRDIBQCT-OAHLLOKOSA-N 438.893 0.300 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836837424 RYIRVYZLJXFNEM-NQIIRXRSSA-N 448.907 0.608 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710312 UOQQVQGXOHVQEY-HXUWFJFHSA-N 443.617 0.457 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798094 BKRWGVLVFCBQRT-PXAZEXFGSA-N 446.298 0.268 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839147173 IJIISHVWNCZQEP-OXJNMPFZSA-N 435.912 0.746 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)(C1)C2 1840007070 LAIPJKYQFLOUBW-ABHNRTSZSA-N 435.304 0.590 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1840153334 KXAOYORISSUPJR-OXJNMPFZSA-N 441.912 0.722 50 20 ICGD CNc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840184116 SXKLKKBMFXGNSH-QFIPXVFZSA-N 447.536 0.171 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)CCCO3)C1 1843918823 ILSOQMNAKRUIAU-UHFFFAOYSA-N 434.301 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cnc1O 1847189966 IDLIKPJHFLDFAC-GJZGRUSLSA-N 430.852 0.568 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)C1 1847554190 XDOAAYPMPMIVOI-OMNBBPDLSA-N 429.477 0.090 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 14329306 YDPFEDYTWKHEBC-LIRRHRJNSA-N 433.486 0.991 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 23370363 JFFMICUXWPXJFH-RTBURBONSA-N 429.565 0.878 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N(C)C)cc1OC 726084698 RYLKGIAIKPLMQF-CQSZACIVSA-N 433.465 0.660 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 727365269 BVPAFHUEGZERGA-GFCCVEGCSA-N 427.552 0.751 50 20 ICGD O=C(COC(=O)CCNC(=O)C1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728341268 BPQWDBGQFVRVCS-KRWDZBQOSA-N 433.461 0.604 50 20 ICGD COc1ccc(NC(=S)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cn1 729693431 YLFNEQIFSFXSAD-UHFFFAOYSA-N 440.485 0.480 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CSc1nnnn1C1CCCC1 734239563 FOXWHKSCAHKZDL-UHFFFAOYSA-N 428.519 0.735 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cn2nnc3ccccc3c2=O)CC1 734825443 FSDBKLMVQDBCHM-UHFFFAOYSA-N 445.480 0.521 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746549839 HIZZGSAWOHJBCC-UHFFFAOYSA-N 431.493 0.362 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 747406789 JJISHOREIGMGGH-UHFFFAOYSA-N 440.503 0.160 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748211525 VHTDLDINWFXACG-UHFFFAOYSA-N 425.405 0.811 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 749214856 HTFZJBPZSHGPLA-UHFFFAOYSA-N 425.489 0.917 50 20 ICGD O=C(NNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 751363413 VOXHJROACJYNHK-PBHICJAKSA-N 448.467 0.959 50 20 ICGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cnn(-c2ccccc2)c1 755167584 UPXVJCKELBSKKB-DFEHZGFQSA-N 434.456 0.623 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 755653958 AFEUBOHRZUEZGT-UHFFFAOYSA-N 438.444 0.915 50 20 ICGD CCN(CC)C(=O)CCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 755811221 XIGWNTDLTOAGJU-UHFFFAOYSA-N 426.543 0.109 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756098088 SOUIKNHSQXSUGI-STEAMIEHSA-N 426.473 0.765 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 756761615 QKPVMJICFXKWGC-CYBMUJFWSA-N 437.478 0.751 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1cnn(CCN2CCOCC2)c1 756827776 YDNVCNIOCSEDGC-UHFFFAOYSA-N 426.437 0.331 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 758045573 CPTCTSRRXPOELJ-IUCAKERBSA-N 437.305 0.431 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 763492490 ZSMHMXPUBJLKHV-GOSISDBHSA-N 437.456 0.649 50 20 ICGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718426 LPIRGTPONMTPEK-UHFFFAOYSA-N 435.462 0.130 50 20 ICGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763787403 ZUSLYKUTQXHQCA-UHFFFAOYSA-N 448.439 0.992 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 763820017 DAELPVJZTJWAKH-UHFFFAOYSA-N 425.445 0.096 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 764235061 PUXOKPBXWAJELM-UHFFFAOYSA-N 427.442 0.399 50 20 ICGD CC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)C1CCCC1 766649025 MCSXIDNYJNDTSB-QFIPXVFZSA-N 429.565 0.955 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767243297 VSZPYUWXVFNOPA-UHFFFAOYSA-N 433.486 0.515 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 768710274 QLAYLDKRGNRSSG-OAQYLSRUSA-N 430.461 0.882 50 20 ICGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770224071 WCXSLCDILVAOEV-KRWDZBQOSA-N 429.836 0.613 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770975441 YDFJMHXLVDOWBQ-QMMMGPOBSA-N 425.858 0.532 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCOC[C@H]2OCCOC)c2ccccc2c1=O 777273626 CPTUTEIXUZHYKI-JKSUJKDBSA-N 433.465 0.181 50 20 ICGD Cc1nc(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2)n[nH]1 782893837 MTYPYBIPZNNLPF-UHFFFAOYSA-N 432.444 0.995 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 784915933 KBGDPDZXVWSQQR-UHFFFAOYSA-N 427.527 0.965 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)N3CCN(C)CC3)C2)s1 788165664 FIZXOKRWVLHJGF-CQSZACIVSA-N 429.568 0.445 50 20 ICGD CC(C)(C)n1ncnc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 800743015 RQKYXUJHGUNXTQ-UHFFFAOYSA-N 449.537 0.962 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)cc1 802028847 DQHYAEPPSMMTCF-UHFFFAOYSA-N 445.501 0.960 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc(Cl)cc1O)C(F)(F)F 806564295 PBFZKZBJZJIGLH-SNVBAGLBSA-N 432.808 0.812 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 806993203 TZQPEKNTZSANGI-UHFFFAOYSA-N 436.472 0.994 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 807070274 LDDDXRMJIRNGJR-LSDHHAIUSA-N 437.456 0.187 50 20 ICGD COC(=O)C(C)(C)CS(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 808308907 FOXAUQPNIRYDQS-UHFFFAOYSA-N 436.531 0.625 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(OC)n1 811851577 JMIPVJNBMSLYQZ-UHFFFAOYSA-N 436.494 0.845 50 20 ICGD Cc1nccn1-c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1 815751728 LVJAHJMIDOYLJU-UHFFFAOYSA-N 443.489 0.908 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 815752328 NOHRNLOCVTVMSZ-UHFFFAOYSA-N 443.489 0.814 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)cc(OC)c1OC 913415634 AVUQBYNUJFUHOQ-UHFFFAOYSA-N 427.410 0.574 50 20 ICGD CC[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C 918225129 FMPGFRUFORFEKT-KXBFYZLASA-N 426.539 0.986 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(S(C)(=O)=O)cc2)c2ccccc2c1=O 1322025406 WRKNTEOJIWDPLQ-UHFFFAOYSA-N 429.458 0.481 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091512 IRDRGWXWJHOXJC-OMVUMXCKSA-N 433.509 0.405 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028114 DQROHFKFTFCXAP-QFIPXVFZSA-N 438.488 0.400 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)n1ccccc1=O 1779519363 NNFNPOALMAHUNF-AXHMDWHKSA-N 425.913 0.523 50 20 ICGD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cn2[nH]cnc(=O)c12 1780019282 GALUYFXNTCGHFM-FQEVSTJZSA-N 447.568 0.626 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997300 PIQJWYXNBFFBTN-WOSRLPQWSA-N 439.372 0.718 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784108921 PHROUJXSRHXPRK-XXBNENTESA-N 428.533 0.919 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1784329994 YWIMHHGCEIJJIX-QVKFZJNVSA-N 426.477 0.191 50 20 ICGD COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C[C@@H]21 1786497323 XHBXQPUUCVTIDC-OWQGQXMQSA-N 435.433 0.760 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)N1CSCSC1 1788682710 MUBGAIJFBCULBI-YTFOTSKYSA-N 438.015 0.609 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789806733 ATWFTZQWLGWSGA-FJIDUMEYSA-N 426.989 0.764 50 20 ICGD Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1790074744 FCUJCBUUJPIPTJ-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975409 QUXBEDALTNYJPI-DGADGQDISA-N 445.944 0.645 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110421 SIUDDBAHNUIYGF-XLWJZTARSA-N 432.949 0.466 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1795116491 MIGXJCCJMNNKMG-KYHPRHEASA-N 425.323 0.965 50 20 ICGD C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795958881 WDYXCRKEMAVOSE-OQIJWPOYSA-N 430.553 0.566 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ccsc2n1 1798145602 XXPGENXBJUHLLS-CLLJXQQHSA-N 439.501 0.960 50 20 ICGD O=C(CCc1noc(-c2ccccc2)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799041973 GQQHWIDWRINPHQ-RCJHGTSTSA-N 448.907 0.859 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1799265004 WVMIYPPBOZZTNS-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)n1 1799347494 OIQJBFLCPCDSMX-XCCSTKFXSA-N 433.278 0.423 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 1803759992 AALRNBZWOWJBNL-KSSFIOAISA-N 434.460 0.437 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977213 AHLGKCKXWSLWCZ-UHFFFAOYSA-N 444.337 0.943 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(N)s2)[C@H]1c1cccnc1 1813071136 NTVBFNRLFBIRJD-KDOFPFPSSA-N 445.549 0.813 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(Cl)Cl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817817032 SPKFMPUICHJNMA-VIFPVBQESA-N 440.251 0.645 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817996016 DDDAXLHCIZHFFA-OCCSQVGLSA-N 436.517 0.222 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823787621 KIYPBUBCNJDGNI-SFTDATJTSA-N 443.353 0.514 50 20 ICGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](Cl)COC)CC2 1824509873 RPORSLIPJOUORL-ZJUUUORDSA-N 433.987 0.793 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903578 BPGYVANIDDQXOG-GJZGRUSLSA-N 428.917 0.412 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1825742948 PWCPYDAXCIKQFR-SFHVURJKSA-N 425.298 0.042 50 20 ICGD CCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080800 ZZTZVSGYYXRYHE-GFCCVEGCSA-N 433.538 0.958 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088598 YVUDQRPOJQWUPH-NWDGAFQWSA-N 436.538 0.119 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826539181 XPJUJWJXHSVWRX-ZWKOTPCHSA-N 442.520 0.197 50 20 ICGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724632 ADOBWNLAAYBBCF-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD O=C(c1noc2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728962 ZMOJGXIQSSJXLN-IFXJQAMLSA-N 427.885 0.223 50 20 ICGD C[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)Oc1ccccc1 1830736013 PNUHFUIHVVTSCW-HGHGUNKESA-N 440.924 0.900 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCBr)CC1)C(=O)C(=O)O 1831163457 PYOILQMIIDLMOI-CQSZACIVSA-N 446.342 0.934 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831645758 GFXBHHOOBLUASB-IFXJQAMLSA-N 427.885 0.970 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831968206 UKNUFEZBPCDUAU-UGSOOPFHSA-N 433.839 0.684 50 20 ICGD CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CBr)CC2)CC1 1833264592 KAKREYQYSJULIK-CYBMUJFWSA-N 431.375 0.725 50 20 ICGD CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834943953 SJOMXEINCASSMV-CQTHNFAISA-N 448.470 0.890 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnn2ncccc12 1835037876 OANDOFKKVMZTGD-GOSISDBHSA-N 434.928 0.514 50 20 ICGD COCCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718316 VDMZSYNKNMNMEP-GOSISDBHSA-N 442.944 0.741 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)o1 1837712502 VVFQCTFESHANQI-IBGZPJMESA-N 440.573 0.662 50 20 ICGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cc1C 1838152586 UHPBOGHWJVSPPK-RHSMWYFYSA-N 447.305 0.972 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838216864 NAQJSMKYGYPQAM-BBRMVZONSA-N 431.262 0.546 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839151199 KOLIYGNEBBMQFK-ZWKOTPCHSA-N 433.288 0.946 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839199499 OYUAQPGLSHAOGP-XJKSGUPXSA-N 433.278 0.733 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)C1 1840146562 RLSLNWHGUSLPRT-HRLGVUPISA-N 434.892 0.957 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149578 SYAUECTWOWARDE-UZLBHIALSA-N 441.912 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1840152685 PVLPAYGSFZMEEZ-BTYIYWSLSA-N 448.907 0.954 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840177079 OPKIIUHUBFGESR-GDIGMMSISA-N 434.917 0.466 50 20 ICGD O=C(c1ccc2nc(Br)nn2c1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350610 NCFWEAQBLNYJCP-NSHDSACASA-N 442.701 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2cc(Cl)cn2)C1 1843027854 OVQZKTJXWLWCCE-YDZHTSKRSA-N 431.884 0.874 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846229603 NRVOJRCOCIEQPN-KSMMKXTCSA-N 445.944 0.550 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847499485 ZCRAXGFQZGYGMD-AVGNSLFASA-N 434.294 0.936 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 725870527 JRJXRNMKFIJSKT-UHFFFAOYSA-N 433.852 0.862 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CCN(C)Cc3ccccc3)CC2)n1 729266063 RYPVDFKQTFAKOH-UHFFFAOYSA-N 444.605 0.891 50 20 ICGD CC(C)(C(=O)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccccc1 731219061 RGZBXYYOUBIQDK-UHFFFAOYSA-N 432.506 0.933 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 732984358 NWZBPVOOWOLYNW-LBPRGKRZSA-N 430.493 0.857 50 20 ICGD CN(C)c1nccc(NNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 740102223 GEVAIRSABMDFMM-UHFFFAOYSA-N 446.537 0.756 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cn1ccc2ccccc21 742067113 CHOGRGGPFILPFZ-ZDUSSCGKSA-N 432.506 0.506 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)no1 744549800 BCFOJOFIVPSOED-LBPRGKRZSA-N 445.457 0.919 50 20 ICGD CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 745896193 WYXFNEACQAUYSG-HUUCEWRRSA-N 442.563 0.936 50 20 ICGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 746812910 JPUPYPHTNOIPIP-FQEVSTJZSA-N 436.534 0.881 50 20 ICGD COc1cc(CN2CC[C@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2)cc(OC)c1 756101539 MDISHZLNQCCIPO-KXBFYZLASA-N 426.539 0.659 50 20 ICGD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756511207 MGGLXFQBUJXKJC-SWLSCSKDSA-N 439.494 0.575 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757711858 UYCLIKQZMYYFTL-VXGBXAGGSA-N 432.524 0.351 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757779868 AFAAIIMDLCOBST-UHFFFAOYSA-N 432.462 0.316 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)c1I 757780049 KWURDIXMOUHGCI-ZCFIWIBFSA-N 444.226 0.521 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)Nc1ccccn1 758830390 KGCUXMAOTXNDGP-NSHDSACASA-N 446.261 0.983 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c2ccccc2c1=O 760204770 SOPLMFBBWYTZEP-XJKSGUPXSA-N 444.492 0.564 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)C(=O)Nc1ccccn1 760821959 DIUTWQYCBNFKDP-CYBMUJFWSA-N 448.480 0.073 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCc2ccco2)c(OC)c1 761284106 XPNOIAZLPZLCOL-UHFFFAOYSA-N 431.492 0.992 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1 763508405 IVQXEYZZGXGAGQ-UHFFFAOYSA-N 449.489 0.982 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1CN1CCNC1=O 763551577 PYDZJPINKVHEHH-UHFFFAOYSA-N 425.401 0.340 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)CC1=O 763566901 UAVYDHFLGAVOQL-CYBMUJFWSA-N 446.485 0.746 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1C 763664757 FRXWZTRBVHFURC-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2F)c2ccccc2O1 763678685 HLKQROGHBUMACC-MRXNPFEDSA-N 431.376 0.319 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 763709012 OVJBFKTUHIKOME-UHFFFAOYSA-N 441.510 0.582 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 763815018 ZOZJMJCTOJBXCS-UHFFFAOYSA-N 434.474 0.410 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1C 763839359 FXVCAHLFLAONGU-CYBMUJFWSA-N 441.423 0.972 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763859499 CTOKTEKDZMIAMF-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 764303538 MWKJLSNJVJARHR-UHFFFAOYSA-N 426.495 0.372 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 764318722 ZLMKJYVKQDNFFK-UHFFFAOYSA-N 426.495 0.374 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 764399070 JLKNDPDALGSCEP-HNNXBMFYSA-N 434.493 0.696 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765119482 XIBOPKYMBLICHM-IRXDYDNUSA-N 437.566 0.288 50 20 ICGD Cc1cc(C)nc(NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)n1 770060138 DKXXEEPASUBOKT-UHFFFAOYSA-N 426.437 0.735 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 771823110 FYBRMQFBUCHUOT-SNVBAGLBSA-N 432.462 0.040 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 773082524 YJBKLXWUXKKENF-LLVKDONJSA-N 444.473 0.318 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(N)=O)c(Cl)n2)c1 774316321 KZHLPMLOJRMIMU-UHFFFAOYSA-N 425.854 0.159 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)COc1ccc(S(N)(=O)=O)cc1 774903938 OMIQVKMASNDHOJ-NSHDSACASA-N 427.866 0.981 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1 777602321 KTXMROYKVCGOGR-UHFFFAOYSA-N 436.472 0.785 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003039 PAPZUNVYWPGNDI-CYBMUJFWSA-N 429.433 0.021 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 789735861 WCDQMSNRSLGLSW-NXEZZACHSA-N 445.567 0.318 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)n(C)c1 795177011 IGNRYBJUPKKBBJ-UHFFFAOYSA-N 429.524 0.283 50 20 ICGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 795284233 OTZUDCRQWYFJJS-UHFFFAOYSA-N 430.446 0.391 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 796310168 CZQOPKFCRUKLCO-OAHLLOKOSA-N 431.357 0.748 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)c1C 796991881 RBMLETFJHVBKGY-UHFFFAOYSA-N 438.238 0.527 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 798337732 YCLNQDSQWXHGGZ-UHFFFAOYSA-N 447.355 0.621 50 20 ICGD C[C@](O)(CCc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 801494564 YMELODSZTKGZIW-GCJKJVERSA-N 428.441 0.901 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccccc1C#N)C(F)(F)F 806564986 XLUPARAHVSRCLT-GFCCVEGCSA-N 437.400 0.090 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567353 GYAHBVCLXLMGFK-CABZTGNLSA-N 444.407 0.746 50 20 ICGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915801850 GXKZSQSVIASGLP-UHFFFAOYSA-N 443.547 0.590 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N[C@@H]1CCS(=O)(=O)C1 919883358 CKPQAPAZAKGNPB-CHWSQXEVSA-N 428.898 0.206 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 921125865 XGZJPARWUGJGJR-HNNXBMFYSA-N 445.501 0.686 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2s1 1777986856 AOEMYRAVRJFUFK-UGSOOPFHSA-N 440.909 0.108 50 20 ICGD Cc1csc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028773 KKFYFPQBOHRQCC-FQEVSTJZSA-N 429.502 0.812 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029533 UFDIYWKHDDUTKV-FQEVSTJZSA-N 439.463 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779031305 RGPMUOOGFNEQMU-HSZRJFAPSA-N 433.468 0.180 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1779035017 ZWCRQNAJJIORJX-QFIPXVFZSA-N 440.504 0.411 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2)[C@H](F)Br 1780770839 FUDCUAYZLLPFDU-HACGYAERSA-N 446.273 0.904 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)(C1)C2 1781333704 IRXVIKQTQZYLCM-YZWQVAQESA-N 433.274 0.850 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782002739 VULOLSCATRPARX-SNUQEOBHSA-N 442.310 0.209 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331883 LXWIAXPQCOFBKG-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783341436 CIXMTAYUMGGFRX-LRDDRELGSA-N 437.356 0.896 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933664 UVQRREDWTFPYBL-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1783970520 UYNNNNFZSRUCIV-ZPFDUUQYSA-N 444.286 0.942 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1784709510 PGFUYODZINDGMD-WCJKSRRJSA-N 429.521 0.955 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785250166 CHLVUIONBCPOKV-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cccnc3)[C@H]2C1 1785381055 YLEQMDOAEOWUQP-OISZBXDOSA-N 429.521 0.448 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979402 DWAZEZZLYMTCSA-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD CC1=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C[C@@H]32)CCO1 1787162763 DVBMZSBTZROKMC-MQLVQPQLSA-N 443.504 0.794 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1790958561 VCYANSYESLLEDY-ABHRYQDASA-N 443.342 0.748 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)n[nH]1 1791056818 DBPPTJIAOZORRX-OXUWNYNTSA-N 427.299 0.989 50 20 ICGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056957 JFCYUDBBSOFCDH-VOAKCMCISA-N 427.299 0.862 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791064999 OIWBPQMGUSJENO-VOAKCMCISA-N 425.345 0.184 50 20 ICGD COc1cc(F)ccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792302913 JBBXAUNBLWTRHW-SCNOPHJPSA-N 428.888 0.956 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)n1 1792868015 NLJKYIMGCXRWRN-HGTKMLMNSA-N 443.342 0.764 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)C2 1792870350 DSZUQSHDMFBODQ-CCKNNGANSA-N 428.371 0.947 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793116293 KCBSTLCLYJAWIY-UKRFAEJPSA-N 445.944 0.595 50 20 ICGD CC(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795103866 UHPFUELAZGASOQ-HATOLVCRSA-N 445.564 0.968 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(F)(F)CC1)C2)c1ccc(B(O)O)cc1 1795732727 DKPIVKMDSNDVDO-ALXJQNPVSA-N 436.264 0.395 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(O)c([N+](=O)[O-])c1 1796189343 ASTRWHHQMRTNQJ-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(-c2cccnc2)[nH]n1 1796191879 JQGHIJADLKDUSN-REPLKXPHSA-N 445.288 0.717 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)nn1C 1798191793 VSJPVNCSZHKZGZ-FBKDDSFISA-N 438.834 0.896 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798418794 KGCAPHXICNWBPM-JFILPPLUSA-N 436.310 0.964 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)c1cc2n(n1)CCCNC2=O 1800159756 NXRLCXCGXPBSLT-FBKDDSFISA-N 442.289 0.959 50 20 ICGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1801724527 UMYZXOXYXVCUMM-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1802285280 VQPUFZDIULBIFK-XJFOESAGSA-N 426.857 0.649 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803618252 RIGJJIZIRDQSDU-WLKXKRCBSA-N 433.553 0.867 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnc(F)c1 1803840011 IWLXCINQNAIQHX-WIYYLYMNSA-N 448.263 0.929 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807364189 SNZVMQXRWRAJJF-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374733 MBIVTGIKLAZOIH-DENIHFKCSA-N 438.337 0.421 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808682243 IOYODCFQYSQJQG-BEFAXECRSA-N 448.487 0.745 50 20 ICGD COCc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1 1809971360 SRHGGWSAMYPSNO-UHFFFAOYSA-N 439.321 1.000 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817474776 FPQJAVSRXVPINQ-LJQANCHMSA-N 449.276 0.739 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cccn1 1817479839 UIKLUVZDIQGZLI-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cc[nH]n1)CC2 1819800348 NQLTYPQRGXEPDO-JTQLQIEISA-N 440.489 0.333 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416464 DKIGBSRYLDZNPJ-SICOMBFOSA-N 433.513 0.815 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825641693 MEAXXIFSSWIZGH-FEUHOPSXSA-N 447.355 0.489 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)o1 1830538723 OANJZOPKRCDXKX-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830539057 ZYRLANOYVAQXHQ-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719942 PEQSQAWJBRWZTH-QRWLVFNGSA-N 442.896 0.130 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738295 MUISYIVSJAGCRF-APWZRJJASA-N 432.851 0.563 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831467324 YINYDVOGUMXYJN-UGSOOPFHSA-N 448.358 0.389 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1831640922 STMLSLWRBPPENT-MPGHIAIKSA-N 438.974 0.531 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736907 NHCRTNDJEBMXRS-SJCJKPOMSA-N 443.298 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=O)N(C)C)CC1 1831869181 BJFZLPIQAJSGLL-KRWDZBQOSA-N 438.573 0.250 50 20 ICGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)c1ccco1 1832659477 SXBFCDXPFAKVPV-KRWDZBQOSA-N 429.267 0.704 50 20 ICGD O=C(COc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832680337 WHTPTXHANSWEGX-NVXWUHKLSA-N 446.273 0.607 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833521947 HMQZHLNPOMTEBU-XHDPSFHLSA-N 433.328 0.639 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536286 QIKQVMPPTYICBG-ABAIWWIYSA-N 433.328 0.782 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833768345 SFBJACBSYHDPFZ-IFXJQAMLSA-N 427.885 0.414 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnc1 1834818892 FHJSLYSRTFYGCH-PBHICJAKSA-N 429.315 0.686 50 20 ICGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCCCC1 1835931738 AFHGHGVWEFOSDW-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447247 WEOBONMFWFJEMI-WLJAYZHCSA-N 445.358 0.698 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839084933 RKHVEQICIRNBJK-BIENJYKASA-N 448.347 0.648 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839963540 NTMABOIADGZQFY-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1840151009 UQPCQKKQLUWJJZ-XLIONFOSSA-N 425.913 0.643 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840153347 LJYABNUEGQJOPC-XLIONFOSSA-N 436.896 0.658 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189072 UNIDXDSRHUUICV-MRXNPFEDSA-N 433.248 0.049 50 20 ICGD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840564477 ZVOGABZYHMZCDC-MAUKXSAKSA-N 434.375 0.814 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014350 ZVXSACCCEVWVDJ-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1846349631 CAHNDZUXRWQGAL-LSDHHAIUSA-N 443.504 0.482 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1846384228 TTXOVALWDKFNCF-MRXNPFEDSA-N 433.553 0.354 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccccc2OCC(=O)N(C)C)c2ccccc2c1=O 27317143 LPCSDMROLOBDHU-UHFFFAOYSA-N 437.456 0.958 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1OCC(=O)N(C)C 28621022 GJYVPMJHMCLOEM-UHFFFAOYSA-N 447.517 0.830 50 20 ICGD CON(C)S(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1Cl 728179981 VQDZDWHAZXNPEK-LBPRGKRZSA-N 439.943 0.628 50 20 ICGD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)C1CCN(c2ncccn2)CC1 728948432 GNMOBIZNKXADKQ-CYBMUJFWSA-N 429.447 0.908 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)CCc2ccccc2O)cc(OC)c1OC 730034385 OSTLCAOJSSOIKF-UHFFFAOYSA-N 431.445 0.928 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 730321773 NBQQDQFQTPQDTI-SWLSCSKDSA-N 437.474 0.219 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)COc1ccccc1O 730778632 RVZUFIGEABMBEH-UHFFFAOYSA-N 447.391 0.916 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)Cc2ccccc2F)CC1 731365721 ONVVQTVDAMQOKK-UHFFFAOYSA-N 437.472 0.778 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731616815 CBDOYEUJBVUXQG-BPLDGKMQSA-N 426.495 0.220 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 734239398 BXCUKHRDJDNJIC-UHFFFAOYSA-N 447.500 0.196 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1 741648262 YGVGCTJPEYIZCK-LBPRGKRZSA-N 443.503 0.510 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742477297 FVIXZRALZWLUMG-GEQZRMBCSA-N 445.472 0.553 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 743829692 AZKVFFZTQFAJSQ-UHFFFAOYSA-N 437.453 0.881 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 744387528 SZRBTSKKPQXDBB-UHFFFAOYSA-N 441.513 0.523 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744809674 IWGDCMFYPXVEQK-UHFFFAOYSA-N 448.432 0.614 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(N)(=O)=O 746636792 GMLMSDHHYRENJG-UHFFFAOYSA-N 435.437 0.062 50 20 ICGD CC(=O)NC1(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCCCC1 748619511 IYGZALXFRXOHBS-UHFFFAOYSA-N 437.566 0.905 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccc(C(=O)O)[nH]1 749811612 CZLVUHODIBGRTN-UHFFFAOYSA-N 434.474 0.817 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 755050099 VRRJHYXXFKEHDA-LBPRGKRZSA-N 448.530 0.980 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 755344340 NZIWLPPLJXJBLK-UHFFFAOYSA-N 432.458 0.877 50 20 ICGD CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 756730498 TYBTWNCHRBVJDG-IRXDYDNUSA-N 440.522 0.609 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 759642158 BZOPPEMYSALUTL-OAHLLOKOSA-N 449.460 0.822 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c2ccccc2c1=O 760793032 OIZCSVWSKFLCAU-UHFFFAOYSA-N 433.428 0.376 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)Cc3ccncc3)ccc21 761164696 AVWBQBUYWAVSHZ-UHFFFAOYSA-N 439.476 0.742 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 763439252 JXWNDASGCHOJQR-UHFFFAOYSA-N 447.535 0.631 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 763814991 YWXQWZKZAJTJHH-UHFFFAOYSA-N 449.423 0.372 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764150742 AJOLKPZKEXIWOQ-SFHVURJKSA-N 439.472 0.666 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Sc1ccccc1 764230302 HCPHIGMSZWBBIC-GFCCVEGCSA-N 436.515 0.861 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 764297751 YCJTXLDZAJWPIM-UHFFFAOYSA-N 441.492 0.553 50 20 ICGD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764431640 DVDPZYZWZBZLJS-OAHLLOKOSA-N 429.477 0.980 50 20 ICGD COc1ccc(COCc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)cc1 764435494 WADPUURDBAUJLU-IBGZPJMESA-N 443.456 0.913 50 20 ICGD O=C(NCc1noc(C2CC2)n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 764471152 YCJVFNMMXMVVLE-UHFFFAOYSA-N 434.478 0.876 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1 765117232 DDRFVZVBDWMYFQ-UHFFFAOYSA-N 446.529 0.771 50 20 ICGD CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765584235 OCXOLRFHLFORSM-UHFFFAOYSA-N 445.461 0.626 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2=NN(CC(C)C)C(=O)CC2)cc1 766340908 ZWKIOZCGGUNIAA-UHFFFAOYSA-N 437.522 0.397 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 772014753 YILRQEVTLVGLCT-QRTARXTBSA-N 437.468 0.455 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 772968952 IWPRRXFKCNGTQO-NSHDSACASA-N 428.873 0.896 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)C2=S=C3CC[C@@H](C)CC3=C2)nn1 773498907 FIWHQFBKLOUXFI-LLVKDONJSA-N 439.501 0.895 50 20 ICGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 773524839 OKJYNKGZUOVBEE-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775708723 PTYKGRBYXXKTTO-CQSZACIVSA-N 427.417 0.677 50 20 ICGD CN(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776214835 XNCWSFYKDODVOW-ZDUSSCGKSA-N 435.485 0.398 50 20 ICGD CN(CCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 778442695 CAIGXBRBILEFMO-UHFFFAOYSA-N 446.501 0.899 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)c(Cl)c1F 779830914 PBLXELBPDGTCOK-RXMQYKEDSA-N 432.810 0.061 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2ccc(F)cc2)n1 782964892 DAHGARSQKWECBK-UHFFFAOYSA-N 430.440 0.673 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)nc1 783265119 VRZXVYHNHSICHM-UHFFFAOYSA-N 448.461 0.295 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 783428743 WWAQOEJPSZFZFD-QGZVFWFLSA-N 436.881 0.534 50 20 ICGD CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 784000155 XAFLOILTMNCKMG-UHFFFAOYSA-N 426.477 0.763 50 20 ICGD O=C(NNc1ncc(F)cn1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 784949213 GYWXJUZBKJFKAA-INIZCTEOSA-N 428.424 0.866 50 20 ICGD COC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-] 788704516 OPTLQGXCRXMWAX-UHFFFAOYSA-N 425.361 0.886 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794720950 NDAYQRSJRJBOGW-INIZCTEOSA-N 432.568 0.974 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1C 798309945 QSWHFANUGVVKDW-INIZCTEOSA-N 440.460 0.580 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccc(F)cc1 802104133 UVNYEIVPQPMSIJ-AWEZNQCLSA-N 428.380 0.827 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)CC1 802827812 OWPYBXQUCRDRIR-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3snc(C)c3C#N)CC2)cc1OC 810063777 BTKHKMHCRRWVLV-UHFFFAOYSA-N 444.517 0.924 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCC1 811676903 LUUFMQOLCMLHTL-UHFFFAOYSA-N 447.535 0.235 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)nn1-c1ccccc1Cl 815692112 JLRYMOXKXHENNM-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 817054933 DYROOYIMIKPUGW-UHFFFAOYSA-N 444.521 0.734 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 913053487 VXCUYLZPIIEVGB-INIZCTEOSA-N 436.582 0.160 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNc2ccc(C)cc2)cc1 913431285 BBAXETFIDGOROJ-UHFFFAOYSA-N 447.517 0.833 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c2ccccc2c1=O 915357558 WZZFMJPXSCINNE-UHFFFAOYSA-N 449.533 0.078 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(OCC(N)=O)cc2)c1 916375394 ADNPUIFKCOUPRD-UHFFFAOYSA-N 435.462 0.268 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 918111653 AMERFQLNCXSUNQ-MRXNPFEDSA-N 428.470 0.766 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 919691850 BMSBTZSYRMPRJO-HNNXBMFYSA-N 435.506 0.289 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 919694364 YYSLNECXUKTQIY-GXSJLCMTSA-N 434.301 0.928 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920208301 JOXKFMVFUGVWSO-GFCCVEGCSA-N 427.508 0.677 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)NCCCOC 920862760 DPZBTUNOGIRTCM-AWEZNQCLSA-N 425.511 0.651 50 20 ICGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)c1cncn1-c1ccccc1 1321601906 CZMFCUMGLALFPA-UHFFFAOYSA-N 426.384 0.974 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)c[nH]1 1778317550 RPXZLXIWCZVDDB-DENIHFKCSA-N 425.294 0.444 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1779029184 NNMNYGCZWCWOAA-NRFANRHFSA-N 440.460 0.308 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779306507 WYFUKCFIAWIVAV-XTQGRXLLSA-N 429.315 0.407 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2)NC(=O)NCc1ccccc1 1780968673 PCOHBLHHBFUPRW-NPPFBWRTSA-N 447.511 0.521 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1OC 1781816411 MPUMLPZALJBSAQ-ORAYPTAESA-N 430.860 0.886 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782384459 CRGDXMOEUMCZQV-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)C(=O)CC3)CCO2 1783937639 WZUURJYBTWXREX-HSZRJFAPSA-N 442.516 0.632 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1787508608 CPHOVUILOTUIDL-VYOPWZLOSA-N 432.525 0.052 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H]2C1 1788407783 OLCMMTRZBVHILO-WDSOQIARSA-N 442.520 0.301 50 20 ICGD Cn1cc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610463 TYAYCURUIIWQOU-IWEFOYFVSA-N 444.467 0.070 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)[C@H](F)Br 1789926347 TVNKQLGTMZYVMU-UHXUCMFUSA-N 445.289 0.949 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 1790129905 BCZYAJLMQGRMRY-LTTZEQNMSA-N 429.832 0.927 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21 1791287194 SPPWFJMNSLQKTG-UGUYLWEFSA-N 430.496 0.775 50 20 ICGD O=C(CCNC(=O)c1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792118057 RNKBTFPYPCRGPI-XSLAGTTESA-N 437.924 0.386 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 1792421770 OVACBRFJRMTIGQ-VPTLXERWSA-N 447.492 0.100 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1792868224 ULRSCDXQHDKDAD-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cnc1Cl)C2)c1ccc(B(O)O)cc1 1795734713 WPKBUSKNDCUULJ-FVCICTRLSA-N 447.659 0.071 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795839767 CAOSJPMKPKUSMX-FMSGJZPZSA-N 429.340 0.942 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n(C(F)F)n1 1796188526 QAJGNECWKBHVER-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cc2N1 1796189349 BEVUOQSRIXTPTJ-ACDBMABISA-N 447.300 0.817 50 20 ICGD N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc(Cl)c1 1796191270 RKSDZEBEZWTWKH-YRPNKDGESA-N 441.724 0.972 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1[nH]nc2ncccc12 1796217063 UXVFPTVQRRIKTP-PKCZLINISA-N 426.246 0.852 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796428118 IPGOSTXWLALQAC-OWSRUXPGSA-N 447.355 0.162 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccnc1C)C2 1796893489 AOIYPMUDYVAEBX-XTUBRDOVSA-N 425.493 0.964 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1 1799055198 JVMIHZRQIYYSMY-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1799084315 MAWBBQCNFSUJIL-NOXHYTERSA-N 440.273 0.552 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799275026 HWVRYZSHYGAMPB-HRJSJKBJSA-N 433.336 0.969 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)cc1)C2 1800980951 HVOXGHXACNRTBW-SFNKJDCFSA-N 438.908 0.859 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803551703 AVHWMVHWSJUPJH-MMOPVJDHSA-N 429.521 0.499 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1804255595 YQGRDDJYOIEPIO-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805854434 RHOKDHRAMLAZTN-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccnc2)[C@H]1c1cccnc1 1805883483 OAOOTPKRTPLXJE-DYESRHJHSA-N 427.509 0.357 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnoc2)[C@@H]1c1cccnc1 1808524458 KVMUQEMGUQJHRC-KSSFIOAISA-N 435.444 0.702 50 20 ICGD O=C(CCN1CCOC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972044 LASPGQLVGZJIJW-UHFFFAOYSA-N 443.309 0.054 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cnn2c1OCCC2 1812116274 QPIPVJHOMMRCBP-XIRDDKMYSA-N 433.896 0.980 50 20 ICGD O=C(CCc1ncc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813272560 ZQVVEQDPVSLQQN-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471625 UBPFGTACVJGXFQ-BOFPYLFWSA-N 427.314 0.769 50 20 ICGD Cc1ncncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476941 ULARQSRUZNOQIK-SFHVURJKSA-N 434.265 0.808 50 20 ICGD Cn1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1817560563 SWPSFRSKTFVJBD-SFHVURJKSA-N 436.281 0.372 50 20 ICGD Cc1nnsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818254009 XMLFEFWLDLQPNM-OAHLLOKOSA-N 440.294 0.869 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)Br)CC1 1826935025 MQOSKLWXPZAVNC-IPYPFGDCSA-N 435.338 0.889 50 20 ICGD N=C(N)SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054879 NXKWWFDXPQTGAY-KRWDZBQOSA-N 432.355 0.226 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)n[nH]2)CC1 1828926994 WUJBXGGLQPQJRM-QGZVFWFLSA-N 441.492 0.661 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830537337 DHKPJKPWTFQJJF-BZNIZROVSA-N 431.287 0.216 50 20 ICGD CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537574 KOZZEOMIKJCACI-YJBOKZPZSA-N 434.375 0.862 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830543601 WBSZPFOGUXYRHA-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C)C(=O)C(=O)O)CC1 1831835541 YBMMXOYVKUSVDK-GJZGRUSLSA-N 431.917 0.403 50 20 ICGD CN(C)c1ncc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)o1 1834094964 YIXMBOPVISJEMF-OAHLLOKOSA-N 427.933 0.526 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C34CC(F)(C3)C4)CC2)CC1)c1ccc(B(O)O)cc1 1834798134 VRWBUYLTDKNQPZ-UHFFFAOYSA-N 443.328 0.444 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928155 GIMRRDCLYGYCPT-NRFANRHFSA-N 444.318 0.120 50 20 ICGD O=C(c1cnccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836318147 XAETVFYPYRZDCO-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1837711807 RDEWQEDPVNFIPP-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)o1 1839199826 VMMGTAKLLINNQD-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839961735 GSCIAJIOLQMSDO-CXAGYDPISA-N 448.314 0.069 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840030579 PPABBFYJOXFMIG-KSSFIOAISA-N 443.342 0.511 50 20 ICGD COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1F 1846684136 VWZDIFOJPLQOMH-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 16557835 MGTFBLPSIXBQLB-UHFFFAOYSA-N 429.454 0.525 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 23370372 JFFMICUXWPXJFH-OALUTQOASA-N 429.565 0.878 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 727608737 WHAIVFFSUXSDNH-LBPRGKRZSA-N 444.477 0.276 50 20 ICGD O=C(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)c1ccccc1 729946551 IHMLPDHRFZBXNU-UHFFFAOYSA-N 428.357 0.325 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 734809684 NKWZDRLVGPEBLY-KRWDZBQOSA-N 436.417 0.789 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3c[nH]c4ccccc34)CC2=O)c1 735840913 QHEAPUDCNBHJIG-LBPRGKRZSA-N 441.469 0.629 50 20 ICGD O=C(NNc1ncnc2[nH]cnc12)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 743469608 UXHCOMVEXFIKGP-NSHDSACASA-N 443.445 0.433 50 20 ICGD COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc2)c1 744447180 ZVKWUCZCCADHDB-UHFFFAOYSA-N 428.445 0.998 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 745863482 VMQKZPNKAUWESH-KRWDZBQOSA-N 432.573 0.297 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c(C)n1-c1ccccc1 748110624 ANGRACCTGUWDII-UHFFFAOYSA-N 449.533 0.700 50 20 ICGD CSCc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756503512 OASQXASYALREEY-UHFFFAOYSA-N 431.478 0.150 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535792 SCTWBSAWEILFLI-LBPRGKRZSA-N 442.401 0.905 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4nccnc4c3)cc2)CC1 759972523 CETDYEUCEKRJLM-UHFFFAOYSA-N 427.490 0.718 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cn1 763682357 MNGCQSWZKHRROP-UHFFFAOYSA-N 435.412 0.485 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cn2)n1 763807378 AYUVWUQZPOGRSL-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763812576 GYUFCWULCJPHME-UHFFFAOYSA-N 425.445 0.664 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc2O1 763857332 NJRPZUJUHUEIRQ-GOSISDBHSA-N 436.424 0.825 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763865309 KBLRRNSMEFWUHL-GFCCVEGCSA-N 429.408 0.909 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccnc1OCC(F)F 763921762 ODVCFYXNGJXSAX-UHFFFAOYSA-N 432.347 0.101 50 20 ICGD CCNC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005541 ABEGTIOMKSSWND-UHFFFAOYSA-N 427.417 0.999 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764285661 JCIROKCKXIEYTK-CYBMUJFWSA-N 426.477 0.919 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cn1 764350058 ZOOSROYLKGGQDH-UHFFFAOYSA-N 437.840 0.940 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764358809 OCTWFGHFQJTDEL-UHFFFAOYSA-N 438.238 0.759 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764387370 QISKDAXHYQAHGD-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CCSCC3)CC2)cc1 765729430 RYUCHXLNKXGJDD-UHFFFAOYSA-N 440.591 0.592 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCSC3)CC2)cc1 765733718 QRUDAPFZAIQCPX-HNNXBMFYSA-N 426.564 0.202 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 766261348 VHMTZIXWGSHHQC-UHFFFAOYSA-N 430.490 0.685 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 766752688 REDUMPWWGLZBOV-OCCSQVGLSA-N 439.372 0.671 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 767263936 XZMIEFDNXSSWAG-UHFFFAOYSA-N 433.486 0.597 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(OC(F)F)n(C)n3)cc2)CC1 768310869 HWHBXSJQPXQIGZ-UHFFFAOYSA-N 444.464 0.715 50 20 ICGD CCOC(=O)c1n[nH]c(C2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 770037694 GLQQBUXUTHWCNM-UHFFFAOYSA-N 425.449 0.494 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1cccc(Br)c1 772045626 SERJTJPBKASLFB-JTQLQIEISA-N 435.296 0.853 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1Br)N[C@H]1CCS(=O)(=O)C1 772376396 SOOQOINJPITWAY-JTQLQIEISA-N 442.295 0.766 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ncncc3Cl)cc2)CC1 781819605 IFUQLQNIQFSPDB-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783258958 RKYJPIHEWFKWET-UHFFFAOYSA-N 441.491 0.698 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 784001938 GKSAJWGHBHWBGW-UHFFFAOYSA-N 427.461 0.434 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1N1CCOC1=O 785067291 JPNZIKRTRNDJCW-UHFFFAOYSA-N 436.428 0.928 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 789852781 JLYKLAUHGVQKBQ-UHFFFAOYSA-N 440.441 0.189 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)cc1C 798310190 OTHKYLOVBHEIJT-UHFFFAOYSA-N 434.474 0.659 50 20 ICGD CN(CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(=O)OC(C)(C)C 803820256 MKOGUCQBJFBAQQ-OAHLLOKOSA-N 437.449 0.774 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 806042299 RVGLTPSFLUFUPL-NSHDSACASA-N 434.312 0.983 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NN(C)CCOC)CC2=O)cc1 816561376 VTCVPEMZIFQXJH-HNNXBMFYSA-N 426.539 0.679 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)c2ccccc2c1=O 828059504 PBIOLKJCGKPNFF-JKSUJKDBSA-N 439.453 0.399 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1nnc(O)c2ccccc12 828103427 LWBDWZYUZLARIS-LSDHHAIUSA-N 425.426 0.801 50 20 ICGD COc1ncccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 906288271 BINYSGUQRXHEFS-UHFFFAOYSA-N 448.501 0.505 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 913395670 URKWZNLOQCLCFO-XJKSGUPXSA-N 435.433 0.386 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCCN2CCOCC2)c2ccccc2c1=O 915880677 RWKVJBVKTWXJHO-UHFFFAOYSA-N 430.509 0.863 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 916147823 RKGHRGBARQJPNX-UHFFFAOYSA-N 439.453 0.826 50 20 ICGD C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 917176521 ZOOJSGVESZCGDB-LBPRGKRZSA-N 435.462 0.696 50 20 ICGD O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885864 OLCRCOYIIAMFCE-MRXNPFEDSA-N 431.470 0.814 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2ccccn2)c1 919954558 NLUOWZRLQAZMDM-UHFFFAOYSA-N 434.293 0.871 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCCc2cccs2)cc1 920832879 KUMBCBPKKNRONA-UHFFFAOYSA-N 432.549 0.734 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 933547171 WQKHHTLOBXXPQP-ATVHPVEESA-N 430.428 0.688 50 20 ICGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1318919179 KMQKLAQKSWKMTE-OAHLLOKOSA-N 435.529 0.976 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1326381366 QPJGDTIKSAJYPK-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830788 JEUQJLPTMMJJOT-IAGOWNOFSA-N 427.292 0.804 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778557746 KQFIPCWQRXTUMQ-PXAZEXFGSA-N 427.299 0.893 50 20 ICGD CCOCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969895 LRCZYZHQHKJVOW-QFIPXVFZSA-N 447.536 0.199 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1781051409 UFXDZZVVPJKYME-AZGFTEDZSA-N 437.896 0.878 50 20 ICGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CCl)C2)C(=O)C(=O)O 1781536666 FMOVQQFJOWCLMD-BFUOFWGJSA-N 431.917 0.308 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCO2)C1 1781972028 CDNMUNZRGFLTRC-VYXVWEACSA-N 445.520 0.813 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1OC)C2 1782171013 NCRUHFMKYCSBBM-IQUTYRLHSA-N 426.901 0.867 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783349458 MDPMKMVPBWCXQO-BLLLJJGKSA-N 435.388 0.474 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1784932732 NCHALYYEOXUMPA-TUUVXOQKSA-N 432.359 0.866 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787409620 DBOGSOVJBQENMG-YHQUGGNUSA-N 433.347 0.587 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1787508137 HYSAMXJDLVEYQH-GZERKGCBSA-N 440.504 0.794 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(O)cc(O)cc3O)[C@H]2C1 1790158370 NVKNUVUVPDANBJ-VFFTVRQLSA-N 428.869 0.651 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](O)CCl)CC2 1792983825 QFCZHRDLGRODQC-IMDBMMJGSA-N 436.936 0.989 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cn1 1794920319 YREXWNYEHDMCKJ-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795732616 CGBSSWIXNOPEDU-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796306653 DJWMKNHGKNEQAY-AWRDBPELSA-N 435.377 0.839 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)cn1 1798065864 VOQHDZOKKDUUJV-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799147357 FAISTJLQXWGMJR-GLRLOKQVSA-N 442.354 0.762 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1)c1cccc(B(O)O)c1 1799930494 XRAVSJQWGFXABS-FLNBYBTLSA-N 439.321 0.019 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C=CS[C@@H]12 1800251438 QOSQQPPMHMKPPO-ATCDAQPXSA-N 443.529 0.585 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800638047 NYQGFHYFDRQKTH-DVCIZKCMSA-N 428.327 0.608 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccccc21 1801111114 ZLROGNUZQSTSOA-UDKICSLYSA-N 434.301 0.300 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807369707 SBYPLSMPYQRLAY-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCOC2)[C@H]1c1cccnc1 1813556130 MCSPAZGPVOBSLN-JTDSTZFVSA-N 438.488 0.436 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnc1 1815003179 OHQJZCQKPDJCOL-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2)c1cccc(B(O)O)c1 1815350226 KXSVOZUGSCILFQ-NSHDSACASA-N 429.292 0.214 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnsn1)CC2)c1cccc(B(O)O)c1 1815354953 IWZXUAYYFLUMLA-NSHDSACASA-N 429.292 0.214 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(=O)N(C)C)[nH]n1 1818111847 LBDZEVJMVASSSI-AQXNZCSYSA-N 442.480 0.624 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)c1ccco1)CC2 1826081067 NXZDOBYYAUVISC-PIGZYNQJSA-N 435.506 0.755 50 20 ICGD O=C(CCn1cncn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055187 RLQQLGQEBKSKKQ-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827688257 WECJIESMZKYJSB-IIBYNOLFSA-N 443.353 0.467 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cn1 1830535885 VTZRKYMLEVRIQF-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1833206812 LPMALAPUJYETKJ-INIZCTEOSA-N 447.717 0.985 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210465 RZQWPCXYHMQZSS-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834071705 DZAZNANBLNQQGI-HNNXBMFYSA-N 425.917 0.621 50 20 ICGD CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1834405900 OGVQLVSQQMYMFN-BDUNBXCCSA-N 429.945 0.931 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)o1 1834822643 ZYUJJRLVYWNREK-INIZCTEOSA-N 431.287 0.162 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835696859 ZTOFPBGASWHYTE-OXFYSEKESA-N 440.928 0.592 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837803133 YPCDURAPZQBSAL-QGZVFWFLSA-N 429.315 0.882 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1 1838352132 BSPRWEZFTFGHAO-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838785523 IDHIMNFNZOCZNF-KRWDZBQOSA-N 446.976 0.612 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1 1839200380 JLFKEIZIAGZWLS-CJNGLKHVSA-N 447.261 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841388199 MVLDXHWZVXCNIA-QUCCMNQESA-N 449.511 0.798 50 20 ICGD N[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccc(Cl)c1 1843011166 YKYOZAGDARLWQH-SFHVURJKSA-N 427.697 0.537 50 20 ICGD CSc1ncccc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264618 PWMMPTAUBLWKOK-UHFFFAOYSA-N 426.502 0.933 50 20 ICGD Cc1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c(-n2nccn2)c1 1844761129 JKXYAXNXJKLGQR-UHFFFAOYSA-N 439.520 0.766 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845996554 NMRJSZMFPNQCCY-OLZOCXBDSA-N 428.917 0.458 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847590288 KASNAMFVSGMDCG-ROUUACIJSA-N 430.310 0.694 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Br)c1 1848329691 OVNLEIVCIVUFMC-RWMBFGLXSA-N 434.287 0.991 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc2c1OCCO2 17406770 UHDVPSJTLQKQSY-UHFFFAOYSA-N 449.485 0.857 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 726141405 IQCHUPQOEOHRQD-CYBMUJFWSA-N 444.579 0.522 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)cc1 726508313 GWOGNIKANIHIAE-CQSZACIVSA-N 430.486 0.683 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)NC(C)(C)C)cc1 728134863 PUCSJMVWMBTOTM-UHFFFAOYSA-N 427.527 0.251 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728846323 XYAIBKNAZAHAAC-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 731849227 VZECGILBSLYVEZ-AWEZNQCLSA-N 432.912 0.954 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 732261286 LWDPWUFHLYIKDO-ZIAGYGMSSA-N 428.511 0.324 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240683 WOUIZEHWVWCAKN-GJZGRUSLSA-N 440.545 0.174 50 20 ICGD O=C(NCc1cccc(-n2cncn2)c1)NNC(=O)c1csc(N2CCOCC2)n1 735512562 NPDZZSIPVNFIEX-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCn3c(Cc4ccccc4)nnc3C2)n1 741793841 AVIWBWPRTKVQBS-UHFFFAOYSA-N 425.518 0.840 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1 743262171 RRZQDFSTSUGQSI-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNC(=O)COc2ccc(Br)cc2)CC1=O 746094348 GPEBOIRJWCOGGJ-GFCCVEGCSA-N 427.299 0.385 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c[nH]1 746094849 GMJTZFKTDPIETP-UHFFFAOYSA-N 437.522 0.146 50 20 ICGD Cn1ccnc(NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1=O 747945444 HGBIBOGNJOUZMI-UHFFFAOYSA-N 435.384 0.491 50 20 ICGD Cc1nc(SCC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n[nH]1 748848701 SVVJIHKOFKDNCP-UHFFFAOYSA-N 425.540 0.285 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)CCN1 749468514 YPZUXUKGQBJOMR-UHFFFAOYSA-N 442.453 0.628 50 20 ICGD CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 750409797 AHEZNHLJIWCPAU-UHFFFAOYSA-N 425.850 0.944 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 751202643 VHEDGFYMQGRKPJ-UHFFFAOYSA-N 438.437 0.394 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)nnn3C)c1 754832147 XTWQGFVBDQGONX-UHFFFAOYSA-N 431.478 0.469 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 755900492 XFBOLLSAPKUYHL-UHFFFAOYSA-N 442.538 0.997 50 20 ICGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 755958037 PSGGXOZQEOKVJN-UHFFFAOYSA-N 447.520 0.155 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 758663556 QCGUUNDDBSHRFE-CQSZACIVSA-N 446.551 0.238 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CSc2ccccc2OC)CC1 761654782 JFEMCSAUWCXCTM-UHFFFAOYSA-N 430.552 0.932 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 762361035 LCJXEIHVEVXIDG-OAHLLOKOSA-N 436.534 0.115 50 20 ICGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 762681603 PAZFPJNDLYVXTP-UHFFFAOYSA-N 444.473 0.684 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 762860878 MLMMAHFVIFSMNJ-OAHLLOKOSA-N 440.460 0.790 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763560011 YPROMRVPSZMCEL-UHFFFAOYSA-N 433.384 0.576 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 764001973 IHYJUSYACOKYOO-JTQLQIEISA-N 425.854 0.046 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)c1 764109221 RBKQKAFFWYXRPO-UHFFFAOYSA-N 446.485 0.885 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764424954 KXXYNPBKCWOZBY-LBPRGKRZSA-N 444.238 0.127 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OCC(F)(F)F)cc2)n(C)c1=O 764813391 ZFQINGUUODLIEI-UHFFFAOYSA-N 438.366 0.525 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2C(F)(F)F)n(C)c1=O 765313488 QYSMOBSSQUZQPS-UHFFFAOYSA-N 439.354 0.305 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNc1ncnc2ccsc12 766943266 YAXKMMVNQVNZAD-UHFFFAOYSA-N 427.494 0.846 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)ccc1N1CCSCC1 783426113 FTYYNKPCPDDMKS-GOSISDBHSA-N 426.564 0.685 50 20 ICGD CNS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 784078836 ZIKGWPTVRRFLKE-IBGZPJMESA-N 445.545 0.493 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(C(=O)NC3CC3)c2)ccc1Cl 784141386 AZJODMGSUBBASM-UHFFFAOYSA-N 436.877 0.954 50 20 ICGD O=C(COC(=O)[C@@]1(O)CCc2ccccc2C1)NNC(=O)[C@@H]1COc2ccccc2O1 792782380 FRLUDVLZKQEZCH-PGRDOPGGSA-N 426.425 0.437 50 20 ICGD Cc1cc2c(cc1S(=O)(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)OCO2 794863680 CNFSLYWMNATSDZ-UHFFFAOYSA-N 440.503 0.949 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C 798308515 FKQOPNHGRPBCFL-SFHVURJKSA-N 445.520 0.103 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 799924508 FDMDPYMUBSLAKO-UHFFFAOYSA-N 440.663 0.416 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(Br)cnc1Cl 800835641 QHSOMPPBNPACCC-UHFFFAOYSA-N 437.659 0.830 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2COCCN2CC(F)(F)F)cc1OC 801346873 ASYYJCNJUCXARC-GFCCVEGCSA-N 449.382 0.271 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)c2ccco2)s1 805044665 XVLNCIBBOCIWKA-ZJUUUORDSA-N 437.482 0.417 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNc3nccnc3Cl)c3ccccc32)N1 807009798 RZZYJWCDEKMXSM-RYUDHWBXSA-N 430.852 0.609 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC2(O)CCOCC2)c1 807448006 DTENXIYGGBOKRW-UHFFFAOYSA-N 442.538 0.593 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccccc2c1=O 807459825 OUSZAHYVJWASBO-CQSZACIVSA-N 441.492 0.558 50 20 ICGD COC[C@@]1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 807554049 PWAQSSMNUJBTHC-ROUUACIJSA-N 434.559 0.784 50 20 ICGD COC[C@@]1(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)OCCc2ccccc21 811851769 RACGWBJCBNEBDU-OAQYLSRUSA-N 437.460 0.721 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)[C@H](C)CC)ccc21 815568175 XOUDNXZZNLIJPY-SNVBAGLBSA-N 440.403 0.820 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 913455108 KNCLMGLIRDLRME-UHFFFAOYSA-N 443.428 0.868 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914831731 RAMVYFNQODQKCH-KGLIPLIRSA-N 425.532 0.270 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(-c3ccccc3)nn2)cc1OC 914945794 WEHIETISVFNGEA-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD CCCCOCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 915888253 YVZBYOYYSLWMRR-UHFFFAOYSA-N 428.559 0.851 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2COc3ccccc3C2)cc1 916639034 OKOVVDQFOZMHHU-MRXNPFEDSA-N 432.502 0.950 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)n1 916640740 JVRSBSJQQWTYKN-UHFFFAOYSA-N 437.545 0.773 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)NC1CCCCC1 917903574 AFNJGXAPOFBNJI-UHFFFAOYSA-N 430.553 0.978 50 20 ICGD Cc1nccn1-c1ncccc1CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 919779221 LNZGQRSNXLMCRN-UHFFFAOYSA-N 432.444 0.967 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 919887304 ZMQPGQAWVWRRLU-JKSUJKDBSA-N 438.506 0.695 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 1116093262 OYLXQIPKZJETMB-CVEARBPZSA-N 425.530 0.827 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1781015868 SWLWHDHHJNTKCJ-BIENJYKASA-N 431.917 0.425 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1)N1CCN(C)CC1 1782219346 TVOOBMNVFNDQQX-SPYBWZPUSA-N 435.396 0.940 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783529298 HKWLFTCQURYWSC-ACJLOTCBSA-N 439.310 0.425 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1783933280 GHLSCPGSLKPRSO-QHCPKHFHSA-N 446.548 0.749 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629866 DCPXEUIZSLJVEO-FZXOMJPYSA-N 433.415 0.370 50 20 ICGD N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1789570679 IRFWGSZIKVOBKD-JBACZVJFSA-N 433.273 0.145 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(c4ccccc4)=NN3)[C@H]2C1 1790548606 WXOKEVXQIHHFID-TXTPUJOMSA-N 448.951 0.986 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1791055622 AJEPEZXWVKFABA-NAKRPEOUSA-N 445.232 0.855 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293295 SHNRSFPRLJKINB-DKIMLUQUSA-N 434.541 0.105 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797038975 GYZMXXANAPSUEE-JFILPPLUSA-N 436.310 0.964 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1797954481 PZABFCPYHGAIPI-FVCICTRLSA-N 426.521 0.837 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800156686 DPZHKAKJAREUKT-SVNGYHJRSA-N 428.324 0.643 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc[nH]c3c1)C2 1801011522 MUKZWENXEFBPCJ-YVWYUNDQSA-N 428.493 0.139 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H](O)c1ccco1 1802519724 LTBDBRZMEWQYHO-DZFGPLHGSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804322042 KTNYAQJCLFFFMF-XLIONFOSSA-N 447.256 0.557 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1804896867 CSODVEWDNSGPIW-MGPUTAFESA-N 443.508 0.213 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807045649 XOWYOHGMBIQTOF-JKIFEVAISA-N 440.342 0.465 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369877 XOAYRZXAERURAO-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1807374180 JKLGBPSVWKDLBO-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812315393 ZROZVHYSIXGBLZ-HGHGUNKESA-N 432.569 0.801 50 20 ICGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812393587 PDIBLHIRPWAXBX-DGCLKSJQSA-N 431.276 0.434 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(Cl)Cl 1813075914 KKRUFCGPVSQMIF-ZBFHGGJFSA-N 436.104 0.885 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815254135 MXRYGEYAWANVQV-BOFPYLFWSA-N 428.298 0.802 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474899 ITPODNOSURRPNY-OAHLLOKOSA-N 438.253 0.588 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncon2)[nH]n1 1819403362 GOVZRHQIGOQVMZ-CYBMUJFWSA-N 425.409 0.411 50 20 ICGD CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823003618 MZTUHCNBUSZJDG-LHLIQPBNSA-N 428.305 0.790 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825936350 VTEAGNCEOOWVPA-ZYHUDNBSSA-N 444.517 0.983 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3CC(=O)C3)sc2C1 1828066195 OPQURJHMXCOTLA-SNVBAGLBSA-N 428.474 0.347 50 20 ICGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](F)Cl)C2)C1 1828963311 ZAXZNOFUYJZYRL-VQIMIIECSA-N 426.876 0.932 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523252 STJDNQUIBREBGD-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD O=C(c1noc2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728961 ZMOJGXIQSSJXLN-AUUYWEPGSA-N 427.885 0.223 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccc1O 1830731798 MPTZSWBRISOCNB-DNVCBOLYSA-N 428.869 0.071 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739173 YOVOMJSGFFTESU-LAUBAEHRSA-N 448.907 0.746 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)(C)C 1831094260 QDZVROICPATQSW-UGSOOPFHSA-N 438.352 0.797 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310295 GEGFBNWNFOLGFU-OALUTQOASA-N 437.972 0.123 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc4c3OCO4)CC2)CC1)[C@@H](O)CCl 1833312676 WNHZZBMUJBHAOG-INIZCTEOSA-N 438.912 0.595 50 20 ICGD CC(C)(C)OC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833607156 GCTDBZUXGYFABX-INIZCTEOSA-N 431.961 0.890 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cccnc1 1834132736 DMFILFUYJBNXTC-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834821439 KEWDGGAQNWXKGQ-OAHLLOKOSA-N 446.258 0.173 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc2nncn2c1 1835581661 MSDRVQKNOLGEHA-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1835645353 HCOGWFVSASUZIR-HNNXBMFYSA-N 439.340 0.426 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837321496 OGYBFPWRBJUNMX-DFKTWGJJSA-N 449.891 0.078 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)N1 1837737675 ICSIFZWLIHOUMO-DZGCQCFKSA-N 434.306 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838434285 QARSTEKZCMCYEF-ROUUACIJSA-N 447.960 0.390 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839151093 IAHAPQPWNXYLFX-QZTJIDSGSA-N 448.303 0.392 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2c[nH]c3nccc-3c2Cl)C1 1843285643 POFLEIGSVKYOKE-UHFFFAOYSA-N 438.680 0.979 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1ccccc1=O)C2 1843416156 GORPWVYRNNOKEC-WTJYETQFSA-N 438.488 0.747 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2snnc2C2CC2)C1 1843578235 LQLPKKXMGIWIIO-UHFFFAOYSA-N 427.490 0.545 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 12701909 VMQPTOZKNRIXPS-UHFFFAOYSA-N 438.510 0.160 50 20 ICGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)Cc1nc2ccccc2n1C 726278723 XRUJKHUUYJXAOG-KRWDZBQOSA-N 429.525 0.389 50 20 ICGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cc([N+](=O)[O-])cn1 728343067 TVHANMCGCZHMFG-CQSZACIVSA-N 433.377 0.057 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C 732049876 CRDSNKOYNDEXAJ-LJQANCHMSA-N 432.521 0.543 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 732084633 SWHBFTUGOIFDTO-OAHLLOKOSA-N 436.450 0.631 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 732267420 ZFZZIVHUCSMPJQ-UHFFFAOYSA-N 425.820 0.929 50 20 ICGD CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732341328 ICNAHWLMCMMRKR-AWEZNQCLSA-N 438.462 0.991 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 737755405 DJEMZSIGKUTKAR-HNNXBMFYSA-N 447.469 0.650 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)[C@@H]1COc2ccccc2O1 741742774 JOXNHHUOTVNZGC-CJNGLKHVSA-N 427.417 0.164 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1 743293571 CDJISHQDLSYGOY-CQSZACIVSA-N 436.538 0.580 50 20 ICGD Cc1nc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n[nH]1 746092892 FSQNZGDHBPNMFN-UHFFFAOYSA-N 438.535 0.841 50 20 ICGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2 750789224 SMMJHRDZTBVVFP-QGZVFWFLSA-N 445.955 0.768 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)c(C)c1 758838749 IGMZCCJFIXJRQG-UHFFFAOYSA-N 433.490 0.461 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763551276 LOOALNRKPHKWPG-UHFFFAOYSA-N 430.392 0.791 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1 763576263 JJDRAGYTHFLEDJ-UHFFFAOYSA-N 430.417 0.589 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n[nH]1 764108751 NIUMKTWCVUNKIO-GFCCVEGCSA-N 448.505 0.538 50 20 ICGD CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231045 LTYYDTBKFQPFFA-VIFPVBQESA-N 436.943 0.864 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccccc2O)c2ccccc2O1 764279199 YLJSXPYMCJTQFT-QGZVFWFLSA-N 426.429 0.012 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)ccc1F 764288705 LALZZFCHSLPWFZ-UHFFFAOYSA-N 427.396 0.534 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CSc2ccccc2O)s1 764321898 IBLLUWVNXPCERT-UHFFFAOYSA-N 430.533 0.985 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764367817 MWQPHUAHPGFGBO-UHFFFAOYSA-N 440.456 0.462 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1I 764398076 CNQHQAOJORCONM-SECBINFHSA-N 435.218 0.429 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Oc3ccccc3)nc2)n(C)c1=O 765726876 HGFWYCDGQAQIGI-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 766264167 FCUPVFRFLBVZNS-AWEZNQCLSA-N 429.437 0.868 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1cccnc1 768244320 QNIQHBMETNMEAI-UHFFFAOYSA-N 438.488 0.088 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1=O 769240259 JWYWVDUYTHDMLC-UHFFFAOYSA-N 438.462 0.972 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 772992029 ZRAFCCUFYGMWBX-LLVKDONJSA-N 436.877 0.993 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 784003649 KIAKGCUOZVRFCF-UHFFFAOYSA-N 447.448 0.530 50 20 ICGD CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005408 ZJUYTNBYBOBONN-UHFFFAOYSA-N 445.501 0.746 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)n1 784849647 YDOLPICJJLKGAL-UHFFFAOYSA-N 428.493 0.798 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNc1ccnc(N(C)C)n1 784969480 MPURUTFKFAHDDR-UHFFFAOYSA-N 449.537 0.962 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785060173 GYZMWHWRMUDNSO-UHFFFAOYSA-N 428.836 0.676 50 20 ICGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 794598237 DHJQRXZVXLLXPX-UHFFFAOYSA-N 441.491 0.646 50 20 ICGD C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 801171863 KSQCMHFUGYVFDX-XMMPIXPASA-N 438.528 0.976 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3occ4c3CCC4)CC2)cc1 802762862 OGZANHZPQJWNPO-UHFFFAOYSA-N 446.529 0.844 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(F)n1 804770474 CZMCZUYIFWLFRF-CYBMUJFWSA-N 430.483 0.446 50 20 ICGD C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807476179 AKFNJAJQYBXQRJ-IUODEOHRSA-N 428.536 0.403 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2nnc(C)s2)cc1 812485321 GXOQPOJTMCINQD-UHFFFAOYSA-N 426.524 0.349 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccccc2F)cc1 812728079 GQRVIOLJQGISHJ-UHFFFAOYSA-N 430.483 0.498 50 20 ICGD Cc1cnc(Br)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 812984856 WXXRRPRQFQBQFC-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CCn2ncn(C)c2=O)c2ccccc2c1=O 814734016 UBOALOQRHZJAAS-UHFFFAOYSA-N 427.465 0.333 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1C 815752462 TUYWUAPNFNHMOD-UHFFFAOYSA-N 433.490 0.687 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 1321729774 UXCLCXNBNMZXDA-UHFFFAOYSA-N 446.508 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630278 CIMHGKAZMYZSED-IBGZPJMESA-N 434.522 0.212 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)on1 1779371232 VIIFHGDMAAXNJN-DYESRHJHSA-N 442.476 0.423 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1780814862 AZDUIMTUMSVTOF-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ccc1O)C2 1782213237 GUCPYMHBFFWUJF-XMSQKQJNSA-N 448.520 0.598 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1783533977 NJDSIVJVBTVCJI-ZANVPECISA-N 431.205 0.705 50 20 ICGD CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)N(CC)CC 1784631743 GRLXHAVHNHVDSY-OKYOBFRVSA-N 439.601 0.460 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1787628320 QSKZPCJAGLXUFT-MPTYRVRUSA-N 428.917 0.377 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093279 NNDZSYZOYNEEQI-KSWSHJMHSA-N 444.319 0.405 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1791257239 SYLSNBAQVXVRFE-VFFTVRQLSA-N 428.869 0.651 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1cnnn1 1791917388 RQODLVXTRVCMHN-AWEZNQCLSA-N 434.265 0.362 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2)[C@@H](O)CCl 1792974838 DFTKNEOAEULZMV-HRJSJKBJSA-N 437.880 0.174 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CCC(CC1)CC3)C2)c1cccc(B(O)O)c1 1795740971 UDVYFJSHFZAFTP-BUOXLWHKSA-N 426.322 0.540 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc(OCF)cn1 1796190888 YPNMHAUPMHVGJR-MUJYYYPQSA-N 428.229 0.028 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSCC(=O)O)C2 1796893559 HFKLQPXOELSFHA-ZVMOGAGKSA-N 435.506 0.576 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cnccc2n1)c1ccc(B(O)O)cc1 1797406169 NFCMHEDPNOYNDB-REPLKXPHSA-N 430.273 0.875 50 20 ICGD Cn1ncc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cccc21 1797632420 HGMXMBAZKUWQGC-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799274251 TULNUGJHIPDDJS-VAECKANCSA-N 427.350 0.719 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2)[C@H](F)Br 1799349844 LXRNESIQDWJPNN-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD CNCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799865036 ZKERSNJMCWTVGK-ACDBMABISA-N 444.580 0.970 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nn(C)cc2c1 1799911638 SHAIOPJNSVZWME-UPHUGPLXSA-N 442.520 0.150 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800392284 RISQUSYSEDVQKC-CGOYYEKTSA-N 427.350 0.390 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800639844 OXXHKPNOVCZGCL-BPKGMFCQSA-N 439.354 0.715 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2C1 1800681976 NKONPDGJESIODD-GJPOJAMWSA-N 442.560 0.754 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C2 1801008942 IZSDJRZQAITOND-YNKYUYGSSA-N 446.523 0.892 50 20 ICGD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802126683 MLRKJOWLHVLUIA-DGADGQDISA-N 447.960 0.869 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1803004431 GPRPPFFRSNKNRN-XSZIFJNNSA-N 440.504 0.992 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1)C(=O)O 1807209019 JABOHSSHXRTSPY-MPTYRVRUSA-N 426.901 0.404 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364205 SPAGIWXSZROIEJ-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364622 QXSCNFSEPAIRAM-UWJYYQICSA-N 439.277 0.034 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807768071 IZGVOIYDIMFYMM-UWJYYQICSA-N 447.304 0.680 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1CCCS1 1813612293 TWSXJZSHVAQKCP-DFQSSKMNSA-N 439.346 0.977 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815343654 HOJPAFWKSRILBT-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD Cn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354991 KQYDZLNNJAHWAT-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccn(C)c2=O)n[nH]1 1815418034 HVDNHKRRXTXTSK-INIZCTEOSA-N 443.508 0.787 50 20 ICGD Nc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cs1 1817384842 LNSHOJSZNPQSJK-HNNXBMFYSA-N 440.294 0.748 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474147 NOVQFVZOAOYLSY-IRWQIABSSA-N 428.298 0.802 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1819463273 NPJVWDYMHOUXAW-OQPBUACISA-N 449.327 0.905 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(CO)on1 1820346585 BKVVBGGJPJXWBL-QGZVFWFLSA-N 439.237 0.190 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)Br)n[nH]2)C(=O)N1 1820932243 ZPGQLSNUEBUBON-TVQRCGJNSA-N 445.249 0.644 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1 1822416579 IJOKBILJCGYQHK-OAHLLOKOSA-N 431.501 0.457 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1ncc[nH]1)CC2 1826091939 FUVFWZIUGFLYFB-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829799102 BZDDKQWPZMSAJT-KSSFIOAISA-N 429.926 0.694 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)Br)CC2)C(=O)N1 1830375268 AEINLGHTWIAKNA-WFASDCNBSA-N 447.305 0.848 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830738823 UVMWOVFUAPRNFN-UWJYYQICSA-N 440.924 0.602 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831191409 MUSKTDNKIAFSLI-OGHNNQOOSA-N 434.331 0.141 50 20 ICGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)nc2s1 1832104119 INWGUVBCPKSGDS-WMLDXEAASA-N 445.904 0.633 50 20 ICGD O=C(CSc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832701220 IQAONEXFJUEPMY-YJBOKZPZSA-N 429.926 0.230 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)c(F)c3)CCO2)C1 1833487487 NGJIVTBYNGKVLP-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)CCBr)CC3)CC2)O1 1836901031 YDGIVRSRWFUZOZ-AWEZNQCLSA-N 432.315 0.878 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838198714 MDBQOCZRYQFSSL-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD CCC1(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)COC1 1838741061 RMKWMNVOOFGLBZ-UHFFFAOYSA-N 438.569 0.785 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105687 ABIDZEIYNLNULV-SQGPQFPESA-N 430.977 0.096 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198122 URGMQEYPSKOOCR-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839201878 MNVGUKKGLJMPRJ-BBRMVZONSA-N 429.246 0.647 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839963268 GHFKKMOHBQYEDA-YVEFUNNKSA-N 443.298 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840149117 DWDUAMPWGWECAO-FXAWDEMLSA-N 442.896 0.481 50 20 ICGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1)OCC 1840282432 PYDCUVFNDBAGPX-BEFAXECRSA-N 436.933 0.486 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437532 RDHVPKCJNFWCNZ-PXNSSMCTSA-N 442.944 0.290 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840483477 OVDPOGNZMCBWJE-RHSMWYFYSA-N 446.273 0.355 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841571638 VDOMPAQAOARERR-LEWJYISDSA-N 434.301 0.996 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1843416155 GORPWVYRNNOKEC-DTVDJLOLSA-N 438.488 0.747 50 20 ICGD C/C(=C/C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2)C(=O)O 1846994912 KALHMOFCLDELRF-WJDWOHSUSA-N 443.504 0.567 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847773461 BYVIAQFVCVBCOC-LRSLUSHPSA-N 434.301 0.994 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1OC 15525056 VKSRJZMBOQPSRP-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD O=C(NNC(=O)c1cnc2sccn2c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17516771 NNZFPJVKBNAUGR-UHFFFAOYSA-N 447.498 0.615 50 20 ICGD CCOC(=O)/C(C#N)=C/NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 18992289 ZSVRHIQAXLGLBF-VAWYXSNFSA-N 425.423 0.503 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2C1 29385806 LADROVABNDYMJP-SNVBAGLBSA-N 427.486 0.893 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 726523190 FOFJZMUVPMNMJB-IBGZPJMESA-N 444.513 0.741 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728343016 OQGOVYSVWHDCQK-RLFYNMQTSA-N 447.488 0.802 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 732196800 HBZLQPVSEZZOQF-GFCCVEGCSA-N 427.483 0.066 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734239892 YXJKBEXJCPBKRI-UHFFFAOYSA-N 445.498 0.337 50 20 ICGD CCc1cc(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)nc(-c2ccccn2)n1 738538922 SPLWDDVNACAOAS-UHFFFAOYSA-N 434.460 0.747 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)C[C@@H](C)O1 740746104 JPCUKUCXXZWQKF-TXEJJXNPSA-N 431.478 0.908 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742239712 BOOXZTFXEIDWSZ-QWMNRZJFSA-N 429.473 0.769 50 20 ICGD C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 743341979 XIIGRBQBSJGQGI-SNVBAGLBSA-N 426.417 0.848 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 744387024 UUOCJJIPLAHUIO-UHFFFAOYSA-N 435.440 0.506 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744816156 KMHRUQSIPYFDRR-INIZCTEOSA-N 425.507 0.894 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744819088 UBYCPPJYFMCPMK-MRXNPFEDSA-N 436.490 0.457 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 745862126 GWMZWFHKORRYQW-HNNXBMFYSA-N 429.525 0.151 50 20 ICGD CC(C)OCCN1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 747592429 ZRRYXZUCZAMMRZ-UHFFFAOYSA-N 433.557 0.913 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)c1cccs1 750220076 QVSHXSGUYUJMAO-UHFFFAOYSA-N 437.908 0.746 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)cc1 750365652 GTSUWOJFMAFATB-UHFFFAOYSA-N 438.440 0.244 50 20 ICGD CN1C[C@H](NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1=O 750653070 OAEILOSJBDJBRZ-LLVKDONJSA-N 437.503 0.724 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1=O 752022994 JPKIADIEVMARIE-MPBGBICISA-N 441.448 0.242 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cc(OC)c1OC 752907594 LHHDWOAVLSVSNZ-UHFFFAOYSA-N 441.444 0.832 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 753287229 HHEXGPKEFFZEEN-SECBINFHSA-N 435.256 0.797 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cnc21 754831310 UFHPVJZWVPOCSB-UHFFFAOYSA-N 443.489 0.613 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NNC(=O)CO 755438690 ICZZKUINEKBIOJ-UHFFFAOYSA-N 427.527 0.852 50 20 ICGD O=C(NNC(=O)c1cnc2nccnc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 758815337 RCMHKPZIUKJLKZ-UHFFFAOYSA-N 442.457 0.121 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)cc1F 763571277 LRYISVGKMRLJHC-OAHLLOKOSA-N 435.339 0.677 50 20 ICGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 763797472 SWAUHDFLMDTBNS-UHFFFAOYSA-N 448.505 0.167 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc(C)c1CC 764002685 QEKRDSDCOWFFHN-JTQLQIEISA-N 445.519 0.316 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764085650 RHOKXMJFBDUTFH-LLVKDONJSA-N 446.913 0.493 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 764126230 IAVJIYMDAZBOES-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 764204051 RMBSXEOIECLRIT-UHFFFAOYSA-N 425.417 0.315 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 764297307 NWFVBMCBWUSKMC-UHFFFAOYSA-N 448.505 0.538 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cccc1-n1cnnn1 764352033 XOLQMYUNWXPGQK-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CCOC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 764432542 FSPPAIFEQQXPJQ-UHFFFAOYSA-N 441.444 0.935 50 20 ICGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765119477 RRVMEGAHRPPLGM-UHFFFAOYSA-N 426.930 0.499 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)CNC(=O)c1cccs1 765382683 OLVTWOUSNPUODQ-UHFFFAOYSA-N 444.517 0.149 50 20 ICGD CC(C)CN1N=C(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCC1=O 766630689 HGYLBXSNJXGFRW-UHFFFAOYSA-N 429.886 0.383 50 20 ICGD CCc1noc(C)c1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636168 LLENKRGSGQNNFS-UHFFFAOYSA-N 449.533 0.621 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 766838341 NZTRRGUPCDSYFP-UHFFFAOYSA-N 449.533 0.296 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 768245010 RAMAICAGYGAPKV-UHFFFAOYSA-N 434.312 0.766 50 20 ICGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 769597198 NNELZOPNUMMKHU-UHFFFAOYSA-N 430.384 0.580 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCc2nnnn2CC2CC2)c2ccccc2c1=O 771375408 UDCPNIUBNBBOGU-UHFFFAOYSA-N 439.480 0.737 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 771443964 WOFKEZYJNXIGIX-XMSQKQJNSA-N 431.537 0.867 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191928 GVMDPYKBVSVRRQ-GJZGRUSLSA-N 434.880 0.669 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)[C@H](C)O)cc1 779535408 WQLZUTPOXCXBHB-GUYCJALGSA-N 441.531 0.570 50 20 ICGD CCn1cc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 780198584 SRIADXUJSLXTSV-UHFFFAOYSA-N 449.533 0.247 50 20 ICGD O=S(=O)(CBr)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 782476327 XJURXFRZZSDTCA-UHFFFAOYSA-N 427.298 0.103 50 20 ICGD O=C(NNc1ccc(-n2cccn2)nn1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 783436217 IABYQSVJLCMRFW-UHFFFAOYSA-N 436.476 0.619 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005132 QCHWHWBEVDZTBN-UHFFFAOYSA-N 443.485 0.465 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 790951181 DQAUDFXATFEULM-CYBMUJFWSA-N 431.449 0.488 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCC[C@]1(C)NC(=O)NC1=O 801431864 QTXFIGYGNYSXGW-SFHVURJKSA-N 440.840 0.421 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)cc1 808081727 YOUKXANKVSIYMB-UHFFFAOYSA-N 443.503 0.712 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1OC 810069202 XRQMUHAMONIONU-GFCCVEGCSA-N 446.426 0.855 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 816510308 RMYNOTXMJJUZPA-NSHDSACASA-N 434.457 0.582 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NNC(=O)C(=O)NC3CC3)cc2)C1 918227670 IDYSXOBHOUXDSV-ZDUSSCGKSA-N 437.522 0.216 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc3c2COC3=O)c1 918726828 RLSLDYWUHHORLV-UHFFFAOYSA-N 439.471 0.231 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 919350210 OQNLBYBYPCANCG-HNNXBMFYSA-N 434.518 0.633 50 20 ICGD COCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 920862916 DVJBBLHIQZSUQK-KBPBESRZSA-N 428.511 0.465 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1C(=O)CCC1=O 1251653813 OVYJWYLWUXOGAS-AWEZNQCLSA-N 447.451 0.743 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)[C@@H](C)CN1CCOCC1 1317717901 SMKZQVCQVXHYOR-GXTWGEPZSA-N 431.946 0.623 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1Cc2ccccc2CN1 1778027629 PFSKLLLPZMKCDF-JPAWQOSXSA-N 435.952 0.815 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1ccc2c(c1)CNC2=O 1779157520 BSUMNOFFCNFRCU-CBGDNZLLSA-N 435.908 0.657 50 20 ICGD C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374668 BDVXJFFWDHENKK-XMSQKQJNSA-N 427.505 0.616 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1779544019 VZSRKVBFFLSCQY-OXQOHEQNSA-N 425.602 0.974 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1780294809 PHODWCCPTWLRQL-NRFANRHFSA-N 441.492 0.289 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCO2)C1 1781972027 CDNMUNZRGFLTRC-NTXWZOLCSA-N 445.520 0.813 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783349188 JALQTYGEWAUAFB-IGCXYCKISA-N 433.347 0.697 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783499221 ZYTRGXPZZXHONR-AJNGGQMLSA-N 434.400 0.798 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1783872772 HCEMZVICHYYFMV-PXNSSMCTSA-N 433.896 0.965 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934954 OGCWMNQSGCWHOG-VGSWGCGISA-N 432.521 0.657 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3[nH]1)CCO2 1783935323 SHVPIMRNZRBYBC-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945342 IAEADYPTMNBUJR-OAHLLOKOSA-N 428.338 0.046 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C[C@@H]21)[C@@H](O)CCl 1784085211 DCSCGYBOKAKYDE-GQGQLFGLSA-N 443.859 0.856 50 20 ICGD O=C([C@H](O)CCl)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)Nc4ccccc4)CC3)[C@H]2C1 1784557778 JPZAGAMNTXPYMQ-OWLYRPNTSA-N 449.935 0.985 50 20 ICGD CC(F)(F)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784635719 BWDJEYWBSADEQK-XIRDDKMYSA-N 438.280 0.641 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)C[C@@H]21)c1cccc(B(O)O)c1 1786984243 UEVNAFZICJMLHD-QEJZJMRPSA-N 449.725 0.383 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787427493 SNPOTEGQNNIBLS-OKKJGQSOSA-N 433.459 0.137 50 20 ICGD CS(=O)(=O)CCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788145187 IWTYWIAHEQSFLT-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788750888 CUBHLKFRAWIOPQ-AICCOOGYSA-N 430.343 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCc2ccccc21 1791384800 AFKZAULFGGCEDA-QGQQZZQASA-N 448.328 0.690 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1cccc1 1791518130 YTFPMNJPAHZABH-LNMJFAINSA-N 440.504 0.341 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)cn1)c1cccc(B(O)O)c1 1794783621 NIIDEJMLYHTVOP-MUJYYYPQSA-N 445.231 0.928 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(F)c1 1794850667 XIGQGMBMZBEMGX-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1n[nH]c2c(F)cccc12 1796189084 UMHTYLIQAQLJFD-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1796892584 SXACGGARBOWKFA-DPEPCVEMSA-N 443.552 0.006 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1800759717 DFNYHFYDKRUXME-UZVBGSJOSA-N 442.354 0.760 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978481 VGOPFIQEQXWFPW-MRXNPFEDSA-N 429.326 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)C(C)(C)C)[C@@H]1c1cccnc1 1813067805 DUMAWTONQUEUKF-DBVUQKKJSA-N 433.553 0.867 50 20 ICGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2 1814927331 BDOBDIPYSXDROI-RDDDGLTNSA-N 433.307 0.586 50 20 ICGD O=C(CN1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817134078 UYEZCUXDAJPWTH-IBGZPJMESA-N 439.325 0.881 50 20 ICGD Cc1nccn1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821733420 JUYLJHISNRFUGD-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415192 VZIIOFFUXPTBGU-ZBFHGGJFSA-N 445.528 0.703 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1824459393 PVHJJDXBXYYJPS-VNQPRFMTSA-N 437.990 0.534 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830541114 XWVQCZWLVDTCJW-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1830544945 CJRPLUJDJOISRB-VKJFTORMSA-N 443.342 0.932 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1830545237 ILXLTLOQYRWXBV-IMBDGTDHSA-N 441.326 0.910 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1834120327 KKXZVWRHZNHVSN-CXAGYDPISA-N 429.315 0.582 50 20 ICGD CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834569236 MFELNZOMRJHUAT-UHFFFAOYSA-N 438.388 0.388 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C34CC(C3)C4)CC2)CC1)c1cccc(B(O)O)c1 1834801462 LSHZUALNQKWBHK-UHFFFAOYSA-N 425.338 0.352 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819160 IGRFWBZGSARHSA-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836239159 AAWBNBXZONTCMD-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648623 OZTPFHFUAWWLPB-GRDNDAEWSA-N 444.330 0.154 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197693 FTLNTNSYXJCBBQ-CJNGLKHVSA-N 432.246 0.081 50 20 ICGD CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198509 GBVCVBVXHQPJDD-CJNGLKHVSA-N 425.295 0.948 50 20 ICGD N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1ccccn1 1839199838 WQKZBAZMJAJOQF-GRDNDAEWSA-N 445.289 0.228 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152296 DVJDPUBVDKIZAI-KDOFPFPSSA-N 431.873 0.145 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncn(-c3cccc(F)c3)n2)C1 1842168804 ATMFGJONSUXFCT-UHFFFAOYSA-N 449.251 0.217 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843212442 UHOYARZEHIPRAI-UHFFFAOYSA-N 449.393 0.625 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)co1 1844250523 ZZHZAZMOLUTGLE-UHFFFAOYSA-N 441.564 0.954 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)c1 1846918212 HYRZLCIVMKLSOD-UHFFFAOYSA-N 436.273 0.592 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 11006034 HOWMUFYVWDFNQV-UHFFFAOYSA-N 447.469 0.554 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 727843072 AZBWVSJKVFUKPX-UHFFFAOYSA-N 432.506 0.978 50 20 ICGD CN1CCN(C[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2)CC1 727844120 DNCFIZIAUAGPLV-QGZVFWFLSA-N 444.561 0.797 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 728746871 PNYSFRHTAQLSIF-JTQLQIEISA-N 449.327 0.826 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)n2)c1 737765936 CNMAGKKPZYYJKS-UHFFFAOYSA-N 432.437 0.732 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN1C(=O)OC(C)(C)C 743509622 IIWFOPAYUXJIJZ-ZDUSSCGKSA-N 430.469 0.958 50 20 ICGD COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)c1 744385396 ZUKDCMMGNUMLDC-UHFFFAOYSA-N 446.551 0.035 50 20 ICGD Cc1ccc(OCC(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)cc1 744392880 FEJPYZUGUUEJHB-UHFFFAOYSA-N 435.484 0.851 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 744637945 SWMYFZXVFFCQKZ-UHFFFAOYSA-N 435.396 0.228 50 20 ICGD N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 750046656 GIVKYPDOUGDBNL-FWXPASAKSA-N 433.490 0.380 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 751207081 RBGHGZYYNQRXPH-UHFFFAOYSA-N 448.501 0.574 50 20 ICGD O=C(NC[C@@H]1CCCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753256727 YMPQZADCMAAAAE-HNNXBMFYSA-N 442.563 0.937 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2C1 754173610 GVCHDFSFEKWOFW-AWEZNQCLSA-N 437.460 0.548 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2c(C)nc3ccccn23)n([C@@H]2CCS(=O)(=O)C2)n1 755537996 YSQPRYJQWHTQLD-CYBMUJFWSA-N 431.478 0.974 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 756206921 NFYNUHXOLOCKGZ-SFHVURJKSA-N 446.485 0.914 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 756433198 APBOGCMBXOIFJA-LLVKDONJSA-N 435.528 0.237 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 756761637 QKPVMJICFXKWGC-ZDUSSCGKSA-N 437.478 0.751 50 20 ICGD NC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)nn1 757670355 FWZPMHWHSJULPG-CYBMUJFWSA-N 433.266 0.972 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1c(F)cccc1-n1cccn1 763572006 KJTQYCUVTNYLQL-INIZCTEOSA-N 425.376 0.937 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764363443 PDTPIJQSOJTHBM-UHFFFAOYSA-N 434.474 0.240 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNc2nccnc2OC)c1 766263797 AMGMGOJHZHWGBE-UHFFFAOYSA-N 425.405 0.848 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCc2c[nH]nc21 767225951 AOHZJLKLWOOIAG-MRXNPFEDSA-N 448.505 0.452 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 771212845 CQMSVISNPLXINR-HXUWFJFHSA-N 441.400 0.832 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(C)c1 778436299 GIKPDTZBYLUFQL-UHFFFAOYSA-N 442.538 0.952 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 778941628 NSCIRHVZPXQCKO-UHFFFAOYSA-N 445.505 0.692 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 779846964 PTKDRRMLTDHJRF-UHFFFAOYSA-N 437.272 0.381 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1C 783262289 CGVYWNIHOJDUGE-UHFFFAOYSA-N 448.505 0.518 50 20 ICGD CN(NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 783429925 RBLYNNXKKIVLCZ-UHFFFAOYSA-N 432.506 0.269 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H](C)O1 790482709 BDYYWJQAMMWJOU-NUJGCVRESA-N 425.551 0.852 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCC(NC(=O)C3CC3)CC2)ccc1Cl 792808904 JYHABQXOIQWUFS-UHFFFAOYSA-N 442.925 0.833 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 794076299 NIOQFVRLRALTPO-UHFFFAOYSA-N 429.389 0.398 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1cnc(C#N)n1 798827246 WZUJMSFSADOBAC-CQSZACIVSA-N 442.439 0.930 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 800055604 QXRMRKQJRHZXNP-FZMZJTMJSA-N 447.539 0.144 50 20 ICGD CCOC(=O)N1CCC(NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 807007666 MMFCJYMFTVXDFR-UHFFFAOYSA-N 440.526 0.853 50 20 ICGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 811675351 PMBQVZJMLXORAH-UHFFFAOYSA-N 432.414 0.845 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccccc2c1=O 814214543 BVGDCDDFNMMMEA-UHFFFAOYSA-N 448.439 0.734 50 20 ICGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 887561296 CZSCWPJZIFHDPT-GOSISDBHSA-N 437.566 0.160 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 913156728 DQTYPXJZJSRKFX-UHFFFAOYSA-N 448.501 0.566 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914833398 FISRHUQLIVKNSM-OCCSQVGLSA-N 440.547 0.439 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C2CCCC2)c1OC 914844841 BTYBJVOQWUNWHX-UHFFFAOYSA-N 441.506 0.676 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1OC 915056432 HETFFVXHLQRAJG-UHFFFAOYSA-N 439.494 0.347 50 20 ICGD O=C(NC[C@@H](O)COc1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1 916469022 WDOROGQYYCSPCA-CYBMUJFWSA-N 439.469 0.503 50 20 ICGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 918401512 GPYLYJIQDXYKDK-JTQLQIEISA-N 439.523 0.200 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933500 MFHHZLSRYPORES-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1783934296 DGJAJBZPGIFBAO-IBGZPJMESA-N 434.522 0.212 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510458 KYSCPXGTIQSSNG-XAFSDANYSA-N 440.880 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)Cn3ccncc3=O)cc2)CCC1 1791046991 IURPWMUFYBZBRU-UHFFFAOYSA-N 440.504 0.750 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)cc1 1793109884 IKHWOOFEICMJDA-JYYAWHABSA-N 428.938 0.871 50 20 ICGD CCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)COC1 1796443953 RVXJHZYXWUESOC-AMFOTSNXSA-N 431.493 0.137 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccccc2n1C 1796771133 SUEIPBPXZMGXJY-FAQVEIGNSA-N 441.532 0.755 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1797952804 MCGZHXDLJOOVAL-PEGIJTEDSA-N 444.454 0.783 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798350850 NMZCUHQVSSITQF-BCDXTJNWSA-N 442.350 0.583 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799082617 HJGHIVLYFOYCCE-CWPLJXCYSA-N 431.569 0.713 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cncs1 1805971568 DGWXDUXNWQOXJC-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362551 VVSVKGAGDFQRSD-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1809606702 VAEDKKSNQUEYSU-HBFSDRIKSA-N 437.972 0.589 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1810313114 ZCFHRIXVKUBHNV-ZMSDIMECSA-N 441.985 0.825 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccncc2O)[C@@H]1c1cccnc1 1810665923 FAQJELNSAVZTQB-IERDGZPVSA-N 440.504 0.875 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347974 AHSPOTMJRDVPPO-GDXASINISA-N 442.306 0.089 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348365 LKXSVDDAAYMXBU-OWNNVSBGSA-N 437.290 0.485 50 20 ICGD C[C@]1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCCN1 1822766965 YYOFSJZBRZYZRX-JLTOFOAXSA-N 428.323 0.191 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825079343 YDOWNVIYZLNRLU-KKUMJFAQSA-N 428.917 0.458 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1825647496 PBSNQDHBIYAMGW-IUCAKERBSA-N 441.307 0.764 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1830354168 SEMXWNVVYUVSMR-HXUWFJFHSA-N 441.912 0.023 50 20 ICGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830366262 MXALGAQVHXEZAZ-SFHVURJKSA-N 434.990 0.192 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830532930 BBOFEIWWNDZMHO-JOQOYGCGSA-N 448.358 0.389 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833307842 AHOGEIIAWPFEPS-QAPCUYQASA-N 425.961 0.691 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870011 ZIRJIAZDHFWTKR-MGPUTAFESA-N 425.913 0.863 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1834087203 FSWZZYUIWGIKHW-DYVFJYSZSA-N 427.299 0.638 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1834121934 PWLIYZLQLZHWSM-CJNGLKHVSA-N 433.278 0.489 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823271 LXRKQTCRPSWZMX-KSSFIOAISA-N 433.343 0.801 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835506779 JDGPJPMGGVSJAF-HTAPYJJXSA-N 441.381 0.988 50 20 ICGD Cn1cc(CCC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1836716937 YWHAULWGFJSQSA-SFHVURJKSA-N 426.945 0.951 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)o1 1837711339 DZNYRDXVLGUZFV-GOSISDBHSA-N 426.546 0.228 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620287 CAWZWRSZBOCYRF-IYJAJMOOSA-N 436.380 0.944 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198148 VRCAFBSDQDXHSR-PBHICJAKSA-N 446.273 0.851 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)on1 1839199397 VVYRYLSRJBEFTA-ZBFHGGJFSA-N 434.262 0.672 50 20 ICGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199983 BHNHILHKFPOJEY-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840034473 MYJMQSIOFQPYOI-MEDUHNTESA-N 445.270 0.776 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421598 YDURVAYNKMUQRP-KEYYUXOJSA-N 444.330 0.469 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840457564 GEXQIXCVVUODER-FQEVSTJZSA-N 436.585 0.717 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CC1 1841788086 ARHQUWAZLNQRGA-AWEZNQCLSA-N 445.944 0.552 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)C(=O)OC(C)(C)C 1844264052 YMEUUSKTRMGKID-UHFFFAOYSA-N 446.508 0.369 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 15940049 SMSCYHPHGJUXPT-UHFFFAOYSA-N 443.485 0.615 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(I)ccc1O 725902307 JTLLQKSHYLMETF-UHFFFAOYSA-N 429.170 0.781 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 726164090 NWRBFQORGYICDL-ZIAGYGMSSA-N 449.464 0.930 50 20 ICGD C[C@]1(NNC(=O)NCCCNC(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 726710999 CALRENGYKYFPQT-INIZCTEOSA-N 447.355 0.950 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 730144576 BTYJXDVGUUWALL-UHFFFAOYSA-N 447.477 0.252 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@@H](C)O1 732260622 WSJJMZDHPIBDOP-TXEJJXNPSA-N 428.467 0.259 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732474779 WJYACOHTDCUQBC-OAHLLOKOSA-N 444.579 0.906 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)CC(C)(C)C)CC1 735117482 UUVBASXBSJJLKF-UHFFFAOYSA-N 426.543 0.013 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 742036031 ATGYSZQXLNOPNX-UHFFFAOYSA-N 443.485 0.579 50 20 ICGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)n1nnc(-c2ccccc2)n1 742478313 MVGYMRWZNDSHHX-GFCCVEGCSA-N 428.478 0.655 50 20 ICGD O=C(CN1CCN(c2ccccn2)CC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 743328019 JNJCIVLAQLWSNA-UHFFFAOYSA-N 430.534 0.788 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 746096831 NORXVDAVOTYJSG-UHFFFAOYSA-N 432.462 0.023 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(F)cc2Br)n(C)c1=O 748074755 AVUOHLQDJFOADW-UHFFFAOYSA-N 439.245 0.869 50 20 ICGD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 750669880 GHLKPQFWENHEAU-ZKDVCIDWSA-N 444.579 0.961 50 20 ICGD COc1ccc(N2CCC(=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)CC2)cc1 750932874 RTAROPKWOXTDMP-UHFFFAOYSA-N 432.506 0.352 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 756032244 QWSLGWZSLGTIPK-UAHGDZPKSA-N 441.510 0.704 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756656358 WFLDCAMVGOUVBD-UHFFFAOYSA-N 426.437 0.165 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2F)cc1 756784601 PBHXUWYLQWQPEC-UHFFFAOYSA-N 440.453 0.982 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2ccccn2)c(OC)c1 761269931 FWYRFGFEGWSBAQ-UHFFFAOYSA-N 428.492 0.404 50 20 ICGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 762385071 LPGFKUQZOLIUAP-HNNXBMFYSA-N 437.522 0.426 50 20 ICGD Cc1c(C(=O)NNc2nccc(N3CCOCC3)n2)nnn1-c1cccc2c1CCN(C)C2 762856307 KCWAFUYAGYUEQI-UHFFFAOYSA-N 449.519 0.947 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)cc1 763659319 LPPFMADKIGRHFU-UHFFFAOYSA-N 427.417 0.390 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c2ccccc2O1 763838908 BHNQJUGEGAXHOZ-MRXNPFEDSA-N 431.376 0.319 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1C 763942080 MEPRUVCPRYHLDU-SNVBAGLBSA-N 432.506 0.524 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n(-c2cccc(Cl)c2)n1 763996684 FOJJLMCKXSNFRS-LLVKDONJSA-N 439.881 0.355 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 764098094 KAHNWJHPWROUOU-UHFFFAOYSA-N 449.367 0.420 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1O 764127610 XXMRZLHXCWHVBB-UHFFFAOYSA-N 433.852 0.985 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCN3CCC[C@H]13)c(=O)n2Cc1ccccc1 765565220 WJCKFOLCNZQCFO-GOSISDBHSA-N 449.515 0.768 50 20 ICGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1OC 777938861 HLXVCNJEPZLRQN-UHFFFAOYSA-N 447.466 0.325 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COCc2ccccc2)[C@@H](C)O)cc1 779518823 HRUCDEUGTAMBTB-DNVCBOLYSA-N 435.502 0.387 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782831522 SKUXHFFOXGPNPF-UHFFFAOYSA-N 432.458 0.575 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 786725893 YVRRBWRNCPTCAU-MNOVXSKESA-N 440.927 0.498 50 20 ICGD CN1C(=O)N(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)C12CCCCC2 789048097 NPROSOAGAGETKW-UHFFFAOYSA-N 426.437 0.020 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)c2ccccc2c1=O 789868370 DOMOPXDQKGCMEB-HNNXBMFYSA-N 442.497 0.913 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)[C@@H](C)O)cc1 791811730 WDQRULHIMAPVJC-UZLBHIALSA-N 449.529 0.866 50 20 ICGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792841552 ASKLROGJPCRJPJ-DNVCBOLYSA-N 441.550 0.849 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)C[C@H]1CCCOC1 795333102 DRPNCKXCPRFCBH-INIZCTEOSA-N 444.985 0.835 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797535935 SHDFWKOETMXPQC-UHFFFAOYSA-N 431.880 0.896 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 799257506 LQJNCQQEAVEOQM-UHFFFAOYSA-N 434.412 0.832 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 806977979 HLUNDOKNCAXCIQ-DTWKUNHWSA-N 440.400 0.040 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 807370603 OKCMVLXOJUOEHV-OJNOIJSXSA-N 446.504 0.726 50 20 ICGD CN(C)CCN1C(=O)C(=NNC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 807959534 VHVVWESZHCKLOH-UHFFFAOYSA-N 442.545 0.951 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1=O 812956885 GNJYHRYCEDHRIS-UHFFFAOYSA-N 437.478 0.810 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 815564929 XOTZVSCKKHTPCU-UHFFFAOYSA-N 431.449 0.803 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)ccc1OCCC(C)C 816828714 MUKNZDSQGAWICF-UHFFFAOYSA-N 430.527 0.619 50 20 ICGD CC(=O)N[C@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 839244364 HDEINXSTKOUISB-CJNGLKHVSA-N 447.469 0.846 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915858289 WKASDAXPSIUDPD-QGZVFWFLSA-N 446.464 0.769 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916029995 LQJIMPALTLHORC-UHFFFAOYSA-N 445.563 0.693 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCc2cccnc2OCCOC)c2ccccc2c1=O 916511043 VWRPMEUNGHFQMP-UHFFFAOYSA-N 440.460 0.981 50 20 ICGD O=C(COC(=O)c1cc(F)cc2nccnc12)NNC(=O)[C@@H]1COc2ccccc2O1 917983172 HLNLOQANDWJESO-INIZCTEOSA-N 426.360 0.913 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CC(=O)N(c2ccccc2)C1 921077565 QFPWZQUAUFOTBP-CYBMUJFWSA-N 430.490 0.729 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1777984249 VSNWDZPMNFSANX-XSUJLISDSA-N 437.310 0.638 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)cn1 1778205174 PVHHSDPHZZBLMS-JXXFODFXSA-N 439.896 0.595 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778556262 LPPUROODDQPVLB-CJNGLKHVSA-N 431.262 0.800 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1779034539 QVFBBDDFYUWHFM-JOCHJYFZSA-N 439.472 0.077 50 20 ICGD CCC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)COC1 1779374154 FJEYTAXFCDEQLR-VGOFRKELSA-N 445.520 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071273 FLNRVDRPYYZUHS-PXAZEXFGSA-N 425.898 0.784 50 20 ICGD C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969109 VKHIUTPHGDXCEA-HRAATJIYSA-N 449.577 0.481 50 20 ICGD O=C(/C=C/C1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781284237 SVHXHDCVYHYBJL-VMMLISQSSA-N 426.322 0.946 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334007 UHXWGZASHKJGRD-CXAGYDPISA-N 428.258 0.920 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1781351144 IARWJNJUEADEAG-IAISJRAMSA-N 437.896 0.626 50 20 ICGD Cc1[nH]nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1F 1782208945 CMLHIPFKBBNJOZ-JLTOFOAXSA-N 438.504 0.358 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783529160 FHURFFGWIJJPHU-NHYWBVRUSA-N 430.259 0.405 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1783934918 LFYVHXMTZDSCLH-OAQYLSRUSA-N 434.493 0.217 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783965965 XSNLAKUHHXIBRK-WOOFSFRISA-N 432.359 0.864 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)C(=O)c1ccccc1 1784083643 DTBXKVSOWRHRCE-FJIDUMEYSA-N 437.924 0.338 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccoc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986599 OQWNUCWGMSHDEU-IHPCNDPISA-N 426.278 0.186 50 20 ICGD CCc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1787233281 DEMORTVMSSNRGT-LNLFQRSKSA-N 431.537 0.610 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788616230 IEKUVCPBAJEVQF-CYDGBPFRSA-N 435.388 0.234 50 20 ICGD N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789507869 QZTZZAXBNGGLJX-JBACZVJFSA-N 433.273 0.145 50 20 ICGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791694538 DSYUWAMMBOXPAZ-UHXUCMFUSA-N 430.274 0.878 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1792871188 QOVHYKYUDVDFIE-OEYIWLLWSA-N 436.310 0.964 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1793249608 MCVPKVYORNKXNQ-AKIOZOGOSA-N 443.928 0.803 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1794142459 BMNGHVBFIZTJQO-CRWXNKLISA-N 441.920 0.443 50 20 ICGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(C)s1 1794181075 GUHIDZVXGVAHII-YVWYUNDQSA-N 437.566 0.265 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794561326 QCEPCLKUHMYLEW-NWJSVONSSA-N 427.299 0.989 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172066 XBZQKYNCUWMUEU-YGTYGHESSA-N 434.924 0.947 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccccc2n1)c1ccc(B(O)O)cc1 1797285340 XAMRDTPIMCVHSK-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1C1CC1)C2 1797749712 LAMYHLQNULLEMB-FVCICTRLSA-N 440.460 0.068 50 20 ICGD Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754024 JJECHCNEGWRYJZ-HBCWATKFSA-N 441.463 0.650 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(C2CC2)cc1 1799778551 DFWJSTQKWIINHL-VTYHHJSWSA-N 434.301 0.761 50 20 ICGD COC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1801707219 YZAPFJQXWPSRKM-NGYDUSEUSA-N 429.477 0.712 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCCN2C)[C@@H]1c1cccnc1 1803167842 QIHXKATXCGCKFL-JQVVWYNYSA-N 444.580 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccnc1 1805463106 QHTPBMHDGOJVSH-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)nn1C 1805590039 NCCAMHMGTLDAOD-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806582912 WIERVGPMYRIKJE-CYBMUJFWSA-N 443.342 0.800 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374476 ZSBBXLYSMYYMSC-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cccnn2)[C@H]1c1cccnc1 1810723662 MTBNFONLOAXUDX-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COc2cccnc2)[nH]n1)c1cccc(B(O)O)c1 1817474065 KWOKOLMJBTZBKF-IBGZPJMESA-N 449.276 0.869 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822368942 MDPCPRKAHHRYPS-ZBFHGGJFSA-N 434.689 0.649 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCOC1 1823466077 POCNFOONUVPPFW-CRAIPNDOSA-N 426.282 0.822 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2 1826319949 XSGKETPGEFHNMB-FUXBKTLASA-N 445.270 0.671 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1830143468 WDXRBFIGQUBYLG-KXBFYZLASA-N 430.860 0.504 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830543481 SRKJIBIFIZWKIS-ACJLOTCBSA-N 439.310 0.987 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730884 GMGYFSWSHNZKCF-PXNSSMCTSA-N 439.871 0.977 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831471743 VTOGISFEOYNJOB-QGZVFWFLSA-N 434.331 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831609306 NLPPRAZHGGLKKC-DCGLDWPTSA-N 434.331 0.128 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668095 QDLZFUKLARTPPU-SJKOYZFVSA-N 429.267 0.702 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833271093 WQPPYKHVRAKZLI-RDTXWAMCSA-N 442.310 0.421 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833763462 HHZKPQBUOZESDF-SFHVURJKSA-N 442.310 0.945 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834823406 SJYZGSHWHOVJPJ-OAHLLOKOSA-N 446.258 0.173 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836084790 SFKTZUNANHKHBR-CXAGYDPISA-N 432.930 0.099 50 20 ICGD Cc1ncoc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837526791 UVINFAZPQQNYLO-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(F)c[nH]3)CC2)CC1 1837921751 XUAMFKNIFGTFAY-UHFFFAOYSA-N 443.284 0.760 50 20 ICGD O=C(CC1(O)CCC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922171 SQKZCXPTGYOJII-UHFFFAOYSA-N 444.337 0.284 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839070174 ZNFZQZJPZKPDMH-NQIIRXRSSA-N 435.908 0.767 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839656387 NPCYITHQTBWJDG-MDYRTPRTSA-N 425.913 0.316 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@@H](C)CC)C2)C1 1839963739 UPMQEASJAXRXNN-OIPACUDHSA-N 434.375 0.990 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840037133 UTLDKOVGHVCJCW-ABAIWWIYSA-N 448.343 0.137 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1840151700 LKXUCYRKPIIRIF-YWZLYKJASA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1840152141 YIAPLNOKOOUXPT-XLIONFOSSA-N 431.961 0.573 50 20 ICGD Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cnn2c1 1840188304 BHLCWSNOWBVLPN-SFHVURJKSA-N 442.303 0.911 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840677442 KZMPWMYQYZILPK-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)[C@@H](C)CBr)C2)no1 1841287775 FNEQSYZCRMFUOG-NSHDSACASA-N 427.299 0.947 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038280 LWDGSEKUZLSZIX-IBGZPJMESA-N 431.537 0.553 50 20 ICGD CCC1(C(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)COC1 1845039285 AMUKCEOCEBLTRK-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc(OC)c1OCC(N)=O 28717573 BABKYUUYUUSVNR-UHFFFAOYSA-N 441.238 0.733 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 68970152 OVUIKRYSLXQEDL-MEDUHNTESA-N 439.877 0.994 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1OCC(=O)O 726155398 IQDFJTWFSVJOCP-HNNXBMFYSA-N 436.442 0.916 50 20 ICGD O=C(CCC(=O)Nc1nnc(C2CC2)o1)NNC(=O)c1csc(N2CCOCC2)n1 727764855 QQFCQOVKYTXJIL-UHFFFAOYSA-N 435.466 0.420 50 20 ICGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 728018122 GMFGARNINOHEMN-WASHYIJTSA-N 429.502 0.952 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728845399 JSNPOYJPJIQZFB-BMFZPTHFSA-N 428.493 0.404 50 20 ICGD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274435 JYQZBOKOYOAQQG-YUMQZZPRSA-N 425.294 0.197 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(CO)c3)nc2)CC1 729622049 WXMUNSRQACEPRN-UHFFFAOYSA-N 434.522 0.336 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc2ncccc12 730127177 KDKJHZQXMFFWPZ-UHFFFAOYSA-N 448.487 0.708 50 20 ICGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 731892107 UQSWANFUBXQAPQ-ZFWWWQNUSA-N 438.554 0.961 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732248018 XBMHYVUIDWMQNJ-QGZVFWFLSA-N 426.539 0.828 50 20 ICGD O=C(NNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 732954014 HSYYAUACUOLVGA-HNDQUVLASA-N 432.458 0.568 50 20 ICGD Cn1c(NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc2ccccc2c1=O 733263455 CDBHMLHIYFHOHI-UHFFFAOYSA-N 426.458 0.505 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 734238865 AMUSMYKJLLLJEO-UHFFFAOYSA-N 434.453 0.207 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 740851776 VOBHSELXWQJHEU-LLVKDONJSA-N 425.467 0.713 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2=O)n1 745882172 DXPOAQBUZZIBEF-AWEZNQCLSA-N 438.448 0.451 50 20 ICGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 746822809 VCCDBOAFKUCGHD-UHFFFAOYSA-N 443.547 0.447 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(CC)CC1)c(=O)n2Cc1ccccc1 749339766 DWXZMFLPQIAUIW-UHFFFAOYSA-N 438.488 0.766 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=S)NC[C@H]1CCOC1 749735405 WPOOPPBTXCKONC-MRXNPFEDSA-N 425.986 0.989 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)OCO2 753839946 FIGWQALLCXQCLJ-SNVBAGLBSA-N 447.375 0.894 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3ccc(C(F)(F)F)nn3)cnc21 755187754 OVHVWAVDIWVITC-UHFFFAOYSA-N 447.175 0.845 50 20 ICGD CC(C)c1cnc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 756163183 GFLLJPZHJGPHPI-UHFFFAOYSA-N 439.519 0.917 50 20 ICGD CN(NC(=O)c1ccccc1-n1cnnn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782747 XXZWSCBRGYBZTP-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760361217 SGEOTPUAJAIVEI-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(N)c1 761248811 BYPUZOBRSVJOFV-UHFFFAOYSA-N 440.503 0.374 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763540594 XBYPZYXCZVUYPL-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 763551103 LIUNHRCPLRJHTC-INIZCTEOSA-N 440.412 0.933 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763675712 ZQOIFWIODCIHCN-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)n1 763880492 GLBJQJOOFIJNPM-UHFFFAOYSA-N 426.477 0.912 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 763973907 HAVRABLHDVABKI-UHFFFAOYSA-N 430.801 0.232 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764151967 MGKNVVGAQPHDJD-QGZVFWFLSA-N 426.429 0.243 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccn(Cc2ccccc2)c1=O 764165341 XDCFBBVVLIAXAY-LJQANCHMSA-N 432.436 0.986 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764203820 YEMGTDPVXFTVHL-UHFFFAOYSA-N 426.495 0.230 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764264809 UNZAYFMETZZOJS-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)CCO1 764274727 BUOUIOGPPYCMFX-CQSZACIVSA-N 428.445 0.782 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c(C)c2)CC1 764400667 QURWCTJOFWWZIL-MRXNPFEDSA-N 435.525 0.274 50 20 ICGD CN(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1 765320717 SIOVPNUCYXJUSH-UHFFFAOYSA-N 428.511 0.759 50 20 ICGD COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cs1 767848707 DFTVWCFQWCQXGS-UHFFFAOYSA-N 447.354 0.523 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)C(C)(C)O 768245407 AMMDNMTXLVOZLM-HNNXBMFYSA-N 429.495 0.069 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNc2c(OC)cccc2S(C)(=O)=O)cn1 769243879 VRWWNIPEXNVVBQ-UHFFFAOYSA-N 440.482 0.206 50 20 ICGD COC(=O)c1cc(F)c(C)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 769860400 VFSWXUMOSNMRMZ-UHFFFAOYSA-N 434.409 0.520 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNc2ccc(Cl)nn2)C1=O 770060015 BXTXFNXSROKIHF-UHFFFAOYSA-N 432.828 0.772 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2ncccn2)cc1S(=O)(=O)N(CC)CC 773720547 BXZKHQLTBKEQQF-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)ccc21 778714001 OSSXZLSEZXFDMX-UHFFFAOYSA-N 428.420 0.690 50 20 ICGD CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 779714810 ZOBDGUMXOHDQSF-HOTGVXAUSA-N 425.507 0.674 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1 782145426 IVBNGQXOJGILEO-UHFFFAOYSA-N 449.489 0.501 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 784002948 XRNPPYGDVCJVKU-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004791 KGZMPLRELOGILG-UHFFFAOYSA-N 447.473 0.857 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 785331630 XKRDVVJPESANBK-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(=O)c3ccccc3)CC2)cc1 792237464 JDMXHKKTEWFLDL-UHFFFAOYSA-N 444.513 0.332 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 792379489 IWMCECCIWJLWFO-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC(F)(F)F 799835026 DCHYGBKKSXWCAR-UHFFFAOYSA-N 439.306 0.566 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCc3ccc(Br)cc32)n(C)c1=O 800814762 XKTGPVIXHMWVIF-UHFFFAOYSA-N 445.277 0.663 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)ccc1F 806977587 PYZKNJSAGVVHIL-UHFFFAOYSA-N 438.437 0.289 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccc(O)cc3)c3ccccc32)N1 806991148 NOPYLRPRTSEMMN-LSDHHAIUSA-N 438.440 0.189 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(N)(=O)=O 808187951 NJRAOSSFJWZUMQ-UHFFFAOYSA-N 431.474 0.979 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)c(O)c2)c1 914865040 JZVKALWHFCOJFE-UHFFFAOYSA-N 442.428 0.701 50 20 ICGD O=C(COC(=O)c1cc(F)cc2nccnc12)NNC(=O)[C@H]1COc2ccccc2O1 917983174 HLNLOQANDWJESO-MRXNPFEDSA-N 426.360 0.913 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 919835677 OWBKPNVZNWGUAK-UHFFFAOYSA-N 433.486 0.956 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832530 FWWTXCHNRZLGCH-SJCJKPOMSA-N 437.298 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777979000 BDEYJMHQUMGFEJ-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1O 1781516691 INWIOLHSGRXACF-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258326 SLDDUDONINURRB-XEZPLFJOSA-N 437.928 0.485 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771536 KWGSWZSQOAJKJO-VOAKCMCISA-N 425.345 0.184 50 20 ICGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1792242249 VUXYMLWRHUGXRR-GUBZILKMSA-N 440.374 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1O 1792390590 HUELMSSZPWURRN-DPIQGUFMSA-N 439.900 0.017 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C(F)(F)F)C2)[C@H](O)CCl 1792976217 PSLZJEXUHWMVRQ-UTINFBMNSA-N 427.832 0.965 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1Br)C2)[C@@H](O)CCl 1792980016 BQBATIMYTDUYPP-LFSVMHDDSA-N 432.702 0.647 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184781 DDKQDGPHQIUJJJ-UCSBCBTLSA-N 427.292 0.906 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cc[nH]c2cc1F 1798570159 AVRGIQRTWSDZAI-USGNIVHTSA-N 445.495 0.883 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1799275002 GJTFDAPVKJRIBK-UZTWBRENSA-N 427.292 0.564 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1800644231 OALHEATUNYNPQM-NOHGZBONSA-N 432.344 0.660 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366955 WIOHHDFGVDOLRJ-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1F 1808885112 XUSKVDRYMOGLOS-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1810095531 RIPXYXRSWNHGCL-QSJFSLAZSA-N 442.900 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1c1cccnc1 1813069522 YVJMBKXJLTYNJF-WFXMLNOXSA-N 430.553 0.555 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(C)(C)C)[C@H]1c1cccnc1 1813071398 PHNJMPNFJMIPMS-UWJYYQICSA-N 432.569 0.849 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCOC1)CC2)c1cccc(B(O)O)c1 1815361623 LRRJVTNUYUHQCN-DZGCQCFKSA-N 429.307 0.475 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)no1 1817470406 ANGJKWRCFAESJZ-INIZCTEOSA-N 438.253 0.330 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817473907 GOQLYCCGOJEADD-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnn3c2CCC3)[nH]n1)c1cccc(B(O)O)c1 1817476680 AQZCANRNHLHXSV-LJQANCHMSA-N 448.292 0.852 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477408 YHGXSBMBPICAHX-RDTXWAMCSA-N 427.314 0.736 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccncc3O)sc2C1)c1cccc(B(O)O)c1 1820328931 AKAXBFJVYBMFPB-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD O=C(O)c1cnncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1820493539 OGOAVTKJHTVIOS-RDDDGLTNSA-N 425.854 0.457 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cccn1 1826854910 JKMAVDKKURUKLR-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1828783231 JTHARLJLJIJEPQ-PKHCJMHPSA-N 448.394 0.758 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1C 1830945196 FESNGTVVYFXLLC-HXUWFJFHSA-N 426.945 0.992 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425071 BNLFZZMRVXWHFR-OXQOHEQNSA-N 445.944 0.099 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3C3CC3)CC2)CC1 1833255624 OHZBEPLLDHNSRX-PMACEKPBSA-N 433.597 0.977 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1F 1833706133 RGAZWXWIVMVWNK-IBGZPJMESA-N 442.564 0.789 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836045859 UCKJYWSJXAJARM-MLGOLLRUSA-N 432.340 0.925 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)n(C)n1 1838046318 DPHXZYFCTXKOIO-BEFAXECRSA-N 428.917 0.306 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839151470 SIXXMDJWPWGRED-ROUUACIJSA-N 433.288 0.946 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cccc1=O 1839198325 YAKYEXZCYBKLFS-RHSMWYFYSA-N 446.273 0.146 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839966741 OKJICODHBZEGLA-PBHICJAKSA-N 429.315 0.582 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840032022 LJLCTQHOWJWVQE-DYVFJYSZSA-N 429.315 0.202 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)ccn1 1840187691 QNKQRWXSRHWQET-GOSISDBHSA-N 445.303 0.914 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188586 RHCPEECEKSNDBI-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cncn1 1840417496 UUDFNOKTUMBVBD-CJNGLKHVSA-N 430.303 0.081 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1840817286 QGKIELQDKYRFOO-HNAYVOBHSA-N 449.907 0.846 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841357528 NJPOFUBMQMATRO-OAHLLOKOSA-N 445.325 0.344 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1843415604 PXOHQRVBOWENAW-AFUMVMLFSA-N 439.476 0.338 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CSc1ncccn1)C2 1844263871 DNRHAFMCQKMBKF-UHFFFAOYSA-N 427.490 0.084 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)C1 1844453571 GHCQDPMXCYZNSD-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CC23CCCN2CCC3)C1 1845117087 JCFGCTCOQDVFLM-UHFFFAOYSA-N 426.521 0.521 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)c1 1846918151 GOTLORVCYDJRFT-UHFFFAOYSA-N 436.273 0.592 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCc2c[nH]c3ncccc23)C1 1847029418 ZWYWDWRIOLRZMH-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NNC(=O)C(=O)NC1CC1 9890015 ZRAZSDSIWOBCNX-UHFFFAOYSA-N 434.449 0.595 50 20 ICGD CCn1c(=O)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 10746325 JNBANPHADGEWGH-UHFFFAOYSA-N 445.501 0.534 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc2)cc1 15797778 YPJORPNXRJBSCR-SFHVURJKSA-N 444.513 0.855 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 18138390 DBVHMNVOVPCCLH-UHFFFAOYSA-N 428.536 0.533 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O 104757844 LMHHRHWMMAYKEJ-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)CN(C)C)CC1 727761602 SFLQKWUUZVZVEF-UHFFFAOYSA-N 427.483 0.013 50 20 ICGD CCOc1ccc(C(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OCC 728178693 BSSSNTCGYIZRRK-HNNXBMFYSA-N 427.523 0.706 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 732746836 IDNMIVUCRNHIKJ-UHFFFAOYSA-N 444.922 0.525 50 20 ICGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2)CC1 734282723 BSMWUQRKQGKXRC-OAHLLOKOSA-N 427.509 0.690 50 20 ICGD Cn1cc(C(=O)NCC2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)cn1 738312912 ZDKYNJRNXLAZKJ-UHFFFAOYSA-N 432.912 0.977 50 20 ICGD O=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1cccc(S(=O)(=O)N2CCCC2)c1 739470513 CJYWKULTNGAZNM-UHFFFAOYSA-N 444.517 0.936 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNc1ncnc2[nH]cnc12 740746732 IUOHHHSUPSJHBP-UHFFFAOYSA-N 440.283 0.927 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742478009 LPVBIQINPIIMQA-JDJRSUBASA-N 431.445 0.162 50 20 ICGD NC(=O)c1ccc(OCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 744621076 NPGAFJGYDFKZGK-UHFFFAOYSA-N 434.474 0.329 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCOCC3)cc2)c1 746387852 TZRXMYTUGYAYSR-UHFFFAOYSA-N 432.502 0.848 50 20 ICGD CCOC(=O)c1sc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nc1C 750268476 SRAATASNPOESCQ-UHFFFAOYSA-N 430.450 0.748 50 20 ICGD C[C@]1(c2cccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c2)NC(=O)NC1=O 756219715 IVYPNFUEXBVANK-OAQYLSRUSA-N 435.396 0.231 50 20 ICGD O=C(COC(=O)c1ccc(C(=O)NC2CC2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 757845427 XPMHGGBUZWFWIO-SFHVURJKSA-N 439.424 0.723 50 20 ICGD CCc1nnc(O)c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1CC 758159322 UBFPFCMLUHQLJP-UHFFFAOYSA-N 427.870 0.683 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 762949515 CPLGXLFPWDVSQV-XRVCTDEGSA-N 437.456 0.697 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 763680713 HIMZGSNNNTWDEW-UHFFFAOYSA-N 428.445 0.952 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)n1 763694762 KSAOLLCLBYBATR-UHFFFAOYSA-N 440.254 0.457 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)ccc2F)cc1 763739095 ZJPVCQKPEQMMBQ-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 764013217 YEEHWFFAPSWJJS-UHFFFAOYSA-N 426.838 0.547 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C1CCCC1 764066533 OSMZDGWTYJEVHI-UHFFFAOYSA-N 438.506 0.292 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C(C)C)on3)CC2)cc1 765176184 MBBOMHPJYDMKER-UHFFFAOYSA-N 449.533 0.874 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 765242868 NZLFCYSQFYZNTE-JTQLQIEISA-N 427.439 0.633 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNc2nccnc2OC)c1 766262259 SFBZEOQKHPCKNA-LBPRGKRZSA-N 436.494 0.785 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 768634359 JDCAAMWJNUOCEY-BOVGIHKQSA-N 437.474 0.093 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc2c1=O 769158224 ZRTAPWYPAYFIDF-QZTJIDSGSA-N 442.520 0.738 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCCc2ccc(F)cc21 782897716 SMGXMPKUHLQXIV-UHFFFAOYSA-N 433.465 0.859 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)nc1 783265779 XNSXWUHCOAULMS-UHFFFAOYSA-N 449.415 0.602 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CCS(=O)(=O)C1 783426803 OGJQTBSTMKNQAV-AUUYWEPGSA-N 425.507 0.771 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)n1 785233621 MBSQEIQLHLFSFU-UHFFFAOYSA-N 435.510 0.454 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 792017612 KEXNGQVMRZRGHA-UHFFFAOYSA-N 440.481 0.783 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1COCCN1CC(F)F 806281096 MZWUPCXSRSNFGP-QGZVFWFLSA-N 425.480 0.312 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 812464959 LBPMATVZINHQMZ-UHFFFAOYSA-N 430.486 0.200 50 20 ICGD CC[C@H](CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OC 812591839 VVDQGLSUWBNXEV-MRXNPFEDSA-N 442.538 0.396 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812733639 ZSLAIVLUHSUNFM-UHFFFAOYSA-N 436.515 0.605 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 814635636 HZJGVNIYUMIAPK-DZGCQCFKSA-N 448.505 0.646 50 20 ICGD O=C(NNc1cccc(Cl)n1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 815726874 YGNBIMHOKMTCJF-OAHLLOKOSA-N 445.863 0.831 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC[C@H](B(O)O)C2)cc1 864234603 XKEICDWBWMEUMH-XJKSGUPXSA-N 430.357 0.561 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 914638634 TTXILMDDBAKQKO-UHFFFAOYSA-N 439.384 0.618 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(Br)cc2)c1 915059992 NYDUWXCCKIZXGZ-UHFFFAOYSA-N 445.295 0.868 50 20 ICGD Cn1cc(C(=O)C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cn1 1115926344 PIYUSLOUFAQWLL-UHFFFAOYSA-N 433.471 0.926 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)n3cccc3)CC2)cc1 1116416087 GCKXILHLAGZXBD-QGZVFWFLSA-N 433.534 0.511 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 1341633140 ITVUQWGXLDSRRH-KSSFIOAISA-N 426.495 0.219 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1C 1779928129 WWIIZKPXVHSSQN-QFIPXVFZSA-N 425.294 0.079 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1781399850 FVNNKRBUXROXFK-JTKSSWDBSA-N 446.508 0.751 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782674074 ZPCKFNDYTPJKPH-AVYPCKFXSA-N 438.912 0.284 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1782866608 FHBPSMQPKBHZIK-TYIWWEIHSA-N 444.438 0.838 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979552 XGMWKRJHLGKGCA-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442232 KNFBPUURNOGWRK-GMOBBJLQSA-N 429.271 0.265 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)N(C)C(=O)OC(C)(C)C 1789757024 QPQVNPMDEZUOIF-YXMSTPNBSA-N 447.960 0.821 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2)c1ccc(B(O)O)cc1 1795735310 YHCNNSISTHPJJJ-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2)c1cccc(B(O)O)c1 1795741257 PESKVLOKXDWJLU-VPTLXERWSA-N 444.243 0.091 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(F)(F)F)C2 1797748693 UTEQYDDEMRACSZ-DRXBFXEBSA-N 443.426 0.621 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1800638985 FRIRVJRDESSLCV-STGWMILLSA-N 425.327 0.845 50 20 ICGD CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCCCC1 1800932302 TZIMRTOYXQAQIB-JLVBRIDZSA-N 429.521 0.859 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374480 ZSBBXLYSMYYMSC-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)c1 1810298049 GBIUHVSJTUWXOU-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1813064115 SGYDNRJGGAFRBC-FCZZECIWSA-N 427.885 0.303 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)c(=O)nc1O 1814875843 LUBFPNDZCVVZDM-QWHCGFSZSA-N 438.872 0.272 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2)C(=O)O 1815076298 IXUNLAZOTKABPF-WCBMZHEXSA-N 433.328 0.903 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343803 PXKHABMKCFMQBC-WFASDCNBSA-N 444.322 0.850 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815774271 ZSUVRKZDZNPSNC-DLOVCJGASA-N 426.861 0.254 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)nc1 1820251966 FAKCIGVYNZWUGX-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2C)n[nH]1 1820956450 FSBLQBJVHROBGS-CABCVRRESA-N 433.513 0.396 50 20 ICGD O=C(CCc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822821313 BQOUPXJSWXPYGX-LJQANCHMSA-N 448.292 0.818 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(F)(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826390237 DJLVHQWTKSALFZ-SNVBAGLBSA-N 429.641 0.880 50 20 ICGD C/C(=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827054716 KCRKPCJNJDJALM-AVCMKVNGSA-N 428.294 0.631 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1 1827606991 BPUNZDYJVAFPFR-TZMCWYRMSA-N 425.852 0.580 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 1828926092 YITJHFJSXNSKQQ-VQIMIIECSA-N 429.521 0.955 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830629745 FVRIAQVLMNTWPS-WQGACYEGSA-N 425.295 0.540 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831827727 JGRPQLAQTFFHLZ-CABCVRRESA-N 428.917 0.412 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)CC1)[C@H](O)CCl 1833312780 DLJILCSOLUMGPK-AUUYWEPGSA-N 437.972 0.686 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198163 WAJHPHXANYFHQF-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1 1840185477 MWSXTVFEOYBLSK-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1)NC(=O)NCc1ccccc1 1841303014 VKUWIMGHSASLJD-UHFFFAOYSA-N 429.521 0.307 50 20 ICGD COc1cc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)ccn1 1848111414 HUHVYUWFJKSFNO-ROUUACIJSA-N 438.488 0.537 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@@H](NC(N)=O)c1ccccc1 10291962 IUKLACYMOXRUGS-CQSZACIVSA-N 432.506 0.849 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1n[nH]c(=O)c2ccccc12 15314608 RQHIULNGXWQIMB-UHFFFAOYSA-N 434.500 0.825 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(O)c1 726382160 NHFZTFZVCGHWAD-UHFFFAOYSA-N 447.517 0.883 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)CCCc1ccccc1 727741554 XYUPUXKSSQGZHP-UHFFFAOYSA-N 432.458 0.412 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1F 728176812 RSZXINOHCBFKOP-CQSZACIVSA-N 435.543 0.962 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 728203823 OQESQLSCVMDHTH-HNNXBMFYSA-N 437.526 0.088 50 20 ICGD Cc1ccc2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(=O)n2c1 728322607 DQOQDYKAAIXIQZ-MRXNPFEDSA-N 438.396 0.147 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCN(c2ncccn2)CC1 728959713 OZUASDIATOGPCU-UHFFFAOYSA-N 427.465 0.485 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCOC[C@@H]2C)c2ccccc2c1=O 729614881 TYEWPMICEQTILZ-HNNXBMFYSA-N 430.509 0.861 50 20 ICGD O=C(NNC(=O)c1cnn(-c2cccc(Br)c2)c1)N[C@@H]1CCS(=O)(=O)C1 730213597 ULAHZNYXSXWPMU-GFCCVEGCSA-N 442.295 0.766 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2csc([N+](=O)[O-])c2)CC1 735116881 JPLGHJXWDLXRMU-UHFFFAOYSA-N 426.480 0.744 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 743306817 NTVSALDITZSNGV-HNNXBMFYSA-N 429.454 0.370 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744384747 OWHVAIGLSPYIHX-QZTJIDSGSA-N 440.548 0.441 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744471061 NKJCEVHZUAJGHV-UHFFFAOYSA-N 444.469 0.783 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cnc2nc(O)nc(O)c2c1 744618744 ACJAODPKRFIKQU-UHFFFAOYSA-N 446.445 0.214 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3cccc(Cl)c3)CC2=O)c1 746095148 JDVZFRMOMKEROH-GFCCVEGCSA-N 436.877 0.802 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 746347237 SNPMDDVBDUMOOV-UHFFFAOYSA-N 439.519 0.151 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 747351250 YVNLWEAVUZGJJH-UHFFFAOYSA-N 434.342 0.744 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 748614532 UGZHUIQZDOFGRN-QMMMGPOBSA-N 435.359 0.621 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 750662482 FEFHAJGWWVKPNU-UHFFFAOYSA-N 439.494 0.265 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 753464135 MCDIRCSWNARWLU-UHFFFAOYSA-N 430.849 0.629 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1F 755953772 LIAQEZOYSDLJCT-ZETCQYMHSA-N 428.847 0.010 50 20 ICGD CCCOc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757681014 WPAUCQZZPHPFBW-UHFFFAOYSA-N 447.427 0.215 50 20 ICGD COC(=O)c1cccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 758075901 NGVNDXGMMJEGMJ-UHFFFAOYSA-N 425.850 0.778 50 20 ICGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758831964 HASPHXSYESJHHF-UHFFFAOYSA-N 449.489 0.277 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cc1 760905411 IKXCSLLAJGCHEA-UHFFFAOYSA-N 427.458 0.656 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 763510881 UKMSQAZICQDLGQ-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1O 763528510 OLJXVCSQPKZXHZ-UHFFFAOYSA-N 448.457 0.241 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 763680185 DBHXDCYKYZYKPL-UHFFFAOYSA-N 425.376 0.747 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763921073 HOFUEJOXRZTCPX-UHFFFAOYSA-N 425.405 0.087 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1 763968258 LQWLLENMOMQANV-UHFFFAOYSA-N 432.506 0.701 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccn2C)cccc1C(=O)N1CCSCC1 763995706 KWQUEOQTUCDIHM-UHFFFAOYSA-N 429.502 0.922 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 764004847 OYNQWMNLLQOIBP-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)c(OC)c(OC)c1 764105192 LZCSIASASRLHTD-UHFFFAOYSA-N 431.401 0.904 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C#N)cc1)CC2 764177221 MCTOROFGKVQMNK-UHFFFAOYSA-N 441.469 0.207 50 20 ICGD CCn1c2ccccc2c2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 764232184 SEHHXGSOZCHCLH-GFCCVEGCSA-N 445.501 0.838 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764281152 ZZIMUCDWMBSWPG-UHFFFAOYSA-N 430.417 0.024 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1C(=O)OC 764318192 CQGFPRPNKUXJSA-UHFFFAOYSA-N 431.376 0.728 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764319333 PFDLHTXUYRDMTQ-UHFFFAOYSA-N 430.392 0.057 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 764393901 TYCZBTWIFIEGFK-UHFFFAOYSA-N 443.485 0.764 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 764425679 QNNKLBKQTLRIIT-CYBMUJFWSA-N 427.339 0.392 50 20 ICGD COC(=O)c1nccc2c(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cccc12 766321656 ORPBGTVXPAQYGM-UHFFFAOYSA-N 448.482 0.822 50 20 ICGD CSCCCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636546 PYIHCGSAUWJOTE-UHFFFAOYSA-N 442.607 0.982 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 767034932 ZTACNSGYBCCIAC-NWDGAFQWSA-N 445.401 0.457 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cs1 767052153 FVICTPIQTUBUIR-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 768074181 ZAVQJBWOCKXKBV-INIZCTEOSA-N 435.956 0.864 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 771916240 LUVSOTSKZIUSPC-JSGCOSHPSA-N 436.490 0.479 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772024743 UVIFSLDNCVTUMQ-ZDUSSCGKSA-N 432.481 0.503 50 20 ICGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)c1 772539416 VYEYNHAIWCTVKD-INIZCTEOSA-N 432.360 0.757 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 772884341 JGCUEOXLQBCXTE-DFBGVHRSSA-N 434.880 0.667 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1CC 777595519 GEEMQKIWIRZNPS-UHFFFAOYSA-N 441.531 0.936 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 778437208 YVNZHQGFFTXRMC-UHFFFAOYSA-N 443.478 0.294 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1ccc2c(c1)OCO2 780365032 JGGSEULMKRQCBC-UHFFFAOYSA-N 439.471 0.479 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 781529737 OQGOODSXJHUSHD-UHFFFAOYSA-N 439.877 0.900 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2C1=O 782888286 WHKXRUATOUGBHN-UHFFFAOYSA-N 434.412 0.128 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 784916216 VSKCBRMQSMCQLU-UHFFFAOYSA-N 443.526 0.747 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 787556927 KXUWJZPYALMVCP-UHFFFAOYSA-N 449.471 0.740 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 788168783 COGWCHSJQMISLD-UHFFFAOYSA-N 430.278 0.696 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1 792018414 ZBCBZWKDHPMHIE-ZDUSSCGKSA-N 436.456 0.647 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 792352154 COMHKSRRSADSIO-KRWDZBQOSA-N 436.424 0.820 50 20 ICGD CN1CCN(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1(C)C 799687250 PUIXXDBKOBEKOT-UHFFFAOYSA-N 445.612 0.555 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066821 AMANPKZKERGEAE-HXUWFJFHSA-N 446.485 0.650 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C[C@@H]3CCC(=O)N3)c2)cc1 816827678 BAUBBFGUEVEXRO-HNNXBMFYSA-N 446.485 0.926 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 914536894 LTTSHWZPODMNSF-UHFFFAOYSA-N 436.494 0.336 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 914870608 WRAKWHPLBOPDBF-LBPRGKRZSA-N 426.420 0.812 50 20 ICGD CC(=NNC(=O)COc1ccccc1C#N)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916323919 MHISNEYMMCEBIM-UHFFFAOYSA-N 430.442 0.840 50 20 ICGD O=C(NCc1cccc(F)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916352754 XBGUCUGXFHEWLY-UHFFFAOYSA-N 436.465 0.991 50 20 ICGD Cc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 1317690904 ZYWBEOJLKISFEU-CQSZACIVSA-N 433.442 0.317 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cn1 1318568841 JCJFIOJURIURDG-AWEZNQCLSA-N 441.897 0.068 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCOC1)C2 1779374654 APBXQCAJUWCWJM-QXATTWAWSA-N 445.520 0.239 50 20 ICGD C/C=C/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374698 YJKIUOYKIXLRFV-CURBXFPRSA-N 427.505 0.945 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccoc4c3)C2)C1 1782323809 CWYBZGLTIKAYPX-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783612983 CCCPGOHIMVRUNM-UMCXVIDHSA-N 449.907 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783877135 GINLDCYVOTXNNM-ZABPZDLMSA-N 439.896 0.536 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878864 KHVMYJDARCZGRI-AERDPVEMSA-N 447.919 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1783937137 PUWBWPIWPIXVJI-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1784812566 IJZVENCYOZOVGB-TUGUMKMLSA-N 445.520 0.767 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nc[nH]c2c1 1788329000 NGXULMZCAPNYKF-MDKPJZGXSA-N 448.288 0.150 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1792872425 GPQUXYYJCXHFBC-JFILPPLUSA-N 426.311 0.620 50 20 ICGD O=C1CSc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)ccc2N1 1792978103 CDKCJGLMIJOUMJ-DMVWFOPNSA-N 439.921 0.534 50 20 ICGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)n1 1793989549 XDSCLOLHBCTZJZ-OJXGSEEGSA-N 430.274 0.913 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794427682 TXNHNBIIJWNLTD-LMWOUKEDSA-N 429.926 0.706 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1scnc1C 1794800509 WDPJDINITXTNPX-QQGSHNGGSA-N 444.517 0.789 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2 1797753220 YZVIXXCTFBEMRC-ZSBFGKGUSA-N 443.891 0.856 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn1 1798440588 CVLRJBIDHXJIGL-BTTYYORXSA-N 439.476 0.439 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1800981484 NPLJKWISNWLMGF-PJHOBBQFSA-N 447.919 0.740 50 20 ICGD COc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012120 GAGDGTBALUFSGP-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)n1 1801016939 HDGZEHBQMIEGEE-DABQJJPHSA-N 431.320 0.680 50 20 ICGD CCc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806030843 QIDRVYFUEZXKGQ-DYESRHJHSA-N 448.288 0.945 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807363744 NUUFRMZBASBRJI-RXVVDRJESA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370558 GSYKILDBRRAZHF-LAUBAEHRSA-N 447.256 0.348 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)nn1 1809977490 APEXDBCTNFYHCL-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)[C@@H](O)CCl 1814869823 CPDMVVNJDUHNLT-NEPJUHHUSA-N 434.844 0.046 50 20 ICGD Cc1cnn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815340385 LYUFQQRNPSBVBW-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD O=C(CC[C@H]1CCOC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361862 SVLMOCWSMYQPED-BBRMVZONSA-N 443.334 0.865 50 20 ICGD Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cccc1=O 1817470952 NODIFBRYGXSPRN-KRWDZBQOSA-N 449.276 0.408 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472811 YYEOUAUEAQYNTG-SJORKVTESA-N 439.281 0.016 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817476779 CMQUATNLCDCFBL-INIZCTEOSA-N 440.265 0.349 50 20 ICGD Cc1nnsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818254008 XMLFEFWLDLQPNM-HNNXBMFYSA-N 440.294 0.869 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178810 LCGPXJJQHMWRFT-BMFZPTHFSA-N 437.990 0.534 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1830537139 CAQBSLJKKZKSJV-CXAGYDPISA-N 427.299 0.578 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1830537353 DOXQACYKBHZKJH-VQIMIIECSA-N 446.386 0.960 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1830537415 HJUROHYKSNLAJS-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831651196 RIXCFVOZONPKES-VHDGCEQUSA-N 431.375 0.982 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1833309932 FGAAKJAHVJYKBI-JEWRLFTDSA-N 426.989 0.498 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834602020 GERLABDPTCDMDY-KRWDZBQOSA-N 429.267 0.495 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CC(F)(F)C3)CC2)CC1)c1cccc(B(O)O)c1 1834800605 RHEWIYBPJOVYPM-UHFFFAOYSA-N 449.307 0.597 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccnc2c1OCO2 1836092295 LSGLYXSIFWENEV-INIZCTEOSA-N 438.912 0.595 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836887663 QULGPNCLBDVWBO-IIBYNOLFSA-N 446.353 0.386 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835975 WWBGWODKCDZILU-HNNXBMFYSA-N 439.877 0.727 50 20 ICGD CC[C@@H](NC)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837916956 RRBJZEJENJPTLD-GOSISDBHSA-N 425.574 0.356 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150736 WEFFMTOWMYBVKI-CVEARBPZSA-N 445.365 0.114 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839203849 YQYOQGUPHORMIU-HOCLYGCPSA-N 434.262 0.672 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839966571 JISTVOFFCFDWDB-HEHGZKQESA-N 441.750 0.870 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840177080 OPKIIUHUBFGESR-JVPBZIDWSA-N 434.917 0.466 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1840186624 BLYZUVZBJZTTTM-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013226 WIUREMKGAPUUHV-KRWDZBQOSA-N 443.309 0.193 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)NC(=O)CC3)C1 1843232752 PCWLAJLTBRDINF-UHFFFAOYSA-N 449.471 0.096 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265220 HBHAUAXRJTZKHS-CVEARBPZSA-N 441.488 0.258 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1846977223 NNOVKJQPVDBVDD-UHFFFAOYSA-N 443.309 0.052 50 20 ICGD O=C1Cc2ccccc2C(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559850 SYWWQQXKPSABEZ-ULQDDVLXSA-N 433.892 0.403 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 23393588 VPIMATNUHJZRNP-GFCCVEGCSA-N 443.503 0.510 50 20 ICGD Cc1sc2ncn(CCC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(=O)c2c1C 23690377 LLNOQVICZQPKBC-UHFFFAOYSA-N 438.473 0.902 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 726275970 BEMRBTJWPHWFQO-ZDUSSCGKSA-N 434.474 0.457 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc(Cl)nc3)cnc21 727101094 DDZOUGSRHFICMW-UHFFFAOYSA-N 440.645 0.402 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 728985271 HLSLKLDBPCAXQZ-UHFFFAOYSA-N 429.458 0.646 50 20 ICGD CN(CC(=O)NNC(=O)Cn1ccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 729450047 KDUFHALWXTVVLG-UHFFFAOYSA-N 425.470 0.870 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 729617771 GWKXFZQHJGFBRN-WOJBJXKFSA-N 430.553 0.392 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 731957862 BFUIIRCCBSXUDK-QAPCUYQASA-N 436.484 0.454 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2n[nH]c(C)c2C(=O)OC)cc1 732046495 XGJNSRSBFPIAHF-NSHDSACASA-N 426.451 0.680 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)c2ccccc2c1=O 732474395 DBVWJCGTYDPHCQ-HNNXBMFYSA-N 429.525 0.386 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 733359186 FSGCPGBEUBHUQW-UHFFFAOYSA-N 434.474 0.216 50 20 ICGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 735006536 AXBREKMNROXPIV-GFCCVEGCSA-N 439.515 0.744 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1c1ccc(C)o1 736549594 IQGAPOMWSQSHSA-MCIONIFRSA-N 442.494 0.768 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)c1 746309690 HAMDVZMSJOAMGV-UHFFFAOYSA-N 427.465 0.760 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nccn(C)c3=O)CC2)cc1 747937302 AFHYAVIBFXTTLT-UHFFFAOYSA-N 433.490 0.527 50 20 ICGD O=C(NNC(=O)c1cccc(F)c1I)N[C@H]1CCS(=O)(=O)C1 750256541 WVWIDLXJNLWGCV-ZETCQYMHSA-N 441.222 0.561 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1cccc(C)c1)OCO2 753842211 ZQZGFFLZBAYDHR-UHFFFAOYSA-N 429.385 0.675 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)N(C)C)c2)c2ccccc2c1=O 756796063 IZUYEBVEMQQFPD-UHFFFAOYSA-N 440.464 0.729 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1O 756823672 OCZRTVPKMFSXBH-UHFFFAOYSA-N 442.295 0.580 50 20 ICGD CC1CCN(c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])CC1 758031380 WFTRNTNBGZIVKM-LBPRGKRZSA-N 427.483 0.530 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 758048733 UZCYPJPDCAPJFM-GKUYHTSYSA-N 425.511 0.304 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)c1cnn[nH]1 759826246 WXKXVPJHYRBPDN-JOCHJYFZSA-N 445.439 0.745 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccn2)CC1 763461606 AFDSBUKFSZSYAE-UHFFFAOYSA-N 449.556 0.969 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763674991 SNTKBFXATFFBMP-UHFFFAOYSA-N 425.445 0.664 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 763804013 JEPKYMUNTDGIRE-UHFFFAOYSA-N 443.416 0.818 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764363867 VPBHLXBFZZRVFH-UHFFFAOYSA-N 428.445 0.456 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 764370993 VFJHHRSGTGQWEF-KRWDZBQOSA-N 442.428 0.002 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 764426411 UPUIVCPDLIHGAJ-HNNXBMFYSA-N 428.449 0.173 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435432 VDDIUDKLCFWUID-IYOUNJFTSA-N 446.504 0.614 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 765395596 JTNVISZJZCJIQI-UHFFFAOYSA-N 442.494 0.976 50 20 ICGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 771384694 VTICCXFFHKRFER-CQSZACIVSA-N 441.510 0.177 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 773727069 VDIQWGZNVPRZNF-AWEZNQCLSA-N 429.437 0.868 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(F)(F)F)cn3)c2)CCN1 775249250 ILXRYIKBKJDSCK-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 775281766 WZUSFTJNARLVFT-UHFFFAOYSA-N 430.531 0.929 50 20 ICGD O=C(NNc1cc(F)c(F)cc1F)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 784886955 XKIILBACBJCSEI-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD O=C(Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1)c1ccncc1 793451334 RFWZHOYDZHTZIJ-CQSZACIVSA-N 441.473 0.498 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)COc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 797622346 IASFVWSXXVUAGW-HXUWFJFHSA-N 449.485 0.373 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 802067904 QKRCBXLHONNLMT-LBPRGKRZSA-N 432.524 0.305 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1=O 802097060 DUKZXVHNKSAXJV-UHFFFAOYSA-N 425.401 0.765 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)c2C1 803837654 SDCREGQSIHVWPR-INIZCTEOSA-N 441.488 0.437 50 20 ICGD COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 806993490 ARALYNMIGGRUMX-UHFFFAOYSA-N 444.469 0.875 50 20 ICGD CC(C)[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nncn1C 807432960 WCLFEVXUHYAYKB-INIZCTEOSA-N 449.537 0.941 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 808011332 SQKJMUVLUQZMST-NSHDSACASA-N 444.485 0.881 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 810407952 PLKCBEYUFIFIKT-UHFFFAOYSA-N 448.427 0.956 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 815269564 URMFFZAGTREHRV-UHFFFAOYSA-N 436.428 0.685 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 816883817 LELXWBZHBOJQDS-CQSZACIVSA-N 445.439 0.706 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccccc1 848978557 GVYMSVGVTNMSFU-OAHLLOKOSA-N 439.424 0.815 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cccnc1)N(S(C)(=O)=O)CC2 913161407 KQGCLOKHDCRWPU-INIZCTEOSA-N 448.501 0.809 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)NC1CCCCC1 913451279 RFAVQQNBMKQLHN-UHFFFAOYSA-N 426.495 0.789 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNc3ccc(-n4cccn4)nn3)cc2)CC1 916391045 YEBOSLZNRALXCS-UHFFFAOYSA-N 435.492 0.876 50 20 ICGD CSc1ncc(Cl)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 928240590 VKCUOCACZSYVHT-GFCCVEGCSA-N 438.849 0.996 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1 1329992246 OXWTTYUICJPSHS-UHFFFAOYSA-N 436.494 0.134 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034754 UOHOBGONRLJVFW-NYHFZMIOSA-N 441.488 0.600 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1783571201 BOOLAQDZLKUGPI-SIFCLUCFSA-N 445.944 0.816 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(C)c1O 1783938070 RMWSOKUBJBKITQ-JOCHJYFZSA-N 432.521 0.826 50 20 ICGD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)=Cc2ccccc2N1 1784091388 REXRIWVPORWMPN-WQCNXYOZSA-N 447.919 0.992 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1784095064 CIUQXGUZGFTKIW-FXAWDEMLSA-N 426.897 0.641 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1cccs1 1784378955 XNYUQVJMYWPLFG-LHSJRXKWSA-N 443.529 0.994 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460514 VCRIOEJGRCYMSZ-CXAGYDPISA-N 427.299 0.859 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785469795 LDVJZGXYKFCLIR-XOBRGWDASA-N 433.534 0.272 50 20 ICGD N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984899 WOFDKQXKNLPCPO-JBACZVJFSA-N 433.273 0.145 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21)[C@@H](F)Cl 1787447724 FHPLOGRWTQQHAU-JYYRZZBQSA-N 428.873 0.884 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1791257283 WZCYINQSHGCWAI-TUUVXOQKSA-N 426.901 0.348 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792842242 HXIAFJMHSYTLKE-RUGDWHBFSA-N 445.325 0.531 50 20 ICGD CC[S@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891772 KLLOJRCOPYRQSL-LLAIVIGJSA-N 435.550 0.917 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797785822 HZUYSFITOHGNBX-QKPAOTATSA-N 432.901 0.336 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798738249 YRQBVTYOXJBOOP-VPTLXERWSA-N 448.568 0.603 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)NC(=O)NCc1ccccc1 1799869620 UQXYWRRWPIXNTD-BCDXTJNWSA-N 441.488 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1800978616 WPCNFJIXLJHGNR-FSDCSDTHSA-N 433.896 0.724 50 20 ICGD C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800988168 LIVIMWKJYHSDGV-VYCZESIESA-N 449.577 0.241 50 20 ICGD Cc1ccccc1NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012889 AREWMPCFPFTWKE-FAQVEIGNSA-N 431.537 0.370 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1802270044 LNQQKLYGIWGUOS-AICCOOGYSA-N 433.933 0.764 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnc1 1807360162 ORFXRAWESNMRHQ-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807666216 WDLIYCFJCYFVBT-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1812329648 UZHJMNVAYCAGDR-LZWOXQAQSA-N 427.958 0.171 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812778142 YHCPINKXCCPQEW-JSRQGNBESA-N 439.354 0.984 50 20 ICGD Cn1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1813456419 BRADMECEYGGEMV-DENIHFKCSA-N 447.304 0.057 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnn3c2CCC3)[nH]n1)c1ccc(B(O)O)cc1 1817472417 IWVCKFXNCHMKAD-LJQANCHMSA-N 448.292 0.852 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817639750 RSMVVIPNXPQVEB-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C\C(=O)NC2CC2)n[nH]1 1819273113 ITQZVMARDARFCF-HLRDLLSLSA-N 445.524 0.610 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004143 QCUNIXJYXXFPNV-BUYFANAVSA-N 436.307 0.338 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1825275938 CVUQFAFQYIXOCF-ZDUSSCGKSA-N 443.290 0.002 50 20 ICGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2 1825331545 PIWWOWGGWVJZFX-SECBINFHSA-N 425.338 0.145 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052776 FJIUMEXAACILBJ-HXUWFJFHSA-N 443.353 0.372 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1827054765 LPZHYGYYOQVXRE-UZLBHIALSA-N 439.325 0.452 50 20 ICGD O=C(CN1CCSCC1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1829716905 ORETZILBDLHZHP-INIZCTEOSA-N 426.366 0.295 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544250 RWSBKUMKWDWHRB-HSAJPSKWSA-N 446.342 0.514 50 20 ICGD O=C(c1cnnc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728032 NJFAFFQIPLUYDD-XLIONFOSSA-N 434.880 0.300 50 20 ICGD O=C(c1ccc2cnccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728575 VHIMZCZWUVJGOS-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833222170 LXELRLZZNPGKBS-RVDMUPIBSA-N 448.470 0.754 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1833532174 GLBYHNMANHKUKW-SJORKVTESA-N 429.993 0.558 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1834084208 JGQCWAKEPWAAAC-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826771 VJCMSPLVQHNDRA-SWLSCSKDSA-N 427.723 0.482 50 20 ICGD O=C(COCc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835365280 PUVOMCFDHFQSGE-YLJYHZDGSA-N 426.897 0.259 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2 1835598723 SYFGSRFYQVHMQE-XSWJXKHESA-N 434.375 0.990 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717466 WLSQFTDELKNIHA-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cnc[nH]3)CC2)CC1 1837448234 BGZWRDZMHUAUDG-UHFFFAOYSA-N 441.492 0.334 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cncs3)CC2)CC1 1837554310 UTPBPMMTZPUKJE-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200159 GKDKSGJQCBNVMU-XJKCOSOUSA-N 425.295 0.947 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839336868 YRJSGQBQJFQFHA-GHTZIAJQSA-N 448.907 0.542 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840030751 VOUWELZNBYERKR-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840658624 DABRJYLLJNOMID-UWJYYQICSA-N 438.908 0.681 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)OC(C)(C)C)C1 1842767722 OWWJBLRNOFNRFJ-UHFFFAOYSA-N 425.530 0.430 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCc1cnn(C)c1)C2 1843415873 XASKOUNUYFFUCA-BUVRLJJBSA-N 425.493 0.690 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1843820942 DCTXUGLLBJXUTI-KKUMJFAQSA-N 445.944 0.407 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 726076728 AGLDTLMBAGITHD-OAHLLOKOSA-N 444.579 0.632 50 20 ICGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 732260473 DSZOFQCYXLBWGS-JZXOWHBKSA-N 432.521 0.690 50 20 ICGD O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(CCCCl)cc2)[C@@H](N2CCOCC2)C1 735919167 BYOZUDWAYSHQJR-IRXDYDNUSA-N 436.983 0.634 50 20 ICGD CCc1cc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc(-c2ccccn2)n1 738537932 COLJVMSITQCTRK-UKRRQHHQSA-N 444.517 0.580 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 744385097 KVGRYIQJFLDCJV-UHFFFAOYSA-N 434.921 0.979 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCN(C)CC1 745431022 BFVGNALTGCXYSB-QGZVFWFLSA-N 440.570 0.698 50 20 ICGD C[C@H](CC(=O)OCC(=O)NNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 745496281 KNPKSQNTRJLXAE-CYBMUJFWSA-N 444.469 0.508 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2F)s1 746013785 PGFSSVHBFACNKM-UHFFFAOYSA-N 428.467 0.263 50 20 ICGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1 746111002 VTKGGRBDXIVJKI-LJQANCHMSA-N 435.488 0.870 50 20 ICGD CSC[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746553396 KBGWBMRBOJKFPD-OWCLPIDISA-N 443.529 0.931 50 20 ICGD CS(=O)(=O)CC1(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 746861349 BEVKPKDVAOZXCE-UHFFFAOYSA-N 431.536 0.366 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(CN2CCS(=O)(=O)CC2)c1 747327633 NSMGAFINKMABHM-LJQANCHMSA-N 445.497 0.518 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CN(C)C[C@@H]1C)c(=O)n2Cc1ccccc1 752163605 HWKSUXKWRVEQAH-HNNXBMFYSA-N 437.504 0.482 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccnnc3)CC2)cc1 756745647 QYTNSOJWCOTKRQ-UHFFFAOYSA-N 433.490 0.737 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN1CCOCC1 763574978 NDGBSMWPMWCXQY-IBGZPJMESA-N 440.456 0.445 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763807661 DYVJEKVTHOFKHA-UHFFFAOYSA-N 426.385 0.275 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 763871036 CVCHLVTZYWXTCL-GFCCVEGCSA-N 445.432 0.353 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 764431953 HDXUHIKOHKKOOR-LBPRGKRZSA-N 437.346 0.605 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764635714 MRJGUBNWOJKSFO-LBPRGKRZSA-N 430.442 0.457 50 20 ICGD N#Cc1ccccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765119389 VOXYVLUTZIDOTA-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 768244819 NKBZKBNXANLWBO-CHWSQXEVSA-N 427.523 0.894 50 20 ICGD COc1cc(N2C[C@H](C(=O)NNC(=S)NCCSC)CC2=O)cc(OC)c1OC 769768857 GVYASEGANIJZOO-LLVKDONJSA-N 442.563 0.924 50 20 ICGD CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 770368453 MPALHFJJBKHXKF-UHFFFAOYSA-N 439.480 0.564 50 20 ICGD CSCC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)c2ccccc2C1=O 770973596 FHRFVHFGNBROJV-ZDUSSCGKSA-N 441.473 0.930 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(C)cc2O)C1=O 771249542 IJMPPEYUMCLJHE-OAQYLSRUSA-N 426.429 0.937 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1F)N[C@@H]1CCS(=O)(=O)C1 775275476 IYAXFMUJTINTMN-MRVPVSSYSA-N 430.277 0.268 50 20 ICGD Cn1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1N 777792512 RGVCJXCQTADSQV-UHFFFAOYSA-N 428.474 0.556 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 781021774 RJEZRRVUZWMCRO-HXUWFJFHSA-N 436.465 0.744 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264345 NCJUXNSDTFDOCI-UHFFFAOYSA-N 431.474 0.862 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNc1cc(C)ccn1 783934539 VGFKYZGBJLGGOX-UHFFFAOYSA-N 426.477 0.868 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC[C@@H]2CCCO2)c1 784004824 WBVVOZJCZPJIMY-AWEZNQCLSA-N 444.444 0.662 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1N1CCOCC1 785060057 GOZZYJAIRIJWAB-UHFFFAOYSA-N 436.472 0.808 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1Cl 788480944 OMJGQNFQWIHNOG-ZETCQYMHSA-N 430.913 0.241 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1C 794587721 OUZXGOSILIYBIW-UHFFFAOYSA-N 449.514 0.712 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797000383 CKZGGFZWZYOTFQ-INIZCTEOSA-N 428.376 0.872 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)c1 797370062 TYKVZSSTJLALCU-GFCCVEGCSA-N 433.490 0.867 50 20 ICGD O=C(CN1C(=O)c2ccc(Cl)cc2S1(=O)=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 800840483 NKHZDSFIONDIMJ-UHFFFAOYSA-N 438.805 0.854 50 20 ICGD COC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 804125367 GQVGLQKWIBVYAM-UHFFFAOYSA-N 440.522 0.646 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 806966876 UGWUZEUMEFHJOH-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD COCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCN(C(=O)OC(C)(C)C)CC1 807267111 PSGYPVBEVSFMIY-UHFFFAOYSA-N 441.529 0.603 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 808045475 LTQAOAYSPMOBGC-UHFFFAOYSA-N 430.483 0.567 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1S(N)(=O)=O 812428935 OSZGPBFRZXJFNP-UHFFFAOYSA-N 449.489 0.429 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 912919627 QSQLKEFDZUHZOF-BZUAXINKSA-N 446.504 0.457 50 20 ICGD O=C(NCc1nnc2n1CCCC2)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916648311 SKAATFVCGSNXNN-UHFFFAOYSA-N 447.521 0.543 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)C#N)c(=O)n2Cc1ccccc1 918016857 LVIVZAPLAFDUEJ-UHFFFAOYSA-N 437.460 0.125 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(F)ccc2NS(C)(=O)=O)c2ccccc2c1=O 920418449 UVZGWFNGGCPRCA-UHFFFAOYSA-N 433.421 0.519 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@@H]1CCOC1)N(S(C)(=O)=O)CC2 921202989 NZZAVFSUKHBLPE-UKRRQHHQSA-N 441.506 0.137 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779418253 UMOCMXNBKRCVQD-RMPUKLGUSA-N 431.917 0.629 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779996769 CQXYCTBVAMTSKQ-QFIPXVFZSA-N 438.488 0.259 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)C(C)(C)C)C2 1782210504 XEADQXFQVJUUKU-FQELHTAISA-N 426.558 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccnc1)C2 1782212086 SRGIWJNVEGKUQK-XMSQKQJNSA-N 431.537 0.511 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc21 1782307021 FNPQVADENAAJRR-XMMPIXPASA-N 448.284 0.253 50 20 ICGD O=C(COC1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783857481 PSXCQCUZZJRTGA-YYWHXJBOSA-N 444.337 0.309 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950269 VJELDRZCKWESFD-MRXNPFEDSA-N 433.248 0.390 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1784652329 QVYSRTVAUIUZQJ-NYHFZMIOSA-N 438.488 0.327 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cocn3)[C@H]2C1 1786228361 VLHCGVGFDQXCQB-JHUKZBBPSA-N 428.449 0.402 50 20 ICGD Cn1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)cc1O 1787052411 NCMBSAFFICGVFU-UHFFFAOYSA-N 434.261 0.867 50 20 ICGD O=C(/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)NC1CC1 1788145747 WSCMJWUELCCYDN-QXMHVHEDSA-N 447.300 0.949 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788150390 HVDMYEQDDTVQAQ-IBGZPJMESA-N 435.289 0.735 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)cc1 1789582011 ZVCNNEHRJVWCFH-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N(CC)CC 1791288020 OOBAEBRIASWEEW-OKYOBFRVSA-N 439.601 0.460 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr)c1n[nH]c2c1CS(=O)(=O)C2 1795492053 DMTYSNMYZSMCSP-JGPRNRPPSA-N 445.339 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccn2c1 1797623051 XUVUDPPXDALWEQ-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748332 QXTWRDAUAXOBIC-HBCWATKFSA-N 441.463 0.650 50 20 ICGD O=C(CCCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797882825 MEYLXWHNKUUJCE-HATOLVCRSA-N 439.321 0.242 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798647760 BYLLWIAJZFVUOC-LVQVYYBASA-N 437.504 0.833 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)N(C)C(=O)OC(C)(C)C 1799135018 RCTIEOHTFWTLMH-UXXRCYHCSA-N 433.933 0.431 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1800640451 YSQUMAUKGKVWKB-XJFOESAGSA-N 441.326 0.763 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800727907 YGNCHESYHSBRPR-QRJUGERDSA-N 445.944 0.887 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1OC 1801011921 URTMMERJHBTACD-VPTLXERWSA-N 448.520 0.280 50 20 ICGD O=C(CN1CCCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802557340 PAIHPBWJYVQZOG-DENIHFKCSA-N 436.321 0.177 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1803014446 DYOMBTAVOAQTQI-AXAPSJFSSA-N 436.310 0.994 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1804072182 KNLNMYOSJMFPRN-AVRDEDQJSA-N 446.552 0.329 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367787 MJXVMSVBQIENME-DFQSSKMNSA-N 439.346 0.977 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1807369520 MSWKFLAELDDIDA-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1808296472 QZGHXRLVTAETKO-BFIPOCKSSA-N 444.363 0.917 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1CCC=CO1 1810258058 JUKRWROFLYYPFS-TYPHKJRUSA-N 435.289 0.774 50 20 ICGD CNCCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302208 IDNKRQSRLNVHHM-OXQOHEQNSA-N 439.520 0.399 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819268185 VUNZJSRRXBCDFR-DHMKHTPVSA-N 440.570 0.934 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819428414 DDRSHXQKIZLPLU-ILXRZTDVSA-N 444.872 0.496 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1826089036 WJSVQRBRDUOIDI-GFCCVEGCSA-N 429.506 0.942 50 20 ICGD CSCC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089645 JOJNBHFAQCRXQU-YPMHNXCESA-N 443.595 0.542 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c1 1827229025 HIURNCXEVPVXEJ-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 1828926930 UIGXDDVICSJNFS-SFHVURJKSA-N 425.493 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2C)CC1 1830403024 MCMZMIVIIARDNI-ROUUACIJSA-N 435.569 0.600 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830543234 NPXGBBQCJVNRGY-SJCJKPOMSA-N 446.298 0.268 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737084 CTIWMJMZRKRRCB-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1C 1830953891 ODNFPLMKQYYVHZ-OALUTQOASA-N 447.363 0.964 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)CN1 1833121724 KOVKMPSJHPYUDH-MLGOLLRUSA-N 447.349 0.775 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833266331 ZQEHZPJRJLNFBN-CYBMUJFWSA-N 428.327 0.677 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1833782035 MXCSRYHRJCLLHQ-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857044 MOKLABNILDQFKI-GUYCJALGSA-N 435.315 0.570 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1835043314 NESMWQNJZHXIHS-QHCPKHFHSA-N 446.548 0.367 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(Cl)ncn1 1836025225 GZHYUYWSRRAQRP-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(Cl)ncn1 1836025227 GZHYUYWSRRAQRP-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198095 SXQTVBZZJAAYAX-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200155 GKDKSGJQCBNVMU-DVOMOZLQSA-N 425.295 0.947 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1839964627 XNCIHJVOFMPPNJ-GDZNZVCISA-N 449.346 0.063 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1840149378 NOCYAQRIOVLVOS-RDTXWAMCSA-N 429.926 0.694 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840151316 YGJBBELXJBHJTI-CVVKJMNTSA-N 432.945 0.495 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1840152997 APQSMGZSPXDJDF-HRAATJIYSA-N 448.907 0.954 50 20 ICGD CCOc1ccc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)nn1 1843416413 GQUAVINNCRCVAY-OEAKJJBVSA-N 439.476 0.826 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845004963 OOHFHFOAFSWFRH-OAHLLOKOSA-N 447.511 0.520 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)c2)C1 1845390804 AKXBJEXEIOGVGM-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 22685369 CCCXGLXOWCNFDK-INIZCTEOSA-N 435.506 0.418 50 20 ICGD NC(=O)c1ccc(C(F)(F)F)n(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1=O 31798626 LCRYYMUXMOLOFA-UHFFFAOYSA-N 427.295 0.335 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(OCCN2CCOCC2)c1 725871116 GKSZGROFYAYOLS-UHFFFAOYSA-N 445.476 0.251 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731453821 PHTQYMXYZOCZFC-UHFFFAOYSA-N 444.433 0.543 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2c1=O 731640102 GPQPUJBJTNXGEG-UHFFFAOYSA-N 443.485 0.837 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734239798 DGLOMIKRIWJUDI-UHFFFAOYSA-N 449.917 0.717 50 20 ICGD C[C@H](CC(=O)NNc1nc2ccccc2c(=O)n1C)/N=C1/NS(=O)(=O)c2ccccc21 742673008 UCEXCEWHKQVDJO-GFCCVEGCSA-N 440.485 0.894 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 746386101 MYCACPPXIFZNFC-ROUUACIJSA-N 432.521 0.399 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746387579 MKNQBZZQXUCRKV-AWEZNQCLSA-N 440.953 0.760 50 20 ICGD C#CCN1C(=O)C(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2cc(Br)ccc21 747049875 XUGBDPRIWNNLBE-NSHDSACASA-N 439.291 0.619 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 748520129 LFTIXVIUQXGSLI-UHFFFAOYSA-N 441.413 0.135 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659927 JXYIZBPDMFIOAJ-LLVKDONJSA-N 429.430 0.031 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1F 752521034 INJYTELCGKJWLR-UHFFFAOYSA-N 444.466 0.604 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 753451041 DOTCXLDDUFAPME-GFCCVEGCSA-N 430.856 0.705 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCc1ccncc1 755666478 NOURFMKLOVWDSH-GFCCVEGCSA-N 437.478 0.760 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cc4ccccc4cc3O)cnc2n(C)c1=O 755847761 WKPNGNIYXHMEGZ-UHFFFAOYSA-N 434.412 0.958 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 756496161 VQTKCYMQPKIEFH-JSGCOSHPSA-N 445.519 0.227 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(Br)cc2)cn1 758037294 ZDPBRPXXNNBRKW-SECBINFHSA-N 430.284 0.334 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 758749292 ABCIITYBWSOZQI-HIFRSBDPSA-N 427.465 0.966 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)o1 758781852 IGTOOEQKTAHEEK-UHFFFAOYSA-N 445.498 0.437 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758841863 WKIHMLZXHNXWLW-JTQLQIEISA-N 425.854 0.188 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC2(C)OCCO2)c1 760158465 JIOSNHCKODEEFS-UHFFFAOYSA-N 428.511 0.814 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763569745 BHEABPQLIBJWNW-SJCJKPOMSA-N 442.428 0.586 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(F)ccc2C)cc1 763737971 RHSZSWDCYTXDGJ-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 763936435 LHWMFSTURFLLAN-UHFFFAOYSA-N 446.895 0.924 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764276016 WGLQWEXXCGVKBX-UHFFFAOYSA-N 443.445 0.255 50 20 ICGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764276087 YZYXHTAJKIVZJL-UHFFFAOYSA-N 444.444 0.658 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 764435898 YQULXDDKSPHUKW-LBPRGKRZSA-N 442.259 0.740 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 765318463 HNZDGEHMDGQILO-HXUWFJFHSA-N 433.465 0.807 50 20 ICGD Cc1ccc2c(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)coc2c1C 765721934 PMUGPRPOMMAGFN-UHFFFAOYSA-N 438.444 0.187 50 20 ICGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 767585651 KTUZJBGOZDDBIF-ZDUSSCGKSA-N 429.495 0.781 50 20 ICGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 771607420 MIXADJGHRKRZQO-UHFFFAOYSA-N 436.877 0.485 50 20 ICGD CCc1nn(C)c(OC)c1CNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 772603564 AYMPGVDXJBOBOH-UHFFFAOYSA-N 425.515 0.899 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(I)cn2)c1 773548280 WZDIPLKKQUVOPU-UHFFFAOYSA-N 435.181 0.958 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)[C@H](C)O)cc1 779515471 QEVHJGXLERXPOE-YWZLYKJASA-N 444.513 0.825 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 779777041 MVXHQCDXNLDXLI-KRWDZBQOSA-N 437.504 0.448 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 780709269 OFIAYBZCXJVZQV-UHFFFAOYSA-N 437.478 0.267 50 20 ICGD CCCCS(=O)(=O)NCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705654 ZRDUBIAMYDQYFE-UHFFFAOYSA-N 435.547 0.342 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 784003454 GGDMMMNUVDENAG-UHFFFAOYSA-N 443.485 0.386 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 785614383 SDTICCUJROJVKD-QFIPXVFZSA-N 440.544 0.872 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 786327374 SLOXWEXCKQHTMQ-MRXNPFEDSA-N 432.864 0.849 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)c3cc(N4CCNC(=O)C4)ccn3)nc21 786949088 HAUKPMIWMVHMEP-UHFFFAOYSA-N 425.453 0.375 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1OC 792638024 PBBYHMTUKHARHU-UHFFFAOYSA-N 428.463 0.364 50 20 ICGD COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369491 ZULWCEKJRHLWRF-UHFFFAOYSA-N 443.416 0.877 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OCC(N)=O 802106352 CMNFMXOYKWXYIK-UHFFFAOYSA-N 432.389 0.763 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)C(=O)Nc2ccccn2)s1 807565470 MHPMHBYILWEUKS-ZJUUUORDSA-N 434.482 0.428 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)Cc1ccncc1 810467873 GJAOIUYDNGCVEG-UHFFFAOYSA-N 432.380 0.649 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)cc1 813033620 BYATZUMCWLAZBR-UHFFFAOYSA-N 447.452 0.739 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc(N2CCCC2)n1 813855817 UOKMXRBZFYIVNS-UHFFFAOYSA-N 436.476 0.776 50 20 ICGD COc1cccc(-c2noc([C@@H](C)NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)n2)c1 814307406 GXAGEHSLNKLECH-DGCLKSJQSA-N 426.437 0.991 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)cc1 815657217 RSUUTKDLQJNLIX-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)C1 816510302 RJKPTMSLNOAERI-ZDUSSCGKSA-N 445.476 0.897 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913156158 XKYINKOSLIZNFY-UHFFFAOYSA-N 429.462 0.344 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 913465104 GPKOCTZLQVWULT-UHFFFAOYSA-N 425.449 0.819 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1OC 915775583 HSBKCZHODPDVRY-UHFFFAOYSA-N 431.474 0.716 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 916228487 CRMOATTXLSGLAK-UHFFFAOYSA-N 436.494 0.474 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 917940945 KKNXHZCHEYQKIK-JTQLQIEISA-N 444.466 0.150 50 20 ICGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918100021 HOJGABDETLJANZ-CQSZACIVSA-N 437.522 0.426 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccn1C)c(=O)n2Cc1ccccc1 920504030 JNZMUTPRSWFWDU-UHFFFAOYSA-N 449.471 0.228 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 920739087 UPPNQWUCJAORRW-CHWSQXEVSA-N 448.492 0.280 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc[nH]1 1115816197 JKBFAGCKPHJILJ-CQSZACIVSA-N 426.882 0.662 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cn4ccccc4n3)CCO2)C1 1779030816 XRFPNWOCOCJUAJ-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(C)(C)C)C2 1782209397 MLDCOPAIVCSPEU-IIBYNOLFSA-N 426.558 0.688 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783349203 JOVCWOYLGDPFKY-ZQIUZPCESA-N 434.331 0.141 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938372 WXZQVIZHDSAVTO-HRAATJIYSA-N 433.509 0.052 50 20 ICGD C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1ccnn1 1788150552 XGAJSWIPWCABTE-OAHLLOKOSA-N 433.277 0.967 50 20 ICGD Cc1nc2sccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788437657 XSLHGJXHVNRMRI-XUXIUFHCSA-N 426.926 0.897 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1790964070 RRKHLUORCQRTCK-RVMXOQNASA-N 437.356 0.957 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C[C@@H]21 1791253462 AQTRRILYBSFUJY-HJWJTTGWSA-N 435.912 0.885 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)[C@H](O)CCl 1792975371 RGFIGVFQHDSIDG-YALNPMBYSA-N 435.908 0.595 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1793099583 AMFGAOSTPMZXKK-XWCCPHMRSA-N 428.294 0.208 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1795114970 RXYJLNIQKVXTIH-VPKNTQAGSA-N 442.354 0.762 50 20 ICGD O=C(CSc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795270803 JDICJRVLSUNAPM-UPHUGPLXSA-N 440.330 0.362 50 20 ICGD O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191246 PJMOGJHROGPWCD-REPLKXPHSA-N 426.253 0.836 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799256504 MRAVQNKMXZDASK-NEBZKDRISA-N 437.896 0.652 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799273768 HAMCXZZQFVRVRO-CQUYNDQOSA-N 444.381 0.140 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(O)cc1O)c1ccc(B(O)O)cc1 1800289360 PEMDANVFGMDCRH-QDMKHBRRSA-N 444.680 0.997 50 20 ICGD CN1CCC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CC1 1804932475 UMVHEHBTOSNEEN-UHFFFAOYSA-N 427.354 0.553 50 20 ICGD Cc1nocc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369687 RWNKQZYWLZSSMP-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1808765382 ZXTOWKTTXMUQJM-RXVVDRJESA-N 445.288 0.493 50 20 ICGD COCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817469668 CYYDVCIHDDAKSI-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCN2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817478559 GEKZFPQOENNKHE-LJQANCHMSA-N 439.325 0.881 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(O)c2)[nH]n1)c1cccc(B(O)O)c1 1817478910 CZDNHTCVGXQCFJ-SFHVURJKSA-N 435.249 0.810 50 20 ICGD Cc1nn[nH]c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817721101 CFSYFRPCCMRENX-AWEZNQCLSA-N 438.452 0.454 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004915 WUTAPBHRPQASEA-CVJICSNFSA-N 436.307 0.338 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1823806580 SYJQTZKSDMWLHE-JOCHJYFZSA-N 441.381 0.942 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054802 KYRSTGWCFQEELD-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD O=C(c1ccc2ncccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727829 HAQFJBYYFHTRBU-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733034 ZSOWHHAYRAMRBU-QFBILLFUSA-N 432.851 0.563 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832015075 KMDHNXZNPRLTIS-FQEVSTJZSA-N 441.912 0.023 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(Cl)nc3)CC2)CC1)[C@H](O)CCl 1833307261 QKBACMOBZINTDN-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CC1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1833403030 AYSQMQAFEVTXOB-LJQANCHMSA-N 429.005 0.890 50 20 ICGD CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833492777 QTAKNPYCZVPKRI-HXUWFJFHSA-N 441.642 0.885 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1833519559 KCBCNSMRDZAILE-OXQOHEQNSA-N 425.913 0.968 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835984 WWBGWODKCDZILU-OAHLLOKOSA-N 439.877 0.727 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838783995 LCHOAVHHZFOPQP-MRXNPFEDSA-N 438.569 0.973 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839148177 PPGYVWXQUIHNQJ-IFXJQAMLSA-N 439.875 0.956 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031111 FYHAINRGWBELCH-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034077 ZUKIWZVVELQGAD-RMKYTRAYSA-N 439.372 0.385 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840036553 OAVKGVZIXTZFEO-ADAWSYLGSA-N 433.343 0.777 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840150870 SJPUCLUESKNZKQ-BFUOFWGJSA-N 444.891 0.750 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1844264645 UGEJKIHOCCRDRH-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 12606402 ILVCCABOTVHFIU-UHFFFAOYSA-N 449.533 0.811 50 20 ICGD Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)NNC(=O)c1cccs1 14672399 KHDQOTZLXBEQHT-JTQLQIEISA-N 429.549 0.407 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C 18996061 KXFRTFNFSQCBBH-UHFFFAOYSA-N 443.503 0.753 50 20 ICGD O=C(CCNC(=O)OCC(F)(F)F)NNC(=O)c1csc(N2CCOCC2)n1 115685069 QUSDMNOVVGXXCP-UHFFFAOYSA-N 425.389 0.419 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2nc(-c3cccnc3)no2)cc1 728079570 XUYSNKDMJKGNOD-UHFFFAOYSA-N 445.461 0.854 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728847402 DEIZEKRRFWATDO-UHFFFAOYSA-N 446.533 0.841 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(O)cs1 732257066 CXHHXHIBGUPBQD-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3cnnc4ccccc34)cnc21 733808896 MKRZJEUVXCKQMC-UHFFFAOYSA-N 429.238 0.979 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 742479991 FBEWCBMJFQQQKI-KNCCTNLNSA-N 431.445 0.406 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)o1 742583183 PQUNFUDVXRBAFH-DTTOXWODSA-N 432.477 0.435 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 751200855 AADGLSNHNZYPLZ-LLVKDONJSA-N 449.261 0.972 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 755261521 XSDVURQXOCTSSR-LUVWLHFXSA-N 442.472 0.845 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2-c2ccccc2)n(C)c1=O 755393240 UOSXMDOMWOFSDU-UHFFFAOYSA-N 447.455 0.954 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756034191 WYJXOGGQPQVTMJ-GFCCVEGCSA-N 448.473 0.051 50 20 ICGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2NC1=O 763570646 HGGPPXMZKMVLKZ-QFYYESIMSA-N 426.385 0.332 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ccccc23)c1=O 764051539 MAIAIGWHHXGYIQ-UHFFFAOYSA-N 436.424 0.964 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 764136807 TZZXQSKPMFTHGX-CYBMUJFWSA-N 428.445 0.997 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764144192 VNAWRTRSEFWRBW-UHFFFAOYSA-N 444.897 0.247 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 764177071 IDFUVFXNEHHTOM-UHFFFAOYSA-N 441.469 0.707 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 764321484 YGPXSQHYBCFXNU-UHFFFAOYSA-N 442.447 0.556 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 764548656 VBOOQWWRDRXYFS-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)n3C)CC2)cc1 765727306 HXNLERUWPHQRRP-UHFFFAOYSA-N 433.534 0.409 50 20 ICGD CC(=O)Nc1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cs1 766635674 CDXXSUBXWMKFOK-UHFFFAOYSA-N 430.490 0.321 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 766636812 UXWLREQVMGPHDF-UHFFFAOYSA-N 447.517 0.166 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 767058456 QIYGGLWXFLXOEA-CYBMUJFWSA-N 440.342 0.951 50 20 ICGD CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 769002268 ILIXGAMVNHGWHM-KRWDZBQOSA-N 431.376 0.928 50 20 ICGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 776248813 PCORCVYJUYTEBP-SFHVURJKSA-N 429.429 0.905 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 777940018 UILNCRFPRVMMRR-UHFFFAOYSA-N 425.460 0.063 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccncn1)N(S(C)(=O)=O)CC2 779369005 SHFOYIRZHLPOSH-OAHLLOKOSA-N 449.489 0.204 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc([N+](=O)[O-])ccc3O)cc2)CC1 779674596 LRQONJJVKIENSS-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]2CCCO[C@H]2C1(C)C 783592433 DIPBOHGOMXYWFQ-LKBUQDJMSA-N 438.525 0.855 50 20 ICGD Cn1c(CC(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)nc2ccccc21 784293190 BYQVJPGRZCWRHM-JKSUJKDBSA-N 425.489 0.704 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cc1 784828552 HOEFDQLEBAEODR-UHFFFAOYSA-N 437.434 0.601 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnccn1 790382444 DEVHVPVFWLHDPU-UHFFFAOYSA-N 439.519 0.665 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 792014816 NINQSHQAJCBJLA-RDTXWAMCSA-N 441.362 0.606 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 801108247 FMOULLKRFXRCOF-UHFFFAOYSA-N 436.446 0.009 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)n1 801894434 UXUUILPQGYSQPF-UHFFFAOYSA-N 435.462 0.744 50 20 ICGD COc1ccc(C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1OC 804892789 XPILUMLMZJSZPB-LBPRGKRZSA-N 442.416 0.470 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806974545 DCUDOPHDKWQSEZ-UHFFFAOYSA-N 436.783 0.975 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)C(=O)Nc2ccccn2)s1 807565466 MHPMHBYILWEUKS-NXEZZACHSA-N 434.482 0.428 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1=O 814724038 GOGUFPMSTKKUSI-UHFFFAOYSA-N 447.455 0.191 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 817054502 LXJJMRYFUUULLY-UHFFFAOYSA-N 426.520 0.992 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912952836 NZNLEIOPILZFGC-BELXIORKSA-N 437.562 0.776 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)CNC(=O)c2ccco2)c1 913445807 RACMJAVPFRIROV-UHFFFAOYSA-N 425.492 0.278 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 914711280 TXWXMYPSBYETDM-UHFFFAOYSA-N 437.474 0.757 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914714687 AXYGZQURQHCDOE-GFCCVEGCSA-N 441.437 0.668 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2csc(C)n2)cc1 916254823 RLSVRAIHPKJXQN-UHFFFAOYSA-N 425.536 0.954 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2OCC)CC1 916383728 PQCWHSUCGCJAMQ-UHFFFAOYSA-N 442.538 0.999 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 919694365 YYSLNECXUKTQIY-KOLCDFICSA-N 434.301 0.928 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1O 919958583 REKXRKQETNNAHA-UHFFFAOYSA-N 429.476 0.274 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(Br)cc2)nn1 1323723866 ZMWSXHDSKJNQJM-SECBINFHSA-N 428.268 0.226 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1ccc(-n2cncn2)nc1 1337480095 AANPFDIPLWZPEH-UHFFFAOYSA-N 443.493 0.408 50 20 ICGD Cc1ccc(O)c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780565257 LDBSDVIYZBYGRC-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980810 GVQZNDUITNGIHF-KGLIPLIRSA-N 434.242 0.731 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1791057038 MEWRSLZAIYJBJM-ABHRYQDASA-N 426.311 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(F)c[nH]3)[C@H]2C1 1791114674 HROGSONYIKGBJS-KCTSRDHCSA-N 430.440 0.059 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797652627 JSUPHKINRBLWCU-MWGHHZFTSA-N 445.232 0.713 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1797957624 QWYNVVIRURBIIJ-PEGIJTEDSA-N 435.479 0.878 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799085343 OSOPKNXJKKLORS-DPYKFYPSSA-N 436.310 0.645 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)c(=O)[nH]c1C 1799347939 VCGDHOXBVYGMCB-LSCVPOLPSA-N 431.262 0.280 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801296189 YFODSMYCYYDPBN-FQUUOJAGSA-N 433.465 0.499 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804499812 FOASPPCGCNMJTQ-DENIHFKCSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnsn1 1804993922 FHNITNPXBNHZEI-QAPCUYQASA-N 437.290 0.246 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360913 MHZAHIBAFJNPGP-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD CN1CCC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)C1 1807563317 IYOUZFBMCWXHHZ-IPJJNNNSSA-N 444.580 0.802 50 20 ICGD Cc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cc(O)n1 1809966562 FCIMXKUFGBPSAH-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293251 BHAUMQCKPZRMQU-QAPCUYQASA-N 440.504 0.825 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1810304607 FLEBTYSZNYREAC-YWZLYKJASA-N 448.487 0.366 50 20 ICGD COC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354778 CWPJOWMKVGUZNO-ZDUSSCGKSA-N 431.279 0.002 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)c1cccc(B(O)O)c1 1817473358 OHKWMMVSHYOIPJ-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)C1CC1)CC2 1819793289 LOGCKFANXIYSFY-JTQLQIEISA-N 428.474 0.347 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824400435 LYDQTCVEJCJKKS-AEFFLSMTSA-N 437.585 0.894 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052027 MVOMUJKWRZOLEY-PKHCJMHPSA-N 448.394 0.758 50 20 ICGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550949 FCWAEBZHIHEACF-UTKZUKDTSA-N 433.892 0.671 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1830537881 RMMBMNXDTJUPAJ-GUYCJALGSA-N 427.299 0.578 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722420 BBZNMVCOHIRHNK-VQIMIIECSA-N 432.851 0.563 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC3CCC3)CCO2)C1 1831070636 XOZJCLGXQFARAQ-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831107591 MYCXXBKCOKAUIW-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD O=C(Cc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833125166 OFNDFWFCWWSGFH-HOCLYGCPSA-N 431.262 0.166 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1833447126 BIFPHQJOAJEMID-XJKSGUPXSA-N 449.277 0.189 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1834523917 CHDVFIWVTZIFAB-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834822216 DPIHGLPFJQFYOP-GOSISDBHSA-N 441.326 0.651 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(CO)o3)CC2)CC1 1835928974 WQAWBEOPBANDNQ-UHFFFAOYSA-N 449.552 0.330 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1836751437 PTPRREKRDUNFEL-ZMPRRUGASA-N 445.520 0.191 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062714 DCDZMGPCSJJLLK-BDJLRTHQSA-N 431.287 0.216 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311575 ZLWXUUPACVDUFD-MEDUHNTESA-N 449.733 0.927 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431665 YSUUHHREFNLWDM-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c12 1839610221 BURSJFMEXVQSOB-OXQOHEQNSA-N 436.896 0.312 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840034090 ZZYPMBFJLQICEA-UGSOOPFHSA-N 443.342 0.836 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840034597 QWQHCMMSPMEICI-SCLBCKFNSA-N 443.342 0.836 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(Cl)nc3n[nH]cc23)C1 1843205155 YWPIAPQLVDWDLS-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844287558 CUMFQJMUTFWJAU-KBPBESRZSA-N 433.299 0.858 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846960812 DMBHKDDPCNRIQQ-QGZVFWFLSA-N 445.325 0.487 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)n1cnnn1 1848098800 ZQQDHCCLPIAKFK-XUXIUFHCSA-N 441.920 0.568 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)NCC2CCC2)cc1 727866288 XFUWKTKDYWJCKK-UHFFFAOYSA-N 427.552 0.609 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728638313 CXYUHWPIQAKFKJ-KRWDZBQOSA-N 427.413 0.533 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 729274551 RKMRNOIYLYOABD-CYBMUJFWSA-N 439.515 0.359 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733365246 WQLBGDLDURFTQK-UHFFFAOYSA-N 441.469 0.814 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1 742479737 DORKZNXHBCXQAW-UHFFFAOYSA-N 446.304 0.844 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 742489361 AYQHMQVVWQVNLY-CABCVRRESA-N 425.507 0.877 50 20 ICGD O=Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1 742578154 WXSNNBHDVJUWTG-SNVBAGLBSA-N 434.268 0.158 50 20 ICGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(Br)c1 743264190 QNBVLRNBPDCCAH-UHFFFAOYSA-N 434.293 0.720 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 744447393 GQWXWGNTBJHNEG-UHFFFAOYSA-N 439.538 0.213 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744561769 UGECUKXLUQVPIT-UHFFFAOYSA-N 442.453 0.641 50 20 ICGD O=C(CNC(=O)NC1CCCCC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619609 TXUVCQJUGMYBSB-UHFFFAOYSA-N 439.538 0.783 50 20 ICGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746328334 LFFFCZDHTLQRBM-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD N#Cc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 754261365 WFKFUZGNDVUAQR-JTQLQIEISA-N 437.297 0.000 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2OCCC(N)=O)c1 756068019 VXEWLWGNEVWWRA-UHFFFAOYSA-N 449.489 0.658 50 20 ICGD CCCCOc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756162743 BJSKRWOKOGBPEN-UHFFFAOYSA-N 443.464 0.466 50 20 ICGD CCC(CC)[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCOCC1 758512452 LWUPTLKJYVMLRQ-OAHLLOKOSA-N 440.404 0.950 50 20 ICGD CC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 763042869 CWOHECVCZJZCJV-CXAGYDPISA-N 432.502 0.794 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCC[C@]3(C)NC(=O)NC3=O)n[nH]2)cc1OC 763146673 DOJYQISBINIVGC-FQEVSTJZSA-N 444.448 0.623 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)c(C)o1 763578056 MWCFWBPHHLISLF-UHFFFAOYSA-N 441.488 0.613 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763623923 RFUBQPOLYDFTBJ-UHFFFAOYSA-N 449.485 0.580 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1 764002592 OIINYFNLDQVQHG-UHFFFAOYSA-N 437.250 0.903 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc3ccccc3c2)cn1 764092366 SLDOXZVITFKAEQ-UHFFFAOYSA-N 426.454 0.967 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 764299481 ICTCNUHLFABEDQ-UHFFFAOYSA-N 430.804 0.873 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)nc2n(C)c1=O 764332722 AQTOELIPOAIWTG-UHFFFAOYSA-N 444.398 0.560 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccncc2)c2ccccc2O1 764354878 ZERATABWOPISBO-QGZVFWFLSA-N 425.445 0.092 50 20 ICGD CCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC 764401071 UMEXSZATBBVWPI-JTQLQIEISA-N 432.271 0.985 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCc2cn3c(n2)SCC3)nc1 768523750 HWYIJHNSZYBITR-UHFFFAOYSA-N 425.540 0.939 50 20 ICGD O=C(CCCNC(=O)c1cccnc1)NNC(=O)CCN1CCN(c2ccccc2)CC1 772000047 XHNSGKQMYNCLSA-UHFFFAOYSA-N 438.532 0.951 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)CC1 773460402 YWVCZTAJJRXVMK-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 773731541 RTTHNZIMPAXJIM-UHFFFAOYSA-N 428.858 0.471 50 20 ICGD CN(NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205565 MFUBDMNOWFEORD-CQSZACIVSA-N 447.558 0.436 50 20 ICGD O=C(CO)NNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 777781715 IXPHCHAPZASGIB-UHFFFAOYSA-N 425.385 0.126 50 20 ICGD O=C(NNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 781882903 ISHXWWXJTXJJOZ-UHFFFAOYSA-N 448.436 0.193 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783262925 FAKWSKGJIBYYNJ-UHFFFAOYSA-N 434.478 0.210 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)c1=O 783351318 BYQPYVQAGUIYKN-UHFFFAOYSA-N 429.458 0.535 50 20 ICGD CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783424537 FIMWPKHVMUHDCM-IBGZPJMESA-N 440.522 0.848 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 788158103 BWXPVQCVFWNJKN-UHFFFAOYSA-N 444.510 0.202 50 20 ICGD Cn1cc(C=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(=O)n(C)c1=O 807184037 RUEPMDFPESKUCC-UHFFFAOYSA-N 444.451 0.606 50 20 ICGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 809957537 NHLWXBXTBVRTLA-HNNXBMFYSA-N 446.533 0.556 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 813033944 SDWDKDRMDMSCCX-UHFFFAOYSA-N 448.440 0.134 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc(Br)c1F 815778758 FCXIOQJPRMXNCW-SNVBAGLBSA-N 432.202 0.640 50 20 ICGD Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 913229294 WRDOGPYYWPBDCO-OVCORXIESA-N 431.514 0.777 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 918550826 MNUHZIXUQRESII-HOTGVXAUSA-N 437.518 0.276 50 20 ICGD Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1254281233 TWQBQUSHTSOOCR-KCJUWKMLSA-N 425.433 0.683 50 20 ICGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1S(=O)(=O)N1CCOCC1 1321639542 JFVWRPLDLMHHSH-UHFFFAOYSA-N 433.490 0.384 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1779037136 PKALKDSDNFYXGI-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C(F)F 1780305619 ZRARXCUKJOTRBQ-HXUWFJFHSA-N 448.235 0.024 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1781474383 RXBSJIYNGZJAAQ-OGHNNQOOSA-N 449.415 0.768 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nn1C 1782210863 SZKMNVTVTZEJDZ-DYESRHJHSA-N 434.541 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782237060 FVCHKOHBAGSRPJ-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640923 NNJFQJFWHKZRGH-SJCJKPOMSA-N 427.299 0.728 50 20 ICGD O=C(COC1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783856656 JATWVSKRHWIFFI-YYWHXJBOSA-N 444.337 0.309 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)(C)C)[C@H]2C1 1784024785 HTHNBIHCLLPXIM-BTYIJUTOSA-N 447.536 0.507 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539291 LQBOEPRKVRYPAV-QGZVFWFLSA-N 433.983 0.942 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)CCl)C[C@@H]32)no1 1788667606 KOWQAHBFEOQSIC-DZKIICNBSA-N 440.928 0.958 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1cc(=O)nc2sccn12 1789136170 ADJIXPKFAUMAEO-JYYRZZBQSA-N 428.873 0.884 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790695310 JSXQGHUPUBIRQO-DKQAGWEXSA-N 443.406 0.939 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795981444 MQVVRMXULXCOTP-RNJOBUHISA-N 430.937 0.240 50 20 ICGD COc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189564 CTTKHKHNKPYBMR-REPLKXPHSA-N 438.289 0.706 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1796445580 DZBQGYUJQKTNOT-GYOFXQLCSA-N 443.504 0.278 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(CO)[nH]c2c1)c1cccc(B(O)O)c1 1797388584 XIALYCARCXYZGA-BCDXTJNWSA-N 448.288 0.301 50 20 ICGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)ccn1 1798684404 ZQQILZJVPCMCHR-OCVGTWLNSA-N 425.869 0.061 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1800759483 RFZGLGLYHYWYOR-AQDIXCGQSA-N 426.311 0.782 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362708 HOKBIPPBKPQCIO-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1F)CC2)c1ccc(B(O)O)cc1 1815341481 YXMHAKIBOAYYEJ-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD O=C(Cc1cc[nH]n1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348299 KKNCCAKQRHKWHT-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(CO)on1 1820346616 DFWLJPPTWWFCSX-KRWDZBQOSA-N 439.237 0.190 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820932780 PMLRNJCPBLWCPR-JQEORGNBSA-N 433.282 0.685 50 20 ICGD Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n[nH]1 1827052389 XOOWFOZNIQNHIU-NRFANRHFSA-N 438.337 0.874 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)o1 1827055186 USNJQLLZZBKVEL-LJQANCHMSA-N 440.309 0.534 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923858 YKVATUGPBDSTOD-KDOFPFPSSA-N 444.536 0.430 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829563870 OMRCQYQACRCEGP-KDOFPFPSSA-N 448.303 0.764 50 20 ICGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358082 PKHHAZUPSVXZDO-FQEVSTJZSA-N 442.944 0.865 50 20 ICGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)c(=O)[nH]c1C 1830358984 SSPHBMYMJVOOCO-HXUWFJFHSA-N 440.928 0.722 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)COCCO)CC1 1830369094 DRSAKFNCKQMCDV-GXDFBKAQSA-N 447.536 0.749 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732416 XRZJVIKGDRWIIP-HBMHQDMWSA-N 449.891 0.078 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833091636 KRPVETLYTOTGSH-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836667994 JLIMTQPVVYJCRQ-PXNSSMCTSA-N 430.977 0.098 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc(Cl)n1 1838228301 NDYRKPHVRYAWDM-FZKQIMNGSA-N 448.303 0.413 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c1OC 1838841968 YHHNKDFRVWRQSM-SFHVURJKSA-N 448.303 0.973 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839151906 IBTYSAVLNYMWRC-ROUUACIJSA-N 448.303 0.799 50 20 ICGD O=C(Cc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199842 WQQFVUZXSCGYAU-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839241092 BBDOGBPNLKDIPC-RDJZCZTQSA-N 447.305 0.716 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839534164 ZJCLIRQIDUJETL-HNAYVOBHSA-N 426.901 0.153 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840155760 DCWHZJAIYLDPKN-VQIMIIECSA-N 426.901 0.119 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840325624 JPVJEZLSFQGEIA-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD CN1CCc2cc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)ccc21 1843757168 GTZGGODHRWAHDA-UHFFFAOYSA-N 434.500 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1846383957 MNSQJJYDXDQUBD-UHFFFAOYSA-N 441.532 0.982 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccccc1O 17575103 UUVQBWFYXSMJRX-UHFFFAOYSA-N 435.458 0.497 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](C)N2C(=O)CCC2=O)c2ccccc2c1=O 727724129 WCHRNAXOQTVXOP-ZDUSSCGKSA-N 427.461 0.885 50 20 ICGD O=C(NNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)c1csc(N2CCOCC2)n1 727764884 STMFBDQJKHNRMY-GOSISDBHSA-N 445.545 0.939 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1)c1cnn[nH]1 729456365 GDMGRSLZHBLNCT-UHFFFAOYSA-N 447.521 0.654 50 20 ICGD CCN(C1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1)S(C)(=O)=O 731358249 KRKGXXBWOXKNKR-UHFFFAOYSA-N 436.332 0.878 50 20 ICGD CCOCCCN1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)[C@@H](C)C1 734684989 CLZRWHSVYLSTEQ-LSDHHAIUSA-N 425.555 0.945 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 738476477 XDIQDISPLGFXHK-UHFFFAOYSA-N 436.476 0.361 50 20 ICGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 743419055 KGTHIUWIABMBHQ-CQSZACIVSA-N 449.581 0.690 50 20 ICGD O=C(O)COc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1Br 743447741 MTQPXYIBTPRUTN-UHFFFAOYSA-N 425.195 0.807 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 745107660 HAQUPWAUVNCZQM-QGZVFWFLSA-N 429.477 0.940 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 746094595 ABCZIOSBOMRRDT-CYBMUJFWSA-N 443.485 0.144 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3cc(C)nn3c2C)cc1OC 746928686 RMXGTLCEWXLLHP-UHFFFAOYSA-N 427.417 0.981 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)NCc1ccco1 749851253 IPYCGHLDDHETJR-UHFFFAOYSA-N 437.297 0.913 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 753034464 JKCGVCGWUOAOPD-GFCCVEGCSA-N 427.383 0.764 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755037134 NNLXXOUOTYBRTP-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(F)c1F 755957229 LVQBZJUHHSHXHI-CQSZACIVSA-N 428.369 0.901 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 756443241 STFCIUHSPJMPFZ-UHFFFAOYSA-N 449.489 0.528 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1 760200078 TUSLKUNURFALGS-UHFFFAOYSA-N 434.474 0.243 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNc3nccc(N4CCOCC4)n3)CC2=O)cc1 762867235 UVGBVQYCVREQIK-MRXNPFEDSA-N 426.477 0.814 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)C(C)(C)c1ccccc1 763044587 OJIVWQMMBYIMJH-CYBMUJFWSA-N 432.502 0.578 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccncc3)cc2)C1 763463868 GWJRSTGOLYSZCN-CQSZACIVSA-N 445.501 0.902 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1OC 763543100 KXVZZPSKTMHGQW-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1Cl 763662446 YMMFOCIXWQFNNI-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763680654 GEWBGHVMEFQTBR-UHFFFAOYSA-N 430.442 0.517 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)cc1 763873334 WBRKABDJEUSDCV-LLVKDONJSA-N 430.392 0.681 50 20 ICGD CC(C)Cc1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)n(C)n1 763943315 FHCMUCCXQWZXTF-UHFFFAOYSA-N 425.449 0.910 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 764041514 VYCXXWWEXLSMFY-UHFFFAOYSA-N 445.863 0.685 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 764086746 VWYPGWZNUBAVGW-CYBMUJFWSA-N 441.554 0.915 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1O 764130200 CWJAVPRXYRUPGA-CHWSQXEVSA-N 443.460 0.809 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 764163463 IYBWHUWYYQCBEJ-CYBMUJFWSA-N 439.396 0.773 50 20 ICGD COC(=O)C1=CC(C(C)(C)C)=S=C1NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 764177230 MJZBWXGVWAXNDR-UHFFFAOYSA-N 428.470 0.630 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)cc21 764183459 YNRDGOGDCVKDOL-UHFFFAOYSA-N 436.428 0.427 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCCC(C)C 764230681 JJAUZXWSYXXLST-CYBMUJFWSA-N 428.511 0.444 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 764360151 TZGGPMJVNQFGAL-UHFFFAOYSA-N 448.505 0.385 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764399867 ACYBGNHPDSFCSR-UHFFFAOYSA-N 432.458 0.855 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767346634 MKDFQKCKINQOBP-UHFFFAOYSA-N 447.513 0.981 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 772965279 WIZFTVPUEJEGOC-VIFPVBQESA-N 434.840 0.563 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 777648215 NWQJRHITFAJLHR-LBPRGKRZSA-N 435.886 0.953 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777933286 MLARHFXYZOAQIY-UHFFFAOYSA-N 438.409 0.824 50 20 ICGD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998606 DUXCSCKJWBDQHI-CQSZACIVSA-N 429.477 0.410 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1=O 785089557 BXPYXXAKJBSHMP-MRXNPFEDSA-N 440.460 0.030 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1 786181598 KRESZDDNCGJZLZ-UHFFFAOYSA-N 445.484 0.734 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)C(C)(C)O)c1 787947811 YEQCGAASVJFRTA-UHFFFAOYSA-N 426.539 0.849 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNc1nc2ccccn2n1 792210139 ULMDHHSSNBRYJB-UHFFFAOYSA-N 447.477 0.907 50 20 ICGD CC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369161 POCQCNSHFSXTKS-UHFFFAOYSA-N 441.444 0.682 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(OC(F)F)cc3)n(C)c2n(C)c1=O 802045384 LJQRJXRRXRUHRU-UHFFFAOYSA-N 436.375 0.644 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 805767408 IQRSSUAOZBAMQN-GFCCVEGCSA-N 440.400 0.224 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)ccc1F 806979119 SNVIZXTWHNMJSH-UHFFFAOYSA-N 447.448 0.475 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1S(N)(=O)=O 808187395 GOFHDTSLULFIJO-UHFFFAOYSA-N 446.283 0.577 50 20 ICGD Cn1nc(SCC(=O)NN=C2COc3ccc(Br)cc32)c(=O)n(C)c1=O 814785325 QBABBAJWFIQVHM-UHFFFAOYSA-N 440.279 0.247 50 20 ICGD Cc1nnc(NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc1O 817280078 YMWMOIRHNGYAEJ-UHFFFAOYSA-N 440.791 0.979 50 20 ICGD CCn1c(NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc2ccccc2c1=O 823887828 RXKAMQOLJNAZND-UHFFFAOYSA-N 426.458 0.710 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 825363563 HCRMQRZTMWRRGP-UHFFFAOYSA-N 432.458 0.648 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc(Cl)c1 845924354 YVRVWMOXNVCJBD-BNBDDXAPSA-N 431.832 0.451 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 912839839 GMDSWXPWBIFXQC-AWEZNQCLSA-N 446.485 0.850 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 912918906 GLGQPIVXTYZLMX-KBPBESRZSA-N 430.502 0.141 50 20 ICGD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 915906066 GQRHMXOUZVBAHX-HNNXBMFYSA-N 431.449 0.412 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1 916268820 WPGVMINGMGBPDX-UHFFFAOYSA-N 442.476 0.912 50 20 ICGD CCc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1 917725261 JVXRZYLBJTUPMT-HXUWFJFHSA-N 446.485 0.936 50 20 ICGD CCOC(=O)c1ncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 1261084218 ZNWPMIJUCFSTJR-UHFFFAOYSA-N 445.501 0.539 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)no1 1779122772 JLROHSWYKSUOGD-QZTJIDSGSA-N 447.319 0.779 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)OC(C)C)C2)C1 1779168279 CTKKPRBFODUEFR-JTKSSWDBSA-N 433.509 0.764 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779418252 UMOCMXNBKRCVQD-PUHYTOTFSA-N 431.917 0.629 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccc(O)cc1 1781261230 DXZCZVXJTLBGND-KSFYIVLOSA-N 432.521 0.699 50 20 ICGD O=C(CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCCC1 1781325290 BACYFUYWPDMJFL-RDJZCZTQSA-N 434.306 0.909 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1783935045 NJOVPWMLXFKMRI-NRFANRHFSA-N 428.493 0.379 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937575 UTLVMTLQTJEBMS-WCYCAPIHSA-N 444.532 0.911 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981837 FRPZIFUFMGGERF-YGRLFVJLSA-N 444.248 0.668 50 20 ICGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1785867296 WEGLAIQVWPINCL-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786982087 LTUHKEYUDVYPTD-WBAXXEDZSA-N 443.696 0.322 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nc[nH]c34)C[C@@H]21)c1cccc(B(O)O)c1 1786984312 BYHWUPOPYVFAIW-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1790964067 RRKHLUORCQRTCK-CYDGBPFRSA-N 437.356 0.957 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288732 RPCKZADDTWLNFX-WDSOQIARSA-N 449.552 0.577 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(C)(C)C)nc1 1792396251 MFMPXQNKYVMYLY-UPHUGPLXSA-N 445.564 0.955 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)C1 1793101311 ISSZVIXUFOZHQV-DGXTUMSLSA-N 443.504 0.526 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795547412 DFCBLJVPQOXDKD-NFUQYWTGSA-N 432.525 0.083 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796283747 WOFYESUUCXWAAU-OQMKEHIESA-N 425.869 0.310 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362647 AFFWDDKDLYWSKI-ZUWCUPBKSA-N 437.896 0.650 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1ON=C(c2ccccc2)O1 1797643144 LSCZAAXSWIUKLD-MRNSRZSKSA-N 437.880 0.565 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2 1797750821 UUOCBHBYFIUBDN-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)[C@@H](F)Br 1799347521 PBKGDBKAKMGCMS-ZHCJQAHYSA-N 440.313 0.981 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800638868 BFVDLNPMZFKKOK-OXIQGZBJSA-N 428.283 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1800977914 HIKMEZGCCPMDJR-QKPAOTATSA-N 445.944 0.697 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)cn1 1806106899 LXFNRWZEFQMNGB-DYESRHJHSA-N 446.272 0.495 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806769193 RYGNUJMLDQLSKN-MAUKXSAKSA-N 427.599 0.984 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1811471629 KWXKAHDDHBLKKU-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD CCc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)co1 1815344150 KWODBMWZQIHZHN-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1815954073 HOZGVTOOCPEYSW-SFHVURJKSA-N 436.281 0.601 50 20 ICGD Cc1ncoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795243 LEZMMGODJUYOSB-JTQLQIEISA-N 441.473 0.978 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c1 1821600512 XQOPLBIXIVSOBV-CQSZACIVSA-N 435.274 0.562 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822711490 LWSBAOGFQZLREG-MGPQQGTHSA-N 444.001 0.945 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1825641997 NDQULRYQEIOZCZ-IUCAKERBSA-N 429.344 0.678 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364458 LQJUOZPBPAAATJ-QRWLVFNGSA-N 439.944 0.998 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720287 WFTYAVDTSSWZMS-KSSFIOAISA-N 448.303 0.413 50 20 ICGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727867 ISWFNRVEKCZQFX-MGPUTAFESA-N 440.880 0.128 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830739099 YNYTUTNYKXDKAB-YWWBLUBBSA-N 429.926 0.521 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831386999 CTWVYVXQMLLJOP-DAYGRLMNSA-N 431.327 0.512 50 20 ICGD CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549095 DVLXHEROPMHIJT-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833319172 ZPLKFNHMJHKGCV-KBXCAEBGSA-N 433.839 0.689 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833523139 ATAKJPAWOLQWQN-CHWSQXEVSA-N 431.375 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833686376 FVVLJRZKTWEFPP-DJJJIMSYSA-N 444.891 0.750 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1)c1ccc(B(O)O)cc1 1834797532 UXHXBVNNDQMAHE-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819061 FCZTWYIBCHGVEQ-OAHLLOKOSA-N 448.343 0.435 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835834665 BOGKXVGFQGSNEI-UHFFFAOYSA-N 447.674 0.844 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1836073014 XRXAYRKINLZFQW-DLBZAZTESA-N 435.308 0.613 50 20 ICGD CCC1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)COC1 1837921602 RRVLBEUGHMEAHX-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838002892 ILELBMIFKMQIQM-UHFFFAOYSA-N 435.529 0.098 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839144883 MWKBNTRMACOADM-YWZLYKJASA-N 439.896 0.956 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155570 XSKBAOWPEJVHTO-SUHLXZCWSA-N 436.336 0.719 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc(O)cc1 1839167307 PKLLRKHGAXTNHE-VHFSOBRXSA-N 426.897 0.552 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839197967 NWSUJLXSCHOPSB-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD O=C(C1CCC(O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202457 GEAYQZLRRCFXGH-TXBNBULBSA-N 437.306 0.684 50 20 ICGD Cc1ccn2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cnc2c1 1839600458 FGAPBSGDSAXDNV-UZLBHIALSA-N 436.896 0.312 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840345081 VQXFBVZCBBHMIE-GMLZYFJESA-N 427.299 0.663 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385704 RTBCJFFBPXDSTM-MAUKXSAKSA-N 443.342 0.903 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011990 RLMWLSGZRAGOBW-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc(C)c1C(=O)O 1843012246 SKGYRGORTPQBHJ-UHFFFAOYSA-N 436.273 0.812 50 20 ICGD Cc1ccn2c(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)cnc2c1 1845695853 PDAWLSWNRLGOMS-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846342019 PNIQZXOHWPJNBG-CVEARBPZSA-N 441.488 0.258 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725741959 WQLHVDUEYLXJAS-NSHDSACASA-N 440.503 0.001 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 726541019 PTLBPDXBYKGMFS-CQSZACIVSA-N 440.909 0.673 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cncc(O)c1 732257408 NENZRGCVSNMTGS-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 741216905 ZHCHNJZFEDWASW-HNNXBMFYSA-N 429.518 0.504 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(C)c1 741282983 DPNGWFBXBQZIDX-UHFFFAOYSA-N 433.509 0.942 50 20 ICGD Cn1nc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc2c1=O 744619740 WSXOMDBZPRDSGD-UHFFFAOYSA-N 443.485 0.711 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(Cl)c1OCC(N)=O 746549882 IKYKBDNWAMUJPI-UHFFFAOYSA-N 431.836 0.864 50 20 ICGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 748830360 CBWHTZIWHAOJLZ-UHFFFAOYSA-N 445.545 0.448 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)COc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 749732373 SISBXLLNSCYCIW-UHFFFAOYSA-N 429.458 0.873 50 20 ICGD COCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 751289195 AUGQUHDKTDCFHF-UHFFFAOYSA-N 436.490 0.822 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1)OCO2 753840697 MCEUMPONPWCNPD-UHFFFAOYSA-N 433.348 0.506 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1S(=O)(=O)N1CCOCC1 755414576 YWYMDQRKLPNSCX-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756032238 QWSLGWZSLGTIPK-ACIHENLCSA-N 441.510 0.704 50 20 ICGD COC(=O)c1ccc(NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 757174440 SOBVAXGJJHMALW-LBPRGKRZSA-N 438.462 0.090 50 20 ICGD NC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nn1 757393513 ZJDULHJHVUJSMZ-UHFFFAOYSA-N 448.383 0.286 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 761525953 SMYHLGURDKHICJ-CQSZACIVSA-N 435.433 0.574 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)[C@@H](C)OC)c(=O)n2Cc1ccccc1 763140539 RIJMXJCLUPBFSY-OAHLLOKOSA-N 426.477 0.955 50 20 ICGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763531783 RGHZKBGACIYSRI-UHFFFAOYSA-N 427.509 0.281 50 20 ICGD CCCn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763532402 ZVDXWAWDNPOBIZ-UHFFFAOYSA-N 427.509 0.591 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 763573831 UWLOONCZXYFADT-KRWDZBQOSA-N 447.411 0.124 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763658704 AFMMVNUNLNASES-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718737 MBJLQBVIENGFBC-UHFFFAOYSA-N 447.517 0.711 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)c2ccccc2c1=O 763785067 CSRMXAQCXIMLRF-UHFFFAOYSA-N 439.476 0.748 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1NS(C)(=O)=O 763808502 XGMRZHMYGFRIRI-UHFFFAOYSA-N 445.457 0.403 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 763878393 PXKICHBTLACTDX-GFCCVEGCSA-N 440.412 0.774 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 763998596 QILWIYKSQMAQJD-AWEZNQCLSA-N 449.460 0.925 50 20 ICGD CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764003153 ZXVZXHFSQOOBLE-MRXNPFEDSA-N 447.517 0.575 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cccc1S(=O)(=O)NC(C)(C)C 764355910 LUBSRLCXXJEQBX-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)o1 764367982 QKKFLJOXSLIBNS-UHFFFAOYSA-N 427.461 0.304 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764387538 VNXXKFMFZLTGEN-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)cc1 764558008 FFHBFFIDXVJARZ-KBPBESRZSA-N 428.507 0.982 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNc1nc2ccccc2c(=O)n1C 765537330 CTXKIMOSDKAUOF-LBPRGKRZSA-N 426.458 0.615 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)CC2 768233867 OOIFLWSQVYPWLZ-UHFFFAOYSA-N 427.373 0.888 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cc(C)[nH]n2)o1 768279588 ZUDMCXNRDDUXOD-LBPRGKRZSA-N 439.450 0.102 50 20 ICGD COCCn1nc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)ccc1=O 768279790 STFYFIKUZUOUKN-UHFFFAOYSA-N 442.432 0.372 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768504012 CWYNQMWAQLTXQM-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 770397105 MRYPKZAKHPGTAP-AWEZNQCLSA-N 425.497 0.906 50 20 ICGD COC(=O)c1c(F)cccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771607734 QUPHGYQUHBLWGG-UHFFFAOYSA-N 443.840 0.892 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 772041065 GNVBAYPLYLFYTE-GJZGRUSLSA-N 425.507 0.885 50 20 ICGD CS[C@@H](C)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 773313654 YRLZELQFIZFQHM-INIZCTEOSA-N 442.607 0.980 50 20 ICGD CN1CCN(C(=O)NNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 773674688 UNGOUZKSOPDDLG-UHFFFAOYSA-N 447.355 0.990 50 20 ICGD N#CCc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776731701 ZYSLGFGXRKRYFE-UHFFFAOYSA-N 442.497 0.777 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 778292699 LNWLNYNHPRSCIW-UHFFFAOYSA-N 445.505 0.683 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cc3ccc4c(c3)NC(=O)C4)CC2)cc1 784683392 AQNJMBVQHQARET-UHFFFAOYSA-N 435.528 0.997 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)n1 784846362 QXRPTGDZRJFVCI-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 787548274 CCJHFVYWADSELC-SECBINFHSA-N 429.886 0.939 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 792732163 AJDCVJPHTCRURY-OAHLLOKOSA-N 429.477 0.820 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCc2nncn2C1 793448432 SLYAMPQDSCJSRB-QMMMGPOBSA-N 434.356 0.777 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(O)c1 794062839 CAKYTFKZJYFGMH-UHFFFAOYSA-N 428.445 0.894 50 20 ICGD CCOC(=O)c1cc2cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2s1 794588000 TUQCVCKRKHHEQY-VIFPVBQESA-N 449.532 0.325 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccncc2)(S(C)(=O)=O)CC1 794715637 NYUQTJITKYWXCT-UHFFFAOYSA-N 426.495 0.657 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)CCc1ccccc1 799912518 WRFABODKBJKSBM-UHFFFAOYSA-N 438.531 0.466 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3ccc[nH]3)ccc2F)CC1 801111299 JRHGRSRRYZKGEA-UHFFFAOYSA-N 437.453 0.081 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)n1 806974533 CZHSYICHPOEFCU-UHFFFAOYSA-N 436.419 0.401 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 807368482 HHHAXOGEZUBBIS-UHFFFAOYSA-N 432.455 0.152 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 812732443 HCGLQTCILZGGMJ-LJQANCHMSA-N 431.474 0.748 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(Br)cc1F 815691964 GRSDWQZLIOODKI-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)C(F)(F)F 815692566 UYCINVOWKNXYHN-WDEREUQCSA-N 440.382 0.956 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1324289298 FHFOBYKRYSENLJ-UHFFFAOYSA-N 438.531 0.830 50 20 ICGD CC1=CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779031952 HZHBFQFPGQIHAI-AOMKIAJQSA-N 427.505 0.875 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779386964 DZQKGYJHFCTDTE-NXEZDXNNSA-N 425.917 0.391 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783877133 GINLDCYVOTXNNM-WXVIEYATSA-N 439.896 0.536 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935375 OFRDRIWINCMKGQ-JOCHJYFZSA-N 432.521 0.902 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1783937790 XPKFBFBNVFFHOR-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510456 KYSCPXGTIQSSNG-FADKWITMSA-N 440.880 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785682571 KDYQNEVPRBYKHH-QHCPKHFHSA-N 428.533 0.604 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1788114680 JQIOPDLUYXZAJE-TUUVXOQKSA-N 445.944 0.433 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789920999 PALIKJGEZVSYRI-FTYOSLGDSA-N 436.307 0.864 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1791056138 OSZJINQMQZPHOS-QTVXIADOSA-N 428.331 0.677 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1795260659 RIFYRVVABJBJBU-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C2 1796439698 XPIDIAQUSSQAOX-DOTLBGKQSA-N 433.509 0.117 50 20 ICGD Cn1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn1 1798439157 JULMMBBJMWCNDA-MUJYYYPQSA-N 425.493 0.303 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2)[C@@H](F)Br 1799348184 BWHFJXVRDGXKOH-LYIQGSDWSA-N 431.262 0.559 50 20 ICGD CSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011804 GJXAEKDCGDHEOI-ZSBFGKGUSA-N 435.550 0.380 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802846779 BRMBXGHVAPIMFP-PYIOCPRISA-N 425.917 0.349 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803914112 YCLKPNMLANLROE-QMTMVMCOSA-N 434.880 0.002 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804425228 NJXRQVXFPDNCNO-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807469211 QXQDFESAKDIWDB-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H](O)c3ccco3)CC2)C1 1809967228 BCIYNJSCAIYDJA-LJQANCHMSA-N 426.278 0.538 50 20 ICGD O=C(O)CSCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980224 NSWDVTITGPHYOJ-UHFFFAOYSA-N 434.323 0.029 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812403584 FIBOKYFNQCJLSH-DENIHFKCSA-N 447.304 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2(F)CC2)[C@@H]1c1cccnc1 1812458224 DIXDVPRRAWSUPR-PBHICJAKSA-N 426.452 0.902 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067752 BVTGICJMKFNLKB-LDBYXDLTSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)C(C)(C)C)[C@H]1c1cccnc1 1813067806 DUMAWTONQUEUKF-FFZOFVMBSA-N 433.553 0.867 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067886 HEUVXWPKORUQRM-AVRDEDQJSA-N 446.552 0.329 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1c1cccnc1 1813068584 OFWDOWLRMOGUAH-XQBPLPMBSA-N 444.580 0.945 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813600075 UMFDPUOENQQBBW-SIKLNZKXSA-N 438.337 0.421 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475431 QXGFCFNTMVNTCB-KRWDZBQOSA-N 427.314 0.784 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)c1cccc(B(O)O)c1 1817479337 KYDKOZXRBXXJRI-KRWDZBQOSA-N 426.282 0.701 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404494 NUMWNQHKILFCPV-HIFRSBDPSA-N 449.899 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cccn1)CC2 1819797686 XNZNPRDPQIRZSA-NSHDSACASA-N 440.489 0.264 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716675 QBRRSTDYQJEYOE-PWSUYJOCSA-N 429.861 0.199 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1822369781 RNCRGOBMIPBHLQ-GWCFXTLKSA-N 448.871 0.700 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822370523 NUAJAZONIDPERO-DXCKQFNASA-N 429.905 0.306 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825636078 QZVUBYROUVCMDM-HTQZYQBOSA-N 444.311 0.390 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827251208 FOUNGGPBNOSZOE-OAHLLOKOSA-N 430.339 0.389 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830532928 BBOFEIWWNDZMHO-DHSIGJKJSA-N 448.358 0.389 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1830533719 SSNWXXVYAICRPB-HBUWYVDXSA-N 446.342 0.000 50 20 ICGD COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719945 PHCJQJAEXFUQMT-PXNSSMCTSA-N 442.896 0.130 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727881 JAIAYFXLMDQZSQ-UWJYYQICSA-N 449.891 0.610 50 20 ICGD Cc1ccn2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2c1 1830736112 RLGOTIGPEVARQD-JXFKEZNVSA-N 436.896 0.312 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831609313 NLPPRAZHGGLKKC-IIYDPXPESA-N 434.331 0.128 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1831870336 XBVRATSYSVMNNH-QZTJIDSGSA-N 435.569 0.505 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278490 LIFFDIWSXZKCND-MAUKXSAKSA-N 442.310 0.564 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc4ncnn4c3)CC2)CC1)[C@@H](O)CCl 1833309855 BNRLXNLWOJZACO-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833312304 PNOKZDFHWGKPEK-MRXNPFEDSA-N 429.945 0.501 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833522558 TUHXOCUORVVGNM-XHDPSFHLSA-N 435.338 0.760 50 20 ICGD CC(F)(F)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834640875 RKBJHFIFNKEGCW-UHFFFAOYSA-N 438.479 0.526 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819472 SUEPPLSHDXXMON-QGZVFWFLSA-N 447.305 0.723 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823149 LGPNZGGPCDMINF-KBXCAEBGSA-N 448.358 0.533 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835761513 TUXIRWHEWGIDLX-RXVVDRJESA-N 445.004 0.616 50 20 ICGD Nc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)sc2nccnc12 1835877817 LBIZCNVPEIUOSU-CXAGYDPISA-N 443.888 0.878 50 20 ICGD CC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836666314 UMICNJJGWMWSFO-GOSISDBHSA-N 433.509 0.068 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838009837 VWUGDACOARQXSB-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838466697 MZQHMHCNJMDKBP-RXVVDRJESA-N 448.907 0.954 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100088 HGOBOMHKNGDUMZ-LQWHRVPQSA-N 445.004 0.486 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373561 MSNKNXSYZHLKSX-DJJJIMSYSA-N 444.868 0.127 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839518759 DNDMHLZMRWYNBI-QGZVFWFLSA-N 433.292 0.539 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839901258 SXGGFLFQKIAONJ-JPYJTQIMSA-N 446.353 0.653 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840030969 BMOWQDDSFMSRPG-CXAGYDPISA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1840151748 MXUMMHWOAZNQBR-PXNSSMCTSA-N 444.887 0.915 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1)NC(=O)NCc1ccccc1 1841306170 NHMVHDHPPJLSON-UHFFFAOYSA-N 427.505 0.515 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842241481 ZUMLHSQGYRTVGS-CQSZACIVSA-N 429.926 0.697 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1[nH]nc3ccncc13)C2 1843415878 XHSLVPNJIGDBIR-ZMOGYAJESA-N 434.460 0.909 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846069067 DWURCMIZPXWOTD-ZDUSSCGKSA-N 436.372 0.094 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846365641 JYIUGYRGCCWJQA-OLZOCXBDSA-N 446.932 0.212 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc2c1=O 14044480 BEKMMNMIYLMINW-UHFFFAOYSA-N 441.469 0.548 50 20 ICGD Cn1nc(C(=O)NNC(=O)COc2cccc(N3CCCC3=O)c2)c2ccccc2c1=O 15721160 BPJWRJIEPBDSFZ-UHFFFAOYSA-N 435.440 0.900 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 726165133 ZEVALQHAHSKABU-ZIAGYGMSSA-N 428.511 0.129 50 20 ICGD O=C(NNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)N[C@@H]1CCS(=O)(=O)C1 731342933 GTIYBRSKGPXDST-LLVKDONJSA-N 438.487 0.712 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 733249235 FSMBYYNRXUPNIL-UHFFFAOYSA-N 446.551 0.004 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1C 734684898 BAQJBWBUIKDXTL-RBUKOAKNSA-N 433.553 0.808 50 20 ICGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117099 NSMWEUWPMYVNFR-OAHLLOKOSA-N 444.517 0.800 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 738472901 UUNCCPFWOHIRJS-UHFFFAOYSA-N 441.492 0.498 50 20 ICGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)cc1 743263519 GGVOBRZAUCZFNU-UHFFFAOYSA-N 434.293 0.720 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 750659642 JEWACBLWVKYGKP-CYBMUJFWSA-N 425.511 0.280 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)N[C@H](C)C2CC2)cc1OC 751620959 MPVPZKNKNJDWBV-LLVKDONJSA-N 430.552 0.666 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3ccc(Cl)s3)nc21 752688563 JMWWQZLRQREGLL-UHFFFAOYSA-N 446.902 0.388 50 20 ICGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753947324 CCNMUMOZTBZVNE-GOEBONIOSA-N 440.522 0.609 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)n2nnnc2C(C)(C)C)cc1OC 754974520 MQSKVVSLDPZCDF-LLVKDONJSA-N 434.453 0.553 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cnn(-c2ccccc2)c1 755167593 UPXVJCKELBSKKB-USJZOSNVSA-N 434.456 0.623 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)ccc1-n1cccn1 756491331 ZSBJPHUAXWVMFO-VIFPVBQESA-N 445.299 0.725 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccn(CC(F)F)n2)cc1 756868451 UFXMHBBKRXCKAQ-UHFFFAOYSA-N 430.437 0.930 50 20 ICGD Cn1ccnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 757908881 VFYZDTBIZQUXKI-UHFFFAOYSA-N 434.478 0.421 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNc3nc(O)c4ccccc4n3)cc2S1(=O)=O 758310352 AVMRIIXEDQOHGG-UHFFFAOYSA-N 443.441 0.883 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 761628554 XQPUNLYBKIVFKC-XHSVMWQWSA-N 433.486 0.487 50 20 ICGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 763573819 UPVSXPRUVBCWJE-INIZCTEOSA-N 425.401 0.759 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763680638 GCYUEXYYUWESJM-UHFFFAOYSA-N 425.401 0.690 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cn2)C[C@@H](C)O1 763682058 WAHBHCXKNYSJFF-ZIAGYGMSSA-N 445.451 0.999 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3cccnc23)c1 763718912 SDPFNFSCNCJSQK-UHFFFAOYSA-N 441.469 0.885 50 20 ICGD C[C@H]1CN(Cc2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2)C[C@H](C)O1 763821152 SXKGTEPYXPCFNJ-HOTGVXAUSA-N 425.489 0.882 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(CCN2CCCC2)c1 763917160 QERRRQYKHLJLFQ-UHFFFAOYSA-N 448.487 0.700 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764037581 OXIBSIVLERJXNL-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br 764084034 DAYZHQFGQJCKGC-UHFFFAOYSA-N 425.218 0.844 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F 764276906 DZXYVOYUXSTPDS-UHFFFAOYSA-N 427.392 0.941 50 20 ICGD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435464 VROZBWIEIRVNFL-KRWDZBQOSA-N 432.477 0.559 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc(F)cc1Br 766810160 OKYRBGGJJXFZGJ-UHFFFAOYSA-N 447.261 0.990 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1CCN(c2ccccn2)CC1 767348014 GOJHCHAVKZAZAZ-UHFFFAOYSA-N 425.489 0.445 50 20 ICGD COc1ccc(NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 768328617 HXNAYESYWXKCNO-UHFFFAOYSA-N 429.437 0.966 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 772187140 RXZMYOKGNYOWCO-WFASDCNBSA-N 431.449 0.025 50 20 ICGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 779472941 ABWXMTXDUAOSAZ-KSSFIOAISA-N 448.483 0.971 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 781920114 KYPPAXMMZQOEEZ-MRVPVSSYSA-N 438.412 0.658 50 20 ICGD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 782125144 WGTATCUXJSPYCJ-UHFFFAOYSA-N 444.492 0.834 50 20 ICGD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@@H](C)O1 784002146 KESSWHNYNFIQSF-ZIAGYGMSSA-N 443.460 0.409 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 784003477 GVTQAMZNLIQYCT-CQSZACIVSA-N 432.458 0.432 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 784916004 LWOGRYZTGFUOGZ-KBPBESRZSA-N 439.538 0.984 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)ccc2[nH]1 792355162 QRRSJBWPBRCCRH-UHFFFAOYSA-N 434.412 0.564 50 20 ICGD NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 792864476 GRUQFLUOFMJCIE-UHFFFAOYSA-N 435.462 0.091 50 20 ICGD CC[C@](C)(OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 795180321 WTJRLJXSVVGFJE-IBGZPJMESA-N 426.539 0.264 50 20 ICGD COc1coc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1=O 798980600 VGDLCDHAINGUJC-UHFFFAOYSA-N 434.880 0.881 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 805766660 AXHNLMWRSOJBRZ-LBPRGKRZSA-N 425.433 0.519 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nc(C2CCOCC2)cs1 806972756 KGFZVONJRQSYFA-HNNXBMFYSA-N 432.458 0.963 50 20 ICGD CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 808258061 VGIPCBJJHGZUSV-CYBMUJFWSA-N 443.526 0.132 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 811835765 NQRJAJLAWIBCMS-UHFFFAOYSA-N 441.487 0.291 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cc1 864019896 CLVFHSHIHBDMAF-UHFFFAOYSA-N 437.449 0.923 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 918358382 XLSXFXUKOGPDLH-UHFFFAOYSA-N 425.850 0.988 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)COc1ccccc1OC 1251730091 HUGKOESHWUPDCL-OAHLLOKOSA-N 425.449 0.510 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1n[nH]c2c1CCCC2 1253146884 HHVQDHQCTIAZHJ-UHFFFAOYSA-N 425.493 0.574 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1320073078 YFBCUOKEAUBYKK-KSSFIOAISA-N 425.511 0.825 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(C(=O)C3CC3)CC2)c1 1321725320 QIWFLMJJLGBFGU-UHFFFAOYSA-N 437.522 0.282 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1779030691 UPXANUJYRWDGSF-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330453 XOSGOXYABLCRDG-BBRMVZONSA-N 426.246 0.863 50 20 ICGD COc1ccc([C@@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1783765187 GQFYUBOAVFHLIN-PEJOBZMASA-N 426.897 0.308 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)Cc3ccccc3)C[C@@H]21)C(O)O 1783871468 LODUIWCWDSYCSV-JONQDZQNSA-N 441.322 0.283 50 20 ICGD C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783900921 JOOYXKSEFHGULA-IERDGZPVSA-N 449.577 0.481 50 20 ICGD Cc1cc(C)n(CCC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1784321696 LHHJVCAVBSAJOT-NRFANRHFSA-N 434.541 0.093 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1784520468 RJKIUACTRLTKMH-PYXYIPKBSA-N 443.393 0.883 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cc(O)ncn3)CCC2)cc1)c1ccc(B(O)O)cc1 1788140573 YYNNGAJTGKCSSL-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789872957 MGRMXGWXWQHFGP-LNINBKOHSA-N 439.336 0.818 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(O)c(O)c(Cl)c1 1790243222 WRNMQLVMOJFQAR-YIVQXAGMSA-N 433.288 0.944 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1792867845 MVMSZVMMSYJNDS-JFILPPLUSA-N 442.310 0.630 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)C1 1795113244 PYRZSWRSUPWWHO-YMSVYLFOSA-N 431.327 0.950 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ncsc1Br 1796492800 OJTOZSBYJOOAHE-JXUBOQSCSA-N 438.731 0.709 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2ncoc2c1 1797072021 DPGPPEYWOXTNJR-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCCn1cccc1 1797884061 RXYQNSOYEPKPNL-OPMZPASUSA-N 433.553 0.621 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799152514 DNVWIIUOZSTJII-KNJYOJCESA-N 442.354 0.760 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804340606 DUWRDXGQWOUUNH-FMKPAKJESA-N 435.912 0.951 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361804 XSFTWIBWRNXSLU-KNQAVFIVSA-N 436.321 0.177 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369533 MXUHIBDPQSQZNV-WIYYLYMNSA-N 430.273 0.790 50 20 ICGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812387564 OVBQQCMXWKREBB-GDBMZVCRSA-N 438.912 0.895 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)c1ccco1)CC2)c1ccc(B(O)O)cc1 1815335549 DYNFBBTYJNTPHC-CXAGYDPISA-N 441.274 0.375 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474226 BBTNIIIUAXCBEN-IRWQIABSSA-N 427.314 0.769 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1ccnc1 1817474606 VYFWZJNHHMKKAA-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)c1 1817648112 MEAUXWNVGPVWEE-INIZCTEOSA-N 430.513 0.980 50 20 ICGD O=C(CCn1ccnn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822809768 OMEKHDNHWBQOEQ-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD CC(C)N(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822992159 JBHLBFHNBRQKHZ-SFHVURJKSA-N 427.314 0.736 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CCC1)CCO2 1829681337 QXWCVPBBMMKJAG-ZHNJOBQTSA-N 445.520 0.767 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736070 REKRYSHITUGSHU-KUHUBIRLSA-N 440.859 0.372 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830966568 BNRVTWFLNSASRR-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1831175071 WLSFMJRKYVGXHE-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831649162 QITLGUUGRSPPEI-TZMCWYRMSA-N 443.342 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC(=N)N)CC1 1831871007 KIMKMHZKZJZEOC-OAHLLOKOSA-N 426.587 0.606 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831896996 XNNFLHDMCWTOSH-OLZOCXBDSA-N 427.851 0.884 50 20 ICGD C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833475543 FNTACWBFVRRWDE-KRWDZBQOSA-N 443.353 0.143 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821605 PKDZCVHDHSLQHP-OAHLLOKOSA-N 433.328 0.702 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1835736919 KGZWZGLMKAYGRL-LJQANCHMSA-N 444.536 0.049 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3(F)CC3)CC2)CC1 1835738224 NDUACVOZEHFCQL-UHFFFAOYSA-N 432.500 0.372 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cscn3)CC2)CC1 1837491040 ASFGLIHFOAFXFO-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc(Cl)n1 1838228300 NDYRKPHVRYAWDM-ACJLOTCBSA-N 448.303 0.413 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152977 PENUASUKOUSKGW-YJRQDOMCSA-N 443.393 0.838 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839963502 MKMCOOJWJZUYJY-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839964231 KLZKOIHYPUWYEV-QAPCUYQASA-N 443.342 0.821 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970114 FSTRFAUMYXKGPB-FOIQADDNSA-N 444.887 0.915 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840064342 GQZDVSIRGPSXBV-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840153816 ZSMYYTGCRCAZAF-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](Cl)COC)CCO3)C2)CC1 1840155914 JVRVTIYANCZLBW-KDOFPFPSSA-N 432.901 0.040 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1840156711 XUFISWKEUUVVNS-FXAWDEMLSA-N 442.944 0.682 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc3ncccn3n1)C2 1843416264 QBXRONZKEGHXMT-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD CCOC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1845514970 DHHYSCJNDCRMSC-UHFFFAOYSA-N 436.273 0.674 50 20 ICGD COc1ccc2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cccc(B(O)O)c3)c[nH]c2c1 1847594141 YBOPKLVQZBAXFQ-VXKWHMMOSA-N 447.300 0.914 50 20 ICGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)c3c(C)nc4ccccn34)CC2)no1 10258356 NDTXWLZAVOISTL-UHFFFAOYSA-N 440.464 0.550 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NNC(=O)c2ccccc2)CC1 17523419 HRDRDAFLLZOIAC-UHFFFAOYSA-N 435.506 0.449 50 20 ICGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)CNC(=O)c1cccs1 725902454 NBZOFXMFMYPUIB-XFXZXTDPSA-N 436.515 0.606 50 20 ICGD C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215431 FEHYEZNWLAYETB-HNNXBMFYSA-N 437.566 0.761 50 20 ICGD COCCn1cc(S(=O)(=O)NNC(=O)c2ccc(OC)c(Br)c2)cn1 747791852 ZMJGKPRWHPNNEM-UHFFFAOYSA-N 433.284 0.924 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2=O)c1 747952554 BIQLYSWYLLYFJI-CRAIPNDOSA-N 426.495 0.190 50 20 ICGD CC(C)N1CCC(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 749461332 VPDSFKXRZQZEOR-UHFFFAOYSA-N 432.525 0.846 50 20 ICGD COC(=O)c1nc(Cl)ccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 749845710 BDHKMNACAYBLPF-UHFFFAOYSA-N 427.822 0.916 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)n1 750719171 MVHZIKRHNPUYER-UHFFFAOYSA-N 437.507 0.557 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 751267037 ARPJJOKDOJWLNK-VIFPVBQESA-N 433.895 0.641 50 20 ICGD N#Cc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 754261366 WFKFUZGNDVUAQR-SNVBAGLBSA-N 437.297 0.000 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 755367632 QGZJVCRAWXHDHG-UHFFFAOYSA-N 430.450 0.379 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)co1 755383698 BYKKIRCABRDDKM-UHFFFAOYSA-N 435.506 0.161 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cc(-c4ccccc4)on3)cnc2n(C)c1=O 755846362 KOWBKGGZJRVNSN-UHFFFAOYSA-N 435.400 0.754 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccnc2-n2cncn2)c1 756293264 ZJKBEDIVSWDXQB-UHFFFAOYSA-N 430.450 0.379 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 756757403 BBOSIOLKSFNCHU-ZDUSSCGKSA-N 439.494 0.947 50 20 ICGD Cc1ccc(C(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2)cc1 758047176 VXQGJIAOMBHYFY-YJBOKZPZSA-N 446.529 0.941 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1cc(F)ccc1Br 759554263 HSKWEUFNDCOJTN-UHFFFAOYSA-N 440.295 0.365 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCSC1 763272022 BLMGMJFGHVMJFM-HNNXBMFYSA-N 426.564 0.669 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 763456412 XSDSAHJCSORHEG-UHFFFAOYSA-N 433.469 0.923 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 763466138 GXFDLECBIGWTMY-UHFFFAOYSA-N 426.433 0.746 50 20 ICGD CCn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763572929 VWJZSVKKHYGJAD-KRWDZBQOSA-N 436.428 0.891 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763682775 WCUJEQDKJSWBRO-UHFFFAOYSA-N 440.412 0.476 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c2ccccc2O1 763918142 BCEYLLUXSUZSTK-GOSISDBHSA-N 442.447 0.836 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)c1O 764130541 JVNXZOCFGJBNMM-UHFFFAOYSA-N 428.401 0.753 50 20 ICGD CC[C@@H](Sc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638852 JUIZMSHOTVPULE-CYBMUJFWSA-N 430.490 0.152 50 20 ICGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 767431411 PHBGWLXBFHNPNJ-LBPRGKRZSA-N 433.465 0.624 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1ncccn1 768234654 XNDSRZBDTNDAJH-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1OC 768637332 DUPJQAFNOIFBDK-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 773070857 TYTOAHWBXGSRRD-QGZVFWFLSA-N 435.956 0.864 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 777841761 LSXBAWFGTGPSMH-UHFFFAOYSA-N 437.430 0.197 50 20 ICGD Nc1cnc(Br)cc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 782358480 ZRBBXRSGLXDZRJ-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782703118 WUTIJXMCRPQZHD-SECBINFHSA-N 442.906 0.984 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(Cl)nc3)cn2)C[C@@H](C)O1 784870449 SVQLDJWTRJPDRJ-VXGBXAGGSA-N 435.872 0.649 50 20 ICGD N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 785248931 IYZPDWUGKPRSDC-SDNWHVSQSA-N 432.433 0.958 50 20 ICGD Cc1csc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1I 786823030 JZBOKXRNSSHMMI-ZETCQYMHSA-N 443.288 0.792 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 787540705 DJHDKNJITPJBCI-UHFFFAOYSA-N 436.428 0.561 50 20 ICGD NC(=O)c1ccc(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 792608003 ZSNSPRPLYIJHNV-UHFFFAOYSA-N 443.935 0.947 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccccc1 793024450 DZSFJDQJHKNNRD-QGZVFWFLSA-N 439.472 0.524 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)c1ccc2c(c1)OCCO2 794415310 SRLWUHZFWUKTED-UHFFFAOYSA-N 427.385 0.476 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(C)n2)cc1 795666998 ULVHYNJHQYTQON-UHFFFAOYSA-N 447.517 0.612 50 20 ICGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1Cl 797369034 MPPXODQVWYQEBX-UHFFFAOYSA-N 447.835 0.451 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(Br)c1 799533736 AWYXWGVXBIOIEQ-UHFFFAOYSA-N 448.320 0.981 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)nnn1CCOc1ccc(F)cc1 799927234 VCGIIZSOELAUMC-UHFFFAOYSA-N 430.396 0.589 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 800748809 NIDGVMIRMRMFOC-VXGBXAGGSA-N 429.455 0.022 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 802937675 BQLJZJTUVDNSQC-UHFFFAOYSA-N 429.499 0.293 50 20 ICGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 805158343 PGVNQLWNDFIKSS-UHFFFAOYSA-N 441.506 0.448 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1cc(Cl)ccc1O)C(F)(F)F 806567593 HYAFQWAMHCBJSR-SNVBAGLBSA-N 432.808 0.812 50 20 ICGD CS(=O)(=O)NCC(=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 814965940 RXOYFKXOEQLZEC-UHFFFAOYSA-N 425.492 0.409 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 817054707 VCMKCFLIDNJEBA-HXUWFJFHSA-N 432.502 0.787 50 20 ICGD CN(C)C(=O)CCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 916623913 DDADHABKTMKJSG-UHFFFAOYSA-N 439.519 0.971 50 20 ICGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)ccc1Br 916758807 NGGWMWPOSCXZBY-LBPRGKRZSA-N 437.294 0.880 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2O)c1 917758120 PYGWUXRCOGAGAQ-UHFFFAOYSA-N 433.895 0.919 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 919686684 DGYMHWPWFBEFTM-UHFFFAOYSA-N 441.487 0.302 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCC(=O)N(C)C)cc1 920852706 XXJZFBAYFKEZRZ-VBKFSLOCSA-N 438.488 0.936 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c2ccccc2c1=O 921300855 DXBJTJKUZXNXSD-JKIFEVAISA-N 444.517 0.420 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c2ccccc2c1=O 1116070681 YMLZPQNCENROOP-OAHLLOKOSA-N 428.493 0.521 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1321911279 ZMDLJSPVXOATCD-GJZGRUSLSA-N 436.509 0.956 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1779034985 YTRJHOFNNRUBRY-IVZQSRNASA-N 438.488 0.327 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779411648 PIWJVVIMPDOTKN-XNFNUYLZSA-N 431.961 0.558 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780120351 ZLKWMOMYAPNFPD-RVZJWNSFSA-N 441.326 0.928 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781835752 LDRLOAKECSVIHU-OXQOHEQNSA-N 433.977 0.052 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782176039 VOYUTNMPBDASEM-NXEZDXNNSA-N 432.949 0.462 50 20 ICGD Cc1cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2[nH]1 1782537793 ZGVGCGGQUMXDJC-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1783877593 LASSBCUBLMAVKN-ORAYPTAESA-N 426.901 0.622 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@H]3C3CC3)[C@H]2C1 1783941866 VCYDBMLBAYSHRE-KWFCSAJOSA-N 427.505 0.325 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]21)[C@H](O)CCl 1784089829 JXQRSSSTTQVCEY-OWLYRPNTSA-N 433.896 0.460 50 20 ICGD O=C1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)CN1 1785898862 ODGWBRFJVIXEME-INIZCTEOSA-N 435.289 0.640 50 20 ICGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788609946 FQIZLEDMGIIEBA-VDGAXYAQSA-N 437.500 0.901 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@@H]21 1788611484 DSJKSALDNQXXRW-JVPBZIDWSA-N 441.488 0.504 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1790694385 MQPKDHBYCFADOJ-MJKMTRRRSA-N 446.458 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C[C@@H]21 1791289081 IXCIIKZCIZGWEL-YRPNKDGESA-N 445.564 0.082 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C[C@@H]21 1791290685 KRWLNTBRYDHBHW-MPGHIAIKSA-N 438.475 0.931 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791292434 DDGRYJMQNDVDEG-BJDJZHNGSA-N 430.354 0.098 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793453782 XBCLRWQGHVRBSS-UMPJEAMMSA-N 440.884 0.754 50 20 ICGD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cc1F 1794675830 XVCUUJZFKWJQDY-BTTYYORXSA-N 442.451 0.793 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCc1ccccc1 1795426199 RBOODMLRWYLDOA-OPMZPASUSA-N 432.521 0.166 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1804621698 OHBNZTRDCXANEF-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359226 GHPQBFNXUWVBLR-MEGFKASBSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810827371 YCSOIUSEQCSAOW-DYESRHJHSA-N 449.272 0.480 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812315394 ZROZVHYSIXGBLZ-MMOPVJDHSA-N 432.569 0.801 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813437303 WCZMWQMTOBQIOB-DYESRHJHSA-N 442.524 0.142 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](Cl)COC)[nH]n1 1815168043 MHAPMFBPAOCICC-YRGRVCCFSA-N 449.961 0.983 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349987 BSIHKYRMCXZTHX-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD CC1=C(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCO1 1815879773 OWDWWCKMBASWTG-CQSZACIVSA-N 427.291 0.743 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903923 GMHGNXCAFPJIKT-TZMCWYRMSA-N 443.342 0.941 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1827060245 CLVOGBFNIFYSIT-UZLBHIALSA-N 439.325 0.452 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)[nH]1 1830534557 BODUOQUVOZJEEU-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832559406 PSKRLFRQQMZRAY-DOTOQJQBSA-N 448.289 0.981 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)no1 1832920914 HAEFZMCRUCWWIY-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1)C(=O)O 1833214407 ZGGWISYESZVQBO-MRXNPFEDSA-N 430.977 0.886 50 20 ICGD CC(C)(C)OC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833607157 GCTDBZUXGYFABX-MRXNPFEDSA-N 431.961 0.890 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834819694 YNAIMQHFPVXESR-KRWDZBQOSA-N 443.298 0.467 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837798 PAPKFHNESYNDHS-UHFFFAOYSA-N 428.606 0.766 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837808719 VKIBVEDFQIRAOL-APPDUMDISA-N 429.315 0.880 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083945 MJZVMHKYBKMOQU-MXTNKPTQSA-N 441.956 0.861 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149953 XDPZLSIQAKNWNY-LSLCWXNRSA-N 448.347 0.538 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198017 PYXSUTKZJSAIDD-BVWQNDCPSA-N 437.262 0.253 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@H](C)CC)C2)C1 1839963737 UPMQEASJAXRXNN-BASYENTBSA-N 434.375 0.990 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840029563 JOKLWFQNVRFVML-MEBBXXQBSA-N 448.343 0.433 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccn1 1840184888 HEKDZJKBMRAKET-VGSWGCGISA-N 447.536 0.015 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840265102 LBTMXJJAKHFJEY-YLJYHZDGSA-N 426.897 0.381 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2 1841298778 VEKDFADPVZZRDG-CQSZACIVSA-N 429.590 0.927 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)s1 1844265494 JDAYPZZBLQKQNP-ONEGZZNKSA-N 426.502 0.980 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnsn1)C2)NC(=O)NCc1ccccc1 1845038533 PHNAXPKUGCXUPA-UHFFFAOYSA-N 443.533 0.701 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 725871400 HGXFHSIZCBYQMM-UHFFFAOYSA-N 432.462 0.949 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)cc1 725960437 UBJMSXFJGVJGON-ZWKOTPCHSA-N 443.431 0.714 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1C(=O)NC2(CCCC2)C1=O 726653120 RKLALJTVTHGDJY-NSHDSACASA-N 436.852 0.897 50 20 ICGD CN(C)C(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728353642 LBPRBBADCJUPOJ-KRWDZBQOSA-N 427.413 0.533 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)nc2ccccc21 730067407 YTLJCABWSOIHBQ-UHFFFAOYSA-N 445.501 0.929 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(S(=O)(=O)CC(F)F)cc1 741763053 VDMLUZCPYMXXJC-UHFFFAOYSA-N 447.445 0.954 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCCN1C(=O)CN(C)C1=O 742289325 RSEGWEFJDRSUKF-UHFFFAOYSA-N 440.840 0.327 50 20 ICGD O=C(CSc1nnnn1C1CC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621372 VPDGSRCECRETMW-UHFFFAOYSA-N 439.523 0.264 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C1 751206591 JPZRQVAWUUULAY-AWEZNQCLSA-N 448.501 0.891 50 20 ICGD Cn1c(O)nc2ccc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc21 752127645 PQPBNSICKVHOAZ-UHFFFAOYSA-N 436.472 0.498 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 757996928 FRFXFWYBDZQAPK-SECBINFHSA-N 425.858 0.488 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 759114198 SRDPRYFECMKIRB-BETUJISGSA-N 436.490 0.250 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 759114199 SRDPRYFECMKIRB-CHWSQXEVSA-N 436.490 0.250 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nnc(NC)s2)c1 759377446 AUJCBDQQAGTCPB-UHFFFAOYSA-N 426.524 0.614 50 20 ICGD Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 763509500 GHXSHPJTMOQAGE-UHFFFAOYSA-N 436.856 0.275 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763662935 NLUOSZHTIFUYIT-UHFFFAOYSA-N 426.429 0.776 50 20 ICGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763893718 XXPQKWBIVGNQBN-UHFFFAOYSA-N 430.465 0.387 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1-n1nnnc1C 764116351 DQFUWXOJLDVWIL-UHFFFAOYSA-N 445.823 0.738 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 764135195 BWVYTWKSHZQXLF-UHFFFAOYSA-N 449.485 0.447 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)c(OC)c1 764286297 IRVBGEMJMQCICG-UHFFFAOYSA-N 430.417 0.358 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427964 GQOPSDHKCZLXST-SUMWQHHRSA-N 432.477 0.368 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 764458581 CFQKRDLMTKUMJM-UHFFFAOYSA-N 447.473 0.638 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764514266 MTLVSOPZAOISRI-PXAZEXFGSA-N 430.442 0.212 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765615423 GSZISPDGIQPYEJ-UHFFFAOYSA-N 443.416 0.822 50 20 ICGD CC(C)Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 767849383 DRXLQWUWHREVEW-UHFFFAOYSA-N 429.362 0.528 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ncn(-c3ccccc3)n2)cc1 768285245 MPHLZKUSADZGTH-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD CCCCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769626555 REEYGLOODHOFAG-UHFFFAOYSA-N 430.455 0.952 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=S)Nc1cccc(Br)c1 770127302 GHICJZYIUUEDNX-UHFFFAOYSA-N 439.357 0.723 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 774003634 ZCCAQQOJRWDCQT-NSHDSACASA-N 429.824 0.869 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(C3OCCO3)s2)c1 774317368 OBQZRNFDFSJHLA-UHFFFAOYSA-N 426.476 0.514 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 776061044 DLDLQPHWWGLTOJ-UHFFFAOYSA-N 449.489 0.643 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCOC[C@@H]2OCCOC)c2ccccc2c1=O 777273610 CPTUTEIXUZHYKI-CVEARBPZSA-N 433.465 0.181 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777833121 RVEQGIZZWOBEOG-LLVKDONJSA-N 428.374 0.514 50 20 ICGD CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 777903617 BJRXZPQICLIBOF-UHFFFAOYSA-N 439.538 0.645 50 20 ICGD CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NN(C)C(N)=O 778411201 AVLYPYWCSBZUDD-HZMBPMFUSA-N 447.945 0.777 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 778682510 JQLIRMPINZEHNR-OAGGEKHMSA-N 431.493 0.999 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 780973651 DZYUVYFOQWQKFE-CYBMUJFWSA-N 448.476 0.873 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 782898044 XUQGVXIVTXGMQO-GFCCVEGCSA-N 445.501 0.863 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)cc1 783436219 IBIUODPIIOXVMN-UHFFFAOYSA-N 425.405 0.686 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cccc1N1CCNC1=O 787542338 JQCVLJKOSDZKNK-UHFFFAOYSA-N 427.417 0.395 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccnn1Cc1ccccn1 789811937 HGMOWUVOEMSRQE-HKUYNNGSSA-N 434.456 0.985 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)o1 790394610 QNKWJDAPJASZKS-UHFFFAOYSA-N 443.503 0.541 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1nnc(-c2ccccn2)s1 793939538 RZMIWHMQMWYKED-KRWDZBQOSA-N 431.478 0.659 50 20 ICGD COCc1ccc(OC)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 795284515 RYNABPVRHAZFQD-UHFFFAOYSA-N 442.519 0.758 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1csc(N2CCOCC2)n1 799857376 UJOOAXVIKPWMMM-HNNXBMFYSA-N 438.554 0.378 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 808010659 HGYKOTAULFDAKA-CQSZACIVSA-N 446.508 0.426 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1 811507745 MYCWBUJWINQEEB-UHFFFAOYSA-N 429.458 0.908 50 20 ICGD Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812732940 DQOSHSJMMYNRFJ-UHFFFAOYSA-N 443.489 0.884 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815603752 QIAJNPBZWIGWAW-UHFFFAOYSA-N 441.391 0.319 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNc1cc(C(=O)OC)ccc1Br 816717283 VOIKGLBTAGUATJ-UHFFFAOYSA-N 438.300 0.635 50 20 ICGD CSc1nc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 912864519 HVQOGFLSHMZRPW-UHFFFAOYSA-N 435.487 0.706 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 914712765 VDJPVXCGJGUPNC-UHFFFAOYSA-N 439.446 0.393 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 916034512 OXHUBWQJLRXSMA-MRXNPFEDSA-N 430.808 0.925 50 20 ICGD COc1cccc(COCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 916133329 GVRGXFUIBZXNMW-UHFFFAOYSA-N 427.866 0.974 50 20 ICGD COc1ccnc(NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 919813595 GGKQYZNTSOUPKU-LBPRGKRZSA-N 436.450 0.937 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C(=O)c2ccco2)CC1 1321593339 KTNWZOPLWMVLNI-UHFFFAOYSA-N 448.505 0.822 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 1324049521 MJCRWCLEMMFGFN-CYBMUJFWSA-N 438.531 0.837 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852317 LVPNAPHXQVPTSR-MBOZVWFJSA-N 430.977 0.002 50 20 ICGD CNc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779031408 RUGGYGHXACJTAH-QFIPXVFZSA-N 438.488 0.484 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1779032530 RNOUTZFYNSQNHV-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372347 FJHSXJKDNSIVDW-IIBYNOLFSA-N 442.476 0.423 50 20 ICGD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782114973 VSFRUINFVXSWFR-UWJYYQICSA-N 446.891 0.892 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1782865965 DCOXSORFGGDRRE-MYHKYFONSA-N 443.410 0.578 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccccc3O)C2)C1 1783238447 CRDFMNZJGZQASC-QFIPXVFZSA-N 439.472 0.077 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783341270 CIAISSOWCHEJPH-VQIMIIECSA-N 445.402 0.627 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1783873798 UROGOKVQLUBJIB-KBXCAEBGSA-N 445.925 0.182 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1)C(=O)O 1783968462 VAJKZFFXULMNED-HTOAHKCRSA-N 434.331 0.060 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ccc2c1OCCO2 1784090545 HYMBROAITHQZJJ-MBGYTDRXSA-N 438.908 0.959 50 20 ICGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1OC 1784092969 OHKYWNXCBICELU-XPCVCDNBSA-N 427.885 0.292 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 1784729640 PMWZWILRNNYJIU-KGBGCIRMSA-N 426.322 0.780 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1785370728 NMFFLLLXAVNJMT-HNAYVOBHSA-N 431.917 0.285 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)n1 1787636660 AQIBQVZJEZCJMK-NZBPQXDJSA-N 447.305 0.813 50 20 ICGD C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(F)(F)F 1790883269 TVWLKBRXYHCYOU-CQDKDKBSSA-N 441.410 0.397 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790963637 JEQLGUNIBJGVFX-AJNGGQMLSA-N 447.374 0.513 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792584138 NXIVZBJDHXJESB-KQLYMOGASA-N 436.321 0.623 50 20 ICGD Cc1cc(Br)cnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975904 CJMHZNKEMXLZBI-NDPMZMCLSA-N 446.729 0.955 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369039 CJYULYJXOPAVSC-FBKDDSFISA-N 441.282 0.552 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCBr)CC1 1795493530 YMTDFOQXNXOAKS-MUJYYYPQSA-N 429.359 0.574 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796190542 KFFZBRBYEPVJQS-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1799268038 IQQVYPFQPPFACE-PFFSRIRZSA-N 447.960 0.869 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800575680 XAUOUOWREWXZSM-YETWZAFCSA-N 426.322 0.396 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2)C(Cl)Cl 1801016867 ZXORKOBVKLZQAT-MIFYACCESA-N 427.332 0.777 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCSC1 1802053587 RIUHVASQAXUXFM-YGADERNFSA-N 447.561 0.853 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805532959 NUQVDRZJCLAQIP-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369481 LMHYORKPDNXMBH-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CCc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1807374057 GEEXUEQICDPADM-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1)[C@@H](F)Br 1808662707 QLDLCABNAKOZAW-FPMFFAJLSA-N 426.250 0.465 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808675295 GEBKOXHRFGHING-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810646908 KAEXNMZRGCVGBB-GHTZIAJQSA-N 447.304 0.735 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813033365 MFPUOUSZDXGGHM-BPQOCRPUSA-N 441.912 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1813070171 DNFWKOQRLBKQNZ-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814818343 USEFEESGICVOAO-AEFFLSMTSA-N 428.298 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(F)(F)C(=O)O)[nH]n1 1822413852 CJNRISWCASKEDJ-GFCCVEGCSA-N 444.439 0.885 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725618 KYKDEIHYWOQZSZ-APWZRJJASA-N 429.901 0.280 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1835988278 MIVSCISUJFHBJH-RDJZCZTQSA-N 447.305 0.500 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836972516 CJQAHRUQHJVTMH-KRWDZBQOSA-N 433.292 0.539 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459635 UHHXWJPNCCPZKV-MCFFVMPBSA-N 445.520 0.191 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1838046807 QIWWPMAEVFPDGF-SCLBCKFNSA-N 443.342 0.836 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840031814 CSXILCNNZXYKND-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840033906 UMQNXNMMJGMABS-ZUZCIYMTSA-N 446.258 0.171 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840153066 BZLDNGWUNMLWSH-OXJNMPFZSA-N 440.928 0.543 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840153891 FAXBHOVPBGVTBL-OXQOHEQNSA-N 440.928 0.471 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)nn1 1840153992 HLETVJMEWBCQCF-LIRRHRJNSA-N 442.900 0.199 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840407887 XBWUJQTUOBGUQK-TXPKVOOTSA-N 428.917 0.463 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840809044 JLUMLINFGAGPPZ-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3cccc(F)c13)C2 1844265034 NCYKPNAFKBQLAI-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1846360844 JHSWAIMNTZXANU-AWEZNQCLSA-N 429.926 0.697 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385538 RBTSRUUFPRZOSJ-UHFFFAOYSA-N 425.530 0.476 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)NC1CC1 9890001 DQEJCVUMXPVGPC-UHFFFAOYSA-N 446.441 0.256 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2C(F)(F)F)cc1O 10213780 KSDSQNKOVAAPKF-SECBINFHSA-N 432.380 0.792 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CCN(c2ncccn2)CC1 728960404 YFYWDBJFRBPTOO-UHFFFAOYSA-N 443.533 0.953 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1C 731761249 ASAUMEJOBJCYHY-MRXNPFEDSA-N 440.566 0.910 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)COCc1ccccc1 737636675 BMYJABPNMSONAA-UHFFFAOYSA-N 436.490 0.024 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COCc2ccccc2)cc1 738545343 DKBLZZNUMOQQKC-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD CCC(CC)[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCOCC1 750510255 LZXVIYPLUXIDJY-UYAOXDASSA-N 449.504 0.654 50 20 ICGD O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751361105 JNNUAFQYVWLACS-NSHDSACASA-N 438.487 0.599 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 753292633 SJYVVBGBJWMCHO-QFBILLFUSA-N 435.440 0.830 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 753951082 ZMQJKZVGBHOIHY-UHFFFAOYSA-N 434.566 0.900 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1 755368474 DFFKWVBNCIQPGH-VIFPVBQESA-N 425.858 0.934 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2c1=O 759086598 IPHVBWDDOWSJTA-GOSISDBHSA-N 437.408 0.683 50 20 ICGD CN(C)c1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763719372 XQACPGYPAZRDLU-UHFFFAOYSA-N 433.490 0.403 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1)CC2 763760243 ITYHXNBKJMHLPM-UHFFFAOYSA-N 445.501 0.011 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1C 763848510 INVVRMFECOAHHA-ZDUSSCGKSA-N 434.474 0.504 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1 764037525 NCACMHIBIWLMLA-UHFFFAOYSA-N 448.354 0.892 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 764131453 HDMRJQSKSXMKAG-UHFFFAOYSA-N 435.440 0.988 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 764204496 VXNUDFHBAVLGHJ-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 764226007 DOLVXSSMYRELOO-LLVKDONJSA-N 428.536 0.745 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765118569 LYOICAUTOVZHLK-UHFFFAOYSA-N 432.502 0.463 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n[nH]1 765583374 MVDIQCNJYABWKC-UHFFFAOYSA-N 430.284 0.562 50 20 ICGD Cc1nn2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cnc2c1Cl 766309610 FESWAXLOEIBOGL-UHFFFAOYSA-N 433.841 0.290 50 20 ICGD NC(=O)c1cn(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc12 772884892 RCYVSSXDRRCXEJ-UHFFFAOYSA-N 427.848 0.857 50 20 ICGD COCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 773525479 SBEOXLXWIHMFAD-UHFFFAOYSA-N 434.474 0.483 50 20 ICGD Cc1nnccc1NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776495412 RHLBGBOHZNFZIE-UHFFFAOYSA-N 448.505 0.591 50 20 ICGD Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427274 QWDQNGDAGQJTDL-SFHVURJKSA-N 441.460 0.655 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cccc([N+](=O)[O-])c1C)CC2 784354206 ZPIKDEOCHOZBQX-UHFFFAOYSA-N 433.446 0.844 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 784850999 DSBJWAYHHIMCOT-UHFFFAOYSA-N 446.485 0.790 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@]2(CCO[C@@H]2C)O1 790496971 QNPNRTXIEGWXLH-SNUQEOBHSA-N 425.511 0.602 50 20 ICGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794489126 WOBDTOBDNPUJDB-QMMMGPOBSA-N 428.319 0.916 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)nc1 797747720 CKNMORNJTQRPOF-IBGZPJMESA-N 434.474 0.766 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 802074365 KVGBJBGNOVKNPK-JTQLQIEISA-N 434.902 0.629 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1Br 806979060 LTJMYSGCMWMXHP-VIFPVBQESA-N 440.254 0.530 50 20 ICGD CCn1ccnc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 813373212 YMOXASKZAXVXKO-UHFFFAOYSA-N 435.506 0.318 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2)s1 849193399 RNXCLIQIFDTJFS-LSDHHAIUSA-N 449.620 0.950 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 914598845 VRNYZVGVGPLUSP-UHFFFAOYSA-N 436.490 0.691 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 919961072 QGHVEQBRHVQUOJ-QMMMGPOBSA-N 442.313 0.137 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 920933308 STVFYVGPGFOIEA-SNVBAGLBSA-N 434.496 0.044 50 20 ICGD C[C@@H](O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 1320619610 NPRZOAOOVQHXQZ-MRXNPFEDSA-N 446.529 0.335 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3c(cn2)OCCC3)CC1 1323681342 SKGRDXQMGZPYBB-UHFFFAOYSA-N 432.506 0.495 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1778089982 BKGBKRFSZBPQHH-FRFSOERESA-N 439.937 0.460 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780058001 MDOFFEDJABBOMP-HXUWFJFHSA-N 433.896 0.798 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1C 1780783675 WQTUSMHDFXNBKE-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1781897107 AZARZVANENOXNZ-HBUWYVDXSA-N 447.374 0.945 50 20 ICGD CCC(=O)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783090203 UYAWBQLMGJJGEK-QFIPXVFZSA-N 445.520 0.142 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783376519 YSSFGLAFBQUJJT-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)(Cl)Cl)CCO2 1783936942 MBGLIKUVXVVSBT-AWEZNQCLSA-N 429.732 0.560 50 20 ICGD COc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085022 ATSXBKWIQRFKDS-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788742376 GLZIMNCGCKJEIW-MJDBTJCESA-N 436.322 0.961 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1790963661 WYTOGGRMNGVELX-FMSGJZPZSA-N 427.299 0.537 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2)[C@@H](O)CCl 1792981751 SBBWVGDNMCKKQM-XCCSTKFXSA-N 428.276 0.186 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1793843685 OLTMLONEGISLKO-FWIIZBITSA-N 442.321 0.598 50 20 ICGD CC(C)c1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732461 HSGSZDOEZAZGDJ-JLVBRIDZSA-N 443.334 0.463 50 20 ICGD N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(C(F)(F)F)n1 1795993884 AHEXZCYKYCCKLE-RDBQEKCUSA-N 446.813 0.775 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1Cc2ccccc2CN1 1796191015 OKXKRDPPWULWLP-CIAFKFPVSA-N 433.317 0.333 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cc(F)ccc2n1 1797430136 CBPURFFPHDKPTK-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1ccccc1C(=O)OCCO 1798565660 TUNOEKRKUFDJKX-NOXHYTERSA-N 428.844 0.573 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccncn3)noc1C)C2 1800979038 OWKRPHMXEFENQY-LOUJCGABSA-N 449.895 0.897 50 20 ICGD CN(CC(=O)N1CC[C@H](CNC(=O)C(C)(C)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1802902281 KMLUJSVXZWHXSI-ZBFHGGJFSA-N 438.912 0.895 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366323 YIQOLPAQSWWHRP-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1808314242 WIEDSANRFULGHP-WQVCFCJDSA-N 434.859 0.934 50 20 ICGD O=C(CCCn1ccnc1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972779 QLLUSZOYTBOQQT-UHFFFAOYSA-N 438.337 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1c1cccnc1 1810308715 NBPOIAPCCCFNBS-TXPKVOOTSA-N 438.488 0.436 50 20 ICGD Cc1[nH]nc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1F 1813071709 WGEHBUMHORKGIJ-FOIQADDNSA-N 445.499 0.945 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)nn1C 1815355459 SACPLNHWQHDFCS-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1816781131 DTUWNDWHJMGAGS-WDEREUQCSA-N 441.286 0.785 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819595643 SXKCNTZRHPTOKF-YJBOKZPZSA-N 439.589 0.904 50 20 ICGD O=C(CCN1CCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1823569122 MAXUNVDBTRWXEX-IBGZPJMESA-N 439.325 0.881 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823793416 CVHQSFFAFYOLHZ-NRFANRHFSA-N 427.354 0.696 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)CC2 1825994498 MFQCUMURAQSFCV-VWYCJHECSA-N 437.971 0.990 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053251 HFUUGNSKLYXCNS-LAUBAEHRSA-N 429.370 0.940 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1830539891 KFNQJEYHOHSQNB-ACJLOTCBSA-N 445.310 0.873 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1F 1830736878 BWBIPBQLJBHKKP-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)on1 1832566523 DPNHOMNUISDWSX-QGZVFWFLSA-N 430.299 0.767 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832972998 ZLSRBOLVVHBZLY-YJBOKZPZSA-N 431.942 0.704 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834309251 QTQHNGCAWBQNSO-PBHICJAKSA-N 427.299 0.720 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCCO3)CC2)CC1)c1ccc(B(O)O)cc1 1834797740 ARTPQEBFDKRTFY-OAQYLSRUSA-N 443.353 0.121 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834818793 AVBXDTBIJJYUOU-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc2c(c1)CNC2=O 1835625386 UUKYBSREMNRBKD-IBGZPJMESA-N 448.951 0.715 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1835935714 NIMXWTKIHHAJIC-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202055 IHRPGFRIFDDQPA-CRAIPNDOSA-N 443.342 0.821 50 20 ICGD Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1=O 1836713805 LZCWBJSSJLSVKD-KRWDZBQOSA-N 425.913 0.597 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714577 WZQKWTILZUUTDB-QGZVFWFLSA-N 431.961 0.747 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836921849 AXEJPIGBBNCVDI-LJQANCHMSA-N 448.004 0.679 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)N1C[C@@H]2C[C@H]2C1 1837281747 HCLAMZUZCPAMEO-DRMAHVMPSA-N 444.370 0.568 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1ccnn1 1837715969 UKNUMHMZNFGRHU-CRAIPNDOSA-N 425.562 0.147 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837847385 COSDEKMZISDXCV-HRAATJIYSA-N 445.369 0.352 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839197372 SKKSCCILHUDGJB-DVOMOZLQSA-N 435.246 0.460 50 20 ICGD O=C(c1cc[n+]([O-])cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200651 OCKZLRRIHOXAOQ-CJNGLKHVSA-N 432.246 0.081 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1840150737 PUKUFVWNRRPLFL-XLIONFOSSA-N 431.961 0.429 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840151408 AOEZDNNZFDANOG-FUHIMQAGSA-N 426.897 0.430 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840153739 YUSXHGXRCIZWCN-HNAYVOBHSA-N 437.884 0.282 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840153752 ZCAGZGQDDPOXMN-KZULUSFZSA-N 433.839 0.684 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840155367 ZKVOZCFMFUBCJB-BFUOFWGJSA-N 444.868 0.127 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1840184184 BTOZFAYVNXUUQR-FQEVSTJZSA-N 442.532 0.488 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)(C)C 1840186464 IMUYXFSPKMXSFA-UGSOOPFHSA-N 438.352 0.797 50 20 ICGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353786 PJTADRLUQQTBLT-QWHCGFSZSA-N 447.916 0.246 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1843415881 XVIDHISFCABBLF-XQNSMLJCSA-N 430.509 0.046 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844483488 ONZBZMLBYHRBIO-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CCCN2)C1)NC(=O)NCc1ccccc1 1845120219 BNIONGKBFSWYLV-JOCHJYFZSA-N 442.564 0.678 50 20 ICGD O=C(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1cccs1 19178138 YBFPXFGTEAFECB-UHFFFAOYSA-N 442.453 0.124 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 25414528 PUIHEWRYVQUBLW-UHFFFAOYSA-N 426.429 0.705 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cccnc2)c1 726712393 QVQSRXHNWACESQ-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 728180627 VCTHQJHWYXEIQB-GFCCVEGCSA-N 443.469 0.476 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 728847342 BAWJFONNYGTGNP-UHFFFAOYSA-N 437.435 0.839 50 20 ICGD NC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 729339806 AZXPVXAEGBKZMW-AWEZNQCLSA-N 432.458 0.709 50 20 ICGD N#CCOc1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 732365666 XAFZEFFOYCPUIJ-GOSISDBHSA-N 425.397 0.662 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)NCc1ccc(Cl)cc1 733040403 DJZUWOQESHUSKU-OAHLLOKOSA-N 447.945 0.842 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2sc(N3CCCC3)nc2Cl)c(=O)n(C)c1=O 735972938 ZJTUEWIYILRWJM-UHFFFAOYSA-N 443.942 0.432 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1C 736796626 NRMKJCRTMVQBEI-CYBMUJFWSA-N 435.506 0.839 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1)C(C)C 741206339 ALLOLUMFWPLJBL-INIZCTEOSA-N 434.522 0.656 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)c1 741860050 MMQHPRCTORZWLD-LJQANCHMSA-N 446.471 0.579 50 20 ICGD O=C(CCCOc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 742465220 JJTDYZHJHFQENZ-UHFFFAOYSA-N 448.501 0.723 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCc2ccc(S(N)(=O)=O)cc21 744402153 LLLKRNSVMDNUQR-UHFFFAOYSA-N 438.893 0.820 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1NS(C)(=O)=O 744547717 IXWBTXHUMRDEGH-UHFFFAOYSA-N 430.442 0.856 50 20 ICGD COc1cc(C)nc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 746624041 RDWMINBISUHKBY-ZDUSSCGKSA-N 447.473 0.874 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746700792 BDJNGVSGNCSANH-UHFFFAOYSA-N 443.485 0.595 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C1 748246248 HUVASJLATCBDOY-GASCZTMLSA-N 436.534 0.737 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(S(C)(=O)=O)CCCC2)cc1 749838215 MHDFZSVTGYSVDX-UHFFFAOYSA-N 431.536 0.120 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c(C)o1 751741990 ISNBJGPWELGBRD-UHFFFAOYSA-N 429.838 0.768 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)ccc1OC(C)C 755056339 MDHUYRGOBZNNQB-GFCCVEGCSA-N 439.494 0.344 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)c1 757648588 CEPNDBKIFOFDAC-OYHTYJOISA-N 430.465 0.548 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c1 763629806 IHDUESLGOGXULA-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc21 763789831 FOLAKZYGHHMFJB-UHFFFAOYSA-N 434.456 0.716 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 765392035 ZXKALFTTZZHNTF-OAHLLOKOSA-N 434.449 0.195 50 20 ICGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 768072927 RMWNOUINEKQBSB-INIZCTEOSA-N 435.956 0.864 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2ccc(C(F)(F)F)cn2)n1 768242533 RWAWAGDIYVEQFH-NSHDSACASA-N 442.354 0.096 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccnc(O)c2Br)ccc1Cl 770814039 USFSGQFBBWWTLR-UHFFFAOYSA-N 449.670 0.925 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 771992697 MGTUWZOBMNFKPP-CQSZACIVSA-N 441.506 0.446 50 20 ICGD CCO/C=C(\C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773652489 QTQZBVGJGXGSOT-OUKQBFOZSA-N 431.492 0.351 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2C(C)C)cc1 773999195 DMUNDYDJMWETLI-UHFFFAOYSA-N 428.449 0.975 50 20 ICGD O=C(c1ccc(N2CCNC2=O)cc1)N1CCN(S(=O)(=O)CBr)CC1 777836094 FHYLCXQAFTXHFT-UHFFFAOYSA-N 431.312 0.656 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782894086 KUPZDSAVYVWSIX-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NN=c2cc[nH]cc2)c1 783376159 IFHPSEIHFZBWSU-UHFFFAOYSA-N 440.197 0.977 50 20 ICGD O=C(COC(=O)[C@H](O)Cc1ccccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1 785724884 ITKUQIFGAUHCIN-PBHICJAKSA-N 434.832 0.774 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 792377696 BBTRHOZNJABAOO-UHFFFAOYSA-N 446.533 0.798 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1OC 796991244 BJBREUXRLKPLHR-UHFFFAOYSA-N 425.401 0.838 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 800984743 ZKZJBHVMVFIXBU-GCVQQVDUSA-N 449.327 0.627 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)N1CCN(C)CC1 807380207 DAJFTUJRNNQVRY-LLVKDONJSA-N 437.444 0.360 50 20 ICGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 811681325 BCEXAVIFRYVYGZ-UHFFFAOYSA-N 426.472 0.429 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1=O 817054841 AQKQAQLMTBPYPD-JKSUJKDBSA-N 437.566 0.713 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 913055271 MKJQMZDMECRTLA-UHFFFAOYSA-N 435.458 0.457 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NNC(=O)C(=O)NC3CC3)c2)c1 914865025 HLNHLAZIKBPZAG-UHFFFAOYSA-N 442.428 0.701 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1 916093059 AVZMZXVPNGZEQS-UHFFFAOYSA-N 436.490 0.440 50 20 ICGD C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])C1 919886453 TVMOSPWLWQUNIK-JSGCOSHPSA-N 439.494 0.962 50 20 ICGD COc1cccc(C[C@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1116735153 NEHYMUUDUSBZGZ-IBGZPJMESA-N 447.513 0.844 50 20 ICGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1318919177 KMQKLAQKSWKMTE-HNNXBMFYSA-N 435.529 0.976 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 1329232890 UEKDABQSTLTSEI-UHFFFAOYSA-N 439.471 0.670 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(CC4(C)COC4)nn3)cc2)CC1 1337845022 GIXWDQCOFJEAJK-UHFFFAOYSA-N 449.537 0.008 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778741510 ALRBGYWIUHCERE-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779559232 BIAVXKOAQHCGFW-CTNYNGJSSA-N 448.358 0.435 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 1780263355 AGUACDMKKHXUFR-BTVXTAIASA-N 427.465 0.296 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334042 USVABGLXESCZIL-BLLLJJGKSA-N 431.262 0.800 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1781858172 GISKBVNUFAJUFD-MEDUHNTESA-N 426.297 0.463 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@](C)(Cl)CCl)C2)n1cnnn1 1782604883 VBUQDIGHCIPFTI-NSNWQYSKSA-N 433.340 0.984 50 20 ICGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1782672755 LDJMFBLDSQJSHU-SGTLLEGYSA-N 429.304 0.834 50 20 ICGD O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)cccc2C1=O 1788433517 DIIBLJQTGJFIAC-HJPIBITLSA-N 435.864 0.014 50 20 ICGD CCc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1788770434 MSJQLYNZPVIRDB-BPUTZDHNSA-N 437.566 0.672 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077701 RUIBMLNGPFHRFY-DKQAGWEXSA-N 443.406 0.939 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)n3)C[C@@H]21 1791252107 BUEAUZVRLFVITG-MPTYRVRUSA-N 438.912 0.887 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1791286278 KZRWTLKNNPVDSW-DHMYTKHGSA-N 439.336 0.818 50 20 ICGD COc1cc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740987 VDJJGPAARJNXKP-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc(-n2cccn2)nc1 1796188726 MHZWMFNPXMOFLS-ACDBMABISA-N 445.288 0.513 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2cccnc12 1798021290 LPJBOWKEWDVFGB-BTTYYORXSA-N 434.460 0.293 50 20 ICGD CCc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1F 1798440754 OACOJPDIJXRIAY-ZSBIGDGJSA-N 429.456 0.675 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC=O)C2 1799220658 OTOVNQNYCDXCRC-REBRKWNGSA-N 432.433 0.906 50 20 ICGD O=C(Cc1ccc(F)cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800660850 AMKPFRRKSDLLNP-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)c[nH]1)C2 1801011679 YPASOZZAPCQXJH-DPIQGUFMSA-N 445.442 0.610 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339650 DTSKZTVCNPGELQ-FLXSYLCISA-N 434.537 0.753 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccno2)[C@H]1c1cccnc1 1805631949 VSNWMXRCYACTJA-KBXCAEBGSA-N 435.444 0.702 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371697 YJSRFFJJJJIGHO-CVDCTZTESA-N 444.300 0.719 50 20 ICGD O=C(CN1CCSCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978236 XWYYSOVGTBTWCD-UHFFFAOYSA-N 445.394 0.260 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1813027686 FVUKVVVTSJHAMO-VYDXJSESSA-N 425.917 0.612 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1813034272 GCFCJPQKVVHZQO-TXPKVOOTSA-N 433.896 0.598 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1 1813071245 RAIRMCVRAHNPAV-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814817285 IXMLWQLSQDERRJ-AEFFLSMTSA-N 428.298 0.802 50 20 ICGD O=C(CN1CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354910 XEQDHGOPXWBONN-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD O=C(/C=C/c1cnccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361990 XLNYFCFMQRYKBU-ZKKXHLJNSA-N 449.301 0.552 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824437272 QCMSAGMPZNIOIS-QGZVFWFLSA-N 430.509 0.055 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cnsn2)CC1 1825521214 KQXSYSTYKZARHN-GOSISDBHSA-N 428.323 0.765 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829864954 POFSNEAQJAZDRF-MAUKXSAKSA-N 432.359 0.570 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)N1CCN(C)CC1 1830364036 XWTNKYDDVDIDCT-UWJYYQICSA-N 445.004 0.344 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730988 GQNWDLMSTHYITR-HNAYVOBHSA-N 440.859 0.372 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831968203 UKNUFEZBPCDUAU-ACJLOTCBSA-N 433.839 0.684 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832502896 SVWOPZWCBSNYOJ-SIKLNZKXSA-N 436.936 0.774 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230728 PKLFZGMFWWKIDN-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1834818896 AHTVHCDMOZNLEL-RDJZCZTQSA-N 431.283 0.554 50 20 ICGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835422888 LQJPBIRNGGIDMT-RDJZCZTQSA-N 437.306 0.950 50 20 ICGD O=C(c1ccc2ncncc2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837023012 ZFKBUOUEDWUWKR-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n(C)n1 1837465448 VGMFIRFJBRDLNT-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839144468 AUXFXBHDWZVRGM-AUUYWEPGSA-N 442.900 0.785 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1839966586 JYLYASSBELQSGP-RSCLQEFHSA-N 446.342 0.656 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1840151391 AHCUZEDBYQTSEP-KNBMTAEXSA-N 441.912 0.572 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840901696 QRBMZDITQRXPDY-YYFZDKIDSA-N 441.887 0.796 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1)NC(=O)NCc1ccccc1 1845827483 ACMXAKOKMYQJGV-UHFFFAOYSA-N 439.520 0.502 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848152299 DYDJBXVJJMERKM-ROUUACIJSA-N 449.272 0.180 50 20 ICGD O=C(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccccc1 10671543 DUINAQKZVDUMIJ-QFIPXVFZSA-N 436.424 0.384 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1CCN(Cc2ccccc2)CC1 725871247 IGBYBPGNFBWIJE-UHFFFAOYSA-N 428.493 0.158 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cccc3ccccc23)cn1C 726767885 MSGRDJCQPOVILG-UHFFFAOYSA-N 429.502 0.940 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCc3nc(C)nn3C2)c1 727229862 XLQPUAGFEIGSBL-OAHLLOKOSA-N 449.537 0.576 50 20 ICGD COc1cccc(COCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728328038 DSCGWMUSCNEGTB-GOSISDBHSA-N 430.413 0.742 50 20 ICGD COCCOc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728853765 ALZCYOPMYUGAJJ-UHFFFAOYSA-N 435.506 0.728 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2F)C[C@@H](C)O1 729276985 QJOQLMOIHUKLOH-GRYCIOLGSA-N 431.490 0.530 50 20 ICGD O=C(CN1CCCNC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298504 JTLYRKVOYGLQGD-UHFFFAOYSA-N 434.456 0.621 50 20 ICGD O=C1CC(=O)Nc2cc(S(=O)(=O)NNC(=O)c3cnn(-c4ccccc4)c3)ccc2N1 733123017 NBAJEWPBCZIHDS-UHFFFAOYSA-N 440.441 0.776 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741207798 RHBPZHQQKQAAFP-CYBMUJFWSA-N 438.456 0.820 50 20 ICGD C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)C1 744402230 KUDUUPCAERNOEF-PXNSSMCTSA-N 440.548 0.632 50 20 ICGD Cn1c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc2c(=O)n3ccccc3nc21 744576424 DPRFIRKJVDUAHT-UHFFFAOYSA-N 444.407 0.676 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746186033 VDUGDKXYWVYFHB-CQSZACIVSA-N 427.442 0.020 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC(C)C 746386454 UPVBMZATEJQKHL-KRWDZBQOSA-N 448.520 0.424 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)CCSc3ccc(F)cc3)[nH]c21 749160869 FLASTTAZFJCJDZ-UHFFFAOYSA-N 434.453 0.764 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 755140850 WVVNHZRVNUTBNH-GFCCVEGCSA-N 437.428 0.892 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1ccn(CCN2CCOCC2)n1 756644859 CNUVHVIUTUATOS-UHFFFAOYSA-N 443.512 0.075 50 20 ICGD N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 757692527 IUILVXTVJPNDAU-QGZVFWFLSA-N 438.396 0.683 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 758145299 YRZCKBPCACFEFM-ZIBATOQPSA-N 431.873 0.581 50 20 ICGD COC(=O)c1ccc(NNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)nc1 759739948 UMTADKRBPSPFJC-UHFFFAOYSA-N 447.517 0.772 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@](C)(O)CN3C(=O)C(C)(C)c4ccccc43)nc21 760330253 UDBMVUAWZIEMBU-FQEVSTJZSA-N 425.449 0.587 50 20 ICGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nn1 763015302 ZATUVEOAEANTTO-CQSZACIVSA-N 447.455 0.551 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 763540307 SMYTYVBZGDAFLS-UHFFFAOYSA-N 437.430 0.960 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 763630937 RYNLLLDZRKLKCN-UHFFFAOYSA-N 425.445 0.096 50 20 ICGD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916958 LMAITLDBOHZXIQ-UHFFFAOYSA-N 436.432 0.657 50 20 ICGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763917592 YUGSSIMDKQRNFY-UHFFFAOYSA-N 438.404 0.630 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 764108645 LSYJKPJKMXUSGK-UHFFFAOYSA-N 429.481 0.268 50 20 ICGD Cc1cc(Cl)cc2c1OCCC2=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764813237 VVJNECZASMBZLA-UHFFFAOYSA-N 430.852 0.699 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1 765383844 UOMVEKRKEUATSC-GFCCVEGCSA-N 426.495 0.651 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c(Cl)s1 770688331 YJPPWLAOSZWZRO-UHFFFAOYSA-N 440.908 0.899 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 771846120 OBFOBZPFJYHZJR-CYBMUJFWSA-N 441.506 0.585 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)C1 773422871 ZGIMOTWANRZJGK-QGZVFWFLSA-N 446.552 0.998 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 773495855 FXLLMWUYALDNET-CYBMUJFWSA-N 432.477 0.513 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1Br 779846410 ZXORDGJFCFTHIQ-UHFFFAOYSA-N 426.245 0.132 50 20 ICGD CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 780175438 BPZUJUARAHDTJN-YCRPNKLZSA-N 447.444 0.779 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)nn1-c1cccc(Cl)c1 783424552 FNUSBVREFGESNU-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 783508428 XIBNQPFKHZMFMD-UHFFFAOYSA-N 431.453 0.449 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000762 YZGXLUUFZHKVRB-UHFFFAOYSA-N 430.339 0.200 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1=O 785651504 UZJLPPKFFABPRQ-QZTJIDSGSA-N 430.505 0.632 50 20 ICGD CCOC(=O)c1oc2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2c1C 788744623 VTQZRQPGEIQMFT-NSHDSACASA-N 444.487 0.662 50 20 ICGD CCOC1CC(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 789148640 USHYSLVLUXLFBE-UHFFFAOYSA-N 425.507 0.674 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 790951410 DGVVOMOKIJLJJB-LBPRGKRZSA-N 433.490 0.898 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 791045852 YTWGXOPBNPPADN-ZDUSSCGKSA-N 426.495 0.803 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 792732162 AJDCVJPHTCRURY-HNNXBMFYSA-N 429.477 0.820 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 797635786 IZLWXUWPQGLEKG-UHFFFAOYSA-N 449.489 0.982 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799370836 YSOATNLQQMQJAS-UHFFFAOYSA-N 428.417 0.896 50 20 ICGD CC(C)n1nc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 807953341 SWGUGUBZKQPKJI-UHFFFAOYSA-N 439.476 0.205 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 815691855 CXUSXSBKAFBKGN-AJNGGQMLSA-N 426.481 0.493 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817055308 WGGLMPMVKBAJCK-OAHLLOKOSA-N 432.568 0.974 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=S)NCCc1cccs1 819426874 BSAPRODIXPEKBN-INIZCTEOSA-N 439.607 0.499 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1C 820255465 KNTCZNBEDCHOAO-SFQUDFHCSA-N 442.563 0.928 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 916267372 PQIXKAQIZPNZIE-GOSISDBHSA-N 441.492 0.159 50 20 ICGD O=C(NCC(=O)N1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916473612 VRGJPGYYUWRJKK-UHFFFAOYSA-N 437.522 0.428 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 916505755 CCKYCKSAOHHSOR-UHFFFAOYSA-N 443.552 0.778 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 919788666 SRWWNDJMKAARKR-UHFFFAOYSA-N 442.428 0.953 50 20 ICGD CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883860 GAMYJBOULLEJMR-ZDUSSCGKSA-N 426.495 0.113 50 20 ICGD O=C(/C=C/c1ccc(I)o1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885884 OWDVVDDJDPDSJU-BYDTYLDUSA-N 439.231 0.415 50 20 ICGD CC(C)NC(=S)NNC(=O)c1cc(I)ccc1-n1cnnn1 1248688152 KXYWXFWGTNTSLZ-UHFFFAOYSA-N 431.263 0.784 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 1254774904 BNUGHXSNCHYIMI-UHFFFAOYSA-N 433.486 0.379 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 1317990945 YDTXXLWQJZVEOP-NSHDSACASA-N 433.939 0.836 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4ccccn4n3)CCO2)C1 1779030520 RRESDTYVBSPDIV-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cnc2snnc2c1 1780043145 RCRMADJFHOBNDN-PMUMKWKESA-N 439.925 0.814 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330455 XOSGOXYABLCRDG-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781543016 DSBYTRBYIYAMCX-ACJLOTCBSA-N 427.841 0.998 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccc1O 1781644963 FQPUGCMRSCAEHJ-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1783879769 AUQGKWHLSAHKFM-FXAWDEMLSA-N 433.896 0.965 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 1787508945 UOZUWGHTGHNLHB-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788141268 RQVJGTQWNPUKGQ-OAHLLOKOSA-N 437.305 0.981 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609986 JWMDMPONDYCTER-BODMPHMZSA-N 446.508 0.079 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789868010 OQVZTWKWDXYHIL-WFGGJUAMSA-N 429.366 0.637 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790214214 MMEDWWGWCKMGNW-LTTZEQNMSA-N 427.841 0.493 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749652 VDWJTTGYHXBKFH-DEEHTKSCSA-N 441.377 0.780 50 20 ICGD CN[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1)C(=O)O 1791600159 RZENGRCJRJJELZ-INIZCTEOSA-N 433.509 0.556 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791604199 ZNRKWYAZERPWBM-RFGFWPKPSA-N 427.299 0.619 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1792870224 ADKDHFNUDHMTNZ-ARILJUKYSA-N 428.331 0.535 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793602057 ZHPRUWPUUXKUQJ-XMOXNHLCSA-N 430.509 0.673 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc(C)c1O 1795736882 MSZXDQUPCWXOQF-OPVJXMOQSA-N 438.289 0.206 50 20 ICGD CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739953 VTTACLLIHQRBDR-VTYHHJSWSA-N 436.317 0.836 50 20 ICGD O=C(CSc1ccncc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188243 FXEPHNJYLUNDQG-BCDXTJNWSA-N 425.319 0.806 50 20 ICGD O=C(CCc1ccc(F)nc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189816 DKSRUQOCLNFPCW-REPLKXPHSA-N 425.269 0.785 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796363050 QKQRDJYBQOKXBF-ITGHMWBKSA-N 436.912 0.353 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803141013 KDEYPPJFQVXPSR-WQVCFCJDSA-N 433.852 0.489 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncc(F)c1 1805846128 PPXIUNDQOSPXBT-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360234 IHECIUKWWMFQBG-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807371746 ZLCCJYFDVUATRM-XMSQKQJNSA-N 447.304 0.057 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807690732 HKEXFWWCGWVBTM-JKQORVJESA-N 425.327 0.595 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808416578 BGHYLBQGSMDOEZ-YSCUVJAESA-N 449.515 0.749 50 20 ICGD Cn1ncc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)c1Cl 1809970822 BNEKQDGCALFFIU-UHFFFAOYSA-N 444.728 0.912 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1810295677 VEJVJCPBMCFWBF-LFVTVUPYSA-N 426.452 0.758 50 20 ICGD CNCCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302207 IDNKRQSRLNVHHM-OXJNMPFZSA-N 439.520 0.399 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074885 XGVRISVFGUCLHX-XMSQKQJNSA-N 432.569 0.801 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)C(Cl)Cl 1813082439 VNZLGHGEOXXEKE-WBMJQRKESA-N 425.272 0.816 50 20 ICGD Cc1noc(N)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339940 WCXPRQMDBMVBCU-LBPRGKRZSA-N 441.278 0.241 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](F)Cl)sc3C2)CC1 1817123066 OONRYFNNXUYTCQ-XHDPSFHLSA-N 431.921 0.754 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817465168 SKMGKOZSLHFBDP-RYUDHWBXSA-N 434.844 0.046 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817478771 BENYUJLMWVZOSM-IBGZPJMESA-N 449.276 0.739 50 20 ICGD CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](Cl)COC)CC2 1819811318 RCBFGDGFWODYNV-UWVGGRQHSA-N 433.987 0.793 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181846 OSTUOHSANPCPJM-HUUCEWRRSA-N 436.900 0.251 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1O 1825456486 CWYSVHHLHAWFPU-IBGZPJMESA-N 440.309 0.353 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)CC2 1826006567 JUANMIFRWHKBKH-MGPQQGTHSA-N 444.001 0.945 50 20 ICGD Cc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830724637 AGFKBRJNMGSMNV-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD Cc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726603 RMDBRKVOYLZTQL-XLIONFOSSA-N 425.913 0.379 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732779 AORBBNSJUKOSJT-QAPCUYQASA-N 449.287 0.421 50 20 ICGD C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(F)(F)F 1832160179 BUPFNAUVMMOHGE-HOTGVXAUSA-N 442.507 0.608 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832773520 FCCYJHZNKNBQLP-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CCOC(=O)C1(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833312302 PNOKZDFHWGKPEK-INIZCTEOSA-N 429.945 0.501 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834818857 DTSJDBURMAOSDI-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)ccn1 1834823054 GUTKOTDCPXWKQD-SFHVURJKSA-N 442.310 0.945 50 20 ICGD COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1 1836718223 LOAFWZSYMAFXCQ-INIZCTEOSA-N 426.901 0.697 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836957297 PUVFWIAAUDJYMO-HNAYVOBHSA-N 440.859 0.143 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1837287283 RASSPTZXPANBAR-DCXXXQMHSA-N 439.629 0.635 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)no1 1837717582 HWEDMGPUTQIJDP-LJQANCHMSA-N 425.558 0.833 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839395541 VMLOLROOWOKNJY-WIYYLYMNSA-N 448.907 0.746 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034029 YEMWHVQJWFYLNF-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1840152777 STDQDKWOASMOEB-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840153522 RHWJFDUEGOWLRD-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190051 AQDCBMTWHQFEDD-KRWDZBQOSA-N 425.309 0.836 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840407885 XBWUJQTUOBGUQK-GJYPPUQNSA-N 428.917 0.463 50 20 ICGD O=C(COc1cccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840410466 GRUGANLQGFRWQF-ZBFHGGJFSA-N 447.261 0.002 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784240 MYFIRYVXBBMUGM-UZLBHIALSA-N 444.887 0.642 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841287934 OLQUAUXPRQJPEU-OLZOCXBDSA-N 438.326 0.829 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012052 YVOAOTLNKVZMAH-UHFFFAOYSA-N 435.289 0.439 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H](N)c1cccc(Cl)c1)C2 1844263915 KSUCFRUYEBCMSN-QGZVFWFLSA-N 442.907 0.856 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc3c1NC(=O)C3)C2 1844264962 CWZKVALVWFRONC-UHFFFAOYSA-N 434.456 0.311 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1847071513 VDKKVEUECFBKLE-INIZCTEOSA-N 449.552 0.479 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 731492515 LTAJAULRCNOETE-UHFFFAOYSA-N 439.515 0.781 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1nn(-c2ccc(F)cc2)ccc1=O 731578172 AMJLDBARHFWIRJ-UHFFFAOYSA-N 437.435 0.839 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)NCc1ccc(Cl)cc1 733040402 DJZUWOQESHUSKU-HNNXBMFYSA-N 447.945 0.842 50 20 ICGD Cn1c(NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)nc2ccccc2c1=O 733264083 WMUHVZZIWYXOFM-UHFFFAOYSA-N 448.530 0.756 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1C 736779374 ZKEFUXZHQXKZHM-UHFFFAOYSA-N 445.544 0.963 50 20 ICGD CN(CC(=O)NCc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 738449822 FKHXJJMJWKQOPL-UHFFFAOYSA-N 432.506 0.582 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 741144652 XZFYFCLCJMCZJC-NSHDSACASA-N 428.442 0.307 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 743254727 TXZHYPGZDZTQEW-SSDOTTSWSA-N 447.278 0.581 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1F 744914427 KJZZHJRHOHGLMC-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(O)nc2c(Br)cccc12 749873832 KFPIHRRNOQQEJO-MRVPVSSYSA-N 428.264 0.899 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 750601899 ZOSQUGCKXNYVBP-UHFFFAOYSA-N 448.530 0.900 50 20 ICGD CN(C)c1ncc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C 751806401 HHLGSGOTBUCALF-UHFFFAOYSA-N 449.537 0.415 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nnc(SCc2ccccc2)s1 755416327 CRPMAUXCUXRVNB-VIFPVBQESA-N 430.537 0.921 50 20 ICGD CN(C)c1ncc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 757755030 GITMSRWWFAKLJN-UHFFFAOYSA-N 449.493 0.030 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1OC 759517454 JTVMSEQPRNJVTE-UHFFFAOYSA-N 431.515 0.260 50 20 ICGD C[C@@H](CC(=O)NNC(=O)COc1ccccc1O)NS(=O)(=O)c1cccnc1Cl 760552526 SRPNSUHJJVGIND-NSHDSACASA-N 442.881 0.724 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNc1nccc(N2CCOCC2)n1 762850814 JZHMZRCNYMLAHU-UHFFFAOYSA-N 432.506 0.819 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)cc1-n1nnnc1C 763449938 LQUSWUSMNFUCNL-UHFFFAOYSA-N 446.427 0.927 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 763732388 CDMVRAUGDCCBQO-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1C 763945031 RZKUEMMNRACLHQ-UHFFFAOYSA-N 440.416 0.493 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2O1 763978529 KPOMFRBNGUSHET-HNNXBMFYSA-N 432.820 0.347 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 764231789 QDKJJNHZWGQBQL-LURJTMIESA-N 441.691 0.126 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 764421742 RKTDADCTNTZIPZ-TXEJJXNPSA-N 436.465 0.185 50 20 ICGD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1 764433573 NPBAXAXYSLEXPP-UHFFFAOYSA-N 433.808 0.880 50 20 ICGD CCCCn1nc(C)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl 764812408 KOXIXWHXMAAGJK-UHFFFAOYSA-N 434.888 0.542 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 765420736 NWPXOQXRQQNPIP-INIZCTEOSA-N 448.524 0.866 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=C1C(=O)Nc2cccc(Br)c21 767257981 PFZFKUXBLDSLKW-UHFFFAOYSA-N 425.224 0.610 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1 767734352 ZBXHOPIBFHGPDB-UHFFFAOYSA-N 435.842 0.978 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767853801 ZDZJKKWEFCSPJT-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCS(=O)(=O)C1 768035739 HSEVSBYGIHZBCH-ZCFIWIBFSA-N 449.707 0.986 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1 771867821 LIEIDOQCIDEITB-ZDUSSCGKSA-N 427.479 0.293 50 20 ICGD Cc1ccc(CCC(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777779790 RVZXEZNDTUJISI-UHFFFAOYSA-N 446.367 0.870 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2S1(=O)=O 778445529 PBASJPYWXGHHTL-UHFFFAOYSA-N 426.451 0.137 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783424963 GZAWNUBGFHPKJI-LJQANCHMSA-N 425.507 0.707 50 20 ICGD O=C(COC(=O)c1coc(C2CCOCC2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 786715564 APWDWRDGEUAMAQ-INIZCTEOSA-N 431.401 0.713 50 20 ICGD Cc1c(S(N)(=O)=O)sc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1Cl 791197174 PQDWPTZWFGWTJV-JTQLQIEISA-N 431.879 0.958 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C(F)F)CC2)cc1 792237926 NZVMUBJSYNJKLQ-UHFFFAOYSA-N 432.493 0.740 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1 796992141 NTGODKSZHDBTND-UHFFFAOYSA-N 441.375 0.819 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 797708684 AILTYFATLOWUIU-GOSISDBHSA-N 438.893 0.951 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)COCc1ccccc1 802722182 SCWZLXWNAWSZES-UHFFFAOYSA-N 428.488 0.625 50 20 ICGD COCCn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)cc1C 806280284 CGMOOQMIKVFMIE-UHFFFAOYSA-N 441.532 0.776 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cn1C 808069342 USSTVGOMYPGJBT-UHFFFAOYSA-N 425.488 0.944 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(CCN2CCCC2)c1 815691842 CMJBZRLESSPMMX-MRXNPFEDSA-N 425.493 0.265 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 895724379 OMRJQZMXMWUUMM-WJDWOHSUSA-N 440.489 0.734 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 912988732 ZTURRZPGURBGPR-NSHDSACASA-N 432.886 0.617 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccc(-n2cnnn2)cc1 914837689 QMKIKZMEJXSOOH-UHFFFAOYSA-N 434.504 0.565 50 20 ICGD COC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN(C(=O)OC(C)(C)C)CC1 917925401 LCOWRJCKFPRGTP-UHFFFAOYSA-N 445.480 0.839 50 20 ICGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1116088563 WXMIKFLGYZKGNB-LJQANCHMSA-N 425.486 0.501 50 20 ICGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(F)(F)F 1251628511 CBHSVCYOURKQOV-QGZVFWFLSA-N 441.414 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777841145 XNJKRHHBFSDXPV-JOCHJYFZSA-N 446.504 0.274 50 20 ICGD Cc1cccc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)[nH]c12 1778450474 GQGKRQQTJYDRKW-XMMPIXPASA-N 447.300 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365630 HZUDGBCNIASQTL-LKFCYVNXSA-N 425.795 0.521 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1782171669 ACIFEBVVOWILQB-JXXFODFXSA-N 425.913 0.767 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1ccnc1 1782210560 ZZUQIGOCFHBVOO-CSODHUTKSA-N 434.541 0.331 50 20 ICGD Cc1ccnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782212181 ZHRQIUNHQVZOGG-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1783874726 ASBRZPVJZSQESC-YLJYHZDGSA-N 433.896 0.965 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1783884498 STRQYZGJGRKHII-LDBYXDLTSA-N 437.924 0.889 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783965954 XSNLAKUHHXIBRK-MLEONAHRSA-N 432.359 0.864 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804251 QWZRZPRSTBYCFX-JYJNAYRXSA-N 437.569 0.133 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1785708591 LJOFMDYWUNBPKI-ACJLOTCBSA-N 431.917 0.473 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cc(O)nc(O)n1 1787440363 PVYSBYJHQYDIQT-ZQCZZBHPSA-N 433.234 0.172 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789094516 JLKCSUJYGJQGJE-TUUVXOQKSA-N 426.311 0.944 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21)N1CCN(C)CC1 1789800408 ZVGDDASNTQJWRS-VJANTYMQSA-N 440.661 0.454 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)C1 1793082680 RWIRKIAWKFMWLT-AIEDFZFUSA-N 449.907 0.746 50 20 ICGD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1794370443 SRJFDRVIJFCSPW-FVCCEPFGSA-N 427.299 0.719 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1CS(C)(=O)=O 1794404832 DPMPIYIVEBOGAK-YXPYIKCWSA-N 443.953 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CCC1)C2)c1cccc(B(O)O)c1 1795737447 GXFZRJATUYGIMD-MIFYACCESA-N 440.227 0.302 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cn2c(Cl)cccc2n1 1796852971 NBZGEQKOERKBBM-DDFXLWFNSA-N 427.288 0.791 50 20 ICGD COCCn1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1797068733 AYFQQFOAHGSXKI-QDMKHBRRSA-N 441.492 0.094 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799038472 GOIFCEQTXIAXCI-HLPPOEQASA-N 432.945 0.934 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)s1 1799046376 AAWPMAWXCAJUPP-DMVWFOPNSA-N 444.937 0.921 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799152235 VJBUURFFBBQCMM-WNSDDWSPSA-N 437.613 0.829 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1805901879 ZCIHGYNOPHFWAT-RXVVDRJESA-N 447.304 0.611 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813031648 RGSYWCUKFCLFHC-WDSOQIARSA-N 445.712 0.335 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814887241 SJVPJDGSMZBDTH-RBUKOAKNSA-N 439.325 0.880 50 20 ICGD N[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccccn1 1817331396 FSLVBWHGCZFOGN-UYAOXDASSA-N 448.292 0.490 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1)c1ccc(B(O)O)cc1 1817470680 GEDBFUNOIYDDDD-SFHVURJKSA-N 434.265 0.428 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822184404 KSQQDRQTDZCCOU-INTQDDNPSA-N 441.286 0.783 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415327 YLYZWQCNOCRGMT-ZFWWWQNUSA-N 433.513 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCn2ccnn2)n[nH]1 1822812790 GQEMJRQQQWTFQK-HNNXBMFYSA-N 431.501 0.457 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1830242050 QONIMTDJBFIUQZ-WDSOQIARSA-N 429.005 0.842 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1C 1830354106 SAPPFXSRLKIYTM-HXUWFJFHSA-N 426.945 0.992 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725480 ORGPSXDIWXPWJU-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731824 NXSWHCMMEHTDFS-JLTOFOAXSA-N 442.896 0.374 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1833335384 OOYJKXDVPJSIQT-CRAIPNDOSA-N 428.848 0.644 50 20 ICGD Cc1c[nH]cc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799909 CYIKNTNVQLKIRB-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932144 PYDAVTCQNOQMNL-MBSDFSHPSA-N 446.353 0.653 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200225 HMZLURNVPUIJLL-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839240321 VNVZHCPVEPJSIH-SFHVURJKSA-N 443.342 0.810 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840034188 CRVFOLQRYVMSPJ-BZNIZROVSA-N 449.733 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1841003809 PUASSHNVRJAGFC-UHFFFAOYSA-N 438.444 0.653 50 20 ICGD O=C(c1c(Cl)ccc2c1OCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011262 LIXKNQDLUKSZQG-UHFFFAOYSA-N 442.664 0.879 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249866 JRYMVWPICQRPKA-FSJBWODESA-N 426.433 0.444 50 20 ICGD CC(C)NCCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038788 UCGICSSCFMPBGG-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846365642 JYIUGYRGCCWJQA-STQMWFEESA-N 446.932 0.212 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n(C)c1 16225126 KSFBGDMZRKMNEW-UHFFFAOYSA-N 433.490 0.767 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCn3cncn3)c2)cc1 23447965 PAFJOOKWAZUOPT-UHFFFAOYSA-N 444.473 0.939 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 725872136 AUGRXFCEVNOMDV-UHFFFAOYSA-N 447.492 0.745 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728213720 HVQOHBLJMGFUCG-AWEZNQCLSA-N 441.554 0.979 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 728288427 DMOCBAGVNLNDCI-GFCCVEGCSA-N 425.536 0.482 50 20 ICGD C[C@H](Oc1ccc(F)cc1Br)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275537 PJVFFVSZQGXOGK-SFYZADRCSA-N 426.264 0.441 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1Br 732255338 DKHMXVDMMXHIOS-NSHDSACASA-N 449.327 0.826 50 20 ICGD CCOc1cc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)cc(OCC)c1OCC 735029430 ZQZXNYNYMWHZHZ-UHFFFAOYSA-N 434.449 0.355 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)/N=C1/NS(=O)(=O)c2ccccc21 743337897 DBXHNDGYBSNUOT-ZDUSSCGKSA-N 430.486 0.990 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744469070 UFTKQYKOFYQGPI-UHFFFAOYSA-N 430.442 0.427 50 20 ICGD NC(=O)N[C@@H](CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1 744620522 GXGNTWDGISEWJI-KRWDZBQOSA-N 447.517 0.950 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2Cn2cncn2)cc1OC 745526668 OTQZIPHKHWAYTQ-UHFFFAOYSA-N 439.428 0.962 50 20 ICGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 751208465 DLJUQGCMMNJKDM-LJQANCHMSA-N 429.458 0.093 50 20 ICGD C[C@@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOC1 754010223 NPLCWVACVHWIEM-LJQANCHMSA-N 425.507 0.214 50 20 ICGD CCCCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756188579 DIQXHDSCOQLYLX-UHFFFAOYSA-N 443.464 0.466 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2ccn(CCN3CCOCC3)n2)cc(OC)c1OC 756645688 INWADXKYBULGCZ-UHFFFAOYSA-N 448.480 0.708 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 758047308 LFUOAQGMIJQYBT-YOEHRIQHSA-N 432.502 0.633 50 20 ICGD O=C(COCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)NCc1cccnc1 763173460 OJPODNCLOOOOTE-UHFFFAOYSA-N 426.408 0.705 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)cc1 763413545 RKDHRYYFLPPGJZ-UHFFFAOYSA-N 445.544 0.744 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572099 PUDOBDMOCPZWDJ-FZKQIMNGSA-N 441.440 0.964 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C(=O)Nc2ccnn2C)c2ccccc2c1=O 763820594 LFMLRBRFWCNAAK-UHFFFAOYSA-N 425.449 0.720 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 763878551 RCFVJARSIQNJTN-CYBMUJFWSA-N 442.428 0.307 50 20 ICGD C[S@@](=O)c1ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1F 764202324 CBZAENIFFMTNDT-SSEXGKCCSA-N 444.485 0.954 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 764296397 ZOBPQRZUQDEOIL-UHFFFAOYSA-N 440.382 0.973 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425729 RSPSJMYWKXCOQG-DOMZBBRYSA-N 436.465 0.774 50 20 ICGD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 766258309 FABOMAIOOIVPCY-UHFFFAOYSA-N 438.400 0.858 50 20 ICGD Cc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1Br 767899669 ONEMCEQZXRZBDS-UHFFFAOYSA-N 426.296 0.792 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c(C)noc2C2CC2)cc1 768239200 VOBMXMFZYHSRTG-UHFFFAOYSA-N 449.489 0.575 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)ccc1OC(C)C 769572403 BFJKGNIFEAFLBX-UHFFFAOYSA-N 440.478 0.827 50 20 ICGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Br)cc1 770448067 UTLIIQTYYGNONW-ZDUSSCGKSA-N 436.328 0.939 50 20 ICGD Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 773263911 GENPSVMLBHMKRZ-CYBMUJFWSA-N 438.531 0.979 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)n1 773730088 FERPGBQBJROYOR-UHFFFAOYSA-N 436.450 0.016 50 20 ICGD COC(=O)Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 777813615 TUGUCGNLULKSGY-UHFFFAOYSA-N 438.484 0.621 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781964555 JPIUJIIRXPDGSC-HOCLYGCPSA-N 438.893 0.249 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1nnc(-c2ccccn2)s1 788558632 RZGCUGVTYVECJR-SNVBAGLBSA-N 436.523 0.761 50 20 ICGD Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 792270302 ASLHTMLKCZYEEW-UHFFFAOYSA-N 443.489 0.873 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792387944 JVEDZNKXTPQCFP-GFCCVEGCSA-N 439.432 0.493 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2=O 794061783 LKOUOWSVNYHLGY-UHFFFAOYSA-N 445.476 0.561 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798308364 WUXVEMSPUQMUEX-AWEZNQCLSA-N 430.552 0.450 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc(Br)cc1 801995679 RPDFTDDGYZTZNZ-RFHZTLPTSA-N 437.250 0.764 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1OC 807546985 VAVKEOWPSBMBNH-UHFFFAOYSA-N 433.465 0.949 50 20 ICGD COC(=O)Cc1occc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 810414419 SQEHYCOIPWWMPA-UHFFFAOYSA-N 437.478 0.083 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1OC 815286752 OLOLTSWHTMROTN-LBPRGKRZSA-N 428.463 0.223 50 20 ICGD Cn1c(CCC(=O)NNc2ncccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 913043877 CQGGUMLVLVJHNJ-UHFFFAOYSA-N 445.505 0.460 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCCCC1 916252382 JOEYPVNKPQAUFP-UHFFFAOYSA-N 426.495 0.654 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2)CC1 916514628 ISAJEXMQKQVIJA-QGZVFWFLSA-N 449.519 0.817 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3O)c2)CC1 917358634 GPSYXAQAGBWNBU-UHFFFAOYSA-N 446.485 0.320 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)cc(OC)c1OC 917905136 DVFAYOOWZYCAOD-JTQLQIEISA-N 443.503 0.902 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@@H]1CCCO1 919889678 RDZRCHZHKODYGH-ZKLTYMAFSA-N 449.533 0.708 50 20 ICGD COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 920826480 LXPIQKFEHDCMQC-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD O=C(Cn1c(=O)oc2ccccc21)NNc1ccccc1S(=O)(=O)N1CCOCC1 1318941025 GCABSLOOXDCUPL-UHFFFAOYSA-N 432.458 0.759 50 20 ICGD O=C(CCCCn1cccc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779196514 VDWLDGWCZRFSSI-QHCPKHFHSA-N 439.321 0.482 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877027 MVMKSPQNVVXFLV-IAGOWNOFSA-N 430.292 0.255 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781008687 UBXUCNBXTKCZQY-XMMPIXPASA-N 447.300 0.534 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1nc2ccc(F)cn2n1 1781431553 NPCSWOSOJBTNNO-PJIJBLCYSA-N 439.875 0.596 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783533767 HPBFVIHOYJWEQQ-PZSREKOKSA-N 449.298 0.095 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934770 LZLPQNFBNAIUSX-IFXJQAMLSA-N 438.554 0.146 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1783936325 UPWJRCDCTWGGLL-IBGZPJMESA-N 434.522 0.441 50 20 ICGD COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ccn1 1785101983 QVOWAILCZAKFME-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785569827 VSHOTGDOOPMSTL-AUUYWEPGSA-N 433.933 0.721 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4[nH]cnc(=O)c4c3C)[C@H]2C1 1789176603 FVXKCWXQXLYQEW-HNKHHVNMSA-N 435.912 0.942 50 20 ICGD CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793252930 VRGHFCPDVFHDHA-ZJOBFFGXSA-N 432.359 0.913 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1793878218 FYSGLOOVFKDQCC-CRWXNKLISA-N 441.916 0.745 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C)C2 1796440448 MCGFGQIFEHGIBD-LLJCUJCISA-N 438.488 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cn2cc(Cl)ccc2n1 1796849344 VCSVSRIHPYJOSM-VAECKANCSA-N 427.288 0.791 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2)[C@@H](F)Br 1799347875 YNRSKKTZTOAYCW-YIDVYQOGSA-N 429.286 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2 1801013451 ZLARFEMEVCTRED-USGNIVHTSA-N 438.475 0.470 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cnc3ccccn13)C2 1802334926 SVJFAEOOGWHTDS-BJWYYQGGSA-N 426.521 0.888 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523089 NMTXOGREDHAKDA-GOEBONIOSA-N 437.928 0.426 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1805687400 MKDZUYYONZSMAT-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cscn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369745 UKDRSMKMDBVMLG-VQIMIIECSA-N 436.302 0.851 50 20 ICGD Cn1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807512355 CQUCSFWQOWPBLM-PGRDOPGGSA-N 447.304 0.057 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809030015 TVRXVWJCAPZOJX-BQYQJAHWSA-N 428.294 0.331 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809974884 GFABDJAHBOFTMF-GOSISDBHSA-N 438.337 0.744 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810434084 XPDWNAWVFCZXPB-PBEJRMEISA-N 439.321 0.895 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1815895203 GBDWNNNIXSCYQT-CQSZACIVSA-N 439.306 0.648 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)no1 1817470407 ANGJKWRCFAESJZ-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 1817479105 LYORKXPXWAXJAA-QAPCUYQASA-N 426.282 0.822 50 20 ICGD O=C(Cn1ccccc1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817515873 KJUVQLSKUMFKGR-SFHVURJKSA-N 449.276 0.257 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2nc(N)n[nH]2)n[nH]1 1819285561 GOWUPBVOFFOECO-CYBMUJFWSA-N 446.516 0.108 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903918 GMHGNXCAFPJIKT-JSGCOSHPSA-N 443.342 0.941 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CCc2cn[nH]c2)CC1 1825185320 MBMGYYQZJPGGGI-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1C 1830731354 JABYLVHLZJIUKQ-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944368 KHSNHJCREMPHIR-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837708372 DRMCLCULFKXQQK-HXUWFJFHSA-N 427.618 0.636 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839059210 VWVRHNHZUGLTSX-GOSISDBHSA-N 426.311 0.866 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)C1(O)CCC1 1839197179 LDROKLKMJMGAFM-XJKCOSOUSA-N 437.306 0.684 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839387841 WWUYZADEDIRTCF-IQUTYRLHSA-N 449.932 0.303 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840031235 JGISUMPAWJHTCK-SJKOYZFVSA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840151926 RPAJIHPLGKUFEK-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)(F)F)C2)C1 1840182596 OEWPTRJOCLJZIP-FQEVSTJZSA-N 448.511 0.497 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 1840185024 JLFMSIQHLJYKJB-JBYIUTFZSA-N 438.569 0.642 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350632 OPFCMQUQFPICST-MELADBBJSA-N 431.917 0.160 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2Cc3ccccc3CN2)C1 1843368943 KVOPCDSRGSPPTR-LJQANCHMSA-N 434.500 0.217 50 20 ICGD O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9930664 HQIBQLHTFGPCRC-LLVKDONJSA-N 432.296 0.151 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 10414502 NGKHSUSEFSNYPN-UHFFFAOYSA-N 434.861 0.875 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)CNC(=O)c1cccs1 725741981 XBGRJXPCQOCUDU-UHFFFAOYSA-N 428.467 0.133 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1OC 728312566 XUMUIPJEMDFSHF-UHFFFAOYSA-N 437.474 0.391 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)C1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 728329848 WHZCXPBJMNLURG-MRXNPFEDSA-N 440.474 0.265 50 20 ICGD COc1ccc2c(c1)OC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2 728340323 VMTRMFTYEPVBAV-IFXJQAMLSA-N 442.424 0.777 50 20 ICGD CCCCn1nc(C(=O)NNC(=S)NCCS(C)(=O)=O)c2ccccc2c1=O 729157743 HYAZPFNOJFBEID-UHFFFAOYSA-N 425.536 0.350 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 734241800 VMQNWSOSTNGJAA-UHFFFAOYSA-N 429.499 0.456 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2OCCN2CCOCC2)n1 744868977 MVTUDAAYTRZCNU-UHFFFAOYSA-N 430.509 0.742 50 20 ICGD O=C(C#Cc1ccccc1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 747349665 KADUHELHFFLFCU-UHFFFAOYSA-N 441.509 0.839 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 748555871 VXHXLEJSZYFVAX-UHFFFAOYSA-N 426.838 0.396 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CCCC1 752285522 UPACVXBPRMNXHV-CQSZACIVSA-N 443.547 0.412 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 755408176 XMNZNRYVEDJUIF-UHFFFAOYSA-N 433.446 0.335 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755653954 ADCAKYZLQJEEIS-LBPRGKRZSA-N 429.499 0.024 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc4c(c3)OCO4)cn2)C[C@@H](C)O1 756840097 UGCIZLWPAVNGAX-CHWSQXEVSA-N 444.448 0.714 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 761166829 MWVAPOPKSCHFAZ-QZTJIDSGSA-N 438.488 0.363 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1O[C@H]1CCOC1 763573502 SMXKCEHQWKNXPB-UGSOOPFHSA-N 427.413 0.780 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763577672 JBLASSHDLHATTR-KRWDZBQOSA-N 440.412 0.565 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1C 763942079 MEPRUVCPRYHLDU-JTQLQIEISA-N 432.506 0.524 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 764002636 OXKVYTKDBLVKRL-GFCCVEGCSA-N 442.925 0.851 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 764012316 POHNVHJJMKXNQH-UHFFFAOYSA-N 444.835 0.633 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 764047145 CKINKPZGBRMQSZ-UHFFFAOYSA-N 436.428 0.688 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)cn1 764362608 FSQWMYQJYGBGKX-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764367535 XOZGESCDERWRMH-MRXNPFEDSA-N 438.440 0.195 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 764372054 VKSPOOYRBXGDLJ-UHFFFAOYSA-N 441.488 0.694 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=CC2CCN(C(=O)OC(C)(C)C)CC2)n(C)c1=O 764812500 MACKRPCNSYBYGA-UHFFFAOYSA-N 447.496 0.183 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 765753977 HNTLJIPHSJIOBZ-UHFFFAOYSA-N 449.511 0.556 50 20 ICGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652806 PICVOWRBJVIWNB-IBGZPJMESA-N 443.548 0.629 50 20 ICGD COC(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 767775420 KGZMRDBTFVOYGW-KRWDZBQOSA-N 428.397 0.546 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H](C)O1 767822685 MYDUYYIHUPLZDZ-QZTJIDSGSA-N 446.552 0.157 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1OC 768289320 WRPOJAHEOURLLG-UHFFFAOYSA-N 447.473 0.399 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 768571191 NYQMBIVQKIIIPF-IBGZPJMESA-N 435.506 0.516 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 769741694 MOOAGIILZQVQPE-UHFFFAOYSA-N 434.312 0.918 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1=O 770403230 SVZOALJMLNOERG-OVWNDWIMSA-N 445.484 0.634 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 770757887 KQXHSYWGGNYFRM-UHFFFAOYSA-N 434.453 0.756 50 20 ICGD COC(=O)[C@@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 771897672 JSBWJQFUWLXQTL-KRWDZBQOSA-N 434.474 0.251 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 771966347 OWKPBNZRBRQIBU-STQMWFEESA-N 429.470 0.716 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)n1 773723428 ARQSAEHOQPWJJJ-UHFFFAOYSA-N 436.494 0.785 50 20 ICGD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NNC(=O)c1csc(N2CCOCC2)n1 775181113 NCZQIQKUJMBYEJ-UHFFFAOYSA-N 446.449 0.908 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C1CCN(c2ncccn2)CC1 784395023 RPGZSZLZBURRAI-MSOLQXFVSA-N 442.520 0.282 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1 785234890 PMUORPKOBYSDRZ-UHFFFAOYSA-N 440.464 0.456 50 20 ICGD O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)NNC(=O)c1ccccc1 785405990 KYPKCMCQEWVJEN-UHFFFAOYSA-N 447.469 0.795 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)c1 787541186 NIHQPLFCNWMDCW-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3ccn(C)c23)c1 788332144 XSBHSXOWCGMGBQ-UHFFFAOYSA-N 443.485 0.828 50 20 ICGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788622853 CFDHTFCZPLFSNC-LRDDRELGSA-N 432.458 0.423 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F 792881213 FHHUTWGDNRCQPI-NSHDSACASA-N 430.339 0.972 50 20 ICGD Nc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 800235002 LAAOTQZGYLQLAQ-UHFFFAOYSA-N 440.865 0.205 50 20 ICGD C[C@@](O)(CCc1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 801494565 YMELODSZTKGZIW-PGRDOPGGSA-N 428.441 0.901 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808187190 ZBXXNGJNZLWOQW-CQSZACIVSA-N 434.522 0.791 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)ccc1Cl 814222537 PZSSPIWJMJMKOP-LLVKDONJSA-N 438.897 0.480 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)CSc2nnc(O)nc2O)c(N2CCCC2)n1 863968611 XZJVCIXWBWPSMS-UHFFFAOYSA-N 425.862 0.151 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 913156775 STYXKYPLUGRATM-GWCFXTLKSA-N 434.312 0.788 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1[nH]c(-c2ccccc2)nc1C 915112164 XBHQWIOHXVQMDX-UHFFFAOYSA-N 427.490 0.810 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)c2ccccc2c1=O 917494089 GRFYVIPTEYKIJA-CYBMUJFWSA-N 425.449 0.094 50 20 ICGD COCCOc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 920213121 MBXLKAMYKYBRAQ-UHFFFAOYSA-N 437.478 0.824 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)CC(=O)N(C)C)cc1 920852634 SBTFHYKNCAQVQJ-WJDWOHSUSA-N 438.488 0.888 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C(=O)c2ccoc2)CC1 1115854691 MOLNMJRYMXERTF-UHFFFAOYSA-N 448.505 0.822 50 20 ICGD COCCCN1CCC(NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1116163674 DNVCTMFJXDQPBS-UHFFFAOYSA-N 427.527 0.927 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C1CCN(C(=O)N2CCCC2)CC1 1338558807 XABNLQQKPWWDCC-UHFFFAOYSA-N 429.525 0.768 50 20 ICGD O=C(/C=C/c1cccc(O)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783272111 BJQAKXWUHNNQHN-UZHKBWCJSA-N 436.273 0.229 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(C)c1 1784095385 DKPFBKMOYLCZIA-OWLYRPNTSA-N 438.908 0.975 50 20 ICGD O=C(CCC1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786321537 NLJNWAKWARVFMU-JBACZVJFSA-N 428.338 0.930 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787080907 JGCZKYPWANJKME-YDHLFZDLSA-N 442.310 0.774 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cc3F)[C@H]2C1 1790082198 JUSBVDYWCOXEIJ-OWQGQXMQSA-N 436.484 0.498 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1791252884 VVAQIFFNEWRIFJ-QAETUUGQSA-N 429.945 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21 1791291102 LNMFIUVFAKTEKD-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)[C@@H](O)CCl 1792974778 BVMPIWHTRNFMIW-VZAMPYOESA-N 437.859 0.209 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncoc3c1)C2)c1cccc(B(O)O)c1 1795739244 WKSAUERUPINODA-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]nc1C)C2 1796441724 VXFTZQCGRPUUEH-LVTGYEAHSA-N 427.465 0.055 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1C(F)(F)F 1796553749 GTJRVHKCBXAJNH-DRXBFXEBSA-N 446.426 0.875 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2)[C@H](F)Br 1799348183 BWHFJXVRDGXKOH-LFSVMHDDSA-N 431.262 0.559 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800394492 RKZJWAVJNRPZEP-XHJNMGKDSA-N 437.356 0.327 50 20 ICGD COc1c(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C 1801012528 NGIUZYIBDGLCPI-RMFSNUHRSA-N 446.548 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(n1)NC(=O)CC3)C2 1802333450 XOLCJJZKWBRYAH-MUJYYYPQSA-N 442.520 0.591 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1804622366 XUENROCPNZRHOZ-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD CCOCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806505139 QHYQNDZXFIMTFE-BEFAXECRSA-N 426.477 0.436 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364994 VXTYHYPUUFKNAX-PXNSSMCTSA-N 447.256 0.557 50 20 ICGD Cc1onc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1C 1807367227 XUGXGZLNIVAEHI-RXVVDRJESA-N 448.288 1.000 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1807369732 TZYBEGRBCOHMRV-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807583915 BSYKHXWXRSUUHL-DAYGRLMNSA-N 434.880 0.710 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1810303711 VCQIWWJBVAMWBK-FOIQADDNSA-N 448.487 0.366 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817475919 ZUDXOEFTPYUPGQ-LJQANCHMSA-N 439.325 0.737 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476510 UMIYPXRRRDPHEJ-NMEJYPJZSA-N 446.338 0.554 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402686 GYRFVXOWZNAGEJ-CQSZACIVSA-N 438.452 0.454 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822183705 GVPZHRRSTFSHJV-ONGXEEELSA-N 441.286 0.737 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1822184263 QYXDPCDCJVTSIG-JBLDHEPKSA-N 429.319 0.778 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768768 XOIHQMOEHVMMPD-CVEARBPZSA-N 425.913 0.521 50 20 ICGD Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cnn1C 1827051122 NPVNCAYABXZWIU-NRFANRHFSA-N 438.337 0.955 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829824022 LOMXUJNBKMIAEE-HKUYNNGSSA-N 426.542 0.621 50 20 ICGD O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728179 QBRSBNDHCFQNMF-AUUYWEPGSA-N 426.853 0.085 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C(F)F 1830732888 XUTMKDJKTKSMCO-CXAGYDPISA-N 436.843 0.256 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831646649 MPGHTVNWMGHLQS-YVEFUNNKSA-N 429.861 0.795 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831656546 NNKFTSUQURPPFX-DOTOQJQBSA-N 448.402 0.676 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833063223 ZOVKOOZLEHGVOZ-GOSISDBHSA-N 447.045 0.861 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)nn1 1833312656 VHLGSAWLZQRXDL-KRWDZBQOSA-N 440.976 0.818 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c1F 1833667036 HFABYDMCORMXII-GTNSWQLSSA-N 447.305 0.958 50 20 ICGD CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1834814107 XPGKMLYGGGOJAS-QFIPXVFZSA-N 447.536 0.199 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1835836268 WUCZXMMQIYOFJB-ROUUACIJSA-N 426.634 0.132 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835934149 MZEYBIFZCSSXCL-PMAPCBKXSA-N 444.337 0.263 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836247553 VOCZEOKJPCKQDG-GTNSWQLSSA-N 437.827 0.936 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836799425 MQVNWIKWSFYTHP-XLIONFOSSA-N 439.871 0.977 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838890444 WFXUBSGUOZTNAD-UZLBHIALSA-N 442.896 0.725 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839197723 GOSWBMHKMZPZOJ-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839241090 BBDOGBPNLKDIPC-DOTOQJQBSA-N 447.305 0.716 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351842 UUEHBOKAEQCXFA-JXFKEZNVSA-N 439.896 0.109 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839716805 CUNDLJJZYAESLQ-SUMWQHHRSA-N 429.315 0.431 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1839963797 WQCZUADPNLZOPY-PBHICJAKSA-N 437.331 0.279 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840152644 OPIOIORMKZWDMU-YWZLYKJASA-N 440.928 0.233 50 20 ICGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187579 KIYSGFKUMZTQIE-KRWDZBQOSA-N 435.308 0.403 50 20 ICGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840321762 HYTGGZOBUHRSHO-HOTGVXAUSA-N 426.297 0.035 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010586 HFDJCZAOOATORY-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)N(C)C(=O)OC(C)(C)C 1843014475 NIWLGDUHFGWSGB-OAHLLOKOSA-N 445.325 0.439 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416169 HUZRRKAINPBSQB-YJMCUSNWSA-N 430.509 0.629 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1846384077 ZXXLMYXXRGSQTD-UHFFFAOYSA-N 429.521 0.335 50 20 ICGD CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 14870763 CPIGSHIMCMPIMS-SECBINFHSA-N 441.325 0.592 50 20 ICGD Cc1ccc2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(=O)n2c1 728322605 DQOQDYKAAIXIQZ-INIZCTEOSA-N 438.396 0.147 50 20 ICGD Cn1c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc2c(=O)n3ccccc3nc21 728846393 YVNBOWBCYGAGGO-UHFFFAOYSA-N 446.471 0.654 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 728977325 FKPOCOGKNSEYLW-NBLIUIFLSA-N 425.413 0.933 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc3ncccc23)cc1 730204220 XMYHYUBRZABJNL-UHFFFAOYSA-N 428.426 0.673 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 731761952 QHCSXFCAPSXEQY-OAHLLOKOSA-N 435.525 0.736 50 20 ICGD CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 732307542 JOBCNWOGEQMKAQ-CYBMUJFWSA-N 445.563 0.235 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)s1 733350112 NLQDADHBOYLJHT-UHFFFAOYSA-N 434.503 0.986 50 20 ICGD C[C@H](CC(=O)NNC(=O)COCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742695861 XBHXJPZYERKDAP-CQSZACIVSA-N 430.486 0.868 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 744856283 HUZDOCPPNXCASM-UHFFFAOYSA-N 430.442 0.664 50 20 ICGD Cc1nc(C)c(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 745863143 CIEWYRSAMMUBBA-UHFFFAOYSA-N 439.567 0.917 50 20 ICGD CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NNC(=O)C(=O)NC(C)C 749159765 KMVPTRSTOYGQGH-MRXNPFEDSA-N 431.518 0.758 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)NNC(=O)c1ccccc1 749288972 NBDNFWSGUCCASQ-CQSZACIVSA-N 437.499 0.906 50 20 ICGD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)CNC(=O)c1cccs1 751208294 BJRJQZNUXLAKKZ-UHFFFAOYSA-N 447.429 0.922 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 752244648 JTWDIZWBDQWGQV-OAHLLOKOSA-N 435.433 0.384 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)c1 752300038 VEUCPDCBKJZYGO-LBPRGKRZSA-N 446.485 0.696 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755308480 XRMRIJDLBRTAIN-UHFFFAOYSA-N 448.427 0.521 50 20 ICGD CCOCC(=O)NNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 755693166 SUNBTUYBZPPLBO-UHFFFAOYSA-N 441.492 0.557 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756147068 ZUAVRFBPJBJOQP-UHFFFAOYSA-N 439.372 0.853 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2ccccc2F)C1=O 757630236 UXYDCCUDVDBBCR-UHFFFAOYSA-N 442.407 0.785 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc3c2oc(=O)n3C)CC1 757914539 NFGJEAJFKFOHFB-UHFFFAOYSA-N 446.489 0.220 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 758047944 ZPYURRGMKHQBSP-RISCZKNCSA-N 447.355 0.671 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760439295 BJIMLKSBDAWHKW-UHFFFAOYSA-N 425.486 0.549 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 763876165 COZSWSAAJWXOSY-ZDUSSCGKSA-N 447.469 0.846 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)c1 764185511 PFRVMNLXTZHVGJ-UHFFFAOYSA-N 433.486 0.829 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 764204614 YTOQHLFTMWHTAF-UHFFFAOYSA-N 432.441 0.053 50 20 ICGD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 764370331 QEQNMMQBGZVGEK-UHFFFAOYSA-N 427.385 0.848 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1c(F)cccc1F 765118545 LCWOAMPBBCXYGE-UHFFFAOYSA-N 438.456 0.732 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 765313347 KXJDHBGSVZTEJF-UHFFFAOYSA-N 445.476 0.710 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)C1=O 765604564 YHQZRAUHXCIQEO-UHFFFAOYSA-N 428.449 0.957 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2cnc(C(C)(C)C)s2)n(C)c1=O 765727558 KMPBSBFICCPFIM-VOTSOKGWSA-N 445.505 0.049 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1 766636100 JMUSKIGCINSMHR-FQEVSTJZSA-N 435.484 0.785 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3c(C)cc(O)cc3=O)CC2)cc1 766641921 GROUWJONZIBNQO-UHFFFAOYSA-N 427.505 0.136 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)n[nH]1 768273689 IWLNKFUDPFDAMW-GFCCVEGCSA-N 436.490 0.829 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 768644516 DNWHGYYFNAZDGF-UHFFFAOYSA-N 438.487 0.907 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 768865467 BJOHPESHHOHADI-UHFFFAOYSA-N 434.477 0.530 50 20 ICGD COC(=O)c1ccnc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 770683453 UNFWSBVEHMVGED-UHFFFAOYSA-N 435.462 0.650 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 771913112 KQSWHXHHKKDVMD-DGAVXFQQSA-N 427.523 0.772 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 772220992 JFZDJONUXOLWCS-NWDGAFQWSA-N 436.556 0.247 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1OC 775549981 VVMNOYODJPPVNA-MRXNPFEDSA-N 435.502 0.840 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cn1 779640277 AUKIKIPIHNRBAV-UHFFFAOYSA-N 427.446 0.759 50 20 ICGD COc1ccc(NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)nc1 781533644 KNIPQBJUGKJVIA-HNNXBMFYSA-N 436.490 0.775 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)o1 782006076 KTGUSKABNQJNKR-OCCSQVGLSA-N 427.866 0.827 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 782535797 CEWXXXRMWGBBDH-UHFFFAOYSA-N 430.490 0.658 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 784002461 PXLLBZLUTPTNMC-UHFFFAOYSA-N 431.380 0.061 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)cc(F)c1Br 785991347 QLAHZKIOXZIANN-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1C(F)(F)F 793447748 NBIPVCZFTFTPBP-QMMMGPOBSA-N 433.368 0.567 50 20 ICGD CO[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 798980391 OHEMZNIVJZCHHQ-IBGZPJMESA-N 434.928 0.726 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNc3nc4ccccn4n3)c3ccccc32)N1 807033347 MWNHZBQSCJSLNE-KGLIPLIRSA-N 435.444 0.208 50 20 ICGD CN(C)CCN1C(=O)C(=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 814970188 VKZZQUATJKZWHB-UHFFFAOYSA-N 430.490 0.768 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc2cccnc12 815566647 AFFIIGPAKHNOEA-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ncncc1F 815765213 JTIMJUNAUBQNEX-UHFFFAOYSA-N 436.469 0.679 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778480 SXNHWNBTWRKFFO-IUODEOHRSA-N 426.495 0.169 50 20 ICGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 913632812 YKVXKYYUXQBNNK-UHFFFAOYSA-N 433.446 0.956 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccncc2)o1 915059005 AKZKMAADSHKBMO-ZDUSSCGKSA-N 436.446 0.466 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCOCC1 916254015 BZVLWACBAXBVQG-QGZVFWFLSA-N 441.554 0.238 50 20 ICGD O=C(NNC(=O)N1CCN(CCc2cccs2)CC1)c1ccc(-n2cnnn2)cc1 920050224 WGWRUXYRQMNPSN-UHFFFAOYSA-N 426.506 0.939 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 920297373 DTGNFCHZYAKSNR-CYBMUJFWSA-N 443.489 0.087 50 20 ICGD Cc1nc(N(C)C)sc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1254293887 CTQVATRXKMGWJV-UHFFFAOYSA-N 439.567 0.606 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc2n1CCC2 1318329030 GODHGQFZWNSYRK-ZDUSSCGKSA-N 447.521 0.714 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 1341633139 ITVUQWGXLDSRRH-KDOFPFPSSA-N 426.495 0.219 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cccn2c(O)nnc12 1777955515 KTTNMRZLTHNOHP-PJIJBLCYSA-N 437.884 0.162 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778351613 GEWMBVNEZLNZSA-YLJYHZDGSA-N 428.961 0.388 50 20 ICGD CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1779029109 LIPFATXMSKENFO-XMSQKQJNSA-N 446.552 0.249 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 1780498642 CHUGHEVIPWQHHD-NRFANRHFSA-N 428.681 0.777 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782607647 UVFLYSRRQVDPJW-UMPJEAMMSA-N 443.346 0.922 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783344939 WVYDDRKBTGMDPU-CJNGLKHVSA-N 444.286 0.795 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)nc1 1783944368 YBYFQOCGZKNHAR-INIZCTEOSA-N 436.317 0.732 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293304 SMRWKHFEUVVGRU-NEPXVJNWSA-N 434.537 0.811 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2)[C@H](O)CCl 1792975134 KUZQBUDRBKZLSK-BFMVXSJESA-N 449.935 0.224 50 20 ICGD Cc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1794074999 QTTYZCQKHRTIDZ-OPMZPASUSA-N 431.537 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)[nH]1)C2 1796439452 GAZZGAOJPCTWID-WKOABOCDSA-N 427.465 0.055 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(C(F)(F)F)cn1)c1ccc(B(O)O)cc1 1796531154 HDYHWBUIJBCOGP-QDMKHBRRSA-N 448.210 0.741 50 20 ICGD CC(C)(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nn1 1799435128 GKBZCNAEFDSMLI-BJWYYQGGSA-N 425.298 0.279 50 20 ICGD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)Cc1ccccc1 1800435386 CVKAESZCFYPVIC-USACIQFYSA-N 425.323 0.963 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(OC)n1)C2 1800973580 GGVSLMGESWIYKI-MVWRLGRASA-N 425.913 0.866 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801286524 IAHYWTVMVKACHF-GWCDLVAZSA-N 425.917 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnsn2)[C@H]1c1cccnc1 1804998728 UJUTWFBWIGJHRH-RDTXWAMCSA-N 431.522 0.626 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CN)[C@H]1c1cccnc1 1807011443 DUCQLTJRNFJRBF-AYNQPBFESA-N 439.520 0.816 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807061062 LCXGWQCRQIFRAO-IPYPFGDCSA-N 425.331 0.744 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374928 PIYPOWPQBRZTIU-PGRDOPGGSA-N 447.304 0.437 50 20 ICGD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCCN1 1808068590 FSYSPWXBPWKUEN-KKLQWCBXSA-N 436.321 0.223 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810318223 IDHQUOIKHDIFHC-KMANFZQXSA-N 432.912 0.978 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814874041 XNDFASDIKMHBNZ-UONOGXRCSA-N 435.872 0.314 50 20 ICGD O=C(CCc1cnc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350049 FEDXMYUKDVTZPG-CQSZACIVSA-N 439.306 0.405 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471717 YEPRSNIFVRQSFU-QGZVFWFLSA-N 430.270 0.058 50 20 ICGD Cn1ccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402103 NDPZCLGTPFVORU-HNNXBMFYSA-N 437.464 0.761 50 20 ICGD O=C([C@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975045 NQERWFXWHDSNOT-WBVHZDCISA-N 437.965 0.871 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827687848 QGLPEZJHTISKIG-KKSFZXQISA-N 443.353 0.467 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829758020 PUYUZHZWFJKLDJ-QGZVFWFLSA-N 443.602 0.501 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1830177231 ATBLOVIUBAWFAV-QAPCUYQASA-N 448.900 0.695 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1830325409 XFZUNYICSWFYIQ-JCKWVBRZSA-N 448.358 0.389 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830464772 SRYOMGWRZHPKKC-XLIONFOSSA-N 441.311 0.748 50 20 ICGD O=C(CSc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723826 QWHUMZIGBRBOFQ-LPHOPBHVSA-N 428.938 0.835 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 1830726937 XFKRNXZSLBXCRB-XLIONFOSSA-N 440.899 0.913 50 20 ICGD N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830731234 IFXTWBQJZCSZRA-KXBFYZLASA-N 442.299 0.881 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830737099 CWINRJGFIJHNII-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831639613 DKDSPMKVTWFELW-AUUYWEPGSA-N 428.917 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnnc2O)CC1 1831873388 IPEBYTFMYCEPAX-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1=O 1831887619 BRMFEAMLFRSACY-GUYCJALGSA-N 446.273 0.146 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399936 DFVOYFSYXBZCCW-RXVVDRJESA-N 445.004 0.488 50 20 ICGD CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734743 SDVWVRICUPRWHQ-UHFFFAOYSA-N 441.536 0.420 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nn1C 1836031581 FEMOPOSDYDHJMG-SFHVURJKSA-N 425.961 0.767 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1837717416 FDPZLWOLLUQKAI-HXUWFJFHSA-N 436.585 0.717 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1C 1838390119 RULIGFZGKJEIOT-JOCHJYFZSA-N 449.552 0.085 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203187 CKCNMVPJNXAMAU-DOTOQJQBSA-N 446.273 0.477 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839413867 YIWKUAWELZXPCP-YOEHRIQHSA-N 431.804 0.905 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839965576 DAWAOWSAKZNKFZ-SUMWQHHRSA-N 443.298 0.426 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1839966205 XLQVLWMXTGYSJM-CXAGYDPISA-N 429.315 0.962 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033401 CFKOLGLBBQXLBG-QWQRMKEZSA-N 433.343 0.799 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840149986 CSFCJNWECBUTTH-IFXJQAMLSA-N 427.885 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)C2 1846383862 CTWQXWQELUWGSI-WIYYLYMNSA-N 428.533 0.859 50 20 ICGD O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931230 FMDFSJVBFCJNNV-SNVBAGLBSA-N 429.911 0.843 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 24661738 KZTYEVYCKXWDJQ-UHFFFAOYSA-N 425.488 0.973 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 25433821 IPWNGWXQFMYBRK-IERDGZPVSA-N 442.403 0.580 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725740738 GWQIGOYICUVFQV-UHFFFAOYSA-N 430.895 0.501 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 726076789 CSKOBJDQYDDPSW-UHFFFAOYSA-N 432.568 0.870 50 20 ICGD Cc1ccc([C@@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)cc1 726102239 JTTDBOJJHGMFKA-QGZVFWFLSA-N 429.477 0.722 50 20 ICGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(Br)cc1Cl 728954925 SPKDPQNRYGKHKB-UHFFFAOYSA-N 427.708 0.986 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 729050908 XRWOHBVDMTYMQT-UHFFFAOYSA-N 430.896 0.957 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456209 WINUGXVVRLYMDO-UHFFFAOYSA-N 445.299 0.719 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1 733262049 PTVMKXZJAHLJOR-UHFFFAOYSA-N 431.474 0.615 50 20 ICGD CN(C)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 741175056 DJQGNFMSGWQJRZ-CQSZACIVSA-N 446.547 0.504 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742477295 FVIXZRALZWLUMG-BNDVLBTASA-N 445.472 0.553 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 744399509 QCDJHPSFDBLAND-NRFANRHFSA-N 446.511 0.742 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 747323970 VJGVOOXCMBDBHI-QZTJIDSGSA-N 438.488 0.363 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)CCOc1ccccc1 749908627 RAJUWEWQQVWHHO-UHFFFAOYSA-N 435.448 0.481 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1nc(Br)cn2ccnc12 750249297 DDYQFAXTHZAUER-RBJBARPLSA-N 431.250 0.742 50 20 ICGD C[C@@H]1C(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1C 750570804 SQSPATRETYNMCP-LLVKDONJSA-N 441.400 0.990 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1C 751546790 DTHDQGBJHMIASA-UHFFFAOYSA-N 429.458 0.273 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 755622879 JBZPFQMEXDEIRS-UHFFFAOYSA-N 449.475 0.516 50 20 ICGD CC1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 756163165 VJLYVOYMABQOBH-CYBMUJFWSA-N 425.511 0.649 50 20 ICGD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758051200 FUPNHRSYCDQMQR-SMDDNHRTSA-N 432.930 0.570 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnc(C)s2)c1 763509189 NQVATJGDBYADTK-UHFFFAOYSA-N 439.519 0.882 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(C)o1 763576006 DRYYKWLHHNKCTD-UHFFFAOYSA-N 433.852 0.886 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1N1CCOC1=O 763577753 LBPPUDWNGUGIKS-KRWDZBQOSA-N 440.412 0.878 50 20 ICGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 763640099 SNANEJSAZXESSD-UHFFFAOYSA-N 438.362 0.898 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763813280 JLENYHQLARPUMV-UHFFFAOYSA-N 438.444 0.263 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccnn1Cc1ccccc1F 763916212 DDBNPRVUSPBCGJ-UHFFFAOYSA-N 449.406 0.446 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764115079 MPOOYFKFQWDKBX-UHFFFAOYSA-N 432.424 0.843 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764267212 CZAMYIYLBRJPGH-AWEZNQCLSA-N 447.517 0.628 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CSc2ccccc2O)c1=O 765251222 ZXAKSVSNOFJHSA-UHFFFAOYSA-N 428.470 0.828 50 20 ICGD CC(C)(O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 768255424 JIRMKPXHZJZESQ-LBPRGKRZSA-N 435.340 0.961 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 769060117 NSFZPZYHMNICRC-FQEVSTJZSA-N 440.464 0.314 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1O 771145466 XWDGDWGEARRBBJ-UHFFFAOYSA-N 433.439 0.535 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 771903535 QEVDYDHZRLUTEK-RKDXNWHRSA-N 440.250 0.923 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccnc1-n1cccn1 784217061 TVDQBKHNQLXYMB-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)C(C)(C)O 787949128 BCPFVQOXUQUKOE-UHFFFAOYSA-N 433.486 0.979 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1 790998995 NAUFKMYWOOAMLV-UHFFFAOYSA-N 425.398 0.865 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 802074366 KVGBJBGNOVKNPK-SNVBAGLBSA-N 434.902 0.629 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)c1 805133290 JEFDBLGHJXCIJQ-UHFFFAOYSA-N 446.493 0.413 50 20 ICGD N#CCNC(=O)CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 807554525 IPKBCAMKBYEFIA-UHFFFAOYSA-N 436.475 0.133 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1ccccc1F 811102738 CEPIXXXTUCVLMT-UHFFFAOYSA-N 431.467 0.659 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)N(C)c2ccccc21 815263454 KTCGFNRXTSKJPJ-CYBMUJFWSA-N 433.490 0.336 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 859419261 HRMHLFWZNRUMKH-GOSISDBHSA-N 447.469 0.545 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc2Cl)C[C@@H](C)O1 864234786 VZDTZSOVBAIJBN-SCRDCRAPSA-N 430.719 0.827 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCS(=O)(=O)C1 915927321 SCJSKBDOLDXKGD-SFHVURJKSA-N 444.579 0.742 50 20 ICGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916268651 ZNCSRVSNBXFZJY-UHFFFAOYSA-N 425.511 0.330 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 920239650 VWOZTTJGXPKNSC-UHFFFAOYSA-N 448.501 0.653 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1csc(N2CCOCC2)n1 920287771 KGQYUKASZJHHTH-QGZVFWFLSA-N 443.529 0.974 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C1 920824686 ALUUEPGNCALXHN-GASCZTMLSA-N 436.534 0.737 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN(C[C@@H]2CCCO2)CC1 1319172477 QFLXMBVYXVZHJV-SFHVURJKSA-N 431.541 0.667 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1320978414 KUTGDAGRMMNTOA-UHFFFAOYSA-N 425.486 0.196 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 1779031692 WMBZZJCYIUIDAX-FQEVSTJZSA-N 429.502 0.433 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779068437 KCMYNAWHVIWQLG-FCEWJHQRSA-N 432.901 0.719 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779446703 UVOXCBHHAXOHQU-FQEVSTJZSA-N 447.659 0.311 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Cn2cncn2)C1 1779503495 ZBDYVFZSHJQSOM-WFXMFSGNSA-N 427.933 0.682 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n1 1780380126 JIHQTQAXDIBFLY-NRFANRHFSA-N 441.492 0.220 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782002067 LWOIONRUIZPIFC-RUZGCFLTSA-N 449.342 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3sccn3c1)CCO2 1783934130 ZMOPOOXOSNKFBO-HXUWFJFHSA-N 433.534 0.817 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785080503 ZHEHLXBRNXQSIR-BXKMTCNYSA-N 447.300 0.751 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1787405621 RFKCWOAMNHPVEM-PEDHHIEDSA-N 433.347 0.444 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2ncoc2c1 1788049676 QAUGGSGIATUTOH-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C[C@@H]21 1791291108 LOQXOWNQIAFOSG-BZSNNMDCSA-N 446.552 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 1792812477 QYFRAJSHPTWAAC-YNKYUYGSSA-N 446.523 0.892 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 1793665207 HEMAVXLIDHBUFE-LMWOUKEDSA-N 441.941 0.485 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2cccnc2n1 1796191558 XSCDLIQAAWIUCY-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(CO)on1)C2 1796891766 KGSQQZCDWPFNRF-ONMDDFKGSA-N 428.449 0.553 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797847369 IKENALANWZOPQT-SQGHVOSSSA-N 438.289 0.575 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sccc1Cl 1798286985 YKNWSORXQZHWBU-DRXBFXEBSA-N 428.942 0.978 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498310 KDQJXWVWMISCQR-KYZVSKTDSA-N 433.896 0.700 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2 1802344059 NLVNRNHTJMUDGL-BCDXTJNWSA-N 427.505 0.948 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802969962 IQJJJVOUISGPSY-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804648545 NPTOPJOLSYCJBK-DENIHFKCSA-N 445.288 0.114 50 20 ICGD CC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806386205 DLVJGQFZPBGGMU-UZLBHIALSA-N 438.488 0.769 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807361275 WKSYRCWGRUTNPC-UYAOXDASSA-N 437.305 0.508 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974653 YWNWINRSRDYCHZ-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813031376 RGSYWCUKFCLFHC-NEWSRXKRSA-N 445.712 0.335 50 20 ICGD CC(C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337976 YHNXCAKFXRVGQJ-AWEZNQCLSA-N 431.323 0.864 50 20 ICGD COCCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817048323 FJLILSIDANYAPU-MRXNPFEDSA-N 445.480 0.377 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817283089 UQHSQILXRWCTOX-QPDIMOPTSA-N 442.457 0.277 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472541 WMRYEBZCMMLTKL-DYVFJYSZSA-N 439.281 0.086 50 20 ICGD C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473992 JRYQPMVBIZBUOJ-KSSFIOAISA-N 426.282 0.987 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCOC2)[nH]n1)c1ccc(B(O)O)cc1 1817475778 UMTVUIOCOAXTCM-CRAIPNDOSA-N 426.282 0.822 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(CO)o1 1819776015 GGTSJYLTVPMQGA-KRWDZBQOSA-N 438.249 0.795 50 20 ICGD C/C(=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1)C(=O)O 1819801505 MUBLWAGWBFWSGH-MBACFSSFSA-N 444.473 0.398 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722941 KVXHOWPMQACYEP-LPHOPBHVSA-N 432.851 0.563 50 20 ICGD O=C(c1cc2sccn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724085 VRHXZTSCGTWUAY-KDOFPFPSSA-N 427.910 0.671 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1C[C@H]1C1CC1 1833246907 LQVTXMKMCVZGLV-VXKWHMMOSA-N 439.365 0.598 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823274 LZBIDVRNCJSRPZ-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835291452 QTRPEESKBLKRSO-HDMKZQKVSA-N 445.285 0.867 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnc2ncccn12 1835385117 MCSMSFRSRJTHEI-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(C)C 1837221494 JATOJZTVOONVID-UYAOXDASSA-N 444.601 0.882 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCCC3)C2)C1 1837457247 ZEWNBZHZZYLZRO-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709980 BZEWDKJPXDUCPL-LJQANCHMSA-N 429.590 0.209 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc21 1839527825 SGMUMKWXYUTUEY-NQIIRXRSSA-N 436.892 0.485 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839563698 SRGLQVLUXWWNDF-QRWLVFNGSA-N 438.864 0.808 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839637897 XCVIGSQZTKREGE-DAYGRLMNSA-N 434.375 0.814 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840032457 ZBKVZRXDGMGPCH-KSSFIOAISA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840150751 RBAKHEAGIFOYDO-JXFKEZNVSA-N 443.903 0.864 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cccn1 1840443122 XFAKOIHNNAKWCG-IOASZLSFSA-N 433.278 0.591 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498466 MMBCYOZPMNXRQR-QFBILLFUSA-N 427.885 0.040 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840932566 NSAUETRQMLYLEK-OXQOHEQNSA-N 444.887 0.433 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1)NC(=O)NCc1ccccc1 1842509615 LCNXWAUNVHTJDF-UHFFFAOYSA-N 439.520 0.433 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2 1846384186 OGIDGLLCHGZFFG-UHFFFAOYSA-N 439.557 0.866 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889974 UHSANANOOONTIQ-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 725898927 OGVFVVJZKAOGMP-QGZVFWFLSA-N 436.534 0.881 50 20 ICGD CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216154 SXYLLMZCSBQNQN-SFHVURJKSA-N 437.566 0.857 50 20 ICGD CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728334411 HDHWMNRNEZLBCT-KRWDZBQOSA-N 429.385 0.495 50 20 ICGD COc1ccc(C(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)c(OC)c1 728958175 VNABQWCWBAEPSC-UHFFFAOYSA-N 427.461 0.840 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Br 729275536 PJVFFVSZQGXOGK-JGVFFNPUSA-N 426.264 0.441 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 730777721 BFLSKULJPCWMGC-CQSZACIVSA-N 427.413 0.952 50 20 ICGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 731596448 JXSCACFVFJEOPQ-SECBINFHSA-N 447.516 0.368 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1ccc2ccccc2n1 732474107 GVTQNOOZTCAPJL-OAHLLOKOSA-N 435.506 0.667 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n(C)c1=O 732976905 QLAUZWQVUVPLDJ-UHFFFAOYSA-N 430.812 0.280 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN(C)C(=O)OC(C)(C)C)CC1 735117059 NBQVYRKFICJUII-UHFFFAOYSA-N 442.542 0.328 50 20 ICGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 736063008 BXTCYJWBROKFGH-UHFFFAOYSA-N 441.473 0.585 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 740850860 CJSFGSRFBCYMDV-HZSPNIEDSA-N 426.539 0.345 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(C)c1 745839481 QFPRFVYEJXJIOD-ZDUSSCGKSA-N 436.494 0.146 50 20 ICGD Cc1c(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748081427 YOTGDWNJFFYVSS-UHFFFAOYSA-N 430.852 0.738 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1-c1ccc(F)cc1 758041198 XFYJPTPJXUPQPN-SECBINFHSA-N 430.483 0.109 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)[C@H](C#N)C1 758749294 ABCIITYBWSOZQI-UKRRQHHQSA-N 427.465 0.966 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759693444 XXFJDRQELVCRIC-AWEZNQCLSA-N 446.957 0.449 50 20 ICGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 760130963 IQJLGSUERUMAQF-IAGOWNOFSA-N 442.538 0.855 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c(OC)c1 760277766 QRQILXXEGBQYMZ-UHFFFAOYSA-N 439.432 0.696 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnccc2C)c1 763508469 LYIAZSAHRMEXRJ-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CCn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)ccc1=O 763694582 JPTJWYSAQAYXSK-UHFFFAOYSA-N 437.250 0.796 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(OCC(=O)N(C)C)c1 764154676 SSBYGMREFFXROJ-SFHVURJKSA-N 440.456 0.552 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 764317640 MMIBSSLEPPZASU-UHFFFAOYSA-N 433.486 0.924 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427958 GQOPSDHKCZLXST-CXAGYDPISA-N 432.477 0.368 50 20 ICGD O=C(NNC(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccc(-n2cnnn2)cc1 779966096 ODOMGLGVTFLVRP-UHFFFAOYSA-N 442.524 0.841 50 20 ICGD COC(=O)c1ccccc1NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 780731731 ZZIQRWLRUMIKTG-UHFFFAOYSA-N 434.474 0.597 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(C(=O)NNC(=O)COCc1ccccc1)C2 790733461 XEFFKJLNVQUNNR-UHFFFAOYSA-N 432.502 0.910 50 20 ICGD NC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 799123385 XJXZGYROGQBKOU-UHFFFAOYSA-N 438.897 0.455 50 20 ICGD COC(=O)N(C)NC(=O)COc1cn(-c2ccccc2)nc1C(=O)NN(C)C(=O)OC 804123610 GHCWPKWETUSPAB-UHFFFAOYSA-N 434.409 0.324 50 20 ICGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 807547334 BYLXDMKAHLNURG-HNNXBMFYSA-N 438.959 0.308 50 20 ICGD COC(=O)Cc1occc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 809957563 OHTKRXROWDDELH-UHFFFAOYSA-N 435.458 0.854 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 810177401 QXXFSUDJINDOSL-UHFFFAOYSA-N 440.865 0.744 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2OCCC3=O)cc1 813033358 PFVWUYKWZSHLPK-UHFFFAOYSA-N 432.458 0.984 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 815778596 YVGFZDPMKSRISU-CYBMUJFWSA-N 436.266 0.959 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 914708351 WUNSXMZFJFJWMA-OAHLLOKOSA-N 441.454 0.757 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 916374351 VPYJAGQJIJHFTA-CRAIPNDOSA-N 443.481 0.825 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cccnc12 917728315 WNCPMFQCISXBEO-UHFFFAOYSA-N 425.430 0.842 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1Cl 921302589 ZUHSBGFPTMXRJD-UHFFFAOYSA-N 440.865 0.675 50 20 ICGD CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1321555544 WDWRPLQCDCTFRG-UHFFFAOYSA-N 425.493 0.925 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1337826827 TUJCBKJKJHPBJS-UHFFFAOYSA-N 434.522 0.878 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4n(C)c3=O)C2)C1 1777888553 BEHPJBUISZXXNH-SZNDQCEHSA-N 448.907 0.631 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccoc3)CCO2)C1 1779028424 LMHCAXUYXMMIDC-BTFLMBNSSA-N 425.445 0.435 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331014 CVHFMRKPYIGQSI-BBRMVZONSA-N 426.246 0.863 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781998366 ZCPBBVYVWWLOKD-HNSFDTNUSA-N 447.374 0.991 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1783877807 QGQLFTOVJFTKDH-RYGJVYDSSA-N 437.880 0.805 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783937535 UDCVGRMHQMZPML-QFIPXVFZSA-N 430.505 0.381 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1786546766 AUWONDLMLKZFKX-IHPCNDPISA-N 446.548 0.590 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1792871318 UQHLFYHRHUDPFT-NJBDSQKTSA-N 441.282 0.409 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1792877453 ZFMMEXXYWYTKJS-XNNFIENISA-N 437.924 0.404 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795325926 BEVNRZLTJCFHOO-CBKYIJDSSA-N 431.493 0.137 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405755 PLRDGTSQNXXVJU-VLEAKVRGSA-N 430.259 0.695 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)OC(C)C)C2 1796441927 HFBOLVCWRLOREY-YGADERNFSA-N 433.509 0.524 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cnccc2c1 1796979898 HRCNVYPQFLFJIU-HATOLVCRSA-N 439.516 0.811 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Br)C4)cnn2c1 1797420376 QDIDVLGHVGMFKW-ZMJPVWNMSA-N 440.273 0.931 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccncc2)[nH]n1 1798149344 DOBZZKGNJOFATH-BASYENTBSA-N 433.896 0.929 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1798474275 GAVMYFYYIBEKGB-ITGHMWBKSA-N 437.262 0.810 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)N1CCN(C)CC1 1799186567 KIDOUOQLXUIQHK-VXIBKDFQSA-N 426.634 0.063 50 20 ICGD O=C1CCc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cc2N1 1801148470 OUPHDQSJJNCWFN-ACDBMABISA-N 447.300 0.817 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)c(=O)[nH]c1C 1803141713 RLJKBXPDJYOTGL-BFYDXBDKSA-N 433.896 0.701 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCC4(CCCN(C(=O)[C@@H](O)CCl)C4)CC3)cc21 1805524211 LTYRFSQGWCIHOI-INIZCTEOSA-N 437.928 0.461 50 20 ICGD CCOC(=O)/C=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806298200 DIGPGSLYFWLFGA-MRHZIVIBSA-N 445.520 0.580 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1812865673 RPRCTSLIBCSTTH-PYJNHQTQSA-N 425.283 0.979 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(=O)oc1 1816642755 GWHHMONDWZULLQ-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)COC1 1817474319 DANCWQMTFVNUSZ-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)Br)CC2 1820201449 REVRRRRIEGEQNE-UISBYWKRSA-N 447.355 0.990 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807967 MFJAMBVZRGVMCZ-CABCVRRESA-N 439.877 0.585 50 20 ICGD CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccn1 1830738064 LJVGBQCHNDILFL-FOIQADDNSA-N 425.913 0.415 50 20 ICGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1831098204 CVNLHYFCCIQHJU-LJQANCHMSA-N 446.386 0.960 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831179340 VDUPQLPADDVGJX-FUHWJXTLSA-N 433.557 0.832 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833276088 GBWYOZKGIFFHPK-QZTJIDSGSA-N 432.304 0.626 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833535209 RKGHALOAKIWVCA-KRWDZBQOSA-N 438.956 0.891 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835672410 BDPZYUPKLXNIDN-GOSISDBHSA-N 445.358 0.510 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836170756 COZYRAIPBXJLCX-PBHICJAKSA-N 429.315 0.513 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836418948 IVEQICHAFAHABZ-XJKSGUPXSA-N 448.245 0.253 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839151678 APCZOGCMKPEKMG-IRXDYDNUSA-N 449.291 0.194 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nc1 1839200202 DIPWRFBTSGHSCK-PBHICJAKSA-N 446.273 0.851 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839962864 TXWPWEASJSTPLQ-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840029446 DRIDXDCCGDTLON-JDFRZJQESA-N 431.283 0.553 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840076879 MDUMCHZZUZJMKO-SJLPKXTDSA-N 440.896 0.047 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1840149789 ACWFBNJIYHESBQ-KUHUBIRLSA-N 445.875 0.553 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1840153402 NLLBTQWEUFFRCE-KZULUSFZSA-N 442.925 0.948 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840886236 XMEVUCXKCDGRMC-IFXJQAMLSA-N 434.917 0.286 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2nc(C)cc2C)C1 1842066906 LRHPLVBNIBMNAJ-XQNSMLJCSA-N 425.493 0.837 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1cc(C)nn1-c1cccc(=O)n1C)C2 1846361934 XVRWSNGWCBCHQP-HNNXBMFYSA-N 447.923 0.950 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](C)CBr)CC1 1847500324 AVAHYLQSUAOEKO-KBMXLJTQSA-N 429.359 0.383 50 20 ICGD O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NNC(=O)c1ccccc1 10733525 OYTZZBJXGBEPFN-UHFFFAOYSA-N 447.469 0.326 50 20 ICGD CN(CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)S(C)(=O)=O 106008565 CNGMWVYUUATREI-UHFFFAOYSA-N 446.532 0.201 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 726537112 JQYSAXYZQCVRGZ-NQUDRAQSSA-N 436.472 0.688 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc(OC)c1OC 727753348 ZKCUUXPVJUIXKO-MRXNPFEDSA-N 436.446 0.204 50 20 ICGD COc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1O 728330461 MJFRKODIEDCRRF-CNRGFGOASA-N 428.397 0.945 50 20 ICGD O=C(COC(=O)c1ccccc1N1CCOCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728338748 HEGVITYVAQWLLE-IBGZPJMESA-N 441.440 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 728382362 IPUMFXOTLNVVJW-CYBMUJFWSA-N 433.486 0.811 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2=O 728845110 GVARUUWOMRBHTP-LHSJRXKWSA-N 443.508 0.341 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732936878 VZDXSXSLLXRMRW-CYBMUJFWSA-N 439.475 0.974 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 741360805 LXXMZZKJQJRKMP-CQSZACIVSA-N 439.538 0.762 50 20 ICGD O=C(CCC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 742465349 KLKNYSGRCJAXOV-UHFFFAOYSA-N 425.507 0.675 50 20 ICGD Cc1cc(C)n2nc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)nc2n1 744620272 HWKFHVYXZNVFNJ-UHFFFAOYSA-N 431.478 0.519 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnnn2C2CC2)c1 745910216 MAINKCVKUSXGMV-UHFFFAOYSA-N 436.498 0.183 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)N[C@H](C)C1CC1 751619385 UJENIDFAWBOXPL-GFCCVEGCSA-N 442.563 0.624 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 756501234 CDZNQYNRVVRRRK-UHFFFAOYSA-N 427.465 0.800 50 20 ICGD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 759076671 USKRGTYJWRWIQG-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 761730681 WIXMKJNRLQSJAR-DSIZOQBWSA-N 444.513 0.925 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccn2)ccc1C 763467817 TUDGGLCQXFAFPB-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cn(C)nc2CC)c2ccccc2c1=O 763801102 FXOOOHWFZJKBSL-UHFFFAOYSA-N 439.476 0.892 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763916729 JXNFCTDNSBUYTP-UHFFFAOYSA-N 438.448 0.002 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 763921870 XJBJGENXQOZXCR-UHFFFAOYSA-N 434.449 0.694 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 763957823 LBPLKSPNNFWQCZ-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 763999405 WOJWDRCVSLOPNN-LLVKDONJSA-N 445.881 0.426 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764136545 RYMXJWDDGOZEEN-OAHLLOKOSA-N 438.440 0.229 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764349691 SQVPCTCBQMFGTF-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 770240119 MVWMDKRAJUYNPQ-AWEZNQCLSA-N 436.563 0.395 50 20 ICGD Cc1oc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 772187727 CGUTVCSMXXLNPT-UHFFFAOYSA-N 442.881 0.569 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 772195396 LLZABBZYOSGNGE-UHFFFAOYSA-N 443.847 0.441 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772967891 CGBKFVUKINNPOW-VIZYAEIXSA-N 435.864 0.807 50 20 ICGD CCOC(=O)[C@H](CC(C)C)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 782225494 RJCOTFWAPHDYDZ-KRWDZBQOSA-N 427.523 0.920 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC 782892492 AICQAOULTTVBNA-UHFFFAOYSA-N 441.444 0.928 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Br)cc2)cn1 783009823 ZMPIWRYSUDBGCU-UHFFFAOYSA-N 439.270 0.490 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 784004519 POQUFQKHMKRDPD-UHFFFAOYSA-N 440.441 0.737 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNc3cccc(S(C)(=O)=O)c3)c2)CC1 784841674 NZKBBUBNRUYTGC-UHFFFAOYSA-N 445.545 0.919 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNc2ccnc(N(C)C)n2)n1 784969970 DPCMLAPMKUEIHN-UHFFFAOYSA-N 438.448 0.987 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1Br 793448011 PSQAUINBDFTZON-MRVPVSSYSA-N 444.267 0.311 50 20 ICGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368865 IFSFLLUWUVEQLO-UHFFFAOYSA-N 448.457 0.855 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)c1 797675149 ANSMNPXFTMRIDF-UHFFFAOYSA-N 447.477 0.686 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc([S@](C)=O)cc2)cc1 797789383 GOXURKDTKMQFOL-NDEPHWFRSA-N 437.543 0.743 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 799101549 OZSNLDQPFBVUJP-TXPKVOOTSA-N 432.521 0.947 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)COc2ccccc2OC)c1 800595796 HAQBJEAWECBJSU-UHFFFAOYSA-N 429.433 0.403 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 800983388 IBOZXUIBHHAHRX-MRXNPFEDSA-N 435.448 0.913 50 20 ICGD CN(C[C@H]1CCCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)C1)S(C)(=O)=O 804869502 SFFNTBSAVLPXFL-SNVBAGLBSA-N 436.332 0.735 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc2[nH]ccc12 808934459 GPJNVSRFZBRPAS-KRWDZBQOSA-N 438.396 0.880 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1OC 810069204 XRQMUHAMONIONU-LBPRGKRZSA-N 446.426 0.855 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 810390748 XTXZVHPRLVAUHL-GFCCVEGCSA-N 427.339 0.392 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCSC3)CC2)cc1 810592093 KLROTGLERDOPGU-INIZCTEOSA-N 440.591 0.592 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3ccc(Br)nc3)c2)CCN1 812985649 GBYMOBKJJGYCSH-UHFFFAOYSA-N 447.293 0.858 50 20 ICGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 814194164 ASBLTIHHVGHBAE-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1cc(F)cc(F)c1F 815582585 KKTFWBVJWWLRNC-UHFFFAOYSA-N 429.380 0.797 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc2NC1=O 815751900 TYUJYNGZKLSPOM-LLVKDONJSA-N 447.473 0.738 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 825615470 YHSSPKKQOQVBCA-UHFFFAOYSA-N 449.489 0.191 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 912879830 GBSLHYNJLRDLNE-AWEZNQCLSA-N 437.449 0.877 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N(C)C 916562134 LXRRVCWYPMXKQM-UHFFFAOYSA-N 448.501 0.962 50 20 ICGD O=C(NNC(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1ccc(-n2cnnn2)cc1 918002072 OEZAVYTUKCTYRT-UHFFFAOYSA-N 440.489 0.926 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 919692403 JKFFNYCTKBDHTB-UHFFFAOYSA-N 443.460 0.448 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 919822368 PGQKQZKARWUUFH-UHFFFAOYSA-N 425.438 0.423 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 920929275 GTHFWWYNEGEHDD-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD O=C(Cc1cc(O)nc(S)n1)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 1248537848 LJUMYCMPUKFMML-UHFFFAOYSA-N 441.473 0.008 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)C1CCN(c2ncccn2)CC1 1251624393 XQLNZKXSVLMJRN-VYDXJSESSA-N 447.565 0.566 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc1 1261224517 NPPDRAHWWFQTIO-UHFFFAOYSA-N 441.531 0.389 50 20 ICGD O=C(NNC(=O)c1ccc(Br)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 1317715745 NVAGVJGWDCNZFT-UHFFFAOYSA-N 425.264 0.708 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(C)c2C(F)F)CC1 1318539977 UDJYOMUAJFNIOG-UHFFFAOYSA-N 429.453 0.446 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cncnc3C)C2)C1 1779666927 HUZCDKPSAIPSST-JAMLUQCHSA-N 439.476 0.363 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1CCCCO1)C2 1782208911 AHMBYWJYSAAINC-JBYIUTFZSA-N 438.569 0.833 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1783934173 BIOONVZAMBAHEC-JOCHJYFZSA-N 427.505 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1783935629 WSTIXJRKNAWXOH-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783973277 XGMKNAJROLVUBE-RFGFWPKPSA-N 449.415 0.481 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4snnc4c3)[C@H]2C1 1789207287 YXNFGQGRMKMZON-NHULGOKLSA-N 439.925 0.933 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(-n2ccnc2)ccn1 1789371675 DCWDUJLZSFHDBE-PLYYQAHHSA-N 433.896 0.460 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CC(c2ccccc2)=NN1 1790545648 QDYBHVPGLKHSKX-OBQKDBCYSA-N 434.924 0.332 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286841 MIOFEKQZQMZZEF-AJNGGQMLSA-N 447.374 0.370 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1792870308 BUKMLJSOSYXNPW-JFILPPLUSA-N 436.310 0.964 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1792872066 LDAWNPJUXNWECP-LSSIXWDNSA-N 443.298 0.182 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cnc1C 1794263451 SUIGQWDIDSAPTK-HGKCTWBKSA-N 438.488 0.214 50 20 ICGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737499 ONEPDMNCNGASGE-NPDDRXJXSA-N 436.317 0.763 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccncc13)C2)c1cccc(B(O)O)c1 1795741294 SMCMGPDSZLOBSP-OPMZPASUSA-N 445.284 0.432 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccn(C(F)F)c1=O 1796191815 BNCVKEVAUYBIAT-MUJYYYPQSA-N 445.231 0.489 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796299322 YGWBYBDBCUBSCD-DGADGQDISA-N 447.960 0.869 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)n1 1796657746 XWTNSKBLOCLMRC-YFXMYTFBSA-N 439.476 0.122 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796851298 WFEJYRXGKREIEG-PNEZKNQNSA-N 442.436 0.704 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102588 GJHAGFNCHACRKE-RDBQEKCUSA-N 441.282 0.552 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c(F)cccc12)c1cccc(B(O)O)c1 1798149269 LNHVASSUXDHRDP-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1799008918 MDTKYKCSGSOPJD-VTYHHJSWSA-N 436.317 0.836 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800785302 VMSZSBFHGBXQEM-QRJUGERDSA-N 445.944 0.575 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@](C)(O)CC(=O)O 1802324312 LPMLIVAYMNTYLG-ZTHRVVOXSA-N 447.492 0.374 50 20 ICGD COC(=O)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802451556 MGPAQBYNSDOCIH-REPLKXPHSA-N 430.310 0.742 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803035176 SHPIBDRIAOGUBZ-JONQDZQNSA-N 438.488 0.799 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1805252744 MFCICMMJLDHPFW-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807107935 WEAPHNDXIDSHRV-APWZRJJASA-N 449.276 0.273 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807118185 FYGRAKAHTCLCSA-DUVNUKRYSA-N 437.342 0.711 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365382 ORHOILAZSRKMKB-ICSRJNTNSA-N 437.305 0.696 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3nc4ccccn4n3)CC2)C1 1809966567 FRNVKJXMBFKRTC-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD Nc1ncc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)s1 1809976565 GDIGSJHMXYOKJW-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1811536199 RCLKNWYPVXQKNC-WIYYLYMNSA-N 443.272 0.595 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815489954 IANIZJQLTOYODY-IRXDYDNUSA-N 440.508 0.808 50 20 ICGD Cc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471036 AAUMENCLYXWECR-OAHLLOKOSA-N 440.294 0.869 50 20 ICGD Cc1nccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471950 ZJBYQGUFINERSY-GOSISDBHSA-N 434.265 0.808 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823792509 GSIFRLGYYLLNJR-OALUTQOASA-N 437.585 0.894 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)n1)CC2 1825998238 HCKLXCOBRSDWSM-HTQZYQBOSA-N 427.870 0.824 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1 1826345046 JXRAMODAKGSFRK-MGPQQGTHSA-N 437.566 0.979 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1830538445 FWJTYSAUBUMAIV-WMLDXEAASA-N 429.315 0.371 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538598 KOPUFQMOPYJDJP-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831868335 YKJXOIPACGDNAR-ACJLOTCBSA-N 443.342 0.830 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870830 GNYDEKQDXBSDRD-DLBZAZTESA-N 438.573 0.426 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1834421847 OZBIIEPFRGLHIN-UHFFFAOYSA-N 427.347 0.635 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352498 OLUBYXAZNPGGEX-INIZCTEOSA-N 449.943 0.563 50 20 ICGD Cc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939111 FPFTYIWUYJFKJQ-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1836280704 BZOYBBYSFWGRMQ-CZUORRHYSA-N 433.278 0.733 50 20 ICGD O=C1C[C@@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)CCN1 1836563347 GNIVGSYINWIXLF-AWEZNQCLSA-N 443.386 0.869 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839419466 CIOFFAFXGFZVBH-LPHOPBHVSA-N 425.844 0.367 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1840036135 GKVCBGRMHVLGAS-RVKKMQEKSA-N 443.342 0.759 50 20 ICGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152993 AOQCXATUPVYOII-AUUYWEPGSA-N 429.901 0.869 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840154781 GMAZKKIUOQLDRB-HNAYVOBHSA-N 432.901 0.206 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840184999 IQJADTUQYGVOTM-JOCHJYFZSA-N 449.552 0.098 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840234655 YPZLGSFOAZJFNZ-KXBFYZLASA-N 434.917 0.166 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353568 FAIQHZWRMNKEST-KSMMKXTCSA-N 445.944 0.550 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 1843383345 QXOAPCTYUQEAKD-ZIAGYGMSSA-N 433.933 0.983 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(C)(C)C 1843415512 UTRNWMAYUVDYQC-YSGZUTGPSA-N 444.536 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(OC(F)F)cn1)C2 1844263769 SMYMYVZIXQAERG-UHFFFAOYSA-N 446.414 0.812 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n(C(F)F)n1 1844264714 ZVATYJQGYZAHII-UHFFFAOYSA-N 433.419 0.716 50 20 ICGD C[C@H]1Oc2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2NC1=O 1844728573 IUTLXLSDZUFORT-CQSZACIVSA-N 449.272 0.217 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217421 YEUAUNDPBNNWHT-LLVKDONJSA-N 435.275 0.346 50 20 ICGD Cn1c(CC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc2ccccc21 14854325 CEVMBXLHOCUHEH-UHFFFAOYSA-N 446.467 0.335 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1C(=O)O 104757752 UYOWDUJHUBRIPV-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCN2C(=O)CCC2=O)nc1 730068288 IVGYAHJNFUXHHV-UHFFFAOYSA-N 426.499 0.277 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(CN2C(=O)CNC2=O)c1 730077390 WETRRQRAPWEVNP-UHFFFAOYSA-N 443.485 0.936 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3ccccc3F)C2=O)cc1 731328530 PVWMYVBRIAAPNP-NRFANRHFSA-N 428.420 0.991 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)O1 732261831 FSCJIARWVVPRRQ-KSZLIROESA-N 435.544 0.983 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732474923 ZGGDMDUVVNZERJ-KRWDZBQOSA-N 442.538 0.447 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cn(-c3ccccc3)nn2)CC1 735117547 WPJSOYVNZQVSIL-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(I)c1 740812357 FMCUJUAOAFQIRD-UHFFFAOYSA-N 439.275 0.906 50 20 ICGD CCn1c(NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742518794 FYTORFYMIREBBU-SRABZTEZSA-N 425.445 0.412 50 20 ICGD CS(=O)(=O)Nc1cccc2c1CCN(CC(=O)NNC(=O)c1cccc(C#N)c1)C2 744390366 FFJWTSOPCLMSPW-UHFFFAOYSA-N 427.486 0.749 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 744390467 HSBWUQRNYNUDBG-UHFFFAOYSA-N 441.513 0.716 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 746591505 MCAZMVDSZYSMHS-UHFFFAOYSA-N 441.473 0.974 50 20 ICGD CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1F 749773110 WBHUFYBNFGZXLM-UHFFFAOYSA-N 430.483 0.923 50 20 ICGD COc1cc(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1Cl 751208338 QUNAPSJCFREOBI-UHFFFAOYSA-N 428.692 0.945 50 20 ICGD COC[C@@H](C)n1c(SCC(=O)NNC(=O)C(=O)NC(C)C)nnc1-c1ccccc1 751302411 JBHUTOZTXJNZLQ-CYBMUJFWSA-N 434.522 0.917 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 751831988 MABJKKTUUGHMSO-CYBMUJFWSA-N 448.863 0.738 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 756730465 TYBTWNCHRBVJDG-IAGOWNOFSA-N 440.522 0.609 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1I 758036538 SDOQGTBWYPJSFF-QMMMGPOBSA-N 425.248 0.298 50 20 ICGD O=C(CN1CCN(c2nc(F)c(F)cc2F)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 759970405 TZAZRICSPNMLHE-UHFFFAOYSA-N 438.366 0.990 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)c1ccccc1 763431840 SZAIDFFGUKNRGF-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc4ccccc4cc3O)cc2)CCN1 763526616 JJSRAGQFHXWJEY-UHFFFAOYSA-N 447.451 0.881 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2)CCN1 763998716 SIOFYKFRFNUGHG-UHFFFAOYSA-N 449.265 0.113 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 764034303 NAJRMSOMVCLDHW-UHFFFAOYSA-N 440.478 0.756 50 20 ICGD CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764276221 ZXCROVOSEYHBIV-UHFFFAOYSA-N 449.485 0.880 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1S(=O)(=O)NC1CC1 764320857 MKGYPNGYSMYJDR-UHFFFAOYSA-N 448.476 0.903 50 20 ICGD CSc1nc(O)nc(C)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644250 SYNHMIWIESAKQF-UHFFFAOYSA-N 444.517 0.432 50 20 ICGD Cc1nn2c(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)c(C(C)C)nc2s1 766692101 FKUFBQADRVVPAU-UHFFFAOYSA-N 436.523 0.257 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2F)C1=O 771220232 SDXKFOSGZQWKSC-OAQYLSRUSA-N 444.419 0.828 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)c2)NC(=O)NC1=O 772884870 QLYNFUDPKKMZPM-HXUWFJFHSA-N 443.847 0.472 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 775222172 IWVHAQSZETYEBD-FZMZJTMJSA-N 443.298 0.936 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 778441984 YXLZQSZAWBYDFM-HNNXBMFYSA-N 433.465 0.857 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cccc([N+](=O)[O-])c1)CC2 784828666 QWGZNBYKBZSJEM-UHFFFAOYSA-N 433.446 0.925 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cc(F)c(F)c(F)c2)cn1 785086630 CCYPDNJNECGTOF-UHFFFAOYSA-N 427.387 0.060 50 20 ICGD O=C(NNc1nc2ccccn2n1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 791242682 IFAIGDAVIZCVCR-AWEZNQCLSA-N 431.434 0.934 50 20 ICGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNc3nccc(N4CCOCC4)n3)C2)c1 792649487 KFCXPQIRMITSOH-QGZVFWFLSA-N 428.449 0.967 50 20 ICGD NC(=O)c1ccccc1CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 795814236 NPDUTXUWUSOTGJ-KRWDZBQOSA-N 427.413 0.249 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1C 796126963 UBYLNJPMWDEURQ-CQSZACIVSA-N 430.596 0.983 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c(C)c1 796992099 MHDLJHWJUISGPZ-UHFFFAOYSA-N 448.863 0.938 50 20 ICGD COCCN1CN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1=O 800984713 YWUIXTMYRRUCAA-NSHDSACASA-N 429.271 0.705 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Nc1cc(F)cc(F)c1 802000176 MGCXAGKQXGUKTH-QGZVFWFLSA-N 425.392 0.733 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)CSc2ccccc2O)cn1C 805050594 BGYFPGGWLMVPMG-UHFFFAOYSA-N 441.487 0.578 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 806974834 VPGICYSLOFEOBF-UHFFFAOYSA-N 444.444 0.480 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 807380530 IZEVJKQLHQRYAT-UHFFFAOYSA-N 429.275 0.782 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 808010884 LGARCVMGDYKMIC-NSHDSACASA-N 430.483 0.644 50 20 ICGD C#Cc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 809957697 UPBPDPWIDTXNFJ-UHFFFAOYSA-N 427.482 0.693 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccn(C)n1)c(=O)n2Cc1ccccc1 814746165 RICXDEDHMHYFLZ-UHFFFAOYSA-N 434.460 0.312 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(OCC(F)(F)F)c1 815693442 XOSUIRLWLLUSSJ-LLVKDONJSA-N 440.382 0.876 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 816916242 ZZZMQZZMFJMCSY-MRXNPFEDSA-N 430.552 0.677 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1C 903962230 CEDWLMYWWZMXTC-UHFFFAOYSA-N 425.488 0.655 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 915925808 YDJQWSLWWPHXKC-KRWDZBQOSA-N 432.568 0.598 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 917125860 XZBGWWUAJGLNRV-UHFFFAOYSA-N 435.528 0.963 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c(O)n2)c1 918285190 CNFRXDFMVLUWCB-UHFFFAOYSA-N 432.418 0.395 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cnc2nc(O)nc(O)c2c1 919686842 VRXDHLGEXZDAEP-UHFFFAOYSA-N 437.460 0.409 50 20 ICGD Nc1cnnc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1Cl 1261204523 VOXUDSWZHWUEKL-UHFFFAOYSA-N 435.691 0.896 50 20 ICGD CC(=O)Nc1ccc(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 1321407043 JNXIKYGEPTWFGB-UHFFFAOYSA-N 433.494 0.786 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1 1326396561 HGIJNSQNIUGKPX-ZIAGYGMSSA-N 429.539 0.996 50 20 ICGD CN(C)N(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 1330177542 SADREJHYMAQCAW-SSDOTTSWSA-N 446.370 0.264 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778981895 CAIYDFUKKUZPCD-CVMHLPAOSA-N 429.477 0.643 50 20 ICGD Cc1ncc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779034807 VCGUBQJKNXPHKD-HXUWFJFHSA-N 444.517 0.136 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C)CC1)CCO2)NC(=O)NCc1ccccc1 1780970624 ZBCLUJJILICLCJ-HSZRJFAPSA-N 443.548 0.963 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC3CCCCC3)[C@H]2C1 1783861678 XKVZPLWIIKQQAH-WDSOQIARSA-N 438.569 0.688 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935696 XWUGZHCUYAIANC-QFIPXVFZSA-N 446.504 0.488 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786985238 UJKYLYVGVQGMCR-NYVOZVTQSA-N 447.300 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CNC4=O)[C@H]2C1 1788444188 OWXNNPHKWJSYNL-MGHWNKPDSA-N 435.908 0.777 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611710 SYUYFDLRPICFFA-SJWGOKEGSA-N 437.928 0.686 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C[C@@H]21 1791289098 JZBGXFZEULLPTD-IEZWGBDMSA-N 442.520 0.529 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791290639 FWCDIRRYRKSFAW-WDSOQIARSA-N 432.521 0.662 50 20 ICGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n[nH]1 1795957100 VQYFPVHMIQHJKS-GBQKICQVSA-N 441.492 0.309 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNc1ccc(F)cc1)c1ccc(B(O)O)cc1 1795987139 PIIKFWMFVSJASQ-ACDBMABISA-N 425.269 0.869 50 20 ICGD COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1F 1796190873 WMELOQTUDGJLCN-BJWYYQGGSA-N 427.241 0.475 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172065 XBZQKYNCUWMUEU-NXEZDXNNSA-N 434.924 0.947 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(O)nn1)C2 1798443083 QNSZNVCTFSLQPO-QDMKHBRRSA-N 439.476 0.065 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1801010781 VOONNZQHDANMLF-IOBPIQLWSA-N 449.464 0.164 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC2(CC1)OCCO2)c1cccc(B(O)O)c1 1801501690 PRGOMHJYTPNGQF-ACDBMABISA-N 442.321 0.552 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)C1 1802408138 UJTVTGQJHYUCEQ-YJVQVXSTSA-N 445.944 0.596 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnc1 1805463108 QHTPBMHDGOJVSH-RXVVDRJESA-N 430.273 0.790 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807353293 ITJYXTCVASUBEK-TUKIKUTGSA-N 433.831 0.667 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369107 AYOIVEOAGWZPAU-GHTZIAJQSA-N 446.272 0.028 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374192 JQOHFOPLQFOXRX-GOEBONIOSA-N 436.104 0.885 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccn2)[nH]n1 1819402038 JUQHWMCRXJMCMZ-OAHLLOKOSA-N 435.448 0.818 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821706043 SUPYGEIPSRULKN-SNVBAGLBSA-N 436.494 0.222 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1822413246 PMKXJAGDUHHYLO-MRXNPFEDSA-N 435.529 0.107 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1 1826353245 RVICUUFCRIGBFI-AWEZNQCLSA-N 443.342 0.943 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Br)CC1 1830374861 NERJMWKHQRHWBC-GZBFAFLISA-N 435.338 0.889 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830645746 FRWNBXCQSQTZSH-QFIPXVFZSA-N 436.553 0.584 50 20 ICGD O=C(c1cccc2ncsc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731039 HGISMPZLBZSFMO-DNVCBOLYSA-N 439.921 0.966 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306160 KTSFTPGJBLKPQT-CWIOURORSA-N 426.945 0.016 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n(C)n1 1833446022 ARGNQEYQISIURG-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835047690 ZOSVAKNBXXADHX-DLBZAZTESA-N 444.001 0.184 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1)[C@@H](F)Cl 1835080503 XDKGXOGPQRRLHL-OAHLLOKOSA-N 439.879 0.137 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835292839 MBAFHTBAWPOPIE-URLQWDBASA-N 441.322 0.960 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398689 QBQJMSDUWLPIQO-MSOLQXFVSA-N 438.352 0.011 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835761511 TUXIRWHEWGIDLX-GHTZIAJQSA-N 445.004 0.616 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836806714 WBMRPCKQPYAZBX-UHFFFAOYSA-N 444.337 0.594 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836919191 DWPHSXZOPUMHTK-MRXNPFEDSA-N 442.944 0.944 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837305535 DCBSRXDQWXQYTA-OFNKIYASSA-N 442.321 0.205 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1837711898 WFXNHAWMUQOHHY-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)O)CC2)CC1 1838103283 XITBADQBCHUGMJ-QKIXXSFTSA-N 433.509 0.500 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838280730 SJHNOOGBOSVGIZ-KSSFIOAISA-N 429.926 0.473 50 20 ICGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1838961309 FPQGDZLAZOESFD-FXAWDEMLSA-N 425.913 0.422 50 20 ICGD O=C(CN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199124 KBOXHZBQHDNOAQ-DOTOQJQBSA-N 436.322 0.619 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839330069 YUQQSDFYLNSYBK-KXBFYZLASA-N 448.850 0.958 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1839966208 XLQVLWMXTGYSJM-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1839966942 UVQFMKAIOANMEV-JKIFEVAISA-N 444.330 0.469 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840076878 MDUMCHZZUZJMKO-FUHWJXTLSA-N 440.896 0.047 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846152744 AHHNZRLBYRZCJS-KOSHJBKYSA-N 445.284 0.093 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1C 725879569 KYCONUKWVNFRIV-UHFFFAOYSA-N 431.478 0.248 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 726523675 TVEJQQVREFKQGI-SFHVURJKSA-N 430.486 0.676 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728889338 CSXQRZKYAMTAPQ-HNNXBMFYSA-N 446.533 0.516 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CCc2ccccc2O)c(C(=O)OC)s1 729963074 VPJWEHRONPULEA-UHFFFAOYSA-N 442.471 0.969 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 732260478 DSZOFQCYXLBWGS-XYJFISCASA-N 432.521 0.690 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)n(C)c1=O 732975127 AIMRUCSMSVJTKH-UHFFFAOYSA-N 444.839 0.671 50 20 ICGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(Br)s3)C2=O)cn1 735512026 KFEZFDWRORFVIE-VIFPVBQESA-N 427.284 0.994 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1C 736796101 IFXJTBAIXYMHIE-CYBMUJFWSA-N 445.563 0.985 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC 740851676 QITPQVFMLBPOJO-INIZCTEOSA-N 434.493 0.761 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNc1ncnc2[nH]cnc12 743471563 OMXIMSTZFKIAHO-ZDUSSCGKSA-N 447.477 0.526 50 20 ICGD CS(=O)(=O)c1nc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c2ccccn12 744857426 ZRXVKNQNKUTLGF-UHFFFAOYSA-N 441.425 0.227 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 746093399 FUVFMGCSTPJIDX-CABCVRRESA-N 425.507 0.742 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccc(F)cc2Br)c[nH]1 748074141 PYJNCSSHYBOLPZ-UHFFFAOYSA-N 434.247 0.437 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1=O 752014421 TZKSZIIPVWYHPU-JLTOFOAXSA-N 425.449 0.537 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccc3c2oc(=O)n3C)cc1OC 757808824 PSELRIYSMYBPHF-UHFFFAOYSA-N 429.385 0.767 50 20 ICGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 758355475 VNSPNNMVCOEIMP-UHFFFAOYSA-N 435.506 0.661 50 20 ICGD O=C(CN1C(=O)CCOc2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 758528915 ZVXOXTAELGYWNQ-UHFFFAOYSA-N 446.323 0.629 50 20 ICGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760196568 YWTMVJQAXYYGSR-CABCVRRESA-N 426.543 0.459 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763678713 HYJPDSWHNMNGPG-UHFFFAOYSA-N 443.391 0.042 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 763717946 DMFJJXYDDDGNEL-UHFFFAOYSA-N 444.391 0.754 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 763727629 KQZRFVSZMKQCSB-UHFFFAOYSA-N 441.488 0.204 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916560 GKEFXCXJUQNOJQ-UHFFFAOYSA-N 448.443 0.263 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)[C@@H]3CCSC3)cc2)CC1 764139875 BQJXBVGUCCYIJR-MRXNPFEDSA-N 427.596 0.503 50 20 ICGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1-c1ccc(Br)cc1 764204077 IJSJKSMBVXICJU-UHFFFAOYSA-N 437.298 0.806 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764285663 JCIROKCKXIEYTK-ZDUSSCGKSA-N 426.477 0.919 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 764423986 FCNGUYRVXMQGGP-GFCCVEGCSA-N 427.339 0.392 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 764512471 HIMULUCNTUHHAZ-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771605541 APCGXLXDCXXLDK-UHFFFAOYSA-N 439.877 0.983 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C(C)c2cn(CC(=O)OC)nn2)c1 772829723 ACZMHUPAULWZTQ-UHFFFAOYSA-N 436.494 0.636 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 773701413 GQJNPAXONOJRHI-LJQANCHMSA-N 435.440 0.654 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1F 773886440 WLZQNIOQGJFBET-UHFFFAOYSA-N 441.463 0.921 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 781780603 IHCQKAVJIOQPPI-MFKMUULPSA-N 429.271 0.404 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)CC1 782083517 SHEQFKKLWRDATL-UHFFFAOYSA-N 449.475 0.797 50 20 ICGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@H](C)O1 784002139 KESSWHNYNFIQSF-KBPBESRZSA-N 443.460 0.409 50 20 ICGD Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784003362 UTGOFWXILQTKPX-CQSZACIVSA-N 443.504 0.575 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784004511 PKDYOSSLLFYLFO-UHFFFAOYSA-N 444.444 0.680 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784216010 LYKNFLUPASWAAZ-UHFFFAOYSA-N 431.474 0.569 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1C 784950312 ZYSBLBDZTDAELN-OQLLNIDSSA-N 440.460 0.675 50 20 ICGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 787125130 DQRPDJJGGLGFCY-IRXDYDNUSA-N 435.956 0.897 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCc3ccccc3C2=O)ccc1Cl 788721509 VWPHFLKAEVYTKT-UHFFFAOYSA-N 436.877 0.447 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)c3cc(Br)cn3C)ccc21 789731459 IAMFQCSBQFGOQM-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 792376238 SAURYQMNXJZYLH-KRWDZBQOSA-N 425.445 0.486 50 20 ICGD CCOC(=O)c1cc2cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2s1 794587985 TUQCVCKRKHHEQY-SECBINFHSA-N 449.532 0.325 50 20 ICGD CN(C)c1ccnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 797641611 HQTSCSYGKXFJPI-UHFFFAOYSA-N 449.493 0.030 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)=NN(c2ccccc2)C1=O 802066641 ULSUYSIZZHDPDU-GFCCVEGCSA-N 444.473 0.581 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1Cl 802076792 XGCYSUDVYYMYHZ-UHFFFAOYSA-N 446.873 0.222 50 20 ICGD CC[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@H](C)S1(=O)=O 804867905 OALIBPCIHGWMLG-RYUDHWBXSA-N 431.540 0.232 50 20 ICGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 808068308 STFKEQZTEKMROY-UHFFFAOYSA-N 447.535 0.235 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)nnn1Cc1ccccc1F 815568324 CZYJMQCAIYZGOP-KRWDZBQOSA-N 438.419 0.864 50 20 ICGD CCCCN1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc21 815692023 HQYYTACBTPZIKF-OAHLLOKOSA-N 425.493 0.789 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 823200742 MDNAAFXFQZFTPT-UHFFFAOYSA-N 444.941 0.993 50 20 ICGD COCCN1C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1=O 914461788 VDVDICQHTDCAPQ-NEPJUHHUSA-N 428.283 0.859 50 20 ICGD COc1ccnc(NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)n1 914762894 ZLRXKYBGTRIHAS-CYBMUJFWSA-N 441.897 0.815 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COCCOc2ccccc2)cc1 915357405 DXFOCCOXAZHWGY-UHFFFAOYSA-N 435.502 0.859 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1337271643 RDXNNFZEPPWPAE-UHFFFAOYSA-N 430.490 0.644 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036809 GCRRICHSLPVEFS-ZHRRBRCNSA-N 446.552 0.107 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037389 ZHIVBYZRKYHNAM-QZTJIDSGSA-N 444.319 0.365 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365631 HZUDGBCNIASQTL-OTYXRUKQSA-N 425.795 0.521 50 20 ICGD COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771115 DOQHFOATIJZULU-IVMMDQJWSA-N 425.295 0.854 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)nc1 1780963481 VEAURTKRWAGIJO-YWZLYKJASA-N 425.913 0.977 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781218131 DWORJDXQHCDBQJ-YJBOKZPZSA-N 435.974 0.505 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1782864840 XAQUGYIROIXJQB-JUALLIRVSA-N 442.426 0.993 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1783341374 BNMBCXXSOOKHGT-WFASDCNBSA-N 425.345 0.425 50 20 ICGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784512139 XSCJNKYWHHIFLY-RMIALFOJSA-N 441.319 0.563 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 1784740271 TXKXEDLNIHQCJR-JOCHJYFZSA-N 434.512 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C(C)C)n3)[C@H]2C1 1785212165 CREUBWLKPDDBDF-AJNGGQMLSA-N 428.917 0.969 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979824 RXJULAOBPUPLJR-QRTARXTBSA-N 432.669 0.520 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccccc34)[C@H]2C1 1787854819 OSUUMPMDMVXVAT-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)CCN1 1788149295 HLUQJJONLWUKIM-INIZCTEOSA-N 435.289 0.640 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498322 WSLJLYLGSQUICN-PNSWWYFWSA-N 442.354 0.974 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1788761300 OBWGAVBTYQUCJL-XEZPLFJOSA-N 436.541 0.620 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1791252423 LMPSBXRYVSIBJI-AJNGGQMLSA-N 443.953 0.711 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)on1 1791290632 FHEOXDYZNRDSDI-MPGHIAIKSA-N 435.525 0.764 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1791295552 MLOHFNTWFPHOGJ-QHZLYTNSSA-N 437.349 0.572 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2)[C@@H](O)CCl 1792978638 KIPTUDUNZVLNDW-ZWUHOBOKSA-N 446.729 0.576 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1O 1792979680 AZJCSZCCBRYUDT-RMHZUWNSSA-N 425.869 0.154 50 20 ICGD C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793821296 QZNQOVGDCOHPQD-RBZXCYDUSA-N 433.534 0.629 50 20 ICGD C/C(=C\c1cccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732899 RFOXIYBPNJKCMW-QGSPRNKOSA-N 440.330 0.735 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796192710 PPTOBCFOGQQTQL-WKCHPHFGSA-N 449.316 0.634 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1799268190 QXGAQLCJEPDUQN-NXEZDXNNSA-N 434.924 0.947 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1800979410 FSLHEPPFZARVKA-MGGVOPSTSA-N 434.924 0.596 50 20 ICGD Cc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801008811 CPZJBACHOOOLTQ-YAACOUJCSA-N 429.521 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1NC(=O)C3)C2 1802338552 NUROHKUWYSBCPP-MUJYYYPQSA-N 427.505 0.806 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805246988 VTUAQHSREGEVGR-RXVVDRJESA-N 445.288 0.493 50 20 ICGD NC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)c1ccccc1 1809967199 ZHEDNACFRZDOAE-JOCHJYFZSA-N 449.360 0.954 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978534 WVTPSVQMISKNJA-UHFFFAOYSA-N 439.277 0.331 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1810301623 ARDUXMZQJGINIO-APHBMKBZSA-N 434.859 0.934 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815062326 JKVOCKASGDYJJX-GHMZBOCLSA-N 427.603 0.499 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356546 JEQRKRGCSLSHSI-RHSMWYFYSA-N 443.334 0.622 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cncnc2)n[nH]1 1815974993 IDMHKULJVAGIQW-MRXNPFEDSA-N 428.497 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816727961 DBBMFIDOSVBFKU-LLVKDONJSA-N 448.505 0.548 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1F 1817470907 LSDJWNBAEWFIKF-OAHLLOKOSA-N 440.244 0.880 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819710518 RRKSRXADNHXUMV-PBHICJAKSA-N 443.334 0.622 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCO1)CC2 1819799986 IKQZHSJAMISXTI-YGRLFVJLSA-N 430.490 0.546 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cncn1 1822772552 WERFVIGAAIWODR-HIFRSBDPSA-N 431.501 0.628 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824398381 SFFVOHJZRYXHAN-OXQOHEQNSA-N 443.353 0.514 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cccn1 1826855851 WCGMQYMFOWEREV-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049309 QWWJHKRCDNQPSF-RTWAWAEBSA-N 443.353 0.514 50 20 ICGD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827335734 QHHILQKMHCMYFY-AWEZNQCLSA-N 429.307 0.354 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731830 NXSWHCMMEHTDFS-XOBRGWDASA-N 442.896 0.374 50 20 ICGD C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(F)(F)F 1832155416 XYGZBFNBRAWOIJ-KGLIPLIRSA-N 447.248 0.541 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278403 HFOAJPOEPDJHJT-DYVFJYSZSA-N 428.283 0.173 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1833509693 VOSHOQLODVQQFB-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833532133 DZTHPFGORHOJSM-FQEVSTJZSA-N 449.788 0.959 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833637756 UURKWCUFECKNTI-KSSFIOAISA-N 449.838 0.353 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834823780 KHHYEFQAMXKYEI-DGCLKSJQSA-N 446.111 0.918 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826403 OXNVUGJITMVCMT-KBXCAEBGSA-N 443.342 0.994 50 20 ICGD O=C(CC(F)(F)C(=O)O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835070502 ACKWFZWTXXKOTJ-ZDUSSCGKSA-N 425.860 0.268 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1835081715 BHXUXKJKXMEISM-MAUKXSAKSA-N 431.984 0.728 50 20 ICGD COC(=O)C12CC(C(=O)N3CCC(OC4CCN(C(=O)[C@H](O)CCl)CC4)CC3)(C1)C2 1836718865 FGURVNSEOCLWBR-YMTQGWHGSA-N 442.940 0.928 50 20 ICGD Cc1c(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cnn1C 1837545046 PLSYAMRJVFYOQB-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837676436 KBMZHLBSTLZVSL-OXQOHEQNSA-N 443.617 0.599 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862516 ZJAHBFKFGLYURK-MRXNPFEDSA-N 429.949 0.079 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838551130 ZMNYATFGIHCCGR-UHFFFAOYSA-N 444.536 0.872 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839143361 UNDBJZZRLPESCT-LIRRHRJNSA-N 426.901 0.474 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)on1 1840031022 DCZFDPNTNXXEHP-DYVFJYSZSA-N 430.299 0.765 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840034512 NYGRNIHNLCLDBI-KZULUSFZSA-N 443.342 0.809 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840035922 KMBSRSJWSVVYHM-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840052454 GYQKZFOEQSQVRB-PXNSSMCTSA-N 428.888 0.814 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cc1C 1840153601 VATARQSVAONKLO-BEFAXECRSA-N 428.917 0.535 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1840155484 DEMSMEDFACSAEH-LAUBAEHRSA-N 440.924 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 1840185212 MIMTXVQVJYIYND-VXKWHMMOSA-N 436.553 0.562 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2c(F)ccc(F)c2F)C1 1841772855 UKCCAQPGWNIYCK-UHFFFAOYSA-N 432.207 0.843 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1nccn1C)C2)NC(=O)NCc1ccccc1 1845038462 DWRORZJUSIPXHB-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1846966221 VDHCSKFZXUOFAB-OAHLLOKOSA-N 439.557 0.866 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071702 JBSVPLOXVXQWSX-RDBSUJKOSA-N 436.372 0.092 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 725740802 IARRIAXPCAJHSR-UHFFFAOYSA-N 436.515 0.627 50 20 ICGD Cc1c(C(=O)NNC(=O)C(=O)N2CCCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726161894 XURPCZOSYMSORB-UHFFFAOYSA-N 449.512 0.542 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 727365686 WUYHQWVZJYSNLB-LLVKDONJSA-N 434.927 0.450 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1cccc(C(F)(F)F)c1 729276737 LDTYJAHFOIZZTF-VIFPVBQESA-N 433.412 0.898 50 20 ICGD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730457676 KVIQWLJVOFEIPV-CHWSQXEVSA-N 448.588 0.933 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n(C)c1=O 730570350 IUCHUHBYPWZHLP-UHFFFAOYSA-N 425.854 0.146 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc1 733163315 JDCGBNMGOQBYMZ-VQCBNXJZSA-N 438.488 0.934 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1 734241160 FTJXBAQKXSISCG-UHFFFAOYSA-N 426.499 0.668 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 740850861 CJSFGSRFBCYMDV-IHRRRGAJSA-N 426.539 0.345 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cs1 743250096 AEYJRLHNFWRGAV-UHFFFAOYSA-N 432.505 0.451 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 743637579 NMQUDAHOLAVBBP-HNNXBMFYSA-N 428.445 0.781 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744460762 MJYZFRUUSDZNKI-HNNXBMFYSA-N 433.486 0.975 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 744612269 YKTFHWQWBGWGDN-UHFFFAOYSA-N 434.408 0.825 50 20 ICGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 745848215 RXEUEVKSMFIREE-MUUNZHRXSA-N 438.531 0.488 50 20 ICGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746758931 KXADEWNVZSVXMN-UHFFFAOYSA-N 431.474 0.690 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1)S(C)(=O)=O 746765376 QFHSYALTFOUYSA-UHFFFAOYSA-N 430.490 0.803 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)c1 747438157 QQHXLDRTMUVCEX-UHFFFAOYSA-N 446.532 0.074 50 20 ICGD Cc1ccnc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 755847032 KUJNUTHBQHWHDC-OAHLLOKOSA-N 426.520 0.615 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncc(I)c2)C[C@@H](C)O1 757723086 UWIAYIMDMRXOTJ-PHIMTYICSA-N 432.262 0.947 50 20 ICGD COCc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)CC2 757790854 WJTHVSFAMNUVLM-LBPRGKRZSA-N 438.514 0.147 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(F)c1 763805629 TYCXNSIUWSUERZ-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCc1ccco1)CC2 764169140 LKLDXEFOOCQONL-UHFFFAOYSA-N 434.474 0.247 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(Br)cc1F 764285861 NXGJSKXYBUMYLY-UHFFFAOYSA-N 442.201 0.427 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3ccnc(N(C)C)n3)ccc21 764325803 GKKUFURKJZOXPO-UHFFFAOYSA-N 441.496 0.956 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 764345207 OWVZCQNGZISRCI-UHFFFAOYSA-N 428.430 0.503 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 764398891 IJMQHKLDHHUOJF-HRCADAONSA-N 448.520 0.942 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 764512466 HIMULUCNTUHHAZ-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767630086 YLJGNFKBVBAMOZ-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD Cc1sc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1[N+](=O)[O-] 767849546 FYANJVWZYDNOMT-UHFFFAOYSA-N 448.342 0.953 50 20 ICGD O=C(NNC(=S)Nc1ccccn1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 768585366 HNLKUGFLMYXSOV-UHFFFAOYSA-N 426.549 0.779 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc21 770973838 IMNZVFBHDRAFMC-LLVKDONJSA-N 437.507 0.817 50 20 ICGD O=C(NNc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 773653847 MOBMPLFUHMYEGX-UHFFFAOYSA-N 433.446 0.911 50 20 ICGD O=C(CO)NNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 777781748 DSOLYYZIJYYFOL-AWEZNQCLSA-N 433.490 0.252 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 780971571 OICDLEIBMDXCQW-GFCCVEGCSA-N 446.551 0.963 50 20 ICGD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003171 AZQOSQDMPCVKCH-UHFFFAOYSA-N 443.485 0.921 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)n1 784833772 OISWPHPJEVBJFK-UHFFFAOYSA-N 438.510 0.688 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)[C@H](C)O)cc1 792163391 YVXIMZCANBKDTP-KSSFIOAISA-N 434.518 0.550 50 20 ICGD NC(=O)Cc1occc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 794743378 ZACJICYIADNBKQ-UHFFFAOYSA-N 434.474 0.557 50 20 ICGD CCOCC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 799294543 FBBWVSPBLHWBPT-UHFFFAOYSA-N 439.534 0.604 50 20 ICGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NNC(=O)Cc1cccnc1 805068085 DHQPJZJOFAKFQY-UHFFFAOYSA-N 425.898 0.895 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 806978289 VDGJOHSHWXBXAH-UHFFFAOYSA-N 441.506 0.782 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3cccc(F)c3[N+](=O)[O-])c2)CCN1 812992125 ZBLHCOYCFLYDAK-UHFFFAOYSA-N 430.396 0.748 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCN2C(=O)CCNC2=S)c2ccccc2c1=O 816805804 JEJGFMFMQSTDAB-UHFFFAOYSA-N 430.490 0.235 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 831939929 HUIPZYIUMXUTKY-UHFFFAOYSA-N 438.414 0.870 50 20 ICGD O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1csc(N2CCOCC2)n1 842753254 CHUXBSBGTHZGFX-UHFFFAOYSA-N 431.474 0.704 50 20 ICGD O=C(CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 856544398 MGPZAVRCUFSZGP-DLBZAZTESA-N 426.433 0.206 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 884310938 MQLHNLNNPXDRQQ-INIZCTEOSA-N 441.487 0.086 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912921685 RXTMQOBWHURDCL-HZPDHXFCSA-N 440.566 0.977 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCC[C@@H](C)C2)cc1 916452481 MLAMNNJJQLZATM-MRXNPFEDSA-N 425.555 0.678 50 20 ICGD CCn1c(SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 919883526 DLWMJCKZJLPYGQ-SNVBAGLBSA-N 444.564 0.636 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(OC)cc2)c(C(=O)OC)s1 1322324263 FSXRVOFRXHMLST-UHFFFAOYSA-N 428.444 0.953 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1322845463 MCRMIRDABSKXPP-UHFFFAOYSA-N 440.499 0.724 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1779031150 MMDWJBNDCKAOJM-NRFANRHFSA-N 440.460 0.308 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(C)n1 1779909295 FTJXJCQEZDOUSV-JOCHJYFZSA-N 438.488 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779996768 CQXYCTBVAMTSKQ-JOCHJYFZSA-N 438.488 0.259 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1780096907 LXKJDAFKOWWZTR-LAUBAEHRSA-N 444.444 0.492 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1780895855 XDCWNXZLCFBHFZ-UGSOOPFHSA-N 430.910 0.507 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782172381 APWNPWGKOZXSBZ-IQUTYRLHSA-N 427.885 0.874 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS[C@H]1CCCCO1)CCO2 1783936448 VRMZLEAAFUHRRW-VQTJNVASSA-N 442.582 0.449 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nc2ccccc2o1 1790346699 GEGQIVUZPPQNES-KNBMTAEXSA-N 449.272 0.415 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1791055439 VTNZXTZZSMUMJX-DHMWGJHJSA-N 426.311 0.762 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)C1 1793106759 JRAWMKKBLAPPJX-JKJDWNRSSA-N 445.944 0.860 50 20 ICGD CC(C)c1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)no1 1794271899 UGNGYNZWOAXCCA-BTTYYORXSA-N 441.492 0.686 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)c(=O)[nH]c1C 1794311843 RZTGNDBYDGRKNI-LSCVPOLPSA-N 431.262 0.280 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(OCF)cn1 1794728642 UNKVGWWVUFMRGM-CLLJXQQHSA-N 443.439 0.347 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)cc1 1795415082 CCEAIWTWQFMFQH-DLTLXFJOSA-N 432.901 0.757 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccc3[nH]1)C2)c1ccc(B(O)O)cc1 1795734578 SKZZPXMCZSLQDX-HBCWATKFSA-N 439.302 0.426 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1)C2)c1ccc(B(O)O)cc1 1795734817 UKFVSQFNKHWUGW-UPHUGPLXSA-N 440.330 0.362 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347253 GRDABQVWJUYMDG-QCMRWSPLSA-N 429.271 0.265 50 20 ICGD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522175 IPDAIGIVTOJWMJ-YVWYUNDQSA-N 448.476 0.723 50 20 ICGD C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097581 PRSDFHWXPICKOQ-RUIQPXLYSA-N 429.521 0.498 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007668 AKECCBGIKDOGBW-MUTWKMIISA-N 435.315 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2 1801012600 BJJDYXZTOJUDEZ-USGNIVHTSA-N 438.475 0.470 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)cc1 1801145230 CKFXRJASBFJETR-SFNKJDCFSA-N 438.908 0.859 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1803014460 DYOMBTAVOAQTQI-PVXIVEMSSA-N 436.310 0.994 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnc1 1803308414 OILMADWIBQGJML-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1812349509 NCJZUIKNRYOMQX-PMUMKWKESA-N 435.868 0.262 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@@H]1c1cccnc1 1813068583 OFWDOWLRMOGUAH-WOIUINJBSA-N 444.580 0.945 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344092 HFWUJZUETQVQRS-ILHIWHGASA-N 449.363 0.207 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472003 BBOYPAPQKVEOSC-NMEJYPJZSA-N 446.338 0.554 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)no1 1817474707 WZDPKZQKGKZELL-INIZCTEOSA-N 438.253 0.330 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1819401916 XFUBRUAQRXZQNV-KRWDZBQOSA-N 449.475 0.747 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1 1822414663 KCZSZRPKSQBFHV-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 1822414873 MMYPSDCHEHODSA-LBPRGKRZSA-N 447.456 0.720 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055949 PFFBMLTYOQTXQR-BEFAXECRSA-N 429.326 0.111 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)C1 1827056236 BPDYFBSRRXKRLR-IFMALSPDSA-N 441.381 0.942 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCCO)CC1 1827679207 QRLDDLAHKLVULW-JWGRYVKWSA-N 447.536 0.749 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)n1 1828925143 GDQGLIPMWMNLPS-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1830357747 FPPWRGXZLKKJCK-LJQANCHMSA-N 427.885 0.421 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830443470 HGUXIGHTBHWHTI-UQASEVPWSA-N 440.924 0.855 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2cccnc21 1830730765 DLHISAPQRBWWJI-OXQOHEQNSA-N 436.896 0.243 50 20 ICGD Cn1cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc2n1 1830735618 JEAXSGWBHVFFGT-XLIONFOSSA-N 436.896 0.243 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1831875571 ZCZPQBGUCSLVNW-QZTJIDSGSA-N 435.569 0.505 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCC(=O)N3CCCC3)CC2)CC1)[C@H](O)CCl 1833308236 LWDKIBHGNIDDEX-GOSISDBHSA-N 442.988 0.560 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)n[nH]1 1833821077 SOAZCZUVZIJRCW-LJQANCHMSA-N 426.901 0.947 50 20 ICGD Cc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833944377 QHRMAJYDLXEVFU-NRFANRHFSA-N 444.318 0.120 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819013 GKKFSPNUJCZOKY-GOSISDBHSA-N 448.358 0.390 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1835063908 KMVVSFVTOMCCGH-XLIONFOSSA-N 426.897 0.294 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(F)n3)CC2)CC1 1835907903 YDJJTQHKOIAHSO-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc2cccnn2n1 1836076895 RJTFGPCLZKTBDC-SFHVURJKSA-N 434.928 0.514 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418874 CQAMQZVBKSUACB-QZTJIDSGSA-N 448.303 0.799 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154369 MEGZKTBEDPCBKE-VHSSKADRSA-N 436.336 0.300 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203523 NPWMLJDWWCISMT-CKEIUWERSA-N 447.305 0.666 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648471 NLVKZHNJEBANGO-OTRWZCATSA-N 446.342 0.656 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1)NC(=O)NCc1ccccc1 1842864632 ZOMVCHRTGLZMJX-UHFFFAOYSA-N 447.565 0.163 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011585 TXKOZQXBPARFEU-PDGQHHTCSA-N 431.257 0.219 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845505146 WFUJOELTBKMNCH-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846483167 RCPFPXCZJRVPGS-OLZOCXBDSA-N 429.901 0.716 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847271787 AUOHNSVGGAIDQC-JVPBZIDWSA-N 437.504 0.506 50 20 ICGD O=C(COC(=O)CCNc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1COc2ccccc2O1 11315142 JYQYRUYUBUVODB-QGZVFWFLSA-N 444.400 0.927 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c2ccccc2c1=O 17193490 PNLABETUFBHQSS-UHFFFAOYSA-N 436.453 0.544 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 24258240 UGPMNJWALZUSLX-UHFFFAOYSA-N 441.487 0.347 50 20 ICGD N#Cc1ccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)c(F)c1 725859313 ASWJDRFQUSGCNA-UHFFFAOYSA-N 435.423 0.850 50 20 ICGD CC(=O)NC1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 726276131 JSMLHPJPIUGZGM-UHFFFAOYSA-N 430.553 0.976 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 729407922 KHEXUGJZNUKZSO-MHLFYXQLSA-N 437.518 0.893 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cccc2ncccc12 730226365 IPQBGDCKIRXSSJ-UHFFFAOYSA-N 441.425 0.251 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)COc3ccccc3O)cc(C3CC3)nc21 730781404 LRZGLLJKVYDQFX-UHFFFAOYSA-N 439.428 0.940 50 20 ICGD O=C(NCCCNC(=O)c1cccc(F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 732246579 VDHBHIFYBWRBOE-UHFFFAOYSA-N 443.483 0.983 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2c1=O 735833402 CQEGCBCSOKPNNC-HSZRJFAPSA-N 435.484 0.814 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)COCc2ccccc2)c1 737757077 ZZFPBKSMAFLEHL-UHFFFAOYSA-N 436.442 0.786 50 20 ICGD NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)COCc2ccccc2)CC1 738475250 MENAOLLBVMIIAE-UHFFFAOYSA-N 440.504 0.831 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C#N)cc2C)cc1 740809917 KJYJGKIQHPHNSG-UHFFFAOYSA-N 436.515 0.805 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 740812261 AETNKLCRNBNONR-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 740903953 XGJHVATWVOOMHU-QWHCGFSZSA-N 445.567 0.588 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c1 742300813 QJPSTLPIBDFOLA-IJEWVQPXSA-N 440.547 0.577 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)COCC(F)(F)F)cc1 743341616 PJQFBFSNDZZGHS-LBPRGKRZSA-N 440.444 0.913 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744457046 MBYUKOAKFLWBCT-IZZDOVSWSA-N 442.453 0.947 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 744576959 KVELLSJKTIYWIF-UHFFFAOYSA-N 426.341 0.856 50 20 ICGD CC(C)c1nc(C#N)c(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)o1 746299194 UVKRCLMNJWMAEK-UHFFFAOYSA-N 432.462 0.547 50 20 ICGD O=C(CN1CCCS1(=O)=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747779816 YRDDLCVPTYIABC-HXUWFJFHSA-N 442.541 0.796 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 751208848 IJUDQODWSIHFEM-UHFFFAOYSA-N 425.474 0.789 50 20 ICGD Cc1nc(C)c(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)n1 754025624 QNFMEVFGTKXADG-UHFFFAOYSA-N 447.517 0.977 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 755278155 YSVMRNDSQQFTBD-GFCCVEGCSA-N 436.450 0.109 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 755735485 WDGFWHWEWXPEHI-UHFFFAOYSA-N 437.449 0.826 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755847797 XRIFNFSIIFLATK-UHFFFAOYSA-N 432.824 0.761 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c1 757782169 YVGRUZMILPFQSA-UHFFFAOYSA-N 436.490 0.741 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3 758027880 APMFWCFCYPRMFM-SECBINFHSA-N 441.535 0.293 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1ncccc1C 761276395 WVGJHZOCYDOMLE-UHFFFAOYSA-N 428.492 0.784 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763574495 BZQHBHPMTINSOY-GFCCVEGCSA-N 444.419 0.907 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(Cl)c3)cc2)C(=O)N1 763748164 NVMHEEDMPDZCHZ-CYBMUJFWSA-N 428.832 0.945 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cn2)cc1 764002159 JODBYUACUJNLPK-ZDUSSCGKSA-N 432.458 0.703 50 20 ICGD O=C1CSc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2N1 764006044 IUEMIYZNQXOEKP-UHFFFAOYSA-N 428.426 0.902 50 20 ICGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)[nH]n3)c2)cn1 764097126 ACKGEEUILGKXOK-UHFFFAOYSA-N 437.416 0.774 50 20 ICGD CCOCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764204750 UCBSUAQTPTXKHK-UHFFFAOYSA-N 431.287 0.512 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OCc2ccccc2)c1 764227267 MKJHZLVKQYIZLJ-CQSZACIVSA-N 448.501 0.598 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cc1 764264539 UXGPSFPDGABOSF-UHFFFAOYSA-N 431.474 0.217 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 764276059 YBOVFQQJGFPNBN-UHFFFAOYSA-N 427.417 0.477 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc3nonc23)cc1 765026044 CGHKWFZNMJSOOJ-UHFFFAOYSA-N 439.475 0.161 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2cc(OC)cc(OC)c2)(N2CCOCC2)C1 767895535 GFOCHTUKMXGDOF-UHFFFAOYSA-N 436.509 0.918 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cc(C)[nH]n1 768276672 LEZGQHALZZWFAV-CQSZACIVSA-N 425.536 0.888 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCC3CCN(S(C)(=O)=O)CC3)nc21 770370499 SAWCVNZXGCMBBC-UHFFFAOYSA-N 440.530 0.585 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 773656177 KAWVPMAGHMOYCJ-UHFFFAOYSA-N 442.432 0.947 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cn2)c1=O 773675825 LXPKUXXZEALRMU-UHFFFAOYSA-N 427.339 0.907 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC(C)(C)C)CC2)cc1 778378565 CYZIGPKQOAKIMF-UHFFFAOYSA-N 426.539 0.264 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 784003187 BNSSTMGDTYLHIG-UHFFFAOYSA-N 445.501 0.096 50 20 ICGD COc1ccncc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230887 TVPKRPDVSALEBV-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD CC(C)(C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)C1CC1 785689983 WWYUDHCSYQGBCF-UHFFFAOYSA-N 443.547 0.588 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 785721189 ZNQSLFSRVFYPMR-MSOLQXFVSA-N 440.456 0.304 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 790394314 PLJJPKXOQHMGPW-UHFFFAOYSA-N 431.536 0.516 50 20 ICGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 792015452 ANGYREWLDKIBGD-JOCHJYFZSA-N 439.472 0.660 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2nc3ccccn3n2)c1 792395913 WGVAERSDBQXPFW-LBPRGKRZSA-N 431.478 0.888 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1Cl 802073090 WSVLLCFKPBEMBV-UHFFFAOYSA-N 446.873 0.222 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 804024547 BENDOJALPLNPTR-UHFFFAOYSA-N 446.533 0.699 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3nccnc3C3CCC3)CC2=O)c1 805466977 JAXRDTBOWXOMDW-ZDUSSCGKSA-N 430.490 0.888 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1OC 808197618 JFPIIVVRPVDFAJ-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)c2ccsc2S1(=O)=O 812652352 FOOXWUVWTXIATR-ONGXEEELSA-N 426.476 0.709 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 814102836 UULUCRBQVGNBNP-NSHDSACASA-N 449.323 0.958 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccccc2OCc2ccccn2)c(=O)n(C)c1=O 819845825 QXSOCUAKARTULR-UHFFFAOYSA-N 440.485 0.695 50 20 ICGD COc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 831300299 ZQAWYODZVGISBT-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD Cn1c(CC(=O)NNC(=O)NC[C@]2(N3CCOCC3)CCSC2)nc2ccccc21 916636915 PHBMTSNYMYSZMB-HXUWFJFHSA-N 432.550 0.654 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 917735721 ZHKUGZDSYXFTPT-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N[C@@H]1CCS(=O)(=O)C1 919884455 JBKAHOQYCONDDK-GFCCVEGCSA-N 446.441 0.207 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2Br)nn1)N[C@@H]1CCS(=O)(=O)C1 919887118 XLISTNAVHJVJEC-SECBINFHSA-N 443.283 0.161 50 20 ICGD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919961118 SGGADDIQTXSDRH-LBPRGKRZSA-N 432.524 0.351 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1779034936 XZJKYAGOTKFCID-QVKFZJNVSA-N 426.477 0.191 50 20 ICGD CCC(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)CCO2 1783091082 XLJRBNYFLAFWTC-HXUWFJFHSA-N 433.417 0.943 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)s1 1784690597 AEBKWYDLDMGIBO-PEAOBZDDSA-N 435.550 0.668 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784802119 IDGPJHYTMYNAHX-KKUMJFAQSA-N 425.913 0.546 50 20 ICGD C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975411 QUXBEDALTNYJPI-QRJUGERDSA-N 445.944 0.645 50 20 ICGD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nc1 1794789995 PHSNVZGFRMUQHB-QDMKHBRRSA-N 437.504 0.712 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190352 QKSQPOGEFDJGCL-BJWYYQGGSA-N 431.298 0.143 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CO[Si](C)(C)C 1798627340 CIPFGAASZCZJQS-YVSFHVDLSA-N 428.558 0.971 50 20 ICGD Cc1cc(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798916187 HVHJELWDPXWWSQ-XEMDLRDOSA-N 437.500 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)s1 1799046377 AAWPMAWXCAJUPP-IFOZYUSPSA-N 444.937 0.921 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1799266110 VWSUZNBFHXNWJV-YIDVYQOGSA-N 446.976 0.836 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1800638981 FRIRVJRDESSLCV-AKIOZOGOSA-N 425.327 0.845 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)C1 1802408137 UJTVTGQJHYUCEQ-UPYQZRRNSA-N 445.944 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802682416 LVBOAMDPQYKDBU-VYDXJSESSA-N 425.917 0.612 50 20 ICGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1802902279 KMLUJSVXZWHXSI-GOEBONIOSA-N 438.912 0.895 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1807528482 JDHYHPHQMWSZCC-KKSFZXQISA-N 443.508 0.395 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CC1(F)F 1809526159 YHUGTKQVNVNKTE-RYQLBKOJSA-N 429.232 0.736 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(CO)on3)CC2)C1 1809978038 PQBVDMHMKCKRFZ-UHFFFAOYSA-N 427.266 0.005 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)c1ccc(B(O)O)cc1 1814182425 UMMVJIKUKIVFDM-HNNXBMFYSA-N 429.307 0.475 50 20 ICGD Cc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1816411208 ZHVCKXFSACXLTG-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819262287 SVIZURHNUANPKP-AUMHUTNHSA-N 446.338 0.554 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1822861159 WXRJYMHDAZDXHG-ZKANADHPSA-N 448.332 0.843 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCOC2)n[nH]1 1822950472 CEVSMCWFFAEJIB-BLLLJJGKSA-N 427.465 0.751 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)CC1 1823770408 DIZSOTFCRFLXGW-FPOVZHCZSA-N 440.305 0.926 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=O)C(F)(F)F)CC2 1826009585 VGHJBRHUQHIOQD-JGVFFNPUSA-N 442.847 0.987 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1827054764 LPZHYGYYOQVXRE-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827703324 SFOKWFSIYDNBDP-HXUWFJFHSA-N 443.353 0.372 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719827 LTSQWSKLYBYNSU-WIYYLYMNSA-N 435.908 0.547 50 20 ICGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)C(=O)c1ccccc1 1831146099 ZPBDBFCQJCPNMH-FXAWDEMLSA-N 441.887 0.749 50 20 ICGD CN(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cn1 1833312613 SJTOGUNTHLNTIP-GOSISDBHSA-N 437.972 0.933 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C1CCC(CO)CC1 1833719769 VBOOYEYMDTXGNF-RJYAGPCLSA-N 429.989 0.956 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834694353 YBMCJGHCLCGFNT-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858988 LIGQLCUFIPPJBC-ZBEGNZNMSA-N 431.287 0.359 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837847382 CFYSJRZOAGXBCY-IERDGZPVSA-N 445.369 0.352 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968349 NYAKUGVXSVHVNE-HNNXBMFYSA-N 443.346 0.845 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197740 HLSNPWBLXJIYCJ-DZGCQCFKSA-N 425.251 0.087 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839901256 SXGGFLFQKIAONJ-FDDCHVKYSA-N 446.353 0.653 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1840151105 VOFVPVGKBUBKAP-RZQQEMMASA-N 447.960 0.247 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183710 VMBCSDNFHMEHJR-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840483476 OVDPOGNZMCBWJE-PBHICJAKSA-N 446.273 0.355 50 20 ICGD CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CC1 1841350255 RBKYCSRNRUEDET-AWEZNQCLSA-N 445.944 0.552 50 20 ICGD COCC1(C(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)CC1 1841596251 AQZBPOBVEMFJLJ-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010905 SYUYKCKHOHJYSK-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131115 WUKCHDNRFXJMKK-NSHDSACASA-N 445.339 0.829 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)Br)C2 1846561590 RREFRCNSERWAJP-SMDDNHRTSA-N 426.315 0.444 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccccn2)CC1 21001159 JIJMVCSGTLGUAF-UHFFFAOYSA-N 446.485 0.730 50 20 ICGD COc1cc(C=NNC(=O)C(=O)NN=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 254819599 WPJHOKCESFRJHU-UHFFFAOYSA-N 446.416 0.733 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 726076727 AGLDTLMBAGITHD-HNNXBMFYSA-N 444.579 0.632 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc[nH]1 726629913 DTGDZKVWYBTTHC-AWEZNQCLSA-N 426.882 0.662 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Br)ccc2F)c(=O)n(C)c1=O 730569201 QVWHSMOSQMFNPM-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 732197290 NURGELMCFYNRRF-CQSZACIVSA-N 429.543 0.570 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)ccc2c1=O 732260500 DZZRZPIYJRSGBZ-CHWSQXEVSA-N 433.534 0.965 50 20 ICGD CCc1noc(CCCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 735116662 BHTOSKGGBQOBRR-UHFFFAOYSA-N 437.526 0.429 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C 736152959 NHKKVTFFTRSCSD-OABJIQBASA-N 443.548 0.708 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN(CC4CC4)C3)nc2)CC1 739035324 MMRUIUBBNCWDAY-MRXNPFEDSA-N 437.570 0.128 50 20 ICGD C[C@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCOCC1 739047855 FQZUWXJVSLVORK-LJQANCHMSA-N 432.569 0.497 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 740813208 XTRRMNBYLDBTHG-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 742037220 UHZIQNRPCYHKDK-GFCCVEGCSA-N 432.506 0.575 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 742489368 AYQHMQVVWQVNLY-HUUCEWRRSA-N 425.507 0.877 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc2c(c1)OCO2 745991249 SSHSFZXSDDCTRO-UHFFFAOYSA-N 433.442 0.980 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)N1CCOCC1 745996359 UPJMSCJWPFBMQK-UHFFFAOYSA-N 440.522 0.947 50 20 ICGD CS(=O)(=O)N1CCC(=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 747628360 OAPCQQSSZBYKLG-UHFFFAOYSA-N 428.536 0.612 50 20 ICGD O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)C(=O)N1CCCC1 748247053 IXHLIYXMEJYQPR-UHFFFAOYSA-N 437.250 0.205 50 20 ICGD O=C(NC[C@H]1CCCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753256728 YMPQZADCMAAAAE-OAHLLOKOSA-N 442.563 0.937 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)n1 756854407 FBLLDEYRHZDXJK-CQSZACIVSA-N 435.510 0.786 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)c2ccccc2c1=O 758829624 KRONRELFVBAUQL-UHFFFAOYSA-N 425.449 0.509 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 763573378 ZYGDRGKETHTEQA-QGZVFWFLSA-N 433.392 0.777 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1F 763680497 FKBHOCBQUYEPJQ-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 763917609 ZGWRPNBDVOPFEO-UHFFFAOYSA-N 429.368 0.218 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1OC1CCCC1 764001939 HBJMDUHLQGZTDD-NSHDSACASA-N 427.454 0.668 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cccc1-n1cnnn1 764002344 LDENYSSLNRYQBF-UHFFFAOYSA-N 447.253 0.471 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765119441 QOMOPVFKHUCRNH-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 766635637 BIMJWQDHFKOTFZ-IBGZPJMESA-N 426.448 0.735 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCNC(=O)c2cccnc2)cc1 772047405 PVONWNHSVGNDDX-UHFFFAOYSA-N 447.517 0.368 50 20 ICGD CCOc1ccccc1C(=O)NCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772193640 XZCYSYUGWWBXBK-UHFFFAOYSA-N 432.864 0.932 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccnc(O)c2Br)c1 773635407 DKMVRSBDHHXLJR-UHFFFAOYSA-N 433.218 0.968 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(F)cc2)CC1 777765327 KUVGZUJYBNDEPQ-UHFFFAOYSA-N 430.502 0.985 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc(C)cc3O)ccc21 778712514 HNYPBRMDULYJLX-UHFFFAOYSA-N 426.429 0.636 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)c1 785330496 JHNUYNPMFQLICR-UHFFFAOYSA-N 434.474 0.930 50 20 ICGD CCn1cccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1=O 789293968 NLRKFOKOCQUYCG-UHFFFAOYSA-N 449.537 0.026 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)nn1 789819313 PCLAYCCLIWMPQH-YJBOKZPZSA-N 435.444 0.629 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnnn2-c2cccc(F)c2)cc1 789869412 OPBCQAOJQRFKDX-UHFFFAOYSA-N 446.464 0.797 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cnc1C 793350037 DOUATPCMBMGQML-UHFFFAOYSA-N 439.446 0.826 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnnn3C)c2)cc1 798824095 ZFRMBBFPTYECLW-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 803492733 KXSMRRTVGLJRFH-OAHLLOKOSA-N 445.501 0.632 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c2ccccc2c1=O 807540063 NSBKFFZOSAOCQX-CYBMUJFWSA-N 442.398 0.141 50 20 ICGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 810386244 RJMHWCQEUHNETK-UHFFFAOYSA-N 431.355 0.620 50 20 ICGD COC(=O)CCC[C@H]1CCCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 814877296 MHQMBAIEWLIMTQ-CYBMUJFWSA-N 432.481 0.439 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc21 815566079 IIFUVJSKDNUJQT-UHFFFAOYSA-N 426.376 0.430 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1OC 816828201 WBBWJYYHVYKUQK-AWEZNQCLSA-N 428.511 0.551 50 20 ICGD O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)NNC(=O)[C@H]1CCc2nncn2C1 816875884 KCYPZPCJZCPUGA-LBPRGKRZSA-N 441.473 0.645 50 20 ICGD CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 919879742 CCGWPCPZMVVIEH-UHFFFAOYSA-N 435.481 0.910 50 20 ICGD O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887144 ZQALQKSHNAQVKF-NSHDSACASA-N 445.910 1.000 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cn(C)nc2C(F)(F)F)CC1 1251902110 CFTKINRXXRLKIZ-UHFFFAOYSA-N 447.443 0.527 50 20 ICGD O=C(COC(=O)c1ccc2nnc(C(F)F)n2c1)NNC(=O)[C@H]1COc2ccccc2O1 1324026807 JWNOLBGRMFNXDB-CYBMUJFWSA-N 447.354 0.811 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1 1779030617 DIOATYJNDRYCEM-QFIPXVFZSA-N 441.463 0.510 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1779545344 FCAKNTQQNZXSDW-IMFGXOCKSA-N 443.617 0.002 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CC=CCC1 1780680404 WCVLCVIMHQZOKI-XTQVGHSUSA-N 426.322 0.850 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1ccco1 1781330870 IIHBVBWYEBARLA-XJKSGUPXSA-N 432.246 0.530 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1782207250 XFDBYLKLXWHKQN-UIAACRFSSA-N 444.601 0.968 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1783878093 VADMMPYETRUTAI-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783934132 ZPCLWNGSVUXTKA-QFIPXVFZSA-N 432.521 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cccc(O)c3)C2)C1 1784127199 PIDSCFCJVYWKMA-JOCHJYFZSA-N 432.521 0.528 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1784663758 BTYXSLNFLXFASR-NRFANRHFSA-N 427.461 0.273 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cs1 1786984465 JKHWUFKXPOMUBP-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21 1791292639 ZULCHCBSKDUDDQ-QAETUUGQSA-N 426.583 0.482 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)C2)[C@@H](O)CCl 1792979093 TYWQAQNJDWUVDN-RERORNDZSA-N 441.315 0.948 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)cc1 1793109883 IKHWOOFEICMJDA-IVSAIRAKSA-N 428.938 0.871 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)C(C)(C)C 1793190135 XIOLELQIWYQBSG-XRGAULLZSA-N 432.359 0.912 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793631401 GCGSRWOGZLTOHN-DGADGQDISA-N 445.944 0.839 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793731229 USRFDPQBXIUMIT-MAUMQABQSA-N 449.195 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)s1)C2 1797749829 XQFCWTYKPWVYRC-CULMDFNYSA-N 433.465 0.403 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3ccsc3n1)C2 1798440531 OXDIZPWZNCJCFS-CLLJXQQHSA-N 439.501 0.960 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ccccn3n1)C2 1798440535 ZTBABCZFIWIHPG-BTTYYORXSA-N 434.460 0.293 50 20 ICGD C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1798625657 JAZWJKZROWMEDT-MUJYYYPQSA-N 431.631 0.902 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)C1 1802262536 LHLHZBDBVKOEDI-HSFUPAIVSA-N 436.553 0.977 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnccc1F 1807825584 PFPBLYKJNGQQBU-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1813071411 PSMPJGQGYHFAGU-AUUYWEPGSA-N 429.481 0.203 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncccc1F)CC2)c1cccc(B(O)O)c1 1815360379 HCUFSWYAHWOXQT-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817115670 KCBJEHBESVRBAS-TVQRCGJNSA-N 438.934 0.320 50 20 ICGD Cn1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1817560562 SWPSFRSKTFVJBD-GOSISDBHSA-N 436.281 0.372 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200226 GGKVOBNTHCRTDK-AQXNZCSYSA-N 439.432 0.624 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830532932 BBOFEIWWNDZMHO-SIIHOXLZSA-N 448.358 0.389 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833260615 RIRJLPBXQLOLER-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833264496 HJWOPPBPXKODGT-JQFCIGGWSA-N 445.402 0.312 50 20 ICGD O=C(/C=C/C1CC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833323773 KWWLCRHNAXCAEI-VOTSOKGWSA-N 425.338 0.518 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833532134 DZTHPFGORHOJSM-HXUWFJFHSA-N 449.788 0.959 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836623867 ZOMWBCBWXFWWIG-IBGZPJMESA-N 445.988 0.901 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837020517 QTQADULFBOFLTB-KXBFYZLASA-N 437.884 0.053 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837311931 QFFUWUIOXWAYPE-XMSQKQJNSA-N 436.553 0.584 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838168780 GNWJXSLBLRMNRF-XIKOKIGWSA-N 433.839 0.684 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339081 CBZIEDYBMMLKLG-YJBOKZPZSA-N 442.310 0.564 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839151468 SIXXMDJWPWGRED-MSOLQXFVSA-N 433.288 0.946 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840200728 QXLSTARBTMTQSE-DVOMOZLQSA-N 439.372 0.340 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C)NC(=O)NCc1ccccc1 1847964059 QTRSSCYUGUTXNS-UFYCRDLUSA-N 442.564 0.629 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NNC(=O)c1cccs1 24819429 KRIGDCHJFVFJHZ-UHFFFAOYSA-N 444.485 0.794 50 20 ICGD O=C(NCCOC[C@@H]1CCOC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731762609 GLNXXRHFKVQGKN-OAHLLOKOSA-N 440.522 0.468 50 20 ICGD Cc1cc2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)c(C)n2n1 735118535 WIOCLBXCRFHJMO-UHFFFAOYSA-N 444.521 0.434 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 745257754 ATFRNDJFMBVLPH-UHFFFAOYSA-N 447.878 0.676 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 746300082 OFTVZTZUGOPDGI-UHFFFAOYSA-N 447.473 0.605 50 20 ICGD O=C(NNC(=O)N1CCC(CN2CCOCC2)CC1)c1csc(N2CCOCC2)n1 746512704 WBWDVDVJIXNVGV-UHFFFAOYSA-N 438.554 0.378 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(Br)c2)cnc2c1c(=O)n(C)c(=O)n2C 747901798 CSNWCVOCWCBPGV-UHFFFAOYSA-N 446.261 0.778 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1C 755515952 ORVXUCMZEVTAFW-UHFFFAOYSA-N 447.521 0.762 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756523262 CSQWRDNHOWGULW-LLVKDONJSA-N 432.524 0.351 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763525982 GQRNWLKMYCXIKB-UHFFFAOYSA-N 432.458 0.598 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 763558577 MCZWDVHIFHYDAZ-UHFFFAOYSA-N 441.368 0.811 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763576590 CRLAMZLMSBNQDO-QGZVFWFLSA-N 440.412 0.878 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1C 763611659 BUNPXDZWURBUGA-UHFFFAOYSA-N 425.449 0.936 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1S(N)(=O)=O 763644024 DFEXHERDMGMYNZ-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c2ccccc2O1 763784229 BUSQHHPPXPEDQJ-CQSZACIVSA-N 429.454 0.965 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)n[nH]1 764098296 LHNKVOAHFIBBJG-UHFFFAOYSA-N 436.494 0.503 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCc2cc(F)c(F)cc21 764258849 AUUOGYSFVYRAMU-UHFFFAOYSA-N 430.415 0.708 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)ccc1-n1cnnn1 764260164 REKUICDCVJFFFF-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc(Br)c1=O 764281255 OMYSKCHHOXSRQW-UHFFFAOYSA-N 437.250 0.572 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 764325354 KWYGTKBJSHAOEH-CYBMUJFWSA-N 426.495 0.230 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 765318792 QKZUKEROXVHDDP-UHFFFAOYSA-N 448.480 0.007 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1 766846991 UYYLVQCWSALGKG-UHFFFAOYSA-N 437.544 0.619 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n[nH]1 768282104 XENSKFPHGLJKAZ-UHFFFAOYSA-N 442.457 0.344 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccnn1-c1cccc(F)c1 770771846 PAZSBWVVISMVCY-UHFFFAOYSA-N 435.379 0.387 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3cc[nH]c23)c1 773494613 VRMWIWIDCTXXRT-UHFFFAOYSA-N 429.458 0.818 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccc(C#N)cc1 773693150 WJALHYAEUFZYIT-UHFFFAOYSA-N 430.490 0.956 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)NCCc2cccs2)[C@H](C)O)cc1 779503833 UTWUZIBPZNLXPK-BBRMVZONSA-N 440.547 0.657 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Nc2ccccc2C)cc1 783417604 WPYHOUHQMXKDOX-UHFFFAOYSA-N 449.489 0.711 50 20 ICGD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003754 ADHFSZRVKQMTKF-GFCCVEGCSA-N 429.433 0.324 50 20 ICGD CCc1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)o1 784004966 MHCCBGGWOYMPIK-UHFFFAOYSA-N 442.457 0.876 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794060862 QFFCGEOOHZYURY-UHFFFAOYSA-N 448.501 0.601 50 20 ICGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 795312422 OSSMOHHBZZQZAM-UHFFFAOYSA-N 425.488 0.593 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c(OC)c1 800623056 FEUVTMJYTSDHIQ-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)N1CCN(C)CC1 807380910 VKQULFAJINLGQM-NSHDSACASA-N 428.471 0.028 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)COc1ccccc1C#N)C2 807514651 LYRJXKVUTQEOPO-IRXDYDNUSA-N 428.493 0.351 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CCCSC3)nc2)CC1 807594721 CJHAFKFZCSTCFW-AWEZNQCLSA-N 428.584 0.787 50 20 ICGD NC(=O)N1CCC(=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 812382624 PRUQQFVZYOGBAK-UHFFFAOYSA-N 437.522 0.287 50 20 ICGD CC[C@@H](CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OC 812591838 VVDQGLSUWBNXEV-INIZCTEOSA-N 442.538 0.396 50 20 ICGD NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 849207488 ABFNCXDSQUBDIM-UHFFFAOYSA-N 435.849 0.954 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155395 CYGOYJUNKLPJAD-UHFFFAOYSA-N 435.853 0.055 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1C 915598179 KJWSKRAKOQOBFD-UHFFFAOYSA-N 449.514 0.877 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3ccccc3OC)C2=O)cc1 919820542 NLIPITGDXOHOOP-QFIPXVFZSA-N 440.456 0.861 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 920234323 NRZSHOQJIBCGFK-UHFFFAOYSA-N 432.458 0.408 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1 1248654413 BVUXXYVUMMNHJH-UHFFFAOYSA-N 430.490 0.893 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)CC1 1319413886 NEWJLUDGXXCFSZ-UHFFFAOYSA-N 432.543 0.789 50 20 ICGD O=C(c1ccc2nncn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778595853 LJJGTLOFYSYRKB-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD COc1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032514 MBXQEZAJRHGLKN-QFIPXVFZSA-N 439.472 0.451 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1782171965 IHAIGPMUJOOWLR-BASYENTBSA-N 438.974 0.435 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)c2n1 1784091376 QKEAQPOPFFQTMO-YUDUHTQSSA-N 436.896 0.765 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]21)c1cccc(B(O)O)c1 1786986739 CSKQUIMGXKEDPU-VJBMBRPKSA-N 448.328 0.375 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)ccn3C)[C@H]2C1 1789226509 OKGGBNPFUDCICA-DSPQJCBJSA-N 426.311 0.762 50 20 ICGD N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1 1789570839 YZZQVQFZPKSPMO-JBACZVJFSA-N 433.273 0.145 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCSCC3)C[C@@H]21 1791292267 MFXGZPNOCXBFRH-ULQDDVLXSA-N 426.583 0.482 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792979990 AJPNTLFVFWQMOM-UOHMRFDXSA-N 430.860 0.646 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2)[C@@H](O)CCl 1792982818 QCOVJOOXXZZGJG-IFOZYUSPSA-N 443.909 0.876 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)[C@H](O)CCl 1792983589 PWWSZTDSKNYHLL-QEPAVKMUSA-N 426.853 0.006 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)CCOC1 1793115482 PBLUYSZPCGKHRS-YJVQVXSTSA-N 445.944 0.908 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CC1)NC(=O)NCc1ccccc1 1795345494 PPDJUSDBAJTZFG-HATOLVCRSA-N 443.548 0.722 50 20 ICGD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc2ccccc21 1795734113 CVKKVDNWDKZPLR-OPMZPASUSA-N 447.300 0.375 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc2c(c1)CCNCC2 1796190350 QFGHNTIIKZZTRA-WKCHPHFGSA-N 448.332 0.015 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1798205193 OGSRXPQCYLFLPH-BAESOJJISA-N 432.304 0.937 50 20 ICGD CC(=O)O[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)C 1798440515 NGJYIXYNZVTVPW-BASYENTBSA-N 431.493 0.525 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1800975044 GWPSUVPPPRQJKF-FQLMCAECSA-N 433.933 0.697 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981283 RUBWNSKRAGHNKE-MLYANYNQSA-N 426.477 0.404 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803139246 VLWVLTUXWWPGHO-HBFSDRIKSA-N 437.972 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnnc2)[C@@H]1c1cccnc1 1805492438 KBQFNUVPCMUXDO-UZLBHIALSA-N 425.493 0.564 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808434325 YYRIHNRPCMXBLT-FQELHTAISA-N 446.552 0.327 50 20 ICGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1815599865 VFNGMUYIDFJZSJ-NOZJJQNGSA-N 445.249 0.644 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815817721 UJDNQWFCXDQVDR-QWHCGFSZSA-N 425.833 0.806 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCOC2)[nH]n1 1819404311 GRGAKHORPZYEDE-BLLLJJGKSA-N 427.465 0.751 50 20 ICGD O=C(CN1CCOC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055923 OGJRVFNSVWCZCA-IBGZPJMESA-N 443.309 0.052 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1 1827384105 UNROIPPCEQLOTP-MQBJUPHKSA-N 442.501 0.260 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829801093 BFUJOSCYWIQSFL-VPWXQRGCSA-N 440.928 0.048 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830724005 BQMZOUCCTMZOHG-RDTXWAMCSA-N 432.304 0.713 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833691525 XAJNDJPFGOHBGK-INIZCTEOSA-N 441.960 0.420 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834826190 FPXPBTAMMACJRP-KRWDZBQOSA-N 430.299 0.767 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836621649 FGSOCFLCBHYCIU-OAHLLOKOSA-N 442.944 0.848 50 20 ICGD CC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837819124 PVRBIKOXAWJCKH-UHFFFAOYSA-N 439.463 0.953 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838941362 IMLOZJDXVDBPEI-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839142108 FDIQMKLTWAJIIE-JXFKEZNVSA-N 429.945 0.863 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839964316 NMPRJLNGTNQNGR-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1839967060 YZTKYFRCNVHCQT-SUMWQHHRSA-N 447.326 0.570 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840034088 ZZYPMBFJLQICEA-FZKQIMNGSA-N 443.342 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840151577 GUULORDCTVCAIT-APWZRJJASA-N 428.917 0.063 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840153941 GGZUWAVVDFTNCN-DYESRHJHSA-N 443.972 0.715 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ncn(-c3cccc(F)c3)n2)C1 1842170145 ZGOASUCUANZMLS-UHFFFAOYSA-N 443.483 0.596 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416619 GYLDEXCRNCGXSC-HZHRSRAPSA-N 429.477 0.833 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCN2Cc3ccccc3C2=O)C1 1843870907 MUXXRGYLSYHWPN-UHFFFAOYSA-N 447.300 0.230 50 20 ICGD Cc1ccn2c(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)cnc2c1 1844265031 NBEFCUPEPQJQEG-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 15888607 NUSJEOBUNFZKCV-OAHLLOKOSA-N 436.424 0.909 50 20 ICGD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728380390 RVBGFESMHZISDW-ZFWWWQNUSA-N 443.547 0.445 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCOCC2(C)C)cc1 728399063 CDUSQEADKGNUIM-UHFFFAOYSA-N 441.554 0.057 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 728953758 XEDWBJUUAGLESM-UHFFFAOYSA-N 446.489 0.914 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCCN2C(=O)CNC2=O)c2ccccc2c1=O 731116419 AAADDQRZMVREPG-UHFFFAOYSA-N 443.464 0.083 50 20 ICGD C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 731220289 BGMQNAUTLPYCFX-JKSUJKDBSA-N 448.524 0.063 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 745858280 OFTRQTOBYOXSKY-ZBFHGGJFSA-N 439.538 0.134 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746097994 DVTHPNZMSKVFIV-BBVCAZISSA-N 445.472 0.796 50 20 ICGD Cc1c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cnc2c1c(=O)n(C)c(=O)n2C 747719501 QOGUYIYXUIZIHZ-UHFFFAOYSA-N 425.489 0.918 50 20 ICGD O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 747982422 ALZXTUSUIHKLLM-UHFFFAOYSA-N 437.485 0.968 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 755814060 FQXGWJCWVACLQY-LBPRGKRZSA-N 442.505 0.571 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(CCN2CCSCC2)cc1 756274854 VRFOSISCFVRGNF-HNNXBMFYSA-N 426.564 0.865 50 20 ICGD COCCn1nc(C)c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 757872140 SICINDFCCVIOKY-UHFFFAOYSA-N 438.510 0.863 50 20 ICGD O=C(NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 759197922 YEBGLHHLDYILKL-OAHLLOKOSA-N 429.926 0.936 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 763645765 ASRUAJHMZYJIHU-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1 763658853 FFVRMWUZAFMQRW-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1F 763674970 RNSNSKADUUNNAO-UHFFFAOYSA-N 448.432 0.407 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 763714330 UEMQBKXXEPHDQB-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 763804469 UFHUITYYOYLUPZ-UHFFFAOYSA-N 441.400 0.887 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)on3)cc2)c1=O 764003562 HITADXXELQCZFX-UHFFFAOYSA-N 447.411 0.626 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1)S(C)(=O)=O 764155019 VTGNZHWHHYVSNQ-MRXNPFEDSA-N 432.458 0.172 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccnc12 764156440 PEOQGGNCGRPNIC-UHFFFAOYSA-N 438.448 0.374 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3cccc(F)c3)CC2)cc1 765755745 RRQKEXRSYOCXIT-UHFFFAOYSA-N 441.507 0.829 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccn1 766648334 JJDGOEFTFVBUND-UHFFFAOYSA-N 425.489 0.755 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1F 769652454 ITHJFDOODHUNKF-UHFFFAOYSA-N 447.466 0.681 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 773494546 UJLBHPTUPZOGNA-UHFFFAOYSA-N 444.469 0.349 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1coc(C2CC2)n1 776733071 HSTPPZVGYPZYBA-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD COCCC[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 777995447 WBJQEIIVVOGNPD-KRWDZBQOSA-N 440.566 0.511 50 20 ICGD O=C(NCc1ncn(Cc2cccc(F)c2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1 780854968 CIDMUCKYZFLIOZ-UHFFFAOYSA-N 436.411 0.585 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc1 782146025 SRYDHXRZXHXZAP-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD O=C(CC1CCC2(CC1)OCCO2)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 788095649 DZFGFGHIDUEOMR-UHFFFAOYSA-N 444.532 0.915 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3CN(C(C)=O)C3)c2)cc1 788493382 UGASYPVIPINBMU-UHFFFAOYSA-N 446.485 0.735 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 792015557 ZKDRTMMXCJLBKB-GOSISDBHSA-N 438.362 0.716 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ncccc3C)c2)CC1 792376498 VDXFMZFTFXQZQQ-UHFFFAOYSA-N 446.533 0.798 50 20 ICGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)=NO1 798835804 SXLYZYFKRACHBO-CYBMUJFWSA-N 430.425 0.093 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc2c(=O)[nH]ccc2c1 803435594 GBYWIMJCBPBZEG-NSHDSACASA-N 429.458 0.437 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1cccc(F)n1 807392692 VTVYAWVZBVVCAU-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)CC)cc1 811681531 AUESKKIVAKUKCK-VXGBXAGGSA-N 434.540 0.398 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 815751520 COCPNUVGDZUIGX-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)OCC(=O)NNC(=O)c3ccccc3)c(C)c12 914944152 ZSTVGYPKDRDDGQ-UHFFFAOYSA-N 425.445 0.815 50 20 ICGD Cn1nc(C(=O)NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)c2ccccc2c1=O 915947297 NXTOEWUUAHFKIV-UHFFFAOYSA-N 432.440 0.856 50 20 ICGD COCCN(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916582116 JOCMTVPUJQJFEI-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD COC(=O)NCC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 918293166 WSAIXUQCKOBAJI-UHFFFAOYSA-N 448.501 0.933 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(S(=O)(=O)N2CCOCC2)o1 918359217 QIGUZQMILBHNCR-UHFFFAOYSA-N 429.838 0.734 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1 919889945 XHERJCPGMGRXKK-AWEZNQCLSA-N 444.535 0.039 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1occc1CS(=O)(=O)c1ccccc1 1317733440 DFESLSNETSSMEP-ZDUSSCGKSA-N 426.472 0.449 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1319721862 QVCNDMKTWAUAHS-UHFFFAOYSA-N 433.512 0.655 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H](F)Cl 1778029498 NLBLFBKTISSHMM-DDUZABMNSA-N 444.847 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778251135 UGHLNVXNFPVGQX-PGRDOPGGSA-N 430.505 0.193 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374117 AXGGQLGWZSNCPB-JXXFODFXSA-N 437.928 0.830 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057586 AGQRHSNHGXYLBO-VBKZILBWSA-N 433.896 0.941 50 20 ICGD O=C(/C=C/C1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781284238 SVHXHDCVYHYBJL-ZWPAVUJESA-N 426.322 0.946 50 20 ICGD N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1781330702 DFCZRQMBUQXNNK-KMFMINBZSA-N 429.290 0.992 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1781334106 MITKKERCMGISJG-CKEIUWERSA-N 435.338 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2cnccn2)C1 1782621415 XBLPMMOSJAIRIE-WREJSRDGSA-N 444.536 0.377 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676614 LEDGWXAXRKFZFQ-DLBZAZTESA-N 433.292 0.627 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1783877633 MMBOARYJRFRXTI-FOIQADDNSA-N 440.928 0.371 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1783883899 MULJKWLMDWDRBQ-IFXJQAMLSA-N 433.933 0.985 50 20 ICGD COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1783936122 GQKKUMFNZJTORL-NRFANRHFSA-N 433.509 0.215 50 20 ICGD COc1cc(OC)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784092602 KRKOAZQRQOXXFL-BIMQEMHKSA-N 426.897 0.897 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784453037 DJYCJISSGZIFHT-XUXIUFHCSA-N 439.372 0.574 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(F)n3)[C@H]2C1 1788866805 PJZPTNLWJYQPEH-NUTKFTJISA-N 442.451 0.126 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(O)c1OC 1790160571 CQFYYTUWIGSNEV-PCBIJLKTSA-N 442.896 0.602 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1790695066 AVXNBJDAZOIJMG-MJKMTRRRSA-N 447.442 0.520 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791773753 VVHCBKDIDGTPMZ-WFGGJUAMSA-N 429.366 0.637 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1793012101 LEBZFUQIIOZTIR-AIEDFZFUSA-N 433.933 0.764 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1C1CC1 1795004764 FXJOLNKNIHNYQI-FVCICTRLSA-N 440.460 0.068 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795184378 RVVXDDYZVWGKFK-HBCWATKFSA-N 434.449 0.285 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795513608 PJGYLHMKDUSCDD-NASWQRNTSA-N 434.449 0.318 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2cccnc12 1796814049 XJHACRKFNRGOOB-UPHUGPLXSA-N 439.516 0.811 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOC1=O)C2 1796892614 XFIHIFQBFJPUMU-YDOXXCSQSA-N 444.492 0.601 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799349768 KSFAVGMXMNCHQW-LYIQGSDWSA-N 429.246 0.300 50 20 ICGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)c(C)n2n1 1801014873 OKWDPRSUUGBSOC-GNXNZQSNSA-N 427.292 0.748 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801509791 QZOCGQUJYASRQA-RBGFHDKUSA-N 445.944 0.745 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)[C@H](O)CCl 1803135494 DFJKQSIWJNQEFI-LXZKKBNFSA-N 436.856 0.492 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)CC(N)=O)C2)CC1 1806132983 QCUNLYSIUYCBFL-DAWOQIAZSA-N 444.536 0.863 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360467 BBPGMMZKKSYLFV-CGTJXYLNSA-N 429.232 0.736 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810973971 CCIYVZMMHAVRRH-DYESRHJHSA-N 439.520 0.873 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1(O)CCC1 1814422358 KUBYZRGJCDVSOC-RDTXWAMCSA-N 440.309 0.947 50 20 ICGD CN(C)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814548548 YEPLQCWTWJBXLI-LLVKDONJSA-N 431.522 0.319 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810289 NZAUAMZVAGPLNN-CIUDSAMLSA-N 432.344 0.431 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814887850 QAGQPLFVUYKGTI-AWEZNQCLSA-N 430.339 0.437 50 20 ICGD CSCC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348371 LODDREDWMBQWQP-ZFWWWQNUSA-N 449.363 0.163 50 20 ICGD CCC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)COC1 1815360225 QREHRQZVPJSEGJ-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)Br)[nH]n2)C(=O)N1 1815668419 ZIBWBOIQQMLQIC-ZANVPECISA-N 445.249 0.644 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)nn1C 1817470405 ALMLYLRLGOXXPE-SFHVURJKSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC2(O)CCC2)[nH]n1)c1ccc(B(O)O)cc1 1817475894 YUJMPPIOTLMSQN-KRWDZBQOSA-N 426.282 0.701 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1819428416 DDRSHXQKIZLPLU-KKUMJFAQSA-N 444.872 0.496 50 20 ICGD CCc1nc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)co1 1820751041 KBRXHPFJIOLAED-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)n[nH]1 1821501425 VPUVYHYEPQEIQP-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822434446 WRGIZQWGQZGHBH-DLBZAZTESA-N 446.338 0.509 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903915 GMHGNXCAFPJIKT-GXTWGEPZSA-N 443.342 0.941 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)CC1 1826219827 HGFXVGBZKWSYTP-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736059 QTJPHWYSOHZPNO-KXBFYZLASA-N 430.860 0.261 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1=O 1831888029 OQSLPRJPNVTZLC-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(=O)C2)CC1 1832815026 XLCWOXKOYHBWMB-IBGZPJMESA-N 427.505 0.898 50 20 ICGD CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833490719 WKDFLQDVRHXGEV-HXUWFJFHSA-N 447.410 0.506 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cncs3)CC2)CC1)c1ccc(B(O)O)cc1 1834797978 RWNLPXZLCGMSOJ-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834823351 PQTOOBSARACMPK-CPJLOUKISA-N 439.372 0.387 50 20 ICGD O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834872824 WOSUPJQNPMCOFN-OAHLLOKOSA-N 431.310 0.540 50 20 ICGD COCc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1 1836103156 HVZZDZDGKHERGA-SFHVURJKSA-N 426.945 0.946 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837708521 JVACZYCNSXFXLY-PKOBYXMFSA-N 426.542 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952652 DIHGHODZMRTVIL-JOCHJYFZSA-N 443.504 0.001 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838993855 SWVYSCUXDOTWIA-VQIMIIECSA-N 432.851 0.563 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839147732 ASLYIBLPCYGSKA-KUHUBIRLSA-N 433.933 0.985 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198910 FQONNOOKOAXJCG-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840032655 GLCIUICDILPKGV-CXAGYDPISA-N 444.330 0.712 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1840144644 GYVJKOLOIYLRIY-QOIOWGMHSA-N 446.928 0.022 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840199935 PSFCCEBSZMVWBG-HUBLWGQQSA-N 443.335 0.247 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841213244 MTGTUUGVTFSFEO-UHFFFAOYSA-N 432.241 0.604 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1843131493 LQAVXOCIOGFCFJ-HNNXBMFYSA-N 433.896 0.296 50 20 ICGD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16786221 BAHRLQFTTICLJJ-MTPYNGCESA-N 439.578 0.926 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 17406256 JRKMHGICQSITOC-UHFFFAOYSA-N 443.485 0.173 50 20 ICGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F 115502819 PCGUCLOTCGXWBW-KRWDZBQOSA-N 438.366 0.268 50 20 ICGD O=C(Cn1c(=O)nc(O)c2ccccc21)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728210131 UKMUZSZDCQTRJE-UHFFFAOYSA-N 429.458 0.686 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 728512081 MDOAADNIZRGJRU-UHFFFAOYSA-N 445.501 0.691 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 729856410 ODRLPSFVZUTLEU-UHFFFAOYSA-N 440.533 0.830 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cc1 735687418 GRXLVNQHBUOONB-UHFFFAOYSA-N 439.472 0.594 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 743824820 CRQAIHVMEFEOMH-UHFFFAOYSA-N 433.856 0.639 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 746097244 DJNYDPMPFJMMRW-UHFFFAOYSA-N 435.510 0.570 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 746272494 TXFKGBGWBFGVTI-UHFFFAOYSA-N 426.474 0.047 50 20 ICGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 746972034 GCOJYONATLBNQD-UHFFFAOYSA-N 438.510 0.249 50 20 ICGD Cn1cc(C(=O)C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cn1 748546759 PFLSTPVVEJBMTI-UHFFFAOYSA-N 430.428 0.766 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1C 751970476 AQUCZTFRDOSFEJ-UHFFFAOYSA-N 429.499 0.420 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 753578232 VYPAQAMABJRVOZ-UHFFFAOYSA-N 432.502 0.605 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 755667841 PLPWJAYGWKILPJ-MGPQQGTHSA-N 439.538 0.895 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 756206917 NFYNUHXOLOCKGZ-GOSISDBHSA-N 446.485 0.914 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757780344 FYXJTTPYARCCTR-UHFFFAOYSA-N 438.462 0.133 50 20 ICGD O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)NNC(=O)C(=O)Nc1ccccn1 759360939 HPDUREVHUQZDBY-QGZVFWFLSA-N 426.477 0.642 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1 760127506 CUWTZPPBTMTMPH-UHFFFAOYSA-N 429.458 0.868 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C 763716218 DGLKQNOUHFNWMY-UHFFFAOYSA-N 441.488 0.954 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 763858352 QUPGUYDZDMFDRF-VIFPVBQESA-N 428.380 0.354 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(CN2CCCC2=O)cc1 764006694 SPPGHSWWUHSOOQ-UHFFFAOYSA-N 438.440 0.980 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c(O)c1 764109966 NICXHPIADATURX-UHFFFAOYSA-N 440.456 0.881 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)cc1 764127940 VLLDPQQXMPRUGZ-UHFFFAOYSA-N 425.445 0.944 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 764203634 NJNMPHOPVDZYHM-UHFFFAOYSA-N 435.437 0.522 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)c1 764232571 QRIDPVGNIJKJLD-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 765112978 JPHBSSUAVSFQAH-GFCCVEGCSA-N 448.523 0.713 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cnc4n(c3=O)CCS4)n[nH]2)cc1OC 765602183 WLZGOLKRGNFWAY-UHFFFAOYSA-N 442.457 0.831 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(N2CCCC2)n1 765736381 QGJYDQSJXZQFHW-UHFFFAOYSA-N 437.504 0.296 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 769199425 FISYCOHYGYNECR-WIHIRCLASA-N 434.518 0.696 50 20 ICGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)N2CCOCC2)C1=O 770222256 IHTINGHZNBZTIQ-KRWDZBQOSA-N 427.820 0.319 50 20 ICGD CCOC(=O)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N(CC)CC)cn2)C1 771391682 CZXUICHDWIXBNN-CYBMUJFWSA-N 428.515 0.969 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 771996105 SCUHMOBVBKAGSN-ZDUSSCGKSA-N 441.506 0.373 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772188684 RFVOJYIZJGLTSF-UHFFFAOYSA-N 449.895 0.604 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)c1 776714439 CXQJKDKZBHPQJT-INIZCTEOSA-N 434.474 0.704 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 777279904 VTFPAEXSSAIAOO-LSDHHAIUSA-N 431.515 0.215 50 20 ICGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)c2ccc(Br)cc2Cl)C1 777509629 YRJUEBBYMOHNSH-UHFFFAOYSA-N 439.719 0.938 50 20 ICGD CCNC(=O)N(C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 780709449 NDNHJSSEFRYORG-UHFFFAOYSA-N 431.471 0.697 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)c2)CC1 782120934 MWSBBLDZIVOQDN-UHFFFAOYSA-N 429.502 0.745 50 20 ICGD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003756 ADHFSZRVKQMTKF-LBPRGKRZSA-N 429.433 0.324 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c1 784842277 WNPWTDAUWCXEKE-UHFFFAOYSA-N 429.462 0.845 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 794782302 WYGAAKBBDTXOFN-VIFPVBQESA-N 434.902 0.909 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc21 797368312 AJAVARHIPGGVGR-UHFFFAOYSA-N 425.445 0.691 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799259037 RQOIKSNXSJTNAT-LLVKDONJSA-N 430.392 0.734 50 20 ICGD CCOCC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 799695642 FYGDBLSVFHIXRN-UHFFFAOYSA-N 438.550 0.265 50 20 ICGD COC(=O)c1cc(C=NNC(=O)C(=O)NN=Cc2cc(C(=O)OC)c(C)n2C)n(C)c1C 800804831 DVVATECXXGUNNN-UHFFFAOYSA-N 444.448 0.154 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 815691347 NDCIPNNMGCWZAN-MRVPVSSYSA-N 428.783 0.881 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)C(=O)c2cccs2)cc1 914748001 ALGNEVIMSXAACM-UHFFFAOYSA-N 438.531 0.597 50 20 ICGD O=C(NCCOCC(F)(F)F)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916328661 NQIIBPUHXLUEOY-UHFFFAOYSA-N 438.428 0.994 50 20 ICGD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 917723446 FKMFBBNSHJBVFF-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD Cc1cc(CN2CCCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)no1 1325122464 JXUYGYZZYIQVAS-UHFFFAOYSA-N 449.537 0.838 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)COC4)C2)C1 1777910110 WRTLTMCSMUJJNF-HSZRJFAPSA-N 436.273 0.154 50 20 ICGD CN1CCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1777919534 WJOGZOLLXUAAMR-DEOSSOPVSA-N 449.316 0.116 50 20 ICGD O=C(c1cnc2ncccn12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777931402 IKEVIYBXKWZHLU-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778511723 NXXPLKLKKIZDKO-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)N1CCN(C)CC1 1779300250 NUOZDGCQPOXXRZ-YLJYHZDGSA-N 426.634 0.304 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1780097100 QBIFFBIEGGUQSZ-HXUWFJFHSA-N 434.449 0.525 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1781998122 OFDNZPLGRXHSRF-ILMHXZGMSA-N 443.298 0.799 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C1CCC(O)CC1 1782327367 BFUYFRJGNQDZNO-RQMZMBPPSA-N 444.337 0.045 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1783934744 LNBPKRYAWNEDOE-NRFANRHFSA-N 428.493 0.331 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392055 LTAPBZPUKQETAY-IAQYHMDHSA-N 432.344 0.900 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21 1784439282 RYHQYHMMYRDCIP-AJNGGQMLSA-N 437.990 0.559 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981958 SFBWTNNDZXOLBZ-NYVOZVTQSA-N 447.300 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C[C@@H]21 1788611509 HKKFIIXZKJNCRC-LNMJFAINSA-N 445.520 0.238 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1788764423 SJGPWUNKAQDBSI-ULQDDVLXSA-N 425.602 0.830 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921536 NXOJOFVKXJFCMH-PJSNJIKXSA-N 443.335 0.337 50 20 ICGD COc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291067 KLAJPPLBVMYWAG-DZKIICNBSA-N 438.550 0.723 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cn1)C2)[C@@H](O)CCl 1792980574 LXEJWYTZNUPQCS-DJBIQUGXSA-N 432.702 0.647 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1F)C2)c1ccc(B(O)O)cc1 1795736899 NOSQKYQBAVBBNG-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795845667 DZWIFSNCUDVHKF-NFFDBFGFSA-N 442.310 0.630 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796352592 MZFCMBXQQKAPDR-WYFGTUCQSA-N 427.242 0.860 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1799279396 MZDJFJMUMNIQKW-VODVUFLWSA-N 433.292 0.387 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc(F)c1F 1801748881 ZZPRKYGZYABRBF-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1805728817 JSCYOAIZBBZPDI-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805813259 RXOKLZUDVKPOOY-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)[nH]1 1807362795 MEUQVRGHTSLYKY-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cocn2)[C@H]1c1cccnc1 1810297890 FVDRTNIRIYSPKI-KSSFIOAISA-N 435.444 0.702 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1812419207 WLZSTPCXRVDEEO-HRAATJIYSA-N 427.509 0.426 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)COC1 1813073092 HGVSAPMDHZTIFQ-XLIONFOSSA-N 431.537 0.887 50 20 ICGD CN(CC(=O)N1CC[C@H](CNC(=O)C(Cl)Cl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1813081122 IYQBECLUQDOFKU-YPMHNXCESA-N 431.276 0.434 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)c1ccco1 1815337937 XVGHJUGUQJIRNX-ZDUSSCGKSA-N 439.258 0.525 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cncn1 1817479226 KUAAYDYQKJKMAZ-SUMWQHHRSA-N 437.269 0.248 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822589932 QYAINGSXPNIUOI-DOTOQJQBSA-N 442.350 0.533 50 20 ICGD CC(=O)N(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083913 VGWBTLWTPOBCRL-ZDUSSCGKSA-N 438.554 0.297 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833276087 GBWYOZKGIFFHPK-MSOLQXFVSA-N 432.304 0.626 50 20 ICGD CCOc1cnc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cn1 1833949862 LCGHDCHJRPDXKC-QGZVFWFLSA-N 439.944 0.660 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCSC(=N)N)CC2)CC1 1834709642 NDVWGXCOOQTOQW-HNNXBMFYSA-N 434.006 0.829 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834820210 PTPFXBJRBUPBDC-GOSISDBHSA-N 432.359 0.570 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)[C@@H](F)Br 1836413718 MZHMDXNBBDPBPN-OAHLLOKOSA-N 449.321 0.701 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1C 1838831846 IRUJMJGYJMYRCS-IBGZPJMESA-N 428.917 0.764 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839142110 FDIQMKLTWAJIIE-OXQOHEQNSA-N 429.945 0.863 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839963638 QTZSSPSTOGMAHU-YVEFUNNKSA-N 445.314 0.809 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840031219 IXPFYNQMZXSJMU-GUYCJALGSA-N 427.299 0.259 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840031862 DWINAEFMGOVRQI-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840149343 MDWKGKYHXXCRQN-GHTZIAJQSA-N 435.908 0.811 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1 1840151693 LJDYELRISBZSCN-JXFKEZNVSA-N 425.913 0.968 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840153009 AXBPGJCGVCQDAN-BEFAXECRSA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840155149 RAAHNQDQKFJYMS-XLIONFOSSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840156666 SAVMCAICADPRPZ-UZLBHIALSA-N 444.887 0.642 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204853 QLACRVYJKIABCX-XHDPSFHLSA-N 429.823 0.139 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841224493 BUYPHGHRYPXEMF-OIISXLGYSA-N 437.924 0.623 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847832918 PBCMKYYLYZWCCU-BOFXEDATSA-N 445.564 0.941 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)c1 13059950 IXBZYMSXFSCUGC-UHFFFAOYSA-N 427.460 0.258 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)CNC(=O)c1ccco1 725739227 ANHQJZLRLQCXMO-UHFFFAOYSA-N 444.469 0.679 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1ccc2c(c1)OCCO2 727765567 LQRWDXUIHFTFBQ-SJORKVTESA-N 441.440 0.991 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)CC1 728213534 DMPAVIMETUVBNU-LJQANCHMSA-N 444.513 0.848 50 20 ICGD CCOc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1O[C@H](C)C(=O)N(C)C 728437309 PZTIQUVSZPKOPS-CHWSQXEVSA-N 428.511 0.329 50 20 ICGD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276112 XEPCLUPUUYXRTI-LBPRGKRZSA-N 432.506 0.517 50 20 ICGD O=C(CN1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1)NNC(=O)C1CC1 733193451 PJSZCERLWHMBOM-UHFFFAOYSA-N 444.561 0.951 50 20 ICGD CN1CC[C@H](NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1=O 739064102 MMJTYNWKBDOFSN-ZDUSSCGKSA-N 437.503 0.724 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 741361003 YLGWFTAASQPBFK-OAHLLOKOSA-N 449.464 0.977 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 741910223 CYZRVYLLWXZNBU-UHFFFAOYSA-N 447.513 0.951 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)NC(C)C)nc1 746973441 TUKLFOWJAHRVSO-UHFFFAOYSA-N 436.560 0.066 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)c1ccc2c(c1)OCCO2 749843193 PQLLFYBYDYQDOB-UHFFFAOYSA-N 431.879 0.912 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Cl)c1Br)N[C@@H]1CCS(=O)(=O)C1 755002080 LIMSIZVOWMABHZ-SSDOTTSWSA-N 446.732 0.782 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccn1 756648668 XVZYIBPOZXSDBB-UHFFFAOYSA-N 434.478 0.500 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)C(=O)N1 756815265 JVTCFXOXEYLKGC-CQSZACIVSA-N 434.416 0.334 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 756826200 BYSZFBCTUHFTRO-UHFFFAOYSA-N 432.481 0.846 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(=O)Nc1ccccn1 758824529 XBLORHRMHOSSBZ-LLVKDONJSA-N 446.261 0.983 50 20 ICGD COC(=O)C12CCC(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)(CC1)C2 759259063 JNYIPPHKNSIZNF-TVRCVXMWSA-N 432.429 0.641 50 20 ICGD CC(C)N1CCN(C2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 761121943 IRMNNEVZPBSSHK-UHFFFAOYSA-N 432.525 0.846 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1cccnc1 763495515 YZZBPHLAXAHZPG-UHFFFAOYSA-N 426.477 0.632 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763531754 QHPGKTSWZYVJLD-UHFFFAOYSA-N 426.477 0.388 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)cc1 763659507 PHYMYBUKQAOIPS-UHFFFAOYSA-N 430.461 0.930 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c1 763719500 ZYROVGOKZNDFMY-UHFFFAOYSA-N 448.457 0.108 50 20 ICGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002454 MJMMBYVWDSAJKV-LBPRGKRZSA-N 427.479 0.395 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)o1 764138164 DQUIZCRNXBOEEZ-UHFFFAOYSA-N 427.461 0.807 50 20 ICGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 764260918 TVYWPDVRQKVXQZ-UHFFFAOYSA-N 440.460 0.656 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1cccc2c1CCN(C)C2 764344750 IHQLIGZEXIDRAN-UHFFFAOYSA-N 448.487 0.150 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764356603 ZXTUXDBYKJAOFC-UHFFFAOYSA-N 435.234 0.944 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2ccccc2C(F)(F)F)n1 764424242 GWNZVOYFWVMZIV-CYBMUJFWSA-N 441.366 0.701 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764544779 MVHHWQAIFBECGE-AWEZNQCLSA-N 431.449 0.330 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CS(=O)(=O)NC1CCC(C)CC1 767338083 APLMXRVEJHNBBV-UHFFFAOYSA-N 439.534 0.726 50 20 ICGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 770250401 HHQNZMCBYVMZGD-UHFFFAOYSA-N 432.930 0.085 50 20 ICGD Cn1c(S)nc2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccc2c1=O 772896840 CVTPPMMXCYZBRP-UHFFFAOYSA-N 445.888 0.953 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 773663467 WPNQNWJVGDZLLH-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 778495480 SOOYFCDQDYHZHL-JOCHJYFZSA-N 441.488 0.925 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(OC(F)F)c1 783425059 AFXGTUHSGIGQFL-INIZCTEOSA-N 435.405 0.211 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(CCN2CCCC2)c1 784005354 WZIJVNLTJQIQGE-UHFFFAOYSA-N 443.529 0.902 50 20 ICGD Cn1cc(-c2ncccc2NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cn1 786414421 PAMGQSPJWWMVHU-UHFFFAOYSA-N 446.265 0.983 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1 790996173 BTSJROWDSNEYEP-UHFFFAOYSA-N 441.397 0.998 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cn2)cc1 793023145 IQVRGXAKCOHJAI-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2c(C)nc(-c3ncccn3)nc2O)cc1C 798307983 LCFFMRYCZMXGFK-UHFFFAOYSA-N 435.444 0.893 50 20 ICGD CO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn(C)c1 798823482 NKVPNHDPYHVDLG-QGZVFWFLSA-N 435.506 0.743 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1 807514741 NUZWZMZCXUDDJY-MQVJKMGUSA-N 433.509 0.488 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCN(C(=O)OC(C)(C)C)C1 810573021 YEYKYBCFSVNWID-FQEVSTJZSA-N 435.481 0.232 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 813033452 TZBGTRMPJCAFDS-UHFFFAOYSA-N 431.474 0.903 50 20 ICGD O=C(CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)Nc1ccc(F)c(F)c1 813535782 BHKCRVPHIXLNTE-UHFFFAOYSA-N 440.432 0.841 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(Cn4cccn4)on3)cc2)CC1 815854639 KHHCBTAXPPSOHW-UHFFFAOYSA-N 445.505 0.612 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 915188388 JNJUVKJXCYXBCL-UHFFFAOYSA-N 444.469 0.419 50 20 ICGD CC(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 915894823 QBMFUCCUYMMNIA-UHFFFAOYSA-N 433.490 0.245 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1 918137832 HKTFEHHLMJRMIM-UHFFFAOYSA-N 437.472 0.778 50 20 ICGD C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 920827343 XFKFLSFIAYJURC-JOCHJYFZSA-N 437.456 0.377 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)c3nnc(O)c4ccccc34)ccn2)CC1 1248699219 AVFOBEXPNRAUQI-UHFFFAOYSA-N 436.476 0.626 50 20 ICGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1328684951 CXCRXVNTUWUINS-OAHLLOKOSA-N 426.562 0.600 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Cn2cncn2)C1 1779503496 ZBDYVFZSHJQSOM-YIOZNXECSA-N 427.933 0.682 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1ccc[nH]1 1781326992 VWWXPBMBNMMPOU-WMLDXEAASA-N 445.289 0.655 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681398 ZKTKVEGFZDPETJ-PXAZEXFGSA-N 443.298 0.564 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783348100 VDORBFNKWWLFLY-BZNIZROVSA-N 429.271 0.505 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783873084 KHHPOKBCLBASDD-AUUYWEPGSA-N 426.901 0.218 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)C(=O)OC(C)(C)C 1784089417 BLHHROINYDVOQC-AJNGGQMLSA-N 433.933 0.433 50 20 ICGD Cc1ccc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784429668 QEPZIANYVPJTGV-UVIRAJKCSA-N 440.330 0.893 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n[nH]1 1789322354 UOECWBGXOOINHQ-KNBMTAEXSA-N 440.309 0.120 50 20 ICGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1795074548 MAHRVYRFXGZRDJ-MXNKGDRCSA-N 436.317 0.763 50 20 ICGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc(Cl)n1 1796188880 XACFPGUVBAQZNB-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2ncccn2n1 1797380310 HFWFCWKLLSNDDF-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797541365 NDABBWXHXUIZSY-FVCICTRLSA-N 445.548 0.876 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c(O)c1 1798439802 HEHPQYFWGDMOKM-BTTYYORXSA-N 439.472 0.965 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)C1 1799342515 JCAUIZKHEWOVRU-YOVYLDAJSA-N 435.290 0.856 50 20 ICGD Cc1cc(Cl)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801737012 OFDWFAQMAROJSB-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1802041482 PVAXIBYNRWLNBV-QJESEZNXSA-N 443.878 0.997 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807374176 JKLGBPSVWKDLBO-GCJKJVERSA-N 448.288 0.620 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1c1cccnc1 1810300494 ZEPLCPXQCDOIRK-RHSMWYFYSA-N 434.460 0.437 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)on1 1813071311 RVVKQAKYCQTTQW-JTSKRJEESA-N 442.520 1.000 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1(O)CCC1 1814422748 RTTHRWYXPHWDSZ-RDTXWAMCSA-N 440.309 0.947 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816803609 IWEUCLDCZUARFT-INIZCTEOSA-N 428.254 0.349 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1819591618 CUNIHLKHJKYIRG-QWHCGFSZSA-N 436.545 0.851 50 20 ICGD COC(=O)C1(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)CC1 1826089686 LQZIDPFMUXKJRI-LLVKDONJSA-N 437.522 0.381 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C1 1827052560 OJMSHWAZXQIMQP-IFMALSPDSA-N 441.381 0.942 50 20 ICGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)COC1 1830543744 BOVSZSMUEHEKFF-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830731856 QZWCFRFMYREARE-OXFYSEKESA-N 425.913 0.543 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830739074 YAWAYWYJHGWPSH-FXAWDEMLSA-N 439.896 0.315 50 20 ICGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)CN1 1833121725 KOVKMPSJHPYUDH-WBMJQRKESA-N 447.349 0.775 50 20 ICGD CN(C)c1ncc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)o1 1833308987 HJLCVPGHQIDEAC-OAHLLOKOSA-N 427.933 0.526 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833711899 HVNQKDNDPCAQFC-HNNXBMFYSA-N 427.933 0.127 50 20 ICGD N[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cccnc1 1834761590 GTKIMICKPPDYRV-RBUKOAKNSA-N 437.972 0.643 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000153 YLIPNXKBJWHCQJ-RDTXWAMCSA-N 442.310 0.088 50 20 ICGD O=C(c1cccc2ncsc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837067992 NBGDPMPFYZEJSC-DNVCBOLYSA-N 439.921 0.966 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ncc[nH]3)CC2)CC1 1837340426 HAHAFZILXKDZMQ-UHFFFAOYSA-N 441.492 0.334 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837558348 FDJVRHQCXOUJSN-YKTDSXCKSA-N 427.885 0.706 50 20 ICGD CC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837664603 PIOUCJHMDORGGI-UHFFFAOYSA-N 430.310 0.348 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838701830 UHUAGICEMHKQGA-KUHUBIRLSA-N 428.917 0.857 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839200201 HMYMXAJQEHWZEC-YOEHRIQHSA-N 447.305 0.743 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839667426 PLGMICFGWKPHMT-LJQANCHMSA-N 442.900 0.282 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840030550 PDZHHOIBWSCEAQ-HDMKZQKVSA-N 432.359 0.711 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1840153835 BRBXPRRXZJUPEO-HNAYVOBHSA-N 427.885 0.419 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cncn2C)C1)NC(=O)NCc1ccccc1 1842491218 MGKFDDSAMLVBNR-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C[C@@H](N)c2cccnc2)C1 1842976232 MLQKPGUKTHGRDW-CIRUFVMISA-N 437.504 0.809 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217753 SSGQLLXBBDLSJW-GFCCVEGCSA-N 426.308 0.306 50 20 ICGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@@H](Cl)COC)C2 1846257371 JZVDZWCPGCTSNX-INIZCTEOSA-N 436.933 0.140 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1csnn1)NC(=O)NCc1ccccc1 1847895772 HECHCSABLFARAX-IRXDYDNUSA-N 443.533 0.700 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c2ccccc2c1=O 3559779 NLJNUNPTIBMJMN-UHFFFAOYSA-N 434.500 0.907 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 15525261 QFFWMKPWJYPNGQ-UHFFFAOYSA-N 449.485 0.556 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CNC(=O)c1cccs1 725871058 BVRWUWLEBMVLKX-UHFFFAOYSA-N 439.519 0.259 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1cc[nH]n1 730101891 DZTGAVJBOQLXNS-CYBMUJFWSA-N 429.499 0.339 50 20 ICGD CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 731956189 RTYGVEOGWXGHSY-UHFFFAOYSA-N 431.470 0.985 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731986604 KWGJMKDAJIDENJ-SNVBAGLBSA-N 435.418 0.431 50 20 ICGD C[C@H]1CC(=NNC(=O)[C@@H](CC(=O)NN=C2CCN(C)[C@H](C)C2)N2CCOCC2)CCN1C 741765929 GFICSEIXBCWIAA-FUHIMQAGSA-N 449.600 0.250 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)c1O 743316933 KTHRKWYWIVIVCM-UHFFFAOYSA-N 439.446 0.864 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1 743829995 JKINMYATWBMSTH-UHFFFAOYSA-N 426.476 0.133 50 20 ICGD CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NNC(=O)C(=O)N1CCCC1 748342347 FXQXMDSQJLQZEI-QGZVFWFLSA-N 443.529 0.856 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 751066059 ATRDZJVSAOAOEN-CABCVRRESA-N 439.538 0.440 50 20 ICGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)CNC(=O)c2cccs2)no1 751209821 VDGHHOVAQQYEMI-SNVBAGLBSA-N 425.492 0.682 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)NC1CCN(S(=O)(=O)C2CC2)CC1 753802603 PNBJGQOUEVVLPG-UHFFFAOYSA-N 434.316 0.678 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)sc1S(N)(=O)=O 754168551 MKDQPZJZNVLULT-UHFFFAOYSA-N 447.878 0.676 50 20 ICGD CCOCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 755442615 ULYNACCKYIEODI-UHFFFAOYSA-N 430.483 0.295 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccnc2-c2ccccc2)n(C)c1=O 757775005 FFKOPJZPGWELFT-UHFFFAOYSA-N 448.443 0.349 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 761704003 YZSVVEUKCNYNOD-INIZCTEOSA-N 437.566 0.524 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1C 763387231 YSSQLAYGTCPYQV-UHFFFAOYSA-N 433.490 0.636 50 20 ICGD COCCOCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574558 DONCRNISOWYPKM-SFHVURJKSA-N 429.429 0.776 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F)S(C)(=O)=O 763679004 KGYOGHPOLVEUNQ-UHFFFAOYSA-N 438.437 0.386 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 763679544 AAPTXPLDAYUGBO-UHFFFAOYSA-N 446.427 0.712 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763680471 FZDCHYFNUGQHFF-UHFFFAOYSA-N 441.444 0.780 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)ccc1C 763812164 DZMWALDHYHMICX-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cccc1-n1cnnn1 763996390 YNNMGCAASCWKQX-UHFFFAOYSA-N 433.226 0.461 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)c1 764235975 AEOBGLHPEMSTKL-UHFFFAOYSA-N 445.432 0.637 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764261071 XSAHLPOZTAAHOP-KRWDZBQOSA-N 449.515 0.856 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 764342633 OOSYIDFRCLKFJT-UHFFFAOYSA-N 437.500 0.830 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]c2ccccc2c1=O 766645216 ZGOPICKWHJCOSG-UHFFFAOYSA-N 433.468 0.747 50 20 ICGD N#Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 767851838 WDXUISPYQMJZLZ-UHFFFAOYSA-N 444.279 0.825 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=S)NCCSC)C1=O 769765046 JCVYADQDIDWUKX-KRWDZBQOSA-N 425.536 0.321 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)Cn2cc(Br)c(O)nc2=O)nc1C 778425997 JACNUNYWQPLMKZ-UHFFFAOYSA-N 427.215 0.130 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccccc2OC(F)(F)F)n(C)c1=O 779208246 FNJFYSJXGRFBTK-UHFFFAOYSA-N 426.355 0.866 50 20 ICGD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783427927 QVZVBEGTUXRGQE-VBKZILBWSA-N 436.534 0.838 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cncc(Br)c1 784004232 UOSQNEIPVXRWCH-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNc2nccn(C)c2=O)cc1[N+](=O)[O-] 785086454 PAUGHDFFZKBOLB-UHFFFAOYSA-N 425.199 0.841 50 20 ICGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC2)no1 788623798 GGCNOWLMEWBCAO-UHFFFAOYSA-N 434.884 0.654 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 798313999 SBWRPDDVIFYSJU-LBPRGKRZSA-N 428.371 0.429 50 20 ICGD CC1=C(C(=O)N2CCN(S(=O)(=O)CBr)CC2)[C@H](C)n2ncnc2N1C 798989641 LNASPEYBHQQLOM-NSHDSACASA-N 433.332 0.389 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802763603 XLFTXFPISAHNBQ-MRXNPFEDSA-N 447.536 0.753 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)n(C)c1=O 811636836 LOZXMFFCJAHBGP-UHFFFAOYSA-N 447.260 0.936 50 20 ICGD COCCN(C)S(=O)(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 821127990 PGAYISKLUGDGOL-UHFFFAOYSA-N 448.548 0.606 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)c1 825809958 DCOBJXPIAUXTFD-UHFFFAOYSA-N 444.492 0.528 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 906466591 IFEDMKWUFDPUSV-MRVPVSSYSA-N 444.272 0.035 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 913534497 PCGFOJYEAGCIBP-UHFFFAOYSA-N 443.485 0.444 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 914829903 FZVRMCJAAQOCLP-UHFFFAOYSA-N 448.501 0.961 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2ccc3c(c2)OCCO3)c1 915891392 NGCPVEOKYNJBTD-UHFFFAOYSA-N 448.501 0.895 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 916134595 RKEKKKSUZPIPGD-UHFFFAOYSA-N 443.507 0.220 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CC(F)(F)F 918364028 HHHSAITUWWVIQE-UHFFFAOYSA-N 425.385 0.616 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)c2C1 1117727119 MHGQFIWBZGXWOA-AWEZNQCLSA-N 434.522 0.589 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778897821 MCPJIMGLRQMSNA-JOYOIKCWSA-N 435.168 0.612 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1780713429 SLIQAFFREPOFFR-JEBQAFNWSA-N 434.368 0.577 50 20 ICGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1F 1783702526 NHDFCRAGSLWAFL-VDGAXYAQSA-N 440.280 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1783872780 HCEMZVICHYYFMV-YLJYHZDGSA-N 433.896 0.965 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(C)(C)O)[C@H]2C1 1786651717 LNWUTGQUXSRUNA-GLYSVQQSSA-N 433.509 0.261 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984454 IBDOVULNIGPMHL-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925764 JFPPTJMKNVOGIS-MCZMQQNQSA-N 444.305 0.947 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793807259 SNDRKJJTYREQIM-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794345811 MLYZUYQLFUISBO-NWJSVONSSA-N 429.315 0.805 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc2c(Cl)cccn12 1796061199 COXSZVFAFLEVFZ-JLUCKKNBSA-N 427.288 0.791 50 20 ICGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nc2ccccn12 1796188947 FMAZPYVOICEIBE-REPLKXPHSA-N 432.289 0.888 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2)[C@@H](F)Br 1799346228 LLDOSFPVFFMJFS-SZRLZVLASA-N 426.246 0.852 50 20 ICGD Cc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801887731 RIXURNLCXORPSY-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802091889 KUIGOHLGZZHNAY-DJZPMSPPSA-N 429.832 0.466 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104950 MHEPGGJPCQNSEU-NWJSVONSSA-N 433.983 0.844 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1802338846 URLKYXOVKCAJJA-HSFUPAIVSA-N 433.553 0.399 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803135943 LOEINGGIKNLNAE-DTZQCDIJSA-N 431.942 0.368 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803148274 PTWMLCTUCDRURU-DEYYWGMASA-N 435.868 0.262 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1806343406 VVHGBZFFNWAFOH-YDHLFZDLSA-N 425.283 0.981 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362855 KEPQHTDDDUPDOH-XLIONFOSSA-N 433.277 0.128 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)ccn1 1809971432 XIKLYOFRVHFFSB-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3nccc4nc[nH]c34)CC2)C1 1809977735 FFWCDCKTAASNMY-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810297306 BKUHZZSGUVPJCP-KXBFYZLASA-N 448.487 0.447 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810305624 NOWPFPVHRINJLB-XUWXXGDYSA-N 426.477 0.435 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2F)[C@@H]1c1cccnc1 1810306178 VEJVJCPBMCFWBF-OXXUSNJHSA-N 426.452 0.758 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813031377 RGSYWCUKFCLFHC-NZSAHSFTSA-N 445.712 0.335 50 20 ICGD Cc1noc(C)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339543 GOZMTGOMILZASZ-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cccc1=O 1816314862 FYQKAMNYPKTRNY-KRWDZBQOSA-N 449.276 0.408 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817475656 QHTGOGCEQRINKW-SGQUHAKNSA-N 446.276 0.899 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817478775 BENYUJLMWVZOSM-LJQANCHMSA-N 449.276 0.739 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)no1 1819464810 JDAMSMQHMQIVLQ-UONOGXRCSA-N 438.872 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(O)n1)CC2 1826080783 YKRLLFRDZSSRTQ-NSHDSACASA-N 432.506 0.843 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827567465 VHNRIRAFPAYJAQ-SJORKVTESA-N 438.573 0.426 50 20 ICGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550946 FCWAEBZHIHEACF-DYESRHJHSA-N 433.892 0.671 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830332408 JVAGRSMMSWIOAS-DVOMOZLQSA-N 438.294 0.048 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723234 MPDNPONLCWBMCH-APWZRJJASA-N 431.316 0.939 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733049 ZWEHUACMBACYAH-BEFAXECRSA-N 427.885 0.068 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)CC2)n1 1831870759 FRPWEJUHFNZNRQ-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD Cc1ccoc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835141076 BSBVZVVXAVXFPD-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835156827 ALQJCWNFUDXOIA-FXAWDEMLSA-N 426.897 0.430 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932142 PYDAVTCQNOQMNL-FDDCHVKYSA-N 446.353 0.653 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839550 MGLCYWLETQTFGB-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839964554 VMIWCRVNOZENGY-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840153560 SLTRLBPRNIBSCK-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)N1CSCSC1 1844317350 ATGYMQYPZMMEGX-AWEZNQCLSA-N 435.380 0.226 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844693253 MZPWHBWBYVNYAE-GFCCVEGCSA-N 432.433 0.862 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnn(C)c1)C2)NC(=O)NCc1ccccc1 1845038481 HTBCQDLBBSCSAW-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848299317 CBYSJHIVOMJZJD-DMNIGZBVSA-N 437.460 0.130 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Br)c1 1848329690 OVNLEIVCIVUFMC-AVGNSLFASA-N 434.287 0.991 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 20629073 QYLYEKZJGDVVNB-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)n1 20917822 QARDUVJSKCOHCA-UHFFFAOYSA-N 446.533 0.946 50 20 ICGD O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)CNC(=O)c1cccs1 725902697 RMVFFRYLRLHBTM-UHFFFAOYSA-N 439.291 0.818 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cc1 726157683 YZUXXOZPPMJQDP-UHFFFAOYSA-N 432.296 0.427 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 726614372 RITPHEZEHVGACY-QGZVFWFLSA-N 434.518 0.815 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 728205737 BZSFDTQSTHZILA-UHFFFAOYSA-N 431.474 0.760 50 20 ICGD C=CCOCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 729516568 ZQIXKBGAQYQVNG-OAHLLOKOSA-N 441.506 0.303 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cn1 729692284 FGLVCMPIUMJRJL-UHFFFAOYSA-N 449.489 0.864 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 731491104 LDJCMUAELYGXMO-UHFFFAOYSA-N 435.506 0.599 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 732061728 MVPBRBFSIQDMFL-IBGZPJMESA-N 449.552 0.596 50 20 ICGD CCc1cc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2)ncn1 732915206 YNDQKHPUGRVZAB-CQSZACIVSA-N 431.522 0.830 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNc1ccc(-n2cccn2)nn1 733041626 YZMVVWLAEHMCFA-UHFFFAOYSA-N 446.493 0.101 50 20 ICGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 733338582 DVCNMJVDGYTYFO-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(=O)c3ccccc3o2)CC1 735118426 VFCABCQFCAWGFA-UHFFFAOYSA-N 443.485 0.881 50 20 ICGD CCCC[C@@H](COC)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 737060971 CLZMLSNADDTNHV-HNNXBMFYSA-N 428.559 0.849 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC 740853210 YFVCGLZQFQNGDG-UHFFFAOYSA-N 432.481 0.706 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)NC1CCCC1 744053192 GGSFRCAYNRAQJM-CQSZACIVSA-N 436.490 0.897 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744585649 DQEYCUVVJGQSTI-UHFFFAOYSA-N 446.441 0.358 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 744706007 WJCFUHQMUWJUDA-UHFFFAOYSA-N 430.442 0.183 50 20 ICGD O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 748240050 PKGAMKFHYKBDTN-UHFFFAOYSA-N 432.296 0.134 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 755456581 YQIKSKDQLYQJAJ-UHFFFAOYSA-N 429.481 0.478 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)n[nH]1 756758008 DOWFCLNMRIMXDB-UHFFFAOYSA-N 447.477 0.793 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 756931812 POERYURICOWVDJ-INIZCTEOSA-N 427.461 0.574 50 20 ICGD Cc1ccc(C(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2)cc1 758047171 VXQGJIAOMBHYFY-QAPCUYQASA-N 446.529 0.941 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNc1nccc(N2CCOCC2)n1 762852121 UAIJIAWAODSJGY-UHFFFAOYSA-N 435.444 0.394 50 20 ICGD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NNc3nccc(N4CCOCC4)n3)C2=O)c1 762857138 SGNYCLQODRVZAW-MRXNPFEDSA-N 439.476 0.970 50 20 ICGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 762936676 FNFHFZWRWPMTMT-UHFFFAOYSA-N 430.446 0.294 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc2)CC1 763561317 HSDSTEZJFHAXPN-UHFFFAOYSA-N 441.463 0.542 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 763629762 HUXOAIVPNQWTSI-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1S(=O)(=O)N(C)C 763757171 FXTKCARPIJWHIS-UHFFFAOYSA-N 447.517 0.711 50 20 ICGD O=C(Cc1ccc(CC(=O)NNC(=O)c2cccnc2)cc1)NNC(=O)c1cccnc1 763834414 NTXNUBVHQPISCU-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763879094 WTGHLDZBIYSUJJ-ZDUSSCGKSA-N 437.416 0.418 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)n1 763884981 IHXKLPZXOUXDPT-UHFFFAOYSA-N 426.477 0.912 50 20 ICGD COCCCOc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916586 HBPLOALZFRWAGG-UHFFFAOYSA-N 439.432 0.477 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccnc1N1CCCCC1 763920858 FICZYQLSSXEXFG-UHFFFAOYSA-N 435.448 0.447 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1C 764117933 UYPIPBYYVSQCGZ-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1O 764132205 SXELCJDEJHZSDR-UHFFFAOYSA-N 441.488 0.548 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764172097 PSBUOFUDCDZKQK-UHFFFAOYSA-N 444.444 0.236 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1C[C@H]2CCCN2c2ccccc21 764261072 XSAHLPOZTAAHOP-QGZVFWFLSA-N 449.515 0.856 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764350741 KACPJAWXCBTBGT-UHFFFAOYSA-N 442.457 0.180 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2OC)cc1 764396776 BVSOJESOTSIBGP-UHFFFAOYSA-N 430.486 0.862 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766360640 HIOVRABUMBJLDO-UHFFFAOYSA-N 435.443 0.944 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)c2ccccc2c1=O 772632286 YIFDHJGVKQPGMJ-MRXNPFEDSA-N 435.506 0.238 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CSc2nnnn2C2CC2)C1 773419374 NCRFHGGHGPCYMR-LLVKDONJSA-N 425.515 0.895 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)n1 773498690 CHSNGCRIXSDVPV-UHFFFAOYSA-N 438.488 0.975 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(C#N)c3)cc2)CC1 773686376 VTAFPPZRZUVRNE-UHFFFAOYSA-N 436.472 0.935 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)cc1 773718633 LCHUVMJFFNZKAS-UHFFFAOYSA-N 436.428 0.543 50 20 ICGD CN(C)c1nccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 776071290 WFVFVSCZMNIDDA-UHFFFAOYSA-N 426.525 0.585 50 20 ICGD CN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cc2C1=O 777779503 NJRUIAPYTFTZCX-UHFFFAOYSA-N 430.280 0.352 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C)cc1 778294891 VPYMHNVXIFQGMR-AWEZNQCLSA-N 426.539 0.704 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)nc1 783264784 ROKJBMRZBNXEFY-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787544822 YGOOBKJEMCFTLV-ZDUSSCGKSA-N 432.456 0.842 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 788480136 NAFRIPXTTKOUTE-VIFPVBQESA-N 437.297 0.000 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C 797369391 UMOHTCXNIPGASE-UHFFFAOYSA-N 441.444 0.966 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)c1ccc(S(N)(=O)=O)cn1 798335287 JRHDQCWPLVGLRC-UHFFFAOYSA-N 427.508 0.563 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)n1 799667917 BWEJNEWKQFEOFH-UHFFFAOYSA-N 446.892 0.601 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978498 DJOGCZPLMQZZBM-CHWSQXEVSA-N 443.485 0.248 50 20 ICGD CC(C)(O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 807071080 XFQIYGXACCOJSO-UHFFFAOYSA-N 428.445 0.926 50 20 ICGD COc1cc(OC)c(NC(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1Cl 807974142 UXGYAKZCIAPSOL-UHFFFAOYSA-N 438.872 0.976 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)n1 810386357 WFZXJFMPBYMPNT-UHFFFAOYSA-N 438.391 0.029 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCN(S(C)(=O)=O)CC2)nc1 916237677 BPBYNRFVVBBGAK-UHFFFAOYSA-N 448.571 0.162 50 20 ICGD CCN(CC)C(=O)CCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 916577562 MJIJBPDZUKYZQG-UHFFFAOYSA-N 441.554 0.595 50 20 ICGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2[N+](=O)[O-])CC1 918707031 FLEYFFSLMDQCJM-UHFFFAOYSA-N 432.359 0.770 50 20 ICGD CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885617 NHTBUOUHHDZBSR-GJZGRUSLSA-N 426.495 0.455 50 20 ICGD COC(=O)N1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 920051266 CPHQLLKLMZYSSE-UHFFFAOYSA-N 432.525 0.760 50 20 ICGD COC(=O)CN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920853019 GBUUDQQJEAPPSQ-GDNBJRDFSA-N 425.445 0.972 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 920929276 GZTKUJITPGDKPU-UHFFFAOYSA-N 436.472 0.935 50 20 ICGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 933547173 WQKHHTLOBXXPQP-SFQUDFHCSA-N 430.428 0.688 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 1317737628 MQTXUSRAFSOCJZ-UHFFFAOYSA-N 445.295 0.915 50 20 ICGD O=C(NCCc1nnc2n1CCCCC2)NNC(=O)c1csc(N2CCOCC2)n1 1317817993 MUIJOACIRFRGIJ-UHFFFAOYSA-N 434.526 0.484 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1779034002 IANIDMAXHYBDQT-BVGQSLNGSA-N 425.848 0.053 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[C@@H]2CCOC2)C1 1782777463 KWBJUJXZQBBIGD-JBYIUTFZSA-N 438.569 0.690 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1783744295 AHJNVRVEQBEMIC-QFIPXVFZSA-N 430.505 0.381 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3ccccn3)CCO2)C1 1783880093 BIVMAIVKOINQFQ-MDOVXXIYSA-N 438.912 0.284 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1783934335 DVLYCCZBNKKVEI-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785264977 WHGCDUZDDXYXRY-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476839 CTGRKJCAWXYMOW-BJDJZHNGSA-N 444.286 0.942 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3)C[C@@H]21 1787509149 WEUPNVCCZKRPCT-NLYOHKEFSA-N 428.449 0.402 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788141265 RQVJGTQWNPUKGQ-HNNXBMFYSA-N 437.305 0.981 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788783350 RBAWWTULRJBLBN-XSLAGTTESA-N 446.552 0.235 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1791282671 CXVVJQFIHHERFB-XLPNERPQSA-N 430.574 0.433 50 20 ICGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)c1ccc[nH]1 1791294257 PUNDXQMUDQAFGU-OBJOEFQTSA-N 431.320 0.918 50 20 ICGD Cc1cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2[nH]1 1795739171 QGECXXCGGWVSGE-RMFSNUHRSA-N 447.300 0.673 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2)c1cccc(B(O)O)c1 1795739744 IHQZHQXMVJCNDL-FEJSZKPUSA-N 447.300 0.294 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190906 AMDFXXRZKBYJHP-SJWGOKEGSA-N 428.323 0.575 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796301137 ORGBUVHFBSODHF-AICCOOGYSA-N 433.933 0.479 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)cn1 1796563422 XNVMUHUOAAOGCG-JLVBRIDZSA-N 435.553 0.923 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Cn1cncn1)C2 1796891774 KOJULCGHYHOHCN-BCCLYZLDSA-N 440.508 0.686 50 20 ICGD O=C(Cc1c(F)cccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798982651 KHJCSKZWHJPNHE-USGNIVHTSA-N 444.243 0.091 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800642045 SWPXNLYNYLYTJV-PEBLQZBPSA-N 433.347 0.457 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)nc1 1805518163 MWQLEVTZFRRPHB-MRXNPFEDSA-N 443.953 0.930 50 20 ICGD Cn1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807362311 JZGYURHPGRLYSU-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H](O)c3ccco3)CC2)C1 1809977238 BKEXYQBATTXWTF-LJQANCHMSA-N 426.278 0.538 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3nccc4nc[nH]c34)C2)CC1 1810691595 QDFDOARNLQJVDW-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1812498259 JAHUSWCBFKCXSA-LTIDMASMSA-N 443.953 0.918 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1)c1ccc(B(O)O)cc1 1817469794 DZPHPJNCRZCYJY-INIZCTEOSA-N 436.237 0.205 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2ncc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817475990 YWWMINUSLUVYSG-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819510782 QCQPHVHILGLGRN-ILHIWHGASA-N 449.363 0.207 50 20 ICGD CC(C)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876280 FHUQDTNJIXBEDO-XHDPSFHLSA-N 430.958 0.971 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](Cl)COC)CC1 1828762863 FINJZDYVYHXPJG-ARFHVFGLSA-N 433.933 0.924 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)CCC)C2)C1 1829762766 QXYIWYSXYHXKOX-JDSYDOCNSA-N 427.929 0.709 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1830534584 BWZZZYCJKRVBLT-RDTXWAMCSA-N 442.310 0.421 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544471 ZAQXVJRDEHXFNT-KSSFIOAISA-N 443.342 0.679 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873646 RLAGWULHQNQHDT-AEFFLSMTSA-N 435.569 0.670 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873647 RLAGWULHQNQHDT-FUHWJXTLSA-N 435.569 0.670 50 20 ICGD O=C(CCCc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833054520 WBDVOWUNQGZADF-PXNSSMCTSA-N 425.913 0.460 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1C[C@H]1C1CC1 1833246904 LQVTXMKMCVZGLV-FCHUYYIVSA-N 439.365 0.598 50 20 ICGD CC(C)(C)CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834408353 KKDPUTRKNZPEQS-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD Cc1cc[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800146 XVQKTARCHVXOOJ-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050433 VVCFDAZZAZKSDC-HNNXBMFYSA-N 436.944 0.778 50 20 ICGD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836913009 OQXWINBDXLYJSL-MRXNPFEDSA-N 432.326 0.261 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)C(Cl)Cl)CC3)CC2)N1 1837118037 REHUAJJGWMSUIH-GFCCVEGCSA-N 435.308 0.387 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837590214 COFFWEADXGFWHX-YJBOKZPZSA-N 443.342 0.891 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837713046 DTDRVWKCGOSBJU-KRWDZBQOSA-N 428.587 0.768 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715466 RKEYXMRVHZIUCO-UZLBHIALSA-N 443.617 0.599 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837762552 YYCJSAAVRREKEF-BLLLJJGKSA-N 439.818 0.703 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838095180 NBXCMPOXFIIRMJ-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1838212740 JMDJLOSYXVSPEQ-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339080 CBZIEDYBMMLKLG-QAPCUYQASA-N 442.310 0.564 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203454 LODLOEGXESTDFA-WBVHZDCISA-N 436.322 0.619 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840034246 GAGFOMIKBBRWQL-RLFYNMQTSA-N 432.359 0.568 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840034625 RFVPZCRCSIABQB-MEDUHNTESA-N 429.271 0.036 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182579 NYDXSHGDNLISFQ-HNAYVOBHSA-N 432.949 0.223 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011751 OVKVNNSDBVJOGC-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847318611 MXTHFCSKFIBDAN-AJNGGQMLSA-N 442.944 0.847 50 20 ICGD CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)cc1 9890007 GRUWFPUALGUCBS-UHFFFAOYSA-N 446.485 0.926 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 10887619 BPAXRCKGOAJKSC-UHFFFAOYSA-N 439.519 0.734 50 20 ICGD CN(CC(=O)NNC(=O)c1cccs1)CC(=O)Nc1ccc(N2CCOCC2)cc1 15448124 LAYAHRRILILKTF-UHFFFAOYSA-N 431.518 0.916 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 16202031 SSGBCTPPXLQCBE-UHFFFAOYSA-N 437.434 0.029 50 20 ICGD COc1cc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc(OC)c1OCC(N)=O 17582799 CAGWFZUANFNZNV-UHFFFAOYSA-N 427.417 0.599 50 20 ICGD CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 23787583 QUQXQEFSXWQPNE-UHFFFAOYSA-N 427.446 0.059 50 20 ICGD O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cc(Br)c[nH]1 24124213 GNMITULBCZOGQS-UHFFFAOYSA-N 440.279 0.667 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 727753178 VEEVMTPZUSXBKX-MRXNPFEDSA-N 430.442 0.398 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C[C@H](C)O1 732260040 NTPFBJHAOWEABN-GJZGRUSLSA-N 441.488 0.270 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240106 JLUQZGQSWYJRJZ-JTQLQIEISA-N 435.528 0.270 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746387085 BZASLSFMCNXPSS-GYVBGXKYSA-N 432.565 0.921 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)N1CCOCC1 747599405 VTSMHVOFTYFLMF-UHFFFAOYSA-N 436.490 0.058 50 20 ICGD CS(=O)(=O)N1CCC(=NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 747630898 WSYLLRNYABYKJA-UHFFFAOYSA-N 436.515 0.876 50 20 ICGD O=C(NNc1nc(Br)cn2ccnc12)C1=CN2CCS(=O)(=O)N=C2C=C1 750248389 MWIXAIFJQPZPLE-UHFFFAOYSA-N 438.267 0.433 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 751282062 ISJJTJSEMSJQQC-UHFFFAOYSA-N 434.352 0.520 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1Br 753066598 OVHNPAYLDWRBTR-JTQLQIEISA-N 449.327 0.683 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc2c1=O 753291305 SNUWMJDUMBZXMH-KRWDZBQOSA-N 449.471 0.464 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc2)C[C@@H](C)O1 755424521 VDPYNASCZBXDPR-CHWSQXEVSA-N 436.494 0.603 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 756496159 VQTKCYMQPKIEFH-GXTWGEPZSA-N 445.519 0.227 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 756841015 PGLUEZGQZWEYEP-SNVBAGLBSA-N 439.885 0.781 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1c(F)c(F)nc(F)c1F 763015355 ZIYWADLSGKQRJS-ZCFIWIBFSA-N 435.359 0.547 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763656855 GMAFCKOLSURILK-UHFFFAOYSA-N 435.400 0.312 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 763760815 TWCOUNRLPJVHHA-UHFFFAOYSA-N 438.444 0.204 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)cc1 764002157 JODBYUACUJNLPK-CYBMUJFWSA-N 432.458 0.703 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 764203713 BFTWLGUXDHDIKM-UHFFFAOYSA-N 425.417 0.315 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1S(N)(=O)=O 764242567 HYRDERYBJSPOHX-UHFFFAOYSA-N 429.458 0.383 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cnc(N(C)C)nc2)cc1Br 764327328 XMOQASSMXLROQT-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 764431691 FGSUGZKTQQMGRU-OAHLLOKOSA-N 428.449 0.173 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cccc4nonc34)CC2)cc1 765127304 OHKZTGUZNGLJNJ-UHFFFAOYSA-N 444.517 0.659 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2Oc2cccnc2)n(C)c1=O 766646275 YMFQVKUYELDFEZ-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)(N2CCOCC2)C1 767760752 SXNKKUUMPLMEIE-UHFFFAOYSA-N 444.330 0.991 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 770513393 UJOBDWLESRYABM-CYBMUJFWSA-N 439.900 0.519 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 771914036 DNOXSMMPPFJYBW-CYBMUJFWSA-N 436.490 0.448 50 20 ICGD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 773657735 DXSRAGZDTTUDMH-UHFFFAOYSA-N 446.370 0.474 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 775280670 KBNWDNHFBNHVLE-UHFFFAOYSA-N 446.551 0.085 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1OC 775704565 BTNOMQOZJNOGEU-CQSZACIVSA-N 427.417 0.921 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 776076910 PADDOGNRFRYBPO-XAYKYTGQSA-N 429.470 0.660 50 20 ICGD Cc1nccc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 776495524 GANBIOBELBTMJO-UHFFFAOYSA-N 448.505 0.591 50 20 ICGD COC(=O)c1ccccc1NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780989533 BMLXTUFSUILKEO-DYVFJYSZSA-N 437.449 0.880 50 20 ICGD CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)cc2C1 782968119 YCKBLLXZSINYLH-UHFFFAOYSA-N 445.476 0.344 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CCS(=O)(=O)C1 783427987 SBQRDABTLQFUKU-SGTLLEGYSA-N 445.925 0.892 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(Cl)nc3)cn2)C[C@@H](C)O1 784870448 SVQLDJWTRJPDRJ-TXEJJXNPSA-N 435.872 0.649 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC 784916886 YSRLOKJAOGLQCP-UHFFFAOYSA-N 434.453 0.588 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c(C)c1 797001733 KWPGDDYJRMXNME-UHFFFAOYSA-N 434.836 0.879 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)cc1 802065047 LCWJYMNXDVYCLO-UHFFFAOYSA-N 432.524 0.449 50 20 ICGD C[C@@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 806976741 LIWLCNWZWNBOCM-NXEZZACHSA-N 437.396 0.537 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)c2ccccc2c1=O 828059503 PBIOLKJCGKPNFF-HZPDHXFCSA-N 439.453 0.399 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 834653525 DIOGXONFOFCPON-DSIZOQBWSA-N 449.467 0.375 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 916383477 HYLRMUYZACTSGV-UHFFFAOYSA-N 428.511 0.852 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCc3ccccc3C2)c1 916444829 UFGCBPJMJAATIA-UHFFFAOYSA-N 445.545 0.939 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)cc1 920825659 DVRRFIWRXMFZIE-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cn1ccc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1777967782 LEAAMEJPDZHFLW-XMMPIXPASA-N 447.300 0.615 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778007469 KQGCQRCCIKUTTH-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030041 FHZDNXVNYRQGRB-JOCHJYFZSA-N 438.488 0.400 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779244530 QROKECFDDIVDJW-PSTGCABASA-N 443.346 0.617 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940776 PXGMOXGUSOKNCR-HXUWFJFHSA-N 449.464 0.117 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](Cl)COC)C3)C2)ccn1 1783883223 WTIJICBWHPGXHU-YWZLYKJASA-N 439.896 0.956 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)NCc1ccccc1 1784084193 NNWCUZWIRCGAKP-HIUYALKQSA-N 449.935 0.438 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785562143 QXDVJVUYDPDUSR-WJPUGNRLSA-N 437.924 0.889 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccc1 1786984024 ZQFRSMLVYWIQKK-LQJIQPLVSA-N 425.294 0.022 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)sc1C 1786984731 CANBWHABDWKPHZ-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432191 JEHRZYTWLTWYQM-QSFUFRPTSA-N 429.271 0.265 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)on1 1789364611 QEBMTUHXXVASRX-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790901172 ULOSFGSACYMDQZ-JDIKAJTASA-N 440.349 0.786 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)n(C)n1 1791057724 WHOWSJFUHMAMEA-UHXUPSOCSA-N 429.315 0.805 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C[C@@H]21 1791251086 UUCXDUYYFSFUIZ-UJCHZGTJSA-N 440.924 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCc3ccccc3)C[C@@H]21 1791289041 DSSZAMCYYVQCIZ-UFYCRDLUSA-N 446.548 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21 1791291354 SXNMBCLPDQFGPD-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@]3(F)Cl)[C@H]2C1 1791372059 VBUQBVZPGOFLSM-CMPFRYPGSA-N 439.875 0.203 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1799265003 WVMIYPPBOZZTNS-QRJUGERDSA-N 447.960 0.869 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800158509 OFYJBIKVHUPNGF-NDKCEZKHSA-N 437.262 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1800978537 UPLLDQCPYRRASL-YNVMFWSZSA-N 449.935 0.876 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CC1 1802221465 KYGOJIYYSZVZLP-CRWXNKLISA-N 431.917 0.233 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1803537507 JBCMEDHQAOTGGK-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(O)n2)[C@H]1c1cccnc1 1805677304 XJOOIYIIKDJKMU-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807367198 XQZNRDDOVGXCCZ-PBEJRMEISA-N 435.289 0.119 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807370912 NBKNXCQVEWZCQE-LAUBAEHRSA-N 447.304 0.680 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376325 YDZUXOMDCAHAJE-VWOJUMNXSA-N 445.288 0.518 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)ccn1 1809977586 HTXTURGHPWPUMP-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1811472154 XFIZZOLTBUWOJH-XLIONFOSSA-N 433.277 0.426 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073428 MJUHDTWNRDTBKH-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(Cl)Cl 1813075911 KKRUFCGPVSQMIF-HOCLYGCPSA-N 436.104 0.885 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)c1ccco1 1814457866 FNIPNUSLJGQHDX-QFBILLFUSA-N 438.249 0.722 50 20 ICGD CC[C@H](NC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815307217 MQMUUCYQILETSM-MFKMUULPSA-N 431.522 0.365 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)NC=O)CC2 1817281836 QZARKCQDQKKSLU-CRBXYRESSA-N 445.505 0.324 50 20 ICGD Cc1nc[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817639013 BXATVSSJDAVSBI-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821621813 FHLFASMKCMUCCH-KBXCAEBGSA-N 427.314 0.736 50 20 ICGD Cc1nccn1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053437 OMBCABHUZGHSOA-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829813012 SPVKPOWZCIOOQE-DDUZABMNSA-N 445.310 0.800 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830443469 HGUXIGHTBHWHTI-RRMPHLOHSA-N 440.924 0.855 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831433865 WQCICONZRVLVIY-AUUYWEPGSA-N 444.536 0.443 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1831651644 SEKYNJQUQCBHDL-GJYPPUQNSA-N 427.933 0.778 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSC(=N)N)CC1 1831871468 RKVVFQPEJCROEE-INIZCTEOSA-N 440.614 0.996 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873076 IIRZPHIVJCMBRE-GOSISDBHSA-N 437.585 0.751 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1831876911 MFTHUHVULYUVDK-NVXWUHKLSA-N 434.545 0.227 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832611275 WEYKUZFSXPQESM-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833174168 SLLTVNZGTJWYHT-KDOFPFPSSA-N 432.304 0.334 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(C)C 1833310356 RHLPHEXLHDMBPA-ZWKOTPCHSA-N 431.961 0.745 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833673961 GWSICRMAAGGUAJ-QFYYESIMSA-N 433.278 0.711 50 20 ICGD O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)ncn1 1833967452 XICAICUNVFCVGD-OAHLLOKOSA-N 427.864 0.894 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254298 WQBJDVSOAGMIRL-YFKXMMLCSA-N 444.326 0.061 50 20 ICGD CSc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1O 1838562395 DQOWRUMHBKJUMB-KUHUBIRLSA-N 444.937 0.784 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)ccn1 1838720559 SRIKNUPDVOAZCK-BEFAXECRSA-N 443.859 0.863 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839336874 YRJSGQBQJFQFHA-WIYYLYMNSA-N 448.907 0.542 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839963315 HRNRZWNSVAVKMD-GUYCJALGSA-N 429.315 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840156663 SAVMCAICADPRPZ-JXFKEZNVSA-N 444.887 0.642 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840389063 ZUMTUPBNYKMHHA-PXNSSMCTSA-N 442.944 0.682 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448778 IZESBVOLGUQYAH-RHSMWYFYSA-N 444.330 0.298 50 20 ICGD COc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)[nH]c2c1 1843013911 BPFBZDOJWWHWOX-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c(O)c1OC 1846385815 ZMLXVXAQKNCDHZ-UHFFFAOYSA-N 434.493 0.599 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)CC1 1846386500 SHDYCAZKNPSLHS-UHFFFAOYSA-N 437.541 0.431 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 14329295 FEMVXLIRBKULJE-UHFFFAOYSA-N 445.501 0.117 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 107921626 LLWRQXFNVMWSHX-INIZCTEOSA-N 436.407 0.602 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)NC(=O)CO4)cc2)CC1 728213090 FERXHZKCENMSOU-UHFFFAOYSA-N 445.501 0.711 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NNC(=O)c1cnn[nH]1 729457351 IMZGYXMOOCHLMK-UHFFFAOYSA-N 440.239 0.873 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 732590653 USPVHHCSWVBFFY-NSHDSACASA-N 426.355 0.041 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 733833000 UQRILDIZPPHHBK-KRWDZBQOSA-N 449.423 0.768 50 20 ICGD COc1cc(OC)cc([C@@H](O)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 735683063 MEYJEGLEEGIKSY-SFHVURJKSA-N 444.492 0.774 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(OC(F)F)c1 742065926 KXQLQLZJKLJOMS-SNVBAGLBSA-N 445.448 0.766 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)NC(=O)NC1=O 748538740 WPQJMEMCKYJEHT-NRFANRHFSA-N 437.460 0.209 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)c1 751260579 FUPHVCZVLKWXTA-UHFFFAOYSA-N 428.394 0.930 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1=O 757780770 MGIHJWKGRLMCTH-UHFFFAOYSA-N 444.473 0.750 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)cc1S(N)(=O)=O 763454978 LOXVPLRMDXAJLH-UHFFFAOYSA-N 441.469 0.844 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)CCO1 763681062 ISRLFJJQPWKBAD-HNNXBMFYSA-N 437.456 0.948 50 20 ICGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2o1 763718414 LKJYETDNMLQPMQ-UHFFFAOYSA-N 445.457 0.786 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(N2CCCC2)nc1 763944664 OLQMOYPKNAIBLK-UHFFFAOYSA-N 435.444 0.973 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cnn(-c2ccncc2)c1 763945084 VKTJQMUOMSHFML-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764081004 BODZKPXJPFBALS-AWEZNQCLSA-N 429.477 0.632 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 764167440 JZUZCGGVNAUWDN-SFHVURJKSA-N 443.423 0.905 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 764231003 LKAVOWCRXTWVCZ-LURJTMIESA-N 430.792 0.382 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764634999 HNVBQBWMQYMEER-GFCCVEGCSA-N 430.442 0.457 50 20 ICGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766664601 SCJSIRQAQMFIPD-NRFANRHFSA-N 435.956 0.864 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 771844323 BCWIZEICDAAZFR-AWEZNQCLSA-N 425.507 0.885 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 771939490 OXBOZVXQAJQDIM-ZDUSSCGKSA-N 425.507 0.723 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 772705319 AGAQQXOIOUFNRX-FQEVSTJZSA-N 428.449 0.507 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 779336996 GXXAFTJXUPVIMT-CYBMUJFWSA-N 433.477 0.738 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)c1 779494896 AGIRRYRYBPEAKG-GJZGRUSLSA-N 435.483 0.555 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 792014814 NINQSHQAJCBJLA-KSSFIOAISA-N 441.362 0.606 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1OC 799121872 JGGRTEYIJAUCMR-UHFFFAOYSA-N 427.460 0.283 50 20 ICGD CC(C)(CCC#N)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807591623 BGAZNDNOERYTCT-UHFFFAOYSA-N 437.522 0.981 50 20 ICGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 808103922 DZHITPDHHLAAAZ-UHFFFAOYSA-N 435.524 0.705 50 20 ICGD Cn1ncc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1I 814727566 XSKLBSFSKOCWHT-UHFFFAOYSA-N 438.229 0.915 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1=O 915059798 VTQKOINXQCKWHC-UHFFFAOYSA-N 426.404 0.726 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)N(C)c2ccccc21 919695253 ZTAJKEDLHNAJAB-UHFFFAOYSA-N 431.518 0.761 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1 920934931 NWRYPLREJMYAME-UHFFFAOYSA-N 431.430 0.613 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 921248171 SGCQTGMDGAYHLX-UHFFFAOYSA-N 443.485 0.742 50 20 ICGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 1318295041 JFKQNFGBJNHMSA-QMMMGPOBSA-N 427.863 0.182 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1324174317 KDYYVNOJRSVTRJ-HNNXBMFYSA-N 432.502 0.953 50 20 ICGD Cc1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)s1 1778395124 URPZXIXOBUMQFK-OXQOHEQNSA-N 437.566 0.952 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)O1 1779372723 ZWOFZUUERLZWHG-SAJUPQAESA-N 445.520 0.380 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979562 IRYMMWLKJBGVMR-MGPUTAFESA-N 436.896 0.976 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602398 APWMPCNZIUMFIT-YUYGLALOSA-N 432.359 0.397 50 20 ICGD C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969117 VKHIUTPHGDXCEA-KKSFZXQISA-N 449.577 0.481 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325253 AVTWOTTWZASIKE-NVXWUHKLSA-N 440.273 0.952 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2c1 1782492409 OLXBKTMPTNQBDO-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(F)(F)F)[nH]1)CCO2 1783936302 UCVSITJMTIOMNG-GOSISDBHSA-N 445.442 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1783936507 INEBUCYLPYXKAL-QHCPKHFHSA-N 444.532 0.367 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784617914 QFEULPMBFOXXTP-STECZYCISA-N 437.928 0.686 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986639 SPYYPYNOLHMFCQ-UVVBHOOISA-N 448.328 0.763 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787447722 FBYJWAFNUBRRBM-OSMBCOQSSA-N 442.871 0.963 50 20 ICGD O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788137206 JERAXHIIHNJFTC-ZJQBRPOHSA-N 436.278 0.499 50 20 ICGD COC(=O)NCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149467 WECNDNNXXIYCHK-UHFFFAOYSA-N 425.250 0.470 50 20 ICGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)cn2[nH]cnc(=O)c12 1789175828 KWNDNYSFTGCKJM-GZCFXPHUSA-N 425.848 0.459 50 20 ICGD COC(=O)NCC(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789523698 NJXCOQLTXRORNN-UHFFFAOYSA-N 440.460 0.789 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792980038 CEYLYMSYAPVFTL-CZAMWMTLSA-N 440.884 0.464 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1795114842 CTQVQQRLBQOQGC-GNXNZQSNSA-N 426.267 0.799 50 20 ICGD COc1ccc2[nH]cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c2n1 1796191868 IBIFBBRMMSDNNJ-BJWYYQGGSA-N 448.288 0.817 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2occc2c1 1797037644 VNYXOUVCZWRWKD-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1800641406 ANAYKKOCBMSUOC-UXXRCYHCSA-N 428.331 0.677 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800641479 BXDODDJERKJNKS-FBKDDSFISA-N 429.319 0.083 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(NC(C)=O)c(O)c1)C2 1800979769 ZZZJOSVGWUYLNN-KRXQYRFLSA-N 439.896 0.808 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)ccc1[N+](=O)[O-] 1801836822 MUKTVOZLWGCDKI-LMWOUKEDSA-N 427.841 0.406 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C2 1802272957 ISBHTKZFGRVTTQ-QKPAOTATSA-N 435.974 0.550 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)n1 1803139501 QFEJRTPTADCABB-KBAYOESNSA-N 435.912 0.844 50 20 ICGD CNCCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807138006 VVPUXORNKCLSNR-UZLBHIALSA-N 439.520 0.399 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cc3ncccn3)C2)CC1 1807232896 IKMJTEQBXOITSO-UHFFFAOYSA-N 437.504 0.563 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360304 KCUHHDVEFJHXKW-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cn1cc(CCC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cn1 1809976626 KXGSNRDDXBNUAC-UHFFFAOYSA-N 438.337 0.578 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)nc1 1811459284 MJQLZLQQJDZPJY-UWJYYQICSA-N 446.272 0.495 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)nn1C 1813070469 JJDBIFQONRWNKR-UTKZUKDTSA-N 441.536 0.816 50 20 ICGD O=C(CC1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814605448 CQZSNNDYISCGNY-MRXNPFEDSA-N 443.334 0.865 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348150 FSZAYAQOSCGBGW-CHWSQXEVSA-N 437.714 0.303 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1 1815671415 RBPIQXDXMBZXLD-IUODEOHRSA-N 435.909 0.667 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817473521 YZNUPDBDVUELJD-SFHVURJKSA-N 426.282 0.822 50 20 ICGD O=C(O)c1cnncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1820493540 OGOAVTKJHTVIOS-WRWORJQWSA-N 425.854 0.457 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056338 XFKAIYYVONUOGV-UZLBHIALSA-N 443.353 0.514 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3)sc2C1)c1cccc(B(O)O)c1 1827285018 UUCXDGJEFHQDGP-DZGCQCFKSA-N 431.348 0.944 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Cl)CC1 1827606984 BPUNZDYJVAFPFR-JSGCOSHPSA-N 425.852 0.580 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731854 QZWCFRFMYREARE-MDYRTPRTSA-N 425.913 0.543 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830969327 XQPLDJCYMVMKCC-YJBOKZPZSA-N 441.326 0.649 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470260 YWCMMOPHOIMCRE-IFXJQAMLSA-N 427.885 0.563 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)nc1 1833600441 ZYRHQPJNVUHGRD-PBHICJAKSA-N 449.888 0.090 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833766830 WXUKFASGAAZPSD-GJZGRUSLSA-N 427.933 0.174 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cncs1 1834293140 INBBQJCLUWRPIE-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834967596 YONOSRASXDPSPZ-XLIONFOSSA-N 444.887 0.915 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc2nncn2c1 1835581662 MSDRVQKNOLGEHA-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835934148 MZEYBIFZCSSXCL-BSRJHKFKSA-N 444.337 0.263 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837715967 UKAOOZYBISHWEQ-GOSISDBHSA-N 428.558 0.248 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)N1 1837782681 ICSIFZWLIHOUMO-HIFRSBDPSA-N 434.306 0.954 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C3=COCC3)CC2)CC1 1838395314 BWLXTXRTWDYQJW-UHFFFAOYSA-N 443.504 0.602 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198585 JNNQAOSBSQUCDM-RHSMWYFYSA-N 447.305 0.797 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006188 SZCYGGDXYUWMFF-CKIVDRAYSA-N 428.913 0.804 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030462 NACRLZUTCFEKCD-MRRJBJDNSA-N 434.331 0.141 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1840069269 XZBZSTOPUFOSJS-UWJYYQICSA-N 440.924 0.602 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840153558 SLTRLBPRNIBSCK-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(C#N)c1 1843011904 ITIBVNBJDSZCGD-UHFFFAOYSA-N 433.273 0.306 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc3cccnn3n2)C1 1844629832 VZCGKTNCVJONHM-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1846349629 CAHNDZUXRWQGAL-GJZGRUSLSA-N 443.504 0.482 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1846384863 SKCHQAWHYLWLMM-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846447604 ZUPPYMIFRFPJLS-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(c2ccc(O)cc2)CC1 1847592183 OLIIIBRULQAMAX-OALUTQOASA-N 435.484 0.938 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847631461 WSCUFFUYWCIXFP-CMKODMSKSA-N 431.537 0.551 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847956515 BAAGGYWBALLGID-OKZBNKHCSA-N 443.309 0.191 50 20 ICGD CSc1nc(C)c(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)[nH]1 14346610 WIUUMUVVVIGMIW-UHFFFAOYSA-N 428.474 0.441 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc4c(c3)CCO4)nc2)CC1 726272442 KVKKOFNRKIOIPL-UHFFFAOYSA-N 446.533 0.779 50 20 ICGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 726865763 FUFBWMRJHWCPSY-UHFFFAOYSA-N 445.439 0.636 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc(-n4cncn4)c3)cc2)CC1 728216390 YWTAUHXBBTVIRU-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728333407 XQBXIZBYQNPCND-RHSMWYFYSA-N 433.461 0.554 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(Br)cc2Cl)C1=O 728827220 MSNHBCPCEDLILQ-UHFFFAOYSA-N 443.641 0.840 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(F)ccc2N2CCOCC2)n1 730863734 XGBUDERINBFRCQ-UHFFFAOYSA-N 436.465 0.974 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC)o2)cc1C 736778690 SMXKQOYTTUSTCL-UHFFFAOYSA-N 429.476 0.738 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCCC[C@H]1C 737054381 NHYPNBJYHFZSSG-ZIAGYGMSSA-N 439.538 0.670 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([S@](C)=O)cc2)CC1 743420220 YGFDBRJZENGMCE-NDEPHWFRSA-N 437.547 0.512 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 744384726 GSJIURUNKRRXDV-UHFFFAOYSA-N 435.484 0.908 50 20 ICGD C[C@H](CC(=O)NNC(=O)Cc1cn2ccccc2n1)/N=C1/NS(=O)(=O)c2ccccc21 746641600 PWPNSJQHUSKDLC-CYBMUJFWSA-N 440.485 0.542 50 20 ICGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)COc1ccc(Br)cc1 746972693 LUIVELIWSJKRFC-UHFFFAOYSA-N 437.316 0.486 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)NC(=O)NC1=O 748012901 PTSYEVYTJMFECZ-LJQANCHMSA-N 444.473 0.109 50 20 ICGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1 757754266 AQPDUFGZRWFDEK-UHFFFAOYSA-N 434.482 0.503 50 20 ICGD O=C(CCCCNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 760445973 DKMOJWFWRMKKKW-HNNXBMFYSA-N 426.495 0.601 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572362 QUZAPMVCDIRAAH-KRWDZBQOSA-N 426.429 0.243 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)n1 763739038 XTPSAUIJCSUNIR-UHFFFAOYSA-N 449.489 0.114 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)o1 764138719 ILYFTSOHNJVSDD-UHFFFAOYSA-N 426.437 0.497 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)CSc1ccccc1O 765247278 ACAGGDRNGDPNMX-INIZCTEOSA-N 436.534 0.345 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)nc21 770982393 HTDHXDXROMQQKJ-UHFFFAOYSA-N 427.393 0.159 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 771930103 MIPKBLYRJJWGQN-QWHCGFSZSA-N 431.536 0.946 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 772035456 GJUOAOALZOWSGD-NSHDSACASA-N 437.474 0.732 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2COC3(CCOCC3)O2)nc1 777756028 GQSNXDWMTKWSOK-ZDUSSCGKSA-N 429.499 0.317 50 20 ICGD O=C(CCn1cnc2sccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 777777422 IVAWBRTVKOANPI-UHFFFAOYSA-N 449.352 0.675 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)NCCc2cccs2)[C@@H](C)O)cc1 779503835 UTWUZIBPZNLXPK-CZUORRHYSA-N 440.547 0.657 50 20 ICGD COc1cccc(NNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)n1 780768995 LLSTWONQWJAEPM-UHFFFAOYSA-N 433.490 0.700 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(OC)c(-n3cnnn3)c2)c2ccccc2c1=O 781560599 GTQOKMOGJKVASL-UHFFFAOYSA-N 448.443 0.866 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CCS(=O)(=O)C1 783425150 BJWJBKAKONPFKB-FQEVSTJZSA-N 431.518 0.961 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)n1 785225126 DWVVRCBUOCNVEQ-UHFFFAOYSA-N 426.441 0.389 50 20 ICGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 786723343 GWVPNZMAMJMZEQ-UHFFFAOYSA-N 436.425 0.450 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 790951005 AUXGYPYAVOVRRB-AWEZNQCLSA-N 426.433 0.351 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@@H](C)O)cc1 791871922 BSPCGTGRBXABKO-KUHUBIRLSA-N 446.485 0.121 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C 802066743 XRFXOSWKXIPQIA-UHFFFAOYSA-N 440.503 0.821 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 806979503 XPGUXSRLDQFGEB-AWEZNQCLSA-N 448.451 0.482 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1F 810386146 NRGWZNCLYCSJAD-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 812979469 VJAYOKBIYRNHGD-UHFFFAOYSA-N 425.445 0.027 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CNC2=O)NNC(=O)c1cccc(Cl)c1 814521296 JKRCYGDQEOENJD-UHFFFAOYSA-N 430.804 0.640 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn2ccnc12 815565255 HVWPKSDBSSKGLR-UHFFFAOYSA-N 444.473 0.293 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(C(=O)OC)c1 815607756 HUZARGYMNCKXEB-UHFFFAOYSA-N 439.428 0.596 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 815751969 WTNYIBIOHOAGJS-UHFFFAOYSA-N 449.489 0.273 50 20 ICGD COC(=O)c1cc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C 816688046 AUNDRSKYQLIREU-GFCCVEGCSA-N 434.474 0.691 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C 912953105 NYZABMBHYPOINC-OAGGEKHMSA-N 437.518 0.254 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CN2CCOCC2)c1 916470503 NFXRBPBDGYORJZ-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 918109150 WRBAMOZONYCJAG-QGZVFWFLSA-N 448.501 0.525 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 918758250 GCFYMLGXQJBZQD-UHFFFAOYSA-N 444.517 0.399 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)NCCCN(C(C)C)S(C)(=O)=O)cc(C#N)n1C 919044726 YCWGYPNQEFPLBY-RQZCQDPDSA-N 449.533 0.832 50 20 ICGD COc1cccc(CC(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)c1 921061934 XFRVWUZYSCGOQS-UHFFFAOYSA-N 445.545 0.537 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(Br)cc3)n(C)c2n(C)c1=O 1317953070 PCAUQXNFHBKPOH-UHFFFAOYSA-N 434.250 0.413 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 1320872259 IZTDZADJDWQHNF-CYBMUJFWSA-N 429.520 0.534 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778712806 AWDJGNDQYSXTNG-VLIAUNLRSA-N 435.864 0.519 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780124052 PZECWJJLKLBOEY-PXNSSMCTSA-N 426.897 0.491 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1780999219 TYQBYDOPCCJREA-HRJSYZDASA-N 444.536 0.292 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659409 PIJFCRQDPFMGJR-GUYCJALGSA-N 427.299 0.104 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1783936058 BNOTUBKHEHVZLS-AVRDEDQJSA-N 429.521 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1783937767 XMSINBACDINJHE-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993592 PLNHNEOQQAXGID-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD Cc1ncc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)s1 1784437840 GGESRLIBMULVOF-FQEVSTJZSA-N 444.517 0.136 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784799767 PWWHATOPZPKAHR-JONQDZQNSA-N 425.913 0.689 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785172871 VDSAONSCZQUSSK-NXOAAHMSSA-N 438.912 0.045 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cc(C)cnc34)[C@H]2C1 1788338110 QMXGDQMCDMVJSG-LLLHUVSDSA-N 435.912 0.885 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(C(F)(F)F)n1 1788894381 VLAYEWOBWSIIMF-UKJIMTQDSA-N 438.834 0.632 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)nn1 1789103869 PUTZNVNNKZOUPS-WRZDFSGXSA-N 431.262 0.769 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)cc3F)[C@H]2C1 1789649366 VSGZODJYRWWWLN-OWQGQXMQSA-N 438.475 0.931 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789751498 UJWIYCXJGWIDMC-AJNGGQMLSA-N 433.933 0.479 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(Cl)c(O)cc1O 1789992648 OBZAMLBTXAMZQU-JIVACREVSA-N 433.288 0.944 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1792871214 RQBIWXIPHXOXQS-HSSPYEMXSA-N 428.327 0.442 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)C(C)(C)C 1793198176 SWHWSYGFHAJFML-MVJTYMMSSA-N 427.618 0.978 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1CCCC3)C2)c1ccc(B(O)O)cc1 1795736854 KYVIXHGPGPJVHT-BBIADKPPSA-N 448.328 0.762 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2ccoc2c1 1796229921 LFLWUOCVCWWODL-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972726 OJLKHASPGAFOEG-HXUWFJFHSA-N 443.353 0.516 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2(F)CC2)[C@H]1c1cccnc1 1812458226 DIXDVPRRAWSUPR-WMLDXEAASA-N 426.452 0.902 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1 1813069026 SDMFIEXTALFKSW-JTSKRJEESA-N 439.520 0.493 50 20 ICGD CN1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815343807 PZDMFOGNEFPQBR-GOEBONIOSA-N 442.350 0.391 50 20 ICGD CC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816296 DAGTVPFEGGKGRY-JOYOIKCWSA-N 433.860 0.859 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793285 LNRQLPBPOLMWCI-RYUDHWBXSA-N 444.517 0.959 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cncn1 1826091723 ABDVKIQDFQVCRK-VXGBXAGGSA-N 434.526 0.281 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n(C)n1 1830538253 ZWCKMGBFANVPED-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832630261 BMMXIXUOKVJZKY-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnnc(Cl)c1 1833890403 UYJGHASWSXTCFE-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834525623 CTHZJULFNTXCRJ-CJNGLKHVSA-N 443.386 0.868 50 20 ICGD CCn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cc1C 1835989202 FPMQLHRWNGZGAS-GOSISDBHSA-N 425.961 0.996 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835991147 PWDDIEVXCUMJKH-QFBILLFUSA-N 428.917 0.063 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836895551 IGLLFTGNVYLGES-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839063812 XZCWWVPCRURXKU-GJYPPUQNSA-N 446.386 0.816 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839553259 PJZHTMNUQKTNBV-FOIQADDNSA-N 436.896 0.658 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840030741 VHEPJNGGEWDKOI-ACJLOTCBSA-N 449.342 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840034189 CRVFOLQRYVMSPJ-MEDUHNTESA-N 449.733 0.927 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccno2)C1)NC(=O)NCc1ccccc1 1842438760 PTXFWJWGLQFJAX-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(=O)OC(C)(C)C 1843010916 UTCKVRYUYGPDJW-UHFFFAOYSA-N 431.298 0.050 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847878674 RONVSUZOSOOTLX-SWORYUBOSA-N 430.509 0.485 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccn1 20887976 OMLNZECZRWVADT-HNNXBMFYSA-N 438.893 0.729 50 20 ICGD CCN1CCC(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 726277899 HKBRSLANHMHTAW-UHFFFAOYSA-N 439.586 0.376 50 20 ICGD O=C(NCCc1ccc(I)s1)NNC(=O)C(=O)N1CCCC1 727034667 RWJZGHHODWVSJY-UHFFFAOYSA-N 436.275 0.848 50 20 ICGD COc1cc(C=NNC(=O)C2CCN(c3ncccn3)CC2)cc(OC)c1OCC(N)=O 728783304 JIALTDQIBXRHRA-UHFFFAOYSA-N 442.476 0.725 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)nc1 741092763 IYZGUIHPIYREAO-STQMWFEESA-N 433.556 0.750 50 20 ICGD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744402346 NIZVKRHLGPYJQH-YLJYHZDGSA-N 440.548 0.632 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 744787762 GVAXMFKCGBOOJU-UHFFFAOYSA-N 429.454 0.786 50 20 ICGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 746093351 OMSDFEFPPMVVNB-GOSISDBHSA-N 432.502 0.257 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746760619 YLCJXMJOQSFQLY-UHFFFAOYSA-N 430.490 0.658 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 747906720 TYOBDEKHAYKDLK-UHFFFAOYSA-N 425.511 0.091 50 20 ICGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 749522865 JDBJSFZWEMJOER-BZPMIXESSA-N 425.490 0.474 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)NC23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O 750987318 OOMFUYQBAZGHDT-UHFFFAOYSA-N 438.579 0.035 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 753859688 QOUNGTXBYAATFA-UHFFFAOYSA-N 425.488 0.458 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 756315199 NJMKTPDGMOSLEJ-ZETCQYMHSA-N 436.372 0.846 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)C2=O 757720160 GEUXNAOAJPUYAG-VPEYGQHGSA-N 437.541 0.380 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763578312 OKCFIPYKDNPLRK-INIZCTEOSA-N 429.385 0.408 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)ccc1C 763665903 QWFJQCOCLCRGGB-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763677957 ACYRRMDNOTYYBN-UHFFFAOYSA-N 432.408 0.458 50 20 ICGD Cn1ccnc1-c1csc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n1 763814081 OLEBPFIHOLSMSA-UHFFFAOYSA-N 425.430 0.580 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 764001061 ZXBCFNWADBYWSN-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)c1 764001716 CVIDSXDERHIZPF-NSHDSACASA-N 443.453 0.302 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 764004329 DAJUKCRLTAMEKQ-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 766272300 RWIHWGIXSTZEMV-UHFFFAOYSA-N 428.858 0.471 50 20 ICGD CS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777832581 NLSCELUBWXPAGT-UHFFFAOYSA-N 425.326 0.530 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 779376310 DHYAMUPHNGWPQG-LLVKDONJSA-N 426.886 0.926 50 20 ICGD COC(=O)c1cccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 780796904 NENQMEWGBWQXPN-UHFFFAOYSA-N 432.458 0.351 50 20 ICGD CCc1cncc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 789991569 SDNMDJKEDMSJRK-UHFFFAOYSA-N 445.545 0.720 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 806669467 RIPDTKZQHQYBGB-GOSISDBHSA-N 447.469 0.778 50 20 ICGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNc1cccc(OC)n1 806969086 XHPNKRBZSVBANW-UHFFFAOYSA-N 438.462 0.601 50 20 ICGD COC[C@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 807551488 UKKGAKBIXPANIL-LJQANCHMSA-N 427.502 0.355 50 20 ICGD Cn1nncc1CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 807614781 GKBHXRHKLWBJGU-UHFFFAOYSA-N 435.491 0.822 50 20 ICGD COc1cccc2c(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n[nH]c12 809143512 UZJITQFLYJIMCZ-UHFFFAOYSA-N 431.474 0.962 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1 811462436 PKKFVSKYMDYDAC-NSHDSACASA-N 430.870 0.838 50 20 ICGD O=C(NNc1ncncc1F)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 814521764 LUPGNCCTUQWHIR-NSHDSACASA-N 444.470 0.230 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 819659369 UZSLZLNJXWLNNF-CWTRNNRKSA-N 425.486 0.549 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnc2nc(O)nc(O)c2c1 915671257 MLKHOHFMXKBNAD-UHFFFAOYSA-N 431.434 0.112 50 20 ICGD CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(S(N)(=O)=O)cc1 916339075 ZJAPDJBPOFFHQH-UHFFFAOYSA-N 430.895 0.789 50 20 ICGD CC(=O)NCCCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916521835 QBGLUHLGOHRYJJ-UHFFFAOYSA-N 436.476 0.859 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 919820236 PGBXTXSIWZFEHM-UHFFFAOYSA-N 448.501 0.664 50 20 ICGD CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1115886631 BLMWFGNDKOLUCL-LBPRGKRZSA-N 428.536 0.434 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNc1nccc(N2CCOCC2)n1 1319357862 WKCOUSKNLUFFEG-UHFFFAOYSA-N 444.496 0.030 50 20 ICGD CN1CCN(CCNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C 1321210361 OYMFKHGVZDVJMX-UHFFFAOYSA-N 440.589 0.990 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2nccn(C)c2=O)CC1 1330780855 ZSPQRVGEGBMFHQ-UHFFFAOYSA-N 449.489 0.111 50 20 ICGD O=C(c1cc2ncccn2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778465386 LAGNKLVHUMPIHP-BBRMVZONSA-N 426.246 0.863 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778605905 XXYCQTRMUMIQOS-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1778949235 BBEJYNWLONLNKH-AHIWAGSCSA-N 433.347 0.555 50 20 ICGD N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1 1781793348 JFGMNSTZZYRLMF-HSZRJFAPSA-N 448.483 0.508 50 20 ICGD C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781799404 QLXVQJUNLKQYFP-YLJYHZDGSA-N 436.264 0.705 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782674069 ZPCKFNDYTPJKPH-AUSJPIAWSA-N 438.912 0.284 50 20 ICGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Cl)C3)c(=O)nc1O 1783113212 HVFRKHSYQUVFDO-UVBSCNOISA-N 430.864 0.306 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783532050 IBQJZRNCBLVYCH-PIGZYNQJSA-N 425.283 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 1785944343 SVNWEHWLEYKDNZ-ZPSROVLTSA-N 438.488 0.809 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787445828 NZVZNTWNCHMANJ-BCJGNJTBSA-N 427.864 0.635 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1cc(=O)nc2sccn12 1789136173 ADJIXPKFAUMAEO-WRZDFSGXSA-N 428.873 0.884 50 20 ICGD N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789507949 VUONWXLSBCFOQF-JBACZVJFSA-N 433.273 0.145 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749648 VDWJTTGYHXBKFH-CGEFAEBTSA-N 441.377 0.780 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1793448372 ANIGFIFEQMMBFU-QEOTZNIISA-N 432.901 0.478 50 20 ICGD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(C)c1 1799723135 VAOVUYBJGDUWFK-FAQVEIGNSA-N 446.548 0.888 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802226404 HMGJOPHOQQEBDH-LXTVHRRPSA-N 445.944 0.887 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523439 OTERCBZQGPAJFN-YQCVNYCESA-N 437.928 0.951 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nccn2C)[C@H]1c1cccnc1 1805898590 UQBVWSYXOWTZDB-VQIMIIECSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369479 LMHYORKPDNXMBH-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369566 OTMGGBCRUDROLM-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1810646915 KAEXNMZRGCVGBB-RXVVDRJESA-N 447.304 0.735 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195079 BXFDUYFHRUTHCA-CTNGQTDRSA-N 446.272 0.028 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812869461 XEXPUOKSTOZPDM-VLVIQNCWSA-N 425.327 0.594 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814901111 QETHBVVPUWDQQZ-LBPRGKRZSA-N 441.278 0.241 50 20 ICGD CC(C)(C)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355032 ZWGQFEFRYSNOBY-AWEZNQCLSA-N 430.339 0.437 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477406 YHGXSBMBPICAHX-KDOFPFPSSA-N 427.314 0.736 50 20 ICGD O=C(Cn1ccccc1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817515872 KJUVQLSKUMFKGR-GOSISDBHSA-N 449.276 0.257 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401630 LVVPBTQEBSCVBR-DYVFJYSZSA-N 439.476 0.752 50 20 ICGD COC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795254 LLLKDFMDJHHCIL-JTQLQIEISA-N 446.489 0.321 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830199585 BAGMWZLQAHQZHB-NQIIRXRSSA-N 440.924 0.820 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1830325408 XFZUNYICSWFYIQ-DDUZABMNSA-N 448.358 0.389 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830332411 JVAGRSMMSWIOAS-XJKCOSOUSA-N 438.294 0.048 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726951 XPCLAKHJJLJYGC-APWZRJJASA-N 429.876 0.209 50 20 ICGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832357563 PKDSDAKMBSUKBW-GZRFBZBPSA-N 445.919 0.768 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CNC(C)=O)CC2)CC1 1833546356 SRIKBTLBUCFUSP-GOSISDBHSA-N 445.004 0.974 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833673959 GWSICRMAAGGUAJ-HWPZZCPQSA-N 433.278 0.711 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883587 QAPWQWWIBHEEGM-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834590991 DWKGWBVPAVVGGA-ACJLOTCBSA-N 443.294 0.741 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(F)c[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834799018 JWUDSCRLCLXTFD-UHFFFAOYSA-N 442.300 0.333 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857043 MOKLABNILDQFKI-DYVFJYSZSA-N 435.315 0.570 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835684142 KJDOJGZYHOCSTL-ZDUSSCGKSA-N 443.850 0.263 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1836371859 CMVFKIRKRBJRDV-CRAIPNDOSA-N 431.984 0.728 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836870138 AWOIXVMKMJZFBO-QGZVFWFLSA-N 438.569 0.949 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837716017 XQNVKLJCOYLCPX-BEFAXECRSA-N 446.573 0.856 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1838091452 OMWPGQWPEUEFAX-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c(O)n1 1838672049 CAUKMXUXLQHYLI-SUMWQHHRSA-N 446.273 0.856 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838686878 IXXQZLFVTHPGFV-RXVVDRJESA-N 448.907 0.746 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1838785034 DKHKAQAWPHZJBZ-JXFKEZNVSA-N 448.944 0.855 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)s1 1839198803 BQKCYRHNVNZESD-YGRLFVJLSA-N 437.291 0.486 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cs1 1839199807 VEGZSKZVQUTTLJ-YGRLFVJLSA-N 437.291 0.486 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840150754 RBAKHEAGIFOYDO-UZLBHIALSA-N 443.903 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840155369 ZKVOZCFMFUBCJB-ORAYPTAESA-N 444.868 0.127 50 20 ICGD O=C(CCN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840940624 UIKNXRPVWUHJSJ-WBVHZDCISA-N 436.322 0.619 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385667 GEGYWTAFQZHOCZ-UHFFFAOYSA-N 430.484 0.972 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 26318818 CSNDLXJIMDWNRN-UHFFFAOYSA-N 437.503 0.406 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(OC(F)F)c1 728545089 XIOCYCGHZQLQOD-RYUDHWBXSA-N 431.417 0.085 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=C1CCN(CCN2CCOCC2)CC1 731557676 VXQYXYLPOYISMZ-UHFFFAOYSA-N 436.582 0.802 50 20 ICGD O=C(NCCCNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 732236379 VGTOCNFGNQYVMF-UHFFFAOYSA-N 426.412 0.566 50 20 ICGD O=C(CN1CCC(=O)NC1=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 732279622 NVHUYJRLPVEIKN-LJQANCHMSA-N 435.484 0.703 50 20 ICGD CN(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1 734240531 SMMYUJZFPABQMD-UHFFFAOYSA-N 429.499 0.162 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 740852232 RGEVTEGAJSHQFJ-UHFFFAOYSA-N 430.502 0.968 50 20 ICGD C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)CNC(=O)c1ccco1 743578661 YWWOABBGJTYACU-MRXNPFEDSA-N 428.493 0.551 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 743580378 XXOXZQYWBRKAJU-OWCLPIDISA-N 441.513 0.965 50 20 ICGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)CS2 744620770 NIJVOMSZRBUYBS-KDOFPFPSSA-N 440.547 0.605 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 746338908 IIHDMEIOBVZKJQ-GFCCVEGCSA-N 440.382 0.431 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1OCCC(C)C 748546300 HESTWRHCMGIVEE-UHFFFAOYSA-N 439.494 0.425 50 20 ICGD O=C(NCCc1ccc(O)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 749347629 TWBSUIXKVMJRBI-UHFFFAOYSA-N 448.501 0.600 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 756095219 MIYCNWYPSDNIIL-HLNSEHPISA-N 430.436 0.731 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccc(F)cc3)cn2)C[C@@H](C)O1 756840239 UVTFJUCRUCVDRO-OKILXGFUSA-N 448.455 0.890 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 762965365 WMWJGOWELFIBBE-LBPRGKRZSA-N 443.485 0.405 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1C 763623902 QDYKIMYVDIJSIX-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 763629641 FXIJYEHAZJWMHN-OAHLLOKOSA-N 438.440 0.365 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)cc1 763662635 YFXWUBMHLFOOIC-CYBMUJFWSA-N 444.444 0.834 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 763712379 FWCFUDZJCBTNOI-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 763766797 DCZJNVKTVNICMI-UHFFFAOYSA-N 444.492 0.796 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763977952 BPYXXHVXWCGQCT-UHFFFAOYSA-N 445.819 0.497 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1=O 764152056 BWUSYLGQKWRUEN-ZDUSSCGKSA-N 435.234 0.237 50 20 ICGD COc1cc(OC)c2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)[nH]c2c1OC 764344300 XJFBDKBNPVVCKT-UHFFFAOYSA-N 427.417 0.780 50 20 ICGD Cc1ccc(SCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765722252 UZPBZMKHCOISAV-UHFFFAOYSA-N 444.517 0.380 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2nccn3c(Br)cnc23)cc1 769882707 RLDFJLAEHNQITJ-UHFFFAOYSA-N 443.217 0.981 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 771914040 DNOXSMMPPFJYBW-ZDUSSCGKSA-N 436.490 0.448 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062188 UGMGDFJLKIYZGC-UHFFFAOYSA-N 449.489 0.507 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 784002185 MBZAYQBFGUXOCC-UHFFFAOYSA-N 430.808 0.635 50 20 ICGD CCOC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003201 BURBXVLFWSTKHO-UHFFFAOYSA-N 438.487 0.811 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1C(=O)N1CCOCC1 787542899 FSGRZDNXHYHVEN-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)nc1 789745479 BRKAPFKBIZZSBA-UHFFFAOYSA-N 446.489 0.369 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F 792881212 FHHUTWGDNRCQPI-LLVKDONJSA-N 430.339 0.972 50 20 ICGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1F 797369462 YIHLZHOCVJMNLT-UHFFFAOYSA-N 436.371 0.986 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cnn1-c1ccc(Cl)cc1 815691254 JXKIYYDJBRLSBW-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 913429656 PZAHHSRFVROIAA-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(-c3ccccc3)nn2)cc1 914748140 JBJRYXIHVXYCJJ-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD COc1ccc([C@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)N2CCOCC2)cc1 915896433 DQQBOPKYBSNWIV-HKUYNNGSSA-N 426.539 0.450 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1C 916562343 PHNKVDHBOAXYOX-UHFFFAOYSA-N 432.502 0.985 50 20 ICGD CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC 919877586 AGKKXMQTVPYZNW-QMTHXVAHSA-N 447.945 0.695 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N[C@@H]1CCS(=O)(=O)C1 919889509 NNDGTOHWAOUDFE-CYBMUJFWSA-N 448.501 0.746 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780014152 JNOAAQVCNSSADB-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781230075 MOWLZGMDPZPBLO-ROUUACIJSA-N 444.319 0.365 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331720 VCWOPRNKMGCBHE-DYVFJYSZSA-N 444.257 0.987 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781866315 DTXJWIDHNIRJLB-QQKZVCBYSA-N 439.896 0.840 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1781997063 APPQMTJIVKQXSH-WPKBUWHJSA-N 443.342 0.892 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1782001676 JBTQLCNDWHILIW-CKEIUWERSA-N 428.331 0.966 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212313 RDWHCVRUPGBOLB-XMSQKQJNSA-N 448.568 0.965 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783160294 SJLYZPVLHNXQDK-ZVYZCIRASA-N 432.427 0.967 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783534979 UFPXZVBIRHYNMZ-SUMWQHHRSA-N 429.315 0.756 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1783877805 QGQLFTOVJFTKDH-CWFSZBLJSA-N 437.880 0.805 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937511 SOEXUDQYYKYRDF-VGOFRKELSA-N 431.537 0.463 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938106 UMMRYWDZWCKZFO-NRFANRHFSA-N 434.541 0.175 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C[C@@H]21)[C@@H](O)CCl 1784091886 FJAIWPPOWQXZKY-YPTDYUDTSA-N 437.880 0.301 50 20 ICGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)cn1 1786404411 OBRFCVRSZUHJLJ-OBJOEFQTSA-N 427.299 0.864 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cnc(O)nc1O 1787431088 UNPOAKHWSFEVAE-DLOVCJGASA-N 429.271 0.266 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@@H](F)Cl 1787444030 JFQPMQODMFGGRS-YLHIVMMESA-N 442.875 0.507 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789927014 NVKDIDFIHHCUTN-RMEBNNNOSA-N 436.322 0.961 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1790963671 JPWYTZPGQCGUAN-XUXIUFHCSA-N 439.372 0.574 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3cccn3C)[C@H]2C1 1791695698 ZPIJZKPTGONDMX-ABHRYQDASA-N 426.311 0.971 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793844196 MWJVEGSCYZJNQP-RUMRUAAYSA-N 448.328 0.301 50 20 ICGD O=C(CN1CCc2sccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793895920 VOTIRCOUIUZPRE-KRXQYRFLSA-N 427.954 0.296 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)s1 1794687454 JDYPKPQFOLWCHK-CULMDFNYSA-N 449.920 0.917 50 20 ICGD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cccnc1 1795679665 MPDZAKUFYKSLMU-AKIOZOGOSA-N 429.290 0.752 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccc1F)C2)c1ccc(B(O)O)cc1 1795732957 UQERXWCPOHQVQG-HBCWATKFSA-N 446.671 0.676 50 20 ICGD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1OC 1799703185 CTUDQPPWWPQZBY-HRJSJKBJSA-N 426.897 0.815 50 20 ICGD CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1800475919 OGOXGFNUCLQWDG-XFMPKHEZSA-N 431.917 0.687 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(C)(C)C)cn1)C2 1801011657 XMRZMOFQFOWDJJ-YVWYUNDQSA-N 446.552 0.350 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801511644 AAURPKREZJKTPF-VWKPRPGLSA-N 449.533 0.336 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807362444 HBOYHWYVRGIUOC-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376270 UXBFMYRYYSLXBC-UTKZUKDTSA-N 449.272 0.480 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1808661352 JGHMPYIGFSTCJJ-SNPRPXQTSA-N 441.305 0.618 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC2(CCCN(C(=O)CCBr)C2)CC1 1809066894 VWUHQGQTQQJJLS-UHFFFAOYSA-N 429.315 0.554 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1ccnn1 1809974657 ZAEZVYHEWKBXQO-INIZCTEOSA-N 425.298 0.064 50 20 ICGD Cc1nnsc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071357 RVYNCRRQEPACBM-QAPCUYQASA-N 445.549 0.934 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074999 YNTRGWZRPCYEBO-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)on1 1815713082 YLTYGEHMCVZWCE-GOSISDBHSA-N 437.265 0.935 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716691 QPRQAXWAUGEFND-GXSJLCMTSA-N 444.286 0.728 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1827060419 IHNHEGFIQCECLF-AZUAARDMSA-N 441.337 0.126 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1830364197 BLGOFEVSSDCULW-HXUWFJFHSA-N 438.912 0.742 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1830539537 IDKYKQQLLBXPQH-GUYCJALGSA-N 427.299 0.578 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725707 RIGCNIWKNPHKQV-HNAYVOBHSA-N 428.917 0.308 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831074209 YNXRXCKXKOYOAO-DYESRHJHSA-N 429.370 0.940 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123228 CGYFPFGTTRAAPG-CXAGYDPISA-N 427.299 0.259 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)[C@H](O)CCl 1833312444 NIIKNYXXVRPHSW-GNFOSXPUSA-N 427.977 0.629 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1833810369 IPQNQJTWWYTTFR-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD Cc1nc(N)sc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834751861 CEYGLGVZMJEEIN-AWEZNQCLSA-N 429.974 0.819 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1835837511 JKNOYWGSRZJZPR-UHFFFAOYSA-N 447.674 0.844 50 20 ICGD CC(=O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n[nH]1 1836715090 IQMXRIJHRCZHAG-QGZVFWFLSA-N 426.901 0.824 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1837588639 BDOJGUXIZAGIGA-GDBMZVCRSA-N 433.278 0.408 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964679 OZPBZAGWSHJCCU-ACJLOTCBSA-N 445.310 0.873 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838932505 KELRZTKIDADFFU-YLJYHZDGSA-N 442.896 0.374 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839965608 FINKDDQXJGRRNM-YVEFUNNKSA-N 443.298 0.013 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840032263 SWVOOJNHLAJCFT-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840034404 JUVYENUKKBFAPU-BZNIZROVSA-N 447.717 0.983 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)C1 1840146565 RLSLNWHGUSLPRT-YGTYGHESSA-N 434.892 0.957 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(O)c1 1844264753 DKCZINGLABBSED-UHFFFAOYSA-N 425.445 0.530 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccon1)C2)NC(=O)NCc1ccccc1 1845038437 BVKHIYNIGVFPPF-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCc2c[nH]c3ncccc23)C1 1847029188 URTSXOCCJBSJGT-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD Cc1nnc(NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)[nH]c1=O 11548103 AQKSFENPRIUBDL-UHFFFAOYSA-N 426.458 0.982 50 20 ICGD C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 21967741 TYIWJBPHTKNZGL-ZDUSSCGKSA-N 445.501 0.945 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 26068674 UEZZOIWHWXELQZ-UHFFFAOYSA-N 447.469 0.699 50 20 ICGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)c1ccc(F)cc1 108045905 MGSNJTNYORNRHO-LLVKDONJSA-N 442.494 0.742 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 726872104 UYSHCISLYDDXBA-UHFFFAOYSA-N 436.519 0.548 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 728205998 PKWDBZLHZIIGRL-QGZVFWFLSA-N 428.424 0.514 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 729692175 NCCYDMRZSIQARV-LJQANCHMSA-N 428.474 0.875 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 740851113 QKBFFNRQGHLEHH-UHFFFAOYSA-N 439.266 0.497 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1 742077249 WRDHVGFUOZPIKX-UHFFFAOYSA-N 443.485 0.552 50 20 ICGD O=C(CN1Cc2ccccc2C1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621142 RTZMWZGHSVMHHJ-UHFFFAOYSA-N 430.486 0.807 50 20 ICGD CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1 745515803 AJHQTXMOEQREDO-HNNXBMFYSA-N 445.432 0.038 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 746123347 MGXBNEYUNKUSNQ-UHFFFAOYSA-N 428.492 0.180 50 20 ICGD O=C(CN1CCN(C(=O)c2cccc(O)c2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 746461560 INQZBEUYAVXQKN-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 752256397 KGYDNZVPHOKJAM-ZDUSSCGKSA-N 429.813 0.728 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 753454379 ROGSLNHUSTTZBX-UHFFFAOYSA-N 428.858 0.295 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 753692338 SRFRQCITVJDANA-ZIAGYGMSSA-N 428.511 0.607 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)N1C(=O)c2ccccc2C1=O 755193361 DKVAOXYCHGEROQ-NSHDSACASA-N 436.350 0.869 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CCN2CCSCC2)cc1 756274856 VRFOSISCFVRGNF-OAHLLOKOSA-N 426.564 0.865 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2ccncc2)C1=O 757626749 DFYPLJIUPUEATN-UHFFFAOYSA-N 425.405 0.041 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2ncc(F)cn2)CC1 760911863 IHDQCHKNDJBBHW-UHFFFAOYSA-N 437.453 0.946 50 20 ICGD Cn1cc(Br)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 760994126 BFWNUEKCRZEBMZ-AWEZNQCLSA-N 438.234 0.932 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)n[nH]1 763152688 HZDSYMQOEKFYBC-UHFFFAOYSA-N 435.400 0.508 50 20 ICGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccccc1NS(=O)(=O)c1cccs1 763272168 GJGGEAKNVWJXEI-MRXNPFEDSA-N 449.558 0.700 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)cccc1C(N)=O 763873675 XHWIJEDTEJYVJK-LBPRGKRZSA-N 442.428 0.550 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cnn(-c2ccccc2F)c1 763920720 CBZKEXHQEGTQEC-UHFFFAOYSA-N 435.379 0.387 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc21 763981953 SSOUAYHOTLLZQF-UHFFFAOYSA-N 448.439 0.630 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 764831994 UGFIYICCFGBAML-AWEZNQCLSA-N 427.479 0.487 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 771947632 NLHLPYGAYOUFJZ-UHFFFAOYSA-N 442.519 0.753 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)c(Br)cc1F 784005042 XQNXOZJAWLWEOP-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)n1 784842795 ZIGMERUFCMFCMQ-UHFFFAOYSA-N 426.477 0.869 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 787438749 DXRPSFXMRJPTRG-XMHGGMMESA-N 433.468 0.905 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc(Cl)c2Cl)n(C)c1=O 788763816 ZFTZTHGLCBLQRK-UHFFFAOYSA-N 439.259 0.131 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790066231 ZJYGXXNAELJRMO-HXUWFJFHSA-N 448.476 0.227 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3OC)ccc2[nH]1 792356034 XVZLSZWSPLLRPN-UHFFFAOYSA-N 439.428 0.701 50 20 ICGD N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 795821719 BLUJVYKMMHFVQX-QFBILLFUSA-N 434.408 0.771 50 20 ICGD COC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 804125417 LZFQOVCAWLUZPO-SNVBAGLBSA-N 440.400 0.347 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)CC1 806938294 YUUOMXXJEMDXSM-UHFFFAOYSA-N 431.522 0.647 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 809980650 RZHVHFSPYFQFGD-CQSZACIVSA-N 449.537 0.237 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 810199699 APNNSQJINNZHTQ-UHFFFAOYSA-N 433.490 0.733 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810572171 MFIABBYZQUIMEZ-UHFFFAOYSA-N 441.469 0.091 50 20 ICGD O=C(COC(=O)C(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1cccc(Cl)c1 812691169 POEJDQAPGZNBGH-UHFFFAOYSA-N 444.875 0.993 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccnc(OCc2ccccc2)c1 815693340 UGJKHHKCVOOKFA-HNNXBMFYSA-N 435.444 0.601 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914881230 CJJZPIBWGSXJFZ-JSGCOSHPSA-N 443.522 0.491 50 20 ICGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 915056505 LRLWYSPQAABZGD-CYBMUJFWSA-N 431.474 0.467 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)c2ccccc2Cl)c2ccccc2c1=O 916263621 NVJGYOFQEJBOBO-UHFFFAOYSA-N 442.863 0.961 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1O 919756932 OEBZXPOWQUKTRP-NRFANRHFSA-N 426.429 0.937 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778683597 QDHJPZMTRJJOQW-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD Cc1nscc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029543 YYTAGCAQJKJVJV-IBGZPJMESA-N 430.490 0.207 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)nc2nccn12 1781309806 LJZLHHWQXQSHOO-RZQQEMMASA-N 435.912 0.765 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335487 ZSBGRHFRUWSHIR-SKDRFNHKSA-N 434.184 0.185 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1781673109 AQOMGDQHMYOXPE-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD O=C([C@@H](F)Cl)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782809978 IBAJHHQBWFEKAQ-UGNRZPKXSA-N 439.915 0.986 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783147772 KWORWJRANVQFNH-ORAYPTAESA-N 446.932 0.214 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 1783936549 OYXWUIHTEFFBFJ-IBGZPJMESA-N 441.891 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cccc(O)c3)CCO2)C1 1783937582 VGFZZERYUIGNIB-IMAOXBOFSA-N 430.505 0.608 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783963904 DFNNKJRLFAIDSC-AICCOOGYSA-N 432.359 0.912 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981766 KIFTZPZRPJCYRN-QBWPOKONSA-N 443.136 0.196 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789866864 QCWDVAHQKGVFIU-SMSYFYOWSA-N 433.933 0.827 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588826 PEFHQPPDCPYXHL-XQLPTFJDSA-N 426.901 0.948 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287319 LWXCLSDETQDEBM-NTIKPUAMSA-N 449.342 0.755 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCCSC1 1792198293 KDUAWMBFQJSVRO-CAMMJAKZSA-N 432.351 0.103 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2cnccc2n1 1796189045 QBSTWWFIJIHQCW-REPLKXPHSA-N 430.273 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2occc2c1 1797037111 LZOAUFKAHSPUBU-CWPLJXCYSA-N 449.467 0.948 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204193 WJKUZRYDROCTNX-LSSIXWDNSA-N 443.298 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1800978536 UPLLDQCPYRRASL-WQDJSCAQSA-N 449.935 0.876 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)c1ccco1)C2 1801012747 IPUVAPDMBLXFIW-FVCICTRLSA-N 428.436 0.334 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802247392 URFRKXOIEJREKT-WPVAHCMFSA-N 440.305 0.374 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802248412 SINTZCPRWBIBCH-FLXSYLCISA-N 434.537 0.753 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n(C)n1 1805638025 KDOFCLBFDRPPOF-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)co1 1805688097 UFPCSLVGGCPVDX-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CC1 1807365215 LRJOOHWYMGCSQV-AZUAARDMSA-N 437.305 0.508 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807370376 CBTKGTWLHYCJDX-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD COCC(=O)N1CC[C@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1808414881 NXVOSWUABVMWKI-FTVRPSQGSA-N 426.477 0.868 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808674917 AIIGDAJDXROSKW-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD CNc1nsnc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977990 QGPLSQYQXJYMPE-UHFFFAOYSA-N 443.338 0.418 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccno2)[C@@H]1c1cccnc1 1810299564 SKIVJYVCAIOWCD-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD C[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810298 NZAUAMZVAGPLNN-VGMNWLOBSA-N 432.344 0.431 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814887537 YHIHUEKCBSUXRK-RBUKOAKNSA-N 439.325 0.880 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(O)C2)CC1 1824116176 IRVNGNFUOZCAAF-LADRWXRNSA-N 429.521 0.689 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830370164 JTAXSKNOTFZSIP-IBGZPJMESA-N 432.949 0.081 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(C)n1 1830728228 QPUXUCYYZGLYEE-YLJYHZDGSA-N 425.913 0.622 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733055 ZWEHUACMBACYAH-HNAYVOBHSA-N 427.885 0.068 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1833263477 RIQPDQFHBCVPMU-GFCCVEGCSA-N 442.358 0.465 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834390891 IIQIKTSTLIAMHL-GUYCJALGSA-N 429.315 0.521 50 20 ICGD O=C1CCCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826815 XKODDHDQEMMKKI-GOSISDBHSA-N 446.342 0.240 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)CC1 1835080872 ZUZFILADTJMOET-LJQANCHMSA-N 445.967 0.257 50 20 ICGD O=C1NC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)O1 1836413506 HAOJDDQJDTXICI-STQMWFEESA-N 435.294 0.357 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837462624 PFWXOJWTHFZTQG-GOSISDBHSA-N 434.990 0.192 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792992 RMJNZHMIXJNJPA-QGZVFWFLSA-N 429.861 0.653 50 20 ICGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)co1 1838139274 QXCVUNJPOYLXLI-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839063815 XZCWWVPCRURXKU-MDZRGWNJSA-N 446.386 0.816 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662524 RTNLYJLREQGDOD-DNVCBOLYSA-N 426.901 0.107 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989240 WFIYERGPESQGPY-LIRRHRJNSA-N 449.932 0.221 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840153741 YUSXHGXRCIZWCN-KXBFYZLASA-N 437.884 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1840156584 WNARZRKXXIBVIX-GJYPPUQNSA-N 428.917 0.229 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840272818 VTZXKJKXIFOEAJ-JMLCCBQJSA-N 433.343 0.779 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)N1CSCSC1 1843014212 KTDVRLGDGHYCBQ-CQSZACIVSA-N 435.380 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1848043844 CARODCWXPSMRBF-NJAFHUGGSA-N 433.553 0.352 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9890017 QKSAZJSOOICQFK-UHFFFAOYSA-N 446.485 0.926 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17192487 HSRAONTWAKIRAD-UHFFFAOYSA-N 429.458 0.259 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 17195982 NTGZPOATQZTVOQ-UHFFFAOYSA-N 427.442 0.462 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1 17818063 CUVRKLMPVYRVPO-UHFFFAOYSA-N 442.501 0.918 50 20 ICGD Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nc1 725872064 JRZBXCWUDDMHQB-AWEZNQCLSA-N 428.449 0.804 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 726281613 APCSJZHRAYIEJF-NRFANRHFSA-N 441.444 0.659 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cnc21 727749079 JMLIDLFGRHUDJW-UHFFFAOYSA-N 447.517 0.950 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n2nc(C)cc2n1 728330450 LYEKUINQNRWFOF-MRXNPFEDSA-N 425.401 0.490 50 20 ICGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 728855736 BLKAOAYQWXRZTR-SREVYHEPSA-N 435.458 0.837 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1Br 729350818 INSYCBORBCDPEV-UHFFFAOYSA-N 447.311 0.083 50 20 ICGD Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729661947 BXGHQJGHXVBPIG-UHFFFAOYSA-N 447.516 0.628 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 730822696 YTXAOQBTEGYPQT-UHFFFAOYSA-N 429.481 0.104 50 20 ICGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 740738636 LWYSDEIEBWTOOW-PBYQXAPXSA-N 432.454 0.943 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 741660012 STEFRIGTUFYILT-UHFFFAOYSA-N 441.473 0.585 50 20 ICGD CCOc1cc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)cc(OCC)c1OCC 742033295 MQKRZOPUBXEMAO-UHFFFAOYSA-N 431.511 0.972 50 20 ICGD Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 743419859 ODBSVBZOYIFGGO-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)C2=O 743830339 BWZPQSZKMBZYDX-UHFFFAOYSA-N 430.442 0.847 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744515545 CYDYDJARJABLJQ-CYBMUJFWSA-N 434.408 0.856 50 20 ICGD O=C(Cc1ccc(-n2cnnn2)cc1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621678 YGUJICAMLXABJH-UHFFFAOYSA-N 443.489 0.369 50 20 ICGD CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(C)c3)cc2S1(=O)=O 744831312 QASBYXRXYUFJHI-UHFFFAOYSA-N 445.453 0.777 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 745861663 NXKRIOWBDYCBLG-HIFRSBDPSA-N 426.495 0.077 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 746253088 WZXTWSUOEXRHOJ-UHFFFAOYSA-N 435.458 0.795 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1 748620844 TZKMPXZPVKMWCN-SFHVURJKSA-N 445.549 0.525 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 753453982 ASIMIDJCBNVRIE-SNVBAGLBSA-N 428.906 0.596 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 756930179 RSEHDXFODDGMKY-LLVKDONJSA-N 427.439 0.987 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 758775286 WHXOKSMQYPTYTD-RYUDHWBXSA-N 436.494 0.567 50 20 ICGD COC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1 760787182 ZURIAXPQEDUKNR-UHFFFAOYSA-N 435.462 0.638 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)/C(=C/c2ccccc2)n2nnnc2C)n1 760803664 GUCAMXXFJYDPAX-NVNXTCNLSA-N 441.473 0.678 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(N3CCN(C(C)C)CC3)CC2)cc1OC 761120304 CHQXETIAXIPKSB-UHFFFAOYSA-N 447.580 0.955 50 20 ICGD COC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 763572501 RUNPHQFEUJLOAI-HNNXBMFYSA-N 432.364 0.930 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1cccc(C)c1 763630444 LJRHTIOFLUYGHQ-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD Cc1ccnc(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)n1 763916582 GVLMDQXTDQHDJT-UHFFFAOYSA-N 443.427 0.827 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccccc1-n1cncn1 763947487 BSAPRISYYZIOFO-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764403879 FTQMMYMEBPIUAL-UHFFFAOYSA-N 432.458 0.904 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCS(=O)(=O)CC(C)C)CC2)cc1 766640362 FWSKQIWCZDLOKD-UHFFFAOYSA-N 438.594 0.721 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNc2ccc(Br)c(F)c2)n1 770815127 BQNAOUKYJJGKNV-UHFFFAOYSA-N 448.274 0.911 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 771867232 JLQHOMOIQPYOFG-VIFPVBQESA-N 441.384 0.353 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 772003571 KIKZTKWLJCLFJB-STQMWFEESA-N 429.495 0.085 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 772330857 DTAKNKCDYNDXRM-UHFFFAOYSA-N 432.506 0.179 50 20 ICGD Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003221 BYXVEHJZIZIDQT-UHFFFAOYSA-N 445.457 0.529 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)n1 785226351 SZAOQZLSZSSRSE-UHFFFAOYSA-N 441.492 0.940 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNc2nccc(N(CC)CC)n2)cc1S(N)(=O)=O 785226492 HTSLBXHFVSAGCD-UHFFFAOYSA-N 435.510 0.614 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 786585597 SUNTUWSNKFVRDY-NSHDSACASA-N 432.311 0.452 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccc(OC)cc2)n1 786731189 FGSCBEJCPAZVLD-UHFFFAOYSA-N 439.494 0.867 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 794212849 VLCNKPBEVOUFPQ-UHFFFAOYSA-N 432.458 0.566 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Br)c1F)N[C@H]1CCS(=O)(=O)C1 799122602 TWGXEPIXPSORMA-ZETCQYMHSA-N 430.277 0.268 50 20 ICGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)Nc1ccc2c(c1)OCO2 802096857 HWTOBBSGFRFFNO-UHFFFAOYSA-N 431.430 0.697 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1Br 806980325 VDWNJJWOLLFDRN-UHFFFAOYSA-N 447.249 0.513 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnccn1)N(S(C)(=O)=O)CC2 807956397 QKWIYTMSESAXET-INIZCTEOSA-N 433.490 0.893 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ccccn3)cc2)n(C)c1=O 810331837 UDQHRIFNULLYGF-UHFFFAOYSA-N 448.443 0.349 50 20 ICGD O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NNC(=O)Cc1cc[nH]n1 810355651 CWNWUQYQRRAJCM-UHFFFAOYSA-N 439.803 0.750 50 20 ICGD COC(=O)C1(CS(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CCCC1 811691669 RVOHQSVRGXHAEX-UHFFFAOYSA-N 431.898 0.640 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)nnn1Cc1ccccc1F 815568325 CZYJMQCAIYZGOP-QGZVFWFLSA-N 438.419 0.864 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(CCN2CCCC2)cc1 815691656 XCRVSALFCTWILB-MRXNPFEDSA-N 425.493 0.265 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 815751607 GPTBMDMQRLXAKI-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)ccc1=O 917387581 BUFHOFJKOXWFES-UHFFFAOYSA-N 425.445 0.860 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1C 920431159 SULTXVIVLRAFQR-UHFFFAOYSA-N 429.477 0.986 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3[nH]ccc13)CCO2 1779030175 HQJDRWYCJJZIDZ-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cocn1)C2 1779371061 LTXVUKBGYIAZCN-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1nc2ccc(F)cn2n1 1781431551 NPCSWOSOJBTNNO-IQUTYRLHSA-N 439.875 0.596 50 20 ICGD Cc1cccc2c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c12 1782472838 UZZINNLRMRCWCP-HSZRJFAPSA-N 448.288 0.308 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933489 LDQGAMNLYSWOLX-HSZRJFAPSA-N 446.548 0.831 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1783964063 ITOXBMNHWOQWDO-RFGFWPKPSA-N 432.315 0.449 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1787508686 HPIXQQAGEZNEGI-SAVYNJCVSA-N 439.476 0.204 50 20 ICGD CCn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1C 1789003535 RHCVFGVUPLFTKW-BQFCYCMXSA-N 434.541 0.178 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1791057444 DDEDBXWLTKNRNB-FDICVXPISA-N 425.327 0.845 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1792779887 OVWIIGXQRZEZDU-JGAAPJFWSA-N 441.887 0.290 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(OC)n1 1794015002 SKAYJDQUIXNWMV-MVWRLGRASA-N 425.913 0.866 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794036325 ODXUEPFWDCMKHP-NFFDBFGFSA-N 441.326 0.508 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2)c1ccc(B(O)O)cc1 1795732506 NNTUFGIIAZGTHY-FVCICTRLSA-N 434.710 0.598 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cnn2c1 1796189103 WVHNOPKJKHRTKY-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796367246 CCEHNQRADZWOAY-CUZKYEQNSA-N 437.896 0.386 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(C(F)(F)F)cn1)c1cccc(B(O)O)c1 1796531076 BREIOIKFEKYCSC-QDMKHBRRSA-N 448.210 0.741 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1798521451 JABFVSRWFPLZMF-ZSBFGKGUSA-N 445.428 0.702 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2)NC(=O)NCc1ccccc1 1799097514 NSQKHUCKQLSUNM-VBRUWADQSA-N 447.511 0.280 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1799277974 ZSQUIEYRBOMHNZ-UCSBCBTLSA-N 430.292 0.015 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1799390802 ADGUAWKITGMOQQ-YGADERNFSA-N 446.508 0.511 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)CN)[C@@H]1c1cccnc1 1807011459 DUCQLTJRNFJRBF-KGFIZNRPSA-N 439.520 0.816 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364647 JOQWXMGQHWLWSB-GCJKJVERSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1813068168 JCVXJSRWNFOPNG-MGPUTAFESA-N 441.492 0.270 50 20 ICGD CC(C)(C)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817278084 FZTHJVFXDTYOEE-QGZVFWFLSA-N 427.314 0.784 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799347 AZEUURPDFYRAOF-CMPLNLGQSA-N 444.517 0.983 50 20 ICGD COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)nn1C 1820379308 DJZKVIPCQRHHKO-OAHLLOKOSA-N 446.512 0.831 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2C)n[nH]1 1820956452 FSBLQBJVHROBGS-GJZGRUSLSA-N 433.513 0.396 50 20 ICGD CC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825928359 KYRXCUKLTBBLFN-ABAIWWIYSA-N 429.307 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(N(C)C)o1)CC2 1826080792 ZHXVFXORFJPEHO-LLVKDONJSA-N 449.537 0.796 50 20 ICGD COCCOCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925740 QTSSMQVQJGVYSA-IBGZPJMESA-N 447.536 0.581 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1830535325 MNRJAHXSXDKCIP-RLFYNMQTSA-N 432.359 0.568 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1830537387 GKTXDBSNTFHFIO-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830903563 MLLCEBWMIMLAOV-YTVQGQIRSA-N 443.840 0.257 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833963358 CHXISQWOCYIDRF-INIZCTEOSA-N 440.928 0.525 50 20 ICGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834655644 QFDCIHXMMRQOFG-CYBMUJFWSA-N 438.367 0.875 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1834819222 KMJNISGBLOYVOE-MRXNPFEDSA-N 429.271 0.037 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836170759 COZYRAIPBXJLCX-YOEHRIQHSA-N 429.315 0.513 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836614014 ASAXDETTXQUOPM-NRFANRHFSA-N 448.300 0.109 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202397 DVLODYOZTISVLI-ZVXABGALSA-N 436.278 0.173 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840154571 ZQTGRUHHQRFHSM-AUUYWEPGSA-N 441.868 0.134 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1 728313192 FHOFVUNHZZTXBT-UHFFFAOYSA-N 435.502 0.702 50 20 ICGD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)C1CCN(c2ncccn2)CC1 728846116 VKNNXVDICXNZDH-UHFFFAOYSA-N 441.404 0.357 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 729511919 WKFNJEMYPVYVRT-KRWDZBQOSA-N 425.449 0.753 50 20 ICGD O=C(NNC(=O)C1=S=C(c2ccc(OC(F)F)cc2)C=C1)N[C@@H]1CCS(=O)(=O)C1 730213198 KFFQQUOYLWLQHQ-LLVKDONJSA-N 445.469 0.801 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 731852680 HUYIQBBKOLJZSM-LBPRGKRZSA-N 441.897 0.904 50 20 ICGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 732238296 SEOONPNMMPXPBI-UHFFFAOYSA-N 425.330 0.879 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 732262199 RQGWRNKKKAUXHG-GASCZTMLSA-N 429.477 0.718 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)C1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732325916 PQBQTSWYUJBXFB-UHFFFAOYSA-N 427.435 0.647 50 20 ICGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)CS2 744620768 NIJVOMSZRBUYBS-KBXCAEBGSA-N 440.547 0.605 50 20 ICGD CO[C@@]1(C)C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 745935514 NEQFMDJMXYEXRL-BEFAXECRSA-N 440.570 0.847 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCOCC3)CC2)cc1 745992514 CLQLTMNKVABGKS-UHFFFAOYSA-N 440.522 0.559 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1Cl 753768964 GLWJMURCQKQBCP-UHFFFAOYSA-N 436.837 0.946 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)NNC(=O)Cc3cccnc3)cc2)CC1 756391447 CFYVOYRYPVZMPY-UHFFFAOYSA-N 426.477 0.772 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cn1 756839635 SBROARZEKAEKSG-HNNXBMFYSA-N 432.481 0.883 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 763646189 CVVBXYHWNCRJJC-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 763647091 MYPQQWYXFFHNMV-UHFFFAOYSA-N 449.427 0.372 50 20 ICGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 763718980 SMYSDSQCACSHCO-UHFFFAOYSA-N 444.513 0.850 50 20 ICGD Cc1ccc(-n2nc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C)cc1 763921962 YYMVXQHPUBUZHG-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)ccn1 764293925 QNPOMFLNSYIDOP-UHFFFAOYSA-N 437.416 0.285 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)o1 764372330 TWWOYZNOGFVUAI-XQNSMLJCSA-N 447.473 0.801 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(COCCc2ccccc2)c1 764425677 QLGKBOJRZSHFJU-IBGZPJMESA-N 427.457 0.947 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 765318832 SESURFULJZZXMG-UHFFFAOYSA-N 444.510 0.934 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c(I)c1 765698692 PVLBQPRVJHAHJI-UHFFFAOYSA-N 443.201 0.433 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 767270147 PXUGYQYMGQSKHY-XIRDDKMYSA-N 429.473 0.792 50 20 ICGD CC(C)C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 770980597 RNDPYRGAIVRGBA-SCRDCRAPSA-N 427.465 0.878 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C1=O 772205576 BHKRZYYPFSSUPM-ASSNKEHSSA-N 448.476 0.587 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)nc1C 778422795 VUVMUVDPIMYUFQ-OAHLLOKOSA-N 429.412 0.664 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nc1 782148557 ZIKXNPILPOQMQU-JJIBRWJFSA-N 446.489 0.985 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 784005136 QHRPBZVHRZCKKU-UHFFFAOYSA-N 443.485 0.781 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1N1CCNC1=O 787541087 LWAKUOGNVCGSOB-UHFFFAOYSA-N 425.401 0.653 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 790951842 MHBUCNLMUMEYGS-UHFFFAOYSA-N 427.373 0.496 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnc(CC3CC3)nc2)nc1 793034719 QOXZVRNQKGYJGX-UHFFFAOYSA-N 433.494 0.593 50 20 ICGD COc1cc(C#N)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369445 XMUIYLYIDGGLGJ-UHFFFAOYSA-N 425.401 0.579 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1Br)N[C@@H]1CCS(=O)(=O)C1 797429017 ICSGIEDCFGWDKT-MRVPVSSYSA-N 446.732 0.782 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccc3)ccc2F)CC1 800793372 JZFIGIWKKDZEFC-UHFFFAOYSA-N 448.476 0.753 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cn(C2CCOCC2)nn1 809937923 MHBNQOFPHKQRTI-UHFFFAOYSA-N 427.509 0.603 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)c1 810442096 HKNPTDCYNPUSJX-UHFFFAOYSA-N 428.478 0.182 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCc4nnn(C)c4C3)CC2)cc1 810593911 MUIPOOKDLOFUQP-GOSISDBHSA-N 425.537 0.194 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCn2c(=O)nc(O)c3ccccc32)cc1 812730180 ANIRFQCRSOATGQ-UHFFFAOYSA-N 431.474 0.886 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)c2)CCN1 812979584 BUYZQVZXTFAEAV-UHFFFAOYSA-N 427.436 0.086 50 20 ICGD CC(=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814767181 WPBYKPBZGVOHRT-RBSFLKMASA-N 438.550 0.531 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(Br)ccc1F 815692649 XLGNEZTZIGGJON-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD CN1CC[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 849573308 RRCVZUVBNVUYQR-IRXDYDNUSA-N 432.912 0.573 50 20 ICGD Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 916318244 MXNDWCAZQYQRBB-OAHLLOKOSA-N 432.506 0.537 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1C 916636431 CAXWRQXCROCKNN-FQEVSTJZSA-N 435.550 0.780 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc(S(=O)(=O)N(C)C)c1C 916829411 XIOBKEPUMQXOJA-GASCZTMLSA-N 440.566 0.814 50 20 ICGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918084615 GURGPJZOMNACAI-AWEZNQCLSA-N 439.538 0.720 50 20 ICGD O=C(COC(=O)CCCNC(=O)c1ccsc1)NNC(=O)[C@H]1COc2ccccc2O1 920084710 GSHWCMKUKLCFSZ-MRXNPFEDSA-N 447.469 0.789 50 20 ICGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 920311852 IQPAMCFAFNNWJS-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C)C1)C2 1778094580 JSBRMKBKPAPACN-UYVYXKLWSA-N 444.536 0.196 50 20 ICGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)n1 1778241136 OKIXTSUCPHQRJJ-FRQCXROJSA-N 428.917 0.257 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1779032836 XQZQUWTUKLZLIN-NRFANRHFSA-N 445.426 0.721 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779206390 KFQZOYAJIVPGTO-SJKOYZFVSA-N 425.283 0.633 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1781903346 RWRSSQNOQMQXHJ-CKEIUWERSA-N 428.331 0.966 50 20 ICGD CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782864551 NZYUEYDWFAFUTP-ZVYZCIRASA-N 432.427 0.790 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783349448 LXOCXBOTIVTSJW-DYVFJYSZSA-N 441.282 0.792 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccs1 1784379104 NUEPDIHMBYDGJS-QVKFZJNVSA-N 428.319 0.675 50 20 ICGD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784567054 XBBUYZAWPPCDSL-JYJNAYRXSA-N 428.599 0.728 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1786406160 VTZHJOORNXSQEP-DLOVCJGASA-N 429.271 0.266 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986516 KOTXBCBGLGCWNC-JBACZVJFSA-N 439.321 0.242 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1789873005 NXUFARKPNNIETG-PAKFGRKTSA-N 432.304 0.127 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CC2(CCC2)C1 1791834150 XXSCAWYOQZFJEQ-VDGAXYAQSA-N 426.322 0.540 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1792846732 OTNVSAKJBZYFFL-JONQDZQNSA-N 439.557 0.911 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793367626 OAUNDFHOYOEYOQ-FMSGJZPZSA-N 425.345 0.042 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2c(s1)CCC2 1794959860 USUWZWCDMQUDLF-CWPLJXCYSA-N 440.330 0.434 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2)c1ccc(B(O)O)cc1 1795737005 SAYFJHMOZAEZOQ-POXQLVPFSA-N 434.248 0.315 50 20 ICGD O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)ccc2N1 1796188975 IKCNFLZCKMQAFR-REPLKXPHSA-N 433.273 0.427 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccsc1)C2 1797750414 AJHMGUMNLUTUFV-ZSBFGKGUSA-N 429.502 0.193 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncoc1C 1798268119 BUIYBMFJGMXQAG-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@](C)(Cl)CCl)C4)CC2)CC1 1799191723 MBXQHTPRBHBLOU-RCJHGTSTSA-N 447.407 0.592 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(F)cn12)c1ccc(B(O)O)cc1 1801108365 RLIRYWVVQCMLIS-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)COC1 1807374450 ZQHLNLMXTDEEQK-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809715159 KPJZSTQIIBMNBZ-MAUKXSAKSA-N 430.553 0.903 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1811474143 INATZSWIIQRRJK-UZLBHIALSA-N 427.509 0.806 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070283 ICBZCCFXOGCKFF-XLIONFOSSA-N 446.552 0.233 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813297632 KDJVLEBWXDAHOU-RPTXYRIKSA-N 445.288 0.518 50 20 ICGD CN1CCN(C2(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)CC2)CC1 1814873818 ZVOWDDFOKPHEOQ-CVEARBPZSA-N 438.960 0.782 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815263154 IGMJHLNNXHPSQR-HNNXBMFYSA-N 430.339 0.437 50 20 ICGD Cn1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815339615 KCMYXIMTDLJVBI-AWEZNQCLSA-N 425.279 0.096 50 20 ICGD Cn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cc1O 1816122347 HWTVJZPFRHAGHX-MRXNPFEDSA-N 438.253 0.148 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475678 XIVJVNBUJMWYHJ-ACJLOTCBSA-N 441.297 0.262 50 20 ICGD CN1CCN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1818914977 ABYOZXWDROGDSF-QGZVFWFLSA-N 448.572 0.022 50 20 ICGD O=C(c1ccnnc1O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052725 YNSKDCNRWYNYSI-IBGZPJMESA-N 438.293 0.409 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829956065 GHCLKAWPMFPSMO-DOPJRALCSA-N 436.336 0.205 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830535302 MCUVPPUGGBPSTB-KSSFIOAISA-N 448.358 0.342 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1830546624 TWYBRJGHTYSHOU-KDOFPFPSSA-N 443.342 0.450 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833265449 WRDSRDFZUVFDTL-DOMZBBRYSA-N 445.358 0.697 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390102 MIHWARHGTQKNQZ-AUUYWEPGSA-N 426.901 0.474 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819453 SCFZEPMTQZUKNI-KRWDZBQOSA-N 429.315 0.758 50 20 ICGD O=C(Cc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836158500 MARCLAXUUMYWOA-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD O=C([C@@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839202451 GCQKWFUCAKIRMQ-MPZWGZMNSA-N 435.290 0.701 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840031233 JGISUMPAWJHTCK-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840033995 WVZQRNRXVJBOES-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1840156342 QWDZWGKKSAMHDS-JTDSTZFVSA-N 428.917 0.463 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840345083 VQXFBVZCBBHMIE-OJHZYUNUSA-N 427.299 0.663 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999363 XOAITCLLOWULRM-LPYMAVHISA-N 442.436 0.129 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)cc1 1845822151 OVRQBJKDKXYBAT-KRWDZBQOSA-N 437.924 0.895 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1846365049 XVUUTAHPZRQHET-KFWWJZLASA-N 445.944 0.814 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1846385031 MIWNJKRMVLSSTL-HXUWFJFHSA-N 429.477 0.298 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)CC2(O)CCC2)C1)NC(=O)NCc1ccccc1 1846733087 IGJHXBUSCVSICU-UHFFFAOYSA-N 443.548 0.841 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(N2CCN(C)CC2)CC1 1847500300 DOAAJWRBVZKYLI-JYJNAYRXSA-N 427.387 0.999 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 14907273 GEPQEJQTOOUREY-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)c1cc(Br)c[nH]1 24122243 ICVLSJATOKRQLT-SFHVURJKSA-N 446.261 0.932 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 728203963 QNNAQSUOGAABQZ-INIZCTEOSA-N 449.533 0.962 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCS(=O)(=O)C1 746590604 BIEFMIODULXVAU-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cnc2c1c(=O)n(C)c(=O)n2C 747752330 ZTWADDDZOXWAEB-UHFFFAOYSA-N 434.412 0.670 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748623311 MCKRYKDXFWJNGR-INIZCTEOSA-N 426.543 0.293 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3cc4ccccc4o3)CC2=O)c1 749479066 YQRPUGQPNGUMBI-ZDUSSCGKSA-N 442.453 0.894 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(C)o1 751297416 IZGICBZVAWESIZ-UHFFFAOYSA-N 427.435 0.597 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 753194892 ISVWJZWOYAQVPE-UHFFFAOYSA-N 429.476 0.317 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 754513312 QVPTXJHDCDEIBC-MJGOQNOKSA-N 435.477 0.310 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1ccc(C(F)(F)F)nn1 755187412 OJEMAQJEZIPTSR-UHFFFAOYSA-N 432.340 0.194 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CC(=O)N2CCSCC2)cc1 756282276 WUVDNLOEFUQZAM-CQSZACIVSA-N 440.547 0.392 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)COc3ccccc32)n1 763335196 KPDQUYMRSZJIRH-UHFFFAOYSA-N 432.458 0.500 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cc21 763685042 RSUAZQLSKFSNFA-UHFFFAOYSA-N 432.820 0.860 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763866602 QATMUPGKZFOBIF-GFCCVEGCSA-N 442.407 0.264 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cccc1S(=O)(=O)NC1CC1 763918231 CUXYHHZEQUBALZ-UHFFFAOYSA-N 448.476 0.903 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 763919691 XGVCPOZIFBVRDS-UHFFFAOYSA-N 426.404 0.803 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccnn1-c1cccc(Cl)c1 763997300 JEEPFPDKSBKYSC-JTQLQIEISA-N 425.854 0.046 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 764032992 CKNMDNUECUYADX-UHFFFAOYSA-N 446.485 0.700 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1F 764354865 YZLHALSELIDLQY-UHFFFAOYSA-N 426.412 0.784 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n1 765119918 UUJFHEQANDQKNW-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766531541 SSBWHAHITQSCFP-JTQLQIEISA-N 437.815 0.938 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n[nH]1 768274173 PMBSIAUJCSGUOL-GOSISDBHSA-N 447.455 0.967 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 773861020 AIPOBVNICLWLCK-GMTAPVOTSA-N 430.918 0.265 50 20 ICGD CN(NC(=O)c1cccc(OCC(N)=O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202800 XGFQVUIHTVCKQY-UHFFFAOYSA-N 435.481 0.800 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)nc1C 778427536 BHNXHHQRRCRNMG-UHFFFAOYSA-N 433.446 0.883 50 20 ICGD CN1CCN(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)CC1=O 780531403 ACNQFXXYMUFGBA-OAQYLSRUSA-N 435.528 0.535 50 20 ICGD COc1ccc(NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)nc1 780990721 SMHUHJGFJRKNAA-UHFFFAOYSA-N 434.522 0.853 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)c2)CC1 782117456 OMRORPSCRXTBMG-UHFFFAOYSA-N 441.488 0.662 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 787543771 HFMGDHOBGIOBDK-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C[C@H](C)O1 788165433 BVEYEWWJCMYLCU-GJZGRUSLSA-N 439.538 0.086 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1C 798310043 NBOXAYSGYUNIFZ-UHFFFAOYSA-N 436.476 0.744 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)=NN(c2ccccc2)C1=O 802066642 ULSUYSIZZHDPDU-LBPRGKRZSA-N 444.473 0.581 50 20 ICGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 808070294 SAHWVHMVKNNSNW-UHFFFAOYSA-N 429.462 0.378 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cc1S(N)(=O)=O 812429770 WULHXEVLZKZFNI-UHFFFAOYSA-N 436.494 0.945 50 20 ICGD CC[C@H](C)CONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 813823860 ITJLHLOOWULQCA-HNNXBMFYSA-N 442.538 0.948 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1c[nH]nc1C)N1CCOCC1)c1c[nH]nc1C 814854963 BQTUZSAUYYRFDG-SFHVURJKSA-N 443.512 0.221 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(-c2nncn2C)c1 815752585 YFTOGMMCNCPTMU-UHFFFAOYSA-N 443.489 0.814 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 815778394 PBMJEZWONGGSFL-CYBMUJFWSA-N 436.266 0.959 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 817051800 QGQITDXVUHWPBE-UHFFFAOYSA-N 443.485 0.652 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nnc(C)c(O)n2)cc1OCC 817284535 WRJZMZSLADKALF-UHFFFAOYSA-N 426.455 0.105 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 837644136 KJUSRSWRGRNXIM-UHFFFAOYSA-N 426.543 0.134 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 913455073 HXEZLTDNZYXTQW-UHFFFAOYSA-N 425.438 0.729 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)s1 914961773 VZOOEFUHYOFDFG-UHFFFAOYSA-N 431.879 0.596 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 914970042 VUTJKAXUCFXLLY-JTQLQIEISA-N 432.311 0.310 50 20 ICGD CNC(=O)c1cccc(CNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 916603466 QTOYFCMJIZQSKJ-UHFFFAOYSA-N 432.506 0.792 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3nc(O)oc3c2)c1 916646331 IEIMLQDWJJVTTM-UHFFFAOYSA-N 440.459 0.407 50 20 ICGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 919686686 DNYVHOPWNVWABJ-UHFFFAOYSA-N 445.906 0.946 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)Cn1nc2n(c1=O)CCCCC2 1317795925 SMTRKXYMPBBWDQ-UHFFFAOYSA-N 438.282 0.760 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCCn3cccc3)C2)C1 1779196900 QXGYJXRVUMIAQC-JOCHJYFZSA-N 433.553 0.861 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779480093 ACRYUOQXXGWEOV-FQEVSTJZSA-N 444.879 0.491 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781008199 NHBDCJKMUOYKKQ-XMMPIXPASA-N 447.300 0.534 50 20 ICGD COc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086271 XLHUXGSGCRYYCS-KMCQBPLKSA-N 425.913 0.602 50 20 ICGD O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788134880 UHKZBHBGKMSDMN-IHRRRGAJSA-N 432.315 0.593 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3)[C@H]2C1 1788841383 ZQIPGMNHTQPPJY-JQFCIGGWSA-N 442.451 0.126 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21 1791289250 QHFZJJOIICNYGX-NTLWEQJWSA-N 432.521 0.073 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)oc2ccccc12 1796902161 DBWWBWKABZDRBK-UPHUGPLXSA-N 448.284 0.938 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1cccnc1 1799344257 FEKWEIPDLZJZBK-NEBZKDRISA-N 443.273 0.092 50 20 ICGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)nn1 1800760143 CVZNGDILJPOLRT-MCYUEQNJSA-N 427.299 0.862 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCBr)C3)c(=O)nc1O 1804092409 PDSDYRCCVIPAMA-CLLJXQQHSA-N 427.299 0.681 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)Br)C3)c(=O)nc1O 1804097856 XDEVDPZHKVLAKM-RVMXOQNASA-N 427.299 0.679 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1804498384 YOQYRUAAQRKBNE-KKSFZXQISA-N 443.508 0.395 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670934 LOUBTASDSBQHMP-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359232 GHPQBFNXUWVBLR-SKRQURTPSA-N 439.321 0.488 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807364840 UGGOLZPGQQHKKR-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD CN(C)CCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299010 NBEKVGIZQLVWND-OXQOHEQNSA-N 439.520 0.351 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1812416966 MTEVVTDGUSAVRA-QRWLVFNGSA-N 448.487 0.366 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813029961 BMCBGLHAASLFBZ-IJEWVQPXSA-N 448.844 0.066 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)CN)sc2C1 1814743694 CLKAHENAKGAJEM-NMOQZMMYSA-N 431.522 0.784 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343802 PXKHABMKCFMQBC-SWLSCSKDSA-N 444.322 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817152653 VGFPXTKICYBXCL-INIZCTEOSA-N 435.529 0.107 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1822547533 AWEHHXFBFIZSKF-GDBMZVCRSA-N 442.350 0.391 50 20 ICGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1823836820 YSSGXAYXDHMOEO-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD O=C([C@@H](F)Cl)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975040 NQERWFXWHDSNOT-NVXWUHKLSA-N 437.965 0.871 50 20 ICGD O=C(c1ccc(CO)o1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051869 HXMRQFTXVCXSHP-HXUWFJFHSA-N 440.305 0.999 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)NC=O)CC1 1827679334 YBGMIBUFPHELSB-DGMXVEBPSA-N 444.536 0.875 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1830533246 IQPAGVFPVLONMW-BEFAXECRSA-N 446.386 0.816 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722339 AJPYZVJMVKAYSC-QFBILLFUSA-N 429.876 0.294 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831897000 XNNFLHDMCWTOSH-STQMWFEESA-N 427.851 0.884 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800563 USRLFGVRCOUTQS-WMLDXEAASA-N 429.861 0.265 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832877921 NUGQOCPFIABNEO-MGPUTAFESA-N 440.928 0.608 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833196225 OFMGPUMUSQWTCG-QAPCUYQASA-N 443.342 0.761 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3noc(C)n3)CC2)CC1 1833812392 VLOMSEZYTSYZDB-MRXNPFEDSA-N 427.933 0.746 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798379 NQQQIROHQMLMJG-WAIKUNEKSA-N 427.354 0.598 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835703650 ZHSACZYUNUWKEO-ICSRJNTNSA-N 436.585 0.389 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)Br)CC2)CC1)C(=O)O 1837886610 OPLKDEXUTYSMFZ-IUODEOHRSA-N 448.358 0.831 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)C1 1839066769 SNAVMOJMEWNSMY-FXAWDEMLSA-N 427.618 0.636 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnn1 1839707507 WGRCHYMHLAPLLD-XJKSGUPXSA-N 430.303 0.081 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1840153976 GYGCGEJYLHNAPV-YLJYHZDGSA-N 427.929 0.966 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840155032 NNIRRFSEUOPSEG-MAZHCROVSA-N 431.744 0.933 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1csnn1)C2)NC(=O)NCc1ccccc1 1845038183 BBONHCSLAXRZBM-UHFFFAOYSA-N 443.533 0.701 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 16205191 YFEPMQLJPSIZFS-UHFFFAOYSA-N 436.490 0.194 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882840 CXHRZHODCZPPHD-MWJIIQFGSA-N 440.508 0.577 50 20 ICGD COCCCNC(=S)N(C)NC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 726076046 SNBWFUNZOCWIFZ-MCIONIFRSA-N 430.596 0.767 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 726251438 YFRYVJJPZVTUPI-UHFFFAOYSA-N 445.549 0.416 50 20 ICGD CN1CCN([C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2)CC1 727764693 HNCIHGICPOGWKZ-GOSISDBHSA-N 444.561 0.729 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NNC(=O)Cc2cccnc2)c(C)c1NS(C)(=O)=O 728856208 JNUDKGPISQPBFR-UHFFFAOYSA-N 426.520 0.931 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CSc2nnnn2CC(F)(F)F)cc1 730052366 YSRDAVAZCQAECO-UHFFFAOYSA-N 432.384 0.640 50 20 ICGD COC(=O)CCS(=O)(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 731051560 YEMCATIGZHFKFN-UHFFFAOYSA-N 447.516 0.676 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 731499748 DVRNVVBOVUHAES-UHFFFAOYSA-N 443.485 0.816 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c2ccccc2n1 732474646 RUYFOIQLGDIPOR-HNNXBMFYSA-N 449.533 0.976 50 20 ICGD Cc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1[N+](=O)[O-] 735117322 QTOHOKSNQBSVEC-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 737756847 VMYWZUDPDMLEAL-UHFFFAOYSA-N 439.515 0.654 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCc2nc(C3CC3)no2)CC1 740085651 GSEINKUDAWRKDL-UHFFFAOYSA-N 449.537 0.744 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c(F)cc1F 743268762 JSLZXTFVEYVLIA-UHFFFAOYSA-N 431.329 0.989 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)C(F)(F)Oc1ccccc1 743511651 NTKRTKUSECHWEG-UHFFFAOYSA-N 432.347 0.309 50 20 ICGD Cc1cc(F)c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)O 753776468 UEEBZZRNKZLSTO-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD COc1ccc(-n2cc(CNC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)nn2)cc1 755212932 QLZQQHQRNVUIKQ-UHFFFAOYSA-N 444.473 0.824 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)NNC(=O)Cc3ccncc3)cc2)CC1 756393817 RNOGWSCTWVABEN-UHFFFAOYSA-N 426.477 0.772 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756400197 CJLGGCPCCWSNLM-NSHDSACASA-N 430.508 0.057 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2scnc2C)c(OC)c1 761272880 PBKOEXXBMSWARZ-UHFFFAOYSA-N 434.521 0.845 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1ccncc1 763463114 AAMITPZZBSRKFQ-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCN1 763615186 YMXLEIBTLJLULT-UHFFFAOYSA-N 447.455 0.413 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 763628802 BCBOSUIGEOYNNF-UHFFFAOYSA-N 442.476 0.415 50 20 ICGD O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763684939 RDJDSUJNSVUHEG-UHFFFAOYSA-N 433.787 0.620 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763716740 LCCFGEZDGMEQDR-UHFFFAOYSA-N 439.472 0.350 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C[C@H](OC)C3)c2ccccc2c1=O 763785653 KRPBIXMRMKIENR-MRXNPFEDSA-N 449.467 0.930 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763851855 VWEAADZDYMEVKV-ZDUSSCGKSA-N 446.435 0.846 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764241753 HIJYEGAJDWHRFC-UHFFFAOYSA-N 437.456 0.894 50 20 ICGD COCc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765117189 BZZVYJJSJGSASS-UHFFFAOYSA-N 446.529 0.601 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1OC 765245443 VQBMANGIBHJQGX-UHFFFAOYSA-N 427.439 0.878 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)n(C)c3C)CC2)cc1 766636178 MDACFFILWPSCLE-UHFFFAOYSA-N 447.561 0.718 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Cc2cccc(Cl)c2)n(C)c1=O 766640657 VIADKXWEBNGHDN-UHFFFAOYSA-N 446.895 0.503 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1 766641149 JOMQUDHFCNCKRG-UHFFFAOYSA-N 441.507 0.716 50 20 ICGD CCN(CCCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)S(C)(=O)=O 770347101 FSVYCUDSFGLBAD-UHFFFAOYSA-N 428.519 0.585 50 20 ICGD N#CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 771908184 JHYKVIWSPKHUPF-UHFFFAOYSA-N 441.513 0.868 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782896451 OHPLXVMSRJUEFE-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 785385174 IOAIOCFTCCFWQW-INIZCTEOSA-N 449.441 0.202 50 20 ICGD CCNC(=O)N(C)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 785834158 BQLRSGGSXYVKLQ-UHFFFAOYSA-N 429.499 0.804 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)n1 786712073 CZURPJLEEXQDNZ-UHFFFAOYSA-N 447.477 0.742 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 793065594 AXRFXAULIOCRPS-UHFFFAOYSA-N 426.433 0.441 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307811 HDXFCDYRVPJQAD-CQSZACIVSA-N 436.465 0.846 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 806669470 RIPDTKZQHQYBGB-SFHVURJKSA-N 447.469 0.778 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)CN(C)C 810334564 XZFIORPBZJCHKN-KRWDZBQOSA-N 438.575 0.949 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)NNC(=O)COc3ccccc3O)c2)nn1 812980401 SSRRJZGMVLRQLY-UHFFFAOYSA-N 426.389 0.991 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 815691049 DHBNEIAXCGGCJB-INIZCTEOSA-N 449.471 0.643 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(Cl)n3)cn2)C[C@@H](C)O1 815726171 RLNRHTCXWMOVDF-TXEJJXNPSA-N 435.872 0.649 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2cc(C(=O)OC)ccc2Br)CC1 818756575 BLANCFUKOSSOID-UHFFFAOYSA-N 449.327 0.855 50 20 ICGD Cc1oc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(N)(=O)=O 819659658 YTVUMLKAJOMWGL-LLVKDONJSA-N 430.483 0.644 50 20 ICGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)ccc1I 864231799 SOHINFHHMZGJOY-MRVPVSSYSA-N 439.036 0.315 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1csnn1)N(S(C)(=O)=O)CC2 915951714 NHOQXDSLYBSRPP-CQSZACIVSA-N 439.519 0.955 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 916227845 NMINIAKKTSDPDV-QGZVFWFLSA-N 432.568 0.395 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H](C)OC)N(S(C)(=O)=O)CC2 917767992 SZUZACNUXWTLTH-FZMZJTMJSA-N 429.495 0.135 50 20 ICGD O=C(NCc1nc(C2CC2)no1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918233999 YNPZWZMGHVYGFN-UHFFFAOYSA-N 434.478 0.876 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1OCCO 918687116 UGGKHEIOMCVPAV-UHFFFAOYSA-N 436.490 0.743 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884033 DICXYMIRDZPGAF-UKRRQHHQSA-N 438.506 0.207 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1318656346 IBGKBBGZWYRYLN-UHFFFAOYSA-N 439.513 0.892 50 20 ICGD O=P(CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)(c1ccccc1)c1ccccc1 1319744955 JURXNYOJUGMODB-YADHBBJMSA-N 448.525 0.776 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)cc1 1781332940 ADMQXCHSRCLIET-DYVFJYSZSA-N 428.258 0.920 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1781474384 RXBSJIYNGZJAAQ-PBFPGSCMSA-N 449.415 0.768 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781569995 WVRJOAOPIWTGLG-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781780332 UEHOIDSTIJMOBI-HNSFDTNUSA-N 430.343 0.810 50 20 ICGD Cc1ccccc1CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783302662 NBUOYQLJXVNBDE-XMMPIXPASA-N 436.317 0.751 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086722 ZKNUZGHNRNPIJH-GVRJEKJASA-N 445.944 0.575 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccccc3)[C@H]2C1 1786417129 DHSHVVAIRZBXJX-UFYCRDLUSA-N 430.549 0.972 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563692 BEJTUZXFTPJTHU-UFYCRDLUSA-N 426.517 0.391 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982830 AQMGCANPHLQWMS-QEPJXDKJSA-N 449.316 0.458 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1789868843 NFKHDYMXQKQWLZ-WFTHSTBKSA-N 446.331 0.518 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791055124 KCJWQYORVFINFJ-NDKCEZKHSA-N 439.372 0.430 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 1791290954 GPWVNNMZTSSAHJ-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791683093 QGQPXASMHVKXAZ-NEPXVJNWSA-N 434.537 0.811 50 20 ICGD CCOC(=O)/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795468052 HYLLASJLFCGFMF-OXFAYYTFSA-N 429.477 0.878 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796882313 RZUNATYQDKGJMD-REPLKXPHSA-N 436.273 0.917 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CCC(CC1)CC3)C2 1797754319 REAKKMSMSHADHY-VCRDFAGPSA-N 441.532 0.859 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-n2cncn2)c1 1799776010 XVKKNPWLQWDEDW-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808279182 AJVBXKFXUHABGO-VHDGCEQUSA-N 435.868 0.856 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1CCC=CO1 1810258057 JUKRWROFLYYPFS-SESVDKBCSA-N 435.289 0.774 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810297300 BKUHZZSGUVPJCP-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813033897 WNAXMHVKVWNSAM-JTDSTZFVSA-N 439.944 0.714 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1 1813070279 GDLFMDNXMATMMT-IIBYNOLFSA-N 441.488 0.727 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814707014 IOBQZJPHFRSXPH-NWDGAFQWSA-N 445.904 0.845 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474822 HDSSOQBKDPULIU-YLZCUGDYSA-N 439.281 0.435 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2 1819796754 DKOWCRPUTXNBEP-KRTXAFLBSA-N 426.861 0.902 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1829808656 YEOBXZMMCPBLLW-URLQWDBASA-N 428.892 0.982 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727916 KMQOWGVPCOARGH-RXVVDRJESA-N 449.891 0.610 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736670 VWHDQYANCSXECY-SYNHAJSKSA-N 425.913 0.316 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425070 BNLFZZMRVXWHFR-OXJNMPFZSA-N 445.944 0.099 50 20 ICGD NC[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1ccccc1 1833310578 NNJSKVYBVZUBEA-VQTJNVASSA-N 436.984 0.900 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656463 LLOLESCJEGJAFD-XHDPSFHLSA-N 437.360 0.243 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075449 TXXRGODTOGEHAQ-GUYCJALGSA-N 445.314 0.550 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)cn1 1837711499 JUPMBZNEPIHJAW-HXUWFJFHSA-N 438.601 0.661 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1)n1cnnn1 1838648349 RLZRGPQSQWILJQ-FZMZJTMJSA-N 447.309 0.923 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149869 URNPPVVOPAANBL-QGTPRVQTSA-N 438.352 0.594 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839150959 CVUXFQXLWPYKSF-SJORKVTESA-N 433.292 0.489 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198732 NGPJVQKSEJHJIC-NVXWUHKLSA-N 448.289 0.981 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1839652374 CABQBRNEZCDFHJ-GOSISDBHSA-N 434.990 0.192 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839962028 QQUYLDFRTGBSDE-YJBOKZPZSA-N 441.326 0.649 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840036729 QLPCAHZNTGIPTA-GUYCJALGSA-N 430.299 0.765 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840153486 PRLMZNHDOLEGPD-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155811 IOKXGKJHPMKFOI-WOSRLPQWSA-N 441.750 0.870 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840498103 QFZNTCRXCIVGSN-WBVHZDCISA-N 446.273 0.477 50 20 ICGD O=C(C[C@@H]1OCCc2ccccc21)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013141 NMWYSMDYALTJMP-NRFANRHFSA-N 434.301 0.888 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038228 GWHQYJCNGHFHCZ-YLJYHZDGSA-N 445.564 0.943 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@@H]1O 1847598568 IMZPRFOGKUCSMZ-VMXMFDLUSA-N 449.511 0.797 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)cc1 15545213 NACZDGZIXWMJJW-UHFFFAOYSA-N 427.486 0.326 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2C(=O)CCOc3ccccc32)c2ccccc2c1=O 45574117 IHXAIHYTFCENTH-UHFFFAOYSA-N 435.440 0.993 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1 725740461 WAKGPJAHRFYDML-UHFFFAOYSA-N 436.490 0.451 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(O)c1 726381664 FRDFCASWJVHOJX-UHFFFAOYSA-N 433.490 0.575 50 20 ICGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)CCN1CCN(c3ccccc3)CC1)CC2 727228577 HDTUCULDSUHVGI-KRWDZBQOSA-N 426.525 0.444 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 729276240 ZXIMFSOFUVIAFQ-LBPRGKRZSA-N 440.503 0.186 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915159 XCAIJICRQVOHJN-KRWDZBQOSA-N 440.508 0.250 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 733921162 POIPLPVOMNXAJV-UHFFFAOYSA-N 443.913 0.577 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1C 736822115 YGFFOEYLPZLJTR-UHFFFAOYSA-N 436.490 0.692 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)COCc1ccccc1 737926437 HJEBLZHEYSESCT-UHFFFAOYSA-N 430.486 0.870 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 745848172 REVYAZLJTCIKST-KRWDZBQOSA-N 437.456 0.947 50 20 ICGD CN1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 748663679 DCKIHYDNNHMPGT-INIZCTEOSA-N 437.522 0.426 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 751207540 YXTUOYQWPAYLRU-JLTOFOAXSA-N 446.460 0.887 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1 755268165 DFTWEDWOFUULQS-CKDIWJPDSA-N 437.547 0.812 50 20 ICGD Cn1cccc1C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756031152 JPGWQTHWKPMDKI-UHFFFAOYSA-N 425.442 0.652 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2cc([N+](=O)[O-])ccc2I)nn1 757402800 PKRRYSGBSOENCZ-UHFFFAOYSA-N 428.146 0.845 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 759687868 CBLLFGWKTAZYQL-UHFFFAOYSA-N 435.458 0.474 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)nc1 759739033 VIXGLFZMTAQVHQ-FQEVSTJZSA-N 427.417 0.787 50 20 ICGD COc1ccc(C(=O)NNc2nc(O)c3cnn(C)c3n2)nc1I 761157444 BIDXPEOMMXHLNT-UHFFFAOYSA-N 441.189 0.834 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CN3CCN(C)C(=O)C3)cc2)n1 763282536 FPBDBJQAHUQNGV-UHFFFAOYSA-N 442.545 0.921 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC)c2)c1 763508386 HWZHCFRGTFFLLC-UHFFFAOYSA-N 436.494 0.333 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763570657 HLZBDWAIAHXSMX-KRWDZBQOSA-N 442.428 0.127 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572655 NITDLNBMTWQFNW-KRWDZBQOSA-N 433.392 0.777 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1 763812078 ONGUAWBVCOJHAN-UHFFFAOYSA-N 439.428 0.558 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2)C1 764296613 BSCINABRQHHBOZ-ZDUSSCGKSA-N 448.505 0.159 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccs3)CCCCC2)n(C)c1=O 766637006 QUNHMTRSMCMIJO-UHFFFAOYSA-N 444.517 0.545 50 20 ICGD Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766643833 KRYLWQRVEUCYBT-NSHDSACASA-N 448.867 0.010 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)COc2cc(Br)ccc21 772015468 GSABMJDTFMJPBU-VIFPVBQESA-N 428.239 0.664 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 772991892 XMTNXTDQBVMVMW-GJZGRUSLSA-N 438.912 0.435 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 773081899 NUIHLRJILCCSTM-FQEVSTJZSA-N 442.407 0.407 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775705008 XIWSLORUXUONDE-CYBMUJFWSA-N 447.473 0.998 50 20 ICGD O=C1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)c(F)cc2N1 778710231 PZRMZTJLLUVNLW-UHFFFAOYSA-N 428.376 0.881 50 20 ICGD COc1ccc(-n2cc(O)c(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)n2)cc1 779491813 ZGWRTKGRDGXGDX-UHFFFAOYSA-N 434.412 0.908 50 20 ICGD CNC(=O)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 780160423 ODEMDYBZRNQULI-UHFFFAOYSA-N 432.502 0.842 50 20 ICGD COc1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1-n1cnnn1 781964342 YJROWHODNDTAKH-UHFFFAOYSA-N 429.462 0.869 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782893347 IGVQALIUEQUKGY-UHFFFAOYSA-N 426.433 0.322 50 20 ICGD Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n1C 787338765 JDBQITPLWBQBKN-UHFFFAOYSA-N 447.517 0.622 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCC1 787548592 FUMWGLOBUGANGN-UHFFFAOYSA-N 442.494 0.974 50 20 ICGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 788066768 KXZJQAXBMYFNFE-UHFFFAOYSA-N 436.512 0.481 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 788165830 JZJJEDVFBBWNGE-UHFFFAOYSA-N 426.271 0.163 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnccc2Oc2ccccc2)n(C)c1=O 800516689 GAPXFFAVMFMARQ-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD C[C@@](O)(CO)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 801976296 UIKGTZCJEFLHQB-UEOBAOCASA-N 431.880 0.845 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CCc1ccccc1O 802722028 OFKZQZJXHCOIRS-UHFFFAOYSA-N 428.488 0.747 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 808593309 CFGPODGTEHOEFM-QGTPRVQTSA-N 440.408 0.821 50 20 ICGD COC(=O)Cc1occc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 810593884 MGKZIDXTYBVLDU-UHFFFAOYSA-N 428.445 0.214 50 20 ICGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)CC1 815692670 YALHAMNLFRGFHF-QGZVFWFLSA-N 439.520 0.859 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 825649172 DOIKLCKMYWCHLJ-UHFFFAOYSA-N 442.444 0.901 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@@H]1C[C@@H]1C)N(S(C)(=O)=O)CC2 913161581 OOJDKXYVKBVEPL-LNSITVRQSA-N 425.507 0.756 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 914846872 YNEXPROFQZCBNN-GFCCVEGCSA-N 430.914 0.786 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2sccc2-n2cnnn2)c1 916096289 MREHTGRXJOTSOP-UHFFFAOYSA-N 449.518 0.829 50 20 ICGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)n[nH]c1C 917717685 MLTOFYQDFJGJIS-UHFFFAOYSA-N 442.450 0.544 50 20 ICGD NC(=S)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 918684982 CLDNUTVDSBSRLW-UHFFFAOYSA-N 448.526 0.417 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)N2CCCC2)CC1)c1csc(N2CCOCC2)n1 918776193 JHBCIEAHNOZTTF-UHFFFAOYSA-N 437.526 0.168 50 20 ICGD CCCNC(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 921041163 YPWJCSRASKTLFR-UHFFFAOYSA-N 439.494 0.510 50 20 ICGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 921041710 JDYCYXMFKILZLA-CQSZACIVSA-N 439.538 0.810 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832535 FWWTXCHNRZLGCH-SJKOYZFVSA-N 437.298 0.741 50 20 ICGD O=C(c1cc2cccnn2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779960264 DQXNSFDYTDSXOK-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780620658 PQGAYTJSXYPQEF-SEFBGJTPSA-N 429.521 0.859 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1781471262 NIKDGVFBZKZTQB-DNVCBOLYSA-N 444.674 0.836 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1F)C2 1782211971 KZUOWIVCFKNYMC-DYESRHJHSA-N 435.500 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1782214475 RGTYKQNNCATITG-WTVLQJKYSA-N 432.924 0.798 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782214547 KKLGZYDFDPAYMU-XHBSWPGZSA-N 444.381 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 1783648661 FKWULPQRYWWTQU-UVBJJODRSA-N 437.447 0.324 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1783870991 LAZQFELOGJUCIU-RPTXYRIKSA-N 449.935 0.943 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784582006 HXAXXYJJDIZXCN-AOMKIAJQSA-N 426.278 0.282 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1784652328 QVYSRTVAUIUZQJ-IVZQSRNASA-N 438.488 0.327 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785566819 QRHJPJVEXSCFLC-UTKZUKDTSA-N 437.924 0.809 50 20 ICGD CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N(CC)CC 1786983282 LPNVWUHPEXKCAX-WJMWBRGCSA-N 445.369 0.080 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)[nH]n3)[C@H]2C1 1789304337 JAUSORXUZCDRPP-ARQYOALSSA-N 441.492 0.445 50 20 ICGD COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1793361695 PGNPNMQNNCBUEK-OHTBPHCPSA-N 437.356 0.513 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncccc3c1)C2)c1cccc(B(O)O)c1 1795739012 MDOQTDFNISRQNK-HATOLVCRSA-N 445.284 0.432 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740273 MUWIVFYBAVOUQD-IULUFPOFSA-N 438.289 0.575 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889898 ZFFQSJTUUIGWMX-MGOFVVPESA-N 440.504 0.617 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2cnccc12 1797470879 CTJVPURQJBAXEO-OPMZPASUSA-N 445.284 0.432 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1797952925 RQUCSILLPJBPTM-CWPLJXCYSA-N 425.602 0.830 50 20 ICGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)CC1 1797955017 YYYMDZASUHENQF-XEMDLRDOSA-N 426.634 0.065 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800675248 AICPQZOQFSUIQF-FMSGJZPZSA-N 434.331 0.884 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1800974349 UGHGWKWQBJWJEV-VVRDOHNDSA-N 441.956 0.621 50 20 ICGD Cc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801010576 HZMQJDDVNBCFQO-OPMZPASUSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCCO3)C2 1801012165 JSAIOMOAGNPMJX-OPMZPASUSA-N 444.532 0.588 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297798 DHBODVXONAOARP-HNCHTBHHSA-N 432.344 0.517 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803143167 VVMRHFSDJCUMTN-ZDRJDWQYSA-N 432.912 0.978 50 20 ICGD CCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1805909477 VTGPPHUMHBCSGT-UWJYYQICSA-N 441.536 0.991 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cc(O)ncn3)C2)CC1 1806212443 HRFKGSPNQAIJJF-UHFFFAOYSA-N 439.476 0.339 50 20 ICGD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807092239 BFUJHNSYMCFQQN-RXVVDRJESA-N 438.337 0.469 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371066 PANJNYGHXIAEOY-REWPJTCUSA-N 444.300 0.719 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1808260870 YYBKPROUTCLXEE-OFQRWUPVSA-N 432.845 0.830 50 20 ICGD O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1812716793 UCYQYCWVQHMGTI-ZBFHGGJFSA-N 433.336 0.178 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 1815451737 OHAISSHTPSEHTK-ZDUSSCGKSA-N 446.533 0.290 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471628 UBPFGTACVJGXFQ-SOVGHPHASA-N 427.314 0.769 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)no1 1817475927 VICGWLRRKORCPM-GOSISDBHSA-N 437.265 0.935 50 20 ICGD CN1CCN(C2(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@H](O)CCl)CC4)CC2)CC1 1822711748 FGSMRAPDABKNBY-TZMCWYRMSA-N 441.985 0.435 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824488849 JKYMNMUMTOTNPG-DYESRHJHSA-N 426.322 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824562352 SZEXMBKEKTZFGW-ZJUUUORDSA-N 441.897 0.884 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826125471 CMJUQLSKXCAPFL-ZFWWWQNUSA-N 449.363 0.163 50 20 ICGD O=C(CN1CCCC1=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054418 AMEHIQQYIVMWSD-FQEVSTJZSA-N 441.337 0.222 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924093 JZCWUZXNFLPLPT-IBGZPJMESA-N 444.536 0.445 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924664 XHCCJIFPOYBTRP-LIRRHRJNSA-N 444.536 0.443 50 20 ICGD COc1ccccc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736967 YWMYSILRSCJXSP-OXJNMPFZSA-N 426.897 0.294 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccc(F)cn3)CC2)CC1)[C@@H](O)CCl 1833310896 XXMNTJSSABYXRK-SFHVURJKSA-N 426.920 0.935 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cnn1C 1834428257 FCPJFPKZTUFPTL-YVEFUNNKSA-N 429.315 0.582 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n[nH]1 1834823417 UADNWHZISJRKHW-KRWDZBQOSA-N 429.315 0.502 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834958511 CZFFWFJEQOXAMW-QFBILLFUSA-N 430.860 0.261 50 20 ICGD N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1835737039 SWBBEPRGDGMNRC-UHFFFAOYSA-N 439.520 0.174 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938538 XPPYTSCXQMBHNY-REWPJTCUSA-N 442.321 0.205 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1837456010 HJGCXRYYWJDVRE-ZHRRBRCNSA-N 443.504 0.111 50 20 ICGD O=C(c1ccc(CO)o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837970133 DCLRYPDKPXELIL-CJNGLKHVSA-N 435.246 0.532 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1 1838350583 ZLIMGEQDWVOJMH-LJQANCHMSA-N 438.557 0.407 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839198478 FLLAQULBUAFSTB-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203342 IOKGHTAGEPENQT-UNEWFSDZSA-N 437.306 0.950 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839965528 AYNYHNTZJJTFCA-TXPKVOOTSA-N 446.386 0.958 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)nc1)NNC(=O)c1nn(-c2ccccc2)cc1O 9810304 GZBAIYIWMQVIKT-UHFFFAOYSA-N 437.460 0.954 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc2c1=O 17190174 GJIOQXHFOYZRDM-UHFFFAOYSA-N 448.439 0.543 50 20 ICGD C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)NC2(CCCC2)C1=O 728847062 ZTMKAOBRAQJAKJ-ZDUSSCGKSA-N 429.481 0.094 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730322252 JWHFWHUWYPPVMQ-HQIZRNBFSA-N 440.547 0.942 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1S(N)(=O)=O 733169875 DEWOYTHAPBQJOQ-UHFFFAOYSA-N 447.448 0.671 50 20 ICGD CC[C@H](COC)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 739048391 JHEZNWYCZZXGMB-MRXNPFEDSA-N 442.538 0.396 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)NCC(F)(F)F 741300065 BBVCURSBIUMYDS-UHFFFAOYSA-N 425.385 0.904 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c1 744861086 GQWQKYQGUQSCGB-UHFFFAOYSA-N 435.396 0.334 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc(OC)c1OC 748012663 LXLMYHHLPMSOGK-NRFANRHFSA-N 442.428 0.842 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748246665 FNQYKPICRBVRFQ-UHFFFAOYSA-N 438.506 0.060 50 20 ICGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CCN1c1nccn2cnnc12 749451021 SMDWXRMKPJTJRQ-ZDUSSCGKSA-N 428.884 0.749 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 751564212 UUWMKLCCSZUYJT-QWHCGFSZSA-N 443.909 0.149 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756034192 WYJXOGGQPQVTMJ-LBPRGKRZSA-N 448.473 0.051 50 20 ICGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1 758038406 DYVUJBVWPBTULA-UHFFFAOYSA-N 425.405 0.429 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=C[C@H]1C[C@H]1C)c(=O)n2Cc1ccccc1 758364728 IBNBVUUGIIIMAD-NVXWUHKLSA-N 438.488 0.812 50 20 ICGD Cc1ccc([C@H](CN2CCOCC2)NC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758681243 GHEUEOJBGDTEQT-KRWDZBQOSA-N 426.477 0.732 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3ncccc3[N+](=O)[O-])CC2)cc1 759289319 AKUJBMKMLJRTST-UHFFFAOYSA-N 434.478 0.748 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCOc2c1cc(Br)cc2[N+](=O)[O-] 761809440 MHICMIHNWOIJGF-SSDOTTSWSA-N 435.256 0.898 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 763857667 OCTOXIQEKYSIHQ-LBPRGKRZSA-N 432.408 0.633 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 763949724 RCBDVGFCRJVQLV-UHFFFAOYSA-N 436.384 0.423 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)CSc2ccccc2O)c1=O 763984663 ULNXIQCFSNVZDC-UHFFFAOYSA-N 440.503 0.544 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2cccc3ccccc23)c1 764034130 ATKUAESWTIGHFE-UHFFFAOYSA-N 444.444 0.955 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764131592 JLVMOKZDSTXJDY-UHFFFAOYSA-N 446.485 0.564 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764160772 HZJKTEVJQQCJLL-OAHLLOKOSA-N 438.440 0.447 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764298405 RGOLOYPRLVIPSB-KRWDZBQOSA-N 440.460 0.286 50 20 ICGD Cc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC(F)F)cc1C 764812726 PXODDLUYZQGXQK-UHFFFAOYSA-N 434.403 0.802 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)c3c(c2)OCCCO3)n(C)c1=O 764813318 YRRAQVDHYSEFQM-UHFFFAOYSA-N 446.851 0.399 50 20 ICGD COC(=O)c1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]1 764817086 NEFFAYGNDVGUPU-UHFFFAOYSA-N 447.517 0.566 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 764936077 XLDRFNQRUPZQRH-UHFFFAOYSA-N 434.499 0.323 50 20 ICGD O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NNC(=O)c1ccc(-n2cnnn2)cc1 767296372 OTEOGRLTOSUKNL-UHFFFAOYSA-N 433.428 0.971 50 20 ICGD COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851783 UUKSAMCSOXTDLG-UHFFFAOYSA-N 438.325 0.555 50 20 ICGD C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005155 RFDIUUHYMYABDF-CYBMUJFWSA-N 445.501 0.489 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784170183 BTZGBAXAESJBFU-MRXNPFEDSA-N 427.461 0.991 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1 785226522 IHMRWHBOVBXHFV-UHFFFAOYSA-N 435.510 0.621 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1N1CCNC1=O 787540709 DMPSCFUJACGKCT-KRWDZBQOSA-N 439.428 0.451 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 789735863 WCDQMSNRSLGLSW-UWVGGRQHSA-N 445.567 0.318 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(F)n2)c1 793023726 UXIWBBXSZOSDPJ-UHFFFAOYSA-N 437.453 0.651 50 20 ICGD O=C(O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793450326 JLOZUXUNYGEGNX-SECBINFHSA-N 444.267 0.311 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cc(-c2ccccc2)on1 794896545 ZJFHCMCEZYIUBW-UHFFFAOYSA-N 440.441 0.957 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)ccc1OC 795160148 DJSFDBBPTZFWQW-UHFFFAOYSA-N 442.519 0.611 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)N[C@@H]1CCS(=O)(=O)C1 797710987 CNWHXMLKBJDOHK-LLVKDONJSA-N 447.510 0.673 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccc(F)cc3S2(=O)=O)cc1OC 801663285 LYGJYLOXPKQKOU-UHFFFAOYSA-N 437.405 0.449 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)cc1 808093239 KUDNSCWRNRNBAE-UHFFFAOYSA-N 441.531 0.901 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(Br)n1C 808103766 CRDFSGKLSJROQL-UHFFFAOYSA-N 426.293 0.325 50 20 ICGD COCC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 813840356 MIGURKXBLOORKX-UHFFFAOYSA-N 428.511 0.324 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)n1C 815826873 DLEXSHXEBGYOEE-UHFFFAOYSA-N 427.505 0.699 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1OC 913606430 NLABCUJHVUZSHQ-UHFFFAOYSA-N 432.458 0.918 50 20 ICGD CC(C)OC(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916219564 FMUVLCMXWBSOJK-UHFFFAOYSA-N 426.495 0.757 50 20 ICGD CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 917982139 OJSPTAVGNFBNLO-ZQIUZPCESA-N 433.461 0.554 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)Cc2cc(O)nc(S)n2)c1 1321415064 LKUKTXYTRSHSSR-UHFFFAOYSA-N 442.548 0.282 50 20 ICGD COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](Cl)COC)C3)n1 1778247362 WZSZCTGFCRDRCI-WRWLIDTKSA-N 442.944 0.911 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389195 NPWVGDLUGZGQNT-BMIGLBTASA-N 430.259 0.935 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779825226 UDPYVRDLVKULIF-NRFANRHFSA-N 442.451 0.285 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781226488 ZGMQBESFFMYZAZ-UHOFOFEASA-N 444.381 0.380 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)no1 1781331402 JSIPYDLNEAMHLD-XJKSGUPXSA-N 447.261 0.233 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781836004 LLQHPTMRXKECHX-SQGPQFPESA-N 433.977 0.194 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cncnc1)C2 1782211980 LQLQSGJSUZRCEQ-XMSQKQJNSA-N 446.552 0.296 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783349463 MDPMKMVPBWCXQO-WBMJQRKESA-N 435.388 0.474 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]3C2)CC1 1783845852 BUJQBEBBUCVAGP-BZSNNMDCSA-N 429.005 0.869 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1783933993 QSQYVVCTUFSGOW-NRFANRHFSA-N 445.476 0.751 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783969534 NPDUEJHKEORACW-TUUVXOQKSA-N 432.359 0.866 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984204 QJBQCEPSQAHYFH-IHPCNDPISA-N 428.338 0.952 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@H](F)Cl 1787450698 UVXNNGJBQSOTDA-UHXUCMFUSA-N 430.820 0.271 50 20 ICGD COC[C@@H](Cl)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788410081 KWQVQLBXNDMVIN-CYBMUJFWSA-N 445.867 0.814 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1792874001 IKOPFEKQVGLZIO-OVYGPGRDSA-N 445.402 0.243 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C 1795436674 UIMLSISLAGPPFF-YVWYUNDQSA-N 448.476 0.675 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737388 YDKSFMUMIOARIV-HNJRGHQBSA-N 426.253 0.280 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c2c1 1796193195 SZYRFSDOXVHAED-BCDXTJNWSA-N 443.272 0.680 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796304130 NMZDIKHBNYCXRE-RKEKIRQTSA-N 445.383 0.634 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799364702 BCOOHVINODAKJA-BUONHZGMSA-N 437.896 0.386 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1800983343 YZHSKJCWKIYCOC-SFNKJDCFSA-N 437.924 0.650 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)cn2)[C@H]1c1cccnc1 1806113091 VLOLGACFIIPKOM-HRAATJIYSA-N 440.504 0.875 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806591252 ZGVVJESOEYRORZ-LBPRGKRZSA-N 429.315 0.553 50 20 ICGD COCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806745923 DUHZWQMRZQDZPN-DNVCBOLYSA-N 426.477 0.436 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807361547 RHYMSQAXPDWYFM-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1813075026 ZBVXUNAKXQFVMY-OXQOHEQNSA-N 425.493 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816626455 NLIAPOZHVSKZTQ-BXUZGUMPSA-N 449.899 0.909 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(O)n2)[nH]n1)c1cccc(B(O)O)c1 1817473500 WWEVFGOFYKMNQA-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1826098864 MOCAZAUNWPXXOS-ZCFIWIBFSA-N 442.288 0.904 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1827053080 BIQNDBLMHFHFNP-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n(C)n1 1830359100 UYXJVMOOIJJXLJ-LJQANCHMSA-N 428.917 0.764 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830543484 SRKJIBIFIZWKIS-FZKQIMNGSA-N 439.310 0.987 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830725535 JGYSDSXUIWIMIL-LAUBAEHRSA-N 440.924 0.738 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730718 CGQREQYWZAMDLQ-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733983 XNEGPTWHINMBFM-ACJLOTCBSA-N 434.823 0.340 50 20 ICGD CN(C)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834014693 AVORRIMDGIXPQY-LJQANCHMSA-N 437.972 0.933 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826769 VJCMSPLVQHNDRA-IUODEOHRSA-N 427.723 0.482 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837200811 UNLXOSFFVPZSGI-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)N1C[C@H]2C[C@@H]2C1 1837281750 HCLAMZUZCPAMEO-NNFUDEMPSA-N 444.370 0.568 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837381127 MQSJOBFEWXREPB-DNVCBOLYSA-N 444.605 0.002 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837482994 HUXSMWALUPJJLJ-YZVOILCLSA-N 425.917 0.751 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838077950 DCHQHMQHVQLMDB-HNNXBMFYSA-N 442.900 0.754 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838534535 ORAARAIGIXDHSG-RHSMWYFYSA-N 446.273 0.146 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1838534559 PUFHTOMWZBCKDQ-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683536 JEGGBYJKTDJTML-RHSMWYFYSA-N 429.315 0.962 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203341 IOKGHTAGEPENQT-UKPHBRMFSA-N 437.306 0.950 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839966166 WMLIXVLNQJUIPE-DYVFJYSZSA-N 446.298 0.410 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840149989 CSFCJNWECBUTTH-KUHUBIRLSA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1840150311 IBYWCYZMRLTVOM-DICRZQGBSA-N 446.928 0.286 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](Cl)COC)CCO3)C2)CC1 1840155915 JVRVTIYANCZLBW-KSSFIOAISA-N 432.901 0.040 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840855410 HCZFOPCTELYJLX-XUWXXGDYSA-N 448.358 0.531 50 20 ICGD COc1cnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(F)c1 1842272708 FJPCUAAQGLFYLV-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD O=C(c1occc1Br)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013752 IUWFBTVELLXXQA-UHFFFAOYSA-N 433.067 0.853 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2csc3c2CCCO3)C1 1843225184 OKSMGXIUALHVGR-UHFFFAOYSA-N 426.303 0.884 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Br)C3)cn2[nH]cnc(=O)c12 1844656527 BKMKBHCAJYRMEE-GFCCVEGCSA-N 426.246 0.839 50 20 ICGD C[C@H](CC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)NC(=O)OC(C)(C)C 1846384806 KTOKEWATZJVWOQ-OAHLLOKOSA-N 439.557 0.866 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 18071569 RLUKKNYBMSEFNX-ZDUSSCGKSA-N 427.465 0.879 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 26219944 MVNLQTCBHNDBTF-UHFFFAOYSA-N 449.514 0.707 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 26977933 WNCZZDBTOTYZSD-SJCJKPOMSA-N 435.458 0.349 50 20 ICGD CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216153 SXYLLMZCSBQNQN-GOSISDBHSA-N 437.566 0.857 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728889348 DMMIAAHILLMPKN-UHFFFAOYSA-N 432.506 0.452 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@H](C)O1 728960237 XJENJRWJHMFVLM-HOTGVXAUSA-N 433.557 0.911 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 729519332 TUNKOXSLLUOHJI-INIZCTEOSA-N 443.489 0.139 50 20 ICGD Cn1c(NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)nc2ccccc2c1=O 733260365 BQYQLNICENOKMK-QFIPXVFZSA-N 432.440 0.770 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(-n2cnnn2)c1 744622016 UPFOVQCTODYPGP-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744708704 MAOVZAJCNPWGLY-NSHDSACASA-N 436.471 0.291 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 746590738 DXBWRARLVCSJFC-ZETCQYMHSA-N 446.385 0.293 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3ccc(C=O)cc3)cc2)CC1 748621040 WSNNIKDKQDVIDU-UHFFFAOYSA-N 432.502 0.957 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC1CCCC1 749951725 OIWNAGBQSMVCST-INIZCTEOSA-N 445.563 0.496 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)sc1Br 751212091 WAYRMWQSYOHNRC-SSDOTTSWSA-N 432.343 0.499 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1 751290939 NPBZGQFYEPBBRK-UHFFFAOYSA-N 443.503 0.214 50 20 ICGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 757796333 MFDWHOQXDCBAQL-RHSMWYFYSA-N 437.570 0.127 50 20 ICGD CCCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 757846047 HKHXYVGDSUMOCO-UHFFFAOYSA-N 429.437 0.075 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 759760889 FSRXLRDEZOITIG-UHFFFAOYSA-N 437.444 0.113 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cc(-c2cccs2)[nH]n1 763166853 LNWWRFJENKAGLW-UHFFFAOYSA-N 447.498 0.908 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 763810090 ZUGUTSMHEUUNMT-UHFFFAOYSA-N 439.428 0.212 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 763820358 GHEHYLKNNVFURP-UHFFFAOYSA-N 439.516 0.907 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763821200 UNUOGHLNNXFQSW-ZDUSSCGKSA-N 433.490 0.349 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763823421 BTNMGZNCMRYWQY-UHFFFAOYSA-N 433.490 0.349 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763866279 VIJZNJZKWBBGQK-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc1 764100130 WCYKNBXLTMUIEJ-UHFFFAOYSA-N 436.494 0.538 50 20 ICGD CN1CC(=O)N(c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)C1=O 764152901 HRXRCTSROSBDMM-MRXNPFEDSA-N 437.412 0.175 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1C(=O)OC 764155035 VWZKOIPKRBKWJL-MRXNPFEDSA-N 441.396 0.349 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)CCOc3ccccc3)n2)cc1 764168746 UUCQVEWKXHJDKB-UHFFFAOYSA-N 433.428 0.753 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764169428 WBABRRYIKFBMAE-KRWDZBQOSA-N 427.413 0.718 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 764187828 JJLQHIMKZWWQDP-UHFFFAOYSA-N 442.520 0.806 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cn1ccc2ccccc21 764240073 ZQSQGKGCLBVEJZ-UHFFFAOYSA-N 436.472 0.967 50 20 ICGD COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764294017 SMCLPNVRCYWPOB-UHFFFAOYSA-N 442.476 0.763 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccncc2)n1 764353470 HKSYLUFPBUBVDY-UHFFFAOYSA-N 436.428 0.773 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)NC(C)(C)C 764355470 BJIROUYATLGOGY-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cc2c(s1)CCC2 764545296 UIEHSSMGCLBHRP-UHFFFAOYSA-N 428.518 0.917 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 767094477 WHBYWZLOZWVFGI-UHFFFAOYSA-N 441.435 0.941 50 20 ICGD CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 767162302 XLJQNMUMHFGXDP-UHFFFAOYSA-N 434.474 0.892 50 20 ICGD COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NNC(C)=O)CC1 767809876 CJKWHFKRPKFLTB-UHFFFAOYSA-N 446.913 0.129 50 20 ICGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 771392239 IXJZNQIORHXDRK-CYBMUJFWSA-N 427.483 0.112 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1Cl 772188329 KWYHALUAUOMVTQ-UHFFFAOYSA-N 445.284 0.718 50 20 ICGD O=C(NNC(=O)c1cc2c(O)ncnc2cn1)c1cccc(S(=O)(=O)N2CCCC2)c1 777403116 SPHCAJPLOUPXHN-UHFFFAOYSA-N 442.457 0.590 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)c2ccccc2c1=O 777787433 UKWAQRNNGDSZLV-UHFFFAOYSA-N 425.386 0.921 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 778445437 NGOXTJKFUMMVMP-CQSZACIVSA-N 440.522 0.759 50 20 ICGD Cc1cc(Br)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 780380595 UABIQMGYWUSXLU-JTQLQIEISA-N 426.314 0.437 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CCS(=O)(=O)C1 783428941 ZPWVNVUWZYDFOT-OAQYLSRUSA-N 444.513 0.753 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnc(Cl)c1Br 784003008 OQOSURQYWSTDKM-UHFFFAOYSA-N 432.662 0.514 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1 784004984 MUAMMTNSNHPYTI-UHFFFAOYSA-N 426.401 0.908 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNc1cc([N+](=O)[O-])ccc1Br 800619183 JLXHLVWMNBUZDF-UHFFFAOYSA-N 425.261 0.756 50 20 ICGD O=C(NC[C@H](c1cccs1)N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 806994430 VWRYSWDFXKYEOG-MRXNPFEDSA-N 442.505 0.741 50 20 ICGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807923008 BAWJALFQPLTZHZ-CYBMUJFWSA-N 427.479 0.058 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)cn1C 808068864 JLWMDQUNXUXZRJ-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD COC(=O)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C 814689100 UKKMOYGVQTXGMH-UHFFFAOYSA-N 434.474 0.597 50 20 ICGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 913156081 RIRUKRBANKAGLI-UHFFFAOYSA-N 431.359 0.455 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CNC(C)=O)cc2)cc1 913391916 PASBBPBORICZRC-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)c1ccccc1O 917358889 XZFONQXIPNYINQ-UHFFFAOYSA-N 428.264 0.894 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N1CCNC(=O)C1 920849832 LWSFRURTFCRLDP-NTEUORMPSA-N 426.864 0.944 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1cncn1-c1ccccc1 1317752579 KJWANJKXTCMSGE-UHFFFAOYSA-N 433.222 0.358 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccncc1 1319554799 ITEGTUYOXGQOLM-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD CN(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(N)=O 1325007350 ZEAAUMYBVWLBPS-LLVKDONJSA-N 435.300 0.024 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnco1)C2 1778091816 RRDVRXKPLKNTFK-ZNUZEINGSA-N 442.476 0.936 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cccs3)CCO2)C1 1779031699 WNFYNWDMWQMQJG-FQEVSTJZSA-N 429.502 0.433 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)ccn1 1780322963 FKKNERIRIFWYPO-FOIQADDNSA-N 439.896 0.956 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2)NC(=O)NCc1ccccc1 1780968669 PCOHBLHHBFUPRW-NJNPRVFISA-N 447.511 0.521 50 20 ICGD Cn1cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2n1 1782242328 PXINAGWQXQVCPK-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782341337 JFPCGPUGBGMDMT-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783435337 SIUTXUKAQALFIV-HJWJTTGWSA-N 425.869 0.717 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1783878277 CIXPPWHKBJUOOR-PJIJBLCYSA-N 433.933 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnc3[nH]1)CCO2 1783935132 ODHSJWJDWGZQAA-NRFANRHFSA-N 428.493 0.379 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(OC)c1 1783935431 SOJKMHIHHNTROU-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N(C)C)c1)CCO2 1783935962 YZMSEFDWQGDISE-JOCHJYFZSA-N 431.537 0.569 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2)C1 1783984610 ODTQTXREIYTWKX-TYILLQQXSA-N 433.933 0.983 50 20 ICGD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1F 1785794951 SLCQERHCLSRBTG-YDHLFZDLSA-N 438.504 0.078 50 20 ICGD Cc1scc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1C 1786979399 DLZNGCVABCLZTP-QRFRQXIXSA-N 442.346 0.952 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nc[nH]c34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979971 VGKASNXUQXKPTM-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(-n2cccn2)nc1 1788982015 NRBZGRQMKJYEGU-QAETUUGQSA-N 433.896 0.460 50 20 ICGD COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CBr)C[C@@H]32)CC1 1790883743 OASMHPBYKKNAND-RFGFWPKPSA-N 431.327 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]21 1791291093 YULJHWMPSXNFMD-ZQIUZPCESA-N 438.475 0.931 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311429 HHBBAZWPXYNOKF-SRVKXCTJSA-N 427.851 0.910 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1ccc(N2C(=O)C=CC2=O)cc1 1793117761 CQXXCOCCIPVAJI-ORQFMDKSSA-N 431.876 0.968 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)c(=O)[nH]c1C 1794312155 DMJZNBSABDZHAR-KNDHEWATSA-N 427.299 0.373 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116915 GDALWKFCLSRKJJ-ZSBFGKGUSA-N 427.343 0.954 50 20 ICGD Cc1cc(Cl)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732609 BOLIUNABKXUWAC-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955299 YUSWJYIENIKEQO-RVMXOQNASA-N 437.298 0.359 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2cccnn2n1 1798422386 YSNINHVGNGYZGX-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443678 VAMCOSHOWIKZIP-HNKHHVNMSA-N 425.493 0.703 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)OC(=O)NC(C)C 1799130477 IKHDAEWHWDZFCE-XGUBFFRZSA-N 433.933 0.743 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1805688094 UFPCSLVGGCPVDX-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375740 VBBHMIJHLGFGFP-OXJNMPFZSA-N 436.252 0.862 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807618543 VSTRYAVURTVTLY-OFQRWUPVSA-N 436.314 0.948 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C2=COCC2)[C@@H]1c1cccnc1 1810308086 IVKTZUJPZOLSGA-DNVCBOLYSA-N 436.472 0.704 50 20 ICGD Cc1nccn1CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812407495 CIXRDRHZDGYZNK-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CCCS1 1813612133 QXAQUMUAUJPAMZ-SXLOBPIMSA-N 439.346 0.977 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)CC1 1814871730 AKIBKZBQRCCELZ-CVEARBPZSA-N 440.932 0.166 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348407 MKKXNDBHHSPKCZ-NHYWBVRUSA-N 429.307 0.664 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)no1 1815868203 ASXFNUATRNAZNT-INIZCTEOSA-N 438.253 0.330 50 20 ICGD Cc1[nH]nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1F 1816228725 HCPMJWFPHSZIDN-HNNXBMFYSA-N 440.244 0.880 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817471620 TYTRDQHTXYEBIY-SFHVURJKSA-N 435.249 0.810 50 20 ICGD Cc1nccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472161 LWIVIGLQHJGDPG-QGZVFWFLSA-N 434.265 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1csc(N)n1)CC2 1826085386 PYQFUHGFZLAGRE-VIFPVBQESA-N 437.551 0.781 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830537768 OBVQNDUNKHSHMS-IAQYHMDHSA-N 437.360 0.100 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733758 SOOYUJHTXLFARJ-KBXCAEBGSA-N 449.287 0.421 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831181340 CBSWWCURUYTEMT-GUYCJALGSA-N 434.331 0.143 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831742202 NGQJDUNUNMDHHP-XHDPSFHLSA-N 433.328 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccoc3)CCO2)C1 1832655565 RVJNKUXFPDVBID-GUWAZMKPSA-N 434.493 0.122 50 20 ICGD O=C(Cn1nnc2ccccc21)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833651328 ZFZZAGKWHBXWRH-LJQANCHMSA-N 448.955 0.603 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccns3)CC2)CC1 1834054385 QEYBSYSLFMCUQP-UHFFFAOYSA-N 436.582 0.701 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1835988279 MIVSCISUJFHBJH-WBVHZDCISA-N 447.305 0.500 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1 1836197384 ZFRZZAQIVSHYBB-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839147138 HQAIXGWJUXEBHH-XLIONFOSSA-N 442.988 0.240 50 20 ICGD N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1ccccn1 1839199841 WQKZBAZMJAJOQF-ZQIUZPCESA-N 445.289 0.228 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839448959 KLHMSJNDKQQIBF-KXBFYZLASA-N 428.869 0.422 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839962724 PLXRQZQLEAVKFO-XHDPSFHLSA-N 433.328 0.782 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840153351 LNLMOSCDDWTNAV-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840154686 COLJUWBHWPLAKO-KXBFYZLASA-N 430.860 0.855 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CN2CCc3sccc3C2)C1 1841935005 WLQTYQQMNRRWJR-UHFFFAOYSA-N 439.346 0.303 50 20 ICGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013979 KFTILQTVMINVLQ-HXUWFJFHSA-N 433.273 0.701 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843014691 PHRPFBBEYXFFJK-UHFFFAOYSA-N 437.261 0.676 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc(C(F)(F)F)cn2)C1 1843211817 WIFCIMWWSINODF-UHFFFAOYSA-N 434.183 0.306 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c(C)nc3ncccn23)C1 1843749465 LOKWWNSZKRDLNB-CVKSISIWSA-N 448.487 0.989 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1 1845500919 FFAWACCVJBKWOZ-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCCNC(=O)OC(C)(C)C)C1 1847069095 GOZBZMKBOIVEFO-UHFFFAOYSA-N 439.557 0.868 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 16786091 ZBFKEUUVJPARAP-ZDUSSCGKSA-N 431.536 0.221 50 20 ICGD O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@H]1COc2ccccc2O1 104527623 LBQLDEGMLSOEQE-GFCCVEGCSA-N 428.323 0.433 50 20 ICGD Cc1ccc(C(=O)NNC(=S)NCC2CCC2)cc1S(=O)(=O)N1CCOCC1 727866808 ARHPBRAEIHSCJW-UHFFFAOYSA-N 426.564 0.925 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2)nc1)NNC(=O)[C@H]1COc2ccccc2O1 728342858 KHUCMUXMQUMQFL-QGZVFWFLSA-N 426.429 0.826 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 728370813 CHCQVCLDDAUGKS-ZIAGYGMSSA-N 427.910 0.774 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)n1 728722203 MZJXYORCVLDZFP-SNVBAGLBSA-N 446.532 0.113 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1Br 729347770 IDDIMTOUKDPMSJ-UHFFFAOYSA-N 435.300 0.386 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c3ccco3)cc12 742062691 QINSQKIVEMXYOE-SNVBAGLBSA-N 432.462 0.232 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(OCCN(C)C)c1 743531198 JTLNCOBBUCHRTP-UHFFFAOYSA-N 434.522 0.052 50 20 ICGD Cc1cc(NC(=O)CSCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)no1 743829532 UIWXYMLUSSSVEF-UHFFFAOYSA-N 441.491 0.911 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCCCC(=O)OC)c1 747715456 IGXNOTPWXOXHNM-UHFFFAOYSA-N 430.552 0.779 50 20 ICGD O=C(CCn1cnc2ccc(Br)cc2c1=O)NNC(=O)C(=O)N1CCCC1 748247587 RYEQRZDPTXRWFZ-UHFFFAOYSA-N 436.266 0.319 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)CNC(=O)c1cccs1 749367165 RNAXJCIIVVMOSB-INIZCTEOSA-N 445.476 0.993 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn2nc(C)cc2[nH]c1=O 750208524 ODBKOUIOOXSOCL-UHFFFAOYSA-N 433.808 0.611 50 20 ICGD NC(=O)c1ccccc1OCCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 750544271 JJGBLADLAGKZBT-QGZVFWFLSA-N 443.412 0.085 50 20 ICGD Cn1cc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cn1 751290997 QCIXRDZUNZPRKL-UHFFFAOYSA-N 427.486 0.902 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755088331 WJXVCXVURHPUFD-UHFFFAOYSA-N 442.391 0.849 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 760280246 UCZQQENJPBNZCQ-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 762862247 UJKFTELBEWZBEO-AWEZNQCLSA-N 440.460 0.581 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3)cc2)CC1 763419890 JHODODYHYDKUFS-UHFFFAOYSA-N 439.472 0.381 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763430843 OFXWRCCCMKNMQQ-UHFFFAOYSA-N 426.429 0.567 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 763797103 PEINXTMDKQIGTM-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916666 IUGPWBQGXDJBSX-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 764227799 RUZFOUHQOCVNDD-MNOVXSKESA-N 427.508 0.104 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 764233875 IOJVJWGZFLLYKV-UHFFFAOYSA-N 449.464 0.089 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 764345160 BRXRGODBFXVOOR-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764401665 PXQKJPXYNYAABE-UHFFFAOYSA-N 446.485 0.981 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764428820 LKAARQVVIRDDGV-AWEZNQCLSA-N 426.857 0.322 50 20 ICGD Cc1nc(C)c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 765119343 VKXSQNZLDBFIJQ-UHFFFAOYSA-N 437.547 0.527 50 20 ICGD Cc1cccc2c(CCC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 765728879 TVQRAOKQLZHBKE-UHFFFAOYSA-N 437.460 0.004 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 767270724 GXMBOSDTEKWJRX-UHFFFAOYSA-N 427.413 0.387 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768242142 OYTRIMDMOGQRHE-UHFFFAOYSA-N 435.444 0.842 50 20 ICGD Cc1cc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)c(C)n1-c1ccccc1 769651947 WFNMWVPDAQDKSE-UHFFFAOYSA-N 442.563 0.940 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1F 773890239 YXJXOCWUUWUIDR-UHFFFAOYSA-N 430.440 0.789 50 20 ICGD COC(=O)c1cnc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cn1 779676159 SLXVMBJDPDFFMZ-UHFFFAOYSA-N 426.477 0.150 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 782967212 SOCRWNZQGCIMJS-UHFFFAOYSA-N 433.428 0.503 50 20 ICGD CSc1nnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 783059567 NLJKOXUXXFXAMS-UHFFFAOYSA-N 430.537 0.655 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 784003494 HEAMQSRHFZQKNT-UHFFFAOYSA-N 429.458 0.539 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(Cl)nc2)cc1 784871482 LTOFAYLFAHHCAR-UHFFFAOYSA-N 427.870 0.742 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789736009 YNVIADSRABETDH-VPOLOUISSA-N 429.524 0.070 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCc3ccccc3C(N)=O)cc2)CC1 792268403 WTSFIFVQFUMSKL-UHFFFAOYSA-N 445.545 0.798 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 793681700 JPBYAGSAHGKCRG-WQJLCKOUSA-N 434.540 0.986 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 798420593 UOPHOQJSAZTUCV-OAHLLOKOSA-N 430.486 0.939 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cnn(-c2ccccc2)c1 799531664 TYCUWHDBNDVDRI-UHFFFAOYSA-N 435.487 0.404 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F 805768366 YUPYMAGRHQQTBW-NSHDSACASA-N 436.416 0.030 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ncccc1F 807301913 SZIGGJPWIAILNB-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 810105408 BHOCNPLXBHLMGR-UHFFFAOYSA-N 439.515 0.446 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNc1nccc(N2CCOCC2)n1 810558756 DOMIRQRTXAFOHU-UHFFFAOYSA-N 426.886 0.388 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)c1cccc(Cl)c1 914903802 BLTPKXNPSVTXEC-UHFFFAOYSA-N 440.865 0.408 50 20 ICGD CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1115989637 ALJRDHBIDAGUKN-UHFFFAOYSA-N 425.493 0.925 50 20 ICGD O=C(Cn1nc(-c2ccccc2)ccc1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1322470317 ZVZYEEDKBKKITE-UHFFFAOYSA-N 433.472 0.764 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1326949936 UGXXDNHNFMAFSD-AWEZNQCLSA-N 449.533 0.965 50 20 ICGD Cc1cccc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)[nH]c12 1778450705 JDSFXIRZKXKEKE-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1C 1779028403 KZPYTJDWHLLQBW-QFIPXVFZSA-N 438.488 0.454 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1779032837 XQZQUWTUKLZLIN-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cscn1)C2 1779371191 PLXAFPAMMPMRGC-OXQOHEQNSA-N 444.517 0.583 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cnn2c1OCCC2 1781259014 BJEYKVIDYOYXNU-SPYBWZPUSA-N 426.901 0.393 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1783877636 MMBOARYJRFRXTI-QRWLVFNGSA-N 440.928 0.371 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392053 LTAPBZPUKQETAY-ABAIWWIYSA-N 432.344 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784966325 MFVCXUWJDPNFQQ-HSZRJFAPSA-N 444.532 0.828 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287460 ODINRLCRNOEENP-LAIFWZPXSA-N 435.315 0.365 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1F 1792983578 PPFLJDAOOLTVRL-FAXLKDOZSA-N 448.900 0.032 50 20 ICGD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1795350341 WAWDTWLKDDDULA-HBCWATKFSA-N 435.433 0.760 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795741291 SFGNYVBKTVRFES-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190552 LDFVBMHODUUALR-BCDXTJNWSA-N 445.325 0.533 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2[nH]ccc12 1796209241 XOPIRBBJDVQZEO-HBCWATKFSA-N 428.493 0.139 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]ccc1C)C2 1796440826 AFEPKKFBVZXYGH-FJABVQHVSA-N 426.477 0.660 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1796446440 WWPJNYVHSKBPQI-VDMNMRGESA-N 439.875 0.635 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797785821 HZUYSFITOHGNBX-FZKCQIBNSA-N 432.901 0.336 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799147362 FAISTJLQXWGMJR-YPIIOCQESA-N 442.354 0.762 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799180698 IFZBFCKTPXZBKV-BPKGMFCQSA-N 445.402 0.243 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1800606506 OCPFBAQGSGQUMG-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800643229 MYOBXLZEFXLNJQ-IFOZYUSPSA-N 441.326 0.878 50 20 ICGD CC[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1801801394 HIVCUSZJARJLIS-VLEAKVRGSA-N 438.286 0.238 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1802270050 LNQQKLYGIWGUOS-AIEDFZFUSA-N 433.933 0.764 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807261507 XTTBCJASNOTUPJ-GOSISDBHSA-N 438.337 0.744 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807375056 MOZVXFWKSZHIAQ-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCO1 1807754586 YHGWVIMXGFOTGA-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2)C(=O)O 1815082328 WFKFZYVRQCBXPO-AZTOOPQRSA-N 437.291 0.808 50 20 ICGD Cc1nc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)no1 1815872060 BYGQZSPIDZZBMU-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc2n(n1)CCNC2=O 1817117925 OSOFVIDNFBAPMF-KRTXAFLBSA-N 426.861 0.843 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)[nH]n1)c1cccc(B(O)O)c1 1817479827 TZHVTTXGHPABRU-FNHZYXHNSA-N 440.309 0.947 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc2n(n1)CCC2 1819166620 GFJFRDQPLISZNQ-LJQANCHMSA-N 448.292 0.852 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827018335 XMKWYNQYOLCBIA-NRFANRHFSA-N 429.370 0.988 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830358168 RKPSZTBDGAEREY-QGZVFWFLSA-N 429.861 0.653 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)[nH]1 1830534559 BODUOQUVOZJEEU-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831668362 FEJAWFNQBMWOJP-WORIPGKHSA-N 441.488 0.828 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870832 GNYDEKQDXBSDRD-IAGOWNOFSA-N 438.573 0.426 50 20 ICGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cc1O 1833407203 GKVBMDOOZSNWHS-GOSISDBHSA-N 426.546 0.047 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834823354 PQTOOBSARACMPK-PUAOIOHZSA-N 439.372 0.387 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835976134 JJCJYHIQSHXBFD-RHSMWYFYSA-N 435.308 0.247 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837649282 FFVNSMXYEYZSFK-KDOFPFPSSA-N 448.303 0.170 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)nn1 1838350582 ZLIMGEQDWVOJMH-IBGZPJMESA-N 438.557 0.407 50 20 ICGD O=C(C(Cl)Cl)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838405378 SRFXFANXKOOUTA-GOSISDBHSA-N 438.352 0.439 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1C 1838985561 KQEWPQUFDUSSAW-UZLBHIALSA-N 426.897 0.673 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203081 ZBNJJETUJASYER-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1839963520 NFTIVOZYIOZSJD-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033399 CFKOLGLBBQXLBG-DEYYWGMASA-N 433.343 0.799 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1840792127 WBFWOWNGHYWMCQ-IFXJQAMLSA-N 430.860 0.504 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3cc(Cl)ccn23)C1 1843207500 XMDSRPTWDQDWRA-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837932 XBCSFWWMYRRFJQ-UHFFFAOYSA-N 431.631 0.713 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 25404543 HDTMUTNLLQNFOO-UHFFFAOYSA-N 432.389 0.812 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cnnc3)cc2)cc1 725879922 RNHQXPCTNPXGGL-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 727146596 WNZINIJALHGYRD-KBPBESRZSA-N 426.495 0.770 50 20 ICGD CCOc1ccc(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728176865 MNOFVGDLLHVFDE-CQSZACIVSA-N 433.552 0.246 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 728312540 WMTMBIDPHMKXGO-UHFFFAOYSA-N 445.457 0.023 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(F)ccc2NS(C)(=O)=O)n1 728722758 SWHNRNJVGDDULK-UHFFFAOYSA-N 444.466 0.509 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 729530414 BOQQLDHRVUECMX-UHFFFAOYSA-N 430.490 0.450 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C1CC1 729617076 FPXMNRKEVMJSFN-CQSZACIVSA-N 439.538 0.134 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(F)ccc2N2CCOCC2)c2ccccc2c1=O 730767978 VKAPZXLMEZTDRE-UHFFFAOYSA-N 425.420 0.984 50 20 ICGD O=C(NNC(=O)c1cccc2ncccc12)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731826850 MPKGOCHPALGVMG-UHFFFAOYSA-N 435.425 0.721 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732235670 FUOVVIKGDICKSS-CYBMUJFWSA-N 432.474 0.023 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 732575941 MFKYYXZGRJDHCV-CQSZACIVSA-N 449.471 0.900 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 733732070 VUKLDDGXCGFTQL-CQSZACIVSA-N 437.547 0.948 50 20 ICGD N#Cc1ccc([C@@H](NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(N)=O)cc1 734507031 LEIBXKRKECRMEW-GOSISDBHSA-N 427.486 0.804 50 20 ICGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 741416282 OBRMHIKEIBRECV-NDEPHWFRSA-N 444.579 0.962 50 20 ICGD Cc1cc(Br)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1 742028222 DSQHVAUOUDRVSL-ZETCQYMHSA-N 432.343 0.499 50 20 ICGD CCn1c(NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742518790 FYTORFYMIREBBU-JHNDHUHGSA-N 425.445 0.412 50 20 ICGD COCCOc1ncccc1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621472 XUQCPEFNXBSXHW-UHFFFAOYSA-N 436.490 0.885 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1Br 746249543 IWRKPCUPRBDLOS-GFCCVEGCSA-N 427.299 0.629 50 20 ICGD C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 748342419 HGSYFDBKUQGWPN-JOCHJYFZSA-N 437.456 0.377 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 749906692 HGOUENBOEKCFMF-MRXNPFEDSA-N 433.432 0.015 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755039740 STNULFODBYREID-CQSZACIVSA-N 437.522 0.745 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 755531313 DEKQQMKQZADTID-UHFFFAOYSA-N 433.446 0.972 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1C 757438238 VMBFIXZOOFLXGB-SFQUDFHCSA-N 437.518 0.895 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 759897108 MUUMDIMXWAUORI-AVGNSLFASA-N 436.490 0.248 50 20 ICGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 760130961 IQJLGSUERUMAQF-DLBZAZTESA-N 442.538 0.855 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 762362844 ZDOVZPZSIIHQPC-AWEZNQCLSA-N 440.522 0.467 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3ncsc3c2)c1 763718840 OHGBNCXCDDWFRX-UHFFFAOYSA-N 447.498 0.946 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(N(C)C)n1 763718908 RYTATEMXIMWNRI-UHFFFAOYSA-N 448.505 0.106 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1Cl 763823411 BCVHQSSDKUINOR-UHFFFAOYSA-N 425.854 0.298 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763849568 KHZLIYURTTYELD-LBPRGKRZSA-N 433.392 0.931 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)cc1 763860519 IHJSETYPJRARGR-AWEZNQCLSA-N 442.472 0.927 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 763931497 HUGABCJDRJTZHI-UHFFFAOYSA-N 426.404 0.803 50 20 ICGD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764001051 ZPIPLGOMOUQXEB-CABCVRRESA-N 436.534 0.894 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)ccc1C 764108291 GGWMIIPMNNTDCO-UHFFFAOYSA-N 436.494 0.457 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)o1 764138772 JYXXPRBFDRCADJ-UHFFFAOYSA-N 442.476 0.712 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 764276714 AVFHOHHEVMSIPJ-UHFFFAOYSA-N 436.424 0.767 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 765461536 ALTLLMWIJCVZMM-LBPRGKRZSA-N 431.490 0.477 50 20 ICGD O=C(NNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1csc(N2CCOCC2)n1 765632966 IZVXJTWAONTLQI-LBPRGKRZSA-N 437.444 0.969 50 20 ICGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCC1 766064611 SOPNRAFNUUFDRN-GOSISDBHSA-N 436.534 0.927 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)cc1 766647966 HPALBKMCHJXGIJ-UHFFFAOYSA-N 443.508 0.763 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)ccc1OC 767268573 QMGLPGNAMBWREK-UHFFFAOYSA-N 449.485 0.459 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCCN3C(=O)CN(C)C3=O)n[nH]2)cc1OC 768276234 IXXLPCZDWUAECD-UHFFFAOYSA-N 444.448 0.529 50 20 ICGD COC(=O)c1cccc(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 768678825 UGIMKYIDRGFTTP-UHFFFAOYSA-N 433.490 0.953 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1 772630577 LULGHGONMIJPFJ-UHFFFAOYSA-N 440.503 0.750 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc2c(cc1Br)CCC2 773530465 WEGGHOXIGKASSK-LLVKDONJSA-N 444.307 0.458 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 777276727 ZNRGCPZPPLFCIL-SJORKVTESA-N 447.492 0.742 50 20 ICGD COc1cccc(NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)n1 781025455 QLDOOBLPCVAPOG-CQSZACIVSA-N 436.490 0.775 50 20 ICGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 786724126 WGUNQSFIJJZOFL-UHFFFAOYSA-N 431.467 0.652 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)c1ccccc1 787549278 JLGUSLVYPDEBJV-INIZCTEOSA-N 449.533 0.906 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cc(-c2ccccc2)on1 789903572 NZXPOKKUDDVLTH-UHFFFAOYSA-N 426.410 0.947 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)=NN(c2ccccc2)C1=O 794061725 KHYVVRZULYJXBG-AWEZNQCLSA-N 438.444 0.399 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(OC(F)F)cc2)c1 800629836 YDOWHQXTLUJNMB-UHFFFAOYSA-N 435.387 0.846 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N=c2cc[nH]cc2)cc1OCC 802035795 LMYMMNGJIFVNCG-UHFFFAOYSA-N 437.478 0.432 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 808045631 ORBJSUMHTUZBDU-UHFFFAOYSA-N 426.495 0.518 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 810193837 KTIYXEHPWJVNGA-UHFFFAOYSA-N 434.474 0.322 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 814294615 NKKJKGNXXGRRHK-LBPRGKRZSA-N 443.229 0.975 50 20 ICGD COc1cccc(-c2noc([C@H](C)NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)n2)c1 814307407 GXAGEHSLNKLECH-WCQYABFASA-N 426.437 0.991 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H](B(O)O)C1 864232749 CXDHMSPTNDXJFT-FZMZJTMJSA-N 433.133 0.827 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 880155808 YUNRTIOGKPSSPU-UHFFFAOYSA-N 433.222 0.997 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1OC 913415706 RBBPTAJZFSKDPV-UHFFFAOYSA-N 435.458 0.646 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)s1 916232781 LUOMFZHLIPQTBO-UHFFFAOYSA-N 436.313 0.891 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1C 916562994 XUOLMSLPFFANKO-QHCPKHFHSA-N 449.467 0.783 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888444 CUSNFDCXJWHQKV-GJZGRUSLSA-N 443.501 0.311 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C(C)C)[nH]3)CC2)cc1 1319218620 GWELQHDGGAGLQA-UHFFFAOYSA-N 448.549 0.609 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)CC1 1323942979 XFBSVALDUXUOGB-UHFFFAOYSA-N 440.522 0.759 50 20 ICGD Cc1nnc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)nc1O 1338619502 XEBHMGOPOMYRFX-UHFFFAOYSA-N 431.272 0.655 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)o1 1779028252 HWEAUBGLTPHIFX-NRFANRHFSA-N 427.461 0.652 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029537 UFDIYWKHDDUTKV-HXUWFJFHSA-N 439.463 0.810 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779195528 DQJLWSGDPFAFSI-XWESNNAXSA-N 433.933 0.972 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccccc1=O 1779270801 RRGSDEFVYOCXFL-IFIJOSMWSA-N 430.274 0.930 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncoc3C)C2)C1 1779770021 WMYWZBSDPREXQX-IYHCKTHZSA-N 428.449 0.561 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779870038 FLKKXKWEOCPXFO-IBGZPJMESA-N 445.388 0.660 50 20 ICGD O=C(COc1ccc(O)nn1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782677282 XOYORLWRVYHWTJ-UKRRQHHQSA-N 433.234 0.081 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCCC2)C1 1783319770 COECNTPGRJXCGE-XMSQKQJNSA-N 437.585 0.359 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933744 GPPVYBAVQBNIJO-QFIPXVFZSA-N 432.521 0.577 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1783934664 JYPFCTKWWKXTPS-INIZCTEOSA-N 431.331 0.117 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937509 SOEXUDQYYKYRDF-JTSKRJEESA-N 431.537 0.463 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783967270 RFQBUQBDVRTLMJ-XUXIUFHCSA-N 449.415 0.481 50 20 ICGD C[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)NC(=O)OC(C)(C)C 1784091289 YUGANDCYQCMBCS-CWVYHPPDSA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H](F)c1ccccc1 1784902334 PMJKVNRPLYTRLA-ZIBCJSCZSA-N 440.280 0.671 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1ccccc1C(=O)OCCO 1789250181 NWTGVBRXEBGMCT-STECZYCISA-N 442.871 0.963 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292671 CWLXKUFCZCLVQC-MNXVOIDGSA-N 427.299 0.394 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791063208 CWLZQDCHLHBBIF-PEDHHIEDSA-N 437.356 0.327 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792465253 SPTOHWIAGGXQQK-HGTKMLMNSA-N 434.400 0.656 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792981044 PIZHDISAVSCNCK-FAXLKDOZSA-N 435.868 0.243 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)(C)C 1795564954 JLZMXRBFPXWJLK-FJABVQHVSA-N 432.525 0.098 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1Cc2ccccc2CN1 1796191016 OKXKRDPPWULWLP-LRSLUSHPSA-N 433.317 0.333 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796192373 FCLIBMATYKSKGX-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796573751 DQQZVOOLXSWXKC-VLEAKVRGSA-N 438.286 0.238 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C)c1 1798855835 GKABEQBLPLZWKN-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800757102 IGMFEEKICYBWQJ-ZCURGHERSA-N 431.356 0.386 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1ccccc1 1800927909 FDIGAYKLZCAXBG-ZPXGPAEQSA-N 428.533 0.753 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1800977860 ZUTWNWPGFBNKNO-YNVMFWSZSA-N 435.908 0.953 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802004286 HBYGQYJKHRTGOK-XRGAULLZSA-N 443.928 0.687 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccnc3nc1O)C2 1802338073 KAAXBTXYQNBWFU-MUJYYYPQSA-N 440.504 0.960 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364210 SPAGIWXSZROIEJ-RXVVDRJESA-N 430.273 0.790 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)C1 1809972109 BUVUHIFSXFAHBU-KESTWPANSA-N 428.338 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CCc3cnn(C)c3)C2)CC1 1810023362 AQUBSDYUSGPIPZ-UHFFFAOYSA-N 432.569 0.957 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccnn1 1810722457 DEBJNZGABBDLAH-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@@H]2c2cccnc2)c(=O)nc1O 1814038998 KCGQIPUQOIQYFS-NUEKZKHPSA-N 437.859 0.893 50 20 ICGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1815571490 XIXRAGSKPGVSTP-NSHDSACASA-N 435.510 0.362 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819268189 VUNZJSRRXBCDFR-INCQDFKNSA-N 440.570 0.934 50 20 ICGD COC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822623077 GAOHRMZZAOWVOE-CQSZACIVSA-N 444.452 0.070 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826009056 LKQHLKJQDHLFEV-QWRGUYRKSA-N 431.946 0.682 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C1(O)CCC1 1826080662 BJUIERAPQMXRNU-QWHCGFSZSA-N 437.566 0.979 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830268541 KXTHOZVNZLOWBC-XLIONFOSSA-N 446.878 0.954 50 20 ICGD COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n1 1830357657 HZMWUMNEAJBJHQ-HXUWFJFHSA-N 442.944 0.865 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1830362188 NNPYUZBJMBELNF-KKHYBRAUSA-N 427.929 0.543 50 20 ICGD O=C(c1scnc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724947 KFWURLHVMMMLHW-SCLBCKFNSA-N 429.926 0.690 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836623868 ZOMWBCBWXFWWIG-LJQANCHMSA-N 445.988 0.901 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838428227 MVMZRGXLAOPRSV-PBHICJAKSA-N 429.945 0.930 50 20 ICGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197792 INVNWPSDPHCKNN-BBRMVZONSA-N 434.237 0.981 50 20 ICGD O=C(c1cccc2ccncc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839507045 ZYRFOEPLXBBIIE-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD CC(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839849108 HRQWLQXKEPDMCC-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840155290 WEHCPHNTKRQQRZ-WFASDCNBSA-N 439.734 0.624 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841213216 JIGGMAOIXPUZBJ-UHFFFAOYSA-N 432.241 0.604 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1841913403 AIFTYRDFVHJLHL-MRXNPFEDSA-N 433.892 0.866 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1)NC(=O)NCc1ccccc1 1843090543 AIOSNRQOXPYRQV-UHFFFAOYSA-N 439.520 0.433 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1CCCC13CN(C(=O)c1ccc(B(O)O)cc1)C3)CC2 1845925475 CSIKEZSTMXZDLW-LJQANCHMSA-N 448.328 0.997 50 20 ICGD CCOCCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846681613 UWKHOXSKZALZDH-UHFFFAOYSA-N 431.537 0.963 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1847553517 ILYBHIKKARHMND-UNJQHOFTSA-N 443.504 0.912 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)C[C@H]1CO2 1847565790 YDYAEOWFCJJGGG-MOMPZSSISA-N 443.928 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1COc2ccccc2O1 1847753090 DYLOWPUSDSWPIC-IKGGRYGDSA-N 430.505 0.791 50 20 ICGD O=C(NNC(=S)NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 726120068 CANGVHNQGKBYEN-UHFFFAOYSA-N 449.558 0.454 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728179536 QIKABBPSMWOCFF-ZDUSSCGKSA-N 425.536 0.735 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 729275242 MOSKMHCUCOKFQS-WCQYABFASA-N 430.914 0.277 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 730270547 FSTXTXXUCHFRLH-LJQANCHMSA-N 440.566 0.374 50 20 ICGD O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)C(=O)NC1CC1 730519737 XJOMGMSGHHFBFX-LBPRGKRZSA-N 442.259 0.624 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccccc2OC)c1 731492957 NOSYFLFTVCHJOX-UHFFFAOYSA-N 436.490 0.349 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NNC(=O)COCc2ccccc2)CC1 738496542 SFKMXLPJQCKJME-UHFFFAOYSA-N 434.493 0.678 50 20 ICGD CN(CC(=O)NNc1ccccc1S(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738530613 MEQXDCITHIUDBV-UHFFFAOYSA-N 442.475 0.762 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)COCc3ccccc3)CC2=O)c1 746285960 WELMZZNJBRFOTC-OAHLLOKOSA-N 446.485 0.051 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748522402 SMIXBRNLQQJSOS-RFHZTLPTSA-N 447.391 0.586 50 20 ICGD CCc1cc(Br)ccc1NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 753166689 HYBGAYKAOPUUII-UHFFFAOYSA-N 435.282 0.902 50 20 ICGD CCN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 753600550 PQJJBUAIBAASAH-UHFFFAOYSA-N 446.529 0.995 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 755920284 XEOVSSCILJJWPB-UHFFFAOYSA-N 427.465 0.914 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 756784978 RINBSTBXICOAMA-UHFFFAOYSA-N 436.446 0.807 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(N)=O)nn3)CC2)c(C)c1 757403637 DULOBXBRDBEWCQ-UHFFFAOYSA-N 432.506 0.736 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 758039492 LJJMICMNPMIUFB-GFCCVEGCSA-N 444.469 0.182 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 760437049 ABOJKIZJCUWCOC-UHFFFAOYSA-N 445.476 0.121 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc1S(=O)(=O)N1CCCC1 761073276 UAVNHYVRZCAVSZ-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(C)=O 763511920 JVNAMEXMFZLUTD-UHFFFAOYSA-N 439.538 0.813 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 763662871 LGSHJJPLVKXEDJ-UHFFFAOYSA-N 428.445 0.491 50 20 ICGD O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CNC(=O)c1cccnc1 763825008 TXTPVNQDPKXUQD-UHFFFAOYSA-N 426.429 0.783 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763866020 NBSBPPNVCMXSAE-PXAZEXFGSA-N 444.419 0.281 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)c1 764078341 RITJNEWRUKLORP-UHFFFAOYSA-N 439.833 0.872 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1S(=O)(=O)N1CCCC1 764143619 RVGVKGTVYZXSNZ-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 764204039 RKZULTROYPRFBU-AWEZNQCLSA-N 447.492 0.681 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 764399580 KJGMLCNKEPLBSB-NSHDSACASA-N 437.432 0.198 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(I)c1 764399840 MAPUWDWVKOZVKN-SECBINFHSA-N 435.218 0.429 50 20 ICGD CCOc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 765316000 MFEQDVXHZSPWAM-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(C3CCOCC3)c2C)cc1 766322901 ZFOFXSVDAODZBK-UHFFFAOYSA-N 449.533 0.933 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)ccc1F 767366599 SGNGXTCMRDZERT-UHFFFAOYSA-N 437.449 0.589 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H](C)O1 767822683 MYDUYYIHUPLZDZ-HDICACEKSA-N 446.552 0.157 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 768149841 ZYPNQMMZBZUDKW-UHFFFAOYSA-N 445.498 0.111 50 20 ICGD N#Cc1ncn(CC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 769077859 SAVBUOIBIDGHOP-UHFFFAOYSA-N 431.459 0.473 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 770537536 RBJWMIZZNBAAOV-WBVHZDCISA-N 439.944 0.844 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1C 772952247 GSXRDGRKIAJQNH-NSHDSACASA-N 443.913 0.665 50 20 ICGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC(=O)N2C2CC2)c1 776316397 JGOZBXVWRKEDFN-OXQOHEQNSA-N 440.456 0.918 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776317414 SFCQQEPKLNDOJM-UHFFFAOYSA-N 433.446 0.684 50 20 ICGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 778558104 RPGVWEJRORAEIS-UHFFFAOYSA-N 430.460 0.655 50 20 ICGD CCOC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)ccc2s1 784000248 SFKFYBOTAXDETE-UHFFFAOYSA-N 432.458 0.786 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 784005397 YVTMGXNNCBVSML-OAHLLOKOSA-N 446.485 0.822 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784210652 YUSMXCZKVQLFGP-UHFFFAOYSA-N 446.485 0.925 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)cc(Br)c1F 787544376 QYEKMUPSULAUSM-LURJTMIESA-N 440.222 0.248 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 792847787 ATABVKQNIMLOHL-HZPDHXFCSA-N 445.563 0.250 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)nn1 793021352 CNDAEVONHJIBCX-UHFFFAOYSA-N 425.243 0.765 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc(Cl)cc1C(N)=O 793027165 YVGBQEOLZMMDLR-AWEZNQCLSA-N 432.820 0.537 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cnn1C 793410012 DFCJBERBFRHPSW-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2nncn2C1 793448535 UICQMKAVBOKPHG-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794598791 NICSHCJGYQSEGN-UHFFFAOYSA-N 437.430 0.629 50 20 ICGD O=C(NNC(=O)c1cnnn1-c1c(Cl)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 797711571 MWVSNLRXLUKQSD-QMMMGPOBSA-N 433.277 0.705 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 806978845 LWGXKQUHUFUVAE-UHFFFAOYSA-N 427.202 0.651 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1ccc3c(c1)OCCO3)C2 807513745 FHTBPMODWGUPES-HOTGVXAUSA-N 431.493 0.485 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1C 810384920 LETXCDYSAUFLSE-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)CSc2ccccc2O)n1 810390775 ZDVXMPMJQJFGFI-UHFFFAOYSA-N 437.441 0.723 50 20 ICGD CN(NC(=O)c1cn(C2CCOCC2)nn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 811032318 HNMIVHJMRJMIEC-UHFFFAOYSA-N 437.501 0.879 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 811480186 SPIBTARMLQNYLJ-UHFFFAOYSA-N 448.501 0.656 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 817055150 OAHNRTYDCWTUSS-UHFFFAOYSA-N 429.524 0.709 50 20 ICGD Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919883226 BULBTMPVEHPUBS-TZMCWYRMSA-N 428.536 0.573 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 921247455 FFEFJOZLMQYTMS-UHFFFAOYSA-N 436.520 0.793 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032639 PTKCFNVSMRFFRM-QFIPXVFZSA-N 434.456 0.314 50 20 ICGD COc1cc(OC)cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780663498 JYVCLZRDVGBSBQ-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997539 ARYXVZWRXYHHLG-SCFUHWHPSA-N 448.358 0.435 50 20 ICGD Cc1cc(C)n(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782209543 YSTNNDQKVIQXGV-XMSQKQJNSA-N 448.568 0.387 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783349938 WKQTXYZERILEHX-GUYCJALGSA-N 432.315 0.832 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783980917 JTNUTDXTDQPYKF-BXKDBHETSA-N 434.184 0.185 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1784795809 KJLNRQGQZBPDMB-JNNCMOEMSA-N 430.929 0.545 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)(C)C)[C@H]2C1 1786831190 RWAVXQYUEUUUHQ-GZERKGCBSA-N 446.552 0.488 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cc4c3CCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981188 XYFRWKCULZVGFO-VDGAXYAQSA-N 437.305 0.090 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)c3)C[C@@H]21 1787508579 APFQBQSYUZDZEP-QECDCCOMSA-N 440.504 0.752 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21)[C@@H](F)Br 1789926521 BJFVPQOJGQQRNY-QFOLPQNPSA-N 436.307 0.567 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(O)c1OC 1790160572 CQFYYTUWIGSNEV-ZIEJDFEHSA-N 442.896 0.602 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290817 OIURAETYULNIIY-QAETUUGQSA-N 425.530 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1791291018 WQQSROKCJUZHFY-FHWLQOOXSA-N 427.505 0.525 50 20 ICGD Cc1cc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792081376 JOYZLMUHWWEHIC-NDXORKPFSA-N 440.280 0.721 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1792867696 JSVXLQROHDQMKP-VWPFQQQWSA-N 426.311 0.469 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983136 FRPIYTOULNYPDE-NPJQDHAYSA-N 443.928 0.092 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1ON=C(c2ccccc2)O1 1796191512 SDBYTAZTKYGZBH-YWNPBTLJSA-N 449.272 0.353 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)cn1 1796362651 AKVALXKRMXHJLR-NEBZKDRISA-N 433.889 0.364 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl 1796810910 JCJSUVDLVWODFA-ZUDIRPEPSA-N 434.896 0.928 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C2 1796893524 DRCMDQJYLWMMBP-QETPJRQFSA-N 449.533 0.336 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1Cl)C2 1797752768 FSPVWFMAQAPLLZ-QHBPRCKVSA-N 433.852 0.449 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798528972 HZARRWBUBXUXCN-FAXLKDOZSA-N 426.311 0.762 50 20 ICGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)nn1 1798708039 GAFSDPDAVMWMPH-LYIQGSDWSA-N 432.294 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cncc1F 1798931963 GEWBGCZZIHDEES-ZSBIGDGJSA-N 430.415 0.924 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1805290063 XCXSYKHRAPVNHR-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1)[C@H]1SC(=N)NC1=O 1805523606 QGVWXSJFOJSENV-RWMBFGLXSA-N 430.958 0.620 50 20 ICGD Cc1nocc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369688 RWNKQZYWLZSSMP-XLIONFOSSA-N 434.261 0.691 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1808294657 BCPQWGMSTAHCKI-DFHZNHDVSA-N 444.363 0.917 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@H]1c1cccnc1 1813028546 SCGVWILYXPJADB-VKJFTORMSA-N 435.912 0.949 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)[nH]n1)[C@H](O)CCl 1814872970 IHIYAMAJEMHRDR-TZMCWYRMSA-N 445.867 0.718 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819709471 JGNNSULFZXRJGU-YOEHRIQHSA-N 443.334 0.622 50 20 ICGD CN[C@@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)O 1820162983 XBWVJHMKDOWCON-PWSUYJOCSA-N 428.587 0.969 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)n1 1825743746 CQXJEODWERUSTM-KRWDZBQOSA-N 440.508 0.361 50 20 ICGD Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n[nH]1 1827052390 XOOWFOZNIQNHIU-OAQYLSRUSA-N 438.337 0.874 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(N)=O)CC1 1828924081 JNFZACZACACEQX-KRWDZBQOSA-N 430.509 0.184 50 20 ICGD CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537571 KOZZEOMIKJCACI-MAUKXSAKSA-N 434.375 0.862 50 20 ICGD O=C(CCc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737157 DGVDJTORIHXGJX-PXNSSMCTSA-N 428.888 0.814 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752847 YQUUCLXXADSQBV-GPMSIDNRSA-N 446.386 0.958 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832844201 LZFCLALUFAMEFX-LPHOPBHVSA-N 429.876 0.209 50 20 ICGD CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833492776 QTAKNPYCZVPKRI-FQEVSTJZSA-N 441.642 0.885 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ncc(Cl)cn1 1834055819 RFJQTHDYJLRGNO-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD Cn1cccc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834098171 CZOWAWZTUREGDT-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1836169675 MKVBAHCOYBDPOF-UHFFFAOYSA-N 449.320 0.065 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)c1 1836193835 ZEAGXAJEEATMEH-CRAIPNDOSA-N 443.342 0.679 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1837270858 BELJDGGTFJZVGX-OAHLLOKOSA-N 428.917 0.992 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c(O)n1 1838674586 MSDAIJHDMUJXDA-FZKQIMNGSA-N 442.310 0.949 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1C 1839200296 ICVCMMXASZJSKO-YOEHRIQHSA-N 447.305 0.972 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840037210 WQEYLKAXBWJREK-FZKQIMNGSA-N 442.310 0.448 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149575 SYAUECTWOWARDE-JXFKEZNVSA-N 441.912 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840155798 ICQDEULKKHZAGY-JXFKEZNVSA-N 426.897 0.645 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840325625 JPVJEZLSFQGEIA-GOEBONIOSA-N 433.278 0.489 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1841924425 LCAQCJOMGIJMKN-AWEZNQCLSA-N 442.944 0.944 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(C(F)(F)F)ccn2)C1 1844510576 VHUWFIYOASIGGW-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2csc(C(F)(F)F)n2)C1 1844549225 NHUBRUDCMNWEFZ-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)n1 36800143 HUUMPWPZVDHOFL-UHFFFAOYSA-N 444.561 0.075 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 730274190 GLOIMGJLCNTZNA-UHFFFAOYSA-N 429.458 0.953 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 731848726 MWVHFXKSBIJBLM-INIZCTEOSA-N 431.603 0.695 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 732084326 ZOBOKVCVJXGADF-UHFFFAOYSA-N 427.870 0.467 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H](C)O1 732261419 MUWFHGAMMJPXMI-VXGBXAGGSA-N 432.930 0.972 50 20 ICGD O=C(NNC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 732755943 ZIWACSHBVKQOBS-QMMMGPOBSA-N 444.413 0.079 50 20 ICGD CN(C)C(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 740373901 QTFWNXLOEUEBQT-KRWDZBQOSA-N 442.428 0.924 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746642430 YBXFGWCRILXHFL-UHFFFAOYSA-N 431.474 0.263 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(-c3cccc(C)c3)nn2)cc1 751291207 QRYYPNZFWRVPNM-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD Cc1nc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)sc1C 754084596 MPRQUTUYCOEXTM-UHFFFAOYSA-N 427.494 0.912 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755048831 GSXRJEXDAQMQOG-KGLIPLIRSA-N 445.501 0.855 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c[nH]nc2-c2c(F)cccc2F)c(=O)n(C)c1=O 755618778 CQCHOMOAFXQKRY-UHFFFAOYSA-N 435.416 0.390 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1-n1cnnn1 755678546 JTQZUMOZTWJUCV-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD C[C@@]1(c2cccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)c2)NC(=O)NC1=O 756222105 AAXVUXBPBISNSZ-NRFANRHFSA-N 435.396 0.231 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1 756758204 GFNCXJIJMNVVIB-UHFFFAOYSA-N 435.441 0.923 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)C[C@@H](C)O1 757720159 GEUXNAOAJPUYAG-FPCVCCKLSA-N 437.541 0.380 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 763573377 ZYGDRGKETHTEQA-KRWDZBQOSA-N 433.392 0.777 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1 763662272 WVELNKBPKWPZMS-UHFFFAOYSA-N 443.460 0.400 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)n1 763892679 HHUCIUQNUMJYHF-UHFFFAOYSA-N 435.444 0.933 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)CC1 763980300 PSNFMSQAYRKASS-UHFFFAOYSA-N 433.490 0.835 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Sc2ccncc2)cc1 764002687 QGHBXWHLNUEFHM-GFCCVEGCSA-N 434.499 0.753 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cc1-n1cnnn1 764004348 DQKIAQLLRMRUAK-UHFFFAOYSA-N 447.253 0.471 50 20 ICGD O=C(NNC(=O)c1cccc(Br)c1)C(=O)Nc1cnn(-c2ncccn2)c1 764063840 YVXYSGRDXRWIDQ-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 764213448 XIVVTZBEBPQSBJ-UHFFFAOYSA-N 428.371 0.478 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 764277861 JEJRSRDMSHKPLK-UHFFFAOYSA-N 444.835 0.850 50 20 ICGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764334271 BODBGCYSVSTUGS-UHFFFAOYSA-N 444.897 0.247 50 20 ICGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 764345844 YRZXTBDYGQCXGH-OAHLLOKOSA-N 428.468 0.309 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1[N+](=O)[O-] 764431266 APLHPURYWFFUEE-LLVKDONJSA-N 431.199 0.167 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NCC(C)C)CC2)cc1 764515431 PQXUVGWWASQIMN-UHFFFAOYSA-N 427.596 0.453 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 764516873 WIXYFISAAIGEKF-UHFFFAOYSA-N 428.518 0.866 50 20 ICGD Cn1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cnc1Cl 765015863 RCOAWPKHRUEUIX-UHFFFAOYSA-N 447.926 0.481 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 765391868 XTJDWIYIENEEED-UHFFFAOYSA-N 428.467 0.202 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 766932036 PKSDELDRSWXJPJ-ZDUSSCGKSA-N 431.474 0.128 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 768610324 CPUUPFNKGDAWNB-UHFFFAOYSA-N 448.413 0.746 50 20 ICGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 770253741 WCJJZOGWMQOQHK-UHFFFAOYSA-N 432.930 0.085 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@H]1c1cccnc1 772883491 BASUWMRJZUJHCD-DOTOQJQBSA-N 429.864 0.718 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 773497703 YZFIHXBHADTYAD-UHFFFAOYSA-N 427.202 0.651 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782893430 IEPLTYNIDDINTB-UHFFFAOYSA-N 425.445 0.927 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NN=c2cc[nH]cc2)c1 783379111 VCAFPTVPURFPLM-UHFFFAOYSA-N 434.522 0.682 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2nc3ccccc3s2)n1 793030678 HYGNJBVNUQPZSM-GFCCVEGCSA-N 430.446 0.292 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCc2nncn2C1 793452022 WKRBJVLNILLCIO-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794061818 MMWMZEUGHCAQPU-UHFFFAOYSA-N 444.469 0.286 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N=c1cc[nH]cc1 802027717 UDPNFFDXJWCDMR-CQSZACIVSA-N 441.510 0.896 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2ncccc2F)cc1S(=O)(=O)N(C)C 807301073 TYMHQECIVHKEKY-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 808045618 OGQGXSURIHDOAF-LSDHHAIUSA-N 427.498 0.905 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)nn1-c1ccccc1Cl 815692111 JLRYMOXKXHENNM-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)sc(C)c1C 815692978 IBEKPFVCBPESNG-LLVKDONJSA-N 434.478 0.482 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 815752280 LVAXRNHTBRHERT-UHFFFAOYSA-N 431.474 0.755 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)ccc1Cl 916829397 PKTUMWIXZMTSMY-UHFFFAOYSA-N 438.893 0.959 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 917391728 DWQNDSDGKNZUDD-UHFFFAOYSA-N 445.567 0.255 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 917720243 UMMFGLSHVXQZTQ-UHFFFAOYSA-N 439.471 0.231 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 919350211 OQNLBYBYPCANCG-OAHLLOKOSA-N 434.518 0.633 50 20 ICGD O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919886476 UFGJAIFJNYLHRN-MSOLQXFVSA-N 444.513 0.545 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(=O)n3c(nc2c1)CCC3 920473124 IHKWPSLMLIROJK-UHFFFAOYSA-N 440.485 0.711 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@@H](C)O1 920737178 AXIRCYSGRXVFPJ-OKILXGFUSA-N 446.957 0.655 50 20 ICGD COc1ccc(C=NNC(=O)c2sc(N3CCOCC3)nc2C)cc1OCC(N)=O 1318442580 SGRASEOODCJIPZ-UHFFFAOYSA-N 433.490 0.925 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 1324133173 JVJNWEPZSHKCTR-CYBMUJFWSA-N 434.559 0.745 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781733666 KHEGJXNMUWOKHZ-GHTZIAJQSA-N 437.924 0.566 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1782001204 BAHRUENMAQKKFM-UYAYXHRUSA-N 430.343 0.810 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1782316505 HGGGKAJSYLUQOB-XQAQDONZSA-N 446.273 0.116 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782565700 XDNLESPBFPSMCY-JXFKEZNVSA-N 439.944 0.416 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664027 HJOQMCMXGRHSBD-GUYCJALGSA-N 427.299 0.247 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782724441 IEMARIKIDBMZKS-GOSISDBHSA-N 428.436 0.574 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)no1 1783533869 AKMSSSNROGEJGQ-YVEFUNNKSA-N 443.298 0.925 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CCC1=O 1789921274 DWNQIEORMGKIKY-JYYRZZBQSA-N 433.278 0.265 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792217851 RPGLHIVELLOURZ-IJDQCGTQSA-N 440.880 0.396 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371771 URYWSQGGTBJWRG-OFTGVCEQSA-N 425.345 0.040 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)C1 1796368243 GXVKZIRWKDBSEO-IMDDZUEWSA-N 449.907 0.482 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403779 UGTFMUUXNKMSRG-CHWFTXMASA-N 430.259 0.552 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C 1796607727 IKUUGKBKAGYFHD-LVTGYEAHSA-N 427.465 0.055 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797151853 KSUYBJPKTRJHFR-YPDSRZJSSA-N 447.444 0.494 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc2ncnn2c1 1797559714 BKQKKQATDZCCPF-ZMJPVWNMSA-N 426.246 0.623 50 20 ICGD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCCCC1 1797754451 YBGSVKHFSFXOAO-JLVBRIDZSA-N 429.521 0.859 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1800977543 ATEMIMZWNOAZED-ZWUHOBOKSA-N 426.857 0.755 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncncc3c1)C2 1801011578 OQQSCYXCPOIGEE-UPHUGPLXSA-N 440.504 0.206 50 20 ICGD CSc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801012244 PJBZDUHOFMXJSZ-FAQVEIGNSA-N 448.589 0.914 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1802902269 KELZGPURMPRYKY-PKOBYXMFSA-N 440.972 0.639 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806131217 UVNGTCASVCVFQI-AWEZNQCLSA-N 430.509 0.041 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2CCOCC2)[C@@H]1c1cccnc1 1806701711 HXIOKLDYULTBQX-RXVVDRJESA-N 431.537 0.887 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1806911079 FRTFMQWZZNMBRS-NLWGTHIKSA-N 437.972 0.325 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1807361658 JCSHGUFCRKJFBC-NSGGIEJNSA-N 437.305 0.649 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365358 ODKZJMKQTXHZMY-TYPHKJRUSA-N 437.305 0.650 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808246755 OYIDIZBHKYFKCP-DYESRHJHSA-N 433.277 0.047 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977244 BQCZZDGKEYSVBR-IBGZPJMESA-N 429.326 0.126 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1810096374 UJKPDVKGECPQHF-YWPYICTPSA-N 433.292 0.956 50 20 ICGD CCO/C=C/C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304483 DPEGMDYOAONMJX-FPUBDHESSA-N 438.488 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1 1813074549 UIOZHGDQJHTNAO-BBTUJRGHSA-N 431.537 0.887 50 20 ICGD O=C(CCN1CCCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347510 AZYKGXOLQOUISE-INIZCTEOSA-N 442.350 0.535 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827698388 ZZIPTNDQUXBPGT-LPHOPBHVSA-N 437.585 0.846 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1830957552 CEQJHIOZAKACEM-RDTXWAMCSA-N 443.342 0.511 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831645750 DHJCVLGQVGJRGY-DNVCBOLYSA-N 431.917 0.693 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1831655391 XZZLVEUMLPBDSL-IFXJQAMLSA-N 428.917 0.906 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1831830888 JQVCTSCNWPXVTR-ZWOKBUDYSA-N 431.961 0.511 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833489539 ZJXGBZLXVYUYMI-LJQANCHMSA-N 440.884 0.510 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1833864736 OJMGZSODEPXLJS-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n(C)n1 1833955474 GITYZYZDWVOHHQ-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834763512 MNADKMUZAIKKMZ-HXUWFJFHSA-N 446.416 0.504 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819416 QMOXEMIWAQXJDY-KRWDZBQOSA-N 443.298 0.340 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301386 MBAFHTBAWPOPIE-ZSZQSSIHSA-N 441.322 0.960 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n[nH]1 1836282270 LGIAMHFROGJEFH-SJCJKPOMSA-N 429.315 0.826 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836397259 WSOUJKMQHWZEJN-FXAWDEMLSA-N 430.977 0.226 50 20 ICGD O=C(CCN1CCOC1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717156 KQJFLANPUMAEJT-INIZCTEOSA-N 431.917 0.427 50 20 ICGD O=C(CCN1CCOC1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717157 KQJFLANPUMAEJT-MRXNPFEDSA-N 431.917 0.427 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839962889 UQYOPHHTBKSVJU-MPGHIAIKSA-N 432.359 0.711 50 20 ICGD O=C(CN1CCSCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187091 KAEBOZXTQFTODT-MRXNPFEDSA-N 426.366 0.295 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840401356 VYWBNJRQPHIULM-QAPCUYQASA-N 431.942 0.704 50 20 ICGD O=C(CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)Nc1ccccc1 1847539640 XSJGIJWPBWOIMF-SFTDATJTSA-N 449.316 0.991 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847994649 GVOUKXKVVBJCFP-PMACEKPBSA-N 437.261 0.723 50 20 ICGD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)[C@@H]1CCS(=O)(=O)C1 10213936 UAYCJLYFMHWAHX-LLVKDONJSA-N 438.531 0.309 50 20 ICGD O=C(NNC(=O)c1ccc2nccn2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 728455178 FGZQOZAKIKZWGA-UHFFFAOYSA-N 429.458 0.430 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 728828640 UFCZSDKSHYKKIO-UHFFFAOYSA-N 444.469 0.663 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)[nH]c(C(C)=O)c1C 728847682 KWGJMYGRZNVSDA-UHFFFAOYSA-N 442.476 0.709 50 20 ICGD COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729276121 XISHWNBSQHHHPY-GFCCVEGCSA-N 434.474 0.646 50 20 ICGD Cc1ccc(-n2nc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c3c2CCC3)c(F)c1 730534074 KGVRZWVVGWJQMH-GFCCVEGCSA-N 435.481 0.940 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 731865709 SGHNCKHWAQEIFW-LLVKDONJSA-N 443.298 0.396 50 20 ICGD Cc1sc2ncn(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c(=O)c2c1C 734240231 LPLCRCJHJBUPFK-UHFFFAOYSA-N 438.510 0.930 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741207576 GXUNILKKWMSHBY-UHFFFAOYSA-N 430.465 0.483 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)cc1 742450377 AXKUJLYVRAMAAF-UHFFFAOYSA-N 439.457 0.838 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 743829498 RWIHABPCBZJYMY-UHFFFAOYSA-N 432.505 0.194 50 20 ICGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C2=S=c3nc(C)cc(C)c3=C2N)cc1 744781196 RSOPWCKCFHXSGL-UHFFFAOYSA-N 431.543 0.384 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 745992694 ILDARLRLGTXJTH-UHFFFAOYSA-N 432.449 0.439 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 748039583 QRZGUFYTKZQZKX-UHFFFAOYSA-N 435.554 0.640 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2(S(=O)(=O)c3ccccc3)CC2)cc1 748134623 AQIONWKUZRSAKS-UHFFFAOYSA-N 427.438 0.869 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCOCC1 755549751 UKVVEWLJKVQTEU-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 755961883 UGGYWTSKDGWIAJ-MCIONIFRSA-N 427.527 0.386 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 756545389 YQPIFIKRPSMFNN-NSHDSACASA-N 434.540 0.490 50 20 ICGD Cc1nc(-c2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)n[nH]1 757074721 GEKRRIJVQLGNJK-QGZVFWFLSA-N 437.412 0.924 50 20 ICGD Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc21 758511960 FREYAXJEQPWRRL-UHFFFAOYSA-N 431.312 0.166 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc2c(s1)CCC2 763014385 VOXPIPSHYSQIHM-JTQLQIEISA-N 436.515 0.464 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 764154813 VBQHBGMSMVQWJC-LJQANCHMSA-N 432.436 0.986 50 20 ICGD Cc1ccc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764226862 KTBOFAQAOZEZHY-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764277584 JVMOCOSJWXZKFD-AWEZNQCLSA-N 428.445 0.782 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1S(=O)(=O)N(C)C 764280881 HHYMDQNJMPJTAB-UHFFFAOYSA-N 448.501 0.670 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc1NS(C)(=O)=O 764405552 VAZAPWKXJDLRTQ-UHFFFAOYSA-N 434.474 0.704 50 20 ICGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766667844 DKYWIBLLBQSRNV-UHFFFAOYSA-N 430.958 0.428 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767853713 WIZSVYFKUDEHTE-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1 776313002 VQJIQWVGDGRWQE-GFCCVEGCSA-N 436.412 0.251 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 782830062 DPOCWZXNVYYXHG-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD COCCn1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 784445412 KSQBXSWLWWEQIY-UHFFFAOYSA-N 434.928 0.762 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 785225173 FTJSCAIAWGEPSE-UHFFFAOYSA-N 435.510 0.655 50 20 ICGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 785234616 NNZVZHXXLMQJRC-STQMWFEESA-N 448.455 0.748 50 20 ICGD CN(NS(=O)(=O)c1ncn(C)c1Cl)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788916602 QYCUGKJPBJKQHA-UHFFFAOYSA-N 436.922 0.871 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 789939330 KYSFYYXZNHHWDB-FQEVSTJZSA-N 448.476 0.471 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 790337359 HFQTUDUKCDSNON-QMMMGPOBSA-N 427.888 0.037 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1CCS(=O)(=O)CC1 793031718 MOLPCRHMWZFWNS-UHFFFAOYSA-N 426.495 0.458 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cnc1C 793430322 KKUWPUSFWCEGPG-UHFFFAOYSA-N 436.446 0.413 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cc(-c2ccccc2)[nH]n1 794762154 ITSLQFNBVXTOTM-UHFFFAOYSA-N 439.457 0.693 50 20 ICGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 794860110 DEAXTEJIWVSHIR-QMMMGPOBSA-N 425.872 0.026 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc(Br)cc1[N+](=O)[O-] 797534974 IRUJJPKTRMDOIV-LLVKDONJSA-N 431.199 0.167 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 797653675 HCUNYLBMFOXCDL-OAHLLOKOSA-N 435.462 0.592 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 804954142 HDJNEYCLZDIJPJ-UHFFFAOYSA-N 447.452 0.579 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)C1=O 807241999 OILFTIIJNUXRAH-UXHICEINSA-N 449.533 0.793 50 20 ICGD CCCN1CCC[C@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 807549583 DPJAUEAEICSGJT-INIZCTEOSA-N 425.555 0.820 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1F 810385429 RWAXVZHEVCPVEN-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnn(-c4ccccn4)c3N)CC2)cc1 815827317 UUUNXFZBDUGVDO-UHFFFAOYSA-N 448.531 0.737 50 20 ICGD CN(C)S(=O)(=O)NCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 816814941 HVRUNYPQWQBJIL-UHFFFAOYSA-N 442.501 0.696 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccccc2OC)cc1 825649607 YSFHMIJWPNVLLQ-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD CN(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1 914781357 AFDGKQIMUHFPKE-UHFFFAOYSA-N 439.519 0.061 50 20 ICGD O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1ccccc1 919184845 XDRZEKLTQYTKPE-SJLPKXTDSA-N 443.431 0.334 50 20 ICGD C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884724 KSSFPDZWFWCYDQ-ZWNOBZJWSA-N 432.499 0.403 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1CN1C(=O)CNC1=O 920932596 RCZUSNWPGYQNNL-INIZCTEOSA-N 425.401 0.731 50 20 ICGD Nc1cnnc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1Cl 1116304990 RDHRSUNMLJJKKB-UHFFFAOYSA-N 430.849 0.629 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 1338721967 WEHRMZHENHLUTG-CYBMUJFWSA-N 428.470 0.969 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778511721 NXXPLKLKKIZDKO-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374658 AWIZBGRVAQPUNA-XMSQKQJNSA-N 446.552 0.153 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779454955 WCDRIAJAEKVSAW-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1782159676 DLKIHRNSDMDOJC-XLIONFOSSA-N 433.896 0.619 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783811842 YYXDOZBSQNTFMQ-DNVFCKCGSA-N 428.533 0.993 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1784364439 SMYBWKDWJGZRKQ-MRLBHPIUSA-N 432.359 0.912 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1784923107 XVLBRYLOOSBEKX-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cnc1C 1785512386 VYBSWRGTOMSMGM-WDSOQIARSA-N 431.537 0.665 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1785718027 MSFSPOGHJNUDRG-OXJNMPFZSA-N 440.880 0.282 50 20 ICGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1786535685 HERFZYCEMJAPMZ-UFYCRDLUSA-N 430.549 0.890 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748740 ONMAZFUVXYARKN-VGWMRTNUSA-N 432.359 0.472 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)Nc3cc(C)on3)[C@H]2C1 1787493338 WSUJWVWWEJEHQQ-XQLPTFJDSA-N 442.900 0.545 50 20 ICGD CS(=O)(=O)CC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140701 LHSABAQCTCIYDQ-UHFFFAOYSA-N 430.291 0.159 50 20 ICGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CC1 1790722160 CIMYQKZPARNRAU-CYDGBPFRSA-N 435.290 1.000 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)(Cl)Cl)[C@H]2C1 1790915979 BKVRLEDMGOSNIV-SRVKXCTJSA-N 443.759 0.709 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(C)(C)C)n3)C[C@@H]21 1791288602 LGUXULMRHHAYPN-BQFCYCMXSA-N 448.568 0.604 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792130551 OKRLBMJOPUMFMU-VGWMRTNUSA-N 440.928 0.645 50 20 ICGD CC[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1792978470 DDDINPDLUFPNJJ-JRBZFYFNSA-N 447.960 0.869 50 20 ICGD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1793432897 AFENSCGVJGANHZ-BJAFJBCVSA-N 446.454 0.973 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794951547 TZKPCFFFPRUTKI-NWJSVONSSA-N 427.299 0.862 50 20 ICGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc(C)n1 1795734329 MWUXPNGOXODSOF-RMFSNUHRSA-N 437.305 0.149 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccs1 1795737142 WZLXSWGOMWUGEZ-JNNRSPCRSA-N 428.319 0.435 50 20 ICGD C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795958879 WDYXCRKEMAVOSE-KANFNMMFSA-N 430.553 0.566 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1[nH]cnc1-c1cccnc1 1796188691 JDRVKIDIKUVDHM-REPLKXPHSA-N 445.288 0.717 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2cc[nH]c12 1797091460 VVTNAICLNHHAKR-XEMDLRDOSA-N 433.273 0.365 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798611931 RFODJYJZQMPWJQ-WPPMCKGSSA-N 428.493 0.449 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(B(O)O)c1 1800522582 VWFLYBJTYGMPMJ-BCDXTJNWSA-N 441.224 0.979 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1800756523 NQRTUMMIJGFAFU-NRWUCQMLSA-N 429.340 0.942 50 20 ICGD CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCO1 1807362306 GBQWNXJGRJNGNU-RXVVDRJESA-N 435.289 0.775 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccncn2)[C@H]1c1cccnc1 1808513468 XFVAFUMQJMHJAT-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1 1813070369 IDDDOUSYVMPXJA-UZLBHIALSA-N 425.493 0.564 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cnn1C 1813071627 VOBNSSKQPINVTD-UWJYYQICSA-N 441.536 0.816 50 20 ICGD Cc1cnoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343742 MKGCRGMXZAUIOG-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360317 FRFHBYWMGUKYPA-CYBMUJFWSA-N 425.279 0.394 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(=O)cco1 1816650203 HLDCSGOIHXCERB-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1)c1ccc(B(O)O)cc1 1817472504 NEDZLRBWQBYNHU-KRWDZBQOSA-N 439.237 0.190 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476533 WGNPVASZVDDLRH-DYVFJYSZSA-N 439.281 0.086 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=COCC1)CC2 1819800860 BEESPOZNEVVRNP-NSHDSACASA-N 428.474 0.672 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H]1CCCOC1 1823464751 GUBWMESBAZVBQB-YJBOKZPZSA-N 426.282 0.822 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=COCC3)sc2C1 1827238011 DWOYZENLOVFUED-LLVKDONJSA-N 428.474 0.672 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827688255 WECJIESMZKYJSB-IERDGZPVSA-N 443.353 0.467 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1 1828186580 XZRIOQZUWZMTTH-RYUDHWBXSA-N 444.517 0.794 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1830366224 LIFRPEALFJLNST-KSSFIOAISA-N 436.958 0.285 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731050 HGNBWRKWPIUYOI-GUYCJALGSA-N 428.898 0.294 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831955309 HFTJUKUQSKFIAI-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD CNc1nsnc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306514 UXZYDTVJBSQBMZ-ZDUSSCGKSA-N 430.962 0.365 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ccncc34)CC2)CC1)[C@H](O)CCl 1833310067 HKZNHEHEZINIHK-GOSISDBHSA-N 434.928 0.514 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833586316 VGMCPYCOJKAWGQ-GOSISDBHSA-N 438.956 0.824 50 20 ICGD CC(=O)C(=O)N1CCC(OC2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1837624819 WXUKGOQSWKUXMT-OEAKJJBVSA-N 431.493 0.708 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1837711610 LSLBSOIZNTVOOG-QUCCMNQESA-N 436.585 0.389 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1837956161 JVAXHYXSFDIVLL-WMLDXEAASA-N 446.273 0.851 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c1Cl 1838311328 RTLGDIMHHXONDB-OAHLLOKOSA-N 425.700 0.947 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838894512 XCWBZRDLRXEMSA-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838938584 BQNWIABOOYDIPR-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197908 LWZSIRCFQRPWLD-BLLLJJGKSA-N 447.261 0.246 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839964488 SRQDTYPFUBIBOP-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1839967447 MKYYECSKAKWTOE-KEYYUXOJSA-N 444.330 0.469 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840150490 MVLCYPZVYLEMCU-ACJLOTCBSA-N 446.863 0.106 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1840156009 HCCJEDIQZZTVGL-KNBMTAEXSA-N 441.912 0.559 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840604942 GKLAFCFZPKEENL-JOCHJYFZSA-N 436.553 0.396 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648694 YVLLFYMKTUONOJ-UZLBHIALSA-N 439.896 0.109 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Br)C2)c1 1845216526 UTCGKJKCKDSDGX-LBPRGKRZSA-N 434.287 0.993 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847559138 KDIHLSSHIGHDOJ-YHUYYLMFSA-N 445.944 0.814 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560498 ZSTXIJIQUHEFQH-ZQDZILKHSA-N 429.901 0.366 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)Cn1cccn1 1848267068 RFTJTWXYIJQSCU-LNKDADCISA-N 425.493 0.855 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1=O 16364889 QQKBQYWDWWZULF-UHFFFAOYSA-N 438.440 0.496 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(Br)cc1Cl)c(=O)n2C 729275738 SRSSPUJSDOXXOU-UHFFFAOYSA-N 441.673 0.993 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)cc1 729298481 IOWLIAZNZKAPET-CYBMUJFWSA-N 446.485 0.796 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)c1 729416938 GHENNNIYVFXMPR-CHHVJCJISA-N 440.485 0.775 50 20 ICGD CC(=NNC(=O)NCC(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816192 HAQUQZJTQQNUIM-UHFFFAOYSA-N 430.430 0.998 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 730778025 IETMZBVDFYLZJL-OAQYLSRUSA-N 426.429 0.694 50 20 ICGD CCCc1[nH]nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] 731675369 RPSRKMYJXHKZOH-UHFFFAOYSA-N 438.466 0.661 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)C1CCC1 732144251 PXRHHKULDKGIJT-UHFFFAOYSA-N 436.490 0.717 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(=O)n(C)c1=O 735040264 QXRZCGSBVSFEDU-HXUWFJFHSA-N 447.495 0.472 50 20 ICGD CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 741416281 OBRMHIKEIBRECV-MUUNZHRXSA-N 444.579 0.962 50 20 ICGD C[C@@H]1CCC2=S=C(C(=O)NNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C=C2C1 742480373 OUQMKXCRKCCIEC-LLVKDONJSA-N 435.527 0.545 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc2c(c1)OCCO2 747437396 JFLMPNGHOQXDSU-UHFFFAOYSA-N 426.476 0.442 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 749447769 FYDPAVHUBVEKPV-KRWDZBQOSA-N 436.468 0.753 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753967115 MNGUKBXUEMUQAN-UHFFFAOYSA-N 441.466 0.261 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C1 757403238 YSWQVYDIZCPYBW-STQMWFEESA-N 432.506 0.999 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 758045523 OUEUWPHQTHRBMO-MELADBBJSA-N 434.559 0.935 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc2c1OCC2 758149597 AFQOGFOHWJAJAS-UHFFFAOYSA-N 434.312 0.998 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(OC)c1OC 763807658 DYNSMMKVOFVIAN-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1 763808534 CKNPRZXZFVRRBM-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)NC(C)=O 763819206 UULCTJGAFZSMGZ-KRWDZBQOSA-N 427.461 0.625 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2Cl)CCN1 764168943 JPWICNNETCPKRI-UHFFFAOYSA-N 433.852 0.588 50 20 ICGD COc1cc(CNC(=O)NNC(=O)CSc2ccccc2O)ccc1OCC(N)=O 764352232 SOSCKOTVZAJNEP-UHFFFAOYSA-N 434.474 0.888 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cccc1C(=O)Nc1ccccc1 764427858 DBHNDFSRPNQYAA-KRWDZBQOSA-N 426.429 0.749 50 20 ICGD COc1nccnc1NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 764460109 IWBPSQGBRRYFRG-UHFFFAOYSA-N 437.478 0.848 50 20 ICGD CNc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 765522332 NEEMYMUKHMCPMX-OAHLLOKOSA-N 430.373 0.781 50 20 ICGD COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 773958472 DBVFILPAURVECH-UKRRQHHQSA-N 429.901 0.455 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 775460806 LOUKHYNCESDILM-OALUTQOASA-N 446.552 0.165 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ncc(C)s2)cc1 782120048 DVZNEMQFBKNGPJ-UHFFFAOYSA-N 425.492 0.167 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(Br)cn2)cc1 784340354 XFYBGUSSVRGONO-UHFFFAOYSA-N 428.268 0.834 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccc(F)cc3)c2)CCN1 784781381 FBDWDRQRPDBDTG-UHFFFAOYSA-N 435.437 0.028 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 786417174 NVPCEVJDWIGFME-UHFFFAOYSA-N 425.348 0.355 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@H]1CCS(=O)(=O)C1 788046601 JUQBZPZLLGGZCH-LURJTMIESA-N 449.707 0.986 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)cc2C1=O 789809921 GYNOIZNAUIKQPD-HKUYNNGSSA-N 436.468 0.973 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 790966093 YJZDCMYTGZEASK-BXWFABGCSA-N 441.488 0.973 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCc2ccco2)(S(C)(=O)=O)CC1 795588631 XPZOBMPZWNLKCM-UHFFFAOYSA-N 444.510 0.924 50 20 ICGD CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368535 CYGUNALIWJHWMP-UHFFFAOYSA-N 441.444 0.966 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1Br)N[C@H]1CCS(=O)(=O)C1 797429018 ICSGIEDCFGWDKT-QMMMGPOBSA-N 446.732 0.782 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1OC 800725837 HHSRDVLTBYOWKV-LBPRGKRZSA-N 448.501 0.563 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 808934779 AHKFIRCAEJMZPQ-NSHDSACASA-N 425.392 0.596 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 810970466 KSPXLMQFBXESPQ-UHFFFAOYSA-N 442.494 0.230 50 20 ICGD N#Cc1ccc(O[C@@H]2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)nc1 814271020 UJLXDUFCGYPCKP-CQSZACIVSA-N 443.489 0.754 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cn2cc(C(N)=O)c3ccccc32)c2ccccc2c1=O 917387535 ZQDLLBJTNULYLN-UHFFFAOYSA-N 432.440 0.931 50 20 ICGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 918778904 UXNUKTBTRDTNSO-MRVPVSSYSA-N 425.330 0.879 50 20 ICGD CN1CC(=O)N(CCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 921232764 MEZGNZILGNDDNH-UHFFFAOYSA-N 430.509 0.020 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778020587 SIYINUXDPSCIMB-WHWRDJHUSA-N 428.873 0.269 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630282 CIMHGKAZMYZSED-LJQANCHMSA-N 434.522 0.212 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781780334 UEHOIDSTIJMOBI-KYZVSKTDSA-N 430.343 0.810 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1782056781 HIQZPRPRKLEQCM-QHCPKHFHSA-N 448.483 0.623 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783262891 PZHYOQOZLDTRIN-HNNXBMFYSA-N 435.500 0.180 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(=O)c2ccccc2o1 1783822888 OTUDLXXJBGDQSW-SJMGXHDFSA-N 434.876 0.986 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1783880741 KMKOSGABVVKQLW-MAUKXSAKSA-N 427.841 0.998 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978813 YWLJLJLDDSUSBR-FZCLSBEQSA-N 436.264 0.395 50 20 ICGD COc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981068 OKNCGOBDXYDQBC-LRQRDZAKSA-N 438.289 0.282 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1787514472 BFFZPULBYCRTTR-OSZUESSQSA-N 432.359 0.864 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610611 LCPJXMGRQZFDLJ-SNRMKQJTSA-N 438.488 0.296 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(=O)Nc1cccnc1 1788716075 XDLSHLMGSVQION-DOERSZECSA-N 443.273 0.690 50 20 ICGD C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790878140 FCXDJWGFGLIJEP-RCBQFDQVSA-N 437.447 0.490 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CCSCC1 1792288269 JCWMSWCRBDTULG-WDSOQIARSA-N 432.351 0.103 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978518 FEHACJZJODIYNF-VKPHEEHNSA-N 441.887 0.133 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)nc1)C2)[C@H](O)CCl 1792978637 KIPTUDUNZVLNDW-OQMKEHIESA-N 446.729 0.576 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1795112445 FDDPCVPBHIKPTO-DRXBFXEBSA-N 428.283 0.384 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)N1 1796811032 GRLREISKGUHMPR-WBWNACRCSA-N 446.932 0.339 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnsc1C1CC1)c1cccc(B(O)O)c1 1797115704 MTMQQYNUFORNRA-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1Cc3ccccc3N1)C2 1798442796 FURJZHWMYHPDAQ-QOIOWGMHSA-N 434.500 0.974 50 20 ICGD CC1=NN(c2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cc2)C(=O)C1 1798978170 IWZFUTFVWYEDPU-LORHWOILSA-N 448.907 0.602 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2)[C@H](F)Br 1799349518 HTQIMXCONUXPLL-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801351626 BIZZQDUDJBRYEA-UDIDTPLLSA-N 435.289 0.068 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341254 UXICILVDADEOKJ-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CC[C@H](NC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817460286 ACHIBFPFPNLYJC-GOEBONIOSA-N 428.497 0.712 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(O)c2)[nH]n1)c1ccc(B(O)O)cc1 1817475664 QOALUCHYXBIKGO-SFHVURJKSA-N 435.249 0.810 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc(F)n3)sc2C1)c1ccc(B(O)O)cc1 1820439239 BCTZWLTZFIVTJU-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826091790 CKZLLJHEPDKQDG-KBPBESRZSA-N 447.565 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829563871 OMRCQYQACRCEGP-KSSFIOAISA-N 448.303 0.764 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830354333 WYMAADLINXXKIY-KKHYBRAUSA-N 427.929 0.566 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1830366519 RKIKUATUIAIUSD-LJQANCHMSA-N 442.900 0.282 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831651190 RIXCFVOZONPKES-QEJZJMRPSA-N 431.375 0.982 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832790997 CGTQSCCNKTVTAY-LIRRHRJNSA-N 444.916 0.446 50 20 ICGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1834404377 PWHVFXLRMPMOBQ-QGZVFWFLSA-N 429.315 0.758 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Br)CC2)CC1 1835058327 MXJJQFYNIKMQMT-WFASDCNBSA-N 446.390 0.788 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939157 GXPFPTPAXWIMHY-QFIPXVFZSA-N 430.310 0.183 50 20 ICGD O=C(c1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197528 AGJYZDUCJAOJGU-BBRMVZONSA-N 434.237 0.981 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197742 HLSNPWBLXJIYCJ-UKRRQHHQSA-N 425.251 0.087 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1839963667 RJBUQMDWGSXOOP-CXAGYDPISA-N 435.315 0.570 50 20 ICGD COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840187596 MLQZOBUPSURGOJ-QGZVFWFLSA-N 435.308 0.403 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840458841 CGSJWAPYOVHINN-LPHOPBHVSA-N 426.901 0.119 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1cccc(Cl)n1)C2 1844263686 IULHYJXFOMBZAS-UHFFFAOYSA-N 428.880 0.793 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3cnccc3n1)C2 1844264209 STTUAUOHQOXLCK-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CCc1cc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1C 1844578527 BWMZVVPHRDDKIV-OEAKJJBVSA-N 425.493 0.934 50 20 ICGD CSc1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1O 1844716724 OBDCLVKWCLLUHL-UHFFFAOYSA-N 426.303 0.925 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846348298 LHHZQFJIZOAJFL-RDJZCZTQSA-N 428.294 0.163 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)[nH]c(C(C)=O)c1C 726084295 URMWKVFFTAUYLF-UHFFFAOYSA-N 439.428 0.563 50 20 ICGD O=C(NCCCNC(=O)c1ccc(Br)cc1)NNC(=O)C(=O)NC1CC1 726711295 LAPMQDFXZCUSAB-UHFFFAOYSA-N 426.271 0.178 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOC2=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728328215 QZKQCIDIPCAJCG-QGZVFWFLSA-N 441.396 0.787 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2c[nH]n3c2nc(=O)c2ccccc23)n1 728729541 QTFPNAKFHIYEMR-UHFFFAOYSA-N 440.441 0.488 50 20 ICGD N#CCCCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729056267 GDBPDANGHGPSET-UHFFFAOYSA-N 437.522 0.664 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 731494510 YMNHSJDTSOXTHT-UHFFFAOYSA-N 425.488 0.759 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 732200146 QNGDVNSZPZXYQH-AWEZNQCLSA-N 440.522 0.100 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H](C)O1 732262428 SNDZJPYSYJODDX-GASCZTMLSA-N 426.539 0.039 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1C 737765719 JVKUCLSDMUIGSX-AWEZNQCLSA-N 439.472 0.786 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744601035 KUJUUGRXLUIHQE-UHFFFAOYSA-N 440.437 0.088 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(N)c(OC)c1OC 744856315 IOLZEGLQNFFVKU-UHFFFAOYSA-N 428.401 0.784 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 746003475 OLXONQQXFNPKHN-UHFFFAOYSA-N 439.538 0.614 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)CN1CCCc2ccccc21 748213546 ASLATLRANTWZBS-UHFFFAOYSA-N 440.460 0.994 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 749560960 MCJGKNUAZKWKSA-UHFFFAOYSA-N 430.486 0.997 50 20 ICGD CCOc1cc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)cc(OCC)c1OCC 749806444 CTIMEEGVTRVVSB-UHFFFAOYSA-N 433.465 0.626 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 750274540 GAMTVAFZWGRXIO-MRXNPFEDSA-N 427.461 0.574 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 755538141 ZVNBXQHHDMWSCO-AWEZNQCLSA-N 432.462 0.655 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 756294038 CEOASLKUVNRFTQ-CQSZACIVSA-N 434.497 0.344 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 756866146 XLZHOHZQTOTDOM-GFENJXEQSA-N 427.461 0.831 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 761726404 PTXHLTJYMARBPV-BLVKFPJESA-N 435.506 0.838 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)nc2)c1 763508424 JSOAMANPCHJMCV-UHFFFAOYSA-N 449.489 0.520 50 20 ICGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)CCN1CCN(c3ccccc3)CC1)CCC2 763529462 BXUYECCIRUJYLG-UHFFFAOYSA-N 439.520 0.207 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763713338 NMCSNYNBGWFLJE-UHFFFAOYSA-N 442.472 0.881 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763947230 ADIVPPGFXXHTJO-UHFFFAOYSA-N 436.428 0.646 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 763996789 ZZPKYNIAZPDWRM-UHFFFAOYSA-N 426.227 0.597 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 764004589 IEUFSYWZXQIHNN-UHFFFAOYSA-N 436.222 0.518 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c1 764106312 IJBULPLMAJCBBL-UHFFFAOYSA-N 425.405 0.399 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cc2)CC1 764192070 JYSXUQRZJSZXHY-UHFFFAOYSA-N 437.500 0.793 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1COc1ccccc1 764228575 YIMUPJKIOGAURE-ZDUSSCGKSA-N 434.474 0.289 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764354454 RPGHQPIMGDEGER-UHFFFAOYSA-N 436.428 0.691 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2NC1=O 764402327 ZCSUGMGQTWLMJH-SNVBAGLBSA-N 430.442 0.990 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 766636137 KBWUVIDLHSGKOI-LJQANCHMSA-N 439.582 0.035 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 768908287 PASKBDWNZCQIKQ-NRFANRHFSA-N 426.429 0.980 50 20 ICGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1=O 769596685 IFFQJZJBNYCACG-HNNXBMFYSA-N 435.444 0.793 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 771853926 YPZYTPYWRHSZOB-LBPRGKRZSA-N 443.478 0.005 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 772208804 WXPSMERTYWHWNY-FKIZINRSSA-N 434.449 0.260 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCS(=O)(=O)C1 776242433 IWCQOLVZXRFQAV-INIZCTEOSA-N 434.515 0.247 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 785067100 GXLCCQNNDRSAQJ-UHFFFAOYSA-N 440.435 0.639 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785405961 JZTZAPCJPLYYSN-ZDUSSCGKSA-N 441.506 0.916 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N1CCN(C)CC1 788166394 LWIKAHGCVCFASB-INIZCTEOSA-N 443.595 0.383 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccn(Cc2ccncc2)n1 789813358 RBVSUFRVJVBRNF-HKUYNNGSSA-N 434.456 0.985 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 791495499 ZVMHOZMWLRQYCS-GOSISDBHSA-N 430.461 0.618 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)C2=O 795169766 WVYBECCJIVQSAY-YJYMSZOUSA-N 437.522 0.881 50 20 ICGD CN(C)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368983 KVVPSCAKUFEXQV-UHFFFAOYSA-N 427.461 0.761 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 797537153 ANITYUGBNIBRJN-UHFFFAOYSA-N 445.501 0.409 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Br 799122904 IHORZYUJVSJZBB-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 799911997 NOBIYQOYPKHBCV-UHFFFAOYSA-N 443.551 0.109 50 20 ICGD O=C(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 808767708 SUVXSNRZEFVWAG-ZDUSSCGKSA-N 439.494 0.150 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2nc3ncc(Br)cn3n2)cc1 812733634 ZIWXEMZGDWZTQU-UHFFFAOYSA-N 440.283 0.894 50 20 ICGD CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814703534 LYNIEWLZLRVREX-UHFFFAOYSA-N 441.473 0.140 50 20 ICGD NC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)=NN1c1ccccc1 913254319 LCWKJMQGVYJMBD-MRXNPFEDSA-N 443.847 0.764 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OC[C@H]2CNC(=O)O2)cc1 914015753 UVKOQNXKTFFYDH-XMCSSRMMSA-N 439.428 0.993 50 20 ICGD COc1ccnc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 914762135 RYAOMJGDHKRJKC-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 915906470 NRFNEXSEQRKHEF-UHFFFAOYSA-N 448.483 0.915 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(C)(C)N1CCN(C)CC1 916259060 SIELWSAWLLFWGX-UHFFFAOYSA-N 439.586 0.258 50 20 ICGD C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 917941443 RHVMPJCENZBXAS-HTQZYQBOSA-N 438.325 0.211 50 20 ICGD Cc1nccn1CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 918222237 BIHYARVWVFBSNY-UHFFFAOYSA-N 436.542 0.239 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C 919689290 IBSSQGJTPLADDQ-CYBMUJFWSA-N 427.461 0.421 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778915864 GYQJLGFRKSHQMZ-UZUQRXQVSA-N 437.305 0.311 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779454961 WQSGIXCZHCHKRQ-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3oncc3C)C2)C1 1779934792 YZNKFQWJUIYYSV-RXULLKCLSA-N 428.449 0.561 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2)[C@@H](F)Br 1780773703 MLWWUMTZVQLBQO-AXAPSJFSSA-N 431.262 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783932989 NYYFACKXAQCBIT-HSZRJFAPSA-N 441.532 0.694 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)c1ccccn1)CCO2 1783937412 KHEVVSCLXQDUMQ-QFIPXVFZSA-N 431.537 0.562 50 20 ICGD Cc1cccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784708687 AXMOZNVDQRVNRM-WBAXXEDZSA-N 438.488 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cc(F)ccn3)[C@H]2C1 1785241542 UEXSPNSPJZDSIZ-SNRMKQJTSA-N 449.527 0.506 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787437062 RDLCEQDGGUGMSZ-ZPFDUUQYSA-N 443.298 0.512 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNc4ccccc43)C[C@@H]21 1791289256 QJMLFQVVJVHHOD-NFBUACBFSA-N 443.548 0.548 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792786117 OOFCREXOBMGGSJ-YALNPMBYSA-N 439.944 0.312 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795466639 KYBGNXZXPDJOAW-MPTYRVRUSA-N 432.359 0.329 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1Cl)C2)c1ccc(B(O)O)cc1 1795735735 AZPMJCMCCMUEIC-HBCWATKFSA-N 446.671 0.676 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185785 PHVIHMSYXHFDMG-REPLKXPHSA-N 437.261 0.769 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1797354442 ZZZHCYQNEVKQBS-REPLKXPHSA-N 432.289 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2 1797748712 WUJHUNCCMWWPFS-HBCWATKFSA-N 447.561 0.564 50 20 ICGD O=C(O)c1cnncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350387 YGKSHUGSWDCMKH-VVJJBPBLSA-N 431.218 0.069 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920569 VAQBHEHVSOUDCO-TWTQLAGVSA-N 446.460 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1Cc3ccccc3C1)C2 1801014089 DTTHPUHJVQDIKQ-IRJINJETSA-N 442.560 0.754 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803141010 KDEYPPJFQVXPSR-DAXOMENPSA-N 433.852 0.489 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803143166 VVMRHFSDJCUMTN-JXSMBQFASA-N 432.912 0.978 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)[nH]1 1803813157 NTGIABPQYQMDRT-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1804331789 YJYYKABLAJSXME-JXFKEZNVSA-N 441.488 0.936 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnc[nH]2)[C@@H]1c1cccnc1 1805579164 RPFCZPAPTMYZKA-KSSFIOAISA-N 434.460 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncnc1 1805787266 NTGKUWNJVBZSNG-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Br)[C@H]1c1cccnc1)C(=O)O 1807210252 XYNBJRYEZSZNFC-ZIEJDFEHSA-N 441.326 0.934 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359039 DGRPSJCMHSYUCR-TYPHKJRUSA-N 437.305 0.650 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363080 APHJTFHCXCIFFD-BSIFCXSSSA-N 437.305 0.672 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1 1813070195 DVZKXDBRTXGJIN-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)on1 1813071315 RVVKQAKYCQTTQW-VGSWGCGISA-N 442.520 1.000 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1813331085 UPMHLSVPVRUNAO-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069730 YYJJFXCTMCBYIC-DJLDLDEBSA-N 432.344 0.431 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(O)nn1 1816296973 UQUBOKCBKUNISC-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD CC(C)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795674 REMLVSLIODPCLC-LBPRGKRZSA-N 445.549 0.756 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cccn1 1822799725 WQMVGQXUHGSBLJ-KSSFIOAISA-N 436.281 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060667 WIFZGBRWQXXWOS-RBUKOAKNSA-N 436.745 0.854 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)NC=O)CC1 1830327801 CKYZLHNVXBENCU-DGMXVEBPSA-N 444.536 0.875 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)co1 1830731733 OSQNPQYKWDSXKL-KXBFYZLASA-N 444.988 0.495 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252155 RCCBMGWFADNILV-YGRLFVJLSA-N 448.797 0.815 50 20 ICGD Cc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1832619394 OLANAPIAHDBSTJ-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312795 DWSLSBQFMKPAQO-KDOFPFPSSA-N 425.961 0.924 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390104 MIHWARHGTQKNQZ-KUHUBIRLSA-N 426.901 0.474 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1nccc2nc[nH]c12 1835026332 BBESOGQFSHLMAV-INIZCTEOSA-N 434.928 0.743 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837728172 VRSYUUVEUKUEQE-BXWFABGCSA-N 433.933 0.001 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CCC1=O 1839150500 NZNLHPRMTKMOIJ-MSOLQXFVSA-N 449.335 0.287 50 20 ICGD O=C(c1ccncc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201069 VKYFPOJCNNJZBI-BBRMVZONSA-N 432.246 0.548 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035627 YEXNQUDEFYVJEL-CXAGYDPISA-N 429.315 0.431 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1843335327 HAIDYQRPGITPLC-OLZOCXBDSA-N 445.948 0.769 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Br)C3)CC1 1843838135 VYZYRZALEJSJLB-GFCCVEGCSA-N 440.335 0.552 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)Cn1cnc2ccccc21 726026271 OESZBUVDWHYJGB-UHFFFAOYSA-N 432.440 0.256 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O 729617738 GGYAYEUEFABTAW-GJZGRUSLSA-N 428.493 0.785 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2CCN(C(C)=O)CC2)nc1 729624532 XYQOSHSJSYFUDX-UHFFFAOYSA-N 426.543 0.997 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730743412 OYWJMEOKVARPPB-MRXNPFEDSA-N 436.511 0.856 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1c[nH]nc1C 731852275 QWBZMLDIQPINBP-HNNXBMFYSA-N 425.536 0.888 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nn1-c1ccccc1F 731854080 PPEXABHAVQGDKE-UHFFFAOYSA-N 434.391 0.731 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 738449819 FJTALLRPLNVAQF-UHFFFAOYSA-N 434.478 0.172 50 20 ICGD CCOC(=O)N[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)C(C)C 744619760 XNGQNWNUVYEICH-MRXNPFEDSA-N 428.511 0.921 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc1Cl 745488297 GBACNBVALHRGDQ-UHFFFAOYSA-N 442.904 0.857 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC(C)C 746386455 UPVBMZATEJQKHL-QGZVFWFLSA-N 448.520 0.424 50 20 ICGD O=C(NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21)C(=O)NC1CC1 750934485 YDRHKVANXKNJMR-UHFFFAOYSA-N 433.222 0.478 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 751833169 ZERZTDCKEWOZAT-UHFFFAOYSA-N 437.210 0.466 50 20 ICGD COC(=O)c1nc(Cl)ccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 755964366 CVNIFHSMKIVOBO-UHFFFAOYSA-N 432.867 0.323 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 756616137 IHFPNJFOEOKBLU-UHFFFAOYSA-N 445.501 0.754 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc(OC)c1OC 756760743 NOJNXRXPHIIWGM-UHFFFAOYSA-N 441.466 0.420 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 757863096 NPHFSLROUUESFN-CYBMUJFWSA-N 440.478 0.962 50 20 ICGD Cc1cc(Br)ccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 759193331 KVTOANYGUDBWFU-UHFFFAOYSA-N 426.296 0.792 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCC(N(C)C)CC1 759583062 CEQGTQPQUKDWJS-UHFFFAOYSA-N 439.586 0.258 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 759687397 WCPQDYYWGSMFHY-UHFFFAOYSA-N 444.469 0.403 50 20 ICGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760132023 NWKALCINBOCFND-CVEARBPZSA-N 428.511 0.140 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 760750677 LYUFTXBRQAIQJQ-JSGCOSHPSA-N 439.469 0.364 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n(C)n1 763509230 OKIRCXASLCYSMV-UHFFFAOYSA-N 448.505 0.167 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 763661856 QDTGIBPJUHOEDT-UHFFFAOYSA-N 441.444 0.780 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1 763782856 GVTCLXMLFRSIHN-UHFFFAOYSA-N 426.451 0.423 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1F 763791686 XIZUHGWOULUPBV-UHFFFAOYSA-N 427.392 0.871 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)c1C 763856151 YTTKNQURXMTBDW-CQSZACIVSA-N 428.445 0.721 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1 764002886 VKZSCKSZLXXDPD-UHFFFAOYSA-N 436.266 0.855 50 20 ICGD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230325 HFVOSQOOWASTAK-LBPRGKRZSA-N 428.511 0.334 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 764345186 OUNMQTPSWODRRU-UHFFFAOYSA-N 433.350 0.872 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cc21 764367026 SKVCOPLBQUDBIW-UHFFFAOYSA-N 425.445 0.985 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 764426401 ULFZSGREMFSFBM-DOMZBBRYSA-N 427.841 0.399 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccccc2OCc2ccccn2)n(C)c1=O 764819841 WJCCKOCPRQYAOM-UHFFFAOYSA-N 447.455 0.558 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 766019640 UJQOUNOFILMHKT-VHSXEESVSA-N 442.498 0.797 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2ccc(F)cc12 766637572 UMPQZLHONPDGLK-UHFFFAOYSA-N 444.448 0.557 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 766853304 IJPYXDKARWRTQR-UHFFFAOYSA-N 441.510 0.211 50 20 ICGD Cc1ccc(F)c(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 768093407 JOFBNNBIIXGSFR-UHFFFAOYSA-N 437.497 0.987 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)n[nH]2)cc1C 768262423 JRXOWXKPALIUCC-UHFFFAOYSA-N 445.505 0.475 50 20 ICGD C[C@@H](CNC(=O)NNc1nc(O)c2cnn(C)c2n1)N1CCN(c2ccccc2)CC1 770343069 XNFJGJVKNJRTKB-AWEZNQCLSA-N 425.497 0.906 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 771847883 ZPNRHCHOACIKAZ-VIFPVBQESA-N 426.476 0.401 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772187752 DBEWNNBZMSFYSQ-UHFFFAOYSA-N 448.888 0.590 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)n1 772621868 ANFFBOFGNWQQRE-UHFFFAOYSA-N 428.540 0.487 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 772623111 DCEOQMQETSVNDK-UHFFFAOYSA-N 437.503 0.650 50 20 ICGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 773068799 JPNAEWUIEILMIE-QGZVFWFLSA-N 435.956 0.864 50 20 ICGD COCCOc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccn1 777179721 VAIIWTFPJUECFK-INIZCTEOSA-N 431.401 0.251 50 20 ICGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 782768542 MXEJNLBOFDIWSH-UHFFFAOYSA-N 439.519 0.259 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 785060837 ORFKTYXAOWBXJD-UHFFFAOYSA-N 445.443 0.651 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799370080 XZRKBPYGFVUWPW-UHFFFAOYSA-N 429.861 0.726 50 20 ICGD C[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N(C)CC(F)(F)F 806873390 WHHAYVPEYDHEBX-LBPRGKRZSA-N 438.476 0.343 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1C 807541539 OKQXBUFCITWHQE-AWEZNQCLSA-N 431.415 0.835 50 20 ICGD COCCN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 816562805 ZJELDRFQRDQPOU-UHFFFAOYSA-N 440.566 0.526 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2c1=O 884907823 UFMBLDLUDDAHGZ-HOTGVXAUSA-N 439.472 0.743 50 20 ICGD COc1ccccc1OCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 915889460 ADNMUJFYOPPVJR-UHFFFAOYSA-N 436.490 0.969 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12 916222028 QLUGYVKCHIEKBR-GFCCVEGCSA-N 431.478 0.685 50 20 ICGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)c3cnccn3)cc21 917732222 RBXCHHCLJWCESU-UHFFFAOYSA-N 440.279 0.771 50 20 ICGD Cc1nn(-c2ccccc2)c2nc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc12 919889340 XPJNFTDFWSVMAJ-CYBMUJFWSA-N 428.474 0.860 50 20 ICGD O=C(NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O)N[C@H]1CCS(=O)(=O)C1 920385135 VSXZXIWNKGXCDZ-AWEZNQCLSA-N 432.506 0.505 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C[C@H](C)O[C@H](C)C1 921203017 OTPKUKKVPUGCRS-IJEWVQPXSA-N 425.555 0.875 50 20 ICGD C/C(=C/C(=O)NNC(=O)Cc1ccccc1F)C(=O)NNC(=O)Cc1ccccc1F 1527539364 OWXRSVVCGNHIRG-RAXLEYEMSA-N 430.411 0.991 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778590128 NMUNXGSDAIHENS-IQUTYRLHSA-N 436.900 0.506 50 20 ICGD O=C(CS[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779077515 COFQQROXHVEWIQ-PZJWPPBQSA-N 448.350 0.070 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c1 1779370980 AUKBWILTZINKTI-XMSQKQJNSA-N 440.504 0.465 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780742943 RKBMQXPQQOOHLL-NMWDDECMSA-N 439.472 0.970 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781569508 HJIKRIUXTYMBMK-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1783935254 PGNMBKMCDFYDHS-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984883 UUQSPADZDCETGQ-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccncc1Cl 1788857416 LXXODHXVAUQVAP-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)nc3)C[C@@H]21 1791254052 JECVLLXTCFVAQW-JKQORVJESA-N 439.896 0.715 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)CCOC1 1793115480 PBLUYSZPCGKHRS-UPYQZRRNSA-N 445.944 0.908 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc([N+](=O)[O-])cc1F 1796189409 JTISMLBVOCOAHZ-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191354 CDQQMVYFCCNENH-IYWMVGAKSA-N 449.316 0.881 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)no1 1797956768 BXNIOOOBABKREP-ZSBFGKGUSA-N 438.557 0.154 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956849 GSHIXTLMXLECAM-AFIMGQEJSA-N 449.584 0.036 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nn1C(F)F 1799399886 QWUKDEKGDSNVLR-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)c1cc2n(n1)CCCNC2=O 1800159757 NXRLCXCGXPBSLT-MIJXAVMKSA-N 442.289 0.959 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 1801009582 OSWZWQYZGORYJH-DPIQGUFMSA-N 428.942 0.978 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccc(F)c1F 1801012415 XZNUAAQXRZINEG-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803618240 RIGJJIZIRDQSDU-IAECCPNBSA-N 433.553 0.867 50 20 ICGD C[C@](O)(C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)C(F)(F)F 1806478878 CCBXIENXRYJFKA-SFHVURJKSA-N 442.243 0.525 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072294 ABJSWXNHIXBROC-ZYUBPCRBSA-N 444.536 0.500 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC=CO3)sc2C1)c1cccc(B(O)O)c1 1819731096 NFBKIMGNOQEROF-HOCLYGCPSA-N 427.291 0.741 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n[nH]1 1819798088 VALTUKILUICYCT-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1819801108 GNMNPLBAYMCBMM-MQBJUPHKSA-N 442.501 0.260 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ncon3)sc2C1 1821022995 PUSBFLYLZOUYMJ-CTWDJJQWSA-N 442.461 0.886 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCNC(=O)C2)[nH]n1 1822416799 PZCFMYKMUSJXFP-HIFRSBDPSA-N 433.513 0.301 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822841952 YNWKGYBJGWJQEU-NWDGAFQWSA-N 448.998 0.803 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822864130 ZXOIVNKFIMECEV-BEPCFFQHSA-N 436.365 0.884 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733026 ZMZFQSCGZXNIHB-WIYYLYMNSA-N 448.907 0.746 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccc(O)cc1 1830733859 WIKRXPPNGMSPLB-JNAXZKDPSA-N 426.897 0.552 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)c1 1830733998 XVFJXQGCMKVXPG-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)ccn2C)CC1 1831873765 WYIAFLKMVZEGQH-IBGZPJMESA-N 445.564 0.992 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854210 FNBWTEOAGUDRNF-YLJYHZDGSA-N 443.903 0.864 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1833263773 SCTPHFOGNMADLJ-CQSZACIVSA-N 441.374 0.881 50 20 ICGD O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834619006 YCLOSBKRNSFARG-UHFFFAOYSA-N 445.402 0.675 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834822545 URLRGAMSQPMMRM-KRWDZBQOSA-N 444.282 0.348 50 20 ICGD CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835835396 YFBVDOZTAYEXFH-UHFFFAOYSA-N 441.649 0.681 50 20 ICGD O=C(Cc1ccccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836191310 JQDMQVQHYFUBNG-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837243598 SXJWWTPPIWZECV-UMFZYTJCSA-N 443.335 0.292 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839150183 DMTLEBUYXXLXSA-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150204 FOEPIURJXKLYIA-MSOLQXFVSA-N 438.352 0.548 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)CC1 1839202608 LBENPUDUTJLHOH-XHDPSFHLSA-N 437.262 0.087 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1839652375 CABQBRNEZCDFHJ-SFHVURJKSA-N 434.990 0.192 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1839963072 ZBXMUCVFEVATCE-VKJFTORMSA-N 431.327 0.655 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840030951 BBIJHXYCEQGHAR-GUYCJALGSA-N 429.315 0.582 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840033982 WJCSDVOCJBURJS-ZQIUZPCESA-N 444.330 0.154 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103842 VPRPKWVMUMDRLK-UZLBHIALSA-N 429.945 0.863 50 20 ICGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840186951 XOUZONUMBLKHGV-KRWDZBQOSA-N 435.308 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840604943 GKLAFCFZPKEENL-QFIPXVFZSA-N 436.553 0.396 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(C)(C)C 1841498001 UIGBRMNROZKNGW-NFXIUMSZSA-N 444.536 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1ccc3c(c1)OCO3)C2 1844264049 XZGMJQFHRGMAAQ-UHFFFAOYSA-N 437.456 0.474 50 20 ICGD CCOC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1845514961 CIQVZJBQXAWLJB-UHFFFAOYSA-N 436.273 0.674 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847320466 VSKBPEOBKBXBKQ-ROUUACIJSA-N 431.537 0.959 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 26534628 ZHTLMNAPLDDQRS-CYBMUJFWSA-N 439.465 0.979 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 27741653 MUIFRHIXIDDFNN-LJQANCHMSA-N 429.364 0.962 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 728342857 KHUCMUXMQUMQFL-KRWDZBQOSA-N 426.429 0.826 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 730821067 MBMTWQZXOHHLDW-ZDUSSCGKSA-N 435.550 0.898 50 20 ICGD O=C(NNC(=O)c1ccccc1CN1CCOCC1)c1csc(N2CCOCC2)n1 740739507 FSOXWIRXCCKFTN-UHFFFAOYSA-N 431.518 0.887 50 20 ICGD Cn1c(=O)ccn(CC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1=O 743831436 ONFBSJCTLFAZPR-UHFFFAOYSA-N 430.646 0.816 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744568801 WFLYFFZHUDDWOJ-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1OC 746548401 HQGYTQBICUOYKU-UHFFFAOYSA-N 446.485 0.905 50 20 ICGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 750288773 YEXCWGPCQIBOJU-LLVKDONJSA-N 449.327 0.826 50 20 ICGD COC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 750446649 MDLWRPOPVOTHSQ-INIZCTEOSA-N 426.495 0.077 50 20 ICGD CCOCCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 750974618 TUIQTGOQDGZDJH-UHFFFAOYSA-N 444.579 0.172 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 755044850 BFFIVDUMKAFJLH-LBPRGKRZSA-N 446.460 0.944 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cn1 756031060 IFDIPSXNIBTMGT-UHFFFAOYSA-N 426.430 0.047 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756433627 FJSNEJNKPYKCJT-SNVBAGLBSA-N 433.918 0.911 50 20 ICGD C[C@H](CO)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 759639097 QRBHQPHIVPOWBT-AWEZNQCLSA-N 428.511 0.060 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 763431841 SZQYIYSCZMMITO-UHFFFAOYSA-N 432.458 0.107 50 20 ICGD CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763557976 LPERPRXMEDXART-KQWNVCNZSA-N 435.506 0.776 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574412 AREGWGURGJPNTQ-OAHLLOKOSA-N 437.405 0.155 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1 763819886 AOMPERDUBKICEQ-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1 763860696 KPKXZBJQUNNEEC-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763871322 FTOQUAYPYLJSIY-NSHDSACASA-N 438.437 0.287 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)on3)ccc21 764015964 BIHVFLKBHRGRCC-UHFFFAOYSA-N 434.412 0.932 50 20 ICGD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 764231036 LSJXYSWMFORXIP-CYBMUJFWSA-N 449.489 0.514 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)ccc21 764352021 XAALEXLMOZAFHH-UHFFFAOYSA-N 433.428 0.462 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1S(N)(=O)=O 764410328 LFQCNAGMBBVCCT-UHFFFAOYSA-N 428.829 0.835 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764433275 LVWIHDUTFNKVCG-QGZVFWFLSA-N 432.477 0.368 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2cnccn2)cc1S(=O)(=O)N(CC)CC 766259898 GWYSBJDLYILSFT-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1 766650456 UJIJRVDJNFAPTN-XMSQKQJNSA-N 445.589 0.714 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cnc1Cl 767438218 NSDIWTOCICUJQE-UHFFFAOYSA-N 447.926 0.968 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768239219 WAKVXPFRVWDELM-UHFFFAOYSA-N 436.428 0.837 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)c1 768264211 DAIBHZLVMLWKSI-CYBMUJFWSA-N 445.505 0.555 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 768627908 KERMTAFTUJMUDL-UHFFFAOYSA-N 432.458 0.907 50 20 ICGD CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 769002269 ILIXGAMVNHGWHM-QGZVFWFLSA-N 431.376 0.928 50 20 ICGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 770542406 IVKLRXRRDSAEDY-UHFFFAOYSA-N 430.483 0.550 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 773411391 KFJKSBGHRGLTEH-GFCCVEGCSA-N 444.510 0.737 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 774009098 NMNAHCUIZIDENS-LLVKDONJSA-N 429.824 0.869 50 20 ICGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 783278403 ZZSBPUWQBUNHFA-CQSZACIVSA-N 426.495 0.567 50 20 ICGD COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1N1CCCCC1=O 783428606 WKHMWIQHJIWLTN-IBGZPJMESA-N 438.506 0.349 50 20 ICGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783847856 VJSLUECQEBGPKA-HOCLYGCPSA-N 426.495 0.454 50 20 ICGD NC(=O)c1ccc(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 792606823 NYPRVJMOZYGDDS-UHFFFAOYSA-N 443.935 0.947 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 792818788 RZRLFPVOBOHABQ-MRXNPFEDSA-N 427.438 0.824 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3ccc(-n4ccnc4)nn3)cnc21 804952138 JGFXMLMOOWYXSJ-UHFFFAOYSA-N 445.241 0.012 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)ccc1F 806979732 FHXDGRNHOVGBKF-UHFFFAOYSA-N 426.401 0.202 50 20 ICGD CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 810389634 KHLIFKJMAFUMAN-GFCCVEGCSA-N 434.218 0.488 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 812731825 WDPJQLPCTOFAFV-UHFFFAOYSA-N 426.520 0.660 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2s1 815691864 DAQRWWVDYOBBOX-SECBINFHSA-N 431.503 0.958 50 20 ICGD C[C@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)C1CCOCC1 816509907 GLRYGNAIANFCNA-ZIAGYGMSSA-N 447.554 0.763 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)c1ccccc1F 859403250 RQDLWSQJDZIWJO-UHFFFAOYSA-N 427.479 0.912 50 20 ICGD COc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)cc(OC)c1OC 914830052 RUAAVDZKMGYGHC-UHFFFAOYSA-N 438.462 0.237 50 20 ICGD O=C(NCCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915884873 OLFPHNDGFZDUKL-UHFFFAOYSA-N 439.538 0.137 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCOC[C@H]2CCCO2)c1 916209723 RBKMOIWQIPPULV-OAHLLOKOSA-N 428.511 0.467 50 20 ICGD O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 917314709 NZMMEVNBWZVMEH-OAHLLOKOSA-N 428.357 0.689 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 1318504182 OYBCLFFHCAFEGA-SOLBZPMBSA-N 431.537 0.649 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)cc(OC)c1OC 1322617574 NEBOEPAAUVKMHE-LLVKDONJSA-N 430.479 0.456 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4ccn(C)c34)C2)C1 1777969509 AVIBJRPHTZBXON-HSZRJFAPSA-N 441.532 0.995 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940046 DBCSXAGHPWFGEP-MAUKXSAKSA-N 427.841 0.998 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782960215 PHYALBWMKJDDFA-UHIISALHSA-N 427.292 0.084 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783536068 DJRTZJDQSNBRCG-HWPZZCPQSA-N 427.255 0.402 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1784371660 ZPPRUCNPZVVNQV-OXQOHEQNSA-N 439.944 0.552 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCCn3cccc3)C2)C1 1784566190 FFBROGGGTLPLJV-QFIPXVFZSA-N 440.504 0.411 50 20 ICGD CCS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1786339130 XOMXAOZMLQKTHM-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]21 1787508796 NIUOLEDJSBQNER-RBOWNIJDSA-N 441.492 0.147 50 20 ICGD Cc1nc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789062334 CQRVNHOWRCWXND-SNRMKQJTSA-N 441.268 0.116 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(F)cc(F)c3)[C@H]2C1 1789644613 DEOQEIDVEWOYFX-KKXDTOCCSA-N 438.475 0.931 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926309 RFMLSIPXGZQNCB-MCZMQQNQSA-N 436.322 0.961 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1790963851 MENZUYAOIGAILX-YTFOTSKYSA-N 428.331 0.992 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975064 IPPMJLFKNYPXNP-RMEBNNNOSA-N 433.933 0.337 50 20 ICGD CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795433595 QCSNUAKQOIONSL-IVSAIRAKSA-N 446.976 0.660 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(s1)CCC3)C2)c1ccc(B(O)O)cc1 1795732594 ZWKHZTVGAKYICM-CWPLJXCYSA-N 440.330 0.434 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796098313 OMTLMWFPPSCTKV-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD O=C(Cn1nnc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190169 XBTYOQSQLQKXCV-BCDXTJNWSA-N 433.277 0.063 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)[C@H](F)Cl 1796362074 ZCMQHWGDLXUXBY-RMHZUWNSSA-N 426.876 0.656 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1797956831 FOJGMCVYYJBUCO-VASXEIHQSA-N 449.580 0.893 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C)n1 1798378889 OFLKRLRASHNPEU-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)ccc1[N+](=O)[O-] 1799247954 GUXZZDXNVFOIIU-HRJSJKBJSA-N 441.868 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1F 1800647338 GXQRYQBSOWPKLK-USGNIVHTSA-N 436.484 0.167 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359893 MRWGRNJKZBRBDS-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3csc(N)n3)C2)CC1 1809861641 LCSGFXXLCSKNQL-UHFFFAOYSA-N 443.533 0.882 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810967825 MVEBRKOWFVHSEQ-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD COC(=O)C1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1812692629 NKOFCJHWGKPAGS-APWZRJJASA-N 445.520 0.414 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1812864187 NVBMYTQSRSPZTA-ZGMNHVEMSA-N 440.342 0.464 50 20 ICGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)n1 1815571489 XIXRAGSKPGVSTP-LLVKDONJSA-N 435.510 0.362 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccn2)[nH]n1 1819401946 GPTXTSBTTDMJFT-INIZCTEOSA-N 435.448 0.818 50 20 ICGD Cc1cnoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797498 CWYQEQNSXNYWOP-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@@H](F)Br 1820930454 FYKUHWSPOKIHJD-TVQRCGJNSA-N 445.249 0.644 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)C(=O)O 1823414826 ZUZXKEFTFJLQEL-MEODZPNASA-N 441.448 0.745 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824768771 XOIHQMOEHVMMPD-JKSUJKDBSA-N 425.913 0.521 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCSC(=N)N)CC2 1826085425 SYXOYADZVODMJC-JTQLQIEISA-N 441.583 0.445 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826125467 CMJUQLSKXCAPFL-HIFRSBDPSA-N 449.363 0.163 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829877619 HUKUCFWUTANVOJ-CRAIPNDOSA-N 432.359 0.712 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873077 IIRZPHIVJCMBRE-SFHVURJKSA-N 437.585 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccncc2=O)CC1 1831874060 AFHLSLOXPLNPJR-SFHVURJKSA-N 446.552 0.236 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnn(C)c2)CC1 1832275019 WKUUFZDZWWPYDC-IBGZPJMESA-N 432.569 0.955 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171201 VUMKMNYNBCYZJR-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833555799 LTUFFXKGNLKABD-OAHLLOKOSA-N 425.917 0.621 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1)c1cccc(B(O)O)c1 1834800088 VITYJPGGHYPAHY-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835111102 APWSHVBHPUWCCN-GDLCADMTSA-N 447.964 0.895 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1CCC=CO1 1835720260 FSYMSMWKSABLAT-NRFANRHFSA-N 441.337 0.244 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 1837004268 ZMEOVHSBECPLLV-IBGZPJMESA-N 437.585 0.452 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837328306 WMEJHRXEANJTEF-QAPCUYQASA-N 446.957 0.007 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839143857 JPIQXUFYXVJZSU-VBKZILBWSA-N 439.896 0.940 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1C 1839153176 CQONDFIZKDXGRJ-ROUUACIJSA-N 449.335 0.735 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839178326 WFYDMZCBYLWZKM-YVSHKSEASA-N 442.321 0.183 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839353277 ZMVFOBNQURWFAZ-MAUKXSAKSA-N 445.831 0.404 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)c3)C2)C1 1840152025 URAFQOGZNIHQIF-RXVVDRJESA-N 440.924 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1840185006 DLWYLPKHDLXLFH-NRFANRHFSA-N 436.484 0.269 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1843841117 FYYZNLQATVRMIY-UHFFFAOYSA-N 443.309 0.050 50 20 ICGD Cc1cnc2c(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)cnn2c1 1844264453 UQNLHHXRTIDFQQ-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD COc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccc(F)c1F 1845432423 DTCQGZBEWHXJPA-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nc(C)cc1C 1848222574 VNNBYKTYRCTAFP-MUPDODCCSA-N 425.493 0.836 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc21 14327258 GGCSCIUYSBLQKX-UHFFFAOYSA-N 437.865 0.102 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)s1 17247730 HKAKOGISXORDQR-UHFFFAOYSA-N 425.488 0.458 50 20 ICGD COc1ncccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 726871320 KKUYUSINTPHNKP-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728890390 OOUGDHAOKDGWAF-UHFFFAOYSA-N 445.911 0.993 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 731492556 OHMLCPVVTHHUSZ-UHFFFAOYSA-N 425.488 0.852 50 20 ICGD CCN(C(=O)NNC(=O)c1csc(N2CCOCC2)n1)[C@H](C)CS(=O)(=O)CC 733336074 JHDITIUHKTTZND-GFCCVEGCSA-N 433.556 0.479 50 20 ICGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 735270167 NEZZXHXIFQJZSJ-UHFFFAOYSA-N 448.439 0.148 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741764400 IBQKDBJHDZJYQW-SNVBAGLBSA-N 429.442 0.801 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cccc(-c3nnnn3C)c2)cc(OC)c1OC 742024805 BQBVQRNBGGYHBP-UHFFFAOYSA-N 448.461 0.526 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C3=NCC(C)(C)S3)CC2)cc1OC 746460019 JUUOBBFJRNQTPB-UHFFFAOYSA-N 435.550 0.964 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1)NC1CCCCC1 746577460 MQJCYFNXPLYMKO-UHFFFAOYSA-N 437.464 0.383 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1OC(F)F 748075855 IAPLDGISOYBKHO-UHFFFAOYSA-N 431.396 0.852 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C[C@H](C)O1 751425868 LUVKPJBCZIGQLO-GJZGRUSLSA-N 438.550 0.659 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cncn1C)c(=O)n2Cc1ccccc1 755554841 MYOHVJGAMHUBSM-UHFFFAOYSA-N 434.460 0.312 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)ccc1-n1cccn1 756491327 ZSBJPHUAXWVMFO-SECBINFHSA-N 445.299 0.725 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc(OC)c1OC 756795107 HGXMGBKGFHSPFO-UHFFFAOYSA-N 432.437 0.654 50 20 ICGD CC(Cn1cc(Br)ccc1=O)=NNC(=O)CSc1nnc(O)nc1O 761785427 HGOZKAZULDTGJI-UHFFFAOYSA-N 429.256 0.491 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)NC1CC1 763526622 CSCALXRHSWVVMQ-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 763716187 BWSNNCGBRKTPFR-UHFFFAOYSA-N 441.423 0.837 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763843517 REHRBUBFIRYTSA-UHFFFAOYSA-N 432.408 0.458 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1 763963033 XAZYWLPJTXTAPQ-UHFFFAOYSA-N 432.506 0.701 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 764090762 FSYUWEZAEMVVTK-UHFFFAOYSA-N 444.444 0.955 50 20 ICGD COc1ccncc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 764378604 KNHZRZYYMLJMKH-UHFFFAOYSA-N 440.416 0.897 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1OCc1ccncc1 764427847 CONBXTBDXVSWPA-KRWDZBQOSA-N 430.417 0.171 50 20 ICGD CCC(CC)N1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642985 POOFRVQYAKSTTN-GOSISDBHSA-N 443.548 0.629 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(C(N)=O)nn1 771034566 QUAJMDVYRYBNFU-MRVPVSSYSA-N 432.384 0.404 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 771605500 AGSUBRASRUNWEF-UHFFFAOYSA-N 430.830 0.091 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 773422262 VVGXEMVBDWWNJN-CUINURIISA-N 446.504 0.588 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NN=c1cc[nH]cc1 773718906 IDJMHYNTOCGNKU-CQSZACIVSA-N 445.423 0.578 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776055937 JTALJRYIDKEJKN-VIFPVBQESA-N 431.272 0.800 50 20 ICGD C[C@]1(C(=O)N2CCN(S(=O)(=O)CBr)CC2)Cc2ccccc2C(=O)O1 777833194 VSJRQOPWPJQFFZ-MRXNPFEDSA-N 431.308 0.985 50 20 ICGD O=C(COC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)NNC(=O)[C@@H]1COc2ccccc2O1 785790906 DUPTUSJEAGWZBO-CNRIWFPOSA-N 444.362 0.873 50 20 ICGD CS(=O)(=O)c1ccccc1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 786524098 AKVRXXJCHGFUDJ-UHFFFAOYSA-N 439.353 0.459 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(C(=O)COC(=O)/C(C#N)=C\C2CC2)CC1 786677607 IMVBYJDZLCFTGV-XFQWXJFMSA-N 440.456 0.464 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799257045 FJDGHNNVXUQSMF-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)NNC(=O)[C@H]1COc2ccccc2O1 808593307 CFGPODGTEHOEFM-BMGDILEWSA-N 440.408 0.821 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F 916378279 LMMPGQBWFBOGPN-DYVFJYSZSA-N 443.382 0.731 50 20 ICGD COc1cc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)cc(OC)c1OC 917388451 HUEFMZOINUVOOM-UHFFFAOYSA-N 429.495 0.679 50 20 ICGD CNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 919877986 XHAUKYQGHVARKI-UHFFFAOYSA-N 425.330 0.872 50 20 ICGD Cc1c(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)n2c([nH]c3ccccc32)c1C#N 920385133 VRUGSCLHHRSFPX-LBPRGKRZSA-N 426.458 0.781 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl 1116095907 XGQUCBPZKPMQSF-JTQLQIEISA-N 435.911 0.076 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 1253200151 HZEHTSKLDLIVCG-ZWKOTPCHSA-N 438.550 0.802 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1C 1321540273 NQJDGHZHRLSLGJ-UHFFFAOYSA-N 449.514 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CCCCC3)C2)C1 1778208834 UGTAFXRFODXNTG-HXUWFJFHSA-N 433.484 0.801 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)sc1C 1779032156 DAMJDQLXEIMGDL-FQEVSTJZSA-N 444.517 0.516 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781228090 VPXZXGVWSSOBNE-MSOLQXFVSA-N 429.109 0.046 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333698 QRDIQZXHOOYEBG-BBRMVZONSA-N 433.230 0.937 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781661276 SOIBWADLHCMWEH-OIPACUDHSA-N 436.958 0.331 50 20 ICGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783492419 FRJRSORREZRMJK-CLUDHOEWSA-N 433.892 0.326 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C)COC3)[C@H]2C1 1783667596 FNAPGRWYNISXDU-GLYSVQQSSA-N 431.493 0.137 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783934645 JFAAUPJZMDRPPK-XYASWCNUSA-N 448.545 0.690 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993590 PLNHNEOQQAXGID-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(F)(C3)C4)[C@H]2C1 1784587057 VTYODAQQKNYWDD-JEUMJWOOSA-N 431.468 0.171 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)on3)[C@H]2C1 1786139677 DCRVRGPACLXOTK-RBOWNIJDSA-N 442.476 0.710 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789870618 QRIUWUHKACECKC-QHLBIMPKSA-N 438.352 0.354 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CC2(CCC2)C1 1791834148 XSVYDPHBWFTAEI-VDGAXYAQSA-N 426.322 0.540 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792900369 DISLEZAHMCTTMT-ZSBFGKGUSA-N 445.428 0.702 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792974769 BUYYBPVOPMSWBM-XJFOESAGSA-N 433.933 0.479 50 20 ICGD COc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n1 1794287062 ZLAMPUDHRGBKGD-ACDBMABISA-N 437.305 0.655 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(F)c1 1795739942 UFXUOPMFTIVZRO-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)=Cc2ccccc2N1 1798436317 SCANKFYYSCLIPC-HIRMHNASSA-N 433.892 0.602 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccnn12 1800899545 QWDWCBREAZILRD-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801010516 ADEABCDKZLUWKS-FEJSZKPUSA-N 446.548 0.645 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803401419 HEIMUBLPZLXXGW-UYAOXDASSA-N 437.305 0.696 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806589871 GCBRLPHEABYHNU-CYBMUJFWSA-N 443.342 0.943 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363716 FKPVHMQOQQSKHW-IRFCIJBXSA-N 437.305 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccncn2)[C@@H]1c1cccnc1 1808515805 JMCQBXQAKYFDGP-JXFKEZNVSA-N 425.493 0.564 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978476 VGOPFIQEQXWFPW-INIZCTEOSA-N 429.326 0.078 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(F)n1 1810752808 BPTHWEUKYPQOCK-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)nc1)CC2)c1ccc(B(O)O)cc1 1815344356 VIYXRPBALAPHRW-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD O=C(CN1CCCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347620 GZXQUPXUQKSWBO-HNNXBMFYSA-N 428.323 0.145 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cccn1 1815361907 UAGNNQABUVNVLX-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD Cc1[nH]nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1F 1816228726 HCPMJWFPHSZIDN-OAHLLOKOSA-N 440.244 0.880 50 20 ICGD Cn1cncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816518939 OUFCWYSECYSLSJ-OAHLLOKOSA-N 437.464 0.761 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819261936 IMOQFOUHFWWHBM-INZIPBBXSA-N 446.338 0.554 50 20 ICGD CN1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](F)Br)sc3C2)CC1 1823008580 VGZGTLYRPSEICU-HZMBPMFUSA-N 448.362 0.993 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825447371 WYWNTVOUXZNINO-UTLUCORTSA-N 446.371 0.821 50 20 ICGD Cc1noc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826085119 FMHLRXDTJPTSKS-LLVKDONJSA-N 435.510 0.362 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1826720730 ZMEVUZDIAMINIT-OALUTQOASA-N 429.005 0.843 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720096 SSRWFIMLDONDMF-SUMWQHHRSA-N 434.276 0.110 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831188928 SNLGNUZJQYYOGD-AXAPSJFSSA-N 438.294 0.048 50 20 ICGD O=C(CCBr)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488586 MKMIIUDTRGWORX-QGZVFWFLSA-N 448.402 0.678 50 20 ICGD Cc1ncoc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834258830 NGOAKHLMLZRTKP-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755790 CQLHWDPACYOEBN-IFXJQAMLSA-N 444.916 0.489 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(O)nc(O)c1 1834985917 QFWZGRDAAYQJJH-OAHLLOKOSA-N 426.901 0.278 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1 1835837775 QTSXQINWOFGNJX-HNNXBMFYSA-N 426.634 0.934 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cncnc3)CC2)CC1 1837505437 OLPGTLNRCSPNLW-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837713355 YQBJAIOEDCPXGE-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD O=C(C1=COCCC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921572 PDURZLVVAZTOJF-UHFFFAOYSA-N 442.321 0.673 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1838835274 NSWVVCGFDKMOHG-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839152097 NPSBJFNSRJCKIO-GJZGRUSLSA-N 447.262 0.789 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1839962598 LHXIPRZBVBBZKW-IAQYHMDHSA-N 433.328 0.782 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840033700 NBNOMGIQEOOQNR-POORBHPNSA-N 444.370 0.566 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840153265 JCEHGCJIEXSZAQ-PXAZEXFGSA-N 436.843 0.602 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1840182758 SZBAKYFPWPNQDI-GUWAZMKPSA-N 434.493 0.122 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187726 SGJWOSPLUCQKSV-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)no1 1840367221 UMHCOXSUFBJBME-KRWDZBQOSA-N 430.299 0.767 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1840369124 BVFPEYKUZSLZTD-ZBFHGGJFSA-N 434.262 0.672 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840591116 LFVVQTGWIJDFDT-UNEWFSDZSA-N 437.306 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C1 1841766190 GHAXAGGSWDJWGO-OAHLLOKOSA-N 437.541 0.572 50 20 ICGD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015705 VPURCQCKEOBUKL-MDZDMXLPSA-N 435.245 0.805 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403031 WXHQMJVTKUTDON-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)cc3nn[nH]c13)C2 1846385341 RYICBPPOUINKAI-UHFFFAOYSA-N 433.900 0.801 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1846385774 UOCIPZJDIANPIP-UHFFFAOYSA-N 443.464 0.661 50 20 ICGD Cc1cccc([C@@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)c1 725870942 DGQNVBMFWFBEQE-QGZVFWFLSA-N 429.477 0.722 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 725871865 HUGSLURFLXKJPY-UHFFFAOYSA-N 442.476 0.443 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1ccc(Br)cc1 726160558 GAJUXLMFXOZZDS-UHFFFAOYSA-N 446.323 0.771 50 20 ICGD O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NNC(=O)C(=O)N1CCCC1 726713953 ABQLVQIRUWZINJ-UHFFFAOYSA-N 445.501 0.940 50 20 ICGD O=C(COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 728322125 CLCHOJSJCOUDTK-WMLDXEAASA-N 431.445 0.166 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)o1 730766158 YLXIGVQXFCDFGU-UHFFFAOYSA-N 434.430 0.980 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1 730935406 TUEFZCCGSVXDHU-ZDUSSCGKSA-N 435.510 0.245 50 20 ICGD COCCN(CC(=O)NNC(=O)C(C)(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 744385936 RHZCWKGWKRMYPS-UHFFFAOYSA-N 446.508 0.226 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 744457763 UYMXGTLGEZTQSE-HOTGVXAUSA-N 426.429 0.428 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 744568628 VAVIRKFEWKCLOD-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 744919824 FWPAEUKWCDVZBU-LBPRGKRZSA-N 427.417 0.116 50 20 ICGD COc1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc(Cl)c1OCC(N)=O 745986169 DSSMKHOBVBBGDP-UHFFFAOYSA-N 429.824 0.952 50 20 ICGD COc1cc(C)nc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 746624037 RDWMINBISUHKBY-CYBMUJFWSA-N 447.473 0.874 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 747348832 SKRWJVNPUACDJG-KRWDZBQOSA-N 444.517 0.691 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 747493730 GSGWRJUQIANIEJ-UHFFFAOYSA-N 440.504 0.816 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ccc([N+](=O)[O-])cc2)s1 747981266 GSOMTTUGRGFCPP-UHFFFAOYSA-N 427.464 0.714 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)cc1OC 750009948 PAXWFYGCYNBRQW-UHFFFAOYSA-N 434.430 0.701 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 752689607 UIXCYLWSUQSCLG-SECBINFHSA-N 428.920 0.062 50 20 ICGD Nc1cccc(C(=O)CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 753468921 HOENCOQGNCVMFP-SFHVURJKSA-N 427.413 0.762 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1 753786379 SAAUEOVJPLVBJF-QGZVFWFLSA-N 426.539 0.128 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNc1ccc(C(F)(F)F)nn1 755198585 VKLXKCRMFSJGKD-UHFFFAOYSA-N 433.358 0.816 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1c[nH]c2ccc(I)cc2c1=O 755281650 LEGIYLTUCAMVAI-UHFFFAOYSA-N 437.197 0.860 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1cnc2ncccn12 755491344 XEBFUDXZXTUJBM-UHFFFAOYSA-N 442.501 0.833 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756657621 DPBBWKBHJASGCO-UHFFFAOYSA-N 436.856 0.870 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(-n3ccnn3)c2)c1 757735603 UUJZKJDTLJNEAE-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD C=C(C)Cn1c(SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnc1-c1ccco1 758029694 MYUZSVVLAJATDP-NSHDSACASA-N 442.523 0.291 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCS(=O)(=O)C2)c1 758663553 QCGUUNDDBSHRFE-AWEZNQCLSA-N 446.551 0.238 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 762949514 CPLGXLFPWDVSQV-XOYXNHQRSA-N 437.456 0.697 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)n[nH]1 763151791 FTYNGTXJKQVNFM-UHFFFAOYSA-N 435.487 0.886 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1Cl 763570884 JPVBAKVZAJMOEC-OAHLLOKOSA-N 432.820 0.626 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)cc1 763862230 WHJGJMXQTJZHLK-CYBMUJFWSA-N 428.445 0.998 50 20 ICGD Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917587 YQNQKGCLNNNYQA-UHFFFAOYSA-N 437.464 0.843 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1C#Cc1ccccc1 764002579 OADQWZKCNRFCEZ-QGZVFWFLSA-N 425.466 0.607 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cn1C 764005304 XULKYNXNBSDKFV-UHFFFAOYSA-N 440.254 0.703 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764165347 XHCQWMIOPOGYMK-QGZVFWFLSA-N 433.428 0.765 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764168511 QATWUGAPKQRZEH-OAHLLOKOSA-N 439.457 0.474 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 764213115 UKCVYYHPRMJEAV-UHFFFAOYSA-N 437.254 0.679 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)cc3cccnc23)n(C)c1=O 764812704 OZWZBOZNVICNDX-UHFFFAOYSA-N 425.836 0.786 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)NCC(F)(F)F)CC2)cc1 765312266 BOEFSOQXYVHGGF-UHFFFAOYSA-N 437.444 0.194 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)n(-c2ncccn2)n1 768240754 AHDROOKFZIDIPG-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD Cn1c(=O)c2c(ncn2CCOC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n(C)c1=O 769983768 XJKDOPSHJVVFNT-PSVSLLHZSA-N 425.283 0.931 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771609224 XECNQNODYIWWRH-UHFFFAOYSA-N 445.906 0.369 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 778437221 ZNNLBCFCJXOOBH-UHFFFAOYSA-N 439.494 0.177 50 20 ICGD Cn1cc(-c2nc([C@@H]3COCCN3CC(=O)NNC(=O)c3ccccc3Cl)no2)cn1 779844856 SQJUKUNLRNHOBL-HNNXBMFYSA-N 445.867 0.958 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(OC)c(Br)cc1OC 780402167 OPNXTCOCSNSASC-UHFFFAOYSA-N 426.245 0.132 50 20 ICGD CCOc1ccc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 781445780 QJKOPIKOZPGMQI-GOSISDBHSA-N 430.413 0.995 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)sc2ccccc21 783349665 MTWBPYVYXBRLSU-LLVKDONJSA-N 434.503 0.367 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)nn1-c1ccccc1Cl 783425171 BRVOSYOPOYUXEQ-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccnc(Br)c2)cc1 784828899 PVOHLCGPBPYGDU-UHFFFAOYSA-N 428.268 0.834 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 785976762 DJTPCVJPJINMRO-OCCSQVGLSA-N 434.449 0.943 50 20 ICGD CN1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2C1=O 787101004 RITBHNKGGRRYNS-MAUKXSAKSA-N 439.424 0.386 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC 797535619 PCIOVEIXJIGBKV-MRVPVSSYSA-N 436.248 0.917 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 803948049 PRRBARGTSIOSAV-MRXNPFEDSA-N 446.460 0.888 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc2n(n1)CCCC2 806719723 OQXJJNRWVMICDH-UHFFFAOYSA-N 448.505 0.707 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 814344172 YHDRNAJWSFGMJC-SWLSCSKDSA-N 426.451 0.322 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 912924812 RFHBXTLNGKTVQS-BETUJISGSA-N 432.930 0.265 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 912924813 RFHBXTLNGKTVQS-CHWSQXEVSA-N 432.930 0.265 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 915898646 NFLCDWWNAVDUNI-CQSZACIVSA-N 433.490 0.808 50 20 ICGD O=C(NNC(=O)c1cc2c(cn1)OCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1320266953 PPEBPXUMENZQHD-UHFFFAOYSA-N 446.485 0.502 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 1325400018 HFCRAQHESYSBKZ-UHFFFAOYSA-N 439.877 0.795 50 20 ICGD Cc1c(Br)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1780363338 DNRWGXGLCZEWJW-BDJLRTHQSA-N 449.733 0.534 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](F)Cl)C4)CC2)CC1 1780648707 YVVHDZSQIGYSOR-JTDSTZFVSA-N 430.952 0.815 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1781904130 JHHYLFDSOUHHSO-SZOQZIPDSA-N 443.346 0.922 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1783934219 BKVJCLWMKPYQQL-NRFANRHFSA-N 428.493 0.379 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783943408 XYGIXOXNDHZNEL-LLVKDONJSA-N 425.162 0.975 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784063446 NSOOHGDYEUOHCK-JOCHJYFZSA-N 434.512 0.880 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21)[C@H](O)CCl 1784084140 LWZIXBQUYQKZNJ-LLLHUVSDSA-N 425.869 0.717 50 20 ICGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)n1 1786406495 WNWWKZVNMLMHCA-SRVKXCTJSA-N 429.319 0.084 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C[C@@H]21 1787506552 GDJDARQMPFXXQT-BPOXOXDZSA-N 444.536 0.194 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1789872432 WLQVLRAVGBDKCA-NUXNZHGMSA-N 431.320 0.459 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1790960809 ACBNGRSUHBEWOT-YHQUGGNUSA-N 433.347 0.587 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791063398 HFRSBPVWSIQQBL-LAIFWZPXSA-N 435.315 0.365 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792524995 OETSYUGBJQMDSQ-CWPLJXCYSA-N 449.511 0.620 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792981603 NRCZIWSDVSACDO-RBGFHDKUSA-N 445.944 0.433 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793704629 FIEJMPXUVPWOKS-QDMKHBRRSA-N 430.509 0.099 50 20 ICGD Cc1cnc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1794966587 PEPFROULXCXUDR-JLVBRIDZSA-N 443.696 0.240 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1795131298 WPDONMQQFZQPDH-FEJSZKPUSA-N 446.548 0.590 50 20 ICGD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc2ccccc21 1795738730 BNPFZBQCRGOQJW-OPMZPASUSA-N 447.300 0.375 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2c(c1)CNC2=O 1796191546 XBTDOVQILFGAEO-REPLKXPHSA-N 433.273 0.175 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2 1796440191 HGBVJAIMMUIGNJ-RUUUSXTRSA-N 438.488 0.348 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1796840105 ZLJKKMBQOXOGKI-AIEDFZFUSA-N 433.933 0.764 50 20 ICGD CN1CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798440392 ZVDBHMPPVQYVMS-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccn2)[nH]n1)c1ccc(B(O)O)cc1 1798853219 NDEAZYWKLBMGSQ-BCDXTJNWSA-N 445.288 0.717 50 20 ICGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(Cl)Cl)C4)cc2C1 1800130339 GIWPIVNNFRWGDE-JJLQDPRZSA-N 430.336 0.726 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800757899 VNVARZWBVXDLGI-RXGFPQBGSA-N 425.345 0.040 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCCC1(F)F)C2 1801011620 SLLWUFHLOXVLPH-CSHUHZATSA-N 448.486 0.867 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)n1ccnn1 1801335839 FVHORPZMGOMXRG-GNUOBCGASA-N 426.481 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779214 IUABOIHABMDXQN-RXVVDRJESA-N 446.272 0.028 50 20 ICGD COC(=O)CSCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806037427 YRJVVNPLIZIISR-UHFFFAOYSA-N 448.350 0.117 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807362762 IXWZLSJEUMWTNK-UWJYYQICSA-N 447.304 0.680 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369902 YNVFHUTUBAFQRS-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1808777263 DFUUCGIAPKUZKM-FIKGOQFSSA-N 444.536 0.081 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1 1809980008 JWQCTYCIDIKSTB-SFHVURJKSA-N 438.337 0.977 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H]1c1cccnc1 1813068579 OFWDOWLRMOGUAH-IPJJNNNSSA-N 444.580 0.945 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814887851 QAGQPLFVUYKGTI-CQSZACIVSA-N 430.339 0.437 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817474774 FPQJAVSRXVPINQ-IBGZPJMESA-N 449.276 0.739 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)CC1 1822000823 LYZDYZTVAWKXMC-CQSZACIVSA-N 434.497 0.728 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825319792 ODUZVKMZLNEKAP-GFCCVEGCSA-N 432.974 0.607 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829618400 PXGNKBOGSGRRMZ-QFBILLFUSA-N 441.868 0.193 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722385 AUGPJMFHSSRLDX-DNVCBOLYSA-N 444.937 0.743 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738263 NFSXPKCNUSWJCV-YLJYHZDGSA-N 436.896 0.092 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)[C@@H](O)CCl 1833310899 XXZDGNDVMXFBIK-ZDUSSCGKSA-N 428.877 0.103 50 20 ICGD CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1C(=O)O 1833606402 HOKWVUVWCLXQCG-KBXCAEBGSA-N 446.863 0.767 50 20 ICGD Cc1occc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834180095 MNEREYWVELNEPR-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD CC(C)(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834781955 UABRLABWZQUDGJ-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798038 XLTOEHYKLLBESN-UHFFFAOYSA-N 449.360 0.794 50 20 ICGD C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835805319 AAMNOURFRSEDFR-RHSMWYFYSA-N 426.949 0.086 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200213 DMVYJTQYBGTBCY-SMDDNHRTSA-N 437.291 0.607 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839967517 PCGWHYLFKILNSZ-KWDXZQLTSA-N 433.299 0.647 50 20 ICGD N[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840187899 DERTUXUBOVPXDB-KSSFIOAISA-N 431.320 0.732 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cncn1C)C2)NC(=O)NCc1ccccc1 1845038487 IJHLZNQXBBAUEZ-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 21967817 QPDDJPXBTDZKIK-UHFFFAOYSA-N 425.492 0.426 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 22636005 XWEDKHRAPRJRJU-UHFFFAOYSA-N 445.423 0.930 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 22976346 DUMSDZJHHDCDRK-UHFFFAOYSA-N 444.517 0.975 50 20 ICGD COc1ccc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1F 725872703 QUPPBSIJPKYPQZ-UHFFFAOYSA-N 433.440 0.716 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3ccccc3)cc2)CC1 728214157 ZDRXCHDTDUVBBL-UHFFFAOYSA-N 431.518 0.496 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)CC1 728215794 JDKSKBDKRDNJMB-UHFFFAOYSA-N 437.482 0.261 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 728729343 NWEIIFXTSDGJBT-LLVKDONJSA-N 443.478 0.686 50 20 ICGD Cc1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)nc2c1c(=O)n(C)c(=O)n2C 737469045 AVOATKHUROLNLZ-UHFFFAOYSA-N 425.489 0.918 50 20 ICGD C#CCSCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 740488125 ZJRGANWZXDUFHU-UHFFFAOYSA-N 426.520 0.018 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2ccc(F)cc2Br)cn1 743254061 JWOUPEKBBHUUHH-UHFFFAOYSA-N 435.231 0.581 50 20 ICGD O=C(Cn1ncc2ccccc2c1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620017 DUYOBOQEUTYOLM-UHFFFAOYSA-N 443.485 0.561 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 746096520 JHIJOZFLUJWOEZ-QGZVFWFLSA-N 438.440 0.452 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)c1C 746326178 NTADRTYHFBPODW-HNNXBMFYSA-N 435.506 0.775 50 20 ICGD CN(CC(=O)NNc1nc(Br)cn2ccnc12)S(=O)(=O)c1cccnc1 750250764 YKVIFMGUUVDBDV-UHFFFAOYSA-N 440.283 0.651 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 757724376 GCAYDXVIPFYWPU-VIFPVBQESA-N 432.384 0.874 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 760159997 XPLPAVZDVDVQED-HUUCEWRRSA-N 426.539 0.174 50 20 ICGD CCc1ncc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 763373878 NLWSVACGLFGRPP-UHFFFAOYSA-N 437.547 0.473 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763572303 QHXZCYWEIMWXDZ-QGZVFWFLSA-N 441.444 0.153 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2C)cc1 763739042 XWWMKPWPGRJNPZ-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 763804915 XHIDGXVTQBHEJM-UHFFFAOYSA-N 441.400 0.669 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763838102 NKVFKZXGQSVANC-UHFFFAOYSA-N 427.396 0.664 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CSc2ccccc2O)ccc1OC 764045342 JQSLRSQNGZCTAX-UHFFFAOYSA-N 425.488 0.862 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764224054 OTHARFMRRGUMQT-UHFFFAOYSA-N 437.456 0.847 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 764225710 CMERADOFOBDTJK-SUMWQHHRSA-N 443.485 0.366 50 20 ICGD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227093 MCDXKOYNYGBQLF-KBPBESRZSA-N 439.538 0.397 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 764350290 CEKZLSMZRBLXNU-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ncn(C)c3Cl)CC2)cc1 765128381 VCLYTFTWQGDLMH-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737521 FUZRXTWVIMMHFQ-UHFFFAOYSA-N 428.493 0.021 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCC2CCS(=O)(=O)CC2)nc1 768983019 SOUNONOWEMIFNK-UHFFFAOYSA-N 433.556 0.609 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(OC)ccc1Br 770173877 HFLUIFQQFJOUBZ-UHFFFAOYSA-N 438.300 0.175 50 20 ICGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772188748 VNRMTZXELNXDAN-UHFFFAOYSA-N 432.820 0.262 50 20 ICGD O=C1C[C@H](Cc2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)C(=O)N1 772885232 XIGZYHRGZZJMRE-HNNXBMFYSA-N 442.859 0.623 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 778711087 UYSGBZRIBBLWIR-JTQLQIEISA-N 446.913 0.685 50 20 ICGD CCN(Cc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1)C(=O)OC(C)(C)C 782966578 OFENYLPHTWSDCK-UHFFFAOYSA-N 447.492 0.808 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c(OC)n1 783265634 WGCGVOYDSPLOKB-UHFFFAOYSA-N 438.466 0.262 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NN=c3cc[nH]cc3)cc2)C[C@H](C)O1 783378710 LJXRUCWCUOKGDO-KBPBESRZSA-N 433.490 0.383 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNc2nc3ccc(OC)cc3cc2C)cc1C 785164744 XIUYGQSCSMESON-UHFFFAOYSA-N 425.449 0.885 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(Br)cc1N1CCOCC1 788713940 MRDHNCBGHQOXLG-LLVKDONJSA-N 433.328 0.674 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnn1CC1CCCC1 789187522 FIMFWLIITFJFPZ-KRWDZBQOSA-N 443.460 0.921 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 792698179 LBYQRTOQARKCQE-UHFFFAOYSA-N 441.384 0.898 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@@H]1CCS(=O)(=O)C1 792855067 NYHYJEWFCDBUFT-DOTOQJQBSA-N 433.534 0.907 50 20 ICGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 793776250 ZDRLVOMFQIJYKJ-UHFFFAOYSA-N 445.343 0.663 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC 794831749 ISBSYPGBSWPDRJ-MRXNPFEDSA-N 425.445 0.885 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2)C[C@@H](C)O1 802031722 HRMKRNWEAUZTLN-ZIAGYGMSSA-N 433.490 0.768 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(C)cc1Br 806978655 IHKQBVOTZWIKPM-UHFFFAOYSA-N 438.238 0.596 50 20 ICGD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 807528643 ICWYRZAOIBCHNZ-GFCCVEGCSA-N 429.455 0.118 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C 810385940 GBHWPSRUDRPTED-UHFFFAOYSA-N 441.379 0.296 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC 812731437 IMOVQZHBUVANLJ-UHFFFAOYSA-N 442.519 0.611 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1OC 914600738 HBPGFLRQJNOWNO-UHFFFAOYSA-N 436.490 0.935 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1-c1ccc(F)cc1 915617730 YOPCDIIPUIDNQB-LBPRGKRZSA-N 427.479 0.606 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1C[C@H](C)O[C@H](C)C1 916249715 HGLYPPPAIGSPHA-OKILXGFUSA-N 440.570 0.731 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C1 919650723 JXEBGUNKOJRPTA-ZDUSSCGKSA-N 431.898 0.706 50 20 ICGD CC(C)(C)OC(=O)NCc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919883295 CFFOQSISZAYIHF-AWEZNQCLSA-N 426.495 0.842 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921020678 WWXFYJKHGDQEDX-UHFFFAOYSA-N 442.494 0.731 50 20 ICGD CC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1115850356 OJBOWUMDLUEZAO-UHFFFAOYSA-N 437.522 0.426 50 20 ICGD C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)C(F)(F)F 1781807759 DDSLEALWVQAWOM-RDTXWAMCSA-N 434.459 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214534 UTEFLAPUZYTXQQ-QMTMVMCOSA-N 432.949 0.127 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938100 UEBFWDDZHBGYFK-JOCHJYFZSA-N 434.512 0.880 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)N1CSCSC1 1784091393 RWUCKCQNUKYLNH-QTVXIADOSA-N 438.015 0.609 50 20 ICGD Cc1nccn1CCCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784411333 FOJFZGWGUOCIRO-NRFANRHFSA-N 434.541 0.175 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1)NC(=O)NCc1ccccc1 1784909360 BWOSYJAVFLRKNC-QFIPXVFZSA-N 429.521 0.573 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cnccc13)C2)c1cccc(B(O)O)c1 1795738845 HWJDKPPVVPUVSI-OPMZPASUSA-N 445.284 0.432 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(C)(C)C 1795966127 PILXYXNNBWKWFM-CWPLJXCYSA-N 445.564 0.955 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(-c2ccccc2)n1)c1cccc(B(O)O)c1 1797003041 JXXFFBAGNADMNU-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1800640857 JINVXGKPJZOIIR-FQLMCAECSA-N 443.342 0.906 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800641714 IFLPVMMFMALFEJ-DTHBNOIPSA-N 445.232 0.855 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1800673273 XFQCOKGOFYZHKQ-XOIINTDNSA-N 429.590 0.952 50 20 ICGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1O 1801012537 NXBPGULAAKKHKZ-YVWYUNDQSA-N 448.520 0.367 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)C1 1801051896 JRAXHAOZZIGPMX-UUUMGPIQSA-N 449.907 0.482 50 20 ICGD NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)cc1 1801657055 OFBGLUMNQLXJPI-CRWXNKLISA-N 428.258 0.679 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803135728 GPTLYTQKXGYSFZ-DOXZYTNZSA-N 434.880 0.002 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@H](O)c3ccco3)C2)CC1 1804891747 BKINRAWRGNPXIL-GOSISDBHSA-N 441.488 0.857 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccnc1 1805462850 ITGSJNNPHHADAA-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805810837 IEPMWBKTTHXAQF-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD CCc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361775 CZGGCTJTABPEDM-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)nn1C 1807365580 YYSFQDOHULGEAB-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369111 AYOIVEOAGWZPAU-RXVVDRJESA-N 446.272 0.028 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807369600 PNHHALSCLSKQID-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371214 RDTALNSCMZMCSZ-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1813069811 CCMZAJOVXUPUMO-VGOFRKELSA-N 439.520 0.493 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)O 1814095063 PXWDZSUUYMGTOC-MMPCJXBDSA-N 437.261 0.112 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(F)c[nH]1)CC2)c1ccc(B(O)O)cc1 1815348601 RLVWANXQZPWFQD-CYBMUJFWSA-N 428.254 0.830 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3cncnc3)sc2C1 1815539368 HQLFBEBMSQEIBS-CQSZACIVSA-N 445.549 0.851 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667477 ZZJQFFMYOZZCCV-GXSJLCMTSA-N 441.286 0.737 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)CC1 1825132350 APXVBMARSHMXGA-NRFANRHFSA-N 438.337 0.956 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827049165 ORHQWBYNNBXJPH-AZUAARDMSA-N 441.337 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1828924678 XMXOBEKEUJKJFT-YJBOKZPZSA-N 442.520 0.055 50 20 ICGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829052607 PJPABEMSTIIADE-QFBILLFUSA-N 426.876 0.932 50 20 ICGD O=C(CCCc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727054 ZWQGJYLQCIMZOX-XLIONFOSSA-N 425.913 0.460 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830737758 ISNTUKKUNWKRAC-FYINFDKHSA-N 435.908 0.983 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831643757 GOGDEJYTLYJSDN-YWZLYKJASA-N 425.913 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833387428 MREXHKSHCJPJJU-MRXNPFEDSA-N 430.933 0.264 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833505457 DXFGXBZKQIEMEY-IBGZPJMESA-N 438.557 0.407 50 20 ICGD CO[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1835277425 BSIIQJFCSJUGNH-FUHIMQAGSA-N 426.897 0.430 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835997745 AHLRVQULNSPMOR-RBUKOAKNSA-N 446.331 0.541 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836186954 DQQFBUPMWCKZQD-SFHVURJKSA-N 426.311 0.866 50 20 ICGD O=C(c1cc(O)nc(O)n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718381 WPIZRRCCGAWYGK-CQSZACIVSA-N 428.873 0.100 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839966511 HKBNYFMPNBBXNU-QWQRMKEZSA-N 446.342 0.143 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840153147 FXJIOIHBQGMMFS-FLSHMKOJSA-N 427.885 0.409 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012213 PHTRDOCJDUZIKS-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844995460 GRJPUSUYMLEEBB-UHFFFAOYSA-N 444.337 0.941 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1OC 10594940 ZAKHBOFQZGWMJA-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1OC 21190158 QVULXDXVPYDQGS-UHFFFAOYSA-N 432.458 0.546 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2 726871217 HYYKADMAAZOCRJ-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CCCc2ccccc2)c1 727741008 BCYDPSCROAMHSH-UHFFFAOYSA-N 446.529 0.955 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728983648 OLOHJTJDOSVMRH-UHFFFAOYSA-N 438.554 0.339 50 20 ICGD CC(C)(CNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)NS(C)(=O)=O 731761571 RSEFRXHNRYEVKZ-UHFFFAOYSA-N 432.446 0.934 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CN(C)CCN1C 732238316 TZCGVFVTWFBRHH-GXTWGEPZSA-N 428.331 0.793 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734239530 RGCQHNAPPQSSJZ-UHFFFAOYSA-N 447.489 0.545 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1-n1cncn1 742036957 ROLQMBDQITZVRG-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 742037446 XKXYEXJNGRXLBI-AAEUAGOBSA-N 441.485 0.458 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cn1 742255951 ZXAMYMMEFVAGSO-UHFFFAOYSA-N 434.430 0.851 50 20 ICGD CCn1c(NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc2ccccc2c1=O 742518792 FYTORFYMIREBBU-MUIFIZLQSA-N 425.445 0.412 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc(OC)c1OC 743505459 BMTASJJGKMQGCC-ZDUSSCGKSA-N 446.464 0.504 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCOCCS(C)(=O)=O)cc1Br 743604482 LJEUDQMIRSSNET-UHFFFAOYSA-N 438.300 0.463 50 20 ICGD CC(C)NC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 745146487 WXCXQMHDTUYEDF-MRXNPFEDSA-N 428.511 0.890 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 751206847 VYDHWANYLGMDTP-AWEZNQCLSA-N 431.453 0.543 50 20 ICGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 755104393 XQGNCYQQUKZMKD-UHFFFAOYSA-N 444.455 0.901 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cn(-c3ccccc3)nn2)c1 756071160 ILAFXBAWKPWTNC-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3ccccc3O)cn2)CC1 756548761 KZYUIWXRQFSXHR-UHFFFAOYSA-N 434.478 0.335 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 756931813 POERYURICOWVDJ-MRXNPFEDSA-N 427.461 0.574 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758536428 WCGSYRBWTQRKQF-UHFFFAOYSA-N 440.341 0.498 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2Br)nn1)C(=O)Nc1ccccn1 758839022 AVMKCXCUPSJLNT-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 759487755 XDDYTPJXWPCKKN-OAHLLOKOSA-N 425.511 0.459 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12CCCO2 760142849 NQUZZHNRERBYDZ-MDZRGWNJSA-N 440.522 0.608 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1-c1ccc(F)cc1 763818175 BWGGNFXMAWVGAQ-UHFFFAOYSA-N 443.460 0.997 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763866118 UAKYXWHGTCAUAS-GFCCVEGCSA-N 432.408 0.504 50 20 ICGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 763916256 FKUDWYDXTZLGCH-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)n1 764153502 KXYGHGUAYHOLBQ-KRWDZBQOSA-N 434.387 0.973 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764163497 JXEUIGAEMWKNLF-KRWDZBQOSA-N 426.429 0.974 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cc2)c1=O 764371066 WDGABHOZZXFADK-UHFFFAOYSA-N 446.370 0.329 50 20 ICGD O=C(Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1)Nc1ccccc1F 764424958 LBECBWDTADWQEL-QGZVFWFLSA-N 444.419 0.508 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 764564442 SWIGJBDSTIBTGN-QWHCGFSZSA-N 434.449 0.979 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 765310439 GDJYMQMNUBCTSW-UHFFFAOYSA-N 446.464 0.898 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cnn(-c2ccccc2)c1 765536165 SNELPNXGFNTSJC-UHFFFAOYSA-N 448.487 0.552 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)n[nH]2)cc1C 765566776 LFIVYIBKWYHXOG-UHFFFAOYSA-N 437.522 0.799 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2c(C)nn(C)c2n1 765739572 YPKHAGXJEQHVBT-UHFFFAOYSA-N 449.515 0.804 50 20 ICGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896926 DEOFATDMEVCXNW-UHFFFAOYSA-N 430.895 0.144 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772955242 SFDRMDJWPFBDAE-DBUDRKNWSA-N 435.864 0.806 50 20 ICGD O=C(NNC(=O)N1CCC(c2nnc3n2CCCC3)CC1)c1ccc(-n2cnnn2)cc1 773133232 WSDMPWZWCCSIBN-UHFFFAOYSA-N 436.480 0.824 50 20 ICGD CCOC(=O)/C(C#N)=C/NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773149095 KOYOZZZILZTUEP-OUKQBFOZSA-N 431.492 0.351 50 20 ICGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)COCc2ccccc2)cc1 773583011 QZFFQVCMABUHJX-UHFFFAOYSA-N 436.490 0.984 50 20 ICGD COC(=O)CNC(=O)NN=C(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 779823512 RQCAOIQBONIQEK-HNNXBMFYSA-N 440.478 0.511 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)nc1 783258994 SNQIADITNMZYOB-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427118 PWRIHRNZXAGHET-OAHLLOKOSA-N 437.396 0.629 50 20 ICGD Cc1nc(Cn2cc(C(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)nn2)no1 786652772 IIUYDRDRNLPBCD-UHFFFAOYSA-N 437.420 0.383 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 789047577 YZOQYZOJPSELLY-NRFANRHFSA-N 448.443 0.199 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789816927 GWOKTXFJJUGQNJ-ROUUACIJSA-N 435.444 0.629 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 790384683 PRVMUQRSSDNAKB-UHFFFAOYSA-N 446.551 0.085 50 20 ICGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cn2)cc1 793050957 RDWCPLHJLQJELX-UHFFFAOYSA-N 447.455 0.916 50 20 ICGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 793387150 BLGCVJFJPZCZST-UHFFFAOYSA-N 441.487 0.421 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 794763499 FZEDANDOUCIONW-UHFFFAOYSA-N 431.474 0.684 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(C)c1 796991238 BIMFDNHEXKBDOM-UHFFFAOYSA-N 442.472 0.902 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C 798309070 GMMFWJAGCOSLLI-UHFFFAOYSA-N 443.485 0.813 50 20 ICGD O=C(/C=C\c1ccccc1)NCCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857764 XJZWQRAANVUFRS-GHXNOFRVSA-N 434.460 0.826 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 802055267 GQGWEDRJPNFJNK-UHFFFAOYSA-N 447.473 0.282 50 20 ICGD Cc1cc(CN2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)no1 807129398 BUWWOGCGCGYXNX-UHFFFAOYSA-N 435.510 0.448 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 807460920 NIOQTQPGENVLER-OAHLLOKOSA-N 437.522 0.714 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)o1 808098604 QSAUOIYASQDIPO-UHFFFAOYSA-N 437.909 0.932 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 812730596 OJSCOSLCSWXRQE-UHFFFAOYSA-N 437.503 0.230 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)s1 814333131 IGPXGEBDDRROMP-VWYCJHECSA-N 435.514 0.248 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)nc2ccccc21 815582235 AVGZOQRIVGUIRH-UHFFFAOYSA-N 432.444 0.542 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1 816810186 BXKGCXAWBCUFCH-NRFANRHFSA-N 444.513 0.546 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 912924830 SQPCSPLWJYFFQX-BETUJISGSA-N 446.957 0.851 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccccn1 914748242 PYEPSTLUJJVLFS-UHFFFAOYSA-N 428.474 0.901 50 20 ICGD O=C(NCCOc1ccccc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915895585 RMRBEMSROGCMJF-UHFFFAOYSA-N 448.501 0.731 50 20 ICGD O=C(Cc1ccc2ccccc2c1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 917196471 SWMTYZNNRFALJO-KRWDZBQOSA-N 442.497 0.695 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc(C)c(Cl)c2C)cc1 918292969 RIPMAJBGOVOXLF-UHFFFAOYSA-N 427.914 0.930 50 20 ICGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1326427919 FKNICMGGDUZGHV-UHFFFAOYSA-N 440.508 0.120 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778885248 IHMCDCSMAQGOPZ-AOMKIAJQSA-N 427.505 0.897 50 20 ICGD CC(C)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032775 UZGQLIFYUKRVSY-OAQYLSRUSA-N 441.492 0.289 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779410294 METSMPJYRDYKPE-OXFYSEKESA-N 431.961 0.416 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)[nH]n1 1779570672 CWPDXLMRHUEPSW-JOCHJYFZSA-N 440.309 0.144 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1781905002 IVMAKISKCVDHCB-UYAYXHRUSA-N 430.343 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)OCCO3)CCO2 1783934657 KFDUPWGPRYOWML-QFIPXVFZSA-N 446.504 0.274 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc(-c2ccccn2)nc1 1785509048 ODDPFLIJZLCLDX-IKICRFKJSA-N 445.907 0.732 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786113753 USXLQCYVPRMLBH-RAKJEAAFSA-N 439.476 0.204 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790177153 NOCLRGBEJKDPTI-ACBVQSGHSA-N 439.896 0.336 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1793449107 RXCHXYMUQONSIG-XRGAULLZSA-N 435.912 0.942 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362652 AOSOPWXRGYRINK-AICCOOGYSA-N 449.907 0.746 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796739936 QHOAPZCKNGZIPV-KHMAMNHCSA-N 433.933 0.764 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797669792 FTODOJGPRNTQOV-PZTGFMGMSA-N 431.537 0.450 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815121 IZTSENFQZHRUOR-XUWDSBLOSA-N 427.574 0.957 50 20 ICGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1800594598 LBLPYNBSXBUZLO-LOODEUFTSA-N 436.317 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801239305 DQXRIZZNTTXWEP-ZQKRRBMOSA-N 439.476 0.147 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br 1801964056 WSHMVCLYSRDFCM-SWMGHYKJSA-N 433.299 0.903 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ncnn3c1)C2 1802336127 DVAZJWFMZHGYLR-BJWYYQGGSA-N 427.509 0.283 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803503130 QOUZIOCCNKBSEL-SLBVQIDZSA-N 446.957 0.015 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804501897 ZFRTXZPJKGKBSK-KNQAVFIVSA-N 447.304 0.437 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)c1 1805518350 OJUMSKKOPFZODE-INIZCTEOSA-N 443.953 0.930 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CN(C)C)[C@@H]1c1cccnc1 1806457613 ODNQREJXZHAXAW-QGJUGNDFSA-N 439.520 0.783 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807364199 SNZVMQXRWRAJJF-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365379 ORHOILAZSRKMKB-AZUAARDMSA-N 437.305 0.696 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375340 SMOABCNBZULGJQ-RXVVDRJESA-N 437.305 0.386 50 20 ICGD Cc1nnc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)s1 1809976558 FNAJCNLWQKTLEF-UHFFFAOYSA-N 442.350 0.614 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 1809978424 BYXCFWKXBBGLKK-UHFFFAOYSA-N 441.253 0.156 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1 1810302075 FNWMOXSDWJPFHJ-BBRMVZONSA-N 436.432 0.097 50 20 ICGD O=C(CCN1CCCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347511 AZYKGXOLQOUISE-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnn2)[nH]n1 1819403658 ZGYGOZSGBOEUGZ-INIZCTEOSA-N 435.448 0.818 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822369881 RVGBWSQVYXBEOM-ZBFHGGJFSA-N 434.689 0.649 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1CCCOC1 1823464747 GUBWMESBAZVBQB-CRAIPNDOSA-N 426.282 0.822 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1824185550 YKHOSPZGYWWBHM-BHIYHBOVSA-N 429.005 0.842 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cc[nH]n3)sc2C1 1824731002 XXBSWEZWUJHGFI-JTQLQIEISA-N 440.489 0.333 50 20 ICGD CNC(=S)NCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1826000203 OHKSXRHOEUJEJF-UWVGGRQHSA-N 433.987 0.793 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cccn1 1826092278 XEOXFZWPXROLAQ-QWHCGFSZSA-N 433.538 0.886 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719531 FQQMIBZINULUOT-HNAYVOBHSA-N 427.885 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833134077 XFXGMKFDWCDGQE-FXAWDEMLSA-N 425.913 0.643 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833503726 KIEILWATZRLNOQ-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833571610 PCTPFWIMCMYNPK-KRWDZBQOSA-N 425.961 0.822 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834584584 NVRKMXYXMLVDLC-UGSOOPFHSA-N 442.310 0.888 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1834843817 LWLYQEXAVVODKQ-RXVVDRJESA-N 440.924 0.684 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1837588648 BDOJGUXIZAGIGA-HOCLYGCPSA-N 433.278 0.408 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1838279614 JJSBKBNXSRLRHI-SCLBCKFNSA-N 443.342 0.836 50 20 ICGD CN(C)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838922696 KJLIAOZJLGBBJR-PXNSSMCTSA-N 425.913 0.422 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839152355 WWUYLUYMFBEBPN-QZTJIDSGSA-N 436.336 0.302 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198067 RNQFLAVELJXIJL-WBMJQRKESA-N 449.277 0.189 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839965625 FTUIQSFVXFFRSO-BDJLRTHQSA-N 432.271 0.624 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840105613 HKEDVXRPNNUIQM-FQEVSTJZSA-N 441.601 0.307 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840156746 YSYSKWMNPTWJKT-APWZRJJASA-N 428.917 0.374 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC=CCC1)CCO2 1840558242 SHYXCNLOZQVOIG-FCHUYYIVSA-N 436.553 0.562 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840602518 IDWYKFXLVNBOEM-QHCPKHFHSA-N 442.321 0.017 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@H]1O 1847597804 OJRNFJGBNCEINC-MYGLTJDJSA-N 434.301 0.478 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847644120 LRHTTYIJKGELET-AJNGGQMLSA-N 433.933 0.718 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 3549886 FXOSBLWBDQOZPF-UHFFFAOYSA-N 438.531 0.970 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 14329307 YDPFEDYTWKHEBC-KUHUBIRLSA-N 433.486 0.991 50 20 ICGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 21900730 GEZFTOWQIFBJBR-ZDUSSCGKSA-N 434.474 0.644 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1O 107685605 BBDPUWBCUZRINO-UHFFFAOYSA-N 442.475 0.095 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1 728210946 NXOMQOVRRXFQRZ-MRXNPFEDSA-N 430.490 0.760 50 20 ICGD CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 729512245 GOEPYABWVGFQJO-LSDHHAIUSA-N 425.507 0.705 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 731494236 UZJMWXGNLBAMIX-AWEZNQCLSA-N 435.506 0.897 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1Br 732036114 WSRBQBOYVKDOHI-UHFFFAOYSA-N 425.195 0.989 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OCC(N)=O 732263865 PJRWICXCRUFQMF-TXEJJXNPSA-N 442.900 0.473 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NNC(=O)c1cccs1 733559439 SULVRCFLADLEND-SNVBAGLBSA-N 436.402 0.858 50 20 ICGD CN(CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1=NS(=O)(=O)c2ccccc21 741889831 RIHOURLFXWWFEE-CQSZACIVSA-N 442.563 0.340 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1O 743317599 WCFJRWGHXDRPCD-UHFFFAOYSA-N 435.458 0.338 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 748620617 RSFDETHIHOFUKB-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD CC(C)(C)CCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 748673465 ABRYHUQAYNVNLW-UHFFFAOYSA-N 433.552 0.708 50 20 ICGD CC(C)OCCCn1c(NNC(=O)c2cnc(O)n(C)c2=O)nc2ccccc2c1=O 751579935 AIVQOHOMRIKURB-UHFFFAOYSA-N 428.449 0.768 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)C(=O)N1CCCC1 751802718 KZBYUVNUXRQSLC-UHFFFAOYSA-N 432.864 0.964 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1=O 752007777 WGQMWWFBBKLYKF-ADLMAVQZSA-N 425.392 0.953 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 755615973 VQOMPDHEFGXBTR-NSHDSACASA-N 430.483 0.340 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccnc2N2CCOCC2)c1 756184148 SSVGQXRMUDPDDO-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD COCCn1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 756312123 VIGVILPATBOGFF-UHFFFAOYSA-N 436.494 0.781 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cc(-n3cnnn3)ccc2F)c2ccccc2c1=O 756336301 VAWLPUPTJREREC-UHFFFAOYSA-N 437.395 0.998 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ccc(C(=O)OC)cn2)c1 759734516 IUIDHEUAPRFUQP-UHFFFAOYSA-N 437.478 0.204 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(OCC(=O)N(C)C)c1 763472211 UBUOQGGXMPLTRV-UHFFFAOYSA-N 443.416 0.770 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763873107 QYRJWVTVQRZLFT-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 764204529 XSKJWFCBDFKJAU-UHFFFAOYSA-N 448.480 0.607 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc(OC)c1Br 764294761 AXUPCIYMXRZAID-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 764401005 SIBTWIJCUYVTCW-AWEZNQCLSA-N 434.493 0.805 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427962 GQOPSDHKCZLXST-GUYCJALGSA-N 432.477 0.368 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 765736849 BKQSHHHSNHCRQL-UHFFFAOYSA-N 430.486 0.754 50 20 ICGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 766743295 GOPSDPSFDHGYHV-UHFFFAOYSA-N 428.946 0.927 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 771851871 SNPLOAXPTBLBEL-LBPRGKRZSA-N 427.479 0.582 50 20 ICGD C[C@@H]1CN(CCOc2ccc(CCNC(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@H]1C 775455180 OXGDWOUJTWCYJA-HZPDHXFCSA-N 431.537 0.805 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)c(O)c1 775671793 BBXGMBOBMKFMCB-UHFFFAOYSA-N 434.396 0.955 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 784005139 QLXLRSLKGIFMDC-UHFFFAOYSA-N 431.474 0.980 50 20 ICGD CSC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 789603848 IYXJSFUFTPDOTG-UHFFFAOYSA-N 427.548 0.683 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nnnn1C1CC1 790714714 LEWJVUALFHCFIU-GFCCVEGCSA-N 448.509 0.498 50 20 ICGD CC(C)Cc1ncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cn1 792353547 OJBIWJUUZSBEDD-UHFFFAOYSA-N 435.510 0.839 50 20 ICGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792841554 ASKLROGJPCRJPJ-KXBFYZLASA-N 441.550 0.849 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(F)cc2Br)CC1 795366731 BUPZEKGXCCMBRA-UHFFFAOYSA-N 437.291 0.525 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 807454819 AABISVJPWHNGCQ-UHFFFAOYSA-N 431.409 0.040 50 20 ICGD COc1cc(C(C)=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)on1 814877420 NYORCCXRWDGVJO-UHFFFAOYSA-N 435.506 0.838 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCc2ccccc2)nc1 815692506 SJPWSLMRKHFBHA-HNNXBMFYSA-N 435.444 0.601 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2)cc1 864234538 SIJUBRCTDXJSDG-QGZVFWFLSA-N 445.306 0.812 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCC3(CC2)OCCO3)c1 916412972 YCTWYIWKYTYXLH-UHFFFAOYSA-N 426.495 0.567 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cncn1-c1ccccc1 1318313375 IUIXXYKPOTUNBH-CQSZACIVSA-N 425.536 0.694 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C2 1782172440 UVKKMQJHGXXOFI-RZQQEMMASA-N 431.961 0.916 50 20 ICGD CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210510 XJEUOAUORVZQLB-MOXGXCLJSA-N 428.599 0.828 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C[C@@H]21 1783961614 FZANFBGEKMALPX-UHEFJODHSA-N 449.460 0.884 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785013053 CHUFMBGQINMQSN-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1790961461 LFRQUWGWIHKXRR-VGWMRTNUSA-N 432.359 0.472 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncoc3c1)C2)c1ccc(B(O)O)cc1 1795734420 OOSCFAPFJJTGRZ-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737450 HCQFXNKWTXNVBE-JLVBRIDZSA-N 443.696 0.240 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571166 WQWXNMOEGANDTC-MMWGEVLESA-N 438.286 0.095 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796719489 RJXYUDQIUFXPMT-NWJSVONSSA-N 442.856 0.455 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1797531452 AJLHPZAYBZIUMD-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn1 1798959087 QWCODUWDHWZXHY-MUJYYYPQSA-N 437.504 0.712 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1799866723 WNTCJZWSQFSSHW-LTCOOKNTSA-N 433.896 0.379 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1800971111 QDWSWGOOFOVAHF-FAXLKDOZSA-N 441.941 0.485 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1805879765 BOBWYSYCHXJXOO-UZLBHIALSA-N 448.487 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1813071617 VMRSUIZNJZNQIY-MGPUTAFESA-N 441.492 0.270 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnc1 1817469728 DDFDXEUBYDADEC-KSSFIOAISA-N 436.281 0.853 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COc2cccnc2)[nH]n1)c1cccc(B(O)O)c1 1817474066 KWOKOLMJBTZBKF-LJQANCHMSA-N 449.276 0.869 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)no1 1825178774 LSPOIDCFJUSORA-IBGZPJMESA-N 440.309 0.534 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1826004134 CZSZOZDRCGJESX-ZJUUUORDSA-N 433.987 0.793 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cccn1 1826866858 ZWRQUHBHCPVVPS-QWHCGFSZSA-N 433.538 0.886 50 20 ICGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727868 ISWFNRVEKCZQFX-QRWLVFNGSA-N 440.880 0.128 50 20 ICGD O=C(c1cncc2cnccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731212 HXDCDDCFJYFKFY-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2c1 1830735488 HTUJRXCXLGMPIW-OXQOHEQNSA-N 447.879 0.104 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831201490 NLCRAZTXAIIMOA-HXUWFJFHSA-N 443.617 0.601 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668090 QDLZFUKLARTPPU-PXAZEXFGSA-N 429.267 0.702 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835129376 XNRBSASBGVUWRZ-KRWDZBQOSA-N 430.977 0.584 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836674036 ZUZRSLLEXOYOMO-ZQIUZPCESA-N 446.386 0.739 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837958328 QGCLWSLPYGRFMP-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839119464 GGCBKKIOCKYHQM-OLMNPRSZSA-N 432.359 0.616 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840151773 NGTZAMREAZHGFO-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840154135 MKQVNVQAWKVPDL-OXQOHEQNSA-N 442.896 0.725 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(C(F)(F)F)c1 1843013851 VSKHKEMRTPHUIY-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCS(=O)(=O)C1 16786001 QCJCLVPMCMURMB-ZBUUCQELSA-N 426.539 0.227 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)CNC(=O)c1cccs1 725742010 XOFJAVOIPLOLAE-UHFFFAOYSA-N 444.922 0.647 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2F)n1 728733066 PTRVOTMOOKWRDG-UHFFFAOYSA-N 429.451 0.541 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)cc1 729455837 CASMKWNWASVXSA-UHFFFAOYSA-N 428.430 0.883 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 733342585 MTQLJFGSOONMEC-UHFFFAOYSA-N 448.524 0.064 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 733516151 JJTZMCWBLKUOIB-CQSZACIVSA-N 432.437 0.970 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 734822173 SEVGUZHVMYUWMT-CYBMUJFWSA-N 433.531 0.140 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744550769 BKLIEKFGADBVCR-LRTDBIEQSA-N 441.444 0.363 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(Cl)cc1F 747330899 IDFFLRARBINPIL-UHFFFAOYSA-N 444.872 0.913 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)cnc21 748603113 SDVKWFHUWFZZNW-UHFFFAOYSA-N 446.489 0.868 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)oc1C 751142854 UDUBHVVBOQWDSU-UHFFFAOYSA-N 430.464 0.291 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C(=O)Nc1ccccn1 752081014 XYOPZUURPBLFMC-CYBMUJFWSA-N 445.863 0.748 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccccc3F)C2)nc1 753279501 MKIBNBVXKZQGNK-UHFFFAOYSA-N 431.424 0.995 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 756068659 VICWMLZZNHTQMW-UHFFFAOYSA-N 446.439 0.146 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c(C)o1 757630129 RUDMBOSKBPVTSL-UHFFFAOYSA-N 442.432 0.856 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2CN2CCOCC2)n1 758482518 SPOJVPBOIMEOKB-UHFFFAOYSA-N 432.502 0.831 50 20 ICGD C[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCS1 758859118 AMGNDFJMCOHTBS-SFHVURJKSA-N 442.563 0.937 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cnn1CCO[C@H]1CCCCO1 760119190 BSGGQGVZQJFUBD-FTRWYGJKSA-N 437.541 0.995 50 20 ICGD Cn1cc(-n2cc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)ccc2=O)cn1 760844788 BUIUELWWKMTXNX-UHFFFAOYSA-N 429.820 0.842 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2nccc(N3CCOCC3)n2)cc1 762862593 WPRMUFHULYVLHQ-UHFFFAOYSA-N 448.505 0.328 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 762907770 QOCOPDNWEADFAR-UHFFFAOYSA-N 447.521 0.200 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1OCC(N)=O 763648301 CBUVAWOMLHACGP-UHFFFAOYSA-N 444.444 0.341 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cn1 763686032 IYPQMFBAJVLCHP-UHFFFAOYSA-N 426.838 0.303 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 763848169 AFEXWTDIMMIESL-NSHDSACASA-N 427.396 0.663 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 763917502 VKMOUEISTJGVLM-UHFFFAOYSA-N 429.368 0.218 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1N1CCCCC1 764002470 MPZSOSQRFGLQQX-LBPRGKRZSA-N 426.470 0.337 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005567 BDEAUNVELRVNMR-UHFFFAOYSA-N 441.444 0.358 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2C(F)(F)F)C[C@H](C)O1 764211888 MQZVHYPAIJWSMI-RYUDHWBXSA-N 445.442 0.967 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC[C@H]2CNC(=O)OC(C)(C)C)n(C)c1=O 764812304 IPUKQKZTFCCXCT-LBPRGKRZSA-N 447.496 0.231 50 20 ICGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC(C)C 764813253 WNTDFDMQDRILOB-UHFFFAOYSA-N 442.476 0.627 50 20 ICGD O=C(CCCNC(=O)C1CC1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766659714 FXKUOKDZFHKJBD-UHFFFAOYSA-N 435.956 0.911 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 771988789 MEKJOSDWADHTHI-GFCCVEGCSA-N 429.495 0.828 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 772962807 FAULXRIUVYGDPX-LLVKDONJSA-N 445.863 0.823 50 20 ICGD C[C@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 775835907 CYIIJZFYGHXVCF-GJWQZFMSSA-N 438.488 0.219 50 20 ICGD CN(c1ccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 778667497 XQEXYTFPCFNKLQ-UHFFFAOYSA-N 429.499 0.438 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)[C@H](C)O)cc1 779535410 WQLZUTPOXCXBHB-SUMWQHHRSA-N 441.531 0.570 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 784003203 QZIKKTZWGCBOKP-UHFFFAOYSA-N 439.925 0.602 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1F 788046040 FSGAPZGJVXHQPT-UHFFFAOYSA-N 437.858 0.758 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 792365181 SHHIWVRJVRRZGS-UHFFFAOYSA-N 438.488 0.933 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2cc1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 792516950 RQPHPWZHKVHEPY-CQSZACIVSA-N 444.469 0.472 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 794063041 GSNCYEFMHLNACU-UHFFFAOYSA-N 439.428 0.397 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 794767303 OSAPUFQSXBUCKC-AWEZNQCLSA-N 442.538 0.924 50 20 ICGD Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 797069859 GAVADBYXPXNADM-UHFFFAOYSA-N 444.448 0.804 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1F 806977847 BBSULBCBIPUGHU-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 810391908 PIGAKHXJFKAMHO-UHFFFAOYSA-N 448.461 0.850 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1OC 916245457 ACGGSHBFAJQUSF-UHFFFAOYSA-N 428.493 0.995 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 920884991 WOOYCFNIUGKHJQ-INIZCTEOSA-N 439.538 0.849 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)C1CC1 1337039036 SHORZXOJALQBCV-CYBMUJFWSA-N 446.323 0.540 50 20 ICGD Cc1nc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779032846 YJJJMZWFMWNKQR-FQEVSTJZSA-N 428.449 0.047 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780849923 MBIYFLWCANCUMF-QHCPKHFHSA-N 438.289 0.522 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326598 YYSKJKQSVJGNKD-UHIISALHSA-N 429.308 0.188 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782714332 AWOAOXQUINNHLX-CZUORRHYSA-N 439.372 0.720 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783326919 JMDOXISMKVODHK-HSZRJFAPSA-N 438.289 0.061 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935622 WGEYUOKQZCNIAJ-QFIPXVFZSA-N 427.505 0.683 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(F)c3)[C@H]2C1 1784736244 ILYDLRJJLPNXRF-JQFCIGGWSA-N 442.451 0.126 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721030 AOAJAVHXKMEUQH-VGWMRTNUSA-N 432.359 0.329 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)C)[C@H]2C1 1786955580 RXIINKHMSWKMQD-BODMQJBDSA-N 446.552 0.488 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccoc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980008 YMAUGMRWXAVNBP-XERREHJYSA-N 449.272 0.415 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1cccs1 1786986620 RKIHFDVLRXRNMC-CBVHJVASSA-N 442.346 0.825 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cnc(O)nc1O 1787430747 QIVNTSBXHCJMBI-DMLMCSCLSA-N 433.234 0.172 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1789865757 FGECKDJXTKMCRE-WOLPVMLTSA-N 433.292 0.717 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1790957905 CCFMPOMJZHAZMA-FQUUOJAGSA-N 439.372 0.574 50 20 ICGD CCCNC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793464744 MFZLMXYCZCKGKB-QDMKHBRRSA-N 430.509 0.243 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@@H]2C1 1798440609 SXZMBVURELPGFA-FFWIBEFTSA-N 426.521 0.277 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799680225 HNRXQKFGGKIOCV-JTTNIQEDSA-N 433.933 0.827 50 20 ICGD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1800535798 XSGFCBBXCNNALQ-NCGDYJRZSA-N 446.454 0.986 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1800759561 VPTINNIOOPAYHE-BWPSIRRCSA-N 436.306 0.917 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1800983265 VBLVBMACYSDAIG-QASQDZQESA-N 440.880 0.660 50 20 ICGD COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801706222 SOZYUFMMMHDMLY-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccccc1 1801954827 UGLJPNAHVPQKJY-ZMMAXQRCSA-N 437.924 0.650 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CC1(F)F 1802000953 UGXQWXNFBMVPND-DPRZVLLKSA-N 437.447 0.755 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1803014456 DYOMBTAVOAQTQI-KFNAQCHYSA-N 436.310 0.994 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)c(=O)[nH]c1C 1803141725 RLJKBXPDJYOTGL-VYDXJSESSA-N 433.896 0.701 50 20 ICGD Cn1cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805352360 UNFQELWLNOEDBR-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccnc2)[C@H]1c1cccnc1 1805879763 BOBWYSYCHXJXOO-OXQOHEQNSA-N 448.487 0.296 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809735321 HCWBOQRCFKCQIO-UHFFFAOYSA-N 426.282 0.404 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)[nH]1 1810294341 JLSLYHZGSVDACE-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810359220 NQJMIVUUUXGYPF-SUNYJGFJSA-N 431.320 0.542 50 20 ICGD Cc1nccnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344360 VMCVPTIVZBIYBU-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)nn1 1816296732 LFBATYSROUYTMU-INIZCTEOSA-N 436.237 0.205 50 20 ICGD Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cccc1=O 1817470955 NODIFBRYGXSPRN-QGZVFWFLSA-N 449.276 0.408 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472494 UKRRLMZWHRORTQ-ZWKOTPCHSA-N 440.309 0.969 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1817565287 RYOXJKOBIUUMLV-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816294 DAGTVPFEGGKGRY-BXKDBHETSA-N 433.860 0.859 50 20 ICGD O=C(COC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1819606753 UBELXKYWYJCOLK-HTRCEHHLSA-N 429.804 0.760 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1822859391 CDKBGGXXRAGALZ-QICQVJHXSA-N 448.332 0.890 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824588843 QXFNSOQQGDKVST-BEFAXECRSA-N 429.326 0.111 50 20 ICGD O=C(CCN1CCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1828396504 IWLCUIAKFRDCSG-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830539847 JMRBCKMZQNXUBC-ZBEGNZNMSA-N 431.287 0.216 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735729 MLQRQROMOZKGFV-KNBMTAEXSA-N 426.897 0.510 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)CCC)CCO2 1831639709 VGEOLTUCOIJPDF-KVWGNXHNSA-N 427.929 0.709 50 20 ICGD O=C(COc1ccc(O)cc1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833210609 PFWWBOMRJGLEAC-LJQANCHMSA-N 439.940 0.942 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1834414582 GDXVFIYUGLITNX-QGZVFWFLSA-N 429.315 0.758 50 20 ICGD O=C(CCN1CCOCC1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716726 MAUXZAZUPXHUJB-GOSISDBHSA-N 431.961 0.307 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838637204 JEOKYTVDQACFBP-GOSISDBHSA-N 433.977 0.289 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(O)c1 1838887416 BUVQMKOVZHLGJP-LPHOPBHVSA-N 428.869 0.071 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839143937 MHBKNCXYGBXHHC-PXNSSMCTSA-N 430.977 0.098 50 20 ICGD O=C([C@@H](O)c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199823 VKVKRGBOKSMHPF-RLFYNMQTSA-N 445.285 0.867 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1C 1839200292 ICVCMMXASZJSKO-RHSMWYFYSA-N 447.305 0.972 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839215864 PVBPUNNYLKMPNK-DEYYWGMASA-N 446.342 0.237 50 20 ICGD COc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc(F)c1F 1839382149 FKJZUVKRFOZGCY-KUHUBIRLSA-N 448.850 0.643 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839646435 XJAMGTQTGBZAOI-JZUUQJBKSA-N 432.315 0.268 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722607 BXIIPEVPHVIQOA-PBHICJAKSA-N 429.315 0.582 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840036984 XGBASICEOIRTKW-KXBFYZLASA-N 446.386 0.958 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840151584 GWURPBWFWSKCIY-YLJYHZDGSA-N 426.897 0.776 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)[C@H](F)Br)C3)cc21 1845217976 GCJYWWQISASRJG-LBPRGKRZSA-N 428.262 0.524 50 20 ICGD COC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)c1ccccc1 1846383874 DPCMRPHRDJBAKL-LJQANCHMSA-N 445.520 0.660 50 20 ICGD COc1ccc(COCC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1 1846386271 WBUWDKOIYGDZBW-UHFFFAOYSA-N 432.521 0.788 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)N1 1846388835 BMGVYFUDZKPXLT-WDEREUQCSA-N 449.360 0.174 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 10214162 UYPJIMOBRRPENL-UHFFFAOYSA-N 436.534 0.764 50 20 ICGD CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cn1nc(C)cc1C 14375020 GXPBWIOUWVCNRE-INIZCTEOSA-N 446.533 0.945 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 15104166 SUHPPALWLBDDAF-UHFFFAOYSA-N 439.469 0.198 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC 24257797 WJPPVCLMULTLOC-UHFFFAOYSA-N 437.430 0.667 50 20 ICGD Cc1nn(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1[N+](=O)[O-] 728342759 QWBSCAUPVLMONU-OAHLLOKOSA-N 447.404 0.329 50 20 ICGD CCOc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1O[C@@H](C)C(=O)N(C)C 728437310 PZTIQUVSZPKOPS-OLZOCXBDSA-N 428.511 0.329 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2C)n1 728722661 HEJPFVLFOSVBCX-AWEZNQCLSA-N 433.490 0.793 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 728890410 PRYDVVXQOQOUEC-UHFFFAOYSA-N 436.469 0.665 50 20 ICGD COc1cc(C(=O)NCC(=O)NNC(=O)COc2ccccc2O)cc(OC)c1OC 730836585 TVQRETSWTZOERU-UHFFFAOYSA-N 433.417 0.374 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733110971 ZBCLMOTURQXJDH-OAHLLOKOSA-N 425.536 0.694 50 20 ICGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 735511442 DGBMTPHCOHWEJM-UHFFFAOYSA-N 430.490 0.140 50 20 ICGD O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)C(=O)NC1CC1 745889925 MEJAVNCUXKJKQU-UHFFFAOYSA-N 443.551 0.074 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2cccc(OCC(N)=O)c2)cc(OC)c1OC 745900500 ZBMJMHHSGVNDOT-UHFFFAOYSA-N 432.433 0.721 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 746198258 XPUGGJAIGJBOOV-UHFFFAOYSA-N 444.400 0.680 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(=O)(=O)N(C)C 746550415 MOVJFQHTJGJMAT-UHFFFAOYSA-N 431.474 0.597 50 20 ICGD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccncc2)c1 747428198 JGUOYANFJAPWKF-UHFFFAOYSA-N 425.474 0.945 50 20 ICGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 747944014 MUDPFAYLZCJSCN-UHFFFAOYSA-N 446.474 0.472 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 751207439 XPLPFAVCVIYMMF-UHFFFAOYSA-N 436.380 0.860 50 20 ICGD CC[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC)cc1 752128096 XCKNIXMRCXAFBW-CYBMUJFWSA-N 442.476 0.174 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)CCSCCC(=O)NNC(=O)c1ncccc1C 752229206 HOKCSBMQOKKDDM-UHFFFAOYSA-N 444.517 0.829 50 20 ICGD CCN(CC)C(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755037339 QXMRPXJRQXDYJP-UHFFFAOYSA-N 440.522 0.117 50 20 ICGD O=C(NNC(=O)c1cnccn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 755361048 KCQFMJXWMCLVID-UHFFFAOYSA-N 440.869 0.617 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3F)cn2)C[C@H](C)O1 756838079 LFNZRRWFHHJDRF-KBPBESRZSA-N 448.455 0.890 50 20 ICGD COc1ncc(C)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 756848488 MWWBORWYPQFKKL-UHFFFAOYSA-N 449.489 0.886 50 20 ICGD Cc1cc(I)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 758055957 QRQPTKOOFNQXKJ-VIFPVBQESA-N 439.275 0.607 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 758058834 YJZVGMPVALUBFH-ZETCQYMHSA-N 431.824 0.641 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 759689775 GTPJKBGWIWEPHF-UHFFFAOYSA-N 433.486 0.840 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(OC)c(OC)c1 763558504 JVASBPQKPMZCPO-UHFFFAOYSA-N 445.384 0.619 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763571593 NCBLUGQMHYHKNY-KRWDZBQOSA-N 443.412 0.554 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 763685484 WKTDTYPAOWMBQP-UHFFFAOYSA-N 442.407 0.970 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763760729 PTIQVDQVUPNNJF-UHFFFAOYSA-N 427.461 0.667 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc(Br)c1=O 763806924 IYYWFSSDAYJUGL-UHFFFAOYSA-N 448.233 0.184 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)n1 763893244 REULWCUXWXTUJN-UHFFFAOYSA-N 434.884 0.776 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764166549 CAKIXMHJYAJIMT-KRWDZBQOSA-N 425.445 0.276 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 764317964 QOYCVINZMZQDTF-QGZVFWFLSA-N 428.493 0.761 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1 764369570 IDPNTHNYRXQZGQ-GFCCVEGCSA-N 430.417 0.669 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)NCc1ccccn1 765587629 GBHDHXIKFVUXPF-UHFFFAOYSA-N 444.473 0.675 50 20 ICGD Cc1cc(CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)s1 765725890 USCGEQHNZNHQOT-UHFFFAOYSA-N 432.506 0.282 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC[C@@H]3CCCO3)CC2)cc1 766636115 JTCHLNNVTGLVQV-KRWDZBQOSA-N 438.550 0.408 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(O)CCCCC3)CC2)cc1 766636567 QDQOJTHRXMZUJW-UHFFFAOYSA-N 438.550 0.144 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2=O 768565954 NFMNAPLKYSYPIF-QVKFZJNVSA-N 430.461 0.865 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)nc21 770969060 RECJMFQHDDHDES-UHFFFAOYSA-N 430.469 0.985 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 771957449 IKALUBHZIKTPKD-LAJNKCICSA-N 428.445 0.617 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)C1CCOCC1 772883593 DNAQHIJIBBOKDP-LLVKDONJSA-N 431.898 0.086 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 774008024 DPSRSVANJWXJID-SNVBAGLBSA-N 437.840 0.804 50 20 ICGD CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 776068257 ADGSSQYLUBIWHP-RRQGHBQHSA-N 440.570 0.703 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)c1cccc(Br)c1 778443725 WQWRPCMQNSBTNP-UHFFFAOYSA-N 429.271 0.851 50 20 ICGD COC1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 780154857 GHEZFKUMXISGDW-UHFFFAOYSA-N 425.507 0.674 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCc2c(Cl)cccc21 782897463 PKVQPFGVKLCOEI-UHFFFAOYSA-N 435.893 0.983 50 20 ICGD CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783424539 FIMWPKHVMUHDCM-LJQANCHMSA-N 440.522 0.848 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428560 WATGGEKEQWQZHL-IBGZPJMESA-N 438.506 0.210 50 20 ICGD COC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc2o1 784001922 GESDERQAHIIMFH-UHFFFAOYSA-N 428.357 0.328 50 20 ICGD COCCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)CC1 790444555 INYBDODPUDOIGD-ZHZULCJRSA-N 431.537 0.565 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 790544617 HUCGEQPULYNRCN-KBPBESRZSA-N 432.440 0.924 50 20 ICGD NC(=O)c1ccccc1CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 792210219 SPKHTDRYXLFYQI-UHFFFAOYSA-N 432.502 0.882 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)COc2ccc(OC)cc2)ccc1F 806544899 AWNJVASRTZHHOL-UHFFFAOYSA-N 426.426 0.974 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 807493733 MWKOHZRSCWZYEE-UHFFFAOYSA-N 448.439 0.564 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 808031752 OXGQSJXQDHJTIF-UHFFFAOYSA-N 433.581 0.087 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1ccn(C)n1)N(S(C)(=O)=O)CC2 814758986 NRGINOGIMKQGBV-INIZCTEOSA-N 435.506 0.837 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)c3cccn3C)c2)ccn1 815567457 YTQRVMPWVUCSIQ-UHFFFAOYSA-N 436.428 0.972 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)s1 916232393 JPJFACRWMWFDPE-HNNXBMFYSA-N 438.597 0.660 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)COc1ccccc1C#N)C(F)(F)F 916378843 VQECINQUIKWUKR-QGZVFWFLSA-N 440.382 0.841 50 20 ICGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 917391863 KIMIJOLIUDXPHU-GFCCVEGCSA-N 429.568 0.697 50 20 ICGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c(C)c12 919884023 DDBMWLJPLMTVHH-LBPRGKRZSA-N 438.510 0.044 50 20 ICGD CC(C)CC(=O)N1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1318091780 SSSCFIDNTYCCIO-UHFFFAOYSA-N 428.493 0.915 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264520 WVTFUVOJTDDHEU-CRAIPNDOSA-N 431.375 0.237 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778351606 GEWMBVNEZLNZSA-PXNSSMCTSA-N 428.961 0.388 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782215175 WZSWTVYNFSXQMI-IIBYNOLFSA-N 434.541 0.527 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783349937 WKQTXYZERILEHX-DYVFJYSZSA-N 432.315 0.832 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1783870995 LAZQFELOGJUCIU-VIXOANNKSA-N 449.935 0.943 50 20 ICGD Cc1cc2nnc(C(=O)N3CCO[C@@]4(CCN(C(=O)C(Cl)Cl)C4)C3)c(C)n2n1 1783948018 RMBCJQLJOVUELK-QGZVFWFLSA-N 427.292 0.988 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116581 UVWKBJFPKYKYSU-JJLQDPRZSA-N 434.331 0.886 50 20 ICGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795732534 RDQMOFITPDBOIP-NPDDRXJXSA-N 436.317 0.763 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]c(C2CC2)c1F 1796190733 FLZMUVKCXPQCOI-MUJYYYPQSA-N 426.257 0.672 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)C1CC1)C2)NC(=O)NCc1ccccc1 1799865941 RYGGYIFPVWFCKE-REPLKXPHSA-N 441.532 0.950 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800641757 JRKATGCZWLUJSE-DJBIQUGXSA-N 441.282 0.552 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803075892 ZHUYCWBZJDIFMR-YSIASYRMSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364553 FWIHOCCFIIPXNF-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812778144 YHCPINKXCCPQEW-WOYTXXSLSA-N 439.354 0.984 50 20 ICGD O=C(CN1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814482491 PSAYNEONIXQCBF-GOSISDBHSA-N 425.298 0.491 50 20 ICGD Cn1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1=O 1815415067 VEYYJWBCNBGHBH-GOSISDBHSA-N 449.276 0.408 50 20 ICGD N[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)c1ccccn1 1817471688 WQCKCWULBUUPJN-AZUAARDMSA-N 448.292 0.490 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CC1 1817475918 ZUDXOEFTPYUPGQ-IBGZPJMESA-N 439.325 0.737 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1819401975 YTUCKNGYNMYJPU-INIZCTEOSA-N 449.475 0.747 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)no1 1819923829 CJZYRSCTVHEJCR-SKDRFNHKSA-N 441.897 0.381 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1 1820165277 CSSWDJQWAOCGLV-BONVTDFDSA-N 444.586 0.971 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1 1825642372 QNQOLBBRIOSOAL-XRNSZHNASA-N 447.355 0.990 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060577 RBNFSFIQBUQKEB-DYESRHJHSA-N 429.370 0.940 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896996 PQRNAHQILWQJTL-APWZRJJASA-N 446.386 0.958 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830540589 QQTULMALQIBJBG-IYOUNJFTSA-N 446.342 0.165 50 20 ICGD CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832315912 OAOAILLIAHDASQ-XJKSGUPXSA-N 425.295 0.948 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793460 LLBZQYDLFZUFAS-QAPCUYQASA-N 443.888 0.655 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1833447117 BIFPHQJOAJEMID-BBRMVZONSA-N 449.277 0.189 50 20 ICGD C[C@@]1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1(F)F 1834800636 UJBQCXYAWGQYSV-NRFANRHFSA-N 449.307 0.597 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835047691 ZOSVAKNBXXADHX-IRXDYDNUSA-N 444.001 0.184 50 20 ICGD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837296697 IWQVILJLNPSRIB-JVPBZIDWSA-N 441.843 0.712 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838216866 NAQJSMKYGYPQAM-CZUORRHYSA-N 431.262 0.546 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798566 BWSANAJQRCBFEO-INIZCTEOSA-N 432.271 0.022 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839146367 YCIQJIFSCRXCAD-ABAIWWIYSA-N 430.807 0.566 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839651406 BZYZXDXESINCMG-KRWDZBQOSA-N 433.292 0.375 50 20 ICGD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839744182 SUQYLMGMYOHXTR-FLQJBOFYSA-N 435.427 0.709 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1840156756 YZTRLOCDUNQECW-QAPCUYQASA-N 431.942 0.704 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1843820940 DCTXUGLLBJXUTI-ILXRZTDVSA-N 445.944 0.407 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301415 MOEZRSPNXYQJBH-HPMPDSITSA-N 430.465 0.031 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnccn1)C2)NC(=O)NCc1ccccc1 1845038600 XRTJAMASRMMKBC-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl)NC(=O)NCc1ccccc1 1847565497 SLEIMPBFBBVTAC-ULQDDVLXSA-N 437.928 0.134 50 20 ICGD COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847696676 BXJPFFODYSJYRD-IRXDYDNUSA-N 433.509 0.153 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)NCc1ccccc1 10213972 LNSBHFVBNSULTL-UHFFFAOYSA-N 430.486 0.513 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1OC 10288586 CEMZBBZTFYOQPF-UHFFFAOYSA-N 426.429 0.948 50 20 ICGD C=CCNC(=S)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 725908812 VKDRSGWLLLGZMC-CYBMUJFWSA-N 432.955 0.554 50 20 ICGD COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)C1CCN(c2ncccn2)CC1 728783320 KJMZUFLJWLBYQC-UHFFFAOYSA-N 425.497 0.824 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cccc(OC(F)F)c1 731988834 LZDBNBAPHBSXLD-INIZCTEOSA-N 440.447 0.762 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734825821 OJXULQRUWUTRQI-UHFFFAOYSA-N 425.446 0.830 50 20 ICGD CN(C)Cc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 741278057 RIPBMAGNTWEFMT-UHFFFAOYSA-N 446.529 0.844 50 20 ICGD Cc1ncc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2cnc(C)s2)N2CCOCC2)s1 741767533 YOPWVBGDJDDQLM-INIZCTEOSA-N 449.562 0.908 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cnn(CC(=O)OC)c2)cc1 743250832 KBGGJNDTRPOPCO-LBPRGKRZSA-N 426.451 0.232 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 743420154 WXLUBTRRHWTANQ-MRXNPFEDSA-N 435.481 0.604 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)c1 744893237 KTMDMOXUTJPRDJ-UHFFFAOYSA-N 427.385 0.539 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCN1C 745859202 ZCZROYZJXGLVER-CABCVRRESA-N 425.559 0.127 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1 746309818 KFCYFTYGDVIBJM-UHFFFAOYSA-N 425.449 0.626 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)C(=O)N1CCCC1 748360986 XRXFZWIQKSRMNL-UHFFFAOYSA-N 436.534 0.394 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@]2(N(C)C)CCSC2)cc1 748648486 XXUIZIVTTCYZKT-SFHVURJKSA-N 443.595 0.383 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 756206019 ITBZRBILFIUCRK-UHFFFAOYSA-N 446.489 0.741 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(S(C)(=O)=O)c1 757673973 MMNLHBGDABMXPR-MRXNPFEDSA-N 449.441 0.869 50 20 ICGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758780999 VSXOSWAWMJEOCH-HNNXBMFYSA-N 426.433 0.160 50 20 ICGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763575026 PATVYPMMINKQSF-SFHVURJKSA-N 428.445 0.553 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679591 OKMWMPDFOIYLJU-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C 763683162 VCPDYYYPYIKHSD-UHFFFAOYSA-N 428.445 0.918 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 763774918 JYUFICCSJNJEPI-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD CN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763803769 NQANMBGAVTVKJR-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)n1 763886713 YBEHTBSGNKUWIJ-UHFFFAOYSA-N 430.465 0.921 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F 764001520 ACXKHESOTQKOGL-JTQLQIEISA-N 437.396 0.457 50 20 ICGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc21 764005482 ZMSZJYIXYIZFTG-UHFFFAOYSA-N 426.385 0.213 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005959 GWGJVMVFKUBLPP-UHFFFAOYSA-N 442.428 0.372 50 20 ICGD C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227803 RUZFOUHQOCVNDD-WDEREUQCSA-N 427.508 0.104 50 20 ICGD COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764431235 AHMXNCCCBMOIGV-QGZVFWFLSA-N 448.476 0.213 50 20 ICGD CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 770248499 ZATBRQCTCNESGH-UHFFFAOYSA-N 430.499 0.842 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1 770531767 PBNSTEVSJAVLEA-LBPRGKRZSA-N 438.872 0.919 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C 776077924 YOMNMPBWAWQPBQ-DNVCBOLYSA-N 425.507 0.749 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 776534089 MQLHABMYUBKYAR-UHFFFAOYSA-N 428.470 0.605 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC2=O)c(OC)c1 778436580 LZOVZYQQNFPDBV-GFCCVEGCSA-N 436.465 0.729 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cccc1S(=O)(=O)NC1CC1 782832998 ASYHUMCRYURXIB-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)nc1 783262327 CMBPJEKBLLYNJQ-UHFFFAOYSA-N 441.539 0.999 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ncn1 783939680 KUELWTMVFMJAGA-JLPGSUDCSA-N 431.478 0.680 50 20 ICGD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003651 KJORFKUUCFMPRL-GFCCVEGCSA-N 445.501 0.792 50 20 ICGD C[C@H](c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)N1CCOCC1 784004003 GJURSLDPGYCTPS-CQSZACIVSA-N 443.460 0.189 50 20 ICGD COc1cc(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1Cl 789796497 XFMALQZXJQBVIJ-UHFFFAOYSA-N 432.824 0.376 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C12CCC(C(=O)NNC(=O)c3cccn3C)(CC1)CC2 789880925 YLODBAVIODLTMG-UHFFFAOYSA-N 440.504 0.926 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 789909996 XLKHSNFJSFVFLX-NSHDSACASA-N 442.881 0.275 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1nc2ccccn2n1 792393040 IUKNLRUVKYQORE-UHFFFAOYSA-N 439.432 0.434 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794062814 BKJGAPBCVWTLTO-UHFFFAOYSA-N 434.474 0.672 50 20 ICGD CC[C@@](C)(OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 794861619 JXNNXQBFRKZYKA-LJQANCHMSA-N 427.523 0.603 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1c(C)cnn1C)c(=O)n2Cc1ccccc1 794878893 GQWOVPZEDSRQIM-UHFFFAOYSA-N 448.487 0.620 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@@H]1CCCOC1 795332769 ACYISQMPDJTSRZ-QGZVFWFLSA-N 444.985 0.835 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CCCC2)c1 800520478 COWDQSUUKIYCHN-HNNXBMFYSA-N 442.559 0.972 50 20 ICGD O=C(COC(=O)CCCNC(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 804105111 PIPWYBGLNAWMPE-GOSISDBHSA-N 441.440 0.727 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccnc1C1CCC1)CC2 807462042 HMIPUWJYZZOLNV-UHFFFAOYSA-N 430.490 0.685 50 20 ICGD O=C(NCCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1nnc(O)c2ccccc12 807494124 UAEWHOSIUPZKAD-UHFFFAOYSA-N 434.412 0.966 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812730693 SBLUTIPOKHSSCV-UHFFFAOYSA-N 440.547 0.975 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)cc1 813033937 RWGQBWQINQJXRO-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)Cn1cccn1)c(=O)n2Cc1ccccc1 814745985 MHBMWHHGSGGZDB-UHFFFAOYSA-N 448.487 0.817 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815565188 FQGLVTAIKORAQC-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 815692799 BTROLMQBMNOZQU-OAHLLOKOSA-N 444.455 0.941 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2c1=O 834843151 PYYUQXMLOGLSGY-UHFFFAOYSA-N 434.412 0.411 50 20 ICGD COc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 915789105 LLEURHBAKQFGQC-UHFFFAOYSA-N 440.865 0.187 50 20 ICGD O=C(NCc1ccccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915888993 HSASGGOPGBWNFJ-UHFFFAOYSA-N 436.465 0.991 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)CCN1 916392320 WKTYMBSXVMQPFU-UHFFFAOYSA-N 441.513 0.953 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c[nH]1 916736385 NKMHIKVGKRMSKW-UHFFFAOYSA-N 441.469 0.667 50 20 ICGD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1 917109320 HMECORTXKVGKDA-UHFFFAOYSA-N 435.481 0.056 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1341794719 MSDRTDYNWMAIDD-BEFAXECRSA-N 433.490 0.553 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778903221 UXYULPZSOVNCNI-YPHICONVSA-N 428.338 0.930 50 20 ICGD CCc1cnc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1779303010 LUXQZYWGXBLCLX-FQEVSTJZSA-N 429.307 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779364761 ZARDUKMCHBYCIV-SCLBCKFNSA-N 433.839 0.941 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937824 HYENUEOOXJNQRN-LIRRHRJNSA-N 440.953 0.739 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782208404 GJVKWKROTSJPPJ-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673470 ZEWRRMMUVKBCGW-SJKOYZFVSA-N 443.298 0.422 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783349155 HZWQKVVMLOWZNH-XHBSWPGZSA-N 436.303 0.054 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783355883 ZFQOUMKHUVDCGQ-VUCTXSBTSA-N 435.315 0.606 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1783881461 MQGFDOQPKSIBBF-JXFKEZNVSA-N 439.944 0.416 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccc(O)cc1 1783935655 WKQPRZGHLCYPOD-KSFYIVLOSA-N 432.521 0.699 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979427 HVPIYBROVJFBSM-CUWPLCDZSA-N 440.280 0.342 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccn(C(F)F)c1=O 1788798723 STJPFVZAHJGUGT-DEQVHRJGSA-N 433.839 0.436 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2)c1ccc(B(O)O)cc1 1795736648 BLQHURBLZQRPLX-YETWZAFCSA-N 426.322 0.396 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cncc2cnccc12 1796188639 BEWCBIWHDQLXBK-REPLKXPHSA-N 430.273 0.875 50 20 ICGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)no1 1796420089 AXRLYYGTVXVMQQ-LSSIXWDNSA-N 443.298 0.685 50 20 ICGD CCc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751655 LWCJNPQPUKVIGO-IVWMJMPLSA-N 442.476 0.061 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(OC)c1 1798824094 MHZKPWUBLATTEO-USGNIVHTSA-N 448.520 0.280 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cc1 1798927245 JCTRTJCVRVXLRH-ZSBFGKGUSA-N 427.436 0.341 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)cc1 1799297168 LLGGSRFARJIKCN-HEFCWWFNSA-N 438.289 0.079 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)Br)CC1 1801962363 HMVQQFFEVLMHHC-DMRZNYOFSA-N 429.359 0.572 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCN2C)[C@H]1c1cccnc1 1803941786 MGRLZNBGIUYOQN-LVCYWYKZSA-N 430.553 0.555 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCC1 1807374907 PBNRKBYSVPKEPZ-ICSRJNTNSA-N 432.289 0.775 50 20 ICGD Cc1nnsc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808653319 KWPXVLJATYPMMC-YJBOKZPZSA-N 445.549 0.934 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813028046 JDADHWFXNOEVAX-TWOQFEAHSA-N 448.907 0.656 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cncn1 1813073162 HWIVJJIONINVCV-WRWLIDTKSA-N 442.524 0.313 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)[C@H]1SC(=N)NC1=O 1814871000 HNXHNFIKNJTEJZ-BQKRADJCSA-N 442.929 0.804 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)c1 1815764837 UAKNKCDAVJVOSP-ZDUSSCGKSA-N 433.538 0.633 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815774157 XBWFAPMSDSYWAC-LSJOCFKGSA-N 441.286 0.783 50 20 ICGD Cc1n[nH]c(C)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820310431 OBPCSVNHIVIKDH-CQSZACIVSA-N 439.306 0.702 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1 1822412024 IIFMBQVXKVIISX-CQSZACIVSA-N 435.485 0.227 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082712 BGIITEILCYTESU-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD O=C(CN1CCCC1=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051359 VCNBEOTVSQVXFL-HXUWFJFHSA-N 441.337 0.222 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829534335 XYRCEJNDPZESFO-FZKQIMNGSA-N 433.839 0.684 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1831175072 WLSFMJRKYVGXHE-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477693 OPHAZWXVFWGUQM-KSSFIOAISA-N 448.358 0.531 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486907 CVKIWQXNXNDJRF-MSOLQXFVSA-N 433.977 0.147 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831647844 ZGSOAXPEDUNHLB-YWZLYKJASA-N 441.912 0.873 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831653909 GOOGQTSUYABHQF-BBTUJRGHSA-N 445.004 0.486 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832972995 ZLSRBOLVVHBZLY-CRAIPNDOSA-N 431.942 0.704 50 20 ICGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421157 LWZHGGYRYAASFZ-UHFFFAOYSA-N 434.404 0.970 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=C/C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797748 AZTSNIJPFMGMDE-FPYGCLRLSA-N 425.338 0.518 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055524 PEKXTKCQTOYTOB-KBXCAEBGSA-N 443.342 0.450 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153337 GVXRRIARRXVIDJ-RTBURBONSA-N 446.331 0.692 50 20 ICGD O=C(Cc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198196 WSSZOVJZPIWNPG-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630866 WMYZGYBORBUPAB-LIRRHRJNSA-N 437.884 0.282 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886089 IQPSNRODEIADHV-RHSMWYFYSA-N 434.331 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839909880 KNAKDGKIMNNWKP-OXJNMPFZSA-N 426.897 0.645 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840032314 VCHSPGYCJAXVKU-BONVTDFDSA-N 433.328 0.579 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033862 SPOYIGRTBKLOEA-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840153008 ASKBRMXGUSMEHZ-UZLBHIALSA-N 436.896 0.658 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840854260 YHKPEFPVEISNPA-XLIONFOSSA-N 443.617 0.599 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 1840857569 FQYAYTWIEIIWGN-XLIONFOSSA-N 440.899 0.913 50 20 ICGD COc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841187493 UMNMZCGJGUWBSK-UHFFFAOYSA-N 439.472 0.590 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011501 JXLXIRYLQPCZBK-UHFFFAOYSA-N 439.668 0.193 50 20 ICGD O=C(CNC(=O)c1ccc(F)cc1F)NNC(=O)c1csc(N2CCOCC2)n1 10292505 HHKAOLLGGPRXQM-UHFFFAOYSA-N 425.417 0.449 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2C1 43742345 RDKGFDLBRATOIE-SNVBAGLBSA-N 427.486 0.893 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1C 725740929 JRGYNJYRKGCZMW-UHFFFAOYSA-N 438.531 0.611 50 20 ICGD COc1cc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC(C)C 725872334 NEJJTJREYMFKAX-UHFFFAOYSA-N 433.421 0.481 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)CC2=O)cc1 728723207 NEOLYZTUKBQTMX-ZDUSSCGKSA-N 446.485 0.746 50 20 ICGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854483 WNQVBWURVUNEAQ-UHFFFAOYSA-N 444.517 0.619 50 20 ICGD Cc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 729340267 IDAPBHNCHGPYRW-ZDUSSCGKSA-N 438.535 0.450 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)NC1=O 729742932 MKVPNEBLAZRAAC-ZBEGNZNMSA-N 441.396 0.550 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733082151 NQIZHYGTQMRGMG-UHFFFAOYSA-N 430.515 0.829 50 20 ICGD COC(=O)c1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735116897 KIFZKXIOLNSOIT-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1OC 741172151 LFXMRRBGCZLXHG-UHFFFAOYSA-N 436.465 0.544 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 743829732 CHPJAPWJSJWSER-UHFFFAOYSA-N 446.894 0.857 50 20 ICGD C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cc2C1=O 744458192 IURLABANDAGMPZ-UHFFFAOYSA-N 432.392 0.958 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 746306934 JRPKXEKIPDSYFA-UHFFFAOYSA-N 444.473 0.320 50 20 ICGD N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 750038826 KWZMALAETRMPOS-VLPYWWCZSA-N 440.503 0.594 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnn(C)c3-n3cccc3)cc2)CC1 750238427 HLEMLXIYIYHSOC-UHFFFAOYSA-N 443.533 0.904 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccn1 751261645 VUABJSKEUWBFQI-UHFFFAOYSA-N 438.409 0.546 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 752781432 YWJJIIDZUQPRLD-LBPRGKRZSA-N 439.446 0.972 50 20 ICGD Cc1oc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1S(N)(=O)=O 756108327 WBFYCAILZZBISN-UHFFFAOYSA-N 444.491 0.013 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 756185973 FPZAIKYPDCVBCP-CQSZACIVSA-N 447.517 0.750 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(-n3ccnn3)c2)cc1OC 756265433 OQYOYRAVZPAZIJ-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COCc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ncn1 757719891 HNLAUYPCJVAVMA-UHFFFAOYSA-N 434.478 0.874 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 758059069 ZWTCFNJCAVBERA-CQSZACIVSA-N 442.501 0.692 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccn1 758839512 OSPSSZZYBRDJSB-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n1 759910200 FSQARXIIPCLSRV-UHFFFAOYSA-N 441.469 0.603 50 20 ICGD CN1CCC(CNC(=S)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 760494777 FIDXTEUAFILNKN-UHFFFAOYSA-N 432.594 0.282 50 20 ICGD O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1COc2ccccc2O1 763453921 CZCSRIPPNKRNPP-MRXNPFEDSA-N 431.357 0.504 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 763569774 BOGBDZQFCFICPH-MAUKXSAKSA-N 427.413 0.780 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 763678139 DJZSGVUSPJWALO-UHFFFAOYSA-N 441.419 0.699 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1N1CCOCC1 763681681 XQAZZVGHUIVLMB-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 763837210 ABSCCPYPSKDCKW-UHFFFAOYSA-N 441.419 0.788 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC 763904385 YJMUPOXPBGHBHK-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F 764229879 CYEJAIDASGAKFS-LURJTMIESA-N 444.869 0.678 50 20 ICGD CC(C)c1nc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2s1 764229909 DUYOZVXBYUHPRD-SECBINFHSA-N 427.508 0.443 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764351225 PNJWTPLHHWLRES-UHFFFAOYSA-N 436.428 0.397 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 766660350 KPEKYAMTMDYDQZ-UHFFFAOYSA-N 435.872 0.410 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)n(-c2ncccn2)n1 768234668 YCJHOOFUDFSWPD-UHFFFAOYSA-N 437.416 0.914 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 768866566 MBMNJIWTLMWHDR-UHFFFAOYSA-N 448.504 0.595 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 775192138 OGWOZSSMKKKHLX-CYBMUJFWSA-N 439.563 0.743 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 777279902 VTFPAEXSSAIAOO-HUUCEWRRSA-N 431.515 0.215 50 20 ICGD CCCCn1c(CCC(=O)NNC(=O)CO)nc2cc(S(=O)(=O)N(C)C)ccc21 777781352 QKVBQRVNRJALKB-UHFFFAOYSA-N 425.511 0.159 50 20 ICGD N#Cc1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 779968401 RNAVWLFFLYJXLW-SFHVURJKSA-N 445.443 0.674 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 784847580 JWFZKUXGRMCENQ-BETUJISGSA-N 431.453 0.004 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)[C@H](C)O)cc1 791662427 HLNBMCOMOIXURR-OXJNMPFZSA-N 449.529 0.866 50 20 ICGD Cn1ccc(CCC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 794210917 LBBVPLBINAZGIG-UHFFFAOYSA-N 449.533 0.154 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 794292963 MKMQGSMNXUGMQK-ZSHCYNCHSA-N 430.509 0.953 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 795276262 NSPUVKTYKYOXHM-UHFFFAOYSA-N 440.503 0.498 50 20 ICGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 795310658 APYOKGAYVRCFAI-UHFFFAOYSA-N 425.419 0.204 50 20 ICGD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368543 DCAAGXMHGMFVIM-UHFFFAOYSA-N 448.457 0.102 50 20 ICGD CN(CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 798118383 UAAKUSGAFBMCRV-UHFFFAOYSA-N 439.425 0.999 50 20 ICGD CS(=O)(=O)NC(=O)CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 800552683 CHJJNBWRQPZCHI-VBKFSLOCSA-N 440.485 0.953 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 802116431 DJJSBCRBWCNDHQ-UHFFFAOYSA-N 430.874 0.522 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCN1C(=O)c2ccccc2C1=O 805044365 PEIOUBUIZRRPBG-UHFFFAOYSA-N 429.458 0.495 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 812964482 NWIAMAJEHRVSNK-ZDUSSCGKSA-N 442.523 0.642 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 815567237 RVRMJYFUTZSSJE-UHFFFAOYSA-N 430.240 0.430 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1 816805517 ZCCFCXNCVAFISH-UHFFFAOYSA-N 430.895 0.448 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 844260251 BMMHRCCFPLHUPU-UHFFFAOYSA-N 443.485 0.359 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccncc1)N(S(C)(=O)=O)CC2 913161545 NEMVVRXQGIOVPN-INIZCTEOSA-N 448.501 0.809 50 20 ICGD O=C(NNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 915872858 QDGBBOVBNGEQOB-UHFFFAOYSA-N 440.459 0.752 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CC3(Cl)Cl)nc2)CC1 915907954 KNJJXQKBQNJOLI-LLVKDONJSA-N 437.353 0.838 50 20 ICGD COc1cc(C=NNC(=O)C(=O)NN=Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 916266166 IERAFLPTNOWXRV-UHFFFAOYSA-N 442.384 0.762 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 916276844 QBTBSXZOCXMQFI-UHFFFAOYSA-N 431.430 0.996 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916726283 HGOAMLLJGLNWLV-UHFFFAOYSA-N 448.501 0.954 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 918221512 KNMNGIKGQKPSMR-UHFFFAOYSA-N 438.444 0.316 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(Cl)cc1O 918358074 IYBBBLDBBTVLCI-UHFFFAOYSA-N 442.881 0.480 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778516464 DVHFNXDLTVDSLP-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778945934 RCVCUDAHCAGHJL-CXAGYDPISA-N 428.276 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CS[C@@H]3CCCCO3)C2)C1 1779085868 QZQFFKIQJBYTPU-UXHICEINSA-N 442.582 0.449 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779296280 MJHLGULYTNFGSY-HXUWFJFHSA-N 426.634 0.305 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1779301927 ZUKJPAFGHOJLAX-HNNXBMFYSA-N 425.480 0.346 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1780098686 QKDVYMKKKIGJKK-RBZFPXEDSA-N 448.432 0.098 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1780557802 DNIFUJVRAYCGEZ-OAQYLSRUSA-N 434.493 0.217 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1780792899 FZAVCXBCSCJIDG-RZQQEMMASA-N 425.602 0.973 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1)C(=O)O 1781998397 SHMYOEHAHOZHTD-HPTBWKMGSA-N 434.331 0.346 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782955211 YCOGHDAKBDOAKM-XJKCOSOUSA-N 437.356 0.425 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCN3C)CCO2 1783935870 ZQDJWPDEEQBQOK-HSZRJFAPSA-N 443.548 0.495 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](C(=O)OC)C3)[C@H]2C1 1784085721 PDVIIAIODRRSBP-UYLCUJDWSA-N 430.929 0.809 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539286 LQBOEPRKVRYPAV-KRWDZBQOSA-N 433.983 0.942 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2)CCC1 1786687628 WEWIYSWIEVSGOQ-UHFFFAOYSA-N 444.492 0.045 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788565471 LGNWWZXWGLHTLH-QNWJLWSRSA-N 437.310 0.364 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788888792 DMUWIFZWIGOOKO-BPNCWPANSA-N 441.282 0.553 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21)[C@@H](F)Br 1789926135 OKLFLKNJZJWCEZ-FIQHERPVSA-N 441.261 0.408 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C[C@@H]21 1791251085 UUCXDUYYFSFUIZ-GBBGEASQSA-N 440.924 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1791291192 PKYYZULXAWXSDT-JYJNAYRXSA-N 428.606 0.191 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(C(F)(F)F)o1 1792978517 YFIWSYTVUNRMGI-VLEAKVRGSA-N 425.791 0.805 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CNC(=O)OC(C)(C)C 1792993574 CGBXWOIXPKVTAV-RBGFHDKUSA-N 447.960 0.991 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CBr)C2 1793530343 SWUYOBFBGDYFGQ-XHJNMGKDSA-N 438.388 0.983 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ncn(-c2cccc(F)c2)n1 1794287790 YFJDXNKURZOLEV-VZAMPYOESA-N 437.859 0.209 50 20 ICGD NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795111459 PGIHPXCFBBKWMG-GNXNZQSNSA-N 425.283 0.169 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCC(F)(F)F)C2)c1ccc(B(O)O)cc1 1795733002 VUOFXFNAVDNCPG-XOIINTDNSA-N 428.216 0.302 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736702 GLYBXXONMHBMNL-IBHRTIHJSA-N 436.317 0.448 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)cc1)C2)c1ccc(B(O)O)cc1 1795736771 JMDGJZXFRIVZEE-OPMZPASUSA-N 440.280 0.342 50 20 ICGD COc1cccnc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188226 CWTFMXNKSGGLCW-REPLKXPHSA-N 437.305 0.655 50 20 ICGD O=C(Cc1cccc(Cl)n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188264 ITOAPJDYLUSEDM-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nnc(C)o1 1796233899 RQBLQPOGMJXKRG-NHDOHCAUSA-N 427.465 0.693 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cnc1C 1797749751 NQVUVWDCRLGDAD-HGKCTWBKSA-N 438.488 0.214 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797778814 FFHCLQGLMDDSLF-BAYHKCFCSA-N 426.315 0.650 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442976 ZYCBONARGQSEDV-BTTYYORXSA-N 431.493 0.526 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)nn1 1798754167 QGWMRMHTQUOKBK-MCYUEQNJSA-N 427.299 0.862 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366592 ZXTKNJRDPFWYOP-NFBKMPQASA-N 444.300 0.719 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367908 OLKZIVOIHADZFE-UGKGYDQZSA-N 438.337 0.421 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302153 HDUFMUPHZVBKJV-SNRMKQJTSA-N 439.520 0.398 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncc(O)c1 1812909176 VJRUTMQLKIKFBB-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN1CCC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1814490830 ACOWTGOQJJTLNI-LJQANCHMSA-N 439.325 0.737 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814874040 XNDFASDIKMHBNZ-KGLIPLIRSA-N 435.872 0.314 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCBr)n[nH]1 1816782392 NFUQZKJFKXUELV-JQWIXIFHSA-N 429.319 0.780 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028312 GXPVXHCZBXLYGY-TZMCWYRMSA-N 446.346 0.472 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822188146 CBJMEAOUBQONRL-JSGCOSHPSA-N 446.346 0.472 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185867 HUMADTQBUQVJDT-IRXDYDNUSA-N 437.928 0.518 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1825271065 LYWSIUHDWXIVRA-NRFANRHFSA-N 438.337 0.805 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](COC)NC(C)=O)CC2 1826000495 UQNRKNDBABHGNM-GVXVVHGQSA-N 432.930 0.460 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807969 MFJAMBVZRGVMCZ-HUUCEWRRSA-N 439.877 0.585 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827010250 HZXBHRSMKGNFBM-PMGBHYCQSA-N 449.301 0.552 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827559254 HQJPTNUXDRUGFU-RBUKOAKNSA-N 444.341 0.047 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2ccccc21 1830727944 LFRGEOQZBQGBCQ-RXVVDRJESA-N 435.908 0.848 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831646487 KHXBWVDFOAHIDO-TXPKVOOTSA-N 444.985 0.877 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CC1)[C@H](O)CCl 1833310640 WXKGODRHOOFMIO-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833922842 YVLUPELPYAQVER-VQYZLWMVSA-N 443.460 0.484 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1C[C@H]2C[C@H]2C1 1834822968 BFHLCJUDICFMRM-JEWRLFTDSA-N 444.370 0.568 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1838785645 JRALTUIZUMSAEG-INIZCTEOSA-N 441.912 0.164 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839149441 GWPMULBRUDUHIN-BVGQSLNGSA-N 436.336 0.205 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198145 VPGULMBOXBMCDO-CPUCHLNUSA-N 447.305 0.666 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202413 FATCFJJKKYWPEW-ZOWXZIJZSA-N 443.335 0.247 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030805 WXOYCKZSGZSMDM-PXAZEXFGSA-N 429.315 0.582 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840032024 LJLCTQHOWJWVQE-SUMWQHHRSA-N 429.315 0.202 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840150974 UWIAIPNEUXOBCV-VQIMIIECSA-N 427.885 0.171 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840153477 PQGAOVYLZCNECR-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1840156648 RQVQFMBUWCDGPH-FUHIMQAGSA-N 431.961 0.569 50 20 ICGD COc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1OC 1843014701 QWZOAVKMECMXKX-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2n1 1844666544 BLKUVRJCZGVWHY-UHFFFAOYSA-N 434.261 0.382 50 20 ICGD O=C(CCn1ccnc1)Nc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 109108792 WYTIBIYAKGSJEM-UHFFFAOYSA-N 445.443 0.962 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cnn[nH]1 729456065 PDIUAGGRNDXSHG-UHFFFAOYSA-N 440.791 0.607 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)c2nnc3n2CCC3)c1 730935762 WERCQUFUBQECQG-CYBMUJFWSA-N 449.537 0.960 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 731179231 YXMQYFXGFWEOOS-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CC[C@@H]2NC(=O)NC2=O)nc2ccccc2c1=O 733265533 GAKPXQCHBFALSR-HNNXBMFYSA-N 430.465 0.643 50 20 ICGD Cc1nn(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(C)c1Cl 735117039 MADXWHPUCBNWAJ-UHFFFAOYSA-N 441.945 0.628 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cnc1Cl 735265840 MEELYSFUSVNDHY-UHFFFAOYSA-N 439.302 0.968 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCCC2)c1 740810639 RVIHJACQWMJORY-HNNXBMFYSA-N 431.536 0.604 50 20 ICGD CCc1nnsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 743798117 QNIUSHAWLVCZEK-UHFFFAOYSA-N 425.492 0.196 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744458172 IGCSNDSHSRJFRM-UHFFFAOYSA-N 441.444 0.363 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2ccnc2)nn1 744621414 WMPHNPAVJBUHRN-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 754423089 JSAJPSDCCKBCFD-UHFFFAOYSA-N 447.441 0.699 50 20 ICGD CCC(CC)c1nnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755518733 XUALHQVYFPDKRY-UHFFFAOYSA-N 449.497 0.042 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1C 755846792 NMWHKFVLLCBXQZ-UHFFFAOYSA-N 426.433 0.481 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756094374 KKXSKUNDHDGLAC-KODHJQJWSA-N 442.472 0.602 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756095220 MIYCNWYPSDNIIL-HVCLXXKLSA-N 430.436 0.731 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)c(Br)cc1F)N[C@@H]1CCS(=O)(=O)C1 756936810 UDGDMEIBDBMGRC-ZCFIWIBFSA-N 448.267 0.407 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n1 760291300 NMMNXEYYUFTVML-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763468894 XHDINASHTKHFNP-UHFFFAOYSA-N 428.405 0.495 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763657397 LNFNHBFORIOTBI-UHFFFAOYSA-N 430.461 0.930 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 763663457 IZIMHCIIPUVBGJ-UHFFFAOYSA-N 428.380 0.580 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 763664528 BZNMIKALKWHWKG-GOSISDBHSA-N 441.440 0.797 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1C 763678237 BCKRNBABCFGXQP-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)cc1 763682282 ULMBXWGKENGWRK-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1=O 763861172 PFDACQZMWLWFHM-UHFFFAOYSA-N 446.261 0.958 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1CN1CCOCC1 764003392 CRRICZFGZYIUCH-UHFFFAOYSA-N 440.456 0.690 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764137110 ZCPXGORMGJEIPS-UHFFFAOYSA-N 440.456 0.496 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(=O)n(-c2ccccc2)n1C 764169064 SVNCKXMLWCGNQB-KRWDZBQOSA-N 435.440 0.574 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 764292945 JBWHTKKPESEOEU-UHFFFAOYSA-N 436.428 0.756 50 20 ICGD NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccccc2F)CC1 764314044 QWKTXHBVMGDGFD-UHFFFAOYSA-N 441.463 0.856 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1nc(O)c3cnn(C)c3n1)C2=O 770980753 UQRUEMMVNDFDGA-APBUJDDRSA-N 430.469 0.649 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 772001159 AYYCJZHCMAWWRV-STQMWFEESA-N 429.495 0.085 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1 773073501 UTADMJHHNSTEDM-CSKARUKUSA-N 431.474 0.781 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 774003584 XZBICBSHEJDJEF-LLVKDONJSA-N 436.856 0.178 50 20 ICGD COC(=O)CCN1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)[C@H](C)C1 774699727 IHJWBAPMPUKBHK-OAHLLOKOSA-N 433.513 0.003 50 20 ICGD CCN(C)C(=O)CNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 776258107 LXJZJYMDOLVQIS-UHFFFAOYSA-N 436.472 0.867 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 780317249 LZNZSKXIPYFQCB-LJQANCHMSA-N 438.506 0.960 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c[nH]nc2-c2cnn(C)c2)cc1OC 781405811 ZINDCFKDWCPSQP-UHFFFAOYSA-N 428.405 0.445 50 20 ICGD CCOCCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782837330 IDQJPSQZZWLMLV-UHFFFAOYSA-N 428.445 0.948 50 20 ICGD COc1cc(NNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)ccc1Cl 789804657 JRGBGXKNBPOEKE-UHFFFAOYSA-N 437.888 0.305 50 20 ICGD NC(=O)c1ccc(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 792562956 MEFDGDJXUMURES-UHFFFAOYSA-N 430.486 0.574 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CC(=O)N2CCCC[C@H]12 799467193 GQCAFYOBZUJHCY-LJQANCHMSA-N 448.545 0.897 50 20 ICGD NS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C1 799917338 WJMAMVDJNIADFG-QMMMGPOBSA-N 425.692 0.820 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc2c(c1)OCO2)C(F)(F)F 806567971 MUBLRMYWAVFKRD-NSHDSACASA-N 426.373 0.182 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 818581026 SXJVYLBEDODOLX-OAQYLSRUSA-N 443.435 0.861 50 20 ICGD O=C(COC(=O)Cn1cnc2sccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 819054811 MOKJPOXHFMGABA-UHFFFAOYSA-N 431.386 0.371 50 20 ICGD C[C@@H](NC(=O)CCC(=O)N1CC[C@@H](B(O)O)C1)C(=O)c1ccc(Br)cc1 864231188 JYXNFZLNLRFZMK-DGCLKSJQSA-N 425.088 0.992 50 20 ICGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)COc1ccc(Br)cc1 888277027 VIMUMYBDTWMRDX-CYBMUJFWSA-N 434.312 0.789 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)no1 912919574 PBBWONOZRKRWIL-MCIONIFRSA-N 427.527 0.690 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913476980 XOJMNBXLEPDJHX-MRXNPFEDSA-N 428.424 0.514 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3ccc(Cl)cc3)cc2)CCN1 916392337 WXNWHJBIUOQNEQ-UHFFFAOYSA-N 443.891 0.985 50 20 ICGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916739764 UOGOKBALJHDZOO-UHFFFAOYSA-N 428.474 0.584 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2COCCO2)cc1 920854662 PBWKYZUQSNJNFW-OUQXZNHLSA-N 439.472 0.873 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3[nH]c(C)cc3C)CC2)cc1 1319231981 UJHZCOLEXPFMGN-UHFFFAOYSA-N 433.534 0.707 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)cc1 1321060615 PNQUFKXGJAFKME-UHFFFAOYSA-N 442.505 0.810 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783678480 LKIYQJHVRIYLIL-XUXIUFHCSA-N 433.347 0.411 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1783881166 PMGRVZJEQIMRPP-FZKQIMNGSA-N 427.841 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1783935626 WSTIXJRKNAWXOH-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785080507 ZHEHLXBRNXQSIR-OSPHWJPCSA-N 447.300 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]21 1788609910 CGYVWAQHIOQJOY-JVPBZIDWSA-N 441.463 0.731 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21 1788610256 NAESAXWCUHEQNZ-WBAXXEDZSA-N 443.529 0.583 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801478 LCUQWTGVWCXPRN-QEOTZNIISA-N 445.402 0.385 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1792867456 BUAAJLMKFXVLKK-FMPTWSOUSA-N 439.354 0.572 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)no1)C2 1796439588 OAYHNTCFGJCFGP-BHTPPFENSA-N 442.476 0.249 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140698 CKVGPABICKZBDZ-QKPAOTATSA-N 435.974 0.265 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccc1F 1797749573 FMFXUQNXTCWERX-IVWMJMPLSA-N 442.451 0.045 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506985 YTIHCAIVMZCVKJ-OPDFLTKYSA-N 425.898 0.543 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1800978276 QXAHFKACUZEFLL-HLPPOEQASA-N 425.869 0.325 50 20 ICGD CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806776415 JCUDSIKXSHYLFD-FXAWDEMLSA-N 425.294 0.242 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1 1810298628 KUTNIMDEBOEZOH-JXFKEZNVSA-N 448.487 0.296 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1 1810302958 NYUFDHKXNGDPIJ-JXFKEZNVSA-N 448.487 0.296 50 20 ICGD CCc1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1811010523 KPWPGTINFSRVLE-DYESRHJHSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(C)(C)C)[C@H]1c1cccnc1 1813071397 PHNJMPNFJMIPMS-UTKZUKDTSA-N 432.569 0.849 50 20 ICGD Cc1nccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354512 GCRLYXYGHJQOEK-CQSZACIVSA-N 437.290 0.461 50 20 ICGD Cc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354944 ITXNXQIZRRFIJC-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815354985 KMHOZGOQCLGEOU-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817115669 KCBJEHBESVRBAS-RNCFNFMXSA-N 438.934 0.320 50 20 ICGD CCc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830725145 LUVQKXWPXPYAMZ-ACJLOTCBSA-N 449.335 0.306 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834298500 JYGUXZLXJDNBIJ-SUMWQHHRSA-N 427.299 0.720 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478523 NIVNEBKEJPLQKI-LIRRHRJNSA-N 425.869 0.898 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1839988984 FTZTZIOROXOJRX-WOIUINJBSA-N 436.936 0.848 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840034465 MGAHTCLYFWEKDW-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840099932 JWRFDUTWUCKDAE-UTKZUKDTSA-N 438.908 0.888 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840151026 VDDNFDFEHVYIMJ-SCLBCKFNSA-N 448.303 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840153048 BIFOZVBFVJGDTP-YWZLYKJASA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840154015 IADGVEMXQJVTIC-KUHUBIRLSA-N 443.932 0.357 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840156126 OHLQYJLAMOYJIE-AUUYWEPGSA-N 449.932 0.221 50 20 ICGD O=C(CN1CCSCC1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187088 KAEBOZXTQFTODT-INIZCTEOSA-N 426.366 0.295 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840189671 GAKARUJMNLXNKM-HNAYVOBHSA-N 431.316 0.850 50 20 ICGD O=C(CCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)Nc1ccccc1 1843010444 QJCXDPMXTVKLFE-UHFFFAOYSA-N 449.316 0.992 50 20 ICGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 28808106 UEMZANJTCMXRPB-UHFFFAOYSA-N 429.476 0.121 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728331746 DRFGDLUZRCNDAA-INIZCTEOSA-N 431.357 0.748 50 20 ICGD C[C@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NC(=O)C1CCCC1 728344117 TUGMNEWZCJNFNG-DYVFJYSZSA-N 433.461 0.602 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372889 VHPABIURVNHNFE-FZMZJTMJSA-N 447.966 0.774 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 730073287 LDLCJXRZMXKUOW-GFCCVEGCSA-N 441.579 0.997 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C 731477179 SXFCYTGALUITIW-BRFSQIRFSA-N 436.534 0.420 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc(N4CCCC4)n3)cc2)CC1 740082217 MEMZUUOHCBYHJD-UHFFFAOYSA-N 445.549 0.770 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 740812569 OUZRKCKNYINSRF-UHFFFAOYSA-N 446.551 0.085 50 20 ICGD Cc1cc(-n2cncn2)ccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 745413008 DQTRPAFMURCLRL-GOSISDBHSA-N 437.412 0.720 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 748622712 BAHAXVBXJYZCTB-XHSDSOJGSA-N 436.509 0.818 50 20 ICGD CC[C@@H](C)Oc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC 749444006 MBILDKSNXSCQIU-GFCCVEGCSA-N 435.506 0.907 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3cc4ccccc4o3)CC2=O)c1 749479065 YQRPUGQPNGUMBI-CYBMUJFWSA-N 442.453 0.894 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 749923166 PTWBNAVRBWKDST-UHFFFAOYSA-N 447.473 0.669 50 20 ICGD COc1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1O 756838354 MEHZWOLYVJPNGI-STQMWFEESA-N 446.464 0.700 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)c1I 757780048 KWURDIXMOUHGCI-LURJTMIESA-N 444.226 0.521 50 20 ICGD CCCc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc(Cl)c1 758037960 BJIMEDRZFOTCBG-SNVBAGLBSA-N 428.902 0.572 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759551650 XKNJGHQYECPRNL-UHFFFAOYSA-N 429.543 0.888 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCCC[C@H]1N1CCOCC1 763607236 CSHUFRWATBDHHP-QZTJIDSGSA-N 431.541 0.667 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763804403 MQPLSGCHECZQBJ-ZDUSSCGKSA-N 432.393 0.135 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763814078 OHQAIDVTWAYEPG-UHFFFAOYSA-N 425.401 0.091 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Br)cc1F 763916254 FKJYGAKMAWINLQ-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764168918 JBFXFHNUGDFPLL-UHFFFAOYSA-N 438.437 0.578 50 20 ICGD O=C(CCC1CCCCC1)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 764218967 XIHLBZOIHAGXOR-UHFFFAOYSA-N 434.497 0.188 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1CN1CCNC1=O 764350795 LRWXSQURKHVBFN-UHFFFAOYSA-N 447.455 0.797 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 764831995 UGFIYICCFGBAML-CQSZACIVSA-N 427.479 0.487 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 765244171 SDPXXIPZBRTATD-JTQLQIEISA-N 425.423 0.437 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(F)cc2Br)c(=O)n(C)c1=O 767763218 FKFZAZKTHSGITE-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1O 773393540 UPQRMYCLPGECAR-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2ccccc2S(C)(=O)=O)c2ccccc2c1=O 785688756 GPDUPKINPBKCIE-UHFFFAOYSA-N 428.470 0.824 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(Br)n1 793021636 HQGNSGORARTSOA-UHFFFAOYSA-N 438.194 0.917 50 20 ICGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 795315725 YGWKRKXHKIBHNA-UHFFFAOYSA-N 447.517 0.808 50 20 ICGD COC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 796291645 FMNYMPPNCCQZFC-QGZVFWFLSA-N 433.383 0.892 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c(C)c1 797007187 NKUYTAJDRFGPNL-UHFFFAOYSA-N 428.445 0.423 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 801110729 FMKLGYPLWDDXFG-INIZCTEOSA-N 426.408 0.340 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 810971413 YFKRWZMAXDTAFJ-UHFFFAOYSA-N 428.511 0.644 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccnc12 812733558 WYSOJAOFYQUNGM-UHFFFAOYSA-N 432.462 0.913 50 20 ICGD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779463 HALJMEHFBQDIBT-MRXNPFEDSA-N 434.493 0.965 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 817052587 HZCJJWKIGFMWQX-HNNXBMFYSA-N 430.486 0.899 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnn1-c1ccccn1 914811127 RXJTXRTUMZXZAI-QGZVFWFLSA-N 437.412 0.720 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNc2ncccc2C#N)cc1 916641209 HEGBTALRBYCRQE-UHFFFAOYSA-N 445.505 0.325 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc(S(=O)(=O)N(C)C)c1C 916829413 XIOBKEPUMQXOJA-HUUCEWRRSA-N 440.566 0.814 50 20 ICGD C[C@H](Oc1ccc(F)cc1Br)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886785 UXNXQDZHWMOPHI-WPRPVWTQSA-N 438.275 0.873 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1CCC(NC(N)=O)CC1 920600727 WKTSCYQJYRYDCK-UHFFFAOYSA-N 426.857 0.880 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 1248382398 REEZXJCNSGBZJC-QGZVFWFLSA-N 448.453 0.381 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=S)NC(C)C)c1 1340363055 DDRWGQRQUXXKFL-UHFFFAOYSA-N 429.568 0.351 50 20 ICGD C=C[C@H](COC)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1342746601 GKBFIHGDQPTKAF-MRXNPFEDSA-N 440.522 0.172 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778741507 ALRBGYWIUHCERE-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779295327 IKGDCEDZSSZWCP-LJQANCHMSA-N 433.541 0.730 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)o1 1779739737 BOYTYJICDWQMNY-IIBYNOLFSA-N 435.525 0.792 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780404872 WMKVEJLNFMTEGG-JOCHJYFZSA-N 448.568 0.843 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1780729466 VVMFITORYJEMMH-JOCHJYFZSA-N 431.537 0.569 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](Cl)COC)C2)n1 1782172517 DPVUZJXGOANTJV-WRWLIDTKSA-N 442.944 0.911 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782634834 SRWBBMIROPXBSP-QGZVFWFLSA-N 427.299 0.730 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)[C@H](F)Cl)CCO3)C2)C1 1784015950 XADMYVWNTRGGSL-FASAQXTFSA-N 449.907 0.723 50 20 ICGD COc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979747 DNZLTXQQQXZVQN-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD CC1=CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1788101058 NVPHIRJEJTVAJN-LGYWMIHWSA-N 426.322 0.706 50 20 ICGD O=C(CN1CCCC1=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140638 DHICLFBAJOODDQ-UHFFFAOYSA-N 435.289 0.737 50 20 ICGD O=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)CCN1 1788143548 MIQOFXKLHGVLKA-INIZCTEOSA-N 435.289 0.640 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611320 UIAHZTQXIDEQGJ-QKWUAHKBSA-N 429.521 0.715 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(Cl)cc2nn[nH]c12 1789280488 IQHKVLHHNCCYEW-GGZSPTBLSA-N 442.303 0.804 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1789865755 FGECKDJXTKMCRE-RVOMIOKESA-N 433.292 0.717 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1790575048 YHKOYSLBQQZSTG-CYDGBPFRSA-N 435.388 0.234 50 20 ICGD O=C1NCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](F)Br)C4)cc21 1795350489 MUNJXCFXQATPRM-BSTOTGJRSA-N 428.262 0.569 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccoc3c1)C2)c1ccc(B(O)O)cc1 1795734795 QXADGLZJCHOTNP-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736331 ZOLPKMNCLSXSIG-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnc2)cc1 1795934493 WXBIQBLPJYFTCW-GGPHIMKMSA-N 439.520 0.892 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1 1796603164 ISGSFICNPQEVSD-OQMKEHIESA-N 426.857 0.755 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1nnc(C)o1)C2 1796892260 SVGVGABVKSCRST-NHDOHCAUSA-N 427.465 0.693 50 20 ICGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(Cl)Cl)C4)c(C)n2n1 1796925782 BESODUJUWSLYKN-GNXNZQSNSA-N 427.292 0.748 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797749822 XCLVRQCWBJIJKU-DPIQGUFMSA-N 445.501 0.272 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888234 AEZPATROMRGSDR-NRWUCQMLSA-N 425.283 0.393 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1800762404 RRQMXZJOXRXENT-FMSGJZPZSA-N 434.331 0.884 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 1800979367 CCYPHEPKFFFSJX-XRGAULLZSA-N 434.880 0.792 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)n1 1803139499 QFEJRTPTADCABB-BPQIPLTHSA-N 435.912 0.844 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803543946 PHLSWDOJAJWJQV-LKUPVBHCSA-N 435.289 0.119 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803598722 SKGNCTFYXKLQAY-FXAWDEMLSA-N 446.552 0.375 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cccn1 1807374796 NLGNRBOUEXLOHS-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)[C@H](O)CCl)[C@H]3c3cccnc3)CC2)CC1 1807927503 NWKZONUXTBXVGX-OTWHNJEPSA-N 449.983 0.467 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)cn1 1810297383 BTUHFNALHNQHGD-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@H](C)O)[C@@H]1c1cccnc1 1812855393 CGJUPWZPBRBCEN-PJTWFBBKSA-N 426.477 0.602 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)on1 1813071313 RVVKQAKYCQTTQW-VGOFRKELSA-N 442.520 1.000 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnccc3F)sc2C1)c1ccc(B(O)O)cc1 1815964386 BYTHAWBSMKRQSG-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1825355913 ZZIDAYAZAXDJFO-GOSISDBHSA-N 425.298 0.042 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1827053083 BIQNDBLMHFHFNP-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)C(=O)O 1828078125 RURPUTPRKJCBHT-PGJNLMOESA-N 429.263 0.080 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 1828923594 NNKAYJVWHLQXIF-GOSISDBHSA-N 425.493 0.955 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832715806 BQGGPRMQMBHAJK-KBXCAEBGSA-N 432.304 0.334 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273751 FAFLVKKGJQNQFC-KRWDZBQOSA-N 428.283 0.175 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833675976 BVNLODUTEYCFDJ-UHFFFAOYSA-N 441.960 0.375 50 20 ICGD O=C(/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)NCc1ccco1 1837637317 HUWBILPRHATHDO-JFZXIXNHSA-N 443.859 0.443 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1O 1839425695 ZSBRHVSRSOCOON-QRWLVFNGSA-N 442.896 0.461 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839780135 AGCPIABIASPMGP-HDMKZQKVSA-N 436.958 0.428 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840035697 AUNMUDBZLBIQEC-ACJLOTCBSA-N 449.342 0.816 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)[C@@H](O)C1 1841348892 USDANKANOXZOHQ-KKUMJFAQSA-N 445.944 0.407 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc(Cl)n1 1843011798 UZHSRCSOFBZFMR-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD CCC1(C(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)COC1 1845909663 LFPBMXARVGBCFX-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1846842755 DFGOMEGLCJNNSG-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847499198 UEGCISCTSPOJAE-DHMWGJHJSA-N 438.326 0.828 50 20 ICGD O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(S(=O)(=O)NC2CC2)cc1 22903803 SNIFXEHPGDVAOT-UHFFFAOYSA-N 427.442 0.439 50 20 ICGD Cc1oc2nc[nH]c(=O)c2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 28665169 KUFZRPQESHYSTQ-UHFFFAOYSA-N 445.457 0.684 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c2ccccc2c1=O 728151342 ZBOOLRZKHNUUKM-UHFFFAOYSA-N 425.405 0.374 50 20 ICGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 734118497 JBZJDHGFPZVEAY-UHFFFAOYSA-N 428.879 0.791 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 745861675 DMGNDOFNCGPWRZ-MRXNPFEDSA-N 441.602 0.668 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)c1 746587780 SRQAVMZUQYDYLL-UHFFFAOYSA-N 447.517 0.810 50 20 ICGD O=C(COC(=O)c1ccnc(Br)c1)NNC(=O)[C@H]1COc2ccccc2O1 762942361 UPMWSVIAOURMIQ-CYBMUJFWSA-N 436.218 0.988 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)C(=O)N1 763536479 QQTXRQGMPOTZNK-CYBMUJFWSA-N 433.424 0.773 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)ccc21 763686161 KVFBMISENVZKRS-UHFFFAOYSA-N 431.836 0.695 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763843420 QKDFNHOKHNJVQB-UHFFFAOYSA-N 441.412 0.923 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1 763997192 YKSXSQZLDSGHFL-XQNSMLJCSA-N 446.489 0.238 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764033947 PYFBQTVNVCSBSB-UHFFFAOYSA-N 440.478 0.657 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1 764168138 NJMMATSCBVLAIF-UHFFFAOYSA-N 448.501 0.930 50 20 ICGD NC(=O)C1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cc2)CC1 764314103 SHXRVENXSKUVNL-UHFFFAOYSA-N 441.463 0.856 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 764378882 ONQMINNTOBOSHY-UHFFFAOYSA-N 439.396 0.774 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 764398888 IJMQHKLDHHUOJF-BZUAXINKSA-N 448.520 0.942 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC[C@@H]2CNC(=O)OC(C)(C)C)n(C)c1=O 764812303 IPUKQKZTFCCXCT-GFCCVEGCSA-N 447.496 0.231 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 766264169 FCUPVFRFLBVZNS-CQSZACIVSA-N 429.437 0.868 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C#Cc3ccccc3)CC2)cc1 766635726 DRBVGSSHGGVTAS-UHFFFAOYSA-N 440.525 0.500 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCCOc3cc4c(cc32)CCC4)n(C)c1=O 768483173 ILELWEQMVXVHJD-UHFFFAOYSA-N 436.472 0.616 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2=O 768569561 DGBFMMAPGUCLTN-OAQYLSRUSA-N 426.477 0.915 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc(OC)c1OC 768912558 OBQSHYANUDZQJQ-NRFANRHFSA-N 442.428 0.842 50 20 ICGD Cc1cn2c(=O)c(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cnc2s1 772563836 FCHORADKNCSLTO-UHFFFAOYSA-N 441.878 0.440 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1 773081686 IPULQDQOUBWRJH-UHFFFAOYSA-N 435.462 0.040 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 775213324 VSNAHOAVNDNFSM-JTQLQIEISA-N 441.428 0.991 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)NCC(=O)N1CCOCC1 776637817 GAPADDKQWPTEPD-UHFFFAOYSA-N 442.472 0.834 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)c1 778592079 FJOBFWMTUMDZSJ-BQYQJAHWSA-N 427.442 0.922 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)N[C@H]1CCS(=O)(=O)C1 780906953 HCAWQMPTOFMECN-HNNXBMFYSA-N 447.517 0.674 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCS(=O)(=O)C1 783428646 XXMJONMNEGUVLB-HXUWFJFHSA-N 436.534 0.886 50 20 ICGD Cc1nccn1-c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 784003998 SYFCFWAUUZZDAT-UHFFFAOYSA-N 427.446 0.153 50 20 ICGD O=C(COC(=O)c1cnn(-c2ccc(F)cc2)n1)NNC(=O)c1cccc([N+](=O)[O-])c1 786142862 IKYSHOIRNKOVDD-UHFFFAOYSA-N 428.336 0.933 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)c2ccccc2c1=O 790461404 FQQKBMHMEYISPE-OAQYLSRUSA-N 425.445 0.099 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 795177138 JIYQZJPTKMCNPT-UHFFFAOYSA-N 426.520 0.910 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 802721082 SQBPDIQKHOJBMB-UHFFFAOYSA-N 436.309 0.814 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3ccc4c(=O)[nH]ccc4c3)ccc21 803432899 HTHDESBEGASQRN-UHFFFAOYSA-N 435.444 0.976 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ncccc2C)nc1 813496825 SGMIAWYMCIKEJV-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD Cc1cc(F)c2c(c1)C(=NNC(=O)C(=O)NN=C1C(=O)Nc3c(F)cc(C)cc31)C(=O)N2 914772469 YVQZGCQTYPDEGR-UHFFFAOYSA-N 440.366 0.827 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=S)NCCCN1CCOCC1 916111185 AUUZUUAXRIWTSZ-UHFFFAOYSA-N 434.610 0.416 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 916530421 BHLNZSGUVXOKCA-UHFFFAOYSA-N 445.501 0.714 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916830406 VYLVKHDCPLOPFI-OWCLPIDISA-N 446.529 0.988 50 20 ICGD CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC 919877583 AGKKXMQTVPYZNW-HZMBPMFUSA-N 447.945 0.695 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)NC2CCCCC2)c1 920223601 NBIWMJLVPSABED-UHFFFAOYSA-N 425.511 0.447 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1318287063 POAOOLHQCNTSKV-UHFFFAOYSA-N 446.556 0.014 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 1319150226 OSSJCVFUEOPQMH-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781226491 ZGMQBESFFMYZAZ-WQVCFCJDSA-N 444.381 0.380 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782172264 RLNOWFHLKGAADM-STXHMFSFSA-N 441.912 0.069 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782594647 AATSQVABSKZIBS-UMPJEAMMSA-N 443.346 0.779 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785650338 WUFQJNHJPPLMMP-VWLOTQADSA-N 448.328 0.615 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637399 RCMOMWTZOUCRTQ-FHWLQOOXSA-N 448.564 0.038 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1ccnn1 1791100525 MVMSFTLLNOKUFR-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1N(C)C 1792978764 ORUHFQMUAOGLFT-KPEUIFRASA-N 425.913 0.564 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792981401 XNCRJMHTNBSJSI-BAESOJJISA-N 432.304 0.937 50 20 ICGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)n1 1793989550 XDSCLOLHBCTZJZ-OXUXUCFPSA-N 430.274 0.913 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(F)ccn1)c1cccc(B(O)O)c1 1794295786 DKMPPXMZCCKKLE-ACDBMABISA-N 425.269 0.785 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCC3)C2)c1cccc(B(O)O)c1 1795737180 BASMCKWGZVDNRA-RUMRUAAYSA-N 448.328 0.301 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(Cl)cnc1O 1796185848 WKAOTWJIHAZRFN-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(N2CCCC2)ccn1 1796189181 HYDYFOYKFIBCKU-NUZGMZIFSA-N 448.332 0.927 50 20 ICGD CNc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1 1797750974 YEYSIZQDJQEJFP-CCWDJLKJSA-N 438.488 0.244 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)ncn1)C2 1798440043 VVYPSFZNLNUIOQ-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798496231 URQPXPVTDOFOIR-FZKCQIBNSA-N 433.896 0.929 50 20 ICGD CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799865895 PIBBVAALMBEQKH-BCDXTJNWSA-N 444.536 0.107 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800206059 DSNBXROHBPMZHI-XGYYKPKNSA-N 438.912 0.043 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208403 GNMZODAXEHTCNC-AZKPJATDSA-N 443.298 0.324 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncccn1 1805777593 ZSQUVUWMHILAAR-PKOBYXMFSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n1 1810091129 AKELXJHQVYQKQF-UHFFFAOYSA-N 426.282 0.145 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810214808 GJJXMTKAYWYGDN-AXAPSJFSSA-N 436.310 0.994 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)cn1 1810297386 BTUHFNALHNQHGD-KXBFYZLASA-N 448.487 0.447 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1c1cccnc1 1810308713 NBPOIAPCCCFNBS-FRQCXROJSA-N 438.488 0.436 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)Br)[C@H]1c1cccnc1)C(=O)O 1812863124 DBMMPQNOOGKOEY-ADSMDIBLSA-N 441.326 0.934 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050678 COEYHMWXEACKBF-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060659 WHLJCSATOVKYRS-VQTJNVASSA-N 448.394 0.714 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829855782 KGAGCRIZQPQOCM-LPHOPBHVSA-N 429.590 0.209 50 20 ICGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1829895021 YOTUCVJTRGXZBU-PBHICJAKSA-N 436.322 0.475 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735658 KRIKQLKKRQZXGG-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1831873759 WJMMDHDGBRQTJR-IBGZPJMESA-N 431.537 0.926 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833213508 SNKWHSIGGOZHIE-HNNXBMFYSA-N 441.960 0.421 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833475512 QJDQKUFYTXFALY-ZWKOTPCHSA-N 448.303 0.392 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833509764 XIWKYWSRQNNDIW-LRDDRELGSA-N 447.261 0.246 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833893849 OHXVLLCXPMGLID-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1)[C@@H](F)Cl 1835083893 YFRKDTRXTUHPDD-CYBMUJFWSA-N 430.830 0.771 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714414 UREYSSJTOKIGJQ-CJNGLKHVSA-N 438.974 0.265 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837330375 MEMRROLVVBVTDM-NVXWUHKLSA-N 434.921 0.942 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837803132 YPCDURAPZQBSAL-KRWDZBQOSA-N 429.315 0.882 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1838835579 OTPCXBOGVASTEG-BBRMVZONSA-N 449.277 0.189 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151024 FVUDAOHYKDTUHN-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212787 KBNYHGBMPXTLDL-QWQRMKEZSA-N 446.342 0.095 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1840151045 VBHSVFCPNVIIES-KBXCAEBGSA-N 446.957 0.489 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1Cl 1840151775 NHCQKFBYJSAAAD-KPZWWZAWSA-N 449.335 0.949 50 20 ICGD CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354286 RBSHMHKNHNGMGF-CHWSQXEVSA-N 429.901 0.716 50 20 ICGD COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9889655 FRAYZXGLWYFRFP-UHFFFAOYSA-N 446.485 0.560 50 20 ICGD Cn1c(=O)n(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c2ccccc21 14106935 FXMFRXKUKAGXDA-UHFFFAOYSA-N 436.516 0.700 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14894058 LXFQFWOSHAGVSG-UHFFFAOYSA-N 426.404 0.424 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccccc2F)C1=O 26695568 LTDRAEIDGMMUHB-HXUWFJFHSA-N 432.383 0.958 50 20 ICGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cc1 728853725 BNUHUQVSNOVAOQ-UHFFFAOYSA-N 437.499 0.995 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474475 OMPSENZWOLKJPP-UONOGXRCSA-N 446.501 0.412 50 20 ICGD Cn1c(C=NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(O)nc(=O)n2C 734750341 QQXFQQXVSWCYOF-UHFFFAOYSA-N 448.484 0.405 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 740851334 ZIGVZRFBCQKJSW-UHFFFAOYSA-N 438.550 0.856 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 740852118 LIHPXTADFKALQL-SFHVURJKSA-N 425.489 0.875 50 20 ICGD CCc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(C)C)cc1 741174592 DAQHAQUVCGGYKA-CYBMUJFWSA-N 435.506 0.813 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(Cc2ccccc2)C1=O 744878272 VANZOZRNINQKHP-HNNXBMFYSA-N 444.517 0.725 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)cnc21 746913209 UUKJCPSRAKOFGY-UHFFFAOYSA-N 431.792 0.306 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1F 752588427 UXZNXXLLCUVFON-UHFFFAOYSA-N 434.405 0.223 50 20 ICGD C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OCC 755382728 ZDZUXXFCNOABCN-KRWDZBQOSA-N 425.507 0.840 50 20 ICGD CC(C)(C)OC(=O)N1CC(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 762617963 KUEDNQSTHVPZRK-UHFFFAOYSA-N 426.495 0.901 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)ccn1 763101199 RQLWCOZFMCEYRK-UHFFFAOYSA-N 425.493 0.982 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(I)ccc2-n2cnnn2)n[nH]1 763138909 SPQJQIOBZGLOTB-UHFFFAOYSA-N 438.189 0.373 50 20 ICGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763570340 DOLLPYDVWYKPDX-HNNXBMFYSA-N 431.376 0.928 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 763574509 ZYSHALKBLOQVMU-SFHVURJKSA-N 438.440 0.735 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1OC 763574549 DEVDVXNNZMNEKV-OAHLLOKOSA-N 431.401 0.638 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1F 764162184 AFDXOCRITURXME-MRXNPFEDSA-N 425.380 0.199 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1N1CCCC1=O 764162762 GAKRQUDPNVCZJR-GOSISDBHSA-N 438.440 0.912 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 764299561 FHXJGERQNVWHNR-LBPRGKRZSA-N 432.355 0.555 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 764397815 NOIZGIILUGYHOI-OWCLPIDISA-N 436.509 0.433 50 20 ICGD NS(=O)(=O)c1ccc(F)c(CNC(=O)NNC(=O)CSc2ccccc2O)c1 764406907 LQXUGINONQWYEY-UHFFFAOYSA-N 428.467 0.801 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNC(=O)c2cc(F)ccc2Br)n1 765246452 YHTMAHQKYYVEEN-UHFFFAOYSA-N 436.219 0.982 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 766309440 ZKGFDYOWWVZROH-AWEZNQCLSA-N 441.849 0.354 50 20 ICGD CCOc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 768238797 FDPFELRTKPVPHL-SSDOTTSWSA-N 441.293 0.416 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C2=S=C3CC[C@@H](C)CC3=C2)n(-c2ncccn2)n1 768239445 ZSOBBIOFEJFFOP-LLVKDONJSA-N 439.501 0.895 50 20 ICGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 770307018 NGZJCGZUOSJYOY-LBPRGKRZSA-N 426.499 0.463 50 20 ICGD C[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@@H]1CN(Cc2ccccc2)CCO1 770397854 QODBMZCQUXNMCW-CJNGLKHVSA-N 426.481 0.985 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-n2cnnn2)cc1 770598176 HERBWKFVGLUYQV-GFCCVEGCSA-N 427.371 0.755 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 771151008 WTZJCIZWZQGEHX-OAHLLOKOSA-N 445.450 0.347 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1C 771864186 ZNMMSPSIMNZABS-UHFFFAOYSA-N 443.485 0.982 50 20 ICGD C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)NNC(=O)CC 771963128 MSRYADXZWQPLNJ-ZSEKCTLFSA-N 428.445 0.641 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 776619339 VYTXNIQYUVFXHY-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD COc1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 777281787 KFWGEOXHOUNDSO-LLVKDONJSA-N 428.463 0.257 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n[nH]1 778687378 CYCOXJSIADQDSR-UHFFFAOYSA-N 446.489 0.749 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1O 780379864 MVKAZEMTXUGSRU-UHFFFAOYSA-N 429.476 0.274 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)ccc1-n1nnnc1C(C)C 783425972 KSBYDTSUROHTJH-SFHVURJKSA-N 435.510 0.231 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)n(-c2ccccn2)n1 783426927 PDQPDYOISMVPMP-LJQANCHMSA-N 434.522 0.701 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1=O 785659413 ZWDLKAYAWJSEKT-ROUUACIJSA-N 430.505 0.632 50 20 ICGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 795311194 GNASVMOKRRHIGF-UHFFFAOYSA-N 429.451 0.803 50 20 ICGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 800333840 AIVUDXRLBPZSNB-KRWDZBQOSA-N 438.960 0.688 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808257944 PTVSGIWJSYRNDD-GFCCVEGCSA-N 443.551 0.013 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)CSc2ccccc2O)cc1S(N)(=O)=O 812431610 MYTXYTAHPKVZNH-UHFFFAOYSA-N 440.503 0.671 50 20 ICGD C[C@@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1)C(F)(F)F 815692564 UYCINVOWKNXYHN-MNOVXSKESA-N 440.382 0.956 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 816883816 LELXWBZHBOJQDS-AWEZNQCLSA-N 445.439 0.706 50 20 ICGD CSC[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 859448653 QTRYBGXIHPNYIY-OEUWWYETSA-N 447.513 0.881 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c2ccccc2c1=O 915190535 BZKQPFOKPPQJKP-UHFFFAOYSA-N 447.473 0.678 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCOCC3CC3)nc2)CC1 916200825 RIMMGLZQQLSWHA-UHFFFAOYSA-N 426.543 0.461 50 20 ICGD CNC(=O)c1cccc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 916603237 JALLVEOFAQCJCC-UHFFFAOYSA-N 447.517 0.506 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc([N+](=O)[O-])cc1 916746531 SUSKELYYZJOEGJ-UHFFFAOYSA-N 430.398 0.977 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NCc2ccco2)cc1OC 920889671 HAIFUJAACVYPSN-UHFFFAOYSA-N 426.451 0.496 50 20 ICGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779031819 YNOSHKVYXPVUNC-XMSQKQJNSA-N 446.552 0.151 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1779695151 KMBZTLRPOZEUBK-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2)[C@H](F)Br 1780771099 CITKTSYNYYMPLN-ISTRZQFTSA-N 434.306 0.813 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1781760022 JOFCKHTWONBJFO-CXAGYDPISA-N 428.258 0.920 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781776623 DORNKUSFLCWILI-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD Cc1cc(/C=C/C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)no1 1782215177 XHACUMSQQXKMNI-OSSDRBRWSA-N 447.536 0.883 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783529158 FHURFFGWIJJPHU-IAQYHMDHSA-N 430.259 0.405 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1783533027 KXSSLQPZGLZIDE-VIDVPJGOSA-N 442.354 0.998 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784138785 AJSRMKCLPPQUEB-APVMOLGOSA-N 445.520 0.501 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979865 MNBFEHLVTYIYNK-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C[C@@H]21)[C@@H](F)Cl 1787448648 DSYLDIRHUPNQIX-GZCFXPHUSA-N 444.916 0.406 50 20 ICGD CCc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)co1 1788991917 SOTZLDWPUIRIDS-NUTKFTJISA-N 442.476 0.143 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792124293 SWFCUOXOSVXCRA-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2)[C@@H](O)CCl 1792978161 HTMVHYVMAZDQIM-NBMJBFSESA-N 437.924 0.326 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794345812 MLYZUYQLFUISBO-OXIQGZBJSA-N 429.315 0.805 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(C)s1 1794548979 LXRGIAMVMZZUGP-QQGSHNGGSA-N 444.517 0.789 50 20 ICGD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1795593191 AKENYCITOAWQPP-YVWYUNDQSA-N 448.476 0.723 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191096 YRJLREXEQNMACQ-REPLKXPHSA-N 436.273 0.917 50 20 ICGD CCC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1 1796386386 VUWIDOKJNZMEHW-BMQTXXJKSA-N 433.553 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc(CO)[nH]c2c1 1796871863 KQBYASCJJDIDJP-AHXJXLJNSA-N 436.896 0.512 50 20 ICGD NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1799625264 OVVQOWBIKNVGBT-RDBQEKCUSA-N 428.258 0.679 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1799810019 ABUNCHKJRHUTPK-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(=O)C1)C2)NC(=O)NCc1ccccc1 1799869166 JSJWTNYFDXXSNY-REPLKXPHSA-N 441.532 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn(C(F)F)c1=O)C2 1802337179 IWOGRHCTOKOMFT-BTTYYORXSA-N 439.463 0.868 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1804490364 BRXWOUCULOIWCG-DYESRHJHSA-N 449.276 0.015 50 20 ICGD COCC(=O)NC[C@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1806490249 VEXQJJNCVKRJHW-FTVRPSQGSA-N 426.477 0.868 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1807519632 ZTRXRKCOWGARAR-JTSKRJEESA-N 441.536 0.437 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)on1 1815336732 BFVWMHUNFJMMSJ-CQSZACIVSA-N 440.290 0.588 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C1(O)CCC1 1817470111 JDAJGGBZCOKMDO-KDOFPFPSSA-N 440.309 0.947 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1818110415 FTUHJGKMPQAZIO-ZIFAQYRBSA-N 442.480 0.672 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823079662 OAPUHKIWLLXJQX-SWLSCSKDSA-N 444.322 0.850 50 20 ICGD COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826088303 CXBYYYVKNVHVTG-LLVKDONJSA-N 449.537 0.484 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)o1 1827055184 USNJQLLZZBKVEL-IBGZPJMESA-N 440.309 0.534 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1830364195 BLGOFEVSSDCULW-FQEVSTJZSA-N 438.912 0.742 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719223 AKOPRYGIQRIRRU-XAUMDUMWSA-N 440.928 0.048 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304438 IRSSQKKVWSNIPT-YWZLYKJASA-N 438.912 0.658 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833709448 WNTQBCMIPGEYBD-APPDUMDISA-N 447.305 0.721 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837246632 HRHUOBXQHZFSEI-PRPIBZDOSA-N 427.929 0.543 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1837836070 RXUVPPMUOTVKJV-CQSZACIVSA-N 429.813 0.244 50 20 ICGD C/C(=C/C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(=O)O 1837920826 IBVIHSDYIHZNCZ-PFONDFGASA-N 444.293 0.010 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839197374 SKKSCCILHUDGJB-WWGRRREGSA-N 435.246 0.460 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198173 WEGGMNLDGKJAGS-NVXWUHKLSA-N 447.305 0.647 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840032363 WKWYBFZKJFBMTD-MLGOLLRUSA-N 432.340 0.925 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840034293 HKFYNZMTDJJIJL-GUYCJALGSA-N 428.283 0.173 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354804 XMUWPINAFHSXLM-IAGOWNOFSA-N 425.888 0.676 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443516 JYFAQQWIYKZIRM-FNORWQNLSA-N 425.206 0.398 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2CCC3(CC2)OCCO3)C1 1845906209 DDJURDHVVVNYCZ-UHFFFAOYSA-N 428.294 0.117 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1846363976 PCSMRFRHTGJBBD-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846420875 DXQNKRLOESUKRV-KBPBESRZSA-N 442.944 0.848 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)NC(C)C)c(C)c1C 726613564 ICKDQMMHMZPXLU-UHFFFAOYSA-N 426.539 0.569 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215433 FFSICZKDFIVWMD-UHFFFAOYSA-N 446.595 0.527 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 729274451 LDXIVKHRYVESSH-JTQLQIEISA-N 429.886 0.798 50 20 ICGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 732048965 DOSHBVILISSMKT-UHFFFAOYSA-N 449.489 0.743 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 732110536 DHULPKOLLPVFCR-RRFJBIMHSA-N 448.505 0.684 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNS(=O)(=O)N(C)C)cc2)cc1 742024877 COHPHCRIVJWROG-UHFFFAOYSA-N 442.519 0.927 50 20 ICGD N#Cc1ccc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2ccc(C#N)o2)N2CCOCC2)o1 743441896 QEXFTKCWYMAJNB-SFHVURJKSA-N 437.416 0.307 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 743579741 SLBSKZUSRMZOGB-AWEZNQCLSA-N 445.501 0.488 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](CC(=O)NNC(=O)C2CC2)(C(=O)NNC(=O)C2CC2)C1 746092957 IXLVCKABJXSRKE-HXUWFJFHSA-N 437.497 0.119 50 20 ICGD COC(=O)c1cc2c(/C=C(\C#N)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc(OC)c2o1 749009707 GIYFCSHLKOQEFF-YRNVUSSQSA-N 438.396 0.997 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C#N 749754760 UMSVUNUDWTZVNZ-UHFFFAOYSA-N 428.879 0.791 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1ccncc1 755407573 APEWFNUAOQRKCY-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 756915007 XUCRSPJMNCOUQH-SFHVURJKSA-N 448.487 0.840 50 20 ICGD Cc1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1c(Cl)cccc1Cl 758043096 FHWGLRYNJVZCTP-ZETCQYMHSA-N 435.293 0.581 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 758045621 DRDBIFCKZALQQV-SECBINFHSA-N 445.548 0.013 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 761704005 YZSVVEUKCNYNOD-MRXNPFEDSA-N 437.566 0.524 50 20 ICGD Cc1ccc(C=NNC(=O)C[C@H](C(=O)NN=Cc2ccc(C)cn2)N2CCOCC2)nc1 761813335 RUWRMFHWVVSWRN-HXUWFJFHSA-N 437.504 0.785 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 763571667 NQLMFPLQIOCUSC-INIZCTEOSA-N 441.379 0.036 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763681877 KAGCYWNDCIOFJE-UHFFFAOYSA-N 430.392 0.943 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763735198 PKSVQCKGNPEFKQ-UHFFFAOYSA-N 439.472 0.480 50 20 ICGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)ccc1Cl 763745448 GKPUZOLOENLYDY-UHFFFAOYSA-N 429.864 0.978 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1 763809947 WLZVREYBUFKUPF-UHFFFAOYSA-N 448.501 0.848 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c2ccccc2O1 763810022 XCMLLHSVUBKXIM-KRWDZBQOSA-N 426.429 0.061 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814131 PXHUEJIMWSCAES-UHFFFAOYSA-N 434.412 0.923 50 20 ICGD N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764003124 YVHPMJWQSZNRJW-AWEZNQCLSA-N 442.453 0.871 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1 764115418 QBLKSFMIAYWYPS-JTQLQIEISA-N 438.428 0.943 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c1 764133465 UVPMLRSOSDLPOW-UHFFFAOYSA-N 434.474 0.240 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764165285 VIRVAGJJKGRSAZ-QGZVFWFLSA-N 436.424 0.425 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764187115 CEURDOGMKFGOGK-UHFFFAOYSA-N 432.477 0.976 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764279873 GRTZVNZHNIOZDA-UHFFFAOYSA-N 443.460 0.447 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cn1 764286346 JBVWSVCCADPTMV-UHFFFAOYSA-N 447.448 0.598 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)ccc1C 764345964 OKMOJHGXBARBPS-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 764384966 PBCQOWNGAMIEME-UHFFFAOYSA-N 442.457 0.792 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 764400982 RYPKVCFMDBKVGY-SSDOTTSWSA-N 446.388 0.755 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@@H](C)O)cc1 767303677 ISYAMBAMQNOZIV-FZKQIMNGSA-N 439.465 0.388 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccnc(O)c2Br)c1 770836670 ZNOUFTSPDKHZIP-UHFFFAOYSA-N 428.264 0.957 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 772192103 PCCHUYXTQPZNNW-INIZCTEOSA-N 433.509 0.636 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cc1 773653988 NZHKNKWYSMJUTP-UHFFFAOYSA-N 429.389 0.508 50 20 ICGD COCCCOc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 775279461 XOEAZSNYSNZFPW-SNVBAGLBSA-N 443.931 0.003 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 775333209 FPWLXHMBNJOSLQ-LBPRGKRZSA-N 435.462 0.615 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C 776077928 YOMNMPBWAWQPBQ-KXBFYZLASA-N 425.507 0.749 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440317 DYKZHKDQUFUBAI-ODXCJYRJSA-N 439.513 0.795 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cnn(-c2ccccc2)c1 780390237 PENCGSKQYFISLD-UHFFFAOYSA-N 449.514 0.746 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCS(=O)(=O)C1 783425477 HZRBEAMVUNIYKT-LJQANCHMSA-N 429.458 0.882 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNc3ccccn3)cc2)C[C@@H](C)O1 784792963 NMEHOHHUFSDAEC-OKILXGFUSA-N 433.490 0.961 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785066446 AIYDYCUCTCWQEK-UHFFFAOYSA-N 436.472 0.808 50 20 ICGD O=C(COC(=O)c1cnn(-c2ccc(F)cc2)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 786139728 HTUGOANKFIQFPO-UHFFFAOYSA-N 428.336 0.933 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)NCc2ccc(Cl)cc2)cn1C 787432797 CDBFUSNVWIWCAY-UHFFFAOYSA-N 428.902 0.581 50 20 ICGD O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNc1nc2ccccn2n1 790133280 TWAQXRLSTCCWNI-UHFFFAOYSA-N 445.505 0.718 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1Cl 802076608 PJTLWIWDBGUJSR-CYBMUJFWSA-N 441.872 0.637 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 802113008 ZVDAYIGUSUKXHF-UHFFFAOYSA-N 434.840 0.704 50 20 ICGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816885915 LMRILFZSQLBQCI-ZDUSSCGKSA-N 436.494 0.217 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 818750264 HLSYFGLCWSIDHH-UHFFFAOYSA-N 449.327 0.256 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 912860869 GTKOWNHEUSEJIG-SNVBAGLBSA-N 431.392 0.997 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)=NN1c1ccccc1 913471308 XOODWJOVBKWIAU-MRXNPFEDSA-N 433.428 0.459 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccc(OCc3ccccn3)c2)c(=O)n(C)c1=O 915958821 YGCCFDRVGIASSP-UHFFFAOYSA-N 440.485 0.695 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 916249654 DFCNHAPOXAZBPJ-GJZGRUSLSA-N 441.554 0.380 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 917731045 IEEVYUJUWAUDSS-UHFFFAOYSA-N 432.252 0.952 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)c1nn(C)c(=O)c2ccccc12 1115815228 RCSYATWHZVNNBR-AWEZNQCLSA-N 442.501 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C4CC4)[nH]3)CC2)cc1 1319303055 OLAKROJAIRYQLU-UHFFFAOYSA-N 446.533 0.363 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@H](F)Cl 1778026433 UMACLFPNYHMLOR-HACGYAERSA-N 448.904 0.500 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1778119904 PTPHYOPGLNQDLN-IIYDPXPESA-N 436.322 0.963 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779453719 LBZRGYLFDOWMOD-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326334 NLWAGVZFEWHCOZ-TZMCWYRMSA-N 434.222 0.312 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccc1F)C2 1782211990 AFQIMHJVNJMVQD-IIBYNOLFSA-N 435.500 0.721 50 20 ICGD Cn1cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2n1 1782243062 VALHVGUFFBEESD-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783534554 LGPICINQOXBFOS-QIIPPGSGSA-N 425.327 0.565 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934307 DJFJKVZLVPSGGK-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD O=C(CCCn1cccc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784566166 PLWXWOHAMCMZCL-QFIPXVFZSA-N 425.294 0.092 50 20 ICGD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc(F)c1F 1785056403 JJGCQJAHZJNGPU-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc2c(n1)OCCO2 1787380823 RHFFCRYIMZZUQN-GMZLATJGSA-N 425.869 0.046 50 20 ICGD Cn1ncc(Br)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787777753 XDMQOGRZFLJCBP-UKJIMTQDSA-N 449.733 0.376 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788615030 NLXNKAMHMCOSRU-MRHIQRDNSA-N 439.409 0.686 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)OC(C)(C)C 1792762306 UAHQWBSRUNKCIR-RMEBNNNOSA-N 433.933 0.743 50 20 ICGD COc1ccc(C(=O)CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792976013 IXXJVXAPSKJSNF-ZDUSMZPESA-N 438.908 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2)[C@H](O)CCl 1792980009 BHOBCWFNQNLGSK-JGTCGTHISA-N 445.903 0.447 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793453532 BVUIZRNNFAMXEY-WPPMCKGSSA-N 430.509 0.673 50 20 ICGD COc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)n[nH]2)cc1 1796494626 FEOSIQKUNPKJMY-FTUNRGFVSA-N 448.907 0.888 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796585799 HFOBITLNMFLVTE-YWVIFJGQSA-N 429.315 0.518 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cc(Cl)ccn1 1797907350 DYIWMKUUGMUFFL-DMVWFOPNSA-N 432.304 0.957 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799808415 LHLCYMAOOXVWAK-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1F)C2 1801013292 ZZRVHOVOLIVZEK-USGNIVHTSA-N 438.475 0.470 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805650629 FEWXFJDUPVPNPF-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806564681 QIVOVFDFKMLYLX-UHFFFAOYSA-N 444.536 0.398 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360803 DBJODOVUOUTKMU-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361011 UUXXCADWADFIGD-IOMROCGXSA-N 449.272 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1c1cccnc1 1813071839 YRAWNXZAEOOGIJ-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)c1ccc(B(O)O)cc1 1815348579 QFCGZCFTOXVBIQ-ANQUJSFKSA-N 441.318 0.616 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCC(O)CC1)CC2)c1cccc(B(O)O)c1 1815361663 MWOWMRUEHARWRB-NRAUKZCXSA-N 443.334 0.600 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824657864 CHGGFBMXIZBQIF-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1826004130 CZSZOZDRCGJESX-NXEZZACHSA-N 433.987 0.793 50 20 ICGD COc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080510 OUDCFVAWTCWZJR-LLVKDONJSA-N 447.521 0.541 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@]3(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826261947 QDTONVRKYLHPHY-SEDUGSJDSA-N 437.689 0.973 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722597 FKPRWGNQIPQBCY-IFXJQAMLSA-N 439.852 0.604 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2c[nH]nc12 1830735538 IERUDTBGSIXXKG-JXFKEZNVSA-N 436.896 0.541 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833061928 HGEAUULFRQPTMP-LPHOPBHVSA-N 429.901 0.280 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1C[C@@H]1C1CC1 1833246361 FLGVYLJPZIJILZ-FGZHOGPDSA-N 439.365 0.598 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1 1833312657 VHLGSAWLZQRXDL-QGZVFWFLSA-N 440.976 0.818 50 20 ICGD Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1833898935 HFZCWGCACAOHOJ-CQSZACIVSA-N 431.310 0.691 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833979212 BYXLOBAFSRMYKI-GUYCJALGSA-N 427.299 0.720 50 20 ICGD NC[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccccc1 1834757513 YXVBZCLYOLXKME-PMACEKPBSA-N 436.984 0.900 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834818783 ANXGKDAQBZHCEW-QGZVFWFLSA-N 429.315 0.758 50 20 ICGD O=C(CNC(=O)c1ccco1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834867565 GYUBEMYMHJWWQB-MRXNPFEDSA-N 440.928 0.181 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1835833655 ZWFIVSRMNMXBAC-KRWDZBQOSA-N 441.649 0.002 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836413755 ONMOPSITUHFENL-XHDPSFHLSA-N 435.338 0.760 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097043 JRUBBUGDRBXFCG-HNAYVOBHSA-N 426.901 0.153 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842166 WUPCIEWVRZYYKU-KRWDZBQOSA-N 442.633 0.429 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838026565 SZNGTLZVYINUSP-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031324 MFCXGMNVUCFCEJ-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840153901 FJAJSXZEQQQIFB-CXAGYDPISA-N 435.308 0.397 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1840155999 HAWMIFRRAFCRNG-URLQWDBASA-N 428.917 0.463 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1F 1840700430 RBJVRAZGWPQXFO-IFXJQAMLSA-N 432.851 0.943 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3ccccc3O1)C2 1844265283 NPTMNGSVGZWOSZ-LJQANCHMSA-N 435.484 0.896 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2)NC(=O)NCc1ccccc1 1845038317 PFXRTWPSRQKXFQ-MRXNPFEDSA-N 437.928 0.136 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1sc3nccnc3c1N)C2 1846384581 JUSLOGQNEMFKQS-UHFFFAOYSA-N 431.522 0.464 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1NC(C)=O 1846385375 XWCZIALWVCUSJB-UHFFFAOYSA-N 445.520 0.844 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846389449 PPRNEUQGUVHAJJ-JTQLQIEISA-N 437.324 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O 1847598567 IMZPRFOGKUCSMZ-HZEGPAAWSA-N 449.511 0.797 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cnc3n(c2=O)CCS3)c2ccccc2c1=O 15722138 UGRZLZCSAGASIT-UHFFFAOYSA-N 426.458 0.715 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1nnc2ccccc2c1=O 16258670 KUUZDTNLTLBYKV-UHFFFAOYSA-N 445.819 0.458 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cnc4c(c3)c(O)nc(=O)n4C)cc2C1 727749092 LBSPZHSMMVPZGZ-SECBINFHSA-N 449.514 0.844 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 728344581 ZWHPWFZLOHQWMC-INIZCTEOSA-N 427.417 0.221 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@@H]1CCCO1 728378146 CUKKOPIHJAKHOM-FMRALYGJSA-N 434.518 0.773 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2ccccc2C)c1 730021856 PMZRXYUYJVZBTD-CYBMUJFWSA-N 433.490 0.874 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 735445923 IWVVIPVZRCSUIX-UHFFFAOYSA-N 427.870 0.169 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccnc(N(C)C)n2)c1 740108203 ULNTZUMXVZIDPF-UHFFFAOYSA-N 449.537 0.446 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)N1CCCC1 741683912 SXSOHPNRIKIEBE-HNNXBMFYSA-N 433.534 0.708 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(Cc3ccccn3)nn2)ccc1Cl 742478239 NLYKIAUYWSLIEM-UHFFFAOYSA-N 435.853 0.097 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 746096768 MIEJCTKXGRCWQC-UHFFFAOYSA-N 435.488 0.302 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1 748247284 XCFGWJTWXOTGCJ-GJZGRUSLSA-N 436.534 0.737 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 749769487 PVMWZGUJZRFHDA-UHFFFAOYSA-N 426.492 0.505 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1 750645273 ZUSKZHWBXJQKOA-HNNXBMFYSA-N 439.538 0.670 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 755742758 CMUXDEZCMSWGFQ-LLVKDONJSA-N 432.524 0.493 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(O)c1 756838429 MRMCJXORBRAKPW-OKILXGFUSA-N 430.465 0.999 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763431898 WBSJMUSOKKMNGF-JJIBRWJFSA-N 443.485 0.899 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 763549986 CRYILCMPSDWAKO-UHFFFAOYSA-N 426.385 0.329 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763664149 ROCAJONKGJPKTN-UHFFFAOYSA-N 446.435 0.836 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1cccc2cccnc12 763824993 SWUUKMBQKZHOSC-UHFFFAOYSA-N 430.428 0.710 50 20 ICGD CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917057 OITPMFQWOXTWJS-UHFFFAOYSA-N 428.840 0.781 50 20 ICGD Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763997008 HREGAWYHRVBIDV-LBPRGKRZSA-N 449.514 0.457 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764176778 GNAVVZSYRYNCBS-UHFFFAOYSA-N 429.458 0.646 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COCc1ccccc1)S(C)(=O)=O 764362189 AKYXYCCUTJVXFU-UHFFFAOYSA-N 434.474 0.385 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 766830097 XJNUKOUPOMOOSQ-UHFFFAOYSA-N 448.520 0.831 50 20 ICGD CC(C)(O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 768255422 JIRMKPXHZJZESQ-GFCCVEGCSA-N 435.340 0.961 50 20 ICGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 770770354 KXGGLIWDZMSILS-NSHDSACASA-N 449.327 0.826 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccccc1O 772521389 JWSSOCHPJYCVBI-ZDUSSCGKSA-N 437.478 0.797 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 772635832 FYHCFTXXJMDNJT-UHFFFAOYSA-N 438.452 0.679 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)nc2-c2cnn(C)c2)c1 780156352 LWPMSPXLGZBIOG-UHFFFAOYSA-N 431.478 0.146 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN2CCN(C)C(=O)C2)nc2ccccc2c1=O 780695850 VUVHKCOULHWVGQ-UHFFFAOYSA-N 430.509 0.429 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 784850730 BFJVIXOCTTYICG-UHFFFAOYSA-N 432.458 0.996 50 20 ICGD CCCc1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cnn1-c1cccc(C#N)c1 785995287 WFEWBZUOSBVHGT-HXUWFJFHSA-N 444.517 0.833 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2c1=O 793035151 LHOBAMQMNBMYHR-UHFFFAOYSA-N 432.440 0.754 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N(C)CC(F)(F)F 793712527 VRIZBLRNPFEYOQ-CYBMUJFWSA-N 437.488 0.948 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 794210496 JGTQZCCACGIQKF-UHFFFAOYSA-N 447.498 0.957 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(F)ccc2Br)CC1 796124593 XXRBDYVAYRFYNQ-UHFFFAOYSA-N 437.291 0.525 50 20 ICGD COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 799797662 NIEVTYMLFQGZNA-UHFFFAOYSA-N 427.342 0.992 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)c1 800622346 BBLVUJLLZWDMAR-UHFFFAOYSA-N 439.472 0.226 50 20 ICGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N=c1cc[nH]cc1 802034322 IZYFDVZUGNQNKX-HNNXBMFYSA-N 430.490 0.810 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3(N(C)C)CCCC3)nc2)CC1 915897572 GGRMPIHFIFBDBU-UHFFFAOYSA-N 439.586 0.518 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccn2)CC1 916390776 XIHPBFYHOFRTDP-SFHVURJKSA-N 426.477 0.504 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C(=O)c2cnn(C(C)(C)C)c2)cc1OC 919431900 LPEFSHLXBHCZBA-UHFFFAOYSA-N 432.433 0.842 50 20 ICGD O=C(NNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 919889590 PGNLJVUTXCVGMI-MRXNPFEDSA-N 428.474 0.611 50 20 ICGD O=C(CCc1nc2ccccc2oc1=O)NNC(=O)c1csc(N2CCOCC2)n1 920259896 VTIRGDLMTYYSQT-UHFFFAOYSA-N 429.458 0.875 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257765 NOXVECFIZQCZJH-YJBOKZPZSA-N 431.375 0.095 50 20 ICGD O=C(c1cnn2ccncc12)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329408 FMWHJYPQPWSRHF-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1781998119 OFDNZPLGRXHSRF-GSDQYQHOSA-N 443.298 0.799 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1782002173 NVNVRDNCLSQQBU-WOSRLPQWSA-N 439.372 0.718 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783340044 WLDNQDRIEGKFCE-GEEKGILVSA-N 428.327 0.848 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)(C1)C2 1783445143 WASIILXUAZPPQB-YHHLXUBKSA-N 433.274 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3[nH]1)CCO2 1783935321 SHVPIMRNZRBYBC-NRFANRHFSA-N 428.493 0.379 50 20 ICGD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1785546661 IUQVBJWSISVAFR-AWEZNQCLSA-N 426.347 0.480 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979558 YAGLRPDFGFVNBG-BPUTZDHNSA-N 428.216 0.302 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981705 HGYNDQKEQTTYQE-KNBMTAEXSA-N 444.243 0.552 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1788764770 ACYDCFZDRBFWOR-JYJNAYRXSA-N 437.569 0.133 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791599343 IEHYDUFFPKXODJ-MRXNPFEDSA-N 432.525 0.940 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1793099577 AMFGAOSTPMZXKK-BVRUVYRISA-N 428.294 0.208 50 20 ICGD Cc1nc2ccccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190920 BSUXTYBDUCSYES-REPLKXPHSA-N 432.289 0.888 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)no1 1799347231 JGKPKQTUGBICAU-OWLDWWDNSA-N 447.261 0.592 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1nc2ccc(F)cn2n1 1800134487 XMMKHIKOVYKQIR-FQPOAREZSA-N 444.236 0.762 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800642952 FOJQPHVEKIOIKA-VJTDZRGJSA-N 437.356 0.327 50 20 ICGD C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012949 OFICNRYXENFCAK-FCQWJQKHSA-N 448.539 0.967 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802127074 OTNVSAKJBZYFFL-LVQVYYBASA-N 439.557 0.911 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363489 OUNTYVJVYZTRME-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366659 VFMVKJRZGPJILC-SXLOBPIMSA-N 425.294 0.098 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1811000171 SDZIERBHJWMTNY-UWJYYQICSA-N 448.288 0.945 50 20 ICGD O=C(CN(CCO)CCO)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1812716789 UCYQYCWVQHMGTI-GDBMZVCRSA-N 433.336 0.178 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1813030617 DTPLBWYRXAJIEJ-XLAORIBOSA-N 440.928 0.492 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@H]1c1cccnc1 1813069280 WNOFKSCTQCAIJN-ORYQWCPZSA-N 443.504 0.787 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354710 BLZGFLCBJZGMPP-VFNNOXKTSA-N 443.290 0.168 50 20 ICGD CCn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816559246 DPURKXXQJTVBSM-KRWDZBQOSA-N 436.281 0.926 50 20 ICGD Cc1nnsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818253877 OUEUBTXTLKLEAS-OAHLLOKOSA-N 440.294 0.869 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819363519 GPBPCWLNOZJJSR-ZWKOTPCHSA-N 440.309 0.969 50 20 ICGD CN1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)C1 1819404196 CZUVNTWUXUOOQR-MRXNPFEDSA-N 426.481 0.276 50 20 ICGD CN1CCN(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)CC1 1824182067 RUNKXYFCFLVHBV-RTBURBONSA-N 429.005 0.843 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049552 VYJZQTCWPOKHEF-FQEVSTJZSA-N 443.353 0.514 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830730612 BCDVDUFVHPZXOJ-YLJYHZDGSA-N 437.880 0.237 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831189114 VDDJJPUFRPNFCD-BVGQSLNGSA-N 438.352 0.594 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831888964 LHOZWAOADDURHU-PMACEKPBSA-N 448.394 0.714 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1ccc[nH]1 1832879041 MZZFJAFYYHKPSR-YJBOKZPZSA-N 430.864 0.125 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1)[C@@H](F)Cl 1835081185 MBUSAYXSWAGTGF-QGZVFWFLSA-N 429.880 0.667 50 20 ICGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835930692 URMIVBJXORNDHH-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835934174 OLUAQKHPBKPGDU-JOCHJYFZSA-N 444.337 0.263 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200501 LYWCZWGLKWNKBL-WWGRRREGSA-N 448.293 0.061 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571306 NIVRJKOKOIZVOQ-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840151742 MWKLVFFHBLOVRG-YLJYHZDGSA-N 425.913 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840516736 JSZMFNHVOTZXHD-NRFANRHFSA-N 436.509 0.042 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1840894315 KYZIOVXYCCPQEN-FDDCHVKYSA-N 446.548 0.620 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1Cc3ccccc3CN1C)C2 1846384182 NYSLTKAGUNTFAV-IBGZPJMESA-N 427.549 0.620 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1847149951 NMXODDFAABVDKT-UHFFFAOYSA-N 446.504 0.428 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)n1 1848095605 DCSHKZLZMXVITJ-AVGNSLFASA-N 426.905 0.763 50 20 ICGD COc1cc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1OC 17192323 NKFRHOPXBKWABA-UHFFFAOYSA-N 426.429 0.963 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 18995671 JQPCWLAHTNEOGD-GFCCVEGCSA-N 443.503 0.510 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 28777392 ODYKQSNWISLVRI-UHFFFAOYSA-N 437.474 0.703 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(OC)ccc2Br)C1=O 728609078 LULZRKIRZZARHG-UHFFFAOYSA-N 439.222 0.196 50 20 ICGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 729507428 UKZWRUQMJDABOZ-AWEZNQCLSA-N 429.481 0.109 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1OC(C)C 734686416 MSTKSESQVWGTTO-GOSISDBHSA-N 449.552 0.833 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 738506908 CTFHXGAWQATDKX-UHFFFAOYSA-N 442.501 0.971 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2c(O)nc3ccccc32)c1 753038931 RCSDLITVFZEJIA-UHFFFAOYSA-N 446.489 0.636 50 20 ICGD Cn1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cccc1=O 756852317 FKSDADSSAZWHTC-UHFFFAOYSA-N 440.481 0.939 50 20 ICGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)C(=O)Nc1ccccn1 758831448 GNXWZPJTOWEDJW-UHFFFAOYSA-N 441.263 0.404 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 763528352 YEGCRRHRAQCCKN-UHFFFAOYSA-N 428.470 0.981 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763569756 BGOLEANGMARABR-OAHLLOKOSA-N 435.339 0.677 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1C 763664887 LYZJPHAXBGNPFM-UHFFFAOYSA-N 438.444 0.353 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 763684885 PXGMALKBYNMJSU-MRXNPFEDSA-N 446.847 0.406 50 20 ICGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718423 LOGKXNRMJYGQPO-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1C(=O)OC 763812605 URKITPNLXQDYAJ-UHFFFAOYSA-N 443.412 0.733 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814977 YIUIVKCJSOZWBL-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 763871339 FVIGAKJKXYFKHA-NSHDSACASA-N 438.437 0.335 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2)C[C@H](C)O1 764335807 UARMEKDUDATAEE-STQMWFEESA-N 438.506 0.371 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764426039 SDDVGUODVZYHQD-CQSZACIVSA-N 426.857 0.323 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1nnc(O)c2ccccc12 764544353 HOFFRXVNSXYXGE-LLVKDONJSA-N 440.441 0.335 50 20 ICGD COc1cc(-c2nnc(SCC(=O)NNC(=O)C(C)(C)C)n2N)cc(OC)c1OC 768435340 HAPKIJMFCBBDEK-UHFFFAOYSA-N 438.510 0.970 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)ccnc12 769855848 WEIKUFXHDDAHBM-UHFFFAOYSA-N 425.401 0.832 50 20 ICGD COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 773958463 DBVFILPAURVECH-DZGCQCFKSA-N 429.901 0.455 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 775283732 DMYXUNVCSSVHGB-UHFFFAOYSA-N 434.566 0.473 50 20 ICGD O=C(CO)NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 777781433 SGSHNHZXQLWKGI-UHFFFAOYSA-N 443.831 0.899 50 20 ICGD O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccccc1Cl 779623184 YSCHROQVCCTGRU-CQSZACIVSA-N 444.941 0.227 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 784005362 XHBZBLMHMVYPMH-UHFFFAOYSA-N 444.517 0.016 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 784842953 CNKPHBONWHFDKG-UHFFFAOYSA-N 449.489 0.501 50 20 ICGD COC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCOCC1 785670060 LGVPNQUTPDNQON-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1-n1cnnn1 789824128 ZHPHKDCTCSUFFW-WMZOPIPTSA-N 435.444 0.629 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 792627983 CHUCOQNKCODTOW-SFHVURJKSA-N 442.394 0.886 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 793032763 QIICBVRTAIIKRT-UHFFFAOYSA-N 439.515 0.344 50 20 ICGD Cc1cc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] 797495511 FWFGYOBAPVGHJH-KRWDZBQOSA-N 445.384 0.813 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2)C[C@@H](C)O1 802031721 HRMKRNWEAUZTLN-OKILXGFUSA-N 433.490 0.768 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1 803438307 LOQHFIDVNZYYGL-UHFFFAOYSA-N 443.485 0.652 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3F)c3ccccc32)N1 806972761 KJHXXCUNUNCVGL-UONOGXRCSA-N 440.431 0.622 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)ccn1 806979402 SWUOCSMANDARPB-UHFFFAOYSA-N 440.416 0.897 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 806980941 ZQMXALYZJNVTDU-UHFFFAOYSA-N 436.465 0.713 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1OC 810385919 FFEZCIXJRJACSR-UHFFFAOYSA-N 449.427 0.946 50 20 ICGD O=C(NNc1cnccn1)[C@@H]1CC[C@H](C(=O)NNc2cnccn2)N1Cc1ccccc1 810406029 UBIVALPLIWQVQO-CALCHBBNSA-N 433.476 0.886 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C 811701048 RHSRHXKJHNGNTP-NSHDSACASA-N 427.932 0.339 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729302 MUVAPAARHUEYAE-LLVKDONJSA-N 432.549 0.809 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1N 813363600 MUBPGCDXQYWUJY-UHFFFAOYSA-N 446.581 0.396 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@@H](B(O)O)C3)CC2=O)cc1 864233412 HGZGDTPEJZIVQF-LSDHHAIUSA-N 437.327 0.145 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)C(=O)NC1CC1 913470967 NJGSSVQYJNHKLT-UHFFFAOYSA-N 448.526 0.535 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)n2nnnc2C)c1 915684996 IUTXRNDCYVWHLQ-IBGZPJMESA-N 435.444 0.872 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1N1CCNC1=O 919691053 ZYKUAOWXYSHJEU-UHFFFAOYSA-N 430.490 0.893 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC 920240246 ORNVMTKNQVBBOD-CQSZACIVSA-N 428.511 0.852 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1116356255 SWLBLYGMJSGZFU-GFCCVEGCSA-N 442.523 0.069 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2F)cc1Br 1317925727 ULMZQPMACUZBLI-SECBINFHSA-N 445.270 0.970 50 20 ICGD CC(C)NC(=S)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1319414953 RACDWCDUHXASBL-GFCCVEGCSA-N 426.520 0.527 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccncc1F 1778382373 ZXBAJOMLYCASPR-DENIHFKCSA-N 441.268 0.342 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1779036847 GSJNQKKDUWTTCU-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779415621 GASKKOXBPRBSQD-LSTHTHJFSA-N 443.617 0.002 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781224420 KACLIUHVEIZAJT-RBUKOAKNSA-N 443.331 0.878 50 20 ICGD O=C(c1cn2cccnc2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332196 VONLCHGLQRLAMI-LRDDRELGSA-N 426.246 0.863 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1784364440 SMYBWKDWJGZRKQ-QTVXIADOSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1nc2ncccn2n1 1787938926 AKKUKTOMUCSXMA-FIQHERPVSA-N 441.261 0.408 50 20 ICGD COc1nc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789016423 WMZXAQVHMNRRJG-SZMVWBNQSA-N 447.536 0.365 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(C)n1 1789109161 WFWAVRJCZJOMMJ-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1791255551 UJDFRRBHVZDJRQ-XAJHFOFHSA-N 425.913 0.643 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(F)CCCC=C3F)[C@H]2C1 1792325461 XNLSLCLMHVOESM-ABXWHYIOSA-N 448.275 0.705 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1n[nH]c3cc(Cl)ccc13)C2)[C@@H](O)CCl 1792978905 QTDPATATMQGXEE-YYNKCLGXSA-N 441.315 0.948 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794069647 OGWYCBLUUPACQD-DZJQYVJYSA-N 435.830 0.832 50 20 ICGD COc1ncccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794366060 SRKKWNSGYBPCFX-ACDBMABISA-N 437.305 0.655 50 20 ICGD Cc1cccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740989 VKURVSFJKGIENL-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189892 BIVZANIYPDZVMU-WPVAHCMFSA-N 440.305 0.374 50 20 ICGD Cc1nc2sccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191578 ZXIIEHKDZAZFJK-BJWYYQGGSA-N 438.318 0.950 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)n1ccccc1=O 1797932182 OSFRGHOTGQJPQI-VWPFQQQWSA-N 426.311 0.784 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)no1 1797956062 YEJPVLOANPJHAC-HBCWATKFSA-N 438.557 0.753 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1798524350 CFICCNRSXKSGOL-NKGKWGDASA-N 449.407 0.661 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1799074105 ADFXGJXNDCEVPT-PTEHBNRSSA-N 447.344 0.285 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc2c[nH]nc12 1799917955 IFZJGWOWGCGSMO-RMFSNUHRSA-N 448.288 0.068 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800163558 MZGUWTMIKQYKRP-RCSLCFTFSA-N 444.305 0.786 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cncn2)c1)c1cccc(B(O)O)c1 1800724160 CWAVGQJYEOILQD-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)CC1 1801014785 GIATVAMNIQQZAH-CLLJXQQHSA-N 442.365 0.051 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(F)cn1 1805978594 CLMQKDFUGISQIK-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806075335 DYFVFHXZDOBNAX-MAUKXSAKSA-N 431.537 0.937 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374680 JBQAJEWQUGDQJE-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810967534 KHJFTLLKTRQIPR-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812869464 XEXPUOKSTOZPDM-YDMUCJKGSA-N 425.327 0.594 50 20 ICGD O=C(CCc1ncc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361880 SZFXTOJATNOHJT-CQSZACIVSA-N 439.306 0.405 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822605075 LVJOXHDEQPPHCB-SVDPJWKOSA-N 431.356 0.809 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1823806581 SYJQTZKSDMWLHE-QFIPXVFZSA-N 441.381 0.942 50 20 ICGD CN1CCC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826088106 AQMVFMSOXJLWRC-UONOGXRCSA-N 436.582 0.770 50 20 ICGD CC(C)N(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1827254896 BELWBXFLPWJVEF-LBPRGKRZSA-N 445.549 0.708 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C=CCN2)CC1 1827556635 PJKISRLOJSPNBZ-OALUTQOASA-N 426.521 0.446 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829830876 IVIAWGQEBFBTKB-JCKWVBRZSA-N 445.310 0.943 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)c1 1830538813 QYPMLFGYKJGCJT-QAPCUYQASA-N 443.342 0.679 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725784 RTVLATRPXLEFSV-HNAYVOBHSA-N 428.917 0.308 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731879 RGZRCIFTKXLMJU-KBXCAEBGSA-N 427.910 0.899 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1831643954 MDZUMDXBLOTLAH-DJJJIMSYSA-N 440.884 0.652 50 20 ICGD CN1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1832427714 PCVOFGZNVVDEFJ-IBGZPJMESA-N 428.537 0.480 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491517 CVSPNJBGVGKVAR-JTDSTZFVSA-N 428.844 0.817 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832772520 OVOLSZRUQGJXLF-UZLBHIALSA-N 441.912 0.343 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312994 PCMXUKORZZKKOQ-IBGZPJMESA-N 439.988 0.751 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497547 NNJYTBZXWPWVRT-KZULUSFZSA-N 426.857 0.262 50 20 ICGD O=C(c1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834588377 NJFGWOJTDICHDY-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834726623 VPCXQWWFYIJWKK-PKOBYXMFSA-N 437.972 0.907 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)Br)CC2)CC1 1835058326 MXJJQFYNIKMQMT-SWLSCSKDSA-N 446.390 0.788 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836395343 GAXYXOHRVRSGRX-IBGZPJMESA-N 435.761 0.569 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1)C(=O)O 1837886603 OIGCJBSVOSKCJP-HZPDHXFCSA-N 433.933 0.302 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840034190 CRVFOLQRYVMSPJ-ZBEGNZNMSA-N 449.733 0.927 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1840151100 WLLZYSIOMNILDN-QFBILLFUSA-N 428.917 0.210 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)C1 1840186357 GJNCXKCEIIMFKY-VEVIJQCQSA-N 437.320 0.836 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846216379 IDKOJRDQUVQENM-RDBSUJKOSA-N 431.917 0.160 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847046084 PLQLRMUWNKBFRC-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccccc1)c(=O)n2Cc1ccccc1 14824979 DHNHISFXIHJOAZ-UHFFFAOYSA-N 446.467 0.889 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 14870837 ZMDUKYHKDJVCSU-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)NNC(=O)c1cccs1 15486959 AXMQNJJXTBQUKY-UHFFFAOYSA-N 444.485 0.794 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc2)cc1 15737397 JGRZUCFSUNPXPI-QGZVFWFLSA-N 446.485 0.926 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1 728977348 GXMZJDYSRUVQFE-INIZCTEOSA-N 430.490 0.760 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 740853276 MXIJQUQSTHSBFQ-UHFFFAOYSA-N 448.929 0.331 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 744724008 IJXPXJFSEQULSD-KRWDZBQOSA-N 436.424 0.873 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)N(C)C)CC2)c1 746008224 ISWNQRVOJYMFNC-UHFFFAOYSA-N 439.538 0.219 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746640589 GVWIBBAECFTSTK-ZDUSSCGKSA-N 431.474 0.400 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)nc21 755316949 MTBYURDSLVUCSG-NSHDSACASA-N 434.457 0.028 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1cnn(CCN2CCOCC2)c1 756826512 IBPCTFPSOJVWSR-UHFFFAOYSA-N 443.512 0.075 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 763718352 KCXISTKMJXAJLC-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD C[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2O1 763719111 VBFBWMYWGFGNGG-ZDUSSCGKSA-N 446.485 0.512 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 763998036 DKMAEFFJJHLNCO-UHFFFAOYSA-N 439.881 0.618 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(Br)cc1F 764001913 GRXHQHRADMRJQX-LURJTMIESA-N 440.222 0.248 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764116602 LNTALKZWACKLMO-AWEZNQCLSA-N 442.394 0.893 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 764131179 FYWZOXYQKVXSRN-UHFFFAOYSA-N 441.488 0.914 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 764167720 LWTKRGQZSDSDPT-INIZCTEOSA-N 443.847 0.959 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 764228605 YXUWBTTXUBSBDR-CQSZACIVSA-N 447.517 0.347 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 764380193 RFNZCXASPBVXOA-UHFFFAOYSA-N 442.400 0.352 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 764425739 RWWFZBZBZSLJMQ-SECBINFHSA-N 430.345 0.119 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc2c(c1)CCC2 765119640 ZDFFWCMYTRZTCI-UHFFFAOYSA-N 442.541 0.943 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 766261240 QDIQXABFRXYMKU-MRXNPFEDSA-N 441.492 0.733 50 20 ICGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 768248365 WQQQVWSQPKYTBE-NSHDSACASA-N 448.339 0.768 50 20 ICGD COc1cccc(OC)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 768290569 KDQRSIACYZHFKD-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2)NC(=O)NC1=O 769017980 VWBRPKWWSPUNHK-FQEVSTJZSA-N 443.485 0.939 50 20 ICGD CCCCCCn1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c(O)nc1=O 769653090 LDMIXGYXEJMXDG-UHFFFAOYSA-N 440.478 0.623 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)c3ccc(Br)s3)nc21 771020515 JYOMDEIQXIPWHL-UHFFFAOYSA-N 426.256 0.766 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 771933883 KQRTYSHLIIWYGS-JTQLQIEISA-N 435.886 0.367 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)nn1 773500674 VNECGCNLRQGZMM-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C(=O)N(C)C 777940336 JWTCOLZZBJFRMR-UHFFFAOYSA-N 430.483 0.231 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc([N+](=O)[O-])cc1Br 779148398 RYEYSHHFTCSIDW-HBJVGIJOSA-N 439.222 0.963 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nc1 782146113 XYECOGDQPHIGCE-JJIBRWJFSA-N 446.489 0.985 50 20 ICGD CC[C@@H](NCC(=O)NNC(=O)Cc1nc(C)cs1)c1cccc(S(N)(=O)=O)c1 782987922 PHKOMTMNSDATSR-CQSZACIVSA-N 425.536 0.530 50 20 ICGD O=C(NNc1cccc(F)c1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 783037328 NWZZMOFDYLNCIH-SFHVURJKSA-N 428.420 0.922 50 20 ICGD CC(C)Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)n(C)n1 783265768 XJJPYBGOZNDQBS-UHFFFAOYSA-N 437.526 0.782 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)nc1 783265908 ZVPPDIXFUQUBRU-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 783650107 LPKNGKWBDWYFRU-KRWDZBQOSA-N 448.453 0.543 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2nccn2)nc1 784214608 AFUXBJUJOCBDFB-UHFFFAOYSA-N 442.461 0.185 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)CC1 784839230 HDFSAUFNSPIXNR-UHFFFAOYSA-N 431.518 0.924 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNc1ccc(C(N)=O)cc1 786273073 OGZFHDODAVTXNG-UHFFFAOYSA-N 434.836 0.864 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cn1 789811887 GOHABVVFSFEHEE-WMZOPIPTSA-N 428.445 0.765 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(-n2cccn2)c1 792350827 OEABUSBEMHZDDP-GOSISDBHSA-N 437.412 0.807 50 20 ICGD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 795526727 CYUGBXMMOXTRSZ-GFCCVEGCSA-N 437.927 0.411 50 20 ICGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 798120906 BSZASKNIPYIDEF-MUUNZHRXSA-N 442.563 0.716 50 20 ICGD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 799261993 VMWIHBSEFQRXQM-UHFFFAOYSA-N 426.389 0.970 50 20 ICGD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 799262519 XMRDGGBSPLUNCH-UHFFFAOYSA-N 440.485 0.973 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)N=c2cc[nH]cc2)c1 802028113 KEGUROQAMXSUKT-UHFFFAOYSA-N 448.505 0.117 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cc1 806745119 FHVSIWNKYXTDGG-LBPRGKRZSA-N 432.437 0.493 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 806787126 BBVCVDVISOUZQT-LBPRGKRZSA-N 441.941 0.903 50 20 ICGD O=C(NNC(=O)c1nnc2ccccc2n1)c1cccc(S(=O)(=O)N2CCCC2)c1 809956669 CMNWIINNSVGLQL-UHFFFAOYSA-N 426.458 0.884 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810387511 YWVLZZARJBUZEF-UHFFFAOYSA-N 430.442 0.904 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)cc1 815565789 AJMVYBKZJZJWGX-LLVKDONJSA-N 433.421 0.159 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NC(C)C 913416770 RVJXGTDOWLRVRS-KRWDZBQOSA-N 449.485 0.983 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1csc(N2CCOCC2)n1 918400311 YZWYCTVURUNFLR-UHFFFAOYSA-N 431.427 0.650 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 919890050 ZENJQPCCAPFQGW-HZKNVOEGSA-N 437.522 0.737 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1OC 1116476974 XKXZMFQVQIMKJS-AUUYWEPGSA-N 441.506 0.774 50 20 ICGD CN(C)Cc1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)no1 1319988422 DNHPGRNTCGCBSK-UHFFFAOYSA-N 434.928 0.968 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Br)C3)CC1 1778850050 KXIBJZDOFMWEBG-QGPMSJSTSA-N 449.365 0.438 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779309367 GXPIKYFDDACBRD-CJBNDPTMSA-N 429.315 0.550 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779485963 GIEJHFPVLLPWOV-NFCNUSAFSA-N 442.451 0.798 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1780098687 QKDVYMKKKIGJKK-RNODOKPDSA-N 448.432 0.098 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780543040 FFDUJDFNIZGFSA-HSZRJFAPSA-N 438.289 0.522 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781651421 AFTKPZQUIXMAQF-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2)C1 1782759554 PVERPVPHWGHVFW-CBGDNZLLSA-N 447.561 0.708 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1783873811 UVBFWKNOVSEFNQ-YJYMSZOUSA-N 442.900 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1783933901 LTNHQJJKUQEQPO-GOSISDBHSA-N 429.424 0.429 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1783952390 ICGDGQKPDZFWRU-QXKUPLGCSA-N 447.960 0.869 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1783965831 VBLPBVYGPNIZMU-VGWMRTNUSA-N 440.338 0.859 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784095864 MXCVAJCSWPCJEE-WNHJNPCNSA-N 440.924 0.791 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4[nH]ccc34)[C@H]2C1 1787339239 NEWQEGMLZJRQDV-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1790271180 MKBLUVFYIJUTTQ-NYVOZVTQSA-N 447.300 0.454 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792984048 XNSSFALZDQVKIU-CXHZTBPHSA-N 440.880 0.041 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)C1 1793101312 ISSZVIXUFOZHQV-GVRJEKJASA-N 443.504 0.526 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncoc1C)C2 1796441673 ONNFBMWUZCYFSF-QHWVMAKGSA-N 428.449 0.320 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)[C@@H](O)CCl 1797658317 YNCZUCDQYVADSY-OXIQGZBJSA-N 444.879 0.422 50 20 ICGD C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(F)(F)F 1797754202 YNKZKPVEUNJMTO-GNXNZQSNSA-N 427.383 0.007 50 20 ICGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CO[Si](C)(C)C)c(C)n2n1 1797955872 MBMNLIFHELXMJK-CCWDJLKJSA-N 446.584 0.796 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798421930 WKYVHVXVVFXALJ-ACDBMABISA-N 449.316 0.648 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799273786 HXPCAGIMEYUFTN-CQUYNDQOSA-N 429.366 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2occc2c1O 1800018391 HQQLERVSTRLLOG-VTEUUUEMSA-N 444.488 0.715 50 20 ICGD C[C@@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1800090602 SCYMWGCWICUPOP-QMIVOQANSA-N 430.933 0.891 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803135731 GPTLYTQKXGYSFZ-QMTMVMCOSA-N 434.880 0.002 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]2c2cccnc2)CC1 1808314669 ZECVNUJUEIINBA-BHIYHBOVSA-N 439.919 0.786 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1 1813073690 KQCZWPPXZCFWEP-LAUBAEHRSA-N 431.537 0.766 50 20 ICGD O=C(Cc1ncccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337065 KZFZLNBAKOBSEV-CQSZACIVSA-N 437.290 0.081 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCO1)CC2)c1cccc(B(O)O)c1 1815347599 GBNMUAKDYNMCIL-ZBFHGGJFSA-N 429.307 0.618 50 20 ICGD N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1817296564 HQCLRLGMGRHTFB-ZWNOBZJWSA-N 430.282 0.932 50 20 ICGD Cc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794918 HBGOAUSEQVDUMK-JTQLQIEISA-N 441.473 0.978 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCO1)CC2 1819799985 IKQZHSJAMISXTI-HZMBPMFUSA-N 430.490 0.546 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOC2=O)CC1 1824335032 CQBPVFGKFBIJJQ-KRWDZBQOSA-N 437.541 0.431 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050189 IBBPUTPWYGWCAW-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829544897 CRJORCJJICHULK-OXJNMPFZSA-N 441.912 0.804 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)ccn2C)CC1 1829643259 NEYDTTUXYJZOJK-LJQANCHMSA-N 445.564 0.992 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830719856 MSCCWOGQVNNVBS-GHTZIAJQSA-N 435.908 0.547 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830728320 RQCCQEUBVGNUQU-MGPUTAFESA-N 440.928 0.444 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831477428 BKSZFFHVAWZDGX-SJCJKPOMSA-N 434.331 0.141 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831732693 RIRCORFZDLWOES-INIZCTEOSA-N 429.271 0.037 50 20 ICGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1833308675 ZYBZPKYAFFWBFE-MRXNPFEDSA-N 439.944 0.172 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1834087205 FSWZZYUIWGIKHW-GUYCJALGSA-N 427.299 0.638 50 20 ICGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834654100 WZKHMVAVVNBXFL-UHFFFAOYSA-N 434.404 0.970 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n1 1836073016 XRXAYRKINLZFQW-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD Cc1oncc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837510527 GNIWSLDLWLGRIX-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1838060372 KSQUNNROCOWAKP-KUHUBIRLSA-N 429.901 0.869 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200327 ISVOYYRURHXPSY-YOEHRIQHSA-N 446.273 0.146 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)[C@H](O)C1 1841348898 USDANKANOXZOHQ-SOUVJXGZSA-N 445.944 0.407 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CSc2ccncc2)C1 1841964810 ZAGJUXUKUVYNOL-UHFFFAOYSA-N 426.502 0.689 50 20 ICGD Nc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)sc2nccnc12 1842991742 DHHZSYKDYJYIAV-UHFFFAOYSA-N 437.290 0.084 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847571048 CVXDWBACVXPHIR-JLSDUUJJSA-N 445.325 0.343 50 20 ICGD CCc1[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1C(=O)OC 16594013 HKICJAZAJWJBRQ-UHFFFAOYSA-N 436.490 0.997 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 26900717 ASLJVKDMBSAULS-UHFFFAOYSA-N 430.373 0.799 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 726076841 GQXJAPKJKFZFRL-BFUOFWGJSA-N 427.571 0.997 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cc(F)cc(F)c2)n1 728729566 PTNOEYQYUYOONZ-UHFFFAOYSA-N 426.401 0.393 50 20 ICGD CCc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854139 NEHISAUOQZKMDN-UHFFFAOYSA-N 433.490 0.963 50 20 ICGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12 733044596 YZXDLNINNDHRPP-UHFFFAOYSA-N 445.501 0.925 50 20 ICGD CS(=O)(=O)Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 734806465 BEGKJIGOZSFUAH-INIZCTEOSA-N 426.472 0.381 50 20 ICGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745913522 OHSNIRPDMKELSA-UHFFFAOYSA-N 434.522 0.966 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccccc2OC)CC1 754133909 LHZDHVAQGMWTGS-UHFFFAOYSA-N 428.511 0.466 50 20 ICGD COC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c(OC)c1 757173965 JZQFRLSLNNCJER-UHFFFAOYSA-N 425.467 0.335 50 20 ICGD Cc1ccc(I)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758029753 NSKMDAUQBQVMAB-MRVPVSSYSA-N 425.248 0.298 50 20 ICGD CCCc1nc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)co1 759957796 XIQYJMJLZXXUBM-UHFFFAOYSA-N 449.533 0.703 50 20 ICGD O=C(NNC(=O)c1ccc(I)c(O)c1)N[C@H]1CCS(=O)(=O)C1 760854259 SAVGTZDVXLFKBU-QMMMGPOBSA-N 439.231 0.128 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(Cc2ccccc2)C1=O 761788317 TXXKIFWQRJWDTQ-GOSISDBHSA-N 434.460 0.798 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 762092016 KSWKXYXPGNVBJS-CQSZACIVSA-N 436.538 0.715 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1F 763064968 SOJJRWHYABPMTA-VIFPVBQESA-N 442.856 0.706 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1NS(C)(=O)=O 763552243 XYOORILPAXVAHH-UHFFFAOYSA-N 434.430 0.495 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)n1 763892234 CFSVKUAVDPDBCJ-UHFFFAOYSA-N 430.534 0.835 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1C(N)=O 763944671 ZOAJYLMXJBBZHT-VIFPVBQESA-N 431.474 0.775 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1ccccc1 764332328 QKKILVLWXKTLLK-KRWDZBQOSA-N 444.513 0.825 50 20 ICGD COc1cc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)[nH]c2c(OC)c1OC 764345017 NJJVUPVSWLZDDT-UHFFFAOYSA-N 427.417 0.780 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1N1CCOC1=O 764367802 MLFJMUCEERFFTN-UHFFFAOYSA-N 442.428 0.955 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 764558345 FFHBFFIDXVJARZ-UONOGXRCSA-N 428.507 0.982 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1C 765119089 PKPSXFAHEZNJFQ-UHFFFAOYSA-N 446.529 0.771 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 765373550 JZRWALARSLTPCG-KGENOOAVSA-N 425.467 0.605 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770955936 ROIYFAWRYFAWCE-UHFFFAOYSA-N 439.484 1.000 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1O 770998921 PYZYINDZKRVPQN-VIFPVBQESA-N 440.865 0.273 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F 771148286 KBDOAGAHACMCFW-UHFFFAOYSA-N 431.423 0.549 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCN(C)CC3)cc(C(C)C)nc21 773658917 QBOSAVSECMVHPR-UHFFFAOYSA-N 445.524 0.878 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 776539962 PBGJWILNFUWAGA-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 776942498 MMKRYKDQDMZLLY-HUUCEWRRSA-N 446.298 0.979 50 20 ICGD O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCN(S(=O)(=O)CBr)CC1 777777888 RMEOBDLNYKPBHZ-UHFFFAOYSA-N 432.275 0.846 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(Cc3nc(COC)no3)CC2)cc1C 781957004 JHVYJYAZSFKSJF-UHFFFAOYSA-N 436.538 0.727 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784523107 GAYISKKYKQVGCL-LSDHHAIUSA-N 437.518 0.983 50 20 ICGD CN(CCNC(=O)NNc1ccc(-n2cccn2)nn1)S(=O)(=O)c1ccc(F)cc1 798117884 ANYQUNRLRMRXLC-UHFFFAOYSA-N 434.457 0.748 50 20 ICGD Cc1cc(=O)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1C1CC1 806873279 VFFMTEFLPIBFHH-UHFFFAOYSA-N 446.533 0.580 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)cc1 810353380 FVNJHAVGGVRPQQ-UHFFFAOYSA-N 443.485 0.726 50 20 ICGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 811645261 GGNLLUGXJKEVSG-QGZVFWFLSA-N 435.550 0.462 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cc4ccccc4o3)c2)CCN1 812979894 FZDRIAGJCBNJSE-UHFFFAOYSA-N 435.440 0.764 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815752465 TYJVPILJLHTNSS-UHFFFAOYSA-N 449.489 0.604 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)nc21 900691353 JUMCRRBQXPPPHQ-UHFFFAOYSA-N 432.824 0.659 50 20 ICGD COc1cc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1O 916369944 SKRJSPHXGMSMHY-UHFFFAOYSA-N 436.490 0.860 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 919961195 WGUWWUFSXNEUST-GFCCVEGCSA-N 427.504 0.918 50 20 ICGD COC(=O)N1CCC(NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 920048454 AWWUTWDZTJQTDE-UHFFFAOYSA-N 426.499 0.463 50 20 ICGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 920884996 WOOYCFNIUGKHJQ-MRXNPFEDSA-N 439.538 0.849 50 20 ICGD O=C(Cc1csc(N2CCCC2=O)n1)NNC(=O)C1CCN(c2ncccn2)CC1 1318494012 JVXIXUQJPHVTAX-UHFFFAOYSA-N 429.506 0.666 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CCOCC1 1319229672 BRAVMWSCDVQBBS-CYBMUJFWSA-N 447.554 0.763 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778853493 JPEDQYNMAXIIQQ-BZNIZROVSA-N 429.319 0.323 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@](C)(Cl)CCl)C1)C(=O)O 1780713305 QERQOSXUMRHXLH-QIZIZJAASA-N 438.352 0.799 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1781998818 IAUIBHAFASZCQN-FRQCXROJSA-N 445.402 0.531 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782074303 UVPKDHOEHQBLIO-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCC(F)(F)C1 1783453775 IKVJVGYTOOFOST-FZCLSBEQSA-N 436.264 0.395 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)n1 1783534816 OZZLNEMLAQPUOR-GUYCJALGSA-N 429.315 0.756 50 20 ICGD Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)nc2ccccc21 1784093167 QVLXBKNBEFVRIR-PYTWLRIVSA-N 448.907 0.127 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784206680 ULQJSCFVJQAZNK-KOSHJBKYSA-N 436.317 0.689 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785956406 QYJQJBXQKCMDLZ-RNGGJZMBSA-N 439.476 0.204 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788530532 DKMJYFGLIFXCDW-FTYOSLGDSA-N 449.195 0.762 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc2ccc(F)cn2n1 1790526789 DEFMPSCMQAENAZ-PYJNHQTQSA-N 425.848 0.061 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C[C@@H]21 1791254348 PXZSZKPLOPVGNW-NXOAAHMSSA-N 438.912 0.887 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791648320 ATKTURYNSICNTF-AJNGGQMLSA-N 428.331 0.821 50 20 ICGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1792859848 PGYGFEICQKWSPW-AICCOOGYSA-N 433.933 0.479 50 20 ICGD CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983406 KUHXSPMUOITPQM-QRJUGERDSA-N 447.960 0.869 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795768108 BEDLBTSCESYBCT-JJAZEVLHSA-N 427.343 0.973 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796387232 QNTFKSPNMQVHGB-MMWGEVLESA-N 445.339 0.873 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)c1n[nH]c2c1CS(=O)(=O)C2 1800159054 MICMUDAQAXRAFX-ZZIUEJKTSA-N 449.302 0.780 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(-c3ccncn3)noc1C)C2 1800979039 OWKRPHMXEFENQY-UMPJEAMMSA-N 449.895 0.897 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016655 PLUBVLJMOISIKW-JJLQDPRZSA-N 445.299 0.843 50 20 ICGD CCc1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1807374061 GEEXUEQICDPADM-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)on1 1815712976 TWYLKXUOLJKNAT-GOSISDBHSA-N 437.265 0.935 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473289 NLGGDDPCOXFUFP-MRXNPFEDSA-N 428.254 0.349 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)c1cccc(B(O)O)c1 1817476702 OGBHDLCRBCSMTM-GOSISDBHSA-N 435.249 0.343 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](F)Cl)CC3)CC1 1818895089 LEOCFWKQZKPSJE-XHDPSFHLSA-N 431.921 0.754 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1830370789 YHHBQDVIBYKHNG-KRWDZBQOSA-N 431.946 0.618 50 20 ICGD Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724739 BDTTVPOOLOINLN-XLIONFOSSA-N 425.913 0.379 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830725210 HEYMKIRLEYYMPV-UTKZUKDTSA-N 440.924 0.602 50 20 ICGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727866 ISWFNRVEKCZQFX-FOIQADDNSA-N 440.880 0.128 50 20 ICGD C[C@@](O)(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1833308593 WGXXCYSMYRDBAT-XJKSGUPXSA-N 429.867 0.471 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312582 YOXKCJGUDHOWCV-INIZCTEOSA-N 446.976 0.682 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834823779 KHHYEFQAMXKYEI-AAEUAGOBSA-N 446.111 0.918 50 20 ICGD C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738259 QBXVHTLOZFJNEB-CYBMUJFWSA-N 434.566 0.189 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836957295 PUVFWIAAUDJYMO-BEFAXECRSA-N 440.859 0.143 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1837917755 KBZNJSNSZSYVJJ-HNNXBMFYSA-N 440.863 0.564 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838268277 AEOGLQOIIMOIGC-KXBFYZLASA-N 429.876 0.853 50 20 ICGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)o1 1839197779 IFYMCNPDLZRWIK-WBMJQRKESA-N 449.277 0.501 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201184 YUQUZNMEZBNSLX-CZUORRHYSA-N 431.262 0.546 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839962723 PLXRQZQLEAVKFO-NHYWBVRUSA-N 433.328 0.782 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1840153228 HYNNADJJSFTPHJ-YWZLYKJASA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840153753 ZCAGZGQDDPOXMN-SGTLLEGYSA-N 433.839 0.684 50 20 ICGD O=C(c1cnn2cccnc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188318 CNEYUYDYNZZPKV-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443482 FIKNOXMDBIARPZ-SOFGYWHQSA-N 425.206 0.398 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2scnc2C(F)(F)F)C1 1842567741 NIXTYBUKGWGJNJ-UHFFFAOYSA-N 439.224 0.973 50 20 ICGD O=C(CCc1cnc2[nH]ccc2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015173 PQPNJMMMSVBACN-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844287559 CUMFQJMUTFWJAU-KGLIPLIRSA-N 433.299 0.858 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(O)no2)C1)NC(=O)NCc1ccccc1 1844516897 MSBMGDWFWYWDSD-UHFFFAOYSA-N 442.476 0.543 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038195 CKVAVFZZHNKPGO-INIZCTEOSA-N 444.536 0.048 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(C)c1C(=O)O 1845573111 ZBRPZMAGFTZXIL-UHFFFAOYSA-N 436.273 0.812 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846423003 BREDQKULYYKCGL-AWEZNQCLSA-N 444.444 0.863 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1847044170 JCLAPRYHLMQMIV-OLZOCXBDSA-N 447.916 0.246 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 16226363 MAYWZZSUOWMDHF-UHFFFAOYSA-N 428.493 0.188 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 17189976 UAKBNCGOOBSKIY-UHFFFAOYSA-N 443.485 0.458 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 21875167 YKMISFIPJVXZGW-SFHVURJKSA-N 447.469 0.545 50 20 ICGD O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)CNC(=O)c1cccs1 725740089 RGUBFOKWMWSGAY-PGUXBMHVSA-N 425.536 0.351 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1 727270621 KGQSTPNKGVVGNM-UHFFFAOYSA-N 438.583 0.796 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 728312103 BMRQIJVAGRSPOV-ZDUSSCGKSA-N 439.465 0.667 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728890121 WYFSAGYCIHQOEV-UHFFFAOYSA-N 442.501 0.066 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnc2n1CCC2 730934456 IQIXUNJNQNWYMG-MRXNPFEDSA-N 426.525 0.828 50 20 ICGD CC(C)Oc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 735117532 VZBDNUINNWEYEO-UHFFFAOYSA-N 434.522 0.957 50 20 ICGD CC(C)(C)C(=O)Nc1nccnc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 742635515 SFZMKJJNZQYSKU-UHFFFAOYSA-N 426.481 0.929 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 744621704 ZEVZCABPTFBXMN-OAHLLOKOSA-N 436.534 0.942 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccco3)CC2)cc1 748265106 ZLOUKTMBRJPLQT-UHFFFAOYSA-N 434.518 0.675 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 749601096 MISPERRTPOFMFQ-AWEZNQCLSA-N 437.294 0.824 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)NNC(=O)[C@H]1COc2ccccc2O1 753904511 XLWREJTWZCSQSB-QGZVFWFLSA-N 425.397 0.716 50 20 ICGD O=C(NNC(=O)c1cccc(I)c1O)N[C@H]1CCS(=O)(=O)C1 755142331 LSPVGJDLYNADPB-ZETCQYMHSA-N 439.231 0.128 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc2c1OCC2)[C@H]1CCS(=O)(=O)C1 758146962 RSGBLEYMQZPWSG-VIFPVBQESA-N 439.309 0.128 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440539 ZSRQLLLOTJMSGU-CHWSQXEVSA-N 439.513 0.795 50 20 ICGD Cc1ccc(I)cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 763302347 MOHBFZZZXYIYFP-JTQLQIEISA-N 437.259 0.731 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763442466 SGHBNVJBBLOKTB-UHFFFAOYSA-N 431.380 0.970 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763569754 BGOLEANGMARABR-HNNXBMFYSA-N 435.339 0.677 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763571507 JREQGPIHHRZMMI-QGZVFWFLSA-N 447.469 0.466 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)ccc1S(=O)(=O)N(C)C 763586580 OTWKOZNDHLMWBG-UHFFFAOYSA-N 438.462 0.555 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C)cc3)cc21 763820433 HHVCEADPIRCJCR-UHFFFAOYSA-N 437.456 0.861 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)n1 763884307 FHGRJWFFGGJACW-INIZCTEOSA-N 428.493 0.679 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc2c1OCCC2=O 763950222 VCZPSMOYQPJLHS-UHFFFAOYSA-N 435.396 0.943 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ncccn3)CC2)cc1 764763290 SJCHFAMGYRGOFU-UHFFFAOYSA-N 448.505 0.242 50 20 ICGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765754057 HYAYLNGNQSAQGX-UHFFFAOYSA-N 435.912 0.144 50 20 ICGD CCOc1cc(NC2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)ncn1 767316009 BEIDKDCYRTXYTN-UHFFFAOYSA-N 431.453 0.515 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 768274765 ZYGMUGGOQTVCBW-LFSCOCTRSA-N 435.440 0.653 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)nc21 770973603 FKCHZYJPGFZQTH-NSHDSACASA-N 425.405 0.336 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772188340 LQEJAYGDEKIFSH-UHFFFAOYSA-N 438.893 0.718 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 778440527 IPDZDLGJVJRYRM-UHFFFAOYSA-N 430.458 0.552 50 20 ICGD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(CCCCl)cc1 779423813 WSYFHPMVOIMACV-INIZCTEOSA-N 432.926 0.927 50 20 ICGD Cc1cnccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 779699755 WMDCGCFUYYKOSP-UHFFFAOYSA-N 433.490 0.555 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1N1CCSCC1 784002511 RHLKLETYBPQYDL-UHFFFAOYSA-N 445.501 0.657 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 784834013 QPJMNJSTYCALCJ-BETUJISGSA-N 445.436 0.509 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 785479959 CTQGRWXIQNIGEV-UHFFFAOYSA-N 432.418 0.081 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 792014812 NINQSHQAJCBJLA-KDOFPFPSSA-N 441.362 0.606 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(C(N)=O)cc2)c1 792572091 PASIWICQUXJZCH-UHFFFAOYSA-N 432.502 0.820 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 792894025 OZAQVRNDLNKKMU-HXUWFJFHSA-N 441.444 0.718 50 20 ICGD CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 793031874 VTBQYLQKPZNXRG-UHFFFAOYSA-N 448.501 0.760 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC 794831744 ISBSYPGBSWPDRJ-INIZCTEOSA-N 425.445 0.885 50 20 ICGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 795294115 QSYBCCQXOIDFRO-MRXNPFEDSA-N 440.499 0.611 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@](C)(O)CO)cc1 801974892 INNBCRVJPIVPDJ-NMQRCDEWSA-N 427.461 0.201 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNc3ccc(Cl)nn3)c3ccccc32)N1 806968101 XGEDSBJHJIZSLZ-RYUDHWBXSA-N 430.852 0.609 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1 806979455 VRFUVAIMGDCSEG-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)nc21 807608909 GANOORZDCSSALC-NSHDSACASA-N 432.466 0.158 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 808010883 LGARCVMGDYKMIC-LLVKDONJSA-N 430.483 0.644 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 916562705 TVLDZLBGKLITHM-UHFFFAOYSA-N 446.485 0.570 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCc3c(cccc3NS(C)(=O)=O)C2)n1 918739806 AVJVTVJHOHLAKT-UHFFFAOYSA-N 437.547 0.571 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778432357 YYFDUZDGQGSART-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1779028147 FPUUVBYVACKYKB-GOSISDBHSA-N 434.840 0.084 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1783881465 MQGFDOQPKSIBBF-OXQOHEQNSA-N 439.944 0.416 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1783935548 VSHJWDUBHMZGJF-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21)[C@H](O)CCl 1784092182 JQMUXHPYXXVTJO-LTTZEQNMSA-N 429.832 0.927 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784644705 CSKJEAQPMBCHBU-ULQDDVLXSA-N 427.618 0.980 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](Cl)COC)C[C@@H]32)n1 1787637937 NYNYKBTYHQOFCO-MPTYRVRUSA-N 428.917 0.377 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1790562030 IHVOLMHRVJHEKB-QEJZJMRPSA-N 441.326 0.880 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791056431 YPBGCDAPGXVAQC-RHYQMDGZSA-N 429.319 0.083 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1791057447 DDEDBXWLTKNRNB-IICXDKKESA-N 425.327 0.845 50 20 ICGD O=C(CCCn1cccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791663074 JJWCLEPFEFVQLR-JBACZVJFSA-N 439.321 0.242 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792980964 BTDUOCBAUKFCQR-XGUBFFRZSA-N 445.944 0.433 50 20 ICGD Cc1cc(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739743 IELMUBUJPVUBHI-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795966743 UBWITGQKLAXKBM-USZNOCQGSA-N 426.248 0.523 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnsc1C1CC1)c1ccc(B(O)O)cc1 1797115829 WGSXYJTUHDPOAQ-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797924270 MCFRBSOYPBRZSK-IPVBOJNNSA-N 432.359 0.912 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c1OCCC2 1800943062 KDSHOLLNRJYGBX-BTTYYORXSA-N 439.476 0.230 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NN1)c1ccc(B(O)O)cc1 1801217237 ZHOOOWJMQNNHKN-XAPVIXHLSA-N 446.316 0.384 50 20 ICGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1801961652 OKEPXXGVJIMDIR-FQUUOJAGSA-N 436.372 0.834 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCSCC1 1802169548 GFSRMNULCKCLKU-XOIINTDNSA-N 433.534 0.032 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2 1804433951 HTSSGNXSMHDYPF-XJBAAKRRSA-N 434.896 0.928 50 20 ICGD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807093026 HWCPYYQHWVWITG-RXVVDRJESA-N 438.337 0.469 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1ccc(B(O)O)cc1 1820712672 LOLLFINLLYEWKX-LLVKDONJSA-N 428.235 0.056 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1)C(=O)O 1823414830 ZUZXKEFTFJLQEL-QIENPNARSA-N 441.448 0.745 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1825647110 NLNMEQASDALXII-GHMZBOCLSA-N 449.371 0.125 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C\C(=O)NC1CC1)CC2 1826087622 GLBVSSHPJMODHH-MEJMFZKBSA-N 448.549 0.263 50 20 ICGD O=C(Cc1ncccn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055864 HVPMSAPGTUTUBB-HXUWFJFHSA-N 436.321 0.632 50 20 ICGD O=C(c1cccc2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735416 HOGLMSCXUVVWRD-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486916 CVKIWQXNXNDJRF-ZWKOTPCHSA-N 433.977 0.147 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1831830886 JQVCTSCNWPXVTR-QKLQHJQFSA-N 431.961 0.511 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609141 IAEGTPKCIUQBFU-SJCJKPOMSA-N 429.267 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301364 LDGPVHZFVFVDMM-SQGPQFPESA-N 426.897 0.430 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835628442 RFOOISPOFKMHMB-IAQYHMDHSA-N 435.250 0.326 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835798174 OLTLLGNMULNBLX-ZUZCIYMTSA-N 433.328 0.579 50 20 ICGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835930693 URMIVBJXORNDHH-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD O=C(Cn1cncn1)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1837965340 MXCUUCPCQYUDBX-HNNXBMFYSA-N 432.294 0.967 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838898475 SLSQOYAQHNYPNY-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)c1 1839203222 DHEHFTBUCOYZKO-KEYYUXOJSA-N 447.305 0.899 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839963266 GHFKKMOHBQYEDA-SJCJKPOMSA-N 443.298 0.426 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840872595 ZARSUHRZYXDDCQ-VKJFTORMSA-N 433.343 0.900 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)CCBr)C2)CC1 1842638122 QKBYVQLCWOHTRR-UHFFFAOYSA-N 436.372 0.646 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845231781 HLMNWVAYNMBODE-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2)=NO1 1847760784 LNQJNZPTUIHBQX-SLFFLAALSA-N 448.483 0.694 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847793941 SRQMGNSCLARBRG-VXKWHMMOSA-N 429.285 0.973 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)c1cccs1 15407263 ZYELDJVYQFVSFW-UHFFFAOYSA-N 426.495 0.655 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 116908556 NBZGTBMJULYWGL-UHFFFAOYSA-N 444.455 0.859 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 727116888 GOEPYABWVGFQJO-GJZGRUSLSA-N 425.507 0.705 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 728177528 AUEOGEXJFYSEGG-HOCLYGCPSA-N 447.554 0.719 50 20 ICGD O=C(CCCS(=O)(=O)N1CCCC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728211431 SQMJLTFPKYJZLX-UHFFFAOYSA-N 430.552 0.776 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3-n3cnnn3)cc2)CC1 728214503 QGMSEOXFLMCEQN-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)c1 728527954 UXYXASVCVJVNBJ-UHFFFAOYSA-N 435.300 0.134 50 20 ICGD CCN(C)C(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 729124384 ARPVJQATKQGLEU-GOSISDBHSA-N 441.440 0.923 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 729741678 GGOBNWNGKCJARG-JTQLQIEISA-N 428.357 0.932 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCc2ccccc2O)c(F)c1 729962668 DOKUNNYTCNBNFS-UHFFFAOYSA-N 431.467 0.845 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCCN2CCOCC2)c1 732049263 IXDUYFSLRHFUCF-UHFFFAOYSA-N 440.566 0.981 50 20 ICGD O=C(O)COc1cccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 733201589 VWOZXCIIAVIYIY-UHFFFAOYSA-N 447.469 0.935 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)CC1 734807206 KWTVXKAKELPISW-UHFFFAOYSA-N 431.471 0.605 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 738497363 SLFAMTFMRMKGJT-MRXNPFEDSA-N 428.511 0.022 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1 742452386 OXBWJOOUIYNTTB-UHFFFAOYSA-N 427.490 0.875 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cn(Cc2ccccn2)nn1 742469268 UIGXZFPLNOTXBE-UHFFFAOYSA-N 434.504 0.695 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc(C#N)n1C 742805439 IBKZHWSZSWAPNQ-CXUHLZMHSA-N 428.474 0.774 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NNC(=O)CCOc2ccccc2)cc1 743573665 TUFQHWPTJWPMAR-UHFFFAOYSA-N 435.462 0.926 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)nc2-c2cccnc2)cc1 743845332 IXYOTHNTXBQRTO-UHFFFAOYSA-N 442.501 0.872 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746385748 LKFFMLXALUSZAF-IAGOWNOFSA-N 448.520 0.181 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 748174529 XUKBCMVZQUCBCI-QMMMGPOBSA-N 435.359 0.621 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751206467 HJQDWAVHBYPMFC-UHFFFAOYSA-N 428.854 0.374 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1OC 752245366 SWCDHWHKWIVRQH-UHFFFAOYSA-N 437.449 0.875 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c(C)c([N+](=O)[O-])c1 753841437 RZBVVWFGMHURDA-UHFFFAOYSA-N 444.400 0.993 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755049547 OBYJGXOQMLJRJK-CHWSQXEVSA-N 439.494 0.101 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCO[C@@H]2CCOC2)cc1 757252013 KAIRANJPMMMONL-OAHLLOKOSA-N 428.511 0.142 50 20 ICGD NC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 757738147 JVOKGZBPAGYHHJ-UHFFFAOYSA-N 446.489 0.822 50 20 ICGD CC[C@H](CN1CCCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 758849084 SLJCWTOHEDRYBL-MRXNPFEDSA-N 439.586 0.518 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)nc2)c1 763509371 UBAXDACHFFSUFT-UHFFFAOYSA-N 437.453 0.651 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1OCC(N)=O 763622999 BLHUVNWIOJDOMY-UHFFFAOYSA-N 430.417 0.033 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)C2=S=C3CCCC3=C2)CC1 763783396 NKVMOBRXSXNOKB-UHFFFAOYSA-N 430.534 0.828 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2C1 764003020 WSRHWOFCYFLNLO-UKRRQHHQSA-N 436.534 0.567 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 764012175 MGIISPGJHCXWCQ-UHFFFAOYSA-N 430.804 0.974 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764298557 WJKYTMJENLAHJD-UHFFFAOYSA-N 449.367 0.420 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764554012 UZLUERJBVLYSPH-OLZOCXBDSA-N 434.449 0.979 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 765410044 VTBIQOWDPGUPTR-UHFFFAOYSA-N 449.436 0.077 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)n(-c2ncccn2)n1 768236823 DVECLICCFYBKHB-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 768387678 UOVKBDJQVGJVOX-HXUWFJFHSA-N 449.515 0.945 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3CCN(c4ccncc4)CC3)nc21 770366983 HMJSWAGPNQPRIO-UHFFFAOYSA-N 426.485 0.302 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 771957450 IKALUBHZIKTPKD-QKVFXAPYSA-N 428.445 0.617 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)c(Br)s1 772062588 BEGSZBCLCAQDQS-YFKPBYRVSA-N 428.286 0.261 50 20 ICGD Cn1cc(-c2nc([C@@H]3COCCN3CC(=O)NNC(=O)c3cccc(C#N)c3)no2)cn1 779842079 LKTFCJDEFLVYSX-INIZCTEOSA-N 436.432 0.176 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 780707898 BWRGYNKEPOOFFH-INIZCTEOSA-N 428.511 0.843 50 20 ICGD NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 781578299 JWALVSDJPNVUSX-UHFFFAOYSA-N 431.474 0.430 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1cc(Br)c[nH]1 784312869 ZMPFYVUNCQCXEZ-CHWSQXEVSA-N 425.283 0.979 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 785225143 FJJWCKVHJAWPPV-UHFFFAOYSA-N 447.521 0.845 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2nccnc2cc1F 792236799 CSWKIPOCYPFIDW-UHFFFAOYSA-N 436.447 0.988 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@]2(CCCOC2)O1 796502940 GOGKABBBRRXHBV-FZKQIMNGSA-N 425.511 0.604 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 800055118 GUPDHHSYTSQTDU-OCCSQVGLSA-N 436.494 0.240 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 802115799 GFKOVDMPGFITAZ-UHFFFAOYSA-N 432.824 0.761 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 806787357 GGRBSHSYLWFBLG-DYALKNRASA-N 446.570 0.791 50 20 ICGD COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2)cc1 806788600 VVIXCUWRKBPQHM-DYVFJYSZSA-N 448.501 0.251 50 20 ICGD Nc1nc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc(N2CCOCC2)n1 816840257 HRUUTNMKLZBEEJ-UHFFFAOYSA-N 428.331 0.974 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817051502 LVJXUHJAMUEHQJ-CYBMUJFWSA-N 438.597 0.441 50 20 ICGD CCOC(Cn1ncc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1N)OCC 817053923 LSPMBEGLTFLIPL-UHFFFAOYSA-N 440.526 0.872 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)nc2n(C)c1=O 913210536 BCHIMXRAJSHCDV-UHFFFAOYSA-N 425.489 1.000 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 914605650 QRPBMTVSQPHMKY-NSHDSACASA-N 435.499 0.098 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2Br)nn1 914719734 PCQTULINJKBMHA-SECBINFHSA-N 428.268 0.226 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccc2c1=O 917108916 UNKHEPRXGRCNSY-UHFFFAOYSA-N 430.442 0.600 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(C)(=O)=O 917294136 GMJZUSVINKQFEZ-INIZCTEOSA-N 448.453 0.543 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 918402812 SPEGJEHOZQCRKW-UHFFFAOYSA-N 439.425 0.706 50 20 ICGD O=C(COC(=O)c1cncc(OCC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 1256645888 ZDNZEQYIAJILTD-OAHLLOKOSA-N 437.355 0.870 50 20 ICGD O=C(NCc1ccnc(N2CCOCC2)c1)NNC(=O)C1CCN(c2ncccn2)CC1 1318268341 ZURLGRWCHBIROP-UHFFFAOYSA-N 440.508 0.455 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1n[nH]cc1Br 1346278837 VAUJVEOJQKRHJJ-UHFFFAOYSA-N 430.284 0.950 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1780054513 MQSFZDOFGTYGTM-YLJYHZDGSA-N 434.449 0.606 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1780096917 MLMGEQVUCWNJDS-RBZFPXEDSA-N 434.449 0.558 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1780097099 QBIFFBIEGGUQSZ-FQEVSTJZSA-N 434.449 0.525 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781232536 KDVTUPRPQMRRLA-IRXDYDNUSA-N 433.292 0.627 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)n1ccccc1=O 1781330878 AKMBLIIOBFUPRL-HACGYAERSA-N 430.274 0.930 50 20 ICGD COc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210821 PFAIAKZEKFZBEA-VGOFRKELSA-N 447.536 0.591 50 20 ICGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1783245896 IUUCLYCRXLHYSX-AKWBHNSASA-N 437.946 0.895 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1783883394 HNRYWUJYPRBHCL-DYESRHJHSA-N 437.924 0.890 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784667498 IFANHDTXFFWSGL-MNXVOIDGSA-N 427.299 0.949 50 20 ICGD CNc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1786825422 KGMKPUWUBXOWBY-YYWHXJBOSA-N 437.305 0.315 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2)[C@H](O)CCl 1792982680 MANWJRFPAOJDFC-NAODYHOCSA-N 433.892 0.086 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](O)CCl 1794116929 CRKUAUPLQULISY-LOUJCGABSA-N 433.892 0.911 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735810 FPPCYBNZCXXIHD-CEQLMSFQSA-N 433.273 0.064 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795845666 DZWIFSNCUDVHKF-JFILPPLUSA-N 442.310 0.630 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccn(C)n1 1796249948 IHQGZTDVJLNNGX-DZBUXLHASA-N 425.493 0.735 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCO1)C2 1796440478 XWDNZZHQHJEKDS-UNJQHOFTSA-N 431.493 0.279 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccn(C)c12 1797052895 WZRSTPOZPHCRBV-UPHUGPLXSA-N 441.532 0.755 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccn3cncc3c1)C2 1798440558 QBWSWFLJHGAOQJ-MUJYYYPQSA-N 433.472 0.898 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800231222 KPUDCINSVULITO-ZIQFBCGOSA-N 425.251 0.828 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800389772 DRDQTYQRYMHVQQ-PEBLQZBPSA-N 437.356 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2 1801011351 HZBOLAMMOWFVJA-VPTLXERWSA-N 440.504 0.206 50 20 ICGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1802229159 NXFHOIYBYHBJQO-CXHZTBPHSA-N 440.880 0.041 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)C1 1802233870 RWIRKIAWKFMWLT-KHMAMNHCSA-N 449.907 0.746 50 20 ICGD Cc1onc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1C 1803888836 FOGINVACPAGDOI-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1O 1804291231 HCKCMJDBZJHCNB-LSEKCYLXSA-N 446.504 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(N)s2)[C@H]1c1cccnc1 1807278122 UHYWKGXCVZRQEU-KBXCAEBGSA-N 445.549 0.813 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362776 WLGMNEWZDBKAKX-BSIFCXSSSA-N 439.321 0.895 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363260 CRASPLLFOCDHPM-SWIMNWDESA-N 437.280 0.973 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364787 GBWGIKZRGZQBOK-NZSAHSFTSA-N 445.712 0.335 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369531 MXUHIBDPQSQZNV-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1810547761 HYMGXIJCQLERQG-IERDGZPVSA-N 444.564 0.864 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819510786 QCQPHVHILGLGRN-NGFNCXNUSA-N 449.363 0.207 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413949 JEPPFUSYHOUBMU-JSGCOSHPSA-N 436.517 0.222 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnn1 1826089652 JZFCCHUEWVNJAM-RYUDHWBXSA-N 434.526 0.281 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826841129 UPTUZMQPRLBCBN-ZLGUVYLKSA-N 429.370 0.973 50 20 ICGD CO[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccc1 1830726113 UWKZBQJVFLALHP-SQGPQFPESA-N 426.897 0.430 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728246 QQDSQKUPDJUNQK-JXFKEZNVSA-N 440.880 0.341 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252154 RCCBMGWFADNILV-QMTHXVAHSA-N 448.797 0.815 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832357537 PKDSDAKMBSUKBW-CFLQYTFWSA-N 445.919 0.768 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805992 YYIHUMDBSNQPIO-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD CC(C)OCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833138387 DPNJTUNOTZTNGP-UHFFFAOYSA-N 425.574 0.356 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833861577 ZSCYIWZADDCIIP-KXBFYZLASA-N 428.917 0.906 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675772 XAMZABFMOOXAGL-GFCCVEGCSA-N 431.379 0.072 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)c1ccc(B(O)O)cc1 1834798608 QKLPOZCXEZMCNW-KRWDZBQOSA-N 425.697 0.086 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834823135 KJKBWWOLVUPQKZ-GOSISDBHSA-N 442.310 0.945 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837679589 PNKBPWDZTZIGOL-SPYBWZPUSA-N 433.933 0.001 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837807449 WSFJBORZBGNPST-CZUORRHYSA-N 433.278 0.787 50 20 ICGD CC(C)(C)NCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837855267 ISOHLHHMXHEEFX-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD Cc1[nH]ccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920402 UMZNOGJMJLIOIX-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839100090 HGOBOMHKNGDUMZ-WFXMLNOXSA-N 445.004 0.486 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)n1cncn1 1839155439 UBSJBXNAZZQQJT-COXVUDFISA-N 434.324 0.532 50 20 ICGD O=C(c1ccc(CO)o1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199962 BAULBBDPCHWIEL-BBRMVZONSA-N 435.246 0.532 50 20 ICGD O=C(C1CCC(O)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202456 GEAYQZLRRCFXGH-QKRUXVEJSA-N 437.306 0.684 50 20 ICGD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743477 SUIOGPJOALDPIY-IXNCKXOBSA-N 448.470 0.890 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839963141 BEYRDJJBAIHFMX-KBXCAEBGSA-N 443.294 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1840150527 NGWUNWWYOOQUOW-UZLBHIALSA-N 441.912 0.722 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1840155452 CFYPMYUZLSZTIB-UWJYYQICSA-N 438.908 0.888 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840199936 PSFCCEBSZMVWBG-SLEUVZQESA-N 443.335 0.247 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cn1 1840465646 KPDUFIDUBHGWQV-ZWKOTPCHSA-N 433.336 0.655 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)CNC(C)(C)C)C1)NC(=O)NCc1ccccc1 1842903639 BIIIBBGTBPONFO-UHFFFAOYSA-N 444.580 0.924 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011814 WNXSFZNZRZWLRZ-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COc1cccnc1CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263617 YJAVVAIJJDETLD-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(Cl)cc3nn[nH]c23)C1 1844750823 AEVSMVYMSWJRAR-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847653399 ITFOKOLBQVPOJL-DGDBIBOCSA-N 425.206 0.396 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848216757 JEDOIRJQYFUDNX-OAACRXHESA-N 439.310 0.978 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C 22759508 ZFAUIEHTFNUWSW-ZDUSSCGKSA-N 425.445 0.478 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)c1ccc(Br)s1 725871895 RYTUTSROSXINQY-UHFFFAOYSA-N 430.240 0.509 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1 725950712 GAXRFJVTKMRXEO-SJORKVTESA-N 429.404 0.406 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 726282174 KGMCGBWMOUAUSS-NRFANRHFSA-N 435.444 0.842 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc2)cc1 726612319 AXHPGMPPIIOKAS-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CNC(=O)c2ccc(C#N)cc2)c2ccccc2c1=O 726980080 PVAUYNGXLSTKDD-UHFFFAOYSA-N 432.440 0.869 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1 728202923 DGRFBRGEWHJXLK-OAHLLOKOSA-N 437.497 0.956 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)cc1 728704348 FXRIKPVILRNGPW-UHFFFAOYSA-N 432.458 0.614 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 729275542 PLADAJQDFSFWBV-GOEBONIOSA-N 446.529 0.777 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cn1 729692208 OJSYXKYAKYDXGL-UHFFFAOYSA-N 441.491 0.336 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 730203813 XTCJROCNAMPKFG-UHFFFAOYSA-N 445.544 0.508 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1 731873853 AERXPCMEBDJCIR-NHYWBVRUSA-N 430.373 0.780 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 733516150 JJTZMCWBLKUOIB-AWEZNQCLSA-N 432.437 0.970 50 20 ICGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 734240118 JVBZACVQJAGBPA-LLVKDONJSA-N 432.474 0.843 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(-n3cccn3)c2)CC1 735116780 FJOQRNWDMKDQLT-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C 742077371 ZMBFNEYEEOHDGH-NSHDSACASA-N 433.494 0.094 50 20 ICGD CCN1CCN(CCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 746332400 NHOAAILRVXSJJT-UHFFFAOYSA-N 425.555 0.178 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(=O)(=O)NC1CC1 746641746 SYXDGWOJWVZCJG-UHFFFAOYSA-N 443.485 0.787 50 20 ICGD Cc1nc(C(=O)NNC(=O)COc2ccc(F)cc2)nn1-c1n[nH]c(C(F)(F)F)n1 747348186 LUOWJZRKJABFOV-UHFFFAOYSA-N 428.306 0.692 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)cc1 747975658 OBZMAAFWKMIWSW-UHFFFAOYSA-N 442.476 0.030 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 755533923 DQZYFIXTVKQOSO-UHFFFAOYSA-N 436.450 0.688 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 756399720 IPGUOZFOIRUWKL-UHFFFAOYSA-N 428.401 0.946 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 756496167 VQTKCYMQPKIEFH-TZMCWYRMSA-N 445.519 0.227 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756661261 ZWIHXUYYSBESCJ-UHFFFAOYSA-N 425.449 0.550 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)N(C)C)c2)c2ccccc2c1=O 756802698 UWMTVWBEWJLJCL-UHFFFAOYSA-N 426.437 0.168 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N(C)C 763424881 DXJLTUIJUYFBND-UHFFFAOYSA-N 434.474 0.735 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNc3nnc(C)c(O)n3)ccc21 763527086 YWQAYNNDXWISML-UHFFFAOYSA-N 429.441 0.299 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C(C)C)on2)cc1 763737978 RJEWPFQDMXIAKA-UHFFFAOYSA-N 437.478 0.513 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763864989 MVRJGUYJJNYVGY-CYBMUJFWSA-N 445.451 0.879 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 763895378 CRTRFNNGKVMDBY-UHFFFAOYSA-N 446.533 0.402 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cccc(Br)c1 764058972 LPPGKSGASCBVOU-UHFFFAOYSA-N 437.254 0.713 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc21 764176940 HPMVXWCFMDKESE-UHFFFAOYSA-N 429.433 0.468 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(OC)c1 764284722 QSJFVVPIUXKIMN-SNVBAGLBSA-N 428.401 0.823 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccn(CCN(C)C)n3)n[nH]2)cc1 764387261 HPINJEZFXMEVPF-UHFFFAOYSA-N 438.492 0.797 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1ccc(-n2cnnn2)cc1 764387291 IUFMWECXQHQLMD-UHFFFAOYSA-N 435.379 0.591 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 766669276 IMIAVKCTWXORNL-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@@H]2CCCS2(=O)=O)c2ccccc2c1=O 767173761 CLIGNQRWFDFKFY-ZDUSSCGKSA-N 435.506 0.718 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3C(=O)NC4(CCCCC4)C3=O)nc21 770338855 AIFIOIFFWLUOCD-UHFFFAOYSA-N 431.457 0.340 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 772364606 HYTMIACMICTSQP-DYBLOJMWSA-N 442.831 0.735 50 20 ICGD Cc1csc2ncc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c(=O)n12 776336077 FKABOAQJOTZHEF-UHFFFAOYSA-N 441.878 0.440 50 20 ICGD COC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 777257275 XCKYWMAWPHIIJW-GFCCVEGCSA-N 430.465 0.744 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 778443307 PAVWDPRARYJQDC-UHFFFAOYSA-N 447.539 0.038 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2-c2cnn(C)c2)cc1 780171531 OKYDBOPGJUDGRZ-UHFFFAOYSA-N 431.478 0.200 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 781832890 BXKIYAUDHYQYKG-GOSISDBHSA-N 446.529 0.801 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCS(=O)(=O)C1 783427151 MFJJPLGPHPEHTG-NRFANRHFSA-N 449.577 0.355 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3ccc[nH]3)CC2)cc1 783676191 PPGPMENEHGWRQF-RMKNXTFCSA-N 431.518 0.490 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 784002154 KLPWJIFHTYIEFG-UHFFFAOYSA-N 431.474 0.349 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1nnc(O)c2ccccc12 784293358 WGLVHSZYDYISAE-HZPDHXFCSA-N 425.445 0.538 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2C)n1 787556380 WCECAPMYUVWLDS-UHFFFAOYSA-N 438.466 0.925 50 20 ICGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 788290617 HADBSVBBWOKNTO-FZKQIMNGSA-N 425.397 0.856 50 20 ICGD COc1cc(OC)c2c(c1)C(=O)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)S2(=O)=O 790031349 IMTDWNKIFDTULE-UHFFFAOYSA-N 444.425 0.181 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(F)c1 797368965 KFQNQFOOLQRZMK-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1F 806972512 BYPVLTBPTOXHGF-UHFFFAOYSA-N 447.448 0.957 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cccnc3)n[nH]2)cc1 810584249 PKAKYKARGAMQDR-UHFFFAOYSA-N 428.474 0.774 50 20 ICGD COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)c1cnn(C)c1 811684529 NHBIHPYBMCOCCH-UHFFFAOYSA-N 431.268 0.521 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(F)cc1OCC(F)F 815693287 RLGRFWPCWFXYCB-SECBINFHSA-N 426.355 0.410 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1OC 903888049 OAGUQJVGAHYDDA-UHFFFAOYSA-N 437.430 0.781 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 915776227 GHYFCIAFBZQSTG-UHFFFAOYSA-N 445.501 0.977 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2Cc3ccccc3O2)cc1 916516181 MYODBFKJDNXPNU-MRXNPFEDSA-N 432.502 0.950 50 20 ICGD O=C(NCCS(=O)(=O)Cc1ccccc1)NNC(=O)c1nnc(O)c2ccccc12 916636248 XREVIAMKJFHHSD-UHFFFAOYSA-N 429.458 0.894 50 20 ICGD Cn1cc(/C=C\C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 917108307 GCWADDFAYYROQM-UITAMQMPSA-N 447.517 0.234 50 20 ICGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 917919499 PUSHMQKIJDVXEV-GFCCVEGCSA-N 430.914 0.787 50 20 ICGD COc1cccc(-n2ccnc2SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919883148 BCEANYSTWYXWMD-LBPRGKRZSA-N 439.519 0.491 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1318256615 MSQSCXDRPJQXJM-UHFFFAOYSA-N 437.909 0.921 50 20 ICGD O=C(COC(=O)c1ccccc1N1CCCC1=O)NNC(=O)[C@H]1COc2ccccc2O1 1321718921 YXIOOPIWYYXDCE-GOSISDBHSA-N 439.424 0.958 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@H]2CCC[C@@H]2O)CC1 1322669244 JGOJYJCGJCECPC-ROUUACIJSA-N 431.541 0.401 50 20 ICGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1324529006 PKAULPPVIHDRDT-AWEZNQCLSA-N 431.536 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777827858 VOQWFTBTCSMFDV-NRFANRHFSA-N 428.493 0.151 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1C 1780430942 TVOLONXXFYSUOD-SJKOYZFVSA-N 429.315 0.903 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781661273 SOIBWADLHCMWEH-LUXYFRNMSA-N 436.958 0.331 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1783868589 IIMQDMLEMPIVCH-SQGPQFPESA-N 426.897 0.812 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783884126 QNHNUMXASXHJGS-FADKWITMSA-N 440.880 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)ccc(O)c1F)CCO2 1783935531 VQLIJAXMNLJEPM-HXUWFJFHSA-N 440.447 0.487 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c1 1783943424 IPYJPJNDMJQSCG-MRXNPFEDSA-N 436.317 0.732 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1784622735 SEKBUEUZTMGZGQ-XQLPTFJDSA-N 426.901 0.948 50 20 ICGD C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC=CCC1 1784754434 ABHRHAZGLYYDSR-YADHBBJMSA-N 427.505 0.875 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)nc1 1786155857 AIZFCBYGJWNYGJ-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1790958262 NYVCFIDUZJBEII-FMSGJZPZSA-N 427.299 0.949 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791055142 KSUDMKXZXOUFEH-VOAKCMCISA-N 437.356 0.656 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791055265 RJDGMQRYJJUKAJ-UNQGMJICSA-N 432.359 0.912 50 20 ICGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293155 LZWQLIWKUHCFMN-VJANTYMQSA-N 437.585 0.212 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)nc1 1792979144 XMVGMOKDUAOUPC-JYYAWHABSA-N 425.913 0.737 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1conc1C 1794839014 FSJBTDSKRFWFMW-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]cc2c1 1796150078 NQVPLXXVYRZXLF-CWPLJXCYSA-N 428.493 0.139 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc2snnc2c1 1796188741 OBFUEAUQJZHZDF-MUJYYYPQSA-N 437.290 0.332 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)ncc1[N+](=O)[O-] 1796189265 RMCLBDLIUDBSLS-BJWYYQGGSA-N 438.249 0.544 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ccncc12 1797596232 SHSVXRNMKHZYPM-BTTYYORXSA-N 434.460 0.293 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)N1CCN(C)CC1 1797956142 DHKDUEGGUNVTNU-VXIBKDFQSA-N 426.634 0.063 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804460311 YIJFENFOFYGDJX-KVSKMBFKSA-N 447.923 0.835 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1805289445 UDNLAZKMVIKNJO-RXVVDRJESA-N 432.289 0.733 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807364824 UGGOLZPGQQHKKR-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807690729 HKEXFWWCGWVBTM-AESZEHBQSA-N 425.327 0.595 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1808200489 OAFBRFSGNFARDG-QSPRXWTASA-N 437.953 0.714 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CO)o1)CC2)c1ccc(B(O)O)cc1 1815344336 UMKBRAPQJCCMJK-CYBMUJFWSA-N 441.274 0.448 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348151 FSZAYAQOSCGBGW-OLZOCXBDSA-N 437.714 0.303 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CC2 1819800870 BWCQMQPRDKQPBP-NEPJUHHUSA-N 444.517 0.794 50 20 ICGD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)cn2[nH]cnc(=O)c12 1820116605 PODUNIRFOXSUTD-KBPBESRZSA-N 447.883 0.960 50 20 ICGD O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1 1826359638 MNLWVQFNRSLURH-KRWDZBQOSA-N 448.402 0.678 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923861 YKVATUGPBDSTOD-KSSFIOAISA-N 444.536 0.430 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1830143404 WDXRBFIGQUBYLG-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722598 FKPRWGNQIPQBCY-KUHUBIRLSA-N 439.852 0.604 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)on1 1832568460 JDXWBXJVBGQGKH-IBGZPJMESA-N 425.558 0.833 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835707248 XQLKZTBZGIQWOT-SNRMKQJTSA-N 445.347 0.774 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459636 UHHXWJPNCCPZKV-VVBPWWLESA-N 445.520 0.191 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838434282 QARSTEKZCMCYEF-MSOLQXFVSA-N 447.960 0.390 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1 1838519562 VFDDRDPUKYTZQA-HNAYVOBHSA-N 429.901 0.485 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197909 LWZSIRCFQRPWLD-LRDDRELGSA-N 447.261 0.246 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200092 DVBLBHDYDIJFNX-HQVSJVNPSA-N 449.321 0.605 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839605939 WNKSZXQDRWQYFM-DYESRHJHSA-N 449.891 0.610 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840031788 CAULQWBVOHWBAI-RDTXWAMCSA-N 445.358 0.508 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840034069 ZPINDSWSZKCYAN-GUYCJALGSA-N 429.315 0.500 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840152339 FWLFPBSMCOMHOC-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840340951 NTZITXDNDYBLPS-AMVWBUNWSA-N 441.326 0.910 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1cccc1)CCO2 1840462810 KJFFIEUXHUFHAV-JOCHJYFZSA-N 449.552 0.098 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)[C@H](O)C1 1841348896 USDANKANOXZOHQ-RRFJBIMHSA-N 445.944 0.407 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842779448 KGAIRPSOIQIBHZ-UHFFFAOYSA-N 439.446 0.382 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011681 FWYGUFRIHASASF-UHFFFAOYSA-N 438.289 0.258 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCc3cnn(C)c3)nc2)CC1 726851031 DVBLISSTVAHGEZ-UHFFFAOYSA-N 436.542 0.010 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CN(C)C)ccc2Cl)C[C@@H](C)O1 727762417 CPZWSSNYUVSKRF-VXGBXAGGSA-N 432.930 0.461 50 20 ICGD COc1ccc(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1OC 727843252 GDCHFELJELDZDP-UHFFFAOYSA-N 441.448 0.875 50 20 ICGD COc1ccc(N2C[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c(OC)c1 728179062 NZEJPRHZBSQQOG-ZIAGYGMSSA-N 425.507 0.549 50 20 ICGD O=C(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 728334766 QVDIQEBQYOSULN-WFASDCNBSA-N 445.394 0.791 50 20 ICGD Cn1cc(C(=O)NNC(=O)CC2(CC(=O)NNC(=O)c3cnn(C)c3)CCCCC2)cn1 735446276 JSBKHVCWDCQUCD-UHFFFAOYSA-N 444.496 0.107 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 740852058 IUJFLOVNBVKEJT-CQSZACIVSA-N 430.461 0.527 50 20 ICGD COc1cccc(CC(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)c1 744390910 OABLVIPZSOEVLM-UHFFFAOYSA-N 435.484 0.715 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745994060 GJBVFQXKUZFSJI-UHFFFAOYSA-N 435.458 0.722 50 20 ICGD Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cc(Br)cc1S(N)(=O)=O 747523952 VIOZPHAOTAJGAG-UHFFFAOYSA-N 433.206 0.911 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291976 LZBSYNRTZXPWGU-HNNXBMFYSA-N 430.465 0.514 50 20 ICGD Cc1ccc(C(=O)NNc2cc(Cl)nc(N)n2)cc1S(=O)(=O)N1CCOCC1 753453317 FHMMEGXQUQPAPE-UHFFFAOYSA-N 426.886 0.798 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cnc3c(c2)COCC3)cc1 757938297 DBJZHHUHBDCBJY-UHFFFAOYSA-N 433.490 0.936 50 20 ICGD CN(NC(=O)c1ccc(-n2cncn2)nc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782705 XHAABOPCUXIYQN-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 760443164 QUJZFQLWGPYTPT-AWEZNQCLSA-N 448.476 0.873 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 761798794 HQVMUKCDJFHGOO-HNNXBMFYSA-N 429.502 1.000 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 763571285 LTIHLPLYVXICJO-QGZVFWFLSA-N 442.476 0.466 50 20 ICGD O=C(NNC(=O)C1=S=C2CCCC2=C1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 763783016 JSKNUORLYUEQGA-UHFFFAOYSA-N 448.526 0.415 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 763865413 PJALSFQJQXEIMG-UHFFFAOYSA-N 433.421 0.283 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(-c2csnn2)cc1 763916186 BJCRVCZCXFKGJG-UHFFFAOYSA-N 435.429 0.581 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764162333 CVETXACMFFOGCV-GOSISDBHSA-N 428.420 0.752 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764187102 BPNYKOSCNQUQOQ-UHFFFAOYSA-N 438.506 0.374 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764239235 ICYHLRJCOJPEAY-UHFFFAOYSA-N 428.470 0.972 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cccnc2)n1 764268468 VAXKLGHZTNSYIO-UHFFFAOYSA-N 436.428 0.773 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1Cl 764280431 OYQGKDMASDHCFE-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 764319628 PUCXGFNVDPGOBL-UHFFFAOYSA-N 446.913 0.637 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764545360 YNMRWANAUTZTHR-ZDUSSCGKSA-N 445.476 0.721 50 20 ICGD O=C(CNC(=O)NC1CCCCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765735374 LGNMKBKNVWCXIC-UHFFFAOYSA-N 444.536 0.224 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 766265282 ZRXFQLXCYXHLKY-UHFFFAOYSA-N 448.505 0.988 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(-n2ccnc2)c1 766637113 XKUBWLSWVRKVJL-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 767323752 YMDVXYVVMGJKFC-CVEARBPZSA-N 440.522 0.845 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)ccc1Cl 782832886 VCWLJZZXSGXBGX-UHFFFAOYSA-N 440.865 0.696 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 783997671 VKAYMBUBJTVWPG-HKBQPEDESA-N 448.545 0.976 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1Cl 785120223 MZTWHTAKKZOFOF-UHFFFAOYSA-N 436.856 0.486 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1ccccc1Cl 788228629 NWVQDEVKDDNSCE-UHFFFAOYSA-N 432.911 0.799 50 20 ICGD CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 788665977 XGLIKNZAEHHABP-UHFFFAOYSA-N 440.385 0.737 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2CCc3ccccc3C2=O)cc1OC 789275656 RCGHQZWIBISDTM-UHFFFAOYSA-N 441.440 0.707 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 792375117 DMEXPSRZVWQZQE-UHFFFAOYSA-N 437.453 0.632 50 20 ICGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 792854502 KKDVAFIZHLHXHH-QGZVFWFLSA-N 443.591 0.726 50 20 ICGD Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 793392907 XXMOCDVKRREODZ-UHFFFAOYSA-N 437.453 0.848 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC2)o1 793520132 XSRXEJCWYAQAEF-UHFFFAOYSA-N 435.485 0.926 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)n2)cc1[C@@]1(C)NC(=O)NC1=O 794599560 JUXFJJQNBLUKJT-GOSISDBHSA-N 433.446 0.077 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n(C(C)(C)C)n1 797368713 GCMKTGKXCGREML-UHFFFAOYSA-N 430.465 0.959 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 797369425 VZRYZEDTMJMKOM-UHFFFAOYSA-N 440.412 0.664 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)ccc21 799259041 RQQDRQBCZJTEHC-UHFFFAOYSA-N 426.385 0.213 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 800596095 JFTPNEDUONOEEW-INIZCTEOSA-N 427.417 0.155 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)ccc1F 806978993 OVUMQRDERVPBEN-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1-n1cnnn1 813033096 FDHGFJBQRMPDIO-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 814669838 WBUOIZCZJZFZCC-STQMWFEESA-N 435.510 0.770 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 815570516 DSFYMJFZPRTZLF-MRXNPFEDSA-N 439.490 0.294 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815603617 MENJEKOFRHKMIA-UHFFFAOYSA-N 435.178 0.830 50 20 ICGD Cc1ccccc1[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)NC(N)=O 913661081 ZYTMJCTWFFOXFM-QGZVFWFLSA-N 447.517 0.806 50 20 ICGD COc1ccccc1S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 916111074 MNONHOLHZVVFNF-UHFFFAOYSA-N 427.504 0.634 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNC(=O)c1cccs1 916568781 XOYCCDRTGGIQRW-UHFFFAOYSA-N 438.535 0.724 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 917109547 VQSKNQMKJZFWBD-UHFFFAOYSA-N 449.508 0.504 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2)cc1 919686964 JKEZHSAJYDTFEI-UHFFFAOYSA-N 441.487 0.302 50 20 ICGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccc(Br)cc2)C1 920238879 MBZSQMCNMFECGN-GFCCVEGCSA-N 449.327 0.582 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C3CCCC3)CCO2)C1 1779036604 BPIDMSOIVDABED-IOUFHMPJSA-N 427.505 0.875 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781233961 PCRQXAAXSTZRIN-KGLIPLIRSA-N 434.242 0.731 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487978 QWJHDXTUCGLRAI-QMTMVMCOSA-N 426.901 0.011 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1783937289 RIQWYDXSCZXKTO-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(-c2ccncc2)[nH]n1 1788924996 IMLWZXUKEYTOIK-ZZCKCESHSA-N 433.896 0.665 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(=O)OC(C)(C)C 1795765048 GBOPAPZUERYYMP-BCDXTJNWSA-N 445.325 0.485 50 20 ICGD Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798215063 WMYDXMGHMLNLOQ-BJWYYQGGSA-N 438.318 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-n2cncn2)c1 1800726219 FIXBPIPOSVSELO-GGPHIMKMSA-N 439.520 0.892 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806925064 BEWSMHSRJORLEA-VGOFRKELSA-N 444.536 0.083 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369786 VTKTZSIHGNMDTG-DENIHFKCSA-N 445.288 0.114 50 20 ICGD Cn1c(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cccc1=O 1807986243 HEWLOWVLGNQDBO-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccnc1)[C@@H](F)Cl 1808308607 MFPSGSVDLMIDNQ-USXIJHARSA-N 446.932 0.352 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)n1 1808654394 YXTSOSDLKUDZSD-SZMVWBNQSA-N 435.912 0.844 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809675413 QLISCPKBBIEXPK-KBPBESRZSA-N 431.375 0.841 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3ccnc(Cl)n3)CC2)C1 1809977558 FWEGXLVULRSQDR-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1810302879 NAKRYEBOWPLHQS-LZQZEXGQSA-N 438.488 0.579 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1815056702 PSLLHLIGYZILSU-DTWKUNHWSA-N 432.344 0.433 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)C(=O)c1ccccc1 1815339984 YXTSNBLNFWWPAP-MRXNPFEDSA-N 449.297 0.932 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)cn1 1816637196 RNVRATNSKOOZPC-GOSISDBHSA-N 435.249 0.810 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)[nH]n1)c1ccc(B(O)O)cc1 1817472551 WQUSCGWBQQFZPD-SFHVURJKSA-N 435.249 0.343 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817479844 UMWFRGYDBDVOAM-GOSISDBHSA-N 436.281 0.372 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)c2ccco2)CC1 1823770415 DIZSOTFCRFLXGW-TZIWHRDSSA-N 440.305 0.926 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1825999694 CEORYMHZJUEVFF-UINNMSKDSA-N 434.902 0.373 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)Br)CC1 1826935027 MQOSKLWXPZAVNC-UMVBOHGHSA-N 435.338 0.889 50 20 ICGD O=C(c1csnn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055814 KPSPRUUOOPACEY-SFHVURJKSA-N 428.323 0.765 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1831653764 DFGBONUJEJOKTG-DJJJIMSYSA-N 439.900 0.053 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCCCC1(F)F)CCO2 1836621135 ATFDTTNMXKNIOB-XOKHGSTOSA-N 442.862 0.960 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1836751433 PTPRREKRDUNFEL-XCGNWRKASA-N 445.520 0.191 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837445071 BCIZALQENUAMAU-DXTMGYRDSA-N 449.321 0.605 50 20 ICGD Cn1cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1837466150 GTEYZEMVBYHVOO-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839061321 OYYOKMASJLMNRB-KBXCAEBGSA-N 426.311 0.864 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839145787 QIISPXFYCSNADW-QVKFZJNVSA-N 449.891 0.909 50 20 ICGD O=C(c1ccc(O)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200693 PKDVTZPCRFIJSM-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD COc1cc(N2CCC(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)CC2)ncn1 1841459326 IITCTDUAPGUGIC-HNNXBMFYSA-N 437.928 0.505 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1842912534 ZSUQOOMDXOREKU-UONOGXRCSA-N 432.949 0.686 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccn(C)n1)C2)NC(=O)NCc1ccccc1 1845038467 FNPVSRAHCUYWCG-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845223675 CAWQVRBFZFDRDM-KBPBESRZSA-N 433.933 0.719 50 20 ICGD O=C(CCC1CCCC1)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728341933 KVTFXEJTXZKWCS-KRWDZBQOSA-N 433.461 0.604 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCCN2C(=O)CN(C)C2=O)cc1Br 732176581 UVYOCCFIPNTELD-UHFFFAOYSA-N 427.255 0.893 50 20 ICGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1cnn(-c2ccccc2)c1 733350068 VHDBMWDEZMVIFN-UHFFFAOYSA-N 438.535 0.195 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 734416456 UHGZHPRRBSWZTM-UHFFFAOYSA-N 444.517 0.612 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cc(C)nc(C)n2)c1 736718291 BGQYBPAHQPQCOT-UHFFFAOYSA-N 434.522 0.997 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 740812396 HJRAPAPVIOUQOZ-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C 747992236 NVRRJLZYXZNZMP-QUYZQLMHSA-N 437.566 0.652 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc(OC)c1OC 752999523 UJHNWKRFPJLWSQ-GFCCVEGCSA-N 430.483 0.080 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 758840961 VAJMLEVUJBWRIB-RWMBFGLXSA-N 433.490 0.074 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 759681413 YEIORMPVFFZCSF-QMMMGPOBSA-N 444.329 0.095 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1F)CC2 763561620 OQLMMXRQWUGYFF-UHFFFAOYSA-N 434.449 0.474 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763681922 SFUOUSUXRIUIIG-UHFFFAOYSA-N 439.407 0.979 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1C(=O)OC 764110521 QDJMKBZAVAPTCX-UHFFFAOYSA-N 429.385 0.674 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764165434 YUYKFDSVQOTRQW-SFHVURJKSA-N 448.439 0.369 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCC(C)C)cc1S(=O)(=O)NC1CC1 764203952 QBBVIQILBANSAB-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br 764204923 VPFGQAACKIXNHC-UHFFFAOYSA-N 427.177 0.995 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c2ccccc2O1 764369239 AMIVUUWDGHSXSK-HNNXBMFYSA-N 448.382 0.346 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 764400937 RHDCYJYTPHGYRV-CQSZACIVSA-N 445.476 0.209 50 20 ICGD CC(C)CCn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 765735263 JBPHTQNPWMYXEU-UHFFFAOYSA-N 427.509 0.543 50 20 ICGD COC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)C(C)C 765756087 WQTXJFDISFBIGW-SFHVURJKSA-N 439.944 0.986 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 766645897 DOCZIPXMSJWYQG-IBGZPJMESA-N 441.532 0.240 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767288645 RZYMQASBOCLJOG-QGZVFWFLSA-N 439.534 0.822 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nc1C 768054250 IALWOMFCPIUUDM-UHFFFAOYSA-N 434.566 0.647 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2c(cc1O)OCO2 768291323 QAWAEKCYDXFSFI-UHFFFAOYSA-N 426.429 0.340 50 20 ICGD C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)NCC2CC2)C1=O 771252173 PBXBULVLIOLTAK-QGZVFWFLSA-N 438.282 0.957 50 20 ICGD CC(C)(C)NC(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 773132697 STECNVIYAKHMNI-UHFFFAOYSA-N 439.542 0.460 50 20 ICGD O=C(NNS(=O)(=O)CCCCCl)c1cccc(S(=O)(=O)N2CCOCC2)c1 776431145 HJALQZSIAAKUDJ-UHFFFAOYSA-N 439.943 0.291 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)CO)nc2cc(S(=O)(=O)N(CC)CC)ccc21 777781340 PHDLWXTYCQJFKO-UHFFFAOYSA-N 439.538 0.549 50 20 ICGD O=C1CN(CCNC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CCN1 781407338 YMJKTROQCLZCJE-UHFFFAOYSA-N 441.488 0.407 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCS(=O)(=O)C1 783423869 BBFQHXBDGODMEZ-GFCCVEGCSA-N 425.692 0.634 50 20 ICGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783425792 DJXWXUYQZFECJT-SFHVURJKSA-N 426.564 0.685 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Cl 783428673 YIFGBBUOJFBNJF-GOSISDBHSA-N 444.941 0.959 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc2ccccc2cc1O 786415128 XMUIFMYYMOILAZ-UHFFFAOYSA-N 425.401 0.855 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)CNC(=O)c1cccc(Br)c1 788230482 NJPIKBHEYXHYGW-UHFFFAOYSA-N 427.280 0.970 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 792878585 ADFYHSQGYNNCJM-MRXNPFEDSA-N 427.417 0.278 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 794498286 SLUWOMZNPVTODP-ZIAGYGMSSA-N 445.542 0.222 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 801110479 AFNPGTSPRACIOQ-INIZCTEOSA-N 438.440 0.905 50 20 ICGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(F)c1 802570845 XOMGWWJOEPQYPU-UHFFFAOYSA-N 449.439 0.947 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 810384618 HGDBRZILSZHRHB-MRXNPFEDSA-N 433.384 0.065 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c(F)c1 813033675 FZTKWVMECIXFSD-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccn3)c2N)c1 814722265 RPQPZVWQXKIRAA-UHFFFAOYSA-N 429.462 0.175 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)n([C@H]2CCN(Cc3ccccc3)C2)n1 815778715 CRSPBCHMPBGNTR-ZWKOTPCHSA-N 440.504 0.903 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNc1cnnn1C)n2C 816771110 YSOBLGXNSSLEKJ-UHFFFAOYSA-N 434.526 0.808 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)c1cccs1 914749615 HLVNMBNOWLCPGK-UHFFFAOYSA-N 430.895 0.582 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc(Br)c1 917625363 PJEITCWPBUEADN-JTQLQIEISA-N 442.295 0.534 50 20 ICGD CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NNC(=O)NC)c(O)nc1=O 919877739 XZUKFBBRLDUDNL-UHFFFAOYSA-N 425.490 0.061 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 921125866 XGZJPARWUGJGJR-OAHLLOKOSA-N 445.501 0.686 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 921160478 LJHRJUZGVCMMHU-UHFFFAOYSA-N 432.458 0.727 50 20 ICGD CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CN3C(=O)CNC3=O)cc2)cc1 1317697944 BDBNVTLUHSYHAG-UHFFFAOYSA-N 426.429 0.977 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2c1=O 1319952929 VWESNQYNYWSPMS-ZDUSSCGKSA-N 426.477 0.932 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779535804 CNTWBDOGFXLXSD-KYZVSKTDSA-N 430.343 0.974 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334053 USVABGLXESCZIL-WBMJQRKESA-N 431.262 0.800 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1782862732 YJPGALBWMVNETP-FRMXMINTSA-N 446.410 0.810 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783355538 VAMUAPJTGDJIJH-HEHGZKQESA-N 437.356 0.567 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984724 BFMQZBHOGDUVNB-ZVZYQTTQSA-N 443.334 0.292 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787435685 FMNARCREPZBYSV-RCWTZXSCSA-N 427.242 0.860 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)NCc1ccco1 1788719879 AUGKNWJIKLKRQA-BOPAVMOTSA-N 427.860 0.966 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21)N1CCN(C)CC1 1789795347 WOPWFPKSSLQXKB-OWSLCNJRSA-N 429.005 0.867 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1790575049 YHKOYSLBQQZSTG-VOAKCMCISA-N 435.388 0.234 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1790963900 NUAJNRAIROUKFN-FQUUOJAGSA-N 442.310 0.065 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794110984 AEIHKCIRMYTCNE-YLLRLKMBSA-N 438.912 0.600 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1F 1795736696 BEFAQMGSETYINI-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]cc2c1 1796148941 RKYKXCKBEKAPGI-CCWDJLKJSA-N 449.471 0.078 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800133710 YLFMNYPKYMKFNL-FVCICTRLSA-N 435.532 0.923 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1800970315 BQRRQYDCNNRZDD-ZMMAXQRCSA-N 437.924 0.602 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CSCSC1)C2 1800976682 BYNOJQSEYUTMCH-UXXRCYHCSA-N 438.015 0.873 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)Br)c(=O)nc1O 1801967323 AZSJSEHZRQKAJC-RVMXOQNASA-N 427.299 0.679 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H](O)c1ccco1 1802519780 NEFZSHKBTJVOBM-IOMROCGXSA-N 449.272 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376062 RVINDXKFDMSLEB-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CCOCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298581 JHILIKOPOLBWCG-BEFAXECRSA-N 426.477 0.436 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(F)c[nH]1 1812913025 GUEBRBATYZOECP-OXQOHEQNSA-N 436.252 0.862 50 20 ICGD CC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674258 OTCCZHFOUBWVQC-YUMQZZPRSA-N 436.885 0.512 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401477 DAXFZLMXQHAXKO-IRXDYDNUSA-N 440.508 0.808 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1 1819403946 OKXZWWIHMAVRLZ-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1)C(=O)C(=O)O 1821713879 ZUOBTYNKRXXCIM-LLVKDONJSA-N 444.286 0.730 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CC(=O)C2)n[nH]1 1823406448 BOZMIWUCXVRKKU-INIZCTEOSA-N 425.449 0.693 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)CC1 1824717996 AINJYVFSXYGNBQ-IBGZPJMESA-N 445.564 0.992 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)c1F 1830535148 JYAPMWPUCBKBAJ-APPDUMDISA-N 447.305 0.958 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1830537153 CDQJRGLIHFKJLB-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738781 SNKVOZOFXHPONE-OXJNMPFZSA-N 444.887 0.433 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831436783 BHFFOWYWJFWLBV-FQEVSTJZSA-N 429.326 0.126 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)n3)CCO2)C1 1832772519 OVOLSZRUQGJXLF-OXQOHEQNSA-N 441.912 0.343 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448851 KDHOBVYZPOSANU-CXAGYDPISA-N 429.315 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835809862 IWRQBVKKGQBIIE-YJBOKZPZSA-N 440.976 0.740 50 20 ICGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCCC1 1835933993 JSDHATQBQWGMKY-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835937371 SHWUYKWRNPKKRB-JPYJTQIMSA-N 442.321 0.183 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836413932 RJZUSMQGZWFMSQ-ABAIWWIYSA-N 435.338 0.773 50 20 ICGD CCO/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922186 USFQUUNIIFWGIB-XNTDXEJSSA-N 430.310 0.529 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837971825 JIBMTUIAOQZPHY-SJCJKPOMSA-N 431.283 0.625 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839150354 KGCPIKGSRGFBSC-ROUUACIJSA-N 431.320 0.712 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1Cl 1840151776 NHCQKFBYJSAAAD-KZULUSFZSA-N 449.335 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1840182853 KDDGKEGPRPLFKN-HNAYVOBHSA-N 446.495 0.251 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840855408 HCZFOPCTELYJLX-DHSIGJKJSA-N 448.358 0.531 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1841925020 GLDCIGBJSHJRBZ-IHRRRGAJSA-N 430.933 0.045 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843012442 PRSSLCTVSKMRNQ-DLBZAZTESA-N 428.294 0.163 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 23157502 AQWAGRRNMKMLJO-VGOFRKELSA-N 436.424 0.367 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(OC(F)F)c1 728545090 XIOCYCGHZQLQOD-VXGBXAGGSA-N 431.417 0.085 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 729688880 GOUDAZZYCCNPFW-UHFFFAOYSA-N 433.515 0.915 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c2ccccc2n1 730673425 VHDJCVYXMABTNA-UHFFFAOYSA-N 437.547 0.866 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1S(=O)(=O)N1CCOCC1 730781411 LTDXMWNSZNHMAQ-UHFFFAOYSA-N 449.485 0.562 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 731865498 LNSRCKDTTMOGSJ-UHFFFAOYSA-N 430.446 0.706 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474796 WPFDPIOXOANNEG-CZUORRHYSA-N 446.501 0.412 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1OC 734685405 DBWKRVSOOYIJHZ-SFHVURJKSA-N 449.552 0.835 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCn3ccccc3=O)cc2)CC1 735115645 KUQGPTPMTHWYMX-UHFFFAOYSA-N 433.534 0.708 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)COCc3ccccc3)cc2)NC(=O)NC1=O 739009322 NBVOUSYQEADBJW-OAQYLSRUSA-N 425.445 0.788 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)cc1 743727623 DACKLKSHHFIXCC-UHFFFAOYSA-N 428.264 0.937 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCNC(=O)CC2)cc1 743928441 FXBKTZNMFYGEAS-FOWTUZBSSA-N 436.472 0.690 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 753954086 NTBSEFUYGRDDMO-UHFFFAOYSA-N 425.493 0.223 50 20 ICGD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 758048730 UVDIFAIHNJOFGE-LBPRGKRZSA-N 427.483 0.530 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758821274 LXOHNLLWKQLRGO-LLVKDONJSA-N 431.836 0.883 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@]34CCC(=O)N3CCS4)n[nH]2)cc1OC 763147436 HGPGLSOMBPOQER-IBGZPJMESA-N 431.474 0.920 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2c(C)noc2C)c1 763507736 CGBSXEGXIRDAMM-UHFFFAOYSA-N 437.478 0.722 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763573304 YKTJSNOALWONRH-OAHLLOKOSA-N 425.401 0.356 50 20 ICGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)CNC(=O)c1cccnc1 763824830 NBDFAMKSVATMTE-UHFFFAOYSA-N 434.250 0.151 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)n1 763884310 FHGRJWFFGGJACW-MRXNPFEDSA-N 428.493 0.679 50 20 ICGD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921034 GLHHYMVPDCCFEJ-UHFFFAOYSA-N 425.453 0.384 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)[C@H]3CCSC3)cc2)CC1 764139874 BQJXBVGUCCYIJR-INIZCTEOSA-N 427.596 0.503 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764280651 RAPYWVNTTMUZPZ-UHFFFAOYSA-N 448.457 0.097 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1C 764365779 AZOBRWIYDOAGCM-UHFFFAOYSA-N 434.474 0.254 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 764388725 IKHOEOSEWRZUFI-UHFFFAOYSA-N 430.852 0.379 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 764425249 OCNHGJDMBOIYNY-ZDUSSCGKSA-N 427.339 0.392 50 20 ICGD Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764433274 LVWIHDUTFNKVCG-KRWDZBQOSA-N 432.477 0.368 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1)NC(=O)CC2 768236925 GWKUDJCWTXMUAY-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 772190081 FXCBAGKVDDVBEX-CYBMUJFWSA-N 435.477 0.858 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 773680650 DRFKSTMFKDQAMC-UHFFFAOYSA-N 429.458 0.661 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 778443424 QTGAXEWQUNNSFN-UHFFFAOYSA-N 429.433 0.296 50 20 ICGD Cc1cnn(-c2c(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c(C)nn2C)c1 779051792 KNASVSQIZXWHSR-UHFFFAOYSA-N 445.343 0.663 50 20 ICGD COc1cccc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 780772251 HVMZDPXNMBYHHV-CQSZACIVSA-N 442.519 0.315 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1F 782121422 YAKJTEOBYHEHMC-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)n(-c2cccc(C(F)(F)F)c2)n1 782965694 HRUNGSNAEACKQK-UHFFFAOYSA-N 438.366 0.564 50 20 ICGD CC(=O)N(C)c1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783265833 YJDCANQCHKMUJW-UHFFFAOYSA-N 448.505 0.833 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)n1 789740892 KNTXBNMOZDSGAO-UHFFFAOYSA-N 431.403 0.965 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(Cl)cc1OC 799520463 ZVIKBOOBYUQYCM-UHFFFAOYSA-N 433.895 0.880 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 801105018 KMBYIDWURLEWSK-UHFFFAOYSA-N 433.425 0.127 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@H](C)O)cc1 804954863 IUKWVDVZMBAUDY-SUMWQHHRSA-N 431.478 0.142 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 806568529 UNLAIFYNMIXDIB-LBPRGKRZSA-N 442.416 0.227 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692620 WDAAWPJSZDZKEB-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1Br 815692790 BRUGSQFXGLBKIY-VIFPVBQESA-N 437.254 0.398 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1OCC(=O)N1CCCC1 918225622 ZYQSASAAGHISIH-MRXNPFEDSA-N 431.493 0.748 50 20 ICGD COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)CN2CCCC2=O)cc1 920435370 HBQNECICFQNTKO-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CN3C(=O)CNC3=O)cc2)n1 1318088352 RJWOLEUVOMIOCU-UHFFFAOYSA-N 428.474 0.699 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779077512 COFQQROXHVEWIQ-CTNGQTDRSA-N 448.350 0.070 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)CCBr)CCO3)C2)no1 1779124848 QNXKUEAYLJCDCM-KRWDZBQOSA-N 443.298 0.328 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779696921 IJAQYXVYMXDVMN-SPYBWZPUSA-N 440.884 0.556 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210842 RASNOIINUOTNAL-DYESRHJHSA-N 434.541 0.404 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccoc4c3)C2)C1 1782324069 KMCBVHNBVULKEL-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933323 URSPUNGJEWODKA-QFIPXVFZSA-N 433.553 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1783933548 ABNMPKBZPIYHPR-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)cc1F)CCO2 1783936888 KYRAKCLLKAYJKV-NRFANRHFSA-N 438.475 0.710 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937573 UTLVMTLQTJEBMS-ISGGHPHESA-N 444.532 0.911 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784106048 MAJZHOBDZSRJRG-DVECYGJZSA-N 449.511 0.859 50 20 ICGD COCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C[C@@H]32)CC1 1784471967 QIWNUHCPFSGCQM-SMKMMKTPSA-N 445.520 0.527 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1785708597 LJOFMDYWUNBPKI-UGSOOPFHSA-N 431.917 0.473 50 20 ICGD Cc1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1786105157 LFFGLUYKOWXLRU-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD CCc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788952423 DOBGMYKQCMRECJ-IEZWGBDMSA-N 441.293 0.132 50 20 ICGD CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791292188 DCHBPPRFMCNEDL-FHWLQOOXSA-N 437.585 0.071 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791601194 USILFXOVBMBQTR-SFHVURJKSA-N 447.536 0.645 50 20 ICGD CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1792479545 HSWLIRNJZROQRL-MMWGEVLESA-N 432.344 0.814 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2)[C@@H](O)CCl 1792975307 NLAILYDJWJICBT-IFOZYUSPSA-N 439.921 0.252 50 20 ICGD COC(=O)C12CCC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)(CC1)CC2 1792981054 DFWRFSQMXXCELA-YFQBQFEZSA-N 442.940 0.689 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794117042 WSDGLOZKTWNDJV-ZSBFGKGUSA-N 439.610 0.919 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(Cl)ccc1F)C2)c1ccc(B(O)O)cc1 1795732558 VFFXBVVINSXNFD-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795983651 WXXUOBVUZUBJOV-CLLJXQQHSA-N 432.437 0.255 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1CC1 1796358900 TXZAIVOCTQHBEP-QRJUGERDSA-N 445.944 0.479 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009013 XSJWVKQSVCEKJR-GUDRVLHUSA-N 430.259 0.552 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440816 VXEJBZHMIFKSCH-JONQDZQNSA-N 425.493 0.470 50 20 ICGD C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1798625682 JWTZDFRLDDLDHC-CLLJXQQHSA-N 440.598 0.941 50 20 ICGD O=C(CCc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800796387 DDTHRNUQUBVNCD-OPMZPASUSA-N 440.280 0.342 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804182291 AYWLTHFDWYEERU-YOEHRIQHSA-N 435.912 0.904 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnsn1 1804994681 MHMQNPXDKXWGGM-QAPCUYQASA-N 437.290 0.246 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360230 IHECIUKWWMFQBG-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(F)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363198 YVYXQAIXCKGYQP-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363867 BZYJDCOUUNPQHM-KMHBYZIFSA-N 449.316 0.649 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371393 UAMMNWAFCXSANY-LAUBAEHRSA-N 439.277 0.034 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175785 VHRYEYYPNQVUOG-IIBYNOLFSA-N 444.564 0.864 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)[C@H]1SC(=N)NC1=O 1814871001 HNXHNFIKNJTEJZ-UIMWLRQOSA-N 442.929 0.804 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814893596 YHIHUEKCBSUXRK-MOPGFXCFSA-N 439.325 0.880 50 20 ICGD Cc1nc(C)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)o1 1815360516 IBTCCHYSACKHDU-CQSZACIVSA-N 440.290 0.967 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474332 DEABEKVOBBCMNS-KRWDZBQOSA-N 449.276 0.617 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccn1)CC2 1819794648 AITDWMAHGGCIHL-JTQLQIEISA-N 438.473 0.471 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822185203 YURNRAVAQWPBCT-NHCYSSNCSA-N 429.319 0.778 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824588844 QXFNSOQQGDKVST-DNVCBOLYSA-N 429.326 0.111 50 20 ICGD Cn1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)cn1 1825931343 SATBFDPSZMSRCH-IBGZPJMESA-N 439.520 0.966 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1826000497 UQNRKNDBABHGNM-NTZNESFSSA-N 432.930 0.460 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055579 DIPKHMZINNIHFX-SFTDATJTSA-N 443.353 0.514 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829867865 ZWRPKRJEIMKREA-HDMKZQKVSA-N 448.358 0.531 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830544341 VMPRSHFWHXOYOF-DAYGRLMNSA-N 434.375 0.814 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830724176 WDLBIWRBCVQXOV-FXAWDEMLSA-N 426.897 0.294 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc2c[nH]nc12 1830735555 IERUDTBGSIXXKG-UZLBHIALSA-N 436.896 0.541 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832363203 OYYUUOKXHZKAKK-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833703996 WJVIYDPPXLCDJV-QGZVFWFLSA-N 447.305 0.723 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833947453 WSNKORALQSTJLU-HNNXBMFYSA-N 427.933 0.565 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597203 WZLYBFRLHXMSJM-ZWKOTPCHSA-N 433.288 0.946 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836395208 XZIZEMAMXXRDEQ-LSDHHAIUSA-N 427.933 0.174 50 20 ICGD O=C(c1nccc2nc[nH]c12)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836457098 DWQDSJKKUVILOJ-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD O=C(c1cn[nH]c1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920355 OMSSMOMMYWIEDX-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1840033701 NBNOMGIQEOOQNR-SIBFUHKCSA-N 444.370 0.566 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840154927 KOQMLQGGNHFDOU-BEFAXECRSA-N 426.901 0.153 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnn(C)c2)C1)NC(=O)NCc1ccccc1 1842445058 PAYBOESWICBMNK-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD CN(CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C1=NS(=O)(=O)c2ccccc21 21191427 VIVQPVAWAKUEKJ-HNNXBMFYSA-N 430.442 0.055 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(=O)O 727719526 CPFIOBYJQLMHFK-UHFFFAOYSA-N 427.460 0.585 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 728931640 DRZAAAQTKQIPEQ-OAHLLOKOSA-N 439.944 0.260 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 729275064 KEMDHBKANIIGMS-LLVKDONJSA-N 434.503 0.695 50 20 ICGD COC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 730769689 YFGGCRYOVIGPFN-UHFFFAOYSA-N 434.474 0.672 50 20 ICGD COC1CCN(C(C)(C)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 730824826 GQXMQZHIMMEAHM-UHFFFAOYSA-N 433.557 0.913 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732342624 VRFOUFJJXQITSV-ZDUSSCGKSA-N 438.462 0.847 50 20 ICGD Cn1c(CC(=O)NNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)nc2ccccc21 732594402 AKNJOOFMJYSSHA-AWEZNQCLSA-N 435.488 0.824 50 20 ICGD CCS(=O)(=O)c1ccc(N2CCC(NC(=O)NNC(=O)c3cnn(C)c3)CC2)cc1 735579894 NBARRIWZBCUPLK-UHFFFAOYSA-N 434.522 0.827 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 742477792 KUESHTXORSUSHH-ZDUSSCGKSA-N 449.485 0.573 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F 742486842 BBLPBZALZDQDBA-LBPRGKRZSA-N 437.440 0.986 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 744633726 UVLGRBXRSIIZHT-UHFFFAOYSA-N 429.454 0.525 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745005243 XFFPFZJGZCBPAF-UHFFFAOYSA-N 436.471 0.488 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2)C[C@@H](C)O1 745992619 FRQIXBPJARUVCE-ZIAGYGMSSA-N 426.495 0.171 50 20 ICGD COc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)n1 746633560 XFCXZNZVAFFDHP-UHFFFAOYSA-N 437.478 0.580 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 746664012 DTTRGIQLQZDKOD-UHFFFAOYSA-N 433.446 0.488 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 748640943 PLQZOOOIHXJBOG-UHFFFAOYSA-N 435.853 0.897 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(C)o1 751297852 PZIQOVZWPKXSTE-UHFFFAOYSA-N 449.533 0.469 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2ccc3c(c2)C(=O)NCC3)nc1 758686929 YLDHTOOSIACVKS-UHFFFAOYSA-N 432.506 0.881 50 20 ICGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 763572583 SHIULIKJFSUIFC-HNNXBMFYSA-N 432.364 0.930 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763680387 GQYJUAULHPJLTD-LBPRGKRZSA-N 432.408 0.964 50 20 ICGD O=C(COC(=O)c1cccc(Br)n1)NNC(=O)[C@H]1COc2ccccc2O1 763769598 LKEVHLOGLNNZBJ-CYBMUJFWSA-N 436.218 0.988 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)cc1 763861481 PWWLGCABYLAERX-LLVKDONJSA-N 432.408 0.877 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763865906 MHEBVBBINNHJDR-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1C 763977941 BLSACPJLGGISRM-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)c1 764143500 INKMVBYTSQYUHC-UHFFFAOYSA-N 441.469 0.851 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 764610131 XMUXWCKIHWQZBR-ZDUSSCGKSA-N 426.458 0.642 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 764739714 GKMDSEPHTRJURR-UHFFFAOYSA-N 432.448 0.998 50 20 ICGD Cc1sc(=O)n(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 765736528 UIIRXEUCOQVPOI-UHFFFAOYSA-N 431.518 0.132 50 20 ICGD Cc1sc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 767464784 YRBMIFZTAVVWKL-UHFFFAOYSA-N 426.480 0.981 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276972 QOZUMCROMIQYIK-HNNXBMFYSA-N 444.467 0.158 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCCn1ncnn1 771571736 OTQLTSIZFQYQEG-NTEUORMPSA-N 439.867 0.789 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 772163014 HWPCAJSDEYZMDE-MRVPVSSYSA-N 436.284 0.508 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H]1OC 776531615 NAMJCTSKYDPMBL-INMHGKMJSA-N 428.511 0.138 50 20 ICGD C[C@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)CBr)CC2)NC1=O 777833689 YTKRVODIZKBOBD-SNVBAGLBSA-N 432.296 0.846 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1OC 782833439 IMQAUZVASHDMDO-UHFFFAOYSA-N 436.446 0.562 50 20 ICGD COc1cccc(COc2cccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)c2C)c1 782966708 ORRSQKRDHMAUSQ-UHFFFAOYSA-N 440.456 0.947 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)cc1Br 784002706 KDPJDLZOZMEPDS-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)N1CCN(C)CC1 788169460 ORWAYFNMVSAFIP-UHFFFAOYSA-N 428.419 0.681 50 20 ICGD CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 789869942 WXRNZBQVVKPCAJ-CQSZACIVSA-N 447.579 0.939 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)n1 792984213 GBKJYLQEQBOVIW-UHFFFAOYSA-N 448.285 0.259 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(S(C)(=O)=O)CCC3)cc2)CC1 793711411 GXLPUNNCIIZIGD-UHFFFAOYSA-N 430.552 0.033 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 794578172 FUIQHUCSYXVVMG-HNNXBMFYSA-N 441.487 0.053 50 20 ICGD COC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 804121494 JUFFBDKGEXHEQO-GFCCVEGCSA-N 441.915 0.151 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 807382146 YZNCYVNZWCNJAS-CALCHBBNSA-N 426.477 0.567 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808186067 JIBAZDKVOKQYSV-UHFFFAOYSA-N 438.462 0.261 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1 813033995 UQJOAKNFFUPNSV-UHFFFAOYSA-N 437.478 0.439 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1 815827332 VHBCKNPVCTZQMG-UHFFFAOYSA-N 439.472 0.477 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNc2ccccc2OC)n(C)c1 825649327 LSUIBAVCIAYWOL-UHFFFAOYSA-N 437.522 0.937 50 20 ICGD O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916578147 VKKXKDHPWNUBBL-OAHLLOKOSA-N 435.550 0.899 50 20 ICGD COCCN1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 920814232 IWJCYVOCXNWODZ-UHFFFAOYSA-N 432.569 0.640 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3nccc(N4CCOCC4)n3)ccc21 1340468490 YZUOCHGLEFGIMN-UHFFFAOYSA-N 439.476 0.095 50 20 ICGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c2ccccc21 1778168158 TWNSQRWPANYESN-IBGZPJMESA-N 441.315 0.974 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccncc1F 1778381822 FASKGJFOEHSYCK-DENIHFKCSA-N 441.268 0.342 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CCN1 1780776733 FNKSTWCZUPJXEL-CTWCOEIASA-N 434.306 0.717 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1781338844 NIUKQVKOAVMMNE-VEVIJQCQSA-N 437.896 0.626 50 20 ICGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783355410 QQEZCOHXMFMBKZ-MLGOLLRUSA-N 435.388 0.474 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783633513 NUDSFKOUQWWQTM-LXFSFDBISA-N 430.343 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1783939266 BRWJSJOJIMHUFQ-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)CC)[C@H]2C1 1784453036 DJYCJISSGZIFHT-FQUUOJAGSA-N 439.372 0.574 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nccc2occc12 1787180381 OZFLPHGQVQLNRP-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cnn2c1OCCC2 1790372353 RGBJJKKYXDEKFQ-PYJNHQTQSA-N 445.289 0.949 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C1CCC2(CC1)OCCO2 1790734078 HRWCHQWUTLQBPN-NXOAAHMSSA-N 430.929 0.499 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791057831 YASLDAANRKZQIZ-IMIFBBOLSA-N 444.286 0.554 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CCc2ccccc2[C@H]1O 1796187739 ARGBINJYWFXVCY-XLGPZGCCSA-N 448.328 0.914 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956168 GJYPKQSXLZMIBM-XRGAULLZSA-N 445.589 0.271 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346500 AOWWCOGXHWDCQO-SVNGYHJRSA-N 425.251 0.828 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801287372 RNBXDICEEXUTBC-NXOAAHMSSA-N 430.553 0.915 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803139789 VYJYRRHSCYKAHG-HCXYKTFWSA-N 431.924 0.652 50 20 ICGD CCn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805914490 WXUCVXKXAALWOI-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1)C(=O)O 1807209014 JABOHSSHXRTSPY-KLZNWCGWSA-N 426.901 0.404 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809728774 GNBBHVKPYOTSFZ-UHFFFAOYSA-N 430.553 0.918 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977246 BQCZZDGKEYSVBR-LJQANCHMSA-N 429.326 0.126 50 20 ICGD CC(C)(C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814817287 IXMLWQLSQDERRJ-SJLPKXTDSA-N 428.298 0.802 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336812 FOKXSNBAQQNCOV-YLVFBTJISA-N 431.323 0.456 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1(O)CCC1 1815347565 DGEKERVMCBEVBQ-WFASDCNBSA-N 443.334 0.600 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414661 XPDBGENVMVUUPE-CJNGLKHVSA-N 435.529 0.642 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824972072 GHTPJXKXTCNRAT-JSGCOSHPSA-N 443.342 0.941 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050624 AVQDYGXDLNFKSS-CTDFXDFQSA-N 442.321 0.719 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725781 RTVLATRPXLEFSV-DNVCBOLYSA-N 428.917 0.308 50 20 ICGD CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1)N(CC)CC 1831674942 LRYPYVPXFAJKKQ-MBOZVWFJSA-N 433.977 0.817 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cnn4ncccc34)CC2)CC1)[C@H](O)CCl 1833310195 BRYAHGCPFGTJPD-GOSISDBHSA-N 434.928 0.514 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1835939877 LUXRDUSEXUQDMO-QHCPKHFHSA-N 442.321 0.017 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837679588 PNKBPWDZTZIGOL-CLCXKQKWSA-N 433.933 0.001 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839142475 QBHGUIUUTTVFIQ-IFXJQAMLSA-N 443.953 0.952 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cn1 1839198161 WAJHPHXANYFHQF-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199511 PFTFCSPKULOGIH-YOEHRIQHSA-N 447.305 0.972 50 20 ICGD O=C(c1cccc2ccncc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839507047 ZYRFOEPLXBBIIE-RXVVDRJESA-N 433.892 0.905 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839963837 XVBGSCAVSSZVRW-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839997518 RFNHMSPTSDIOME-UTKZUKDTSA-N 438.908 0.220 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840031198 IPIZNMGJCMMPTR-BZNIZROVSA-N 431.287 0.160 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844208754 REROFZMULQOGCY-PDGQHHTCSA-N 431.257 0.219 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1846360642 XBEYPAVULWQFJF-KBPBESRZSA-N 433.933 0.719 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2c(=O)n(C)c3ccccc32)c1 10823305 URGFMIRTULRPKS-UHFFFAOYSA-N 445.501 0.442 50 20 ICGD O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=S)NCCc1cccs1 11515576 PWJQLJRLOPJZME-UHFFFAOYSA-N 437.572 0.915 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(-n2cnnn2)cc1 725860684 VGZXVPNQZITPTD-UHFFFAOYSA-N 436.432 0.180 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CSc2ccc(Cl)cc2)cn1C 725877788 KXUYBYXCBXSKMZ-UHFFFAOYSA-N 445.954 0.990 50 20 ICGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 727230023 YRPCKBGEZDXUMY-HNNXBMFYSA-N 447.521 0.330 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)Cc2cccnc2)CC1 728957081 ILTRJHPOSNTTRE-UHFFFAOYSA-N 434.497 0.472 50 20 ICGD CCN1CCCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 732470076 ZXAVNYOCFLXLHL-INIZCTEOSA-N 439.586 0.518 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1 741144123 FRGLLIIQQQYDCI-UHFFFAOYSA-N 434.272 0.105 50 20 ICGD C[C@@H](CC(=O)NNc1nc2ccccc2c(=O)n1C)/N=C1/NS(=O)(=O)c2ccccc21 742673009 UCEXCEWHKQVDJO-LBPRGKRZSA-N 440.485 0.894 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCn2c(=O)nc(O)c3ccccc32)cc1 743829510 SIVYYISYYYEBHF-UHFFFAOYSA-N 445.457 0.749 50 20 ICGD CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 750059461 ICSMMTMOLGPPKA-HNNXBMFYSA-N 441.492 0.618 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccn1 763097222 OVNQUIKWKKCMOD-UHFFFAOYSA-N 439.476 0.413 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 763660890 JVEBZEKYZKFURW-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764035011 QREIHTPOCHPONC-LBPRGKRZSA-N 446.485 0.758 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764165432 YUYKFDSVQOTRQW-GOSISDBHSA-N 448.439 0.369 50 20 ICGD Cc1nn(C)c2ncc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc12 764203071 IZMMTKVZPLLZCM-UHFFFAOYSA-N 433.469 0.668 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 764244762 JZXQHMFAUKEJNB-UHFFFAOYSA-N 437.456 0.942 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(C)C)CC2)cc1 764549321 XRKPCUXMNYJGOD-UHFFFAOYSA-N 440.522 0.112 50 20 ICGD CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 768237423 KNMKPHPTUDZQOE-UHFFFAOYSA-N 447.379 0.601 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 768731081 TZQKWLOPTXFNBZ-UHFFFAOYSA-N 430.483 0.318 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1OC 778237672 VCPDZKNFIOZOFW-GFCCVEGCSA-N 432.399 0.465 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cn2ccc3ccccc32)[C@@H](C)O)cc1 779515304 QEVHJGXLERXPOE-FOIQADDNSA-N 444.513 0.825 50 20 ICGD COCCn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)n1 782554483 DCYQEKPVZQGQNK-UHFFFAOYSA-N 428.493 0.057 50 20 ICGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 787125126 DQRPDJJGGLGFCY-DLBZAZTESA-N 435.956 0.897 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 787545953 XHCGSYBIZQFOGT-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789812049 IPRRKPMEFMUDOT-ROUUACIJSA-N 445.497 0.890 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789941895 NGDRRYQQJYOXCQ-HXUWFJFHSA-N 432.477 0.445 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 798110816 RBOSARIRHLTIPO-SHTZXODSSA-N 439.538 0.440 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799258589 GTVQWFOHHBUQNG-JTQLQIEISA-N 428.287 0.813 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCN(CCS(N)(=O)=O)CC3)cc2C1 799857762 USPSIWRZOMDZPK-LBPRGKRZSA-N 429.568 0.133 50 20 ICGD COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2)cc1 806788598 VVIXCUWRKBPQHM-CXAGYDPISA-N 448.501 0.251 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3nccnc3c2Br)n1 806974914 IIQXFRFPKNNZEC-UHFFFAOYSA-N 446.265 0.992 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc(F)c(Cl)cc1N1CCOCC1 808902113 ODOQRUCJWVNDQU-SNVBAGLBSA-N 434.877 0.903 50 20 ICGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc2cccnc12 812881824 ZKRSLBSHRFDVDJ-AWEZNQCLSA-N 433.490 0.214 50 20 ICGD CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916291886 IQIFTYXXPWPWBP-KRWDZBQOSA-N 433.442 0.730 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2nc(C)cs2)cc1 916573420 HRXHQNPFACRTAE-UHFFFAOYSA-N 425.536 0.954 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)ccc1Cl 917919656 VHYSZUKGUSIVHS-GFCCVEGCSA-N 442.925 0.930 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C)cc2O)cc1 918338924 PIEOMZFMLICQTI-UHFFFAOYSA-N 434.474 0.741 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1I)N[C@H]1CCS(=O)(=O)C1 919886897 WCJOALPAZNFABC-QMMMGPOBSA-N 441.222 0.561 50 20 ICGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)nn1 919926227 LGEQGKRBLALWFR-UHFFFAOYSA-N 436.472 0.797 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3CCOC3)CC2)cc1 921202843 HQENLNYGHFAFEP-HNNXBMFYSA-N 425.507 0.670 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1779037356 WWFBEBSWPWQITN-NRFANRHFSA-N 443.435 0.287 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1)C(=O)O 1779543586 IZLHWZILSOXOMT-QMTMVMCOSA-N 429.590 0.415 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780098432 ACAVUTCJRRAEPU-SCLBCKFNSA-N 426.311 0.860 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783595290 GXYFUOUCHVPDKX-QHCPKHFHSA-N 440.280 0.582 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783879390 ROTSFVSSCHGLBZ-APWZRJJASA-N 436.933 0.140 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785574911 ONXFJKGXFSPHTH-AJNGGQMLSA-N 426.901 0.646 50 20 ICGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)o1 1788920551 BMHKFOGVCWOBFJ-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056955 JFCYUDBBSOFCDH-CYDGBPFRSA-N 427.299 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccnc1Cl 1794240500 LTMMZKQFDGBFEH-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1794334221 NBBSZDXCTWXAOX-DPIQGUFMSA-N 445.501 0.272 50 20 ICGD COc1c(Cl)ccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188532 RDJOIZMSQSXGAK-MUJYYYPQSA-N 443.696 0.989 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)n1ccccc1=O 1797935528 JQNWCOOTXRKZTI-AMVBZWJASA-N 430.274 0.689 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1oc(C)nc1C 1798142628 PYIAFLYJLMYVHA-HXQQXZKVSA-N 442.476 0.629 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1798537517 LMHMJBYBAHZPKW-CZAMWMTLSA-N 440.884 0.464 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1800979409 FSLHEPPFZARVKA-LMCLKVLCSA-N 434.924 0.596 50 20 ICGD COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802086854 REZMYJFNCJKOMM-BCDXTJNWSA-N 442.557 0.067 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802343552 GFJSVZOAGGPSDQ-SEDYWJOHSA-N 446.504 0.828 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803142534 XVSBLMXBPCHOPZ-UNEWFSDZSA-N 431.880 0.495 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806375709 WQSOOYLSMNESNY-DYESRHJHSA-N 439.277 0.034 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806375711 WQSOOYLSMNESNY-UTKZUKDTSA-N 439.277 0.034 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361240 WHHQZHLHAKXCBQ-NQIIRXRSSA-N 425.294 0.506 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1cncn1 1809980507 UKKYWVLDQVMDPU-INIZCTEOSA-N 425.298 0.064 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1 1810301642 BCLMMDQYGXOBCB-KXBFYZLASA-N 446.471 0.504 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncccc1F 1811121457 HPNIALKNNOJGNR-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814848272 SOTXGMVJMYQBTK-YLVFBTJISA-N 430.339 0.422 50 20 ICGD Cc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339453 GIEMOPGHPSRXQM-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD C[C@@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822605070 LVJOXHDEQPPHCB-GMOBBJLQSA-N 431.356 0.809 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1823496821 PKVNPZZHAVAWDM-QWRGUYRKSA-N 445.954 0.862 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825076614 IVQSMSHOVWJRMA-IACUBPJLSA-N 443.342 0.988 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830541111 XWVQCZWLVDTCJW-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(OC)c1 1830732085 QXTPQOKAMLYISC-OXQOHEQNSA-N 442.896 0.374 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1833264645 MLZTUGLHCPINFT-UONOGXRCSA-N 443.386 0.725 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834818785 AVBXDTBIJJYUOU-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835073079 WXOBWLUYEIKDTG-AWEZNQCLSA-N 439.887 0.922 50 20 ICGD Cc1c[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835164054 TWMYFHFTGFIRFY-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064481 QMDXPVRNNNVWCU-MAUKXSAKSA-N 443.342 0.593 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883503 IZZGCPMYRJCVAC-DOMZBBRYSA-N 447.374 0.361 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@]3(C)CCCN3)CC2)CC1 1838633004 ZQXNTXZUUOKQRI-JOCHJYFZSA-N 437.585 0.500 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1838739520 WKFACMREJVPQJI-XJKSGUPXSA-N 429.246 0.647 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839142111 FDIQMKLTWAJIIE-UZLBHIALSA-N 429.945 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208562 VCRYMTOGHLFSMZ-DOMZBBRYSA-N 439.734 0.624 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839553878 DTXHSUFEWGTQBH-AUUYWEPGSA-N 440.859 0.143 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)n(C)n1 1840153474 PNIJIGVCEGIXOL-DNVCBOLYSA-N 428.917 0.306 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840153943 GGZUWAVVDFTNCN-UTKZUKDTSA-N 443.972 0.715 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840196071 NIDYXPZHCHRGKE-CZUORRHYSA-N 439.372 0.342 50 20 ICGD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840564476 ZVOGABZYHMZCDC-CRAIPNDOSA-N 434.375 0.814 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)co1 1843011436 CTHVIEODQWYJEO-UHFFFAOYSA-N 426.354 0.635 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)[C@H](F)Br)C3)cn2[nH]cnc(=O)c12 1844656528 BKMKBHCAJYRMEE-LBPRGKRZSA-N 426.246 0.839 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1846175516 DCLCXRPTXAWVBX-WDEREUQCSA-N 439.310 0.980 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728209537 FJWNILLHKATDRS-UHFFFAOYSA-N 438.531 0.939 50 20 ICGD CC(C)(C(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 731282376 OVFHCYONSJLCDX-UHFFFAOYSA-N 439.520 0.824 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cc(-c2ccccc2)on1 732054855 JNIWSYYDOMKTDE-GOSISDBHSA-N 441.488 0.816 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 733128297 HFUWKKRZHNFOSH-UHFFFAOYSA-N 446.423 0.721 50 20 ICGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117700 GLQMRUVGYGWTTJ-CYBMUJFWSA-N 426.543 0.012 50 20 ICGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 741646171 GVHRMFLAUIXMLL-UHFFFAOYSA-N 441.535 0.872 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744564243 CLCWTHJVMABKHK-UHFFFAOYSA-N 444.469 0.458 50 20 ICGD CCn1nc(C(=O)NNC(=O)COC2CN(C(=O)OC(C)(C)C)C2)c2ccccc2c1=O 748009488 QMGCJNUPIXJKBN-UHFFFAOYSA-N 445.476 0.813 50 20 ICGD N#Cc1ccc(NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1C(F)(F)F 748624136 UBDPBQNZVRTQCW-UHFFFAOYSA-N 431.352 0.691 50 20 ICGD C[C@@H](C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748828284 VZMVLRDDHCAGII-NXPHAWEXSA-N 448.426 0.851 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 749112504 YPJAJRNOPQZBAY-UHFFFAOYSA-N 445.451 0.666 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1OC 756513379 CDLKCUJTSOGZCW-MRXNPFEDSA-N 434.493 0.178 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)nc1 759731396 TZPYBYMYAZGICR-UHFFFAOYSA-N 425.492 0.691 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCS(=O)CC1 761792133 AVYQMFLVLIVSRN-UHFFFAOYSA-N 427.548 0.655 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 763439775 RSLXSSLYWUZZII-UHFFFAOYSA-N 435.524 0.705 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 763712184 NFDFKCWZWLFGSG-UHFFFAOYSA-N 434.474 0.370 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 763808825 GKOCBOXIKUETMY-UHFFFAOYSA-N 446.485 0.700 50 20 ICGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)NC(C)=O 763819207 UULCTJGAFZSMGZ-QGZVFWFLSA-N 427.461 0.625 50 20 ICGD CCc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cn2)c1 763996858 GHXAKZICWZSRNR-AWEZNQCLSA-N 446.485 0.957 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764138334 CBQSRDGGNSVFFN-UHFFFAOYSA-N 440.456 0.496 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 764230456 IQCKKSMEJCYJTD-LBPRGKRZSA-N 444.473 0.025 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccccn1 764270402 MCXVEUATYOAPKS-UHFFFAOYSA-N 440.504 0.561 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)cnc2n(C)c1=O 764334455 IDTDPPJFPFVBAF-UHFFFAOYSA-N 444.398 0.560 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COCc2ccccc2)CC1 764368471 WTAUOKHGZFGHHO-UHFFFAOYSA-N 428.493 0.843 50 20 ICGD O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NNC(=O)[C@@H]1COc2ccccc2O1 765302762 KNFIUZTWWSYCSC-SFHVURJKSA-N 446.485 0.897 50 20 ICGD CCCCN(C)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766637765 VOLHVFQJKUGXKA-UHFFFAOYSA-N 441.492 0.131 50 20 ICGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766670738 YQYSPMUSDPQIJH-UHFFFAOYSA-N 446.939 0.838 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc3c(c1)OCO3)NC(=O)CC2 768234314 SKBPORPAVOLQHE-UHFFFAOYSA-N 426.385 0.708 50 20 ICGD C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@@H]1CN(Cc2ccccc2)CCO1 770397850 QODBMZCQUXNMCW-BBRMVZONSA-N 426.481 0.985 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770979493 FPUMFRGQDYNDIL-UHFFFAOYSA-N 427.421 0.300 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H](O)Cc1ccccc1Cl 773390576 KBEPTDJPGAECQZ-LJQANCHMSA-N 444.919 0.849 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 773544902 FVLUPZSXDFWMAY-JTQLQIEISA-N 425.392 0.503 50 20 ICGD Cc1cn2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC(C)C)cn3)ccc2n1 783263067 HCNVVYMIDIDFQQ-UHFFFAOYSA-N 431.478 0.806 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 785721191 ZNQSLFSRVFYPMR-ROUUACIJSA-N 440.456 0.304 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCN3C3CC3)CC2)cc1 787442034 VKDXTEMVDSAKKA-LJQANCHMSA-N 449.577 0.076 50 20 ICGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 789586375 NEKLUGHUQXLUKB-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C1 789856896 MHTZLCPOLJDGFD-GJZGRUSLSA-N 436.534 0.737 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1cnn(-c2ccccc2)c1 790764771 XGLGAUWOMJCMDZ-UHFFFAOYSA-N 443.485 0.783 50 20 ICGD COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 792279833 OCGJOWNCRGVZPL-UHFFFAOYSA-N 445.379 0.686 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(Br)c1 793449297 AJXONMSKTBWIIE-SECBINFHSA-N 444.267 0.311 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794061226 UYQYBXOSQYDILU-UHFFFAOYSA-N 448.501 0.737 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 794578173 FUIQHUCSYXVVMG-OAHLLOKOSA-N 441.487 0.053 50 20 ICGD C[C@H]1NC(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)=NN(c2ccccc2)C1=O 794732108 VBCBKXZIBWMWEP-CYBMUJFWSA-N 430.490 0.718 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 804867735 JVUAQJTUFPHMBP-MQVJKMGUSA-N 433.509 0.488 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)nn1-c1ccc(F)cc1F 815691251 JTIXJBDKXNEVGX-LLVKDONJSA-N 444.402 0.399 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 914532024 UXGPUMMUOQZKJO-DGCLKSJQSA-N 448.339 0.483 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1C 914878442 BGQNNMGZBTWICH-UHFFFAOYSA-N 440.865 0.942 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2ccc(-n3cncn3)nc2)nc1 916395305 RQAMNEPCJGEXCJ-UHFFFAOYSA-N 431.482 0.570 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 918337708 RRWOUTLASUZNDL-UHFFFAOYSA-N 434.474 0.142 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N[C@H]1CCS(=O)(=O)C1 919887971 JUGLJTCQCTXNOI-SKDRFNHKSA-N 449.316 0.864 50 20 ICGD O=C(NNC(=O)c1n[nH]c(-c2ccccc2)c1Br)N[C@@H]1CCS(=O)(=O)C1 920851987 SHUNDOSAQPBARV-SNVBAGLBSA-N 442.295 0.970 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)nc2ccccc21 921302211 VELUNITZBGARQE-FRIZHTMISA-N 430.534 0.989 50 20 ICGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)n1cccn1 1318668011 OOLFQABPVFOKRH-AWEZNQCLSA-N 436.513 0.697 50 20 ICGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1328684950 CXCRXVNTUWUINS-HNNXBMFYSA-N 426.562 0.600 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781098807 NONCMSLBRZOKBA-RLFYNMQTSA-N 431.375 0.236 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1781227884 FRBFBKQWLPCFCV-MSOLQXFVSA-N 444.319 0.306 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783350721 APJULHAXJQSGOX-DIFFPNOSSA-N 440.298 0.193 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783595735 ZEXHINJWISVFMY-HSZRJFAPSA-N 440.280 0.582 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1)n1ccnn1 1783974914 WJRQZZBAJDIMGZ-YTFOTSKYSA-N 428.331 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3scnc3C3CC3)[C@H]2C1 1785789348 XKUSUWHBDHEKJM-JYJNAYRXSA-N 449.577 0.987 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645171 SIGYCEJMCUTGLG-CYDGBPFRSA-N 425.345 0.042 50 20 ICGD Cc1scc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1C 1786984475 KEGXTYPSSZEYGE-QRFRQXIXSA-N 442.346 0.952 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736772 JQJJYEDXSMYSAX-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD COc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798440847 ZLLROJRHPRIJRV-MUJYYYPQSA-N 438.488 0.583 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)CBr)C3)c(=O)nc1O 1804087225 CLHKQVKUIFMRLZ-RUZUBIRVSA-N 441.326 0.927 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804415374 LIHVLCIQGXOHDR-JLJPHGGASA-N 436.856 0.492 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360355 RSJPGTOYPSKHSN-QKYXUNIQSA-N 425.294 0.364 50 20 ICGD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815361073 VZJFJTJOROGXBA-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCO2)[nH]n1)c1cccc(B(O)O)c1 1817474685 GIBAJKVGEGPYKL-QZTJIDSGSA-N 426.282 0.965 50 20 ICGD Cc1noc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1817565057 HVQFJOOQXONFQJ-INIZCTEOSA-N 438.253 0.330 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820953937 QYEZVYZEXUAKOL-SJORKVTESA-N 439.281 0.016 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](O)CC2)n[nH]1 1822541134 OEDACSQNFSUIJZ-FNHZYXHNSA-N 440.309 0.947 50 20 ICGD C[C@@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1822859397 CDUGKSNYKFODPQ-ZKANADHPSA-N 448.332 0.843 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827048833 AFOMZDWDAWLRHX-UWJYYQICSA-N 426.322 0.638 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055578 DIPKHMZINNIHFX-RTWAWAEBSA-N 443.353 0.514 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1829104443 XZMUQQQJBUMRGD-LJQANCHMSA-N 443.661 0.744 50 20 ICGD COc1cc(C)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733841 VHOKVGXFYYEDRP-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831651952 VCMHROYTDGSKET-JDSYDOCNSA-N 427.929 0.685 50 20 ICGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CCC1=O 1832370218 GPGIABWZTKFKKI-LJQANCHMSA-N 428.917 0.316 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccns3)CC2)CC1)c1cccc(B(O)O)c1 1834799841 HGMVQXUTYICUGQ-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819599 WNMYAGPHRZPVEK-QGZVFWFLSA-N 429.315 0.433 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838767317 BOKAUAGPVZGDFA-CYBMUJFWSA-N 446.213 0.697 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839463496 WIOTZSSRJBKJKI-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839995367 NSUGGMCJFHGVBA-ABGJEJFVSA-N 438.908 0.765 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840033853 SKOGFOJLJOERIV-UGWGGBLTSA-N 442.310 0.938 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840149508 RJDAOELSULZVHE-KDOFPFPSSA-N 448.303 0.764 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385927 ZGCTZLMGFIVQIZ-QFBILLFUSA-N 428.917 0.374 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 10159883 BVBHMNJHFGABFA-UHFFFAOYSA-N 443.485 0.744 50 20 ICGD CC[C@@H](OC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 109333747 PAHBAWSOLTWMNZ-OAHLLOKOSA-N 442.476 0.000 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 728945290 ZJPWFUGBZLDBPI-UHFFFAOYSA-N 444.492 0.731 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNC(=O)c1c(F)cccc1F 732994219 JZOGQHHHKVKXNM-UHFFFAOYSA-N 425.417 0.517 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 741207788 QYRBFISCBZJJAC-IBGZPJMESA-N 446.529 0.599 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(Cl)cc2O)C(=O)C1 741279415 SGIBDXHPIYITCO-UHFFFAOYSA-N 426.857 0.886 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744565690 MZRRDWWOCSEYJJ-UHFFFAOYSA-N 444.469 0.458 50 20 ICGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2)c1 748662877 XVOJDMKUMUBRBT-CYBMUJFWSA-N 431.449 0.636 50 20 ICGD Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 751263636 NEYRTNUVDAKCRH-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 754674773 IANVGPHCRKSTHZ-CGTJXYLNSA-N 436.534 0.904 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 755988949 OVDUPXQNAXCLEK-UHFFFAOYSA-N 425.405 0.558 50 20 ICGD CC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCO1 756736139 BNBUCDHRJJVZIW-CVEARBPZSA-N 426.543 0.601 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 758031491 WGEOOWZXLOLXKA-RLAWYHOSSA-N 432.543 0.640 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnc(-c3ccccc3)n2)c1 761196622 ITKGDCUWVXJBML-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c(C)c1S(=O)(=O)NC1CC1 763527410 JKPPMDCSLDEBFD-UHFFFAOYSA-N 446.485 0.849 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 763530232 UEJRVXIIBVFJRJ-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)c1 763821632 VMXBMLCJULMAAN-CQSZACIVSA-N 441.444 0.029 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1OC 763913042 XBCPYWANIGDNEY-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764202260 ATSVVZIYBWQKRR-UHFFFAOYSA-N 435.481 0.745 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)o1 765596275 IJSHBSIYEJZLLR-UHFFFAOYSA-N 449.445 0.670 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 768240723 ZZZZYMHUXFLVHT-UHFFFAOYSA-N 426.429 0.917 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 768277012 QZXMFTFKJMLRQC-JTQLQIEISA-N 435.441 0.077 50 20 ICGD CSCCNC(=S)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 769768790 GFSJBNPZDPJHFA-UHFFFAOYSA-N 441.604 0.706 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC2=O)c1 778436347 HVHHQSWDANNZEF-LBPRGKRZSA-N 436.465 0.729 50 20 ICGD CCNC(=O)N(C)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 780709403 LYGBZDRPPCQEOS-UHFFFAOYSA-N 439.494 0.462 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2ccc(Br)cn2)c1=O 784340466 RATVHYISZSDQHD-UHFFFAOYSA-N 438.238 0.651 50 20 ICGD O=C(NNc1cccnc1Cl)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784843352 IAGNDNMLRWJDHB-MRXNPFEDSA-N 445.863 0.831 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 786414401 NYQPQWMZWXTJJO-GFCCVEGCSA-N 445.432 0.353 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc([C@@H]3CCCO3)nn2C)c1 788727389 UJAUTEOVCBJSIC-HNNXBMFYSA-N 436.494 0.988 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 790953130 WSGHCMMRCRVVCC-UHFFFAOYSA-N 441.282 0.808 50 20 ICGD NC(=O)c1ccccc1CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 792017069 XECVSXXLSZMUJJ-UHFFFAOYSA-N 444.513 0.964 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794599012 RZWMZQATTCXCPQ-UHFFFAOYSA-N 448.501 0.601 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1OC(C)C 799261348 ZEXKVVRRWLQRIO-SFHVURJKSA-N 427.479 0.397 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 799473068 XVVIHHHBQSBWTA-CYBMUJFWSA-N 446.551 0.661 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 803283800 XJAHMJMATZJWGT-UHFFFAOYSA-N 440.522 0.965 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)[C@H]1CCS(=O)(=O)C1 808043927 KSADXUJEYLIBFN-AWEZNQCLSA-N 428.532 0.745 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 812727031 DMTFTWJQXUMUCQ-UHFFFAOYSA-N 428.474 0.978 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)c2)CCN1 812979402 ROAVYIUVTCUNFV-UHFFFAOYSA-N 445.863 0.377 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c(N2CCOCC2)n1 874084256 DTPIRUVIFMYUGV-UHFFFAOYSA-N 428.844 0.288 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CN2CCCS2(=O)=O)cc(OCC)c1OCC 915874553 NCDKZQBUYWABKS-UHFFFAOYSA-N 429.495 0.679 50 20 ICGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2cnn(Cc3cccs3)c2n1 919888956 IPGMYNKVIDYCDD-GFCCVEGCSA-N 448.530 0.981 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 920274611 URAVFTDYWPKEGJ-NSHDSACASA-N 444.448 0.308 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 933892480 OIEDCZHQTCHVNV-MRXNPFEDSA-N 425.445 0.732 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)N[C@@H]1CCS(=O)(=O)C1 1318386993 JWEDSMMKTTXFAN-MRVPVSSYSA-N 448.839 0.989 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(C)(=O)=O)cc1 1319199411 ZLSCWHGPVKLJIZ-UHFFFAOYSA-N 439.515 0.709 50 20 ICGD O=C(c1cn2cccnc2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778477969 AUUUFDGIILJFJT-LRDDRELGSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778567022 UKXIEGIVHZWZEP-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779028551 MTVVOZLBHZXNIZ-HXUWFJFHSA-N 429.502 0.812 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780774585 DUQNLLTYBNRNPN-HSTIPLNKSA-N 434.306 0.882 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781048607 VWJSVGIBVKGMAX-YFOLIPHBSA-N 446.454 0.424 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1781219091 VHQCSLLXOBCMSR-LIRRHRJNSA-N 440.953 0.739 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1781900567 NDKNZGUMJZQTLR-CKEIUWERSA-N 428.331 0.966 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1784056595 AJSNIBLUDAWQKD-QHCPKHFHSA-N 440.280 0.500 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784386822 KFYTYKBPKBXVOC-IAQYHMDHSA-N 432.344 0.758 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 1784730010 VQBCRYVDBMCVFN-JTPBLVHTSA-N 426.322 0.780 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793109730 FJGHTGPLDCIIFX-XFIYOXNOSA-N 445.944 0.860 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794385798 PNGHBHYTXYFGTJ-ZHZXCYKASA-N 438.912 0.885 50 20 ICGD CC(=O)O[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)C 1798274139 LEKWMYKIKMQIGT-KRXQYRFLSA-N 431.493 0.525 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012527 NFLSSWRBKMIGSZ-VTEUUUEMSA-N 438.475 0.849 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)[C@H](O)CCl 1801384573 SEXXXIXXLXCKMS-APNJTCTJSA-N 435.952 0.860 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)[nH]1 1807362791 MEUQVRGHTSLYKY-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD CCc1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1807374064 GEEXUEQICDPADM-UWJYYQICSA-N 448.288 0.945 50 20 ICGD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n(C)n1 1808340067 KNAOTKRRAYNYPW-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD CCc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1811010768 QAGKFLAKKQNDNL-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813009336 MBYCNMOLSWNMQO-ZRCAFCQKSA-N 437.305 0.696 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815053410 JYMPDANDXGEELK-UTLUCORTSA-N 446.371 0.679 50 20 ICGD CN1CCCC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335503 BACCEVUUUHOATP-RDJZCZTQSA-N 442.350 0.533 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)c1ccc(B(O)O)cc1 1815348580 QFCGZCFTOXVBIQ-HWMZRRJGSA-N 441.318 0.616 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361535 IXEXFSBWTXGRJD-QWHCGFSZSA-N 437.714 0.303 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479429 MQWYIJHZRITIQO-GOEBONIOSA-N 434.689 0.649 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc[nH]1)CC2 1819794859 FSKMTRWCCXOBOZ-SECBINFHSA-N 426.462 0.404 50 20 ICGD O=C(CCn1ccnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822809766 OMEKHDNHWBQOEQ-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CC2 1825162847 DPRANKGKWFIBOT-LPUHGPTISA-N 445.505 0.325 50 20 ICGD Cn1nncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050695 USFPGDAQDWHCHR-GOSISDBHSA-N 425.298 0.042 50 20 ICGD O=C([C@H](O)c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055630 GGQSKHXGFMVKNN-TZIWHRDSSA-N 440.305 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSCC(=O)O)CC1 1831874372 HUZRFVRMODDWLR-INIZCTEOSA-N 442.582 0.797 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370173 FCYVOXBRGPOUSQ-IFXJQAMLSA-N 428.917 0.459 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832668099 QDLZFUKLARTPPU-YVEFUNNKSA-N 429.267 0.702 50 20 ICGD O=C(Cc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833125164 OFNDFWFCWWSGFH-GDBMZVCRSA-N 431.262 0.166 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883590 QAPWQWWIBHEEGM-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1834823347 PGWAJHOKTSFRDA-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835168803 FBVSRLLSUUEVRL-HKUYNNGSSA-N 428.844 0.949 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)o1 1836028820 PDGCDPZIQIQGTC-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C3CCOCC3)CC2)CC1 1837752462 PKJQCWFEDMSGAA-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)c1ccco1 1839198393 CZLGWMAOLGWFAV-XJKSGUPXSA-N 433.230 0.609 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198466 DXPZNNRODDDLMV-QCQGSNGOSA-N 425.295 0.540 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839967462 MZYFZXDKNYBANO-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840151685 LEMAVARHBMDIGQ-JXFKEZNVSA-N 436.896 0.838 50 20 ICGD Cc1cc(C)nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840184105 SIGZSCIVPYFKNL-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233601 NOWXLFAQJLGZPH-DEYYWGMASA-N 446.342 0.143 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840341982 OUOZTUPBGGLXIE-IMLGJKEDSA-N 427.299 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn(-c3cccnc3)c2)C1 1842268119 PROXICUUZXQGGR-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1 1842342568 GZVVNQZGMBJKDY-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3cccnc3n1)C2 1844264393 NHIKTIUYBOMBTL-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844359675 JFAIGSIIVFYTJU-CXQBGCSHSA-N 430.509 0.629 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1846384778 HCTHDHRUJQJKFZ-UHFFFAOYSA-N 442.520 0.067 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1=Cc3ccccc3NC(=O)C1)C2 1846385280 LXWAFNRTMRBBMA-UHFFFAOYSA-N 439.516 0.989 50 20 ICGD O=C(COc1ccc(I)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785922 BYYILSWLDYIDMB-SECBINFHSA-N 438.243 0.252 50 20 ICGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 725908414 VSDLTTRWQRTPTF-ZDUSSCGKSA-N 437.503 0.853 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=S)NCC2CCC2)CC1 727866775 YZFYKDVZURMJFT-UHFFFAOYSA-N 429.568 0.988 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)c1 728206357 JUCPHGCMIGZVDU-UHFFFAOYSA-N 435.440 0.892 50 20 ICGD CN(C)CCCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729509310 HFNWRNKARCYPMZ-UHFFFAOYSA-N 440.566 0.519 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)c2ccccc2C)c1 730021857 PMZRXYUYJVZBTD-ZDUSSCGKSA-N 433.490 0.874 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 730812226 LVCFRGGIGKYLFN-UHFFFAOYSA-N 435.458 0.253 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C3CCC3)CC2)o1 732140616 GEYJZUQWAZFBDF-UHFFFAOYSA-N 427.479 0.805 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732473798 BLMIDDYGOWEOTD-CQSZACIVSA-N 444.510 0.136 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1c(C)c(C)sc1=O 734418833 IHNZAWZSZHQSCV-UHFFFAOYSA-N 425.536 0.979 50 20 ICGD O=C(Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1)NNC(=O)c1cccs1 735233229 MXPZWLNCPPEUDF-HNNXBMFYSA-N 427.490 0.769 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cn1 735511637 YRIQMJZHLYRPBX-MRXNPFEDSA-N 430.465 0.238 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(O)c(F)c3)nc2)CC1 739058044 BPNLGGRUYGPQMT-UHFFFAOYSA-N 438.485 0.689 50 20 ICGD O=C(NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-n2cnnn2)cc1 742035475 NEKKOEOLOLJOTR-GOSISDBHSA-N 425.424 0.636 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 743829597 XGVFVAIEOOVJIK-UHFFFAOYSA-N 440.503 0.523 50 20 ICGD O=C(NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)c1ccc[nH]1 747663034 IDEDSRGNWPZFLJ-UHFFFAOYSA-N 445.457 0.364 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)N2CCOCC2)cc1OC 748445626 COFABBXMBHELFK-MRXNPFEDSA-N 449.508 0.030 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)n1 752855859 BPLCSMOQRZKHEX-UHFFFAOYSA-N 430.442 0.371 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnc2[nH]nnc2c1 755517619 PJXLUXLMEYOAEF-UHFFFAOYSA-N 428.884 0.585 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)cc1OC 756489325 RAUWGIOITYINOW-UHFFFAOYSA-N 447.536 0.095 50 20 ICGD CCc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O 756525447 OUAKBUKBLMSSCH-UHFFFAOYSA-N 447.521 0.756 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NNC(=O)c1cccc(C#N)c1)CC2 756602445 VFSKCENPHOJNHW-UHFFFAOYSA-N 427.486 0.680 50 20 ICGD NC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 757700004 NSRRBBBXULLWLG-UHFFFAOYSA-N 432.462 0.432 50 20 ICGD CCCCCCn1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2c1=O 758059005 ZHAPOIHNPDKGBJ-CYBMUJFWSA-N 437.522 0.676 50 20 ICGD CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535406 OCFFERAIZMJVPJ-NSHDSACASA-N 430.390 0.461 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)C(=O)Nc1ccccn1 758838661 FETNSIHWOZLSNE-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1 760193187 DALXEZLSGDUCJH-UHFFFAOYSA-N 425.385 0.557 50 20 ICGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)C(=O)Nc2ccccn2)c2ccccc21 760433303 PUZPAIYTELHGDG-OAQYLSRUSA-N 425.445 0.243 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763656209 ABKVLTAHMOWJMM-UHFFFAOYSA-N 430.417 0.445 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763746512 ZJXHZTCXMJAFPG-UHFFFAOYSA-N 445.501 0.133 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 763824983 SWKJTEDKNGCRLR-CMDGGOBGSA-N 435.484 0.911 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)c1C 763852628 XCJDUFWTBQFKPD-AWEZNQCLSA-N 428.445 0.721 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)cc1OC 763900383 IVGIEDCLBQORLK-UHFFFAOYSA-N 428.445 0.782 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764236021 UTROEAHDGAVLNF-UHFFFAOYSA-N 441.469 0.764 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 764287296 ZCUNGRRJSZUOAS-UHFFFAOYSA-N 430.417 0.472 50 20 ICGD CCCCNc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764753314 VRBWCUANCIOJOR-UHFFFAOYSA-N 427.465 0.107 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 765795284 AJBPQLKGMGIIGT-UHFFFAOYSA-N 440.494 0.981 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518858 HGEOFZIJLPGYJF-CYBMUJFWSA-N 441.410 0.759 50 20 ICGD CNC(=O)C1CN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 768654444 WZTPPKJQCDGGII-OQLLNIDSSA-N 436.472 0.545 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cn1 770531765 PBNSTEVSJAVLEA-GFCCVEGCSA-N 438.872 0.919 50 20 ICGD C[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 772884347 JGCUEOXLQBCXTE-TUKIKUTGSA-N 434.880 0.667 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)nn1 773493585 DPTLFFDYRDIFEV-UHFFFAOYSA-N 434.416 0.316 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1cnc3ccccc3n1)CC2 773719582 WOIUZQBLFYAULM-UHFFFAOYSA-N 426.458 0.570 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COC3(CCCC3)O2)c1 774310429 FCPSBGVFYLWTER-AWEZNQCLSA-N 426.495 0.567 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 780366717 XCXBGACNZLWIKP-CQSZACIVSA-N 441.487 0.086 50 20 ICGD CCCn1nccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784229177 AJGQSXVBKQOSJG-UHFFFAOYSA-N 449.537 0.311 50 20 ICGD CN(C)c1nccc(NNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 784970348 GTKWMSGFLRGCSO-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD O=C(NNC(=O)c1cc(Cn2cccn2)on1)c1cccc(S(=O)(=O)N2CCCC2)c1 794195474 IRIVLUIUQDUFBX-UHFFFAOYSA-N 444.473 0.779 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 797538142 GXNZVTBDUIWOLH-UHFFFAOYSA-N 443.416 0.845 50 20 ICGD CC(C)(C)OC(=O)c1cnc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 801893544 RVRPGMUKZDLZIL-UHFFFAOYSA-N 425.401 0.922 50 20 ICGD NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 807605965 UJPVGHMGUDBGPV-UHFFFAOYSA-N 435.462 0.091 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)CC(C)(C)C(=O)OC)c1 808068293 SGVFBINZVAIUCD-UHFFFAOYSA-N 449.551 0.481 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1C 820255464 KNTCZNBEDCHOAO-ATVHPVEESA-N 442.563 0.928 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@H](B(O)O)C1)n2C 864232792 CKCSEHAMLBKLIS-AWEZNQCLSA-N 436.343 0.612 50 20 ICGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)[C@@H]1COc2ccccc2O1 864237452 XZPSKWWWTVXFOO-SFHVURJKSA-N 435.440 0.821 50 20 ICGD COc1ccc2c(c1)C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CO2 914828333 NSQGBWLFHKFKPU-LIRRHRJNSA-N 442.424 0.777 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCc4c3cnn4C)nc2)CC1 916604191 DGHRSUHVKCQKCP-MRXNPFEDSA-N 448.553 0.455 50 20 ICGD COc1ccc(CSCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 919885751 NKZDAJUNVPRNKC-LLVKDONJSA-N 432.480 0.354 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 1319235995 FNHFIJKXUONKOU-UHFFFAOYSA-N 437.500 0.868 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnccc1F 1777751566 GBIJWIBQKKUROO-DENIHFKCSA-N 441.268 0.342 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782636904 VRIJZTKUZAJXBI-ZBFHGGJFSA-N 431.262 0.635 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783924607 TXEQCTFNSWFONZ-OAUYIBNBSA-N 435.315 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sccc3F)[C@H]2C1 1784747163 GJCFGFGHIKNVQU-YDHLFZDLSA-N 426.514 0.854 50 20 ICGD Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)cccc1=O 1785870828 DOJQRMGSUVJCHK-TZQJONAQSA-N 430.274 0.669 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788511919 ONOIJOYWIGANPM-INBFJEQOSA-N 432.334 0.997 50 20 ICGD CN1CCN(CC(=O)Nc2ccc(C3(NC(=O)CCC(=O)NN(C)C)CCC3)cc2)CC1 1789184468 DQHRXNDOUYXDRO-UHFFFAOYSA-N 444.580 0.741 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795732979 UAWMIBYUFLCOAZ-PIKOESSRSA-N 426.253 0.280 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796422488 JHRUSWLHOJVDGE-KYTCRMMBSA-N 430.958 0.786 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800891633 JBYFWDPGJPUEDR-ZJOBFFGXSA-N 430.343 0.620 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1800979331 ACLDFMRMEWTECG-ZMMAXQRCSA-N 436.940 0.227 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(c1)CCNCC2)c1cccc(B(O)O)c1 1801308771 NAGLFRJWFKMTSF-WKCHPHFGSA-N 448.332 0.015 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1ccco1 1803139137 UCEOIBLOGYWSBM-VKJFTORMSA-N 434.880 0.710 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803141673 SMEANMCBCMDVNS-SQGPQFPESA-N 442.907 0.973 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804089877 MSQQAXUDZIESGV-DNVCBOLYSA-N 447.568 0.491 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)[C@@H](F)Br)CC3)C2)N1 1806848103 ASMZEXQSZGQYJU-CMPLNLGQSA-N 433.278 0.506 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)COC1 1807363913 DGMNWYQYCRNYRZ-QUCCMNQESA-N 437.305 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371063 PANJNYGHXIAEOY-NFBKMPQASA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCS2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374113 IQLXARCLHFMLQJ-DFQSSKMNSA-N 439.346 0.977 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)o1 1813071052 MIJKSIBIWIURLO-KKSFZXQISA-N 443.508 0.395 50 20 ICGD O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1815768429 RBUZNBATGFMHPH-MNOVXSKESA-N 441.286 0.785 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cccn1 1817475444 PJFPTQCBDWQWEY-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1818107272 IIXONLLPLUUSOP-KGLIPLIRSA-N 447.945 0.427 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1826634315 IHQSFYLRLDUWNB-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831870628 GKGGOTHNMRXMHA-IBGZPJMESA-N 437.585 0.848 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834418125 GEKWRTBCCMXKLT-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837169984 ZDEXNZJTDPNBFH-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837701076 BNJBRECFAPLRBW-BVGQSLNGSA-N 436.336 0.370 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cccnn3)CC2)CC1 1837921114 BDNRZFILWJWZOC-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839317544 IONMHARIVFGRFK-BEFAXECRSA-N 430.860 0.855 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839980955 VBUNFMACQYEADA-BEFAXECRSA-N 432.851 0.563 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840029447 DRIDXDCCGDTLON-QEORTHHSSA-N 431.283 0.553 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840034187 CRVFOLQRYVMSPJ-BDJLRTHQSA-N 449.733 0.927 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1840155997 HAWMIFRRAFCRNG-QOKNQOGYSA-N 428.917 0.463 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)(C)C 1840186463 IMUYXFSPKMXSFA-SCLBCKFNSA-N 438.352 0.797 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC=CCC1)CCO2 1840558245 SHYXCNLOZQVOIG-YADHBBJMSA-N 436.553 0.562 50 20 ICGD CCCNC(=O)CCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841538030 TUYXTDKZOCDHSE-BUVRLJJBSA-N 430.509 0.630 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557914 FPSRBHIWEJXFOL-YYFQZIEXSA-N 431.917 0.158 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@@H]1O 1847598623 UWHJSVGQSLOILN-CMOCDZPBSA-N 434.301 0.478 50 20 ICGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728210616 QYTKGEHYXORKNM-UHFFFAOYSA-N 435.506 0.825 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)n(C)c2n(C)c1=O 728972860 UCIBFZOPAKAVLL-UHFFFAOYSA-N 441.416 0.329 50 20 ICGD CC(C)NC(=O)CCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 729534565 RKVHCFZEVXDBCY-UHFFFAOYSA-N 425.555 0.761 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 732260563 GCFBAKPJKXPJPM-STQMWFEESA-N 431.453 0.744 50 20 ICGD Cc1cc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)n1 736712021 YVMJMODXBSFVLK-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD O=C(NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)N[C@H]1CCS(=O)(=O)C1 739705018 CQOJMYKLWYCCBU-JTQLQIEISA-N 432.384 0.417 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCOC[C@H]1CCOC1 740904032 ZSRKKBOZOSEIPI-CQSZACIVSA-N 427.527 0.675 50 20 ICGD CS(=O)(=O)c1ccccc1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620320 JFCACZXEDDSZCR-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 744866655 NDXKLTGKYDIMRJ-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD Cc1cc(C)c(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(Cl)c1 745999216 XXILVGHLMVBZPR-UHFFFAOYSA-N 442.954 0.859 50 20 ICGD Cc1nc(C(=O)NNC(=O)NCCc2cccs2)nn1-c1n[nH]c(C(F)(F)F)n1 747367617 VXHHWEGRZGOWJR-UHFFFAOYSA-N 429.388 0.961 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 747472780 CBPYTJWAHZYMSO-LBPRGKRZSA-N 438.531 0.488 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(F)cc2Br)n(C)c1=O 748075296 NDNMPWXGXNWXRT-UHFFFAOYSA-N 425.218 0.479 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Br 748247523 QTHFFYSYIHBDHS-UHFFFAOYSA-N 447.311 0.083 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C[C@@H](C)O1 751427234 ZLZYLGBRYARNIX-KFWWJZLASA-N 438.550 0.658 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1O)OCO2 753840251 IEZHSLYGAZDBQR-UHFFFAOYSA-N 435.776 0.961 50 20 ICGD COCCOCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 754739955 HQEDOKHCLLDMBR-UHFFFAOYSA-N 449.551 0.088 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 755083533 DCZVWNLMTZSPAP-INIZCTEOSA-N 427.509 0.626 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 755248909 YECCUWJYUAJLGS-PYTWLRIVSA-N 426.477 0.895 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccn1 762529566 RRDZVJLXYOOFOI-UHFFFAOYSA-N 449.537 0.459 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1 763666287 XTOSZGNHHJSPJO-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763870699 BLDJRDGLVNDIJH-ZDUSSCGKSA-N 443.435 0.315 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cc1S(=O)(=O)NC1CC1 764188150 OPDMNPFSLYYIFZ-UHFFFAOYSA-N 438.506 0.802 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275690 QJBUSIJQRSOJGR-UHFFFAOYSA-N 425.401 0.757 50 20 ICGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)ccc1F 764278642 UZPYNKFLXDKAJN-UHFFFAOYSA-N 439.197 0.792 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ncccc1C 764386206 TXGIKRAJEXXBNU-UHFFFAOYSA-N 441.444 0.413 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764405634 VAOYAWBNYFUTOV-UHFFFAOYSA-N 445.501 0.810 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765118377 CAICQNVCRDCUGB-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncccc3C)CC2)cc1 765727242 GOZKAADWCZMVTG-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN(C)S(=O)(=O)c1ccccc1 767281614 BWIJTURWWAPPTI-UHFFFAOYSA-N 433.486 0.549 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)ccnc12 769842338 LULXGBAXXLXECP-UHFFFAOYSA-N 436.384 0.396 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 771143142 JISWWRVRXJTYFT-UHFFFAOYSA-N 428.236 0.815 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc([S@](C)=O)c2)CC1 771734923 KHGSICBBYHCNLI-NDEPHWFRSA-N 437.547 0.512 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cc1 773651182 PNOKVAVGWJGYCN-UHFFFAOYSA-N 429.389 0.970 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 780943596 LZHCYNQKUKEMKG-AWEZNQCLSA-N 435.481 0.852 50 20 ICGD O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784829671 WLUBRWLUJQTBDX-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 784831947 UDAIZDILVUXZDQ-UHFFFAOYSA-N 443.416 0.914 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(N2CCOCC2)cc1 785024521 VRXHVSRZJJVLKW-UHFFFAOYSA-N 429.389 0.537 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785067182 IFTDEHUXOKBGHC-UHFFFAOYSA-N 447.459 0.897 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 786128416 LTRNLIAUCXPXKK-CYBMUJFWSA-N 444.510 0.684 50 20 ICGD O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(Cl)c1 789841883 SGPOLWFUCDOBHX-UHFFFAOYSA-N 434.792 0.982 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2 792924638 ZHJBJYCUBMSEIS-UHFFFAOYSA-N 447.473 0.322 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)N[C@@H]1CCS(=O)(=O)C1 793382767 URTLDQPSEQOPGK-SSDOTTSWSA-N 435.377 0.404 50 20 ICGD CC(C)c1ncc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 796992063 LHOCJOJNCJVWJA-UHFFFAOYSA-N 439.520 0.898 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNS(=O)(=O)c2cccs2)cc1 802066907 DJSKAWOLGJUUOW-UHFFFAOYSA-N 432.505 0.283 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 802567513 XBQRSVZFFNIFOQ-ZDUSSCGKSA-N 433.490 0.004 50 20 ICGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 887561297 CZSCWPJZIFHDPT-SFHVURJKSA-N 437.566 0.160 50 20 ICGD CN(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)C1 913125884 BFYNYZLYMJLTCV-DGCLKSJQSA-N 428.442 0.579 50 20 ICGD O=C(NCCc1cccs1)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 920832799 AEHBKZGZHBBBQE-UHFFFAOYSA-N 438.531 0.956 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCC[C@@H]3N(C)C)nc2)CC1 1318464997 NQCDVQLBPSYRIN-SJORKVTESA-N 439.586 0.517 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778981902 CAIYDFUKKUZPCD-RCQWNHEVSA-N 429.477 0.643 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1779300023 KQZGAWXUNYCTMD-HXUWFJFHSA-N 431.569 0.953 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1783935664 WLAYIKJQNSMKLE-HXUWFJFHSA-N 442.438 0.920 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1784617293 CVOLMDZAZNLZQC-JCECYMMASA-N 446.928 0.868 50 20 ICGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)n[nH]1 1785840554 BTSVCOKLZYRJHU-OXUWNYNTSA-N 427.299 0.989 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507059 VVFBREVGYHQOAP-JVGJSBIGSA-N 447.536 0.507 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788524318 MLDBUWNPBKYCHR-NRDMVMEKSA-N 426.322 0.728 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)c(=O)[nH]c1C 1789922581 PMXAMTPKXGDKRP-ZJQBRPOHSA-N 445.289 0.671 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(NC(C)=O)n3)C[C@@H]21 1791252105 BUEAUZVRLFVITG-JKQORVJESA-N 438.912 0.887 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1792870819 WCGIIBFGDCGCNI-FMSGJZPZSA-N 429.315 0.975 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(-c3ccccn3)nc1)C2)[C@@H](O)CCl 1792974996 GKUIEBGEMUWFQR-FSDCSDTHSA-N 431.880 0.342 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccs1 1794394711 IFPGPNZUFMWQSO-QDMKHBRRSA-N 435.550 0.489 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796348805 XQVIDZDBPKOEOA-GUDRVLHUSA-N 427.242 0.717 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccc1)C2 1796446316 RYCBKWGDDTWXNH-FSWGRJFZSA-N 440.504 0.773 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)sc1C 1798407526 GBCWLLPRGUWVEI-YWVIFJGQSA-N 444.517 0.275 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(Cl)cn1)C2 1798439186 MWAABFSOIZDEBS-BTTYYORXSA-N 431.884 0.487 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368578 VQDOYTVBEXBWOX-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972664 MAJODGVNXZZRAC-UHFFFAOYSA-N 437.305 0.433 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n[nH]1 1810423261 YRJQTESKTGMFER-XMSQKQJNSA-N 447.304 0.355 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1813071814 XXODQKLCLZWKJQ-LAUBAEHRSA-N 440.504 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CCCS1 1813612130 QXAQUMUAUJPAMZ-IHPCNDPISA-N 439.346 0.977 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C2(F)CCC2)[C@@H]1c1cccnc1 1813683358 UGWCRGBROREKKT-HKUYNNGSSA-N 425.269 0.973 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814854988 YYQIUXGBBHOYMN-XMZIXOGTSA-N 445.549 0.741 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817310214 OPFHOSPSUXERAR-WCQYABFASA-N 438.554 0.295 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1820723672 PXBWWYKKWKROCH-VQIMIIECSA-N 439.325 0.737 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)Br)n[nH]2)C(=O)N1 1820932246 ZPGQLSNUEBUBON-ZANVPECISA-N 445.249 0.644 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1ccnn1 1826089650 JZFCCHUEWVNJAM-NEPJUHHUSA-N 434.526 0.281 50 20 ICGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCBr)CC1)C(=O)C(=O)O 1826359395 BTJRLFVQQZNMBI-AWEZNQCLSA-N 446.342 0.934 50 20 ICGD CC(C)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054849 MYTKBXLSVHQOMM-OAQYLSRUSA-N 429.370 0.988 50 20 ICGD C/C(=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)C(=O)O 1828078126 RURPUTPRKJCBHT-SZNGSJQDSA-N 429.263 0.080 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829557898 UMILACJZIDQBFE-GUYCJALGSA-N 434.276 0.110 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1830242052 QONIMTDJBFIUQZ-YTQUADARSA-N 429.005 0.842 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccn12 1830727996 MQRVKARXNWXBQH-QRWLVFNGSA-N 436.896 0.312 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831656581 GOJKEUHDFAOUSZ-WBMJQRKESA-N 443.850 0.529 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)no1 1832930697 MVISFNLDRZTLSI-MEDUHNTESA-N 431.287 0.160 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162208 NJTLYSGOWYPJSW-KSSFIOAISA-N 441.326 0.507 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)COC(C)(C)C)CC2)CC1 1833675887 MPHMESNRWIGLSD-UHFFFAOYSA-N 439.601 0.746 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823934 NPSCBKOMMSIUMP-SFHVURJKSA-N 443.342 0.810 50 20 ICGD CO[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1835277429 BSIIQJFCSJUGNH-ZWOKBUDYSA-N 426.897 0.430 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1836071620 REYWXHLJZUIGJQ-SFHVURJKSA-N 426.546 0.228 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193871 NYIMVTQYCZAPJC-KSSFIOAISA-N 426.311 0.864 50 20 ICGD O=C(COc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836719463 SWCMJTFAZSFJBS-OAHLLOKOSA-N 442.900 0.159 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1C[C@H]2C[C@@H]2C1 1837286141 AHFUHJNNSLFWTM-ZURLZEQWSA-N 448.333 0.474 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837716019 XQNVKLJCOYLCPX-HNAYVOBHSA-N 446.573 0.856 50 20 ICGD O=C(CN(CCO)CCO)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838760941 MDPYPRMFWIOOGB-UHFFFAOYSA-N 440.368 0.075 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838766693 ZMCZDONMYGIUTL-GXFFZTMASA-N 429.758 0.428 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839073815 WNKSRCRODKUQDT-ACJLOTCBSA-N 437.896 0.890 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccnc1 1839199140 QLUONVMQJMZVQC-DVOMOZLQSA-N 433.278 0.591 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201182 YUQUZNMEZBNSLX-BBRMVZONSA-N 431.262 0.546 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201185 YUQUZNMEZBNSLX-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722609 BXIIPEVPHVIQOA-WMLDXEAASA-N 429.315 0.582 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050590 OELWWIQATCUMOH-GODIYZJISA-N 435.290 0.701 50 20 ICGD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1C(F)(F)F 1843011232 HKMAQUIHQSSFCK-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CN(C)c1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012711 MPSIAMOQPQSAHK-UHFFFAOYSA-N 435.333 0.882 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2n1 1843694888 IFLLZVVQXIYMIV-UHFFFAOYSA-N 433.277 0.157 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C(F)F 1844784735 IMVUOSMRIBEZAZ-UHFFFAOYSA-N 433.419 0.716 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)COc1ccccc1C#N 10258969 VJRRFPBMWITNAA-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 23712852 MUJUFSLCXZRPFO-UHFFFAOYSA-N 439.446 0.443 50 20 ICGD O=C(COC(=O)c1cn(Cc2ccccc2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 728322375 RUTODPBCUDWFRU-GOSISDBHSA-N 437.412 0.471 50 20 ICGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)c3ccccc3O)ncnc1-2 729624780 ANZIGXBINOLNLR-UHFFFAOYSA-N 449.269 0.261 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2scnc2C)cc1 729691620 IMNMZRTYTYFAIR-UHFFFAOYSA-N 425.492 0.540 50 20 ICGD CC(=NNC(=O)Cn1nc(C)cc1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816126 DEXFMDLESFQNNT-UHFFFAOYSA-N 441.535 0.766 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2c(F)cccc2Cl)n1 731082680 VDXCUNKLWPUCAS-UHFFFAOYSA-N 442.856 0.907 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)cc1 731499010 FZPUZRKCOUBDAD-UHFFFAOYSA-N 440.522 0.957 50 20 ICGD Cn1c(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc2ccccc2c1=O 733263476 DKENDBLGWYULLG-UHFFFAOYSA-N 433.446 0.304 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc3c2OCCO3)CC1 735117562 XMNXYDZTWPRRHY-UHFFFAOYSA-N 433.490 0.546 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc(Cl)c(C)c2)cc1 735265887 NXJNTSXGIOJJKY-UHFFFAOYSA-N 446.938 0.982 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(CCOC)C2)c1 739034332 HRKKFGVRUNAJGV-INIZCTEOSA-N 441.554 0.382 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 740851295 XYPTXNOPJNFXRV-UHFFFAOYSA-N 448.592 0.551 50 20 ICGD CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1F 741658628 CLZDLMKKYBLVCO-QGZVFWFLSA-N 429.387 0.969 50 20 ICGD O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 745992729 JBTQQRXPMCHTTM-UHFFFAOYSA-N 447.311 0.576 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)N1CCCC1 748247882 YPBGCDXUQSMHIN-XNTDXEJSSA-N 434.518 0.469 50 20 ICGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 749014306 HNAPUTVMHYLRAT-UHFFFAOYSA-N 433.396 0.802 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)o1 752781107 NHMAGOAQIAOTOU-CYBMUJFWSA-N 433.442 0.986 50 20 ICGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1 752949667 AQECAKDYAXYVCW-HNNXBMFYSA-N 429.481 0.828 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 753817408 ITJZJDFFVVPXJI-UHFFFAOYSA-N 431.584 0.494 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(I)c1 755389905 ZUJRFJVUXPQJIA-SSDOTTSWSA-N 426.236 0.382 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 755453204 JCTPKZQUIPUTGS-UHFFFAOYSA-N 429.481 0.858 50 20 ICGD Cc1cc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n([C@H]2CCS(=O)(=O)C2)n1 755534016 NPXGDFALNGSXTP-SWLSCSKDSA-N 435.462 0.544 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 757708999 MKUXXBFBMHXYQT-UHFFFAOYSA-N 437.482 0.268 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)c(Cl)c1 764001965 HZLJZVHICGNKJH-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)cc2)CCN1 764127602 XVUQEKPMAUKJPD-UHFFFAOYSA-N 431.836 0.382 50 20 ICGD CCc1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)c1 764226116 FXVONTPYBOHPEO-GFCCVEGCSA-N 449.489 0.460 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(CN2C(=O)CSC2=O)c1 764342070 CRXRCPDUXXVZSN-UHFFFAOYSA-N 427.442 0.468 50 20 ICGD O=C(NCc1ccco1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764424975 LOQWFMJEFZRTNW-HNNXBMFYSA-N 431.405 0.103 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764635000 HNVBQBWMQYMEER-LBPRGKRZSA-N 430.442 0.457 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2scnc2C)o1 765425775 AYIDULNACVKTRT-UHFFFAOYSA-N 434.459 0.959 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)n[nH]1 765603135 ZSTNNZJNJXSGHJ-UHFFFAOYSA-N 429.458 0.949 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 766649341 NYMMATNSZTZLHM-HXUWFJFHSA-N 429.565 0.765 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1C 766865283 CUTIBFDLWIDOAH-UHFFFAOYSA-N 442.607 0.575 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 769766198 RJIGZZFKYMPFAO-UHFFFAOYSA-N 432.593 0.488 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 782965620 HTLSXWDXFFYODT-UHFFFAOYSA-N 425.898 0.258 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 784004455 NQGUKRIFWLKIAL-UHFFFAOYSA-N 445.501 0.344 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 789732821 YMYWBBUQSNLZDG-NNYUYHANSA-N 426.520 0.567 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cnc1C 793368580 OZMPNNVRNZERLI-UHFFFAOYSA-N 427.460 0.203 50 20 ICGD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NNC(=O)NCC(F)(F)F)CC2)cc1 798314047 UYAJOKITEDBXEM-VOTSOKGWSA-N 429.399 0.793 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CSc1ccccc1O 801693762 CWTNADXFMGYQMU-UHFFFAOYSA-N 446.528 0.906 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 802335490 FMDYJNQNLDZNFZ-CQSZACIVSA-N 443.485 0.936 50 20 ICGD CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NNC(=O)Cc3cccnc3)C2)CC1 805068088 DQHKNBJHCBYSKS-QGZVFWFLSA-N 432.525 0.992 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810970177 HFXIWQFSGFKDGO-UHFFFAOYSA-N 436.437 0.305 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 811968738 MLKBPTCVJRMQDH-UHFFFAOYSA-N 439.453 0.564 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 813509604 ZPMKMOMCMBBKMX-INIZCTEOSA-N 448.911 0.600 50 20 ICGD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779738 SVKRTAOMFURRAF-QZTJIDSGSA-N 440.504 0.903 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)=NN1c1ccccc1 913254652 NEAZOYPTZXLNNT-INIZCTEOSA-N 443.847 0.764 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 914748024 BZMJCOZQKHMMAA-MRXNPFEDSA-N 444.513 0.816 50 20 ICGD O=C(NCc1ccnc(-n2cccn2)c1)NNC(=O)c1csc(N2CCOCC2)n1 914827842 HNESWLFDUVELHY-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)c1nnc(O)c2ccccc12 916637273 XWBWAICPCAQLGS-LJQANCHMSA-N 432.506 0.487 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 917921263 RMDLHJCJHICTBA-LBPRGKRZSA-N 443.913 0.584 50 20 ICGD C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886783 UXNXQDZHWMOPHI-SCZZXKLOSA-N 438.275 0.873 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1 921166789 QKLWHCZIWOBTQB-JKSUJKDBSA-N 427.523 0.737 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2c1=O 1251989481 DXPQAJBOYRLENQ-HNNXBMFYSA-N 442.520 0.861 50 20 ICGD Cc1ccn(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032291 INTRHHDHNTZLHU-OAQYLSRUSA-N 426.477 0.089 50 20 ICGD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)=Cc2ccccc2N1 1779984101 SCLGTXUWYFGHCC-LAUBAEHRSA-N 433.892 0.842 50 20 ICGD Cc1c(Br)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1780363339 DNRWGXGLCZEWJW-BZNIZROVSA-N 449.733 0.534 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(N(C)C)c3)C2)C1 1780643513 DVUWWCSPVNYFQV-QFIPXVFZSA-N 431.537 0.569 50 20 ICGD C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968438 LLQVSIWPGWNTHD-QFIPXVFZSA-N 429.521 0.739 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781814365 NHKPAMYWMWQBTN-BBRMVZONSA-N 433.230 0.937 50 20 ICGD CC1(C)CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1782260881 PJBCRUPENKSQDB-AUSIDOKSSA-N 428.338 0.930 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1783935314 PUWAMDKSHAJUHB-NRFANRHFSA-N 428.493 0.151 50 20 ICGD Cc1cscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983405 RGNLTRYBUCCLHD-IEZWGBDMSA-N 428.319 0.643 50 20 ICGD COc1cc(OC)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c1 1789543700 NIQDJMCHXYKMBL-BIMQEMHKSA-N 426.897 0.897 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925108 NMYWQZFVEBMAKD-ROTRXOLRSA-N 439.278 0.272 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1790961656 UIAZYKNXSPVDGY-ABHRYQDASA-N 442.310 0.852 50 20 ICGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)cn1 1791058224 UBZJSQFVMRJTMP-UHXUPSOCSA-N 427.299 0.862 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791239480 WGDMPTCKDBJMJI-QQCJEOGWSA-N 442.940 0.975 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](N)CCC(N)=O)CCC2)cc1 1791599159 AUDFKRLLEAUGIW-INIZCTEOSA-N 432.525 0.086 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792133229 VGMQHRWANZCWHI-XQLPTFJDSA-N 426.901 0.254 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(F)cc1 1795198777 XOLXEBYXIXIQSG-USGNIVHTSA-N 436.484 0.167 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3cn1)C2)c1cccc(B(O)O)c1 1795741213 NNWFXZDNBRJQIQ-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796189882 LSFKIYVVXRTHQY-MRFPZENKSA-N 442.321 0.598 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccn1)C2 1796445442 AIINFMNDIYNPRY-HYWQPGETSA-N 441.492 0.168 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2s1 1796911823 VVDOWOIQJMVLEM-CCWDJLKJSA-N 445.545 0.873 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc[nH]c3c1)C2 1797751877 XFDJLUGXALJZJS-HBCWATKFSA-N 449.471 0.078 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1797956313 QENANHWEVQEIMO-CWPLJXCYSA-N 431.569 0.713 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(F)cc1 1799051839 HUNRYHFWUKHQRG-YFUQURRKSA-N 441.887 0.192 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801428894 WYQKGQJYFZVDIR-BKEDOTJMSA-N 441.488 0.360 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1807369738 UBUSTCPCUWFSMB-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376331 VFIOAPMJNNMSPG-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1808314238 WIEDSANRFULGHP-DAXOMENPSA-N 434.859 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnoc2)[C@@H]1c1cccnc1 1808524455 KVMUQEMGUQJHRC-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD COc1cnc(C(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)cn1 1808781088 GVBMWTQHAKNTCE-UHFFFAOYSA-N 432.525 0.703 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810297355 BRSCJEIZRPUATE-KXBFYZLASA-N 440.504 0.561 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CSC(=N)N)[C@@H]1c1cccnc1 1813071358 OHXKOFOTLKBPFV-KBXCAEBGSA-N 435.554 0.087 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339928 VFJVXWKSMKZZGX-KHIZAZIESA-N 430.339 0.422 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCOCC1)CC2)c1cccc(B(O)O)c1 1815354703 QPSFOGMGZUZFOK-HNNXBMFYSA-N 429.307 0.475 50 20 ICGD Cn1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1=O 1817470724 XGUVSINYMCDVBS-GOSISDBHSA-N 449.276 0.408 50 20 ICGD N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820932926 VKPDFBKGJKYAIB-GWCFXTLKSA-N 430.282 0.932 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1826139769 VMRLPSOCJUXMFQ-XPUUQOCRSA-N 428.820 0.333 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829517415 RGRLUDUVDWLLRK-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831646442 LORIPNIZYCYUMG-XLIONFOSSA-N 431.961 0.573 50 20 ICGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1)N(CC)CC 1831674941 LRYPYVPXFAJKKQ-HLIPFELVSA-N 433.977 0.817 50 20 ICGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)no1 1832791470 HRNUTQACDANIFK-KRWDZBQOSA-N 435.308 0.996 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819392 NTYOAFBGGODXGV-RHSMWYFYSA-N 434.331 0.143 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301363 LDGPVHZFVFVDMM-QKLQHJQFSA-N 426.897 0.430 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C34CC(F)(C3)C4)CC2)CC1 1836903982 BMUXZHOQKPOXKK-UHFFFAOYSA-N 444.312 0.871 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837711822 RQUJGEOBRGWANC-LJQANCHMSA-N 439.541 0.414 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1840034244 GAGFOMIKBBRWQL-HDMKZQKVSA-N 432.359 0.568 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cc1C 1840153602 VATARQSVAONKLO-DNVCBOLYSA-N 428.917 0.535 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)C1 1840186355 GJNCXKCEIIMFKY-SNUQEOBHSA-N 437.320 0.836 50 20 ICGD O=C(c1c[nH]c2nccc-2c1Cl)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013872 XWOHCBMGVGDITG-UHFFFAOYSA-N 438.680 0.979 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845430548 AYEHTPMHGAFFNR-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1845570915 HPLSWZOFQBCRGX-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD COc1ccc(CC(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)N1CCOCC1 22234167 VWLPNOYTCQZBGH-UHFFFAOYSA-N 435.506 0.809 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNC(=O)Cc1cccnc1 728982342 ZENUVQAZXLGTNY-UHFFFAOYSA-N 438.225 0.806 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCS(=O)CC2)cc1 731006157 XPPMSIXJSXKYRV-FOWTUZBSSA-N 441.513 0.932 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 734239914 ZMCYCSSYXOCUNT-UHFFFAOYSA-N 441.510 0.695 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nc(O)[nH]c3c2)CC1 735116840 IETAORBODTVCFA-UHFFFAOYSA-N 431.478 0.357 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccccc2OCC#N)CC1 735117994 MCNDZUQIDKKVPZ-UHFFFAOYSA-N 430.490 0.677 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 742038318 RPKSVKQNPMUDNQ-ZDUSSCGKSA-N 439.563 0.952 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1 742454227 MNHBASNLKLWRIK-UHFFFAOYSA-N 437.441 0.858 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 746214392 AKSWUPCOQNZCFN-LLVKDONJSA-N 427.299 0.629 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748517982 CHJUPYVEUIVBCS-UHFFFAOYSA-N 433.430 0.379 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2Br)C1=O 748560184 HXQHYOKBBFRREG-UHFFFAOYSA-N 427.186 0.326 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=S)N[C@H](C)C2CC2)CC1 751620626 KNJPDRLFKYSVCV-SNVBAGLBSA-N 429.568 0.986 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 754347243 VPYHSXKJKBEQNZ-MRXNPFEDSA-N 448.501 0.639 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755533721 FKVRRCHSVGMQCG-LBPRGKRZSA-N 432.524 0.352 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 756567032 ODWPUWTYARQNNV-UHFFFAOYSA-N 447.455 0.348 50 20 ICGD CCCCn1c(N)c(N(CC)CC(=O)NNC(=O)c2cccc(C#N)c2)c(O)nc1=O 756567912 WQSTXDSSBNDMAD-UHFFFAOYSA-N 427.465 0.490 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834742 JGWNWRMHTUFRKI-CYBMUJFWSA-N 434.428 0.501 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1cccnn1 757660245 ABTMESNMTXEDQM-UHFFFAOYSA-N 434.478 0.283 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c2ccccc2c1=O 757749648 VPFRSOTVYLFSQL-UHFFFAOYSA-N 443.485 0.987 50 20 ICGD COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1 760193853 DEBFDFPRBBHVCN-UHFFFAOYSA-N 444.469 0.790 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(F)ccc2Br)n(C)c1=O 761265809 BVUSPJWBWXCUQL-UHFFFAOYSA-N 437.229 0.486 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763551901 SYAYWVOWSJOITO-UHFFFAOYSA-N 428.401 0.282 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2)n1C 763569880 CQEWQYUQWSKUPU-KRWDZBQOSA-N 436.428 0.716 50 20 ICGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cn1 763643267 AZSZWROHFMLIGT-UHFFFAOYSA-N 436.428 0.200 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 763662666 ZCRZNUKTZNVPAD-UHFFFAOYSA-N 435.458 0.572 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 763823785 LIJSBENKHVLVIG-QGZVFWFLSA-N 439.472 0.276 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763999477 XFCPZMSNESFZFA-JTQLQIEISA-N 432.296 0.532 50 20 ICGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 764034021 BIWYDOSWUJSPTB-UHFFFAOYSA-N 430.486 0.858 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1F)C(=O)Nc1ccn(CCN2CCOCC2)n1 764422086 VBJDSORDFYYHBD-UHFFFAOYSA-N 438.847 0.408 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2c1=O 768901400 WKFDVOVOXFQUSK-NRFANRHFSA-N 434.412 0.063 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc1Cl 769823170 PJXSNQFJSJYSTF-UHFFFAOYSA-N 447.926 0.481 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1F 773250256 ASJDELZAWJQNIE-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1C 778425702 FFTXZNDHGFIBFW-UHFFFAOYSA-N 432.462 0.911 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc12 778436919 QUSZWPRNKSOCDT-SNVBAGLBSA-N 438.510 0.734 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778438446 XNQXNQWVJTXYLW-IBGZPJMESA-N 425.486 0.549 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 779053256 YTMWMEBJBXSJCQ-UHFFFAOYSA-N 431.316 0.733 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)nc1 782148130 CSNKMWMNWLHFNC-UHFFFAOYSA-N 429.433 0.838 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COC(C)(C)O2)c1 783273641 PAJZXGVWNPWTOW-AWEZNQCLSA-N 428.511 0.813 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CCS(=O)(=O)C1 783427802 QGLGUNSDJJPQFB-GOSISDBHSA-N 437.453 0.890 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1N1CCOC1=O 784005393 YPRPGGWLCZGDJL-UHFFFAOYSA-N 445.457 0.529 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1N1CCNC1=O 787541061 KNZBDSGEPYIERM-QGZVFWFLSA-N 439.428 0.451 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 794489163 XMUITAJSHPKSAC-KBPBESRZSA-N 430.527 0.286 50 20 ICGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1[N+](=O)[O-] 794825727 XKQDZRQGKUHRPE-SECBINFHSA-N 449.283 0.376 50 20 ICGD Cc1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc(S(N)(=O)=O)c1C 795162201 XTPOATLGGZCUIC-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 797369273 RQEGTMHQOGIYHE-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C1CCN(c2ncccn2)CC1 799918383 NHVXHUQCSNBBCG-KRWDZBQOSA-N 431.541 0.478 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CC1 802827491 BJTCCBLZVCFINB-UHFFFAOYSA-N 426.467 0.302 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1 806975297 SSJUJWWRXSPRFH-LBPRGKRZSA-N 426.433 0.294 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 807371434 LVOZJANSNCXGHG-UHFFFAOYSA-N 425.463 0.544 50 20 ICGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 808098665 SLSYDMKONHEWLK-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)NCc2ccco2)c1 816886508 ZHQDMFHTKALMPE-CQSZACIVSA-N 444.473 0.373 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)cc(OC)c1OC 913415636 BHODMRNXFREGAR-UHFFFAOYSA-N 441.437 0.591 50 20 ICGD O=C(NN=C1CCN(c2cnccn2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 915939522 RNXGCSOPRYHNSZ-UHFFFAOYSA-N 444.517 0.884 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)c2ccccc2c1=O 920928448 CALMSSPRLRPIRX-UHFFFAOYSA-N 449.427 0.452 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 1317798322 RFBWWNYNBUVJGQ-UHFFFAOYSA-N 441.531 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1779035703 LRJPZYSMPCMDAJ-NHCUHLMSSA-N 449.458 0.874 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780820392 GKZVBOFQPPREKA-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1782023874 MDKFGPVLXGRKPU-GKICUZSHSA-N 436.553 0.441 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783345388 ZVSQXMLZJPZZCE-UGSOOPFHSA-N 439.310 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1783936618 XUBAJHDUFDTJKF-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 1786077752 KLAUIICINXBQLM-ARQYOALSSA-N 441.492 0.147 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1 1786984317 CIQCOOOWMHHADW-BVSLBCMMSA-N 436.317 0.511 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790583487 FJYUFLMYBSADGQ-WZTLGTBRSA-N 431.320 0.459 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791063108 AISGPAIWCCENKT-CYDGBPFRSA-N 443.298 0.324 50 20 ICGD CCc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291149 OBVYZADBBNDOJN-ZOBUZTSGSA-N 435.525 0.512 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(C)o1 1794707929 ICKKZVFJKQMDKR-ZSBFGKGUSA-N 427.461 0.412 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccsc1)C2)c1ccc(B(O)O)cc1 1795734794 QWPBTLWYVBUZBK-XEMDLRDOSA-N 428.319 0.264 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1Cl 1795737743 PBTXZOXBUQENGI-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCSC(=N)N 1796033281 ZCXQKTKUBHUKQU-BQELMUNXSA-N 433.538 0.775 50 20 ICGD CN1CCc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)ccc21 1796191438 LVSTWDSVXBEHRU-WKCHPHFGSA-N 433.317 0.924 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cn1 1796238397 FQDQQAZRTFZVCI-MUJYYYPQSA-N 426.452 0.714 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2 1797752869 KRDYBCZCCUSWAR-KSPBDQMDSA-N 443.435 0.047 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798096300 AQCYHTCGAGOCDI-DYNIEEOBSA-N 441.282 0.409 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)C1 1798439640 RKVYZANRACXYAD-DGXTUMSLSA-N 443.504 0.526 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)Cc1ccccc1)C2 1798443207 XPLFTGNJDVPFPZ-AXVVYFOYSA-N 437.500 0.541 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1799276349 JJPIBBBOFLCMMS-SZRLZVLASA-N 435.226 0.918 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1800760938 BGQNVBJEFKKHHQ-WESCVCPDSA-N 433.892 0.086 50 20 ICGD CCOC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1801485789 NLBVAIDCTKXZIT-BTTYYORXSA-N 429.477 0.280 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@@H]1c1cccnc1)[C@H](O)CCl 1803146942 RSHYYNLVFAMTQD-OUCADQQQSA-N 436.818 0.366 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807191632 DRZXFZSZWPXTOR-AEIGPULVSA-N 440.342 0.464 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365760 WGTABXORGIOEAI-NQIIRXRSSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccncc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372110 ALRCBGIUAPBHMZ-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(F)n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373838 CYYLHGHWNWIVKJ-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnn1 1812400043 UGERUFXMUSDSEY-OXFYSEKESA-N 442.524 0.313 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncn2C)[C@H]1c1cccnc1 1813071300 RTMWPOMFWVUNJE-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD Cc1ccn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815337117 NGDNDVTYQIYSHC-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD CO/C=C(\C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819797827 LTBHEQONGJHOEZ-PBQZMEPESA-N 430.490 0.918 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821624051 XYSGCHCKQFNKJK-KDOFPFPSSA-N 427.314 0.736 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829618397 PXGNKBOGSGRRMZ-APWZRJJASA-N 441.868 0.193 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538763 PBIFKGFDISAHLM-KBXCAEBGSA-N 448.358 0.246 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2c1 1830727818 GVTRNBZVWRVHJX-FXAWDEMLSA-N 436.896 0.312 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nnc(C)s3)CCO2)C1 1833023697 SJWGVTVUBRFJCN-KSSFIOAISA-N 446.957 0.489 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833533652 INCVYCKOTGXDFF-RXVVDRJESA-N 445.004 0.616 50 20 ICGD O=C(c1cncc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834360066 VAFFTKURJMIGTH-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834828110 ZOIVDELNVCADEB-SFHVURJKSA-N 432.359 0.714 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275056 CLJSNMFFENPEEX-DLBZAZTESA-N 449.339 0.012 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839150182 DMTLEBUYXXLXSA-ROUUACIJSA-N 433.336 0.884 50 20 ICGD O=C(Cc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201786 JHVGRWYBHSQICY-DOTOQJQBSA-N 430.274 0.771 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031112 FYHAINRGWBELCH-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2n1 1843011711 JEBBQBCKGWTYCY-UHFFFAOYSA-N 434.261 0.382 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(N(C)C)ccc2[N+](=O)[O-])C1 1844702902 UHCKXRBMPRPUIS-UHFFFAOYSA-N 446.508 0.851 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038196 CKVAVFZZHNKPGO-MRXNPFEDSA-N 444.536 0.048 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)[C@@H]2C1 1846132910 UEQKTEQURLAZMR-LXTVHRRPSA-N 427.929 0.902 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 16098570 KNBKGORPAWNMCA-UHFFFAOYSA-N 428.492 0.620 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1cccc(CN2CCOCC2)c1 725873871 SXMIYKSJGNTPFN-UHFFFAOYSA-N 431.518 0.841 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C 725882839 CXHRZHODCZPPHD-JJLFXSABSA-N 440.508 0.577 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 727608776 WXTHOYCAUYFWMH-CYBMUJFWSA-N 431.474 0.937 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2cccnc2)c1 728981896 KFDYCTJZCKQQFA-UHFFFAOYSA-N 447.517 0.232 50 20 ICGD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 730324127 LRUFJQYJHXIMIK-CYBMUJFWSA-N 438.462 0.847 50 20 ICGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 731467240 NNFUPFBIISUREP-UHFFFAOYSA-N 436.490 0.891 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 731494092 KRYGORCUHYLDPF-UHFFFAOYSA-N 425.488 0.858 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474851 XJYOANPMKOGCQV-OAHLLOKOSA-N 428.511 0.057 50 20 ICGD NC(=O)C1(c2ccccc2)CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 734516939 LOZKSIZRVUQRGM-UHFFFAOYSA-N 434.460 0.536 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 740943743 SGJYHAAJRFHFPG-HNNXBMFYSA-N 440.522 0.210 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C 741657951 WTIIQTPDGVPZAS-UHFFFAOYSA-N 433.490 0.798 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 744706557 MWSRJMGATGHZGE-UHFFFAOYSA-N 435.458 0.991 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1C 745918973 PKQWTTVEFDWCKJ-XJKSGUPXSA-N 427.465 0.500 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 746299204 AOOJJJUGPMNRPL-GTJPDFRWSA-N 444.492 0.938 50 20 ICGD Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 747596268 LGLGMHRWQMOKAU-UHFFFAOYSA-N 436.837 0.946 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)cc1 749589633 HOULMGAVBHERKJ-JKSUJKDBSA-N 425.555 0.819 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 751207548 YXTUOYQWPAYLRU-VLIAUNLRSA-N 446.460 0.887 50 20 ICGD CSCC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)c2ccccc2C1=O 751212577 TVTILFIIWLOBRV-CQSZACIVSA-N 444.469 0.575 50 20 ICGD O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758676452 VEMJAIANZWHXEB-UHFFFAOYSA-N 425.493 0.168 50 20 ICGD CCCCNC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760165856 LAQQIGWOLNCTOQ-HNNXBMFYSA-N 427.527 0.346 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1OC 763550265 BTCLNVXJLDXVQO-UHFFFAOYSA-N 441.444 0.040 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)oc2C)c2ccccc2O1 763587050 STJKDDRYMDBJKX-KRWDZBQOSA-N 428.445 0.978 50 20 ICGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763718223 JCPMIZQNDGMJBV-UHFFFAOYSA-N 446.485 0.929 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763858828 XNZJKVNKBGAXJZ-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 763997352 KBWSDACDFMZBJI-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccn2C)cccc1S(=O)(=O)NC(C)(C)C 763997613 AKMFGGAFBBZUIE-UHFFFAOYSA-N 435.506 0.810 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)n[nH]2)cc1 764111778 SUKWSASSLWPNSC-UHFFFAOYSA-N 442.457 0.583 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2)C[C@H](C)O1 764144468 WZGMASQVDXSXRC-STQMWFEESA-N 438.506 0.371 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 764398997 JAGSTSVEPGVHPY-MGPQQGTHSA-N 440.472 0.577 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 764554011 UZLUERJBVLYSPH-CHWSQXEVSA-N 434.449 0.979 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnc2)cc1 766640338 DJDZBPZRKCXXQJ-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 766844426 UNFSCOBGUKNONU-UHFFFAOYSA-N 438.484 0.872 50 20 ICGD CC(C)C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 770980595 RNDPYRGAIVRGBA-MBNYWOFBSA-N 427.465 0.878 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1 776253976 MXAYZIIVHVAYBE-UHFFFAOYSA-N 449.415 0.283 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 780440343 STMXWCKRHMJRCJ-MRXNPFEDSA-N 425.449 0.613 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 783407398 BHIBPYBHEXDIOY-UHFFFAOYSA-N 435.384 0.905 50 20 ICGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704676 QMNPLVWEYSVVIS-ZDUSSCGKSA-N 435.547 0.196 50 20 ICGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 786423667 YMAVNIDLOQKNKQ-UHFFFAOYSA-N 447.517 0.877 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccccc2)cc1 787596622 ZUFDEPVDRBYZNL-UHFFFAOYSA-N 434.474 0.672 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 788169632 SDJHXDXADNDEFL-UHFFFAOYSA-N 448.343 0.058 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O)cc1 792538174 APJOVLWUKGDIOR-MLGOLLRUSA-N 436.446 0.392 50 20 ICGD NS(=O)(=O)c1cc(C(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)ccc1Cl 794498273 RXOIFBSJGSDFPZ-NSHDSACASA-N 434.927 0.588 50 20 ICGD Cn1cc([C@@H]2[C@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC(=O)N2C(C)(C)C)cn1 795102371 XJDHEUVIJKSCLY-BXUZGUMPSA-N 427.469 0.634 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1CCOc1ccc(F)cc1 799863929 MHEWPGKZSNRVFA-GFCCVEGCSA-N 425.442 0.000 50 20 ICGD CC(C)(C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1 801171714 IXIFOPCKFOICEJ-UHFFFAOYSA-N 437.972 0.716 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Br)c2cccnc12 802570399 RFYUANGBSDGJER-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 807566352 VKUNWJPJYUZXBA-SFYZADRCSA-N 434.486 0.772 50 20 ICGD O=C1C[C@@](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)(c2ccccc2)CN1 811235315 CIVXQWQWRWEFCA-FQEVSTJZSA-N 426.385 0.357 50 20 ICGD CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877660 UPGMSAKSPMROLY-NVXWUHKLSA-N 438.488 0.889 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(CN2CCOCC2)cn1 857479810 PJAZDFXOSXMICE-UHFFFAOYSA-N 431.880 0.645 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 914466273 LVAWDKMGFZQRHA-CYBMUJFWSA-N 435.543 0.961 50 20 ICGD O=C(NNC(=O)c1cc2c(cc1O)OCO2)c1cccc(S(=O)(=O)N2CCCC2)c1 916726327 KATFDZFFCNVJDR-UHFFFAOYSA-N 433.442 0.980 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 920240365 RELXHRHSZCIRCE-QGZVFWFLSA-N 432.568 0.597 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371509 WLHDGMISGMHXGX-VGOFRKELSA-N 447.536 0.628 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779866149 YHRFRINSKODACH-SGTLLEGYSA-N 443.888 0.645 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331302 IBCSUJDPGLSUNK-BLLLJJGKSA-N 429.246 0.541 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332462 ZFTGTWMMXQPKOS-GHJWDPDVSA-N 430.278 0.797 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1781998286 QUECBEKBHSULCM-PBFPGSCMSA-N 430.347 0.124 50 20 ICGD Cc1cccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782210532 YVLOISXIYJDWNN-AUSIDOKSSA-N 445.564 0.819 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1783933278 GHLSCPGSLKPRSO-HSZRJFAPSA-N 446.548 0.749 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]3C2)no1 1783970415 YZWHTOUBIRRTSI-SAXRGWBVSA-N 429.315 0.931 50 20 ICGD COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1786493012 QJJCIPMMUAGQRW-AJNGGQMLSA-N 433.933 0.745 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n1 1787750705 IARHQZNVHNIVSW-VTPLQMEGSA-N 442.856 0.191 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498218 MGEHEMGIRONWQV-DHJHWIFFSA-N 428.327 0.584 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924820 XQFAWKDYPIVLFY-HQRZJTNHSA-N 430.274 0.669 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791063872 VBRCHXYQRBOHCM-XUXIUFHCSA-N 427.299 0.006 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21 1791288008 MVOIRMJUHDKVCQ-LKIAZTKLSA-N 438.569 0.138 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1792870509 QQTQKLBYYCPHKV-OHTBPHCPSA-N 428.283 0.320 50 20 ICGD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1F 1794672473 OITWJPNFIAHYTA-BJWYYQGGSA-N 427.241 0.475 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799273771 HAMCXZZQFVRVRO-VBTGVMJWSA-N 444.381 0.140 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799932928 IVSJLVWWAXYUQC-GUIRCDHDSA-N 441.326 0.900 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1800973521 CIHFVVKUWOWYQY-LYIQGSDWSA-N 438.834 0.896 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCc1[nH]cnc1C)C2 1800977367 YNJVOWKLZNDYGO-UMPJEAMMSA-N 430.958 0.795 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523939 ZSLMXOAUBGVEDU-LSDHHAIUSA-N 447.960 0.703 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n(C)n1 1805638028 KDOFCLBFDRPPOF-WIYYLYMNSA-N 447.304 0.437 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364621 SVZVSLFFFMJCPC-XLIONFOSSA-N 433.277 0.128 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369542 NNYYOERVZOYRGR-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373785 GOWBWPNYCUEHSQ-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376249 URLMYGJPLJGAOG-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810542336 ZJYVPVNEGLTKBT-HDMKZQKVSA-N 447.568 0.537 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n[nH]1 1811469651 HFCSLWATYZPXIZ-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812778143 YHCPINKXCCPQEW-QUSNUVHPSA-N 439.354 0.984 50 20 ICGD O=C(CN1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814531312 DWQSJFDGFRJVKS-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD COCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CC1 1815190004 IMQSFGIGHYPTTJ-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335764 PRJLYMLFMGKRAZ-IUODEOHRSA-N 429.307 0.640 50 20 ICGD Cc1[nH]nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1F 1815337099 MKEWFQZZNWSDPA-GFCCVEGCSA-N 443.269 0.533 50 20 ICGD CC(C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337977 YHNXCAKFXRVGQJ-CQSZACIVSA-N 431.323 0.864 50 20 ICGD Nc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)s1 1815354503 FVLMQRIIQLAPRA-LLVKDONJSA-N 443.319 0.401 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)no1)CC2)c1cccc(B(O)O)c1 1815360851 PHLDAHSIZXAFJB-LLVKDONJSA-N 428.235 0.056 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815360876 PYYLLBJSAJDMGY-ZBFHGGJFSA-N 442.350 0.391 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415317 YLYZWQCNOCRGMT-DZGCQCFKSA-N 433.513 0.466 50 20 ICGD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cn1 1826080400 IUACYRCGUNHUHA-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826323031 XWFFFACZBWEWCM-RKDXNWHRSA-N 441.307 0.764 50 20 ICGD Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n(C)n1 1827050673 CHVZMTDOPGGERK-HXUWFJFHSA-N 438.337 0.955 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424792 MYEAWKKUZSWLSD-UZLBHIALSA-N 429.945 0.863 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C1CCC(CO)CC1 1833719718 VBOOYEYMDTXGNF-LADRWXRNSA-N 429.989 0.956 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821667 STDTZRUQPWECHS-SUMWQHHRSA-N 434.331 0.095 50 20 ICGD COCCC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118199 HDDVCMNFPIPBFS-PCLIKHOPSA-N 446.552 0.729 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc2ncnn2c1 1835631036 FFPGAVOCTIGOGS-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836886351 AIWJMXLOBSAHAW-HRAATJIYSA-N 446.353 0.386 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837445072 BCIZALQENUAMAU-GQJMBIMPSA-N 449.321 0.605 50 20 ICGD Cc1[nH]ccc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919509 ZSPCPTWGUCPUEJ-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1838395524 YQHMGCCFVPEERU-OAHLLOKOSA-N 445.520 0.334 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838536643 ZYQBXRUAYNJHCG-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839152354 WWUYLUYMFBEBPN-MSOLQXFVSA-N 436.336 0.302 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839174694 RVRHEXJXVVMOPV-GOSISDBHSA-N 447.326 0.737 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCS3(=O)=O)CCO2)C1 1839779737 MOLYVLLSXXHEDR-KDOFPFPSSA-N 436.958 0.285 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898834 VDOQVZJDSHFEAY-GUYCJALGSA-N 447.326 0.570 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840030749 VOUWELZNBYERKR-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031688 ZQMPBUGUVPKKCQ-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cnc1C 1840183570 MQNXCGJEDBGPEI-JOCHJYFZSA-N 447.536 0.141 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840819311 CBRDCNFZIQUYOC-MJGOQNOKSA-N 425.844 0.928 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848065920 NCEVWNKZBFPAPR-FDFHNCONSA-N 433.317 0.239 50 20 ICGD CCn1cc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 726120623 QMGSTYFLLIREHF-UHFFFAOYSA-N 438.535 0.555 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3OCC(N)=O)cc2)CC1 728213696 GUGRBTOPNLOOJX-UHFFFAOYSA-N 447.517 0.244 50 20 ICGD O=C(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 732329174 KIWOHTCIKYBVGL-UHFFFAOYSA-N 429.389 0.777 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NNc1ccc(-n2cccn2)nn1 732703036 KDJZDOYDBUEABU-UHFFFAOYSA-N 448.431 0.850 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 740749387 XHQZBTGJOPEXAS-UHFFFAOYSA-N 435.488 0.395 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1OC 740813761 UHLOCVOOPFJLQU-UHFFFAOYSA-N 447.469 0.966 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 744590388 VFXHEQUUAVAEIJ-UHFFFAOYSA-N 439.359 0.518 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1C 745700922 IAXMZXPVMJFZPH-IAQYHMDHSA-N 427.523 0.835 50 20 ICGD COC(=O)c1cccc([C@H](NNC(=O)Cc2csc(N3CCOCC3)n2)C(=O)OC)c1 753997570 FOIWAWFGOQSZEF-KRWDZBQOSA-N 448.501 0.844 50 20 ICGD CC(C)Oc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 755136680 ITDWYEKIWMRYEC-UHFFFAOYSA-N 448.501 0.965 50 20 ICGD CN(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786552 NHPPYASHDQJDRL-UHFFFAOYSA-N 438.510 0.598 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)NCC(F)(F)F 760801566 SUBMMQZWQRBPMC-JTQLQIEISA-N 425.408 0.785 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3)c2)CC1 763430055 DRRZTVVIFBXPQT-UHFFFAOYSA-N 445.501 0.022 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc21 763442198 NZXMJDICMNWIDQ-UHFFFAOYSA-N 438.400 0.695 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 763682784 WPUWITNYPMVHNG-GFCCVEGCSA-N 442.428 0.970 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763893283 TXBJZQGELLDPPH-UHFFFAOYSA-N 433.421 0.090 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C 763916978 MVKFJKNEHPNULQ-UHFFFAOYSA-N 429.418 0.219 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 764325348 KODYBQXUMXPYHE-KRWDZBQOSA-N 428.493 0.761 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764366421 LLWHSHZEBYPZSW-UHFFFAOYSA-N 446.485 0.430 50 20 ICGD N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1F 764426941 WOGQIIJZGTZJSE-QGZVFWFLSA-N 428.376 0.991 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnc(F)c3)CC2)cc1 766636745 UEYHWPCILHTVMW-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 769152446 FSSCKDXRPFEOLM-SJORKVTESA-N 428.493 0.900 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=S)Nc2ccccn2)C1=O 771270993 DQHZHLAGDTXVOH-LJQANCHMSA-N 428.474 0.875 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)c([N+](=O)[O-])c3)cc2)CCN1 771592712 QIYPEBFIINMICY-UHFFFAOYSA-N 437.409 0.611 50 20 ICGD O=C(NNc1ncccn1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 775470472 LATBZVKMSVVSTO-GFCCVEGCSA-N 426.480 0.091 50 20 ICGD O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCN(S(=O)(=O)CBr)CC1 777779908 TTXBRLAHNFZGDE-UHFFFAOYSA-N 441.307 0.673 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)c2)CC1 782117381 MJZDXWFEURMADO-UHFFFAOYSA-N 427.461 0.667 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C 783522686 XVRNQTBJVFCOKU-VFGMZZLHSA-N 426.514 0.757 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CCO1 785067274 JEQNPVJNBFCMJN-OAHLLOKOSA-N 436.472 0.888 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 794498284 SLUWOMZNPVTODP-KGLIPLIRSA-N 445.542 0.222 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)c1 802421762 YVWHCBNNAACTHH-UHFFFAOYSA-N 435.300 0.482 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1c(C)c(C(F)(F)F)nn1C 806973167 BVVITESHLLIWCA-UHFFFAOYSA-N 429.355 0.921 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CCc1ccccc1 806978077 LIWWSSJBPLZDOG-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD Cc1cc(-c2csc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)c(C)o1 806978322 WKIFDBSDCMKWRP-QMMMGPOBSA-N 429.480 0.044 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)(C(F)(F)F)C1 808044274 RLKLSYOBEPPSAH-BONVTDFDSA-N 443.444 0.758 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1OC 810155490 WHCDPUVIYCWKOQ-UHFFFAOYSA-N 428.854 0.492 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810308935 LUHXEIDLEAOTIW-UHFFFAOYSA-N 446.510 0.757 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 815693167 NYCSVQDRFOQEJT-LBPRGKRZSA-N 447.446 0.895 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OCCN3CCCC3)cc2)c(=O)n(C)c1=O 914695446 VLDQPQIADWBGKF-UHFFFAOYSA-N 446.533 0.196 50 20 ICGD O=C(NNC(=O)c1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918546787 GRUVNGJAHNZEKV-ZDUSSCGKSA-N 430.442 0.480 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919839252 GJNBBXCNPJPTTO-ZDUSSCGKSA-N 435.462 0.795 50 20 ICGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 920276373 WOFJZMGJBIIYNI-SFHVURJKSA-N 437.412 0.832 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)NNC(=O)[C@H]1COc2ccccc2O1 928978133 VCNFEFJTGDMABN-CXAGYDPISA-N 443.387 0.782 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1255200121 VUTTWXNVKPJDCB-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cn(-c2ccc(Br)cc2)nn1 1318120410 FWLZZJKZGJAJJC-UHFFFAOYSA-N 433.222 0.814 50 20 ICGD C[C@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320645404 QBRYASRAFXIMMA-MRXNPFEDSA-N 440.589 0.990 50 20 ICGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1330904638 VEEDNONOUKHYAX-QGZVFWFLSA-N 433.486 0.732 50 20 ICGD COc1ccccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1336956468 QZORLBBAJNUQJQ-GFCCVEGCSA-N 438.531 0.986 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778599685 NDBVJFQLPJZLTC-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783538703 ZCTSVWFQEOTBQR-YVEFUNNKSA-N 427.299 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1783934781 MSXQCBNAOZRTMY-HSZRJFAPSA-N 441.532 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1783936220 JAEOKVGKMRJZAR-LJQANCHMSA-N 441.891 0.691 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CC1 1786730466 KQBOMPQYGGMPKL-JKQORVJESA-N 449.365 0.294 50 20 ICGD Cc1ccoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787562274 MYORKTKOUPQWIW-JQFCIGGWSA-N 427.461 0.494 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21)C(Cl)Cl 1791295691 UIZBAXCHCGFAPJ-DLOVCJGASA-N 428.276 0.832 50 20 ICGD Cc1ccc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1792250730 RGAHIYMDUVMCIZ-FJIDUMEYSA-N 437.924 0.304 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cc1O)C2)[C@@H](O)CCl 1792979726 CJRFUOCSNDANDX-OWLDWWDNSA-N 447.713 0.958 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792984101 YJQJHDFTXPALGK-JYYAWHABSA-N 445.944 0.433 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COc2ccccc2O1)c1ccc(B(O)O)cc1 1794094040 ZRJQDOBGMVWZGW-BMQTXXJKSA-N 436.273 0.458 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796364445 IOXUEBJTIFKEJY-ITGHMWBKSA-N 437.896 0.386 50 20 ICGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)ccc21 1801015017 YFQMQGGDRBJWJH-JJLQDPRZSA-N 441.315 0.884 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccc1F 1801711796 KXTCCPTYGGHICP-YVWYUNDQSA-N 436.484 0.411 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805869077 WPMBPCXNRDVAHV-INIZCTEOSA-N 429.326 0.126 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369795 VWTVRODHECUHKF-IEBWSBKVSA-N 431.261 0.185 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3ncn(C)n3)C2)CC1 1807999998 LAANTVRCCBHYOB-BUVRLJJBSA-N 440.508 0.794 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812498260 JAHUSWCBFKCXSA-QZWWFDLISA-N 443.953 0.918 50 20 ICGD O=C(CCc1cn[nH]c1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815875621 PSQRPDGBYMEHTG-SFHVURJKSA-N 436.281 0.751 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)NC=O)CC2 1817281839 QZARKCQDQKKSLU-SAWOXTEMSA-N 445.505 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780564 DBUPZGIJIGPLOL-HADWXUJASA-N 449.581 0.900 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnoc1)CC2 1819797029 LIUCZLYBMKODHA-JTQLQIEISA-N 427.446 0.669 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822367239 JRBXULBTBLOBPA-MVWJERBFSA-N 426.861 0.254 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2csnn2)CC1 1824659257 NEANGTPQHRHFQL-SFHVURJKSA-N 428.323 0.765 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)N1C[C@H]2C[C@H]2C1 1826087634 HADAYIKINDWIQX-APIJFGDWSA-N 448.593 0.768 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1828925238 FSJJQGNMOOWUDP-ZGXWSNOMSA-N 441.532 0.811 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829363133 NFXJUEXMLBLPJL-KRWDZBQOSA-N 427.266 0.607 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732933 COCKRJYUGHBEPW-QAPCUYQASA-N 436.814 0.774 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1831656572 GOJKEUHDFAOUSZ-BLLLJJGKSA-N 443.850 0.529 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832933574 JDUNMYXCEYKBHG-KSSFIOAISA-N 443.342 0.830 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)nn3C)CC2)CC1 1833955974 MCORRVLLMPHLLP-INIZCTEOSA-N 441.960 0.868 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821181 AFXOZILVEHRPPV-QGZVFWFLSA-N 434.331 0.000 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnn1 1834824771 LVNUMQYEKFZCCM-CJNGLKHVSA-N 430.303 0.081 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1CC1(F)F 1835446625 AJHCFBSXKQWQRT-SFHVURJKSA-N 435.280 0.207 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836155365 BVELCPSOCWOJMH-SFHVURJKSA-N 426.311 0.866 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@@H](F)Br 1836413356 DAAIOXTWWHMPMO-CHWSQXEVSA-N 428.730 0.848 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837248695 YFWKPUSQTXPCBZ-WBJHSIEHSA-N 427.929 0.685 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462947 WYKHONBZUAWSTM-KBXCAEBGSA-N 434.990 0.334 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837662811 CWDQRFFMBLSTMA-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1839199961 ATDUFXBVJMWTEG-ZURLZEQWSA-N 448.333 0.474 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839276678 URMQCFRAHOEXGQ-YJBOKZPZSA-N 445.831 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840031320 MEQYCWOYDGKBDV-RDTXWAMCSA-N 442.310 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840149108 DSXUTXISLCOAKD-YVEFUNNKSA-N 431.829 0.512 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840190007 XNGZBPJGVOYYCC-MEDUHNTESA-N 427.281 0.808 50 20 ICGD N[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1842938650 DSNMGMALMICVLV-GOSISDBHSA-N 427.697 0.537 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1846363415 HOCABQFBIPHOPZ-ILXRZTDVSA-N 445.944 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)SCC(=O)N3)C2 1846384731 BKWDVADPHRFCEX-UHFFFAOYSA-N 445.545 0.921 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 729617768 GWKXFZQHJGFBRN-PMACEKPBSA-N 430.553 0.392 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 729962677 FAJVAVVUTUOXSC-UHFFFAOYSA-N 439.515 0.874 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc(OCC#N)cc2)cc1 732050941 NRTGXNTVWKEVBB-UHFFFAOYSA-N 430.486 0.908 50 20 ICGD COCCOc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 732387998 LPLCSYNHZNESJE-SFHVURJKSA-N 430.413 0.856 50 20 ICGD CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3cccnn3)cc2)CC1 737050680 ZGJNXOBXRGNCGX-UHFFFAOYSA-N 427.509 0.888 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1C 741340516 FRMSEHNMHXVPBE-HTXNQAPBSA-N 434.474 0.840 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1 741849975 MPXLKNBWZDYJLA-UHFFFAOYSA-N 427.490 0.875 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 743251396 PBKVSNDTRBGEMN-LURJTMIESA-N 432.263 0.646 50 20 ICGD CC(C)(C(=O)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 743599581 GVSBWWHZFBMOOQ-UHFFFAOYSA-N 435.506 0.841 50 20 ICGD COC(=O)c1cn(CC(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)nn1 747347663 BPMQHJZTDUREKL-VIFPVBQESA-N 426.227 0.442 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C 755515926 OMFBGJPZANLCPA-UHFFFAOYSA-N 440.503 0.773 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(C#N)c2)C1 756513450 DPJUMQNGESTORL-QGZVFWFLSA-N 429.477 0.053 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 756526537 MNMOAOZPOZIGCQ-UHFFFAOYSA-N 430.450 0.345 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 757987308 BQKXRLDJCWFOHT-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4ccccc4n3)cc2)c1=O 763450530 PVHMCJVZNJSQRR-UHFFFAOYSA-N 431.412 0.519 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCCNC2=O)c1 763571924 PRSGWWOUZOYJSM-QGZVFWFLSA-N 439.428 0.532 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cccn1C 763993922 STEZCSFZULCSQD-UHFFFAOYSA-N 447.517 0.406 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 764084825 WMEUTRJOXRVGIQ-LBPRGKRZSA-N 428.511 0.856 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc2O1 764345297 FJYRAICLDOYQQG-OAHLLOKOSA-N 432.820 0.347 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764354112 PBMNHNCNFUMNCF-UHFFFAOYSA-N 447.517 0.735 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)c(OC)n1 764377999 URECAUUGBYENHA-UHFFFAOYSA-N 440.416 0.897 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(C2CCCCC2)C1=O 765751025 GODWENNXKXVUDM-QGZVFWFLSA-N 429.525 0.957 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)cc1 766655692 TVQVGXBNQUDLBG-UHFFFAOYSA-N 442.564 0.894 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 771840524 RIUFVMWZDIWKFG-VIFPVBQESA-N 425.385 0.473 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 772017193 JUUOLMUKMDWYJE-MPBGBICISA-N 436.440 0.718 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNc1cnccn1 775280454 CRPPRNZNKCPSPA-LBPRGKRZSA-N 446.411 0.551 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 776076178 LASBZQBVCCEOPU-DNVCBOLYSA-N 425.507 0.749 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)Cn1ccc2ccccc21 777625576 KLCOJEREYJQZNI-UHFFFAOYSA-N 436.515 0.949 50 20 ICGD O=C(CO)NNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 777781749 DSOLYYZIJYYFOL-CQSZACIVSA-N 433.490 0.252 50 20 ICGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 778948142 WURFCPBSOGWCEY-RQPMMQJISA-N 445.863 0.636 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1 782120914 HYMXZPSWCIFSKY-INIZCTEOSA-N 429.385 0.408 50 20 ICGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 783999732 JGLXMCULHZXUOM-UHFFFAOYSA-N 443.254 0.175 50 20 ICGD CN1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2C1=O 785181991 HSECUFMCKZMFCH-FQEVSTJZSA-N 449.511 0.461 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 786772720 QNEAPAQIKWRMKM-LBPRGKRZSA-N 434.327 0.602 50 20 ICGD COc1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1OC 788181590 ABWLOXYKLABIIN-OAHLLOKOSA-N 434.376 0.987 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 794781080 PDGVNKHBCHQFNZ-AWEZNQCLSA-N 434.518 0.931 50 20 ICGD Cc1ccc([C@@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)o1 807023156 CQNOUOYICBYBNJ-QGZVFWFLSA-N 440.464 0.581 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2ccc(S(C)(=O)=O)cc2)c1 810681731 WLECHRZINKWYOC-UHFFFAOYSA-N 425.488 0.714 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)cc1 813033716 IGQBGRSTATZGPV-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD CCc1noc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2)n1 815691584 UWWXXZLKILFMLB-CYBMUJFWSA-N 438.448 0.547 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CC(F)(F)F)o1 918365957 HMGSQRGRGKFRLK-SECBINFHSA-N 441.384 0.709 50 20 ICGD O=C(NNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)N[C@H]1CCS(=O)(=O)C1 1116055785 PAHVHTIJUBQLNK-VIFPVBQESA-N 443.279 0.422 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1780603409 DVIPSNBCLWPSDA-GSZDEIQRSA-N 441.956 0.501 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3F)C2)C1 1780807519 HIYRNAIYLBKYPR-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783529302 HKWLFTCQURYWSC-UGSOOPFHSA-N 439.310 0.425 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1F 1783933204 RPEUQXCTXADEFY-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933694 DHBOXTHIFXUSQO-IERDGZPVSA-N 432.525 0.085 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784092432 LHLMUUCXCYLMRL-WNHJNPCNSA-N 437.924 0.767 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784285116 ZVRAJKDWOASCIY-HXOBKFHXSA-N 437.305 0.084 50 20 ICGD CC(=O)N1CCN(CC(=O)NC2(c3ccc(NC(=O)[C@@H](O)CCl)cc3)CCC2)CC1 1786134237 FBTDUAHTVQKMOS-SFHVURJKSA-N 436.940 0.884 50 20 ICGD O=Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984303 BENRYNDXTBIVFL-WBAXXEDZSA-N 442.302 0.148 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c[nH]nc34)[C@H]2C1 1787325472 RNEWZNBKCSAGNC-SZMVWBNQSA-N 442.520 0.529 50 20 ICGD COc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789465788 OKBPAAVGGBNTCX-IEZWGBDMSA-N 432.521 0.662 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccc(F)c1[N+](=O)[O-] 1790133498 SSFAGYFVLFFHGN-FATJJJSSSA-N 429.832 0.927 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)C1 1792970266 AYAHRMPVMPULMU-LWGJEFJTSA-N 431.327 0.949 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2)c1cccc(B(O)O)c1 1795739728 GWPSOTGAFGMYLE-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2ncccc12 1796797170 LBKWULNZUIKRAP-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796893772 RELLTINMAICAJZ-VWKPRPGLSA-N 435.550 0.873 50 20 ICGD COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn1 1797030254 PEUBPJRIVADTHY-BCDXTJNWSA-N 437.261 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)C2 1797753869 IZPRDLVVYWVTET-XMTJMIHESA-N 441.532 0.715 50 20 ICGD CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CO[Si](C)(C)C)cc2C1 1797957262 JGVZVDJRIPHEQU-CWPLJXCYSA-N 449.628 0.773 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)o1 1798434143 ADCNZMJVDKWAAW-BJWYYQGGSA-N 425.250 0.483 50 20 ICGD CCOC(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)OCC 1798443564 IWTGKEDZXFWOBW-QDMKHBRRSA-N 433.509 0.726 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799273788 HXPCAGIMEYUFTN-GUYIQFIESA-N 429.366 0.493 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1802276205 BFVSGOYEBPUQJZ-NOHGZBONSA-N 430.914 0.344 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnc1 1803308420 OINBAGGQAGZCOE-PBEJRMEISA-N 447.304 0.539 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804340608 DUWRDXGQWOUUNH-IIAWOOMASA-N 435.912 0.951 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359543 AXCGGZSXFHCSTJ-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814817288 IXMLWQLSQDERRJ-WMZOPIPTSA-N 428.298 0.802 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1824889638 RVEKQXAUXQLPMZ-IBGZPJMESA-N 437.585 0.848 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)n(C)n1)CC2 1826080557 QSWCRDRYBAOKEP-SNVBAGLBSA-N 435.510 0.181 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826091791 CKZLLJHEPDKQDG-KGLIPLIRSA-N 447.565 0.961 50 20 ICGD O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722418 BBZNMVCOHIRHNK-QFBILLFUSA-N 432.851 0.563 50 20 ICGD O=C(c1cccc2cccnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728022 NEWXOGIXSZQOAI-DYESRHJHSA-N 433.892 0.905 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830927202 OIGAMGDLIVUXEX-RZQQEMMASA-N 426.897 0.441 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832204004 BSDGHVCWENRSNE-AEFFLSMTSA-N 425.848 0.422 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833169342 NUZARVLBNWEOOY-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834288489 VXJOMWQWHDQAIE-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412804 WKNPYIVTAOSGSS-INIZCTEOSA-N 438.338 0.912 50 20 ICGD CC[C@H](C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837455672 CXJWHJUDVNHINT-YCRPNKLZSA-N 433.509 0.191 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1837713066 FKNICKFRVAJCDY-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1838218881 UYAZPRRNZZRVED-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnn1 1838730455 UGQSEOFSHJVQRX-INIZCTEOSA-N 449.556 0.211 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839151679 APCZOGCMKPEKMG-SJORKVTESA-N 449.291 0.194 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)n1cncn1 1839155441 UBSJBXNAZZQQJT-XOKHGSTOSA-N 434.324 0.532 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839387840 WWUYZADEDIRTCF-CKFHNAJUSA-N 449.932 0.303 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839952424 FEGLQTKLGJOHHJ-UZLBHIALSA-N 426.897 0.294 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840031634 XUTIFGMBJXXVNP-BZNIZROVSA-N 429.271 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1840152343 FZNBFKZNTZAVGH-DYESRHJHSA-N 438.908 0.945 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415926 UKVIXRXOBWRFPK-CPUCHLNUSA-N 444.330 0.327 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)c2ccccc2)C1 1841523695 ANTPDKKPGBDMBS-UHFFFAOYSA-N 429.521 0.335 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3nccnc3c2)C1 1843779912 MIRPEQQQEQFELM-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2CCN(c3ccccn3)CC2)C1 1845032884 CEQBRFOGEWVQRF-UHFFFAOYSA-N 442.564 0.874 50 20 ICGD Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)cc1 9889710 YPLGXQMPMGTSFL-UHFFFAOYSA-N 430.486 0.860 50 20 ICGD O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785823 DXISBCRCTDQQKC-AWEZNQCLSA-N 443.481 0.798 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 26539706 ZWDWGVOZHGSZLY-UHFFFAOYSA-N 445.501 0.502 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 45866284 ABNFJWPKUTUXIH-UHFFFAOYSA-N 446.532 0.007 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 725873400 NIIJZOMCPGDLNG-UHFFFAOYSA-N 432.462 0.949 50 20 ICGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727033195 NGMNNGGITWPKPB-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727090818 BQQKEFQRYWFECF-UHFFFAOYSA-N 449.265 0.291 50 20 ICGD O=C(CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 727846254 MVAWGTBFVJHYNK-SECBINFHSA-N 437.305 0.631 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 728204231 ZEGUCVOPBOHVEA-RHSMWYFYSA-N 445.497 0.732 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)CC(C)(C)C)cc2)CC1 728216132 SBXMVVRAZKKRBA-UHFFFAOYSA-N 425.555 0.618 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)o2)cc1 728433563 DANDNPSAUYSYMO-NSHDSACASA-N 428.492 0.243 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1 729510015 OBIBKIJOKGMLIV-UHFFFAOYSA-N 444.469 0.676 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734239764 BQDNUBVIOMWGHI-UHFFFAOYSA-N 429.499 0.454 50 20 ICGD O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734677025 HRJBRDYMBWTODQ-INIZCTEOSA-N 440.522 0.611 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(Br)c1 735461495 JVDJGGWEQQECLB-UHFFFAOYSA-N 431.268 0.983 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCCC2)c1 735646857 VXEQXLRCWTYWKM-HNNXBMFYSA-N 431.536 0.604 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)COCc2ccccc2)c1 737926631 LRYVDPFWCGEAGS-UHFFFAOYSA-N 434.474 0.994 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)cc1 738509149 GBVLNMIYSIYZEE-UHFFFAOYSA-N 447.455 0.714 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 741824808 SMWRQPRXJRMDEY-HOTGVXAUSA-N 426.429 0.428 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 744562303 XIIRFZYSQBENQQ-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 744580779 LNWZXLLPKROKPD-UHFFFAOYSA-N 427.417 0.117 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744594583 IJZAHNDMVIXKCV-UHFFFAOYSA-N 446.441 0.358 50 20 ICGD CC(C)c1ncc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]1 747595502 AJLDONIKGBGGOC-UHFFFAOYSA-N 441.535 0.941 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CCc2ccco2)cc1[C@@]1(C)NC(=O)NC1=O 748213904 OAGKCWWANWTSBT-GOSISDBHSA-N 436.446 0.285 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc4occc4[nH]3)CC2)cc1 750914715 NJIFEXJGMRYCBU-UHFFFAOYSA-N 445.501 0.837 50 20 ICGD C[C@H](NC(=S)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 751620596 XEWCTDILBAKXMA-LBPRGKRZSA-N 442.563 0.810 50 20 ICGD COc1cc(Br)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 756182964 JCRPFTVZSMQVPE-SSDOTTSWSA-N 439.288 0.557 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(O)c1 756838426 MRMCJXORBRAKPW-KBPBESRZSA-N 430.465 0.999 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(Br)c2)cn1 756840254 VCKFYMBLRAVSFP-UHFFFAOYSA-N 439.270 0.875 50 20 ICGD COc1ncc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C(N)=O 757692725 REUILRARJKIAOL-UHFFFAOYSA-N 441.492 0.554 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 758035979 PCTQJMBHYKEQSF-AWEZNQCLSA-N 445.501 0.700 50 20 ICGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc21 760224708 XNMYIMIJILJXDX-NRFANRHFSA-N 428.445 0.232 50 20 ICGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCOCC1 762368271 YDWAESVMCBSHQS-CQSZACIVSA-N 426.543 0.459 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763442836 UFXGWQFGBXTFBK-UHFFFAOYSA-N 428.405 0.495 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 763848409 GZPCDGXBLNBRQZ-CQSZACIVSA-N 448.501 0.765 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)n1 763886320 SRBSDLHLTFGFAX-IYBDPMFKSA-N 428.493 0.900 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C(F)(F)F)c1 764229963 GOMKAEKIFQZMOC-QMMMGPOBSA-N 440.400 0.128 50 20 ICGD NS(=O)(=O)c1cnn(CCC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)c1 764334382 RZEQDLHDPZZDQV-UHFFFAOYSA-N 428.421 0.234 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 764518656 HFVHJCRVEFXAQE-UHFFFAOYSA-N 441.985 0.906 50 20 ICGD Cc1sc(=O)n(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 765736751 AGQITBOHJMVNCT-UHFFFAOYSA-N 445.545 0.522 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 768611218 GGOXDGZDJLJWHO-UHFFFAOYSA-N 444.469 0.813 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCc2nnnn2C)c2ccccc2c1=O 772575143 GYQBZUFEKDMMFI-UHFFFAOYSA-N 427.469 0.297 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 773688599 GMSMOFVZEVFGQW-LJQANCHMSA-N 435.440 0.654 50 20 ICGD CCc1ccnc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 774819591 HCXJRVYMPDQDLT-UHFFFAOYSA-N 445.545 0.720 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 775332680 BFCORUBBDWYHFE-AWEZNQCLSA-N 429.502 0.920 50 20 ICGD Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CC3 778544410 JHPPYQAQUIQSPP-UHFFFAOYSA-N 433.472 0.885 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 778676894 UXYOZGRZLVSVQI-CQSZACIVSA-N 435.481 0.521 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(OCc2cscn2)c1 784004820 VTKNHKBQZHBFHP-UHFFFAOYSA-N 443.441 0.831 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ncccc12 784005298 UMERMMHDYUOWOW-UHFFFAOYSA-N 427.442 0.821 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1 789735440 OTOQMEKVXKMQIA-AWEZNQCLSA-N 447.517 0.347 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCn1c(=O)oc2ccccc21 792918987 ZCPWREHIQZYEJB-UHFFFAOYSA-N 427.417 0.851 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c(OC)c1 793732424 ZALUNZDKDRRQRD-IBGZPJMESA-N 434.449 0.541 50 20 ICGD CCOC(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 796403465 REIAQDNLDFSJII-MRXNPFEDSA-N 435.433 0.386 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803967282 DMLHYFBLTHERSI-LBPRGKRZSA-N 449.526 0.290 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c(C)o1 806973811 WZBFRIYSTVFOOD-UHFFFAOYSA-N 426.426 0.686 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)nc1 807580723 DCVGFPDJONYLMP-ZDUSSCGKSA-N 433.556 0.563 50 20 ICGD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ncc(F)cn2)cc1[N+](=O)[O-] 810776646 BKSJOQKHNWOANY-UHFFFAOYSA-N 427.418 0.766 50 20 ICGD CN(C)NC(=O)Nc1cccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 819552423 VLGLFWKNSOCRHW-GOSISDBHSA-N 432.525 0.937 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Nc1nccs1 875394010 BVEKQWCBLGGLPG-UHFFFAOYSA-N 439.519 0.950 50 20 ICGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 917919653 VBVSAHQBIQZNFY-UHFFFAOYSA-N 431.902 0.142 50 20 ICGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1ccnc1 1317999073 RUMCDRPLMHEINL-OAHLLOKOSA-N 435.506 0.245 50 20 ICGD CCOC(=O)c1ncc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)s1 1327246217 GSSNONYOAMQJRU-UHFFFAOYSA-N 425.492 0.996 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778702859 SGDIEAYRKUYXKL-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)no1 1781331398 JSIPYDLNEAMHLD-CJNGLKHVSA-N 447.261 0.233 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582909 RTVPMBFDGZVISJ-OAQYLSRUSA-N 448.206 0.541 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781961891 SUIQCTLXZJDZDN-QFIPXVFZSA-N 437.236 0.134 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)CC1 1782215465 ZXHQIYRTZBETNH-DNVCBOLYSA-N 435.396 0.942 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)c(=O)nc1O 1782221621 RNRDNVFVAUKSEJ-KZULUSFZSA-N 447.319 0.575 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Br)C3)CCN1 1782269667 RQJDZRLTUQAFBE-CTWCOEIASA-N 434.306 0.717 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782345022 JRCGUNPUERDPGA-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD O=C(C(Cl)Cl)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783944321 XECSAWFJEAKTIQ-YPMLDQLKSA-N 445.303 0.626 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1783965453 LTLHOCANCKXBTN-VRKREXBASA-N 427.343 0.973 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785020752 KFPOUNQEXGIQCK-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD Cn1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)cc1O 1787052424 ONYNOFYKBWZGTA-UHFFFAOYSA-N 434.261 0.867 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788889071 HJZOQJLLEONZPL-ZBPZKIAKSA-N 445.245 0.459 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790960654 PKNXJYHANQNXQR-LXFSFDBISA-N 430.343 0.830 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1791256628 DPMHFPKQQVLBSE-TUUVXOQKSA-N 426.901 0.513 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)c1 1795735318 ZDYOIBORONUICB-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189279 SLMQQDYMXJVHGG-VDNDLQMASA-N 428.323 0.575 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(Cl)c(O)cc1O 1796191609 DVALPPSMDVCCHM-QDMKHBRRSA-N 444.680 0.997 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1C[C@@H]2C[C@H]2C1 1798440607 SXZMBVURELPGFA-DYSFYUKASA-N 426.521 0.277 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc(-c2ccccc2)o1)c1ccc(B(O)O)cc1 1798501092 NQBFEKOXNGGYHN-REPLKXPHSA-N 446.272 0.982 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1NC(C)=O 1798606346 AJUVUKDWWPMCMY-KPEUIFRASA-N 439.896 0.457 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)c(F)c1 1799001293 OEXXCCQDJDZIRU-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1799268684 DEXMJTGAPIJAPF-FQLMCAECSA-N 440.953 0.499 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363651 NGSJLKQCRLKQGK-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1808764552 QMJOCBWPADJKDE-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812322003 FLQVEZYUKLBWGX-IGVAALFASA-N 444.536 0.500 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1)C(=O)O 1813030055 CWLVUDJOENUERH-KCYZZUKISA-N 426.901 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1 1813660577 KGOVGYODNVQXRI-JPDLMGPVSA-N 429.521 0.353 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1 1814159074 NVBKVNUHVQBBJO-LQWHRVPQSA-N 431.537 0.887 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1816781665 FQSJXJPJAMZNIP-CZUORRHYSA-N 444.330 0.837 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819363517 GPBPCWLNOZJJSR-QZTJIDSGSA-N 440.309 0.969 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)sc2C1)c1ccc(B(O)O)cc1 1825687371 UNEVKKWYRMXPMM-HWMZRRJGSA-N 441.318 0.616 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c1 1827229219 SQIRZMCYNOFIJF-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)c1 1828925842 UQAVHRRSINDCRB-IBGZPJMESA-N 439.520 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829164096 ZKPBOXNWPPVSMH-HNNXBMFYSA-N 449.512 0.924 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(C)n1 1830728226 QPUXUCYYZGLYEE-XLIONFOSSA-N 425.913 0.622 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728249 QQDSQKUPDJUNQK-UZLBHIALSA-N 440.880 0.341 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1831640368 LRFGRTKZZBZKPO-KSSFIOAISA-N 436.958 0.757 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833767963 IQSOMMATHZQDES-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnn1 1834824772 LVNUMQYEKFZCCM-CZUORRHYSA-N 430.303 0.081 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826297 KBLUYXUGFGIYLE-QAPCUYQASA-N 443.342 0.761 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441221 RLIRSZSZJKSONN-HXUWFJFHSA-N 431.961 0.430 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccno3)CC2)CC1 1837458515 UGAKTOOELPFVNJ-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ncccn3)CC2)CC1 1837501665 RFCUSYQEKZQAHP-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)s1 1837711800 QRSDPBZJTRXKJH-SFHVURJKSA-N 442.614 0.697 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825635 HUNFMBLHNIHHHW-INIZCTEOSA-N 445.270 0.778 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(O)c1 1838887415 BUVQMKOVZHLGJP-APWZRJJASA-N 428.869 0.071 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839151198 KOLIYGNEBBMQFK-ROUUACIJSA-N 433.288 0.946 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839949968 SQMFJRJNHKHZGO-KNBMTAEXSA-N 426.897 0.510 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839962898 UXPXOEXADOQKLV-LRDDRELGSA-N 430.303 0.059 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)CC1 1840034990 CFTDPIXRUUTISD-WBMJQRKESA-N 433.299 0.179 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cccn1 1840439949 AFRAZTIZIUODCV-WMLDXEAASA-N 429.315 0.686 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)CCBr)C2 1841299507 YXHHNEZCMMEROF-GFCCVEGCSA-N 434.331 0.860 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841432212 JYLFNUULXMFWDK-KBPBESRZSA-N 433.933 0.719 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385797 XIUVNWWTFHFJKN-UHFFFAOYSA-N 433.465 0.799 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)CCN2CCN(c3ccccc3)CC2)n1 303752888 MFYJNJFMJKRULG-UHFFFAOYSA-N 430.578 0.895 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)C1=O 728202958 DUEVMIJFXGKSGM-LBPRGKRZSA-N 436.852 0.848 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(CNC(N)=O)cc3)cc2)CC1 728213375 ZCDRPUXBVPIKJU-UHFFFAOYSA-N 446.533 0.548 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2O)c1 730836391 RPPBJEFMHKLOQS-UHFFFAOYSA-N 435.458 0.490 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl 731104064 AENVAQWBOYHTGJ-LURJTMIESA-N 431.275 0.436 50 20 ICGD CC(C)(CNC(=O)NNC(=O)c1ccc(F)cc1Br)NS(C)(=O)=O 731761419 KNJAIVQKYDVCON-UHFFFAOYSA-N 425.280 0.860 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2nc(-c3ccccc3)no2)c1 732111979 NLYLNCUXTFAGCN-UHFFFAOYSA-N 444.473 0.978 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](C)O1 732260358 DAEGZNIHWSZWKB-QZTJIDSGSA-N 446.548 0.951 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 743560731 IBYVGVAALFYKQQ-UHFFFAOYSA-N 428.373 0.092 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 745987645 CJNXSEXLQZXVRT-UHFFFAOYSA-N 431.902 0.209 50 20 ICGD CNS(=O)(=O)C1=CC(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)=S=C1 748695832 SGCJBFWRQZUAOS-UHFFFAOYSA-N 435.483 0.774 50 20 ICGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1Br 755508545 SVWRUADJOSMIFI-MRVPVSSYSA-N 434.268 0.823 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)co1 756147065 ZAJOKFSFUFTWPO-UHFFFAOYSA-N 449.445 0.670 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCN2CCC(N(C)C)CC2)c2ccccc2c1=O 759591691 BDGOPOZXCMOPCB-UHFFFAOYSA-N 429.525 0.386 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763716196 CCSLZBDALITCFN-UHFFFAOYSA-N 438.437 0.200 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1OC 763803427 IAARPVXRBFYRAH-UHFFFAOYSA-N 448.388 0.786 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814073 OGQCPYZQFLWOKM-UHFFFAOYSA-N 439.428 0.921 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CSc2ccccc2O)=NN1c1ccc(F)cc1 765247323 CBTDYKNXRNNVIF-AWEZNQCLSA-N 431.449 0.891 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2cccc(F)c12 765721770 INGLNXMWHBLOHI-UHFFFAOYSA-N 444.448 0.557 50 20 ICGD COc1ccc(-c2ncc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cc1OC 767683721 KWORYTJJZKIINF-LLVKDONJSA-N 440.503 0.958 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769623714 FNASBHYEUMSQEH-UHFFFAOYSA-N 446.454 0.189 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772188441 PLOQNGGGJFOKBF-UHFFFAOYSA-N 438.893 0.668 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3cccc(S(C)(=O)=O)c3)ccc21 776524816 CHCOGKUPWOTTGC-UHFFFAOYSA-N 446.489 0.538 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 778440412 GKMQUSPCXJDDEU-ZDUSSCGKSA-N 434.449 0.692 50 20 ICGD CCN(CC)CCn1ccc2cc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)ccc21 784000353 YMWKNPDSHFOQJZ-UHFFFAOYSA-N 442.520 0.691 50 20 ICGD Cc1c(NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] 784352239 KPCLZMLJSGJAJG-UHFFFAOYSA-N 431.409 0.040 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)n2ncnc2N1C 791464545 FCNBZWROHYZJMM-NSHDSACASA-N 429.393 0.476 50 20 ICGD Cc1cccc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 792236733 QMJFBQHIDMTPQN-UHFFFAOYSA-N 433.538 0.590 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc(S(N)(=O)=O)c1C 794065797 PKVCVKBAXLQUDV-UHFFFAOYSA-N 434.474 0.638 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3ccccc3c(=O)n2C)c1 794764371 UHMINEILNDOMHX-UHFFFAOYSA-N 428.470 0.864 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1[N+](=O)[O-] 797369875 OTUHQHKYDJJKBW-UHFFFAOYSA-N 429.389 0.916 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 797536286 YYIKOMNNQIKZPR-UHFFFAOYSA-N 426.429 0.960 50 20 ICGD COc1ccccc1CCNC(=O)CNC(=O)NNC(=O)CNC(=O)c1cccs1 798058872 AJONCXJEDGEVKJ-UHFFFAOYSA-N 433.490 0.176 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 806639302 RGDSJKWPYOTNHS-UHFFFAOYSA-N 445.461 0.682 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 815692329 OLABERONXOIRAG-NSHDSACASA-N 433.419 0.505 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 816875629 DQCJAJYBLOCXOP-CQSZACIVSA-N 444.473 0.373 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914831733 RAMVYFNQODQKCH-ZIAGYGMSSA-N 425.532 0.270 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)N[C@@H]1CCS(=O)(=O)C1 1251233400 UGDLJRLWLSQJNS-CYBMUJFWSA-N 444.460 0.335 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1 1317719620 ZRCILCZFMYQXNK-OAHLLOKOSA-N 448.567 0.184 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779546133 DOMVRSYYRUEHTG-DNVCBOLYSA-N 444.674 0.836 50 20 ICGD CCC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780098526 NWKKYAYXNZWXGU-HXUWFJFHSA-N 433.417 0.943 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124911 IMMQEFUBXQEOJI-XTQGRXLLSA-N 427.299 0.681 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1783537318 NMEBABJTBAKTII-FZKQIMNGSA-N 436.310 0.885 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783870695 FTLYEAKGLNGBQN-KUDFPVQQSA-N 441.956 0.861 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1)C(=O)O 1783968467 VAJKZFFXULMNED-YHQUGGNUSA-N 434.331 0.060 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392056 LTAPBZPUKQETAY-NHYWBVRUSA-N 432.344 0.900 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460517 VCRIOEJGRCYMSZ-SUMWQHHRSA-N 427.299 0.859 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784582316 JCYSVFXPYNXIIV-ZHRRBRCNSA-N 426.278 0.282 50 20 ICGD Cc1noc(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785085341 ZCWPUEOXRSNBBC-SZMVWBNQSA-N 435.525 0.187 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785338538 JEGLBHSVKMJWCA-AUUYWEPGSA-N 433.933 0.985 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(N2CCCC2)ccn1 1787621381 CCHMWKVERVNGDY-CBVHJVASSA-N 436.940 0.875 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1793862912 FCVJRAGMBSWDNE-LZDSYCOUSA-N 437.855 0.797 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Cn1cncn1)C2 1796891776 KOJULCGHYHOHCN-PGDIINEESA-N 440.508 0.686 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cccc(N2CCOCC2)c1 1799611136 KJYKUNPGFZSOBX-UKBAYJJMSA-N 437.924 0.326 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(O)cc3)CC1)C2 1801008958 KGSAWMNOBCFETQ-VPTLXERWSA-N 444.532 0.386 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1803015593 RLLLVYMWRPFRTJ-FMPTWSOUSA-N 439.354 0.841 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]3c3cccnc3)CC2)CC1 1803141867 UUGHEORJPZDUAZ-QYZOEREBSA-N 449.983 0.467 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779212 IUABOIHABMDXQN-NQIIRXRSSA-N 446.272 0.028 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805527203 UWOJICSFOZNZAH-ZIAGYGMSSA-N 433.933 0.660 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360439 BTZWCZVMNWLSRK-GHTZIAJQSA-N 439.321 0.896 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2CC(=O)C2)[C@@H]1c1cccnc1 1810307705 GOAKBCSWHJXECQ-IFXJQAMLSA-N 436.472 0.379 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812414650 GMNWGDMUSMANGF-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCCC2=O)n[nH]1 1817161949 STMOJCJTGQNTLN-HNNXBMFYSA-N 433.513 0.397 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cccn1 1817479840 UIKLUVZDIQGZLI-KSSFIOAISA-N 436.281 0.853 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2 1819796753 DKOWCRPUTXNBEP-JVXZTZIISA-N 426.861 0.902 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)n1 1825743747 CQXJEODWERUSTM-QGZVFWFLSA-N 440.508 0.361 50 20 ICGD O=C(c1cc(O)ncn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056306 VRMDDESJXWHKPZ-IBGZPJMESA-N 438.293 0.409 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060547 PBJVWHJYYFJRLV-DGWAXEAPSA-N 441.337 0.640 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1830300077 MKRULWCJMZDXSA-JCGVRSQUSA-N 437.896 0.890 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723949 AGEGFSYKYQSGHG-XIKOKIGWSA-N 430.864 0.096 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830739103 YCCYAGSYIOPOKP-LIRRHRJNSA-N 430.860 0.504 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831439123 XEFAPBAYNLAATM-RDTXWAMCSA-N 436.958 0.757 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1831646556 LDXRMTVMYNGACN-BBTUJRGHSA-N 438.956 0.815 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994464 HRWGQOGHBHDMJQ-LIRRHRJNSA-N 434.917 0.428 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834301037 STQXMAKXZLICJG-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccc(Cl)c1 1835724610 NRDHJMRDJCFKMK-JTDSTZFVSA-N 446.331 0.396 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1F 1839198038 QXRQAZJNSHMOFI-SWLSCSKDSA-N 437.241 0.618 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840033979 WJCSDVOCJBURJS-GRDNDAEWSA-N 444.330 0.154 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)C1 1840146564 RLSLNWHGUSLPRT-QCUYGVNKSA-N 434.892 0.957 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190010 XNHLKXUAPHZKLE-QGZVFWFLSA-N 440.324 0.771 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840884921 CEELBGXDDQRSCI-HXUWFJFHSA-N 444.601 0.884 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)OCCO3)C2 1844264162 NFSAULFMYWUQLE-UHFFFAOYSA-N 437.456 0.587 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844508367 AYNYOPZJAXLPJS-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1846839579 AKQLRGUMUQLCKL-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD O=C(c1ccc2nnc(Br)n2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560483 UBJPUNXKDDWGJC-SRVKXCTJSA-N 442.701 0.907 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1847854728 TXIYLCDFYUUJSW-RFGFWPKPSA-N 430.933 0.832 50 20 ICGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 115407981 REZOWGMEGGUGJR-MRVPVSSYSA-N 430.895 0.628 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 725740133 CDUHONLPPWCEQM-QGZVFWFLSA-N 435.440 0.593 50 20 ICGD C[C@H](NC(=O)CC1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728340900 QSBIGJWUWSWPBF-KBXCAEBGSA-N 447.488 0.992 50 20 ICGD CN(CCCNC(=O)NNC(=O)c1cc(F)ccc1Br)S(C)(=O)=O 728745327 SWCFVSWEJBBRLD-UHFFFAOYSA-N 425.280 0.814 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 728850737 ZKKDXLHFBOARQQ-HDICACEKSA-N 438.488 0.363 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cnnc4ccccc34)cc2)CCN1 733809055 UPTFFOTXMPFGJR-UHFFFAOYSA-N 426.458 0.507 50 20 ICGD CSC[C@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737062002 XQRKJOCRWGLBFA-AWEZNQCLSA-N 444.579 0.722 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 742033258 LNKRXLHEFJVLMU-UHFFFAOYSA-N 433.442 0.352 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc(S(N)(=O)=O)c1C 744582184 QOUKYXYONPOQTN-UHFFFAOYSA-N 430.442 0.441 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)Cn2ccnc2C)cc1 749196281 LGYDMLISJWKJGU-HNNXBMFYSA-N 436.538 0.787 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(Cl)c1 751547100 IUFBNWZVIAGFBE-LURJTMIESA-N 434.721 0.350 50 20 ICGD CN(C)C(=O)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]1 752157462 NWDAAJDEAXDPMX-UHFFFAOYSA-N 433.490 0.501 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NNC(=O)c2ccc(F)cc2)c1 752337180 NUUULKXEPXWNHE-UHFFFAOYSA-N 443.439 0.712 50 20 ICGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753947322 CCNMUMOZTBZVNE-GDBMZVCRSA-N 440.522 0.609 50 20 ICGD COc1cc2ncn(CCCC(=O)NNc3ccc(C(N)=O)nn3)c(=O)c2cc1OC 757402988 SBEHJMOFMWMJEJ-UHFFFAOYSA-N 427.421 0.226 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)c2ccncc2)c1 757776798 QZMBTROQCCSVIC-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758029017 HWSPTJVOLXAMRZ-KUHUBIRLSA-N 448.545 0.608 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 758856200 TYJDYSAEQQIEAH-UHFFFAOYSA-N 449.880 0.863 50 20 ICGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)CC2)nn1 759266523 OCCJWTORDUACTI-UHFFFAOYSA-N 438.448 0.942 50 20 ICGD CCCc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n(C)n1 763530850 JEWZORIOLYFOAZ-UHFFFAOYSA-N 441.536 0.671 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 763681539 ZAGFWGXVKUNPKD-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)c1 763753777 JSETUJZDLXOPFM-UHFFFAOYSA-N 425.489 0.985 50 20 ICGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 763917585 YPAZBVHKVJQDHE-UHFFFAOYSA-N 427.808 0.918 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2ccccc2C(F)(F)F)n1 764424244 GWNZVOYFWVMZIV-ZDUSSCGKSA-N 441.366 0.701 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Br)cc2F)n(C)c1=O 764817061 IPZIFPUDRASQAS-UHFFFAOYSA-N 437.229 0.486 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 765586408 SWAVCXFLOCMLBM-GFCCVEGCSA-N 436.450 0.488 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 765727203 GDIDRLKSTIFBCR-LNLFQRSKSA-N 434.562 0.885 50 20 ICGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 766273885 AOGSIXNECNAJON-HOTGVXAUSA-N 437.522 0.330 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@@H]1CCS(=O)(=O)C1 766556221 PNGNECJCZUGJTG-NXEZZACHSA-N 432.861 0.350 50 20 ICGD Cc1nn2c(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(C(C)C)nc2s1 766712974 OHOXVQXHDOYGIY-UHFFFAOYSA-N 443.493 0.120 50 20 ICGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 769767549 PNQQAYXXFDXZGK-CHWSQXEVSA-N 446.620 0.956 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)nc21 770368323 LCDKTZBNJMBDQG-UHFFFAOYSA-N 439.480 0.434 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cccc(OC)c2F)c2ccccc2c1=O 770773173 FPBCJOUKKWCBJA-UHFFFAOYSA-N 427.392 0.964 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1 771317865 GTSWLBRIGRHIMT-UHFFFAOYSA-N 448.432 0.370 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 771608535 UXIHWADJUAMVSC-UHFFFAOYSA-N 428.810 0.580 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 772347640 PBWYPGTXHLGCPF-UHFFFAOYSA-N 427.461 0.868 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1NS(C)(=O)=O 773888900 MNZRWZDVZXNKLA-UHFFFAOYSA-N 438.437 0.914 50 20 ICGD C[C@H]1C[C@H](C(=O)NNC(=O)Cc2ccccn2)[C@H](C(=O)NNC(=O)Cc2ccccn2)C1 775837750 OGTLBPFSDUXVDW-GJWQZFMSSA-N 438.488 0.219 50 20 ICGD CCOC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780832500 RACSQCJDSPUOEF-UHFFFAOYSA-N 428.511 0.467 50 20 ICGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 780851124 NSAIFYNEJHDTKL-GOSISDBHSA-N 436.534 0.927 50 20 ICGD COc1ccc(C#N)cc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783264370 NWAIXTVRDNKTGV-UHFFFAOYSA-N 432.462 0.730 50 20 ICGD CC(C)OCCOCc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428968 ZVQBBRAADBCSQA-IBGZPJMESA-N 427.523 0.765 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1csc(N2CCOCC2)n1 784295238 UYZKSAVLCYQLLZ-LSDHHAIUSA-N 449.533 0.182 50 20 ICGD CS(=O)(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 794263055 HWZQFSYKSQWUFT-OAHLLOKOSA-N 434.426 0.234 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 798337599 VURLKZRLZYYHOM-UHFFFAOYSA-N 427.504 0.460 50 20 ICGD Cn1nnc2c(C(=O)NNC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)ccnc21 801165111 ODJSDGQALRSOEY-UHFFFAOYSA-N 442.911 0.596 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)Cc1cn2ccccc2n1 801798265 UASUPWRSTRKAIJ-HNNXBMFYSA-N 444.517 0.964 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 807019516 DKPCLOVGCHLLNK-UHFFFAOYSA-N 442.819 0.647 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccc1OC 807379428 ZOULFXMCAJATQK-UHFFFAOYSA-N 427.527 0.328 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 810007779 PZXKYTKNAIREKE-UHFFFAOYSA-N 432.462 0.109 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 912920913 GNUGHRSRLYJXMN-RHQZKXFESA-N 448.564 0.999 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 913401040 WOTDNICACRVOGG-UHFFFAOYSA-N 428.426 0.519 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN4CCC[C@H]4C3)nc2)CC1 916573739 OHYNMPAWSCURTB-HOTGVXAUSA-N 437.570 0.271 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1OC 917251132 RVWRHBJOYUHLOT-UHFFFAOYSA-N 442.881 0.882 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)cc1OC 917717199 BDVRTLFDTXRMIU-UHFFFAOYSA-N 437.474 0.972 50 20 ICGD CN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 918002101 QAOKYCOHWRMEEA-UHFFFAOYSA-N 432.506 0.582 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 920240363 RELXHRHSZCIRCE-KRWDZBQOSA-N 432.568 0.597 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCC(=O)N(C)C)cc1 920852705 XXJZFBAYFKEZRZ-FOWTUZBSSA-N 438.488 0.936 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1116475707 CVWDLVHGUOJNDP-UGSOOPFHSA-N 427.479 0.141 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccccc2c1=O 1248586859 WRIVRVSRYFWWOL-UHFFFAOYSA-N 439.476 0.352 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297102 RDQLSAUMQCDULA-YWZLYKJASA-N 449.584 0.276 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1781219635 WDAUXWABSCMYGW-TYILLQQXSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnc1)C2 1782208978 DZFMHFBRSCMCRG-XMSQKQJNSA-N 447.536 0.347 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783545814 LRYRHEZAKOHKTN-LDHQQMMRSA-N 447.919 0.980 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586286 XBOONWYGGIYYLC-BEOLPSPNSA-N 443.504 0.518 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783870696 FTLYEAKGLNGBQN-LDBYXDLTSA-N 441.956 0.861 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1784016097 XADMYVWNTRGGSL-ZNZDAUKMSA-N 449.907 0.723 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784617913 QFEULPMBFOXXTP-SJWGOKEGSA-N 437.928 0.686 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645173 SIGYCEJMCUTGLG-VOAKCMCISA-N 425.345 0.042 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1792788007 FRZZTIRWYPMXRR-RCLSDMTESA-N 438.289 0.360 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccc2nc[nH]c12 1796678645 WCVDUCHUSJVILR-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD CC1=CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1797132154 XUKZSRBPVKYJNX-OAFZBRQQSA-N 427.505 0.635 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c(F)c1 1797251159 GZOXNJJYDQGRHP-QOIYZWAUSA-N 428.888 0.956 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)cnc1Cl 1798046152 KZKJHZKOWVTBDD-FVCICTRLSA-N 447.659 0.071 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)c1 1798087976 WLYMTHBKSALBCB-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCCCC1)C2 1798439208 OQKJEXOAGSLXJL-BJWYYQGGSA-N 428.537 0.813 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2)[C@H](F)Br 1799347870 YNRSKKTZTOAYCW-JKJDWNRSSA-N 429.286 0.870 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1800978402 DEBXJBXEIPWBOU-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 1802333293 MSSRUINFTLXVRP-GGPHIMKMSA-N 439.520 0.892 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1805557765 MCHKJRQSSXQMER-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809507453 BLJWUWYCRKOQKQ-JEWRLFTDSA-N 438.488 0.171 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)Cn3ccnn3)C2)CC1 1810205534 GVCNYAOEANTIEQ-LFVJCYFKSA-N 440.508 0.643 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298472 IOLCKSVYIZULED-YJBOKZPZSA-N 448.487 0.447 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cncn1 1813073159 HWIVJJIONINVCV-SYNHAJSKSA-N 442.524 0.313 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360544 TUWZKCUIDKOEMN-WFASDCNBSA-N 444.322 0.850 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)C2CC2)[nH]n1 1819401741 QJVACRPTATZMFA-HNNXBMFYSA-N 425.449 0.693 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)nc2cccnn12 1820143663 AOOXMXUKKKLHCG-TZMCWYRMSA-N 445.867 0.718 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cncnc1)CC2 1826080590 SYPPUPTVPNEHCF-CYBMUJFWSA-N 431.522 0.461 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052028 MVOMUJKWRZOLEY-PLTNMMHCSA-N 448.394 0.758 50 20 ICGD O=C(CC1(O)CCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1827335735 QHHILQKMHCMYFY-CQSZACIVSA-N 429.307 0.354 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959274 FOEMXTGYEWPFSG-QWQRMKEZSA-N 446.342 0.143 50 20 ICGD CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830546330 RGHUKQGQLSUPOD-MAUKXSAKSA-N 434.375 0.814 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727879 JAIAYFXLMDQZSQ-LAUBAEHRSA-N 449.891 0.610 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020128 NSCUCCQSCSXERQ-SJORKVTESA-N 438.308 0.131 50 20 ICGD Cc1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1831774712 AAELIMCEXNLODM-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833619849 IUZAKNDRWXZYDW-VQIMIIECSA-N 437.859 0.872 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682384 FWHOQNYSMFVAIW-KDOFPFPSSA-N 445.358 0.508 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n1 1836062834 XOBSKBNADHRLOL-ZWKOTPCHSA-N 433.336 0.655 50 20 ICGD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)NC1CC1 1836717367 VFXSDGLXADPDNZ-CWIOURORSA-N 427.929 0.420 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836754481 ODKKVFLFAAQUFC-FQEVSTJZSA-N 426.558 0.375 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1837521245 STSNTGREPXSJDC-UHFFFAOYSA-N 435.525 0.968 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711648 MOUYDVCNAZPYKY-BEFAXECRSA-N 429.590 0.161 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1838784975 BZMMJPPSSCMTBQ-PBHICJAKSA-N 429.945 0.765 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c1OC 1838841967 YHHNKDFRVWRQSM-GOSISDBHSA-N 448.303 0.973 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839144881 MWKBNTRMACOADM-MGPUTAFESA-N 439.896 0.956 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839146322 NPJHZYDZMWOZSV-BMIGLBTASA-N 439.822 0.911 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839149444 GWPMULBRUDUHIN-KKXDTOCCSA-N 436.336 0.205 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202787 PNWARDXARLWOSG-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839967404 LJIQNQWZUGKLPB-FQRJBHLQSA-N 431.327 0.509 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840153348 LJYABNUEGQJOPC-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1840155451 CFYPMYUZLSZTIB-UTKZUKDTSA-N 438.908 0.888 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012986 WYJGQAYHYRMOEX-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD COCCCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038199 CRRCLBCUAUGSSB-UHFFFAOYSA-N 431.537 0.963 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ncon1)C2)NC(=O)NCc1ccccc1 1845039178 NOXWDRYADUAGIO-UHFFFAOYSA-N 427.465 0.233 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847567708 BUTUKBGTGNRTOL-VSZNYVQBSA-N 425.888 0.674 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)CC1 1847945039 HICAYPADACTDSQ-LNMJFAINSA-N 428.294 0.161 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1 22617162 FCMQLNNKBZBHDT-UHFFFAOYSA-N 431.478 0.131 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 726764571 IRZDQXAXOHGMAM-UHFFFAOYSA-N 440.459 0.758 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728957369 SCZDCMZWVVBQCX-UHFFFAOYSA-N 445.501 0.574 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456492 ONGZVLYYOPFNQX-UHFFFAOYSA-N 435.510 0.510 50 20 ICGD COc1cc(OC)c(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 731044689 SOHITTRDRFAFFD-UHFFFAOYSA-N 441.448 0.875 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308020 QVGONKBJJONTHC-LSDHHAIUSA-N 427.548 0.429 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733337214 BSXUJNRSXFYSNZ-UHFFFAOYSA-N 428.474 0.925 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(N3CCNC3=O)ccc2F)c1 737767299 UTSGKXZKHLJQEG-UHFFFAOYSA-N 449.464 0.680 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 741660281 JVGAPAGMHMLYLP-UHFFFAOYSA-N 429.458 0.850 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCOCC3)CC2)cc1 745996414 WRUMSNLLXZKEBD-UHFFFAOYSA-N 438.506 0.363 50 20 ICGD O=C(COc1ccccc1CNC(=O)NNC(=O)Cc1ccncc1)NC[C@H]1CCCO1 747496218 TYBGVURRAKDHAL-GOSISDBHSA-N 441.488 0.829 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc[nH]2)c1 747663999 VUKWNNIYDUOVDU-UHFFFAOYSA-N 449.533 0.957 50 20 ICGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 749220223 KIDILEKRRWKATA-UHFFFAOYSA-N 426.433 0.888 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNc1cccc(S(C)(=O)=O)c1)OCO2 753839704 MUFIZRFNJHWTPA-UHFFFAOYSA-N 435.414 0.687 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1 755257649 DVZPQCKIROLTLK-KRWDZBQOSA-N 442.538 0.316 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)Cc1cc[nH]n1 755268170 DFTWEDWOFUULQS-ONOODXEBSA-N 437.547 0.812 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2cccc(OC)c2O)cc1 755861797 IMOVJTJPLKTBLP-UHFFFAOYSA-N 430.417 0.699 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)CCc3ccccc3)cn2)CC1 756547313 ARKWKDFWVQFKOF-UHFFFAOYSA-N 446.533 0.949 50 20 ICGD O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757248396 ODXXXPQYGBEWJK-MRXNPFEDSA-N 440.522 0.611 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC[C@H]1c1ccc(C)o1 758041089 WIJABBXZSIBWQH-AVGNSLFASA-N 430.483 0.335 50 20 ICGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 758061044 RLGFFPLYBKCKAV-UHFFFAOYSA-N 448.501 0.031 50 20 ICGD Cc1cccc([C@@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)c1 758688000 VQZNQDBLCHAJFT-QGZVFWFLSA-N 426.477 0.732 50 20 ICGD C[C@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)N1CCN(c2ccccc2)CC1 758689098 RJFAEPFDEVAGMH-MRXNPFEDSA-N 425.493 0.561 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cnn(-c2ccccc2)c1 759791560 XIYJCRWMLNWDER-UHFFFAOYSA-N 441.469 0.642 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnc(Cl)c1Br 760065007 OSRZDAGZJXPDNE-ZCFIWIBFSA-N 428.696 0.896 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1C 763206680 UPACDXRZTQBQKT-UHFFFAOYSA-N 427.342 0.992 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 763443063 WYNLNNUEWRZTGE-UHFFFAOYSA-N 441.444 0.869 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C1=O 763532771 VSZHQSINNKQOEL-BUXKBTBVSA-N 440.501 0.342 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 763624734 ZYRNHJIVMRTFLS-UHFFFAOYSA-N 426.351 0.884 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccnn2C(C)C)cc1 763738035 SBFSNLRIVGNIGH-UHFFFAOYSA-N 436.494 0.179 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763802814 HMTXVJAGCGEZCO-UHFFFAOYSA-N 430.373 0.475 50 20 ICGD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763880548 HLIBAKKDKXULKS-UHFFFAOYSA-N 442.476 0.531 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764155215 WUPFRALXBLKIOU-QGZVFWFLSA-N 431.470 0.629 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c2ccccc2O1 764369799 JNFIWFFBMIGCLD-OAHLLOKOSA-N 449.366 0.773 50 20 ICGD COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)C(=O)NNC(=O)CO)c1 764421411 NXSKBZLIUZTMJV-UHFFFAOYSA-N 438.849 0.751 50 20 ICGD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764430608 WWDWJJWGUUTDTP-CYBMUJFWSA-N 430.255 0.738 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 765973360 HDRZOAFOINWTLR-LBPRGKRZSA-N 438.428 0.401 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(C)(C)O)ccc2Cl)C[C@@H](C)O1 768262782 YITCPDPLMKMYNZ-PHIMTYICSA-N 433.914 0.670 50 20 ICGD COCCn1cc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)ccc1=O 768280293 YAAFLSSBOFSJGO-UHFFFAOYSA-N 441.444 0.977 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1OC 768468835 PMOLCJKXOBAKBX-UHFFFAOYSA-N 430.442 0.974 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cccc21 769266293 NILSRCNCMAVUTA-UHFFFAOYSA-N 441.400 0.669 50 20 ICGD CN(C)N(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 770265686 RZDHHQRTJWKIAL-LLVKDONJSA-N 439.353 0.959 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 771994905 UFXREFYMUOOKCX-LBPRGKRZSA-N 431.467 0.039 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 772095953 HFRIONASRHJGSM-ZBFHGGJFSA-N 425.507 0.718 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)CSc2ccccc2O)nn1 773496802 OVFZFANNAGOSJJ-UHFFFAOYSA-N 427.446 0.555 50 20 ICGD COc1ccc(Cn2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cn2)cc1OC 779391345 DTDLGNZYXSPXOW-UHFFFAOYSA-N 438.444 0.535 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=c1cc[nH]cc1)c(=O)n2Cc1ccccc1 780754840 CITQJPNDFCJXIJ-UHFFFAOYSA-N 449.471 0.015 50 20 ICGD CCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)c2ccccc2)CC1 781306312 ROSACKKQHOMPLH-INIZCTEOSA-N 436.534 0.837 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)cc2)c2ccccc2O1 782830050 CTYBKRLLZFAHMC-QGZVFWFLSA-N 426.429 0.474 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 782896404 IAGFLCNVMCFKPZ-UHFFFAOYSA-N 447.473 0.459 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 787540961 HKWGILUCRZXHLC-UHFFFAOYSA-N 428.493 0.932 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 787542562 NSNFTUAVWJHQKZ-UHFFFAOYSA-N 427.417 0.395 50 20 ICGD Cc1nc(C)c(CCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(O)n1 789372802 AXUAIZIIMADEKL-UHFFFAOYSA-N 427.870 0.494 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 792268182 KHNVNQIELGLHPW-SFHVURJKSA-N 446.467 0.905 50 20 ICGD C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 795553000 SOQCEJFWWWZHPY-NSHDSACASA-N 433.446 0.454 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)c1cnn(C)c1 797163180 XUYLOKGSBYJHLB-AWEZNQCLSA-N 431.453 0.509 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O 802064194 IORMXGRZTPTXCA-LLVKDONJSA-N 437.478 0.496 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 802117588 VMFCAWMYNJWBAA-ZDUSSCGKSA-N 439.900 0.682 50 20 ICGD Cn1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc2ccccc2c1=O 802762855 NXJAGGMVVBAQSW-UHFFFAOYSA-N 447.495 0.758 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc(C2OCCO2)s1 807092630 DWONHBTYMKBINH-UHFFFAOYSA-N 445.501 0.408 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(C(N)=O)c(Cl)n3)CC2)cc1 807094153 UPHNKXCEGMKNTD-UHFFFAOYSA-N 444.923 0.721 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 808045617 OGQGXSURIHDOAF-HUUCEWRRSA-N 427.498 0.905 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 912608226 LKVZAJQUPMIOCN-PRRIXCOJSA-N 427.457 0.807 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913429761 ZELFDDSZEMSFSP-UHFFFAOYSA-N 445.501 0.773 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 913538392 MOVRTEUGWRSUNZ-UHFFFAOYSA-N 435.893 0.895 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n2nnnc2C)c1 915684885 KDHDFWPJISJGJE-QFBILLFUSA-N 438.444 0.761 50 20 ICGD Cc1nc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cs1 916254846 SEVOJRMUBGHBHE-UHFFFAOYSA-N 439.567 0.651 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(C(N)=O)cc2)c1 916530586 FCOHFABNGFUXAQ-UHFFFAOYSA-N 447.517 0.960 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F 920051164 NQEGMOPWIRUVLG-UHFFFAOYSA-N 425.398 0.656 50 20 ICGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)NCC(F)(F)F 920211930 YQQXQYBSGGHBGE-SSDOTTSWSA-N 427.361 0.932 50 20 ICGD C[S@@](=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 927716740 FDOIUUMGZHRGAE-NOVUIFNWSA-N 432.454 0.709 50 20 ICGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)Cc2cccnc2)c1 1251623990 QMDJEHWZLFGXTI-UHFFFAOYSA-N 427.280 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778589052 ISBJWFNBFJEFFW-NRFANRHFSA-N 428.493 0.379 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1779030192 IMCCRKMXZSJKEK-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1780705905 BNIFPLQVEKNWQS-OCBCSQNSSA-N 449.335 0.288 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781102190 JJMWGUREOXJYBA-SNRMKQJTSA-N 435.396 0.689 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(F)c1 1781492636 QWSPCMOHBTZYTB-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781839901 QCGNODFZLMNVSB-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)C2 1782176207 XWDLAXGIGLOHHQ-XHBSWPGZSA-N 444.834 0.860 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)no1 1783534601 WWPKSAUXSIRLFH-SJKOYZFVSA-N 443.298 0.326 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3c(Br)cnn3C)CCO2)C1 1783874044 BWWDWBAADRCSHX-BLLLJJGKSA-N 449.733 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1783932782 FHRYUGXXKBOOBG-QFIPXVFZSA-N 446.935 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1783934174 BIOONVZAMBAHEC-QFIPXVFZSA-N 427.505 0.984 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1784615611 UMQIOPZWZMKKKP-GVRJEKJASA-N 437.990 0.701 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634963 VRDUAKHYNRFXRK-XPCVCDNBSA-N 442.310 0.852 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)NCc1ccco1 1788719880 AUGKNWJIKLKRQA-FPPRRWAXSA-N 427.860 0.966 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CCC1 1791282598 MFUFFVUMENBLKQ-CYBMUJFWSA-N 436.472 0.569 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3)[C@H]2C1 1791802746 LVYSNUKOBNHIKR-UKZVOZDVSA-N 447.561 0.996 50 20 ICGD COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CCC1 1791851672 MRPZSGGEMOSPRJ-WBAXXEDZSA-N 445.520 0.238 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1792868009 NKEXMYYCPYRNJK-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1795111585 YGBJNWGQNAXGOD-FVCICTRLSA-N 441.326 0.509 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3cn1)C2)c1ccc(B(O)O)cc1 1795736251 RMZFYOOGBKOIGJ-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796141247 UCWBKWFLIRZGQV-OXIQGZBJSA-N 428.283 0.870 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796187915 LLLDQYIKDBFLDD-XWCCPHMRSA-N 428.294 0.208 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2[nH]ccc12 1796206790 YYVGGJGHPLEEMZ-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C[C@H]2C[C@H]2C1 1797632503 MWCCPOBPWDSOEU-DRVOEKJOSA-N 428.371 0.947 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1799270429 ZESIVGKSUVQZDB-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)[C@@H](O)C1 1799980137 SGWLZPUBHHRWSM-OHQCYIMMSA-N 445.944 0.452 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800519750 ZBMIHQIYWJJBEC-YACYFGNPSA-N 432.427 0.727 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802190255 ADVUZUCXDBRFPM-ODRBZYGGSA-N 444.536 0.196 50 20 ICGD O=C(NCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1ccc[nH]1 1803142450 WTTXOEWGZKVKHB-SZVBFZGTSA-N 447.923 0.835 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1 1803652068 DWQFWVBAHWFYSW-SWIMNWDESA-N 437.280 0.973 50 20 ICGD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804692957 XUBZVRWQPWGKAK-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nccn2C)[C@H]1c1cccnc1 1805898585 UQBVWSYXOWTZDB-QFBILLFUSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncs1 1805972135 HWZIXKWENGDDAY-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807047487 GFMWKRYPMXWGHM-GJYPPUQNSA-N 435.601 0.532 50 20 ICGD CCc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361781 CZGGCTJTABPEDM-UWJYYQICSA-N 448.288 0.945 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810296034 ZNEFWHVLMXSFBH-SNRMKQJTSA-N 440.504 0.417 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1 1810302964 NYUFDHKXNGDPIJ-OXQOHEQNSA-N 448.487 0.296 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1813179406 VNJIKLBOPPQHKI-WBMJQRKESA-N 425.272 0.816 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCOC2)[C@@H]1c1cccnc1 1813556134 MCSPAZGPVOBSLN-MDZRGWNJSA-N 438.488 0.436 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815768881 FVQXATLGTMXXOA-STQMWFEESA-N 436.545 0.851 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2O)[nH]n1)c1ccc(B(O)O)cc1 1817472656 YIBILWYFTGMUCL-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cn[nH]c2)[nH]n1)c1cccc(B(O)O)c1 1817473852 CNDZVJADICPCNY-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCO2)[nH]n1)c1cccc(B(O)O)c1 1817474684 GIBAJKVGEGPYKL-MSOLQXFVSA-N 426.282 0.965 50 20 ICGD Cc1ncncc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087497 FSDVCOJMOYAKGR-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD O=C(CNCP(=O)(O)O)N[C@@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1 1826096030 JGECUCLYVWBUAW-ZCFIWIBFSA-N 431.238 0.584 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827056302 VOLDGIRBSSOFMB-AZUAARDMSA-N 441.337 0.126 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538485 GOGIOWHXDMRKHG-MEDUHNTESA-N 430.303 0.214 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830736910 XTKDJSRTDGNROW-ABGJEJFVSA-N 438.908 0.765 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165963 TXXWOUIBTYSDBH-GXTWGEPZSA-N 446.342 0.933 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1832285997 PIFBSUMMXGNUBN-KDOFPFPSSA-N 448.358 0.342 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833083850 QIFIARBZVRRWEJ-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513968 XZRWRUFREOEITC-GJZGRUSLSA-N 445.358 0.840 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834309252 QTQHNGCAWBQNSO-RHSMWYFYSA-N 427.299 0.720 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834824600 IGTXHSHNGZDXQG-SFHVURJKSA-N 438.956 0.674 50 20 ICGD CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835659031 RBZHNQOIXZDRPR-UULLZXFKSA-N 436.018 0.971 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)o1 1836025579 MXGIYRZUPHUWGY-SJORKVTESA-N 435.308 0.613 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1836469067 KOPBAOZURZOAEV-KSSFIOAISA-N 429.832 0.457 50 20 ICGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717014 DNNBCPSJWOLFAP-HNNXBMFYSA-N 434.990 0.069 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944367 KHSNHJCREMPHIR-MGPUTAFESA-N 436.896 0.887 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837038408 HFMZAYFEKXBAGV-KXBFYZLASA-N 440.859 0.372 50 20 ICGD Cc1oncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837507420 OPSCYVNICWYWDA-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1837956162 JVAXHYXSFDIVLL-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1 1838364271 MFYZLDRRAYUNPS-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1839962497 HSZOGUYAAAXZJK-KBXCAEBGSA-N 448.358 0.531 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1840155637 FWMMQIFNQIWROP-YLJYHZDGSA-N 442.944 0.290 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(Cl)c2)C1 1842246910 SYMTYKSVEYKANN-UHFFFAOYSA-N 430.852 0.570 50 20 ICGD CN(C)c1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843015085 GNCPMBIZFBQTNM-UHFFFAOYSA-N 435.333 0.882 50 20 ICGD CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039402 LZQYFHHHTMWXDN-UHFFFAOYSA-N 444.536 0.062 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1846072729 OMFIASRQTPNPLT-LSDHHAIUSA-N 440.342 0.834 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 111213804 NNISIMYCVGGMJK-NSHDSACASA-N 433.442 0.746 50 20 ICGD N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871915 SHAVKGSYDNTHTA-UHFFFAOYSA-N 427.421 0.309 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(Cl)cccc2Cl)n(C)c1=O 727793489 MLKCJCLVEUPTCB-UHFFFAOYSA-N 425.232 0.202 50 20 ICGD COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728381186 ZTKNNMOBDSQUCP-GFCCVEGCSA-N 439.519 0.259 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)c1 728742889 SUJPGHXLBZTLBG-UHFFFAOYSA-N 429.271 0.651 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)[nH]c21 728972255 JMFHUKUOBHXWIZ-UHFFFAOYSA-N 442.404 0.434 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 730321778 NBQQDQFQTPQDTI-WFASDCNBSA-N 437.474 0.219 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)o1 732061729 MVPBRBFSIQDMFL-LJQANCHMSA-N 449.552 0.596 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 732261682 OLKSAKGCOWVVLC-HOTGVXAUSA-N 441.550 0.896 50 20 ICGD CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 732409293 SWOIJHDBAUNASU-UQCOIBPSSA-N 427.373 0.367 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)COc3ccc(C#N)cc3)ccc21 735646685 HBEZKWIPINNSTQ-UHFFFAOYSA-N 435.440 0.423 50 20 ICGD O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NNC(=O)c1ccc(F)cc1 741753726 OQPFYQQANPRXMB-IBGZPJMESA-N 442.447 0.713 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742034912 ZRGFOXLHWZVPGE-LLVKDONJSA-N 439.494 0.182 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)cc1 744394555 FJQNLGWFCJHCCK-UHFFFAOYSA-N 426.521 0.386 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cn2)CC1 745482699 OUISSAQVIUJFED-UHFFFAOYSA-N 443.464 0.982 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 746098933 QXTBTBIUSDEPCI-INIZCTEOSA-N 442.859 0.960 50 20 ICGD Cc1cc2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(C)n2n1 746927806 WIXVOOOFECOBNC-INIZCTEOSA-N 425.401 0.490 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CC(=O)N(C2CC2)C1 750654758 GLYJSPLBNKPWGK-CQSZACIVSA-N 435.506 0.178 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1Cl 751282542 NFARUINAAPUACB-UHFFFAOYSA-N 447.878 0.604 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 753025972 SBBMLUJMOPQKBK-RNODOKPDSA-N 433.465 0.515 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 755602438 DRRLYJQUJLFOMW-UHFFFAOYSA-N 442.432 0.799 50 20 ICGD Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNc2ccc(C(N)=O)nn2)c(C)c1C 757403804 FWXBAEJRIJGFOK-UHFFFAOYSA-N 434.522 0.929 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnc(Cl)c1Br 760064989 OSRZDAGZJXPDNE-LURJTMIESA-N 428.696 0.896 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1[N+](=O)[O-] 763206659 SQBGHICXFLDNPT-UHFFFAOYSA-N 442.313 0.892 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n(C)n1 763511893 IYNFEGPQVZIIIA-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763996990 HREGAWYHRVBIDV-GFCCVEGCSA-N 449.514 0.457 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764169027 SALZQGDNSODRHU-QGZVFWFLSA-N 442.384 0.846 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NNC(=O)CNC(=O)c1cccnc1 765473298 WKZUOQIVOYAFNM-HNNXBMFYSA-N 431.493 0.996 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC2=O)c(OC)c1 770975398 WXINTSSVPMHULA-JTQLQIEISA-N 427.421 0.582 50 20 ICGD Cc1cc2c(N3CCC[C@H]3C(=O)NNC(=O)CNC(=O)c3cccnc3)ncnc2s1 771046023 QOYXYFXRJWMWJQ-HNNXBMFYSA-N 439.501 0.941 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c2ccccc2c1=O 772569241 SMVITEMLGOSXGZ-UHFFFAOYSA-N 449.449 0.554 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccnc(O)c2Br)cc1 773633717 SOCQXWIRNSZADP-UHFFFAOYSA-N 433.218 0.968 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nc1C 778421725 RHWABCHREJZMOL-LLVKDONJSA-N 439.498 0.122 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)c(OC)cc1Br 779846278 LQWXSHBWSFAQCD-UHFFFAOYSA-N 430.664 0.777 50 20 ICGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1=CCN(C)CC1 781396615 PKMBUEPMRSTBFX-OAHLLOKOSA-N 437.570 0.294 50 20 ICGD CNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 781933009 CVTNABMQNMSYSQ-UHFFFAOYSA-N 427.465 0.024 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ncnc3ccsc13)CC2 783254169 ZNNWZLLALBIDCK-UHFFFAOYSA-N 432.487 0.632 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 783426618 ICJIYMDIXUMNHG-QUJCMNEKSA-N 442.513 0.576 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(F)c1 783428583 WDRBVNAYCWLENT-GOSISDBHSA-N 429.470 0.918 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 783702002 FYBZQBIXHSFNPO-UHFFFAOYSA-N 438.485 0.989 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C1CCN(c2ncccn2)CC1 784395025 RPGZSZLZBURRAI-ROUUACIJSA-N 442.520 0.282 50 20 ICGD COc1ccc(C(=O)CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 784625873 KESNRGZRSDMQDK-LLVKDONJSA-N 443.478 0.193 50 20 ICGD Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 787560997 TWRKAHJRXDIZBX-HNNXBMFYSA-N 431.927 0.939 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 790587069 TUEWIAYVXVSDQR-ZIAGYGMSSA-N 432.440 0.924 50 20 ICGD CCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 794856842 LNSZDBDVXCHECI-NSHDSACASA-N 436.943 0.849 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)n1 798117879 ALKQVFCOEOTQKN-UHFFFAOYSA-N 426.474 0.290 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 798304520 YCSQXANPBLQART-CQSZACIVSA-N 427.508 0.819 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)COc1ccc(F)cc1 798307266 MTWREHOZCWWHOV-UHFFFAOYSA-N 427.410 0.330 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)n1 798492246 BLAYZVNOEDCNHM-UHFFFAOYSA-N 442.929 0.852 50 20 ICGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 799520620 GZEJTLNVHNRAFU-UHFFFAOYSA-N 426.472 0.890 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 801006355 XJJHMMQGOUGRLH-CQSZACIVSA-N 429.433 0.020 50 20 ICGD CCc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1S(=O)(=O)N1CCOCC1 802025150 UEVWAXLQJXFCHX-UHFFFAOYSA-N 433.490 0.553 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)cc1 802064175 HWVZANMPIVMZLZ-UHFFFAOYSA-N 426.476 0.345 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)cc1Br 806976729 KZIZMAIRJWXPKX-QMMMGPOBSA-N 436.259 0.417 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)Cn3nc(C)cc3C)C2=O)c(OC)c1 807577833 KQIATIPSWFHIDW-QGZVFWFLSA-N 444.492 0.649 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812541717 BJQYFUMSSGKOMG-UHFFFAOYSA-N 433.509 0.788 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1CCc2nncn2C1 816871826 VAFHRIUGYHJGHZ-CYBMUJFWSA-N 449.489 0.013 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNc1ccccc1 823328042 XZOBSZBWLRRJEH-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)s1 849194027 SIAXCISQNIZCFL-CHWSQXEVSA-N 449.576 0.039 50 20 ICGD O=C(NCc1ccnc(N2CCOCC2)c1)NNC(=O)c1nn(-c2ccccc2)cc1O 914544891 QHSWDDQZDYHHQK-UHFFFAOYSA-N 437.460 0.954 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=S)NC1CC1)N(S(C)(=O)=O)CC2 916125549 OXOVPXFDOICTNU-CQSZACIVSA-N 442.563 0.610 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 916504210 ZDAWOMOYIQAXME-UHFFFAOYSA-N 429.525 0.940 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 916649976 YREYVPASGLKCNK-AWEZNQCLSA-N 436.494 0.769 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C\c2cc(Br)c3c(c2)OCCO3)c(=O)n(C)c1=O 917622986 IHNMVTSSIZOTGH-YHYXMXQVSA-N 447.245 0.990 50 20 ICGD O=C(COC(=O)c1nn(-c2ccccc2)cc1O)NNC(=O)[C@@H]1COc2ccccc2O1 917947718 GJQORPFKRPHWSG-KRWDZBQOSA-N 438.396 0.722 50 20 ICGD CCOc1ccc(C(=O)CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 919885843 OCEBTCHCUCQFAW-AWEZNQCLSA-N 441.506 0.964 50 20 ICGD CS(=O)(=O)NCCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 920420441 XPQAVHGRBAQZFK-UHFFFAOYSA-N 428.474 0.635 50 20 ICGD Cn1ccnc(NNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1=O 1116200590 SLSSBPDLRPKUON-UHFFFAOYSA-N 437.386 0.597 50 20 ICGD CC(=O)N1CCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1317853927 UUVWZNNXNGLKMF-UHFFFAOYSA-N 437.522 0.426 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCC=CO1 1779342190 JIYJWSMUVZLLSZ-WOIUINJBSA-N 428.294 0.187 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779418254 UMOCMXNBKRCVQD-UEUZWJPTSA-N 431.917 0.629 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CC(c2ccccc2)=NN1 1781447456 YTKKSAAAHRMWDL-PSHVLCQKSA-N 448.951 0.866 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781860756 XMTWVGKENVNUCH-RIPAZEOFSA-N 425.869 0.186 50 20 ICGD Cc1ccc(C)c(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1783289497 LGZRQFLFFXQFIV-XMMPIXPASA-N 436.317 0.669 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783354434 ABSIKYIWCIIOIN-SUMWQHHRSA-N 433.347 0.363 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783354626 DGUUADBRZKYAFA-IINYFYTJSA-N 444.248 0.668 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784584630 PSXRJRBLWPXITM-OYHNWAKOSA-N 441.488 0.600 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787499156 VREHGXZRAOCDHN-NMUGVGKYSA-N 437.349 0.572 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788245461 OLGUDWLIICOJAP-VJANTYMQSA-N 442.988 0.538 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)Cn3ccnn3)CCC2)cc1 1789522514 IFHJMOKJQXOGQH-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790580151 QRSPHGHXUSZMFW-QPSCCSFWSA-N 441.326 0.254 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2)[C@@H](O)CCl 1792975369 RGFIGVFQHDSIDG-FSDCSDTHSA-N 435.908 0.595 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CBr 1792987295 MSMPKZCVRMTFGQ-YHQUGGNUSA-N 438.388 0.983 50 20 ICGD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1795464888 IBWJVMTXFPLDIH-INHOUBOVSA-N 432.427 0.550 50 20 ICGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1C 1795733030 ZCOMKCJFKPGQHB-JHDGKUDLSA-N 436.317 0.429 50 20 ICGD N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737831 XZDPHYYUWMOWGS-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CC(c2ccccc2)=NO1 1796187974 QICPRBOLVFTOAG-XAPVIXHLSA-N 447.300 0.811 50 20 ICGD Cc1cccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)[nH]c12 1797371770 MXRSHPXCMMCGCG-OPMZPASUSA-N 447.300 0.673 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797711022 QKSXGTBVKUNZOD-IHOOKRKJSA-N 445.520 0.283 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797814893 BWEYPIAAFHGXKU-WYZRLVBSSA-N 436.278 0.796 50 20 ICGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)CC1 1799275430 XNSPVRJAMSINDK-LORHWOILSA-N 435.396 0.450 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347003 HJSCXYUPVKBVFG-TUBUOCAGSA-N 435.319 0.293 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800673839 VGDFOEYPAXFETK-LYIQGSDWSA-N 438.294 0.791 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804182289 AYWLTHFDWYEERU-RHSMWYFYSA-N 435.912 0.904 50 20 ICGD C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C1(O)CCC1 1804834009 HDPSTYMATNNSLU-QGZVFWFLSA-N 428.338 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1807127036 MQXXVTVBNCTRJL-KXBFYZLASA-N 449.581 0.477 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2(F)CCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374329 JRKLEOAPQCIZKB-PKOBYXMFSA-N 425.269 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@@H]1c1cccnc1 1808777298 DFUUCGIAPKUZKM-WWMYMODYSA-N 444.536 0.081 50 20 ICGD COc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809967758 KBKYSFRQOISFDT-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1 1810294471 LMFYNVHKHYKMJO-QAVIERHMSA-N 438.488 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cccc(F)n1 1810754487 RXDXNBISKUHMCN-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1811465829 QWENRPUNMGVQBQ-KKSFZXQISA-N 440.504 0.875 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1813030038 CXKCOXAZSHIQJL-HBFSDRIKSA-N 437.972 0.589 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cccn1 1813075200 XRCWAGYKXAPFHI-PLMTUMEDSA-N 441.536 0.918 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@@H](CNC(=O)C(Cl)Cl)[C@@H]2c2cccnc2)N1 1813076005 NBCUPUFLJCBYMN-GVXVVHGQSA-N 428.276 0.489 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1)C(Cl)Cl 1813077802 LSMQFCPSTDXZSA-VBQJREDUSA-N 431.320 0.542 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)Br)CC2)C(=O)O 1815086370 IMJLDSJPXYEIFW-NQMVMOMDSA-N 433.328 0.901 50 20 ICGD O=C(Cc1ccccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340294 HWWMACURQFMWJP-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD CC(C)N(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347776 OGGUGNUVIPJYDU-HNNXBMFYSA-N 430.339 0.389 50 20 ICGD COC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792985 FUUGJPBAJQWLHT-GHMZBOCLSA-N 432.506 0.650 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1ccc(O)nn1)CC2 1826004618 OQCSEUANQOYVPB-ZJUUUORDSA-N 441.897 0.884 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826781700 NFEQQXYKSJKDTJ-QGZVFWFLSA-N 432.355 0.226 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830544433 YFVVBAOOEMLVQD-DVOMOZLQSA-N 441.750 0.728 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831197345 MQPSAHLCBZHPPF-GOSISDBHSA-N 448.358 0.534 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831861697 JUNSGQMXONTGOS-CXAGYDPISA-N 429.315 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712422 CYUIFDDHLPRGHN-APWZRJJASA-N 443.953 0.884 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832830774 JNMITNUGGCQPLX-HNAYVOBHSA-N 429.876 0.209 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(O)n3)CC2)CC1 1834199531 VJIOSWLAPQAOKE-UHFFFAOYSA-N 446.552 0.345 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411436 HFGWCXXFNALNKW-QZTJIDSGSA-N 436.336 0.302 50 20 ICGD Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)co1 1837476963 BVBDUVCQWSCAPS-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202395 DVLODYOZTISVLI-UVRXNYFOSA-N 436.278 0.173 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1840437533 RDHVPKCJNFWCNZ-XLIONFOSSA-N 442.944 0.290 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130776 MJKAUAIKSSWBQS-UHFFFAOYSA-N 426.571 0.507 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c2n1 1843695609 OSVBVHKLYOYYSH-UHFFFAOYSA-N 448.487 0.475 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1846384467 WLJDGSBRRBCIBB-UHFFFAOYSA-N 444.536 0.108 50 20 ICGD COC(=O)[C@@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 15466235 XOOSBYVFMRDORD-SFHVURJKSA-N 433.486 0.856 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc(S(=O)(=O)N(C)C)c1C 17195178 BFTACSVWPGKXKQ-UHFFFAOYSA-N 443.485 0.865 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 29065521 FMPGNYRUMYSTEM-UHFFFAOYSA-N 437.928 0.350 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc2c1OCCO2 726151547 GQIVFGHBYCLDCX-UHFFFAOYSA-N 441.849 0.842 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C3(C(N)=O)CC3)cc2)cc1 731597419 ROBHSNCPHKUUCW-UHFFFAOYSA-N 444.513 0.842 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)c1 733662812 PNEJQJYIGCFVSG-GFCCVEGCSA-N 434.540 0.094 50 20 ICGD CCc1cc(NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)nc(-c2ccccn2)n1 734356894 MQPCQHGNSYQHIX-UHFFFAOYSA-N 432.444 0.804 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)cc1Br 735028102 MYLUOLFSGCNELO-JTQLQIEISA-N 440.341 0.746 50 20 ICGD CN(C)N(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 735993737 MHYKKQDCAQOAPG-ZDUSSCGKSA-N 435.955 0.986 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)CSc2ccc(Cl)cc2)CC1 737065246 OQRMTWIXFHMMOY-UHFFFAOYSA-N 441.941 0.843 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](NC1CCOCC1)C(C)C 740749356 WBIAJZAMNFKXLC-HNNXBMFYSA-N 425.555 0.842 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 742481556 ZFLPPYMUKPTXDP-RGCFKVTRSA-N 445.472 0.796 50 20 ICGD CCO[C@H](C)c1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)n1 744412805 SOMGFSSRXQKSRM-CQSZACIVSA-N 434.472 0.885 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744566836 DETSTKIRCNQPCA-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nn1)OCC 748546650 KMWXFULEKSOYTH-UHFFFAOYSA-N 429.437 0.643 50 20 ICGD O=C(NCCOCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1 752755895 BXUSPIFOTHTHBO-UHFFFAOYSA-N 448.339 0.259 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)n1 753851824 SUFPCJJADAJYJZ-UHFFFAOYSA-N 430.421 0.920 50 20 ICGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 755956102 JWSMKQGXKFOJKG-UHFFFAOYSA-N 427.446 0.515 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756400194 CJLGGCPCCWSNLM-LLVKDONJSA-N 430.508 0.057 50 20 ICGD CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 757289209 JXKNTEXXCJOZOT-HNNXBMFYSA-N 425.555 0.859 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 763999323 VNBYSRPHNDGNTE-MRVPVSSYSA-N 441.359 0.287 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764006941 WBLLOOSJYSKMRC-UHFFFAOYSA-N 428.401 0.714 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 764071943 ZKZVYMVDNIAGJC-UHFFFAOYSA-N 428.493 0.416 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1C(=O)OC 764130836 AMHXGBPOEHIAFN-UHFFFAOYSA-N 443.412 0.597 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764394900 WNWQCKVNPBQGOG-UHFFFAOYSA-N 432.458 0.525 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 764426412 UPUIVCPDLIHGAJ-OAHLLOKOSA-N 428.449 0.173 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 767286523 FKZSTCDNNNBAEU-UHFFFAOYSA-N 443.481 0.715 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CCN3CCCS3(=O)=O)n[nH]2)cc1OC 768276608 LIYVRYFZNYCJMZ-UHFFFAOYSA-N 437.478 0.281 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 768641659 VFFUTLMXQBGCBE-LLVKDONJSA-N 439.581 0.603 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770638372 YVPPFJYQEUCVCV-HNNXBMFYSA-N 437.522 0.702 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 772971425 ZRRMEWPGUMQUEJ-LLVKDONJSA-N 439.877 0.828 50 20 ICGD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1(C)C 780233448 GSGNTIPOLGUREI-QUJCMNEKSA-N 447.554 0.667 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782837508 NHWHCNTVMCRDHQ-UHFFFAOYSA-N 442.428 0.415 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 794732455 VSGOUJTZOAQKFD-UHFFFAOYSA-N 429.524 0.709 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCCc3nn(C)cc32)CC1 799099829 FLQXBDNSIKOKQU-AWEZNQCLSA-N 433.538 0.314 50 20 ICGD N#Cc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 800491301 OLEKQIUBBLAXDJ-UHFFFAOYSA-N 443.485 0.452 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098002 XJWHIZNUAPSURT-OAQYLSRUSA-N 437.412 0.962 50 20 ICGD COC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 804124757 SPDIDRVEMPZKFT-UQTJOTSZSA-N 433.508 0.109 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 804867281 NMPDYSNTSHASHV-SNVBAGLBSA-N 436.416 0.409 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 807456068 VSNOMYDPZFCLJR-UHFFFAOYSA-N 444.452 0.979 50 20 ICGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 808066212 TYZDJBHOSHUNLT-UHFFFAOYSA-N 442.475 0.906 50 20 ICGD CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 808258062 VGIPCBJJHGZUSV-ZDUSSCGKSA-N 443.526 0.132 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(C(=O)OC)c1 815565733 XZNWFIBKJUYNDN-UHFFFAOYSA-N 440.412 0.656 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 817213939 ODSRNISLTMABPR-HUUCEWRRSA-N 426.451 0.464 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@@H](C)CN2CCOCC2)CC1 914555011 FYKWJYLSPCYOMD-ZDUSSCGKSA-N 426.543 0.252 50 20 ICGD CC(C)N1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 915896846 FWUSHCCSEKIKGG-UHFFFAOYSA-N 439.586 0.517 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)cc1 919954868 WODONOUQZDXIKF-UHFFFAOYSA-N 437.503 0.502 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)C2=O 920094215 ABHZPMHQFPSTSJ-GFCCVEGCSA-N 433.424 0.688 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cncn1-c1ccccc1 1327238115 KULMQFVPYRQCDI-KRWDZBQOSA-N 431.460 0.922 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777783983 CJRVFDYWJKXJFQ-IFXJQAMLSA-N 436.900 0.438 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C)COC1)C2 1778091324 AHDGEPWGIHPCBJ-JBQOLUAXSA-N 445.520 0.671 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 1778091392 YGMABUBBBGQQHF-HWDJQBOSSA-N 445.520 0.405 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1779036982 LBTALRSIJKEDSO-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)c1 1780863697 VGMLLSANLJNBRY-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cnc[nH]1)C2 1782214029 IQPYUOTVDQZLST-PAXTWUASSA-N 432.525 0.310 50 20 ICGD Cc1cnn([C@@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c1 1782516272 PFARHUWHDOHAGM-NJNPRVFISA-N 448.568 0.639 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1783877002 DECBRFPHGDRHQD-UGSOOPFHSA-N 433.839 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(-n4cncn4)c3)CCO2)C1 1783879776 AUQGKWHLSAHKFM-YLJYHZDGSA-N 433.896 0.965 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1784364441 SMYBWKDWJGZRKQ-YTFOTSKYSA-N 432.359 0.912 50 20 ICGD C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)NC(=O)OC(C)(C)C 1787465347 SHOAUWRYFISYCU-CWVYHPPDSA-N 447.960 0.869 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504043 SSCKWXWNRXROIL-VOAKCMCISA-N 443.346 0.330 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)c3ccco3)[C@H]2C1 1790615125 HCGHAKWSGPZZGP-XIRDDKMYSA-N 448.231 0.345 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791644931 AXIROVZZWOEBSI-QPSCCSFWSA-N 428.331 0.679 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1792872067 LDAWNPJUXNWECP-OVZMXSCWSA-N 443.298 0.182 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2ccccc2[C@H]1O)c1cccc(B(O)O)c1 1793181546 WYVISKGASVEGHB-QGAVKGNSSA-N 448.328 0.914 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793613219 MUMRSYABIREHPO-GWLLULGVSA-N 432.304 0.127 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794092031 FPCCCRYTDKGMEO-FQUUOJAGSA-N 436.372 0.138 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C)O1)C2 1796441881 CZHUZIUPXAGJDW-VPTYIUOZSA-N 431.493 0.278 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797690238 AFBWHNILCZZSHG-XGFWRYKXSA-N 433.347 0.315 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442802 FYHOUVNHPWNCPQ-FQUUOJAGSA-N 433.465 0.499 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1799272300 LQSYQURMBAZHKS-OQMKEHIESA-N 426.857 0.364 50 20 ICGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800642919 CBXHESCJNCYMQM-GFQSEFKGSA-N 435.388 0.234 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)Br)c(=O)nc1O 1801967320 AZSJSEHZRQKAJC-FVCCEPFGSA-N 427.299 0.679 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@](C)(O)CC(=O)O 1802324307 LPMLIVAYMNTYLG-PPFVGVKLSA-N 447.492 0.374 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Br)C2 1802846857 IHCOMFZKHHTPJS-OTJKUPJXSA-N 440.342 0.879 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccns1 1805217401 FYAUWKUMXOQIEQ-QFBILLFUSA-N 436.302 0.851 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805719369 ZZYGQYQQJDELIN-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807104237 FQYPFGORVKTEIA-APWZRJJASA-N 449.276 0.273 50 20 ICGD CCc1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1807361534 QWZXTMFKOQRKHH-UWJYYQICSA-N 448.288 0.945 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361536 IRAWGAFXQQPAFK-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)nc1 1807677177 NLHKACNQTQXONR-MRXNPFEDSA-N 443.953 0.930 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813074369 QCZDIOHCZLGKJK-PGRDOPGGSA-N 441.536 0.437 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815580844 BZXPVZKHWUMPNS-SFHVURJKSA-N 441.297 0.264 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)[nH]n1 1822372850 OZOYUCYBQYOOBN-QEJZJMRPSA-N 429.905 0.807 50 20 ICGD Cn1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cn1 1822834082 PMLIHPRDVSOQGE-GOSISDBHSA-N 436.281 0.372 50 20 ICGD CCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080705 UREMCYUKDCIOQT-GFCCVEGCSA-N 433.538 0.958 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1 1830219574 WYEUYRLGALLWHI-TXPKVOOTSA-N 430.860 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831826898 APBXYNBVOPYIAU-HUUCEWRRSA-N 428.917 0.412 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805987 YYIHUMDBSNQPIO-KBXCAEBGSA-N 443.342 0.830 50 20 ICGD Cc1cc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833979784 PAMZQHPVWPKNGG-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccccn3)CC2)CC1 1834127717 NLCRWBPAJXGUCL-UHFFFAOYSA-N 430.553 0.640 50 20 ICGD CC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736925 KPGXBMWMXCUFMN-UHFFFAOYSA-N 444.536 0.240 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cccnc3)CC2)CC1 1837420746 NNNNVZMDCFRHKD-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1837713221 PTNLKJUWDQRULR-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820850 DLFQDYUFYLGZJF-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1837884272 FAGVNJZXIPHESI-QGZVFWFLSA-N 443.617 0.899 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199743 STGLAISYBHMAFS-WBVHZDCISA-N 448.264 0.910 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351844 UUEHBOKAEQCXFA-OXQOHEQNSA-N 439.896 0.109 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1O 1839425693 ZSBRHVSRSOCOON-FOIQADDNSA-N 442.896 0.461 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c(O)n1 1840034427 KYGZLOYJABNEHI-ACJLOTCBSA-N 442.310 0.949 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840036556 OAVKGVZIXTZFEO-HKLFFYFNSA-N 433.343 0.777 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cc3ccccn3)CCO2)C1 1840335594 OYRWPUATXQUKJP-DJPFJPOOSA-N 439.940 0.970 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1843416137 DNQMQAZWVWQNEW-FOKLQQMPSA-N 443.382 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1ccc3c(c1)CCO3)C2 1844265313 PYLLSVFVXDIQKR-UHFFFAOYSA-N 435.484 0.680 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2ccccc2=O)C1 1844365139 UTTMXZHTZLIIST-DTVDJLOLSA-N 438.488 0.747 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 14204073 IUBPJUNSXBZBIQ-UHFFFAOYSA-N 430.421 0.217 50 20 ICGD C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1=O 16231282 SVZITKAHRLIBJI-ZDUSSCGKSA-N 435.440 0.899 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1 731176411 STNBYIGIIRBRHV-UHFFFAOYSA-N 434.518 0.785 50 20 ICGD O=C(NNC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 732755942 ZIWACSHBVKQOBS-MRVPVSSYSA-N 444.413 0.079 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccn(-c3ccccc3)n2)CC1 735118851 YTKGWRDXZVZGNN-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD Cc1ccoc1C(=O)NCCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 738449314 CCAWPBYGRQJQRS-UHFFFAOYSA-N 436.494 0.645 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741185718 PCAIYUXITFIYFW-HNNXBMFYSA-N 444.513 0.943 50 20 ICGD COc1cc(OCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] 744872812 KRAHTTKIVXFDBI-UHFFFAOYSA-N 428.357 0.858 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] 745616753 BNKXIVWAYCJXNN-KRWDZBQOSA-N 444.400 0.562 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 745813275 ACPSDESEDPXQMQ-MRXNPFEDSA-N 442.542 0.577 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325930 KSWUNAYAOMZOPN-LBPRGKRZSA-N 425.442 0.297 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1C 747728022 RQIRWFULWFJPOY-CQSZACIVSA-N 439.472 0.786 50 20 ICGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)ccc1Br 748241282 SVXUNEDAWXYDBH-LBPRGKRZSA-N 437.294 0.880 50 20 ICGD O=C(CCc1ccco1)NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 748327530 KTFYUNMQQQNAHJ-UHFFFAOYSA-N 446.489 0.836 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 749488252 UZWFIBRKDKKMJK-UHFFFAOYSA-N 440.499 0.585 50 20 ICGD Cn1c(N)c(C=NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(=O)n(C)c1=O 749815733 QQAGVXFUOFNNLN-HXUWFJFHSA-N 446.511 0.743 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 752520557 BTBUZZOYIBWDNM-UHFFFAOYSA-N 436.469 0.201 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1Br 756155739 SNXAWMLQABBULT-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)C(=O)Nc1ccccn1 758909035 ZBYCZEKLESPLNW-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD Cc1ccncc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763509326 RQDIWZWNGFNPLP-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O 763548615 NYLFMSWDNDTLPM-UHFFFAOYSA-N 434.430 0.211 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 763624964 QAJXNOCMMOBHEA-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 763640306 WVTPZHFELFOWGB-UHFFFAOYSA-N 426.351 0.877 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 763958795 FCGAUFAEYBNWJO-UHFFFAOYSA-N 434.478 0.393 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 764125158 SKXJZWOFPLQPRR-UHFFFAOYSA-N 448.501 0.664 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2)CC1 764167416 ZFFMGDSCEMZQPH-UHFFFAOYSA-N 441.488 0.315 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 764398500 SUNIXUZPVLAICR-ZDUSSCGKSA-N 432.433 0.978 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 766636134 KBWUVIDLHSGKOI-IBGZPJMESA-N 439.582 0.035 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 767959247 ITHKGHIHJNPOPI-UHFFFAOYSA-N 448.505 0.110 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)CC2 768229250 AMTAJRFHKGHILU-UHFFFAOYSA-N 427.373 0.888 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)nc21 770399806 IHRSIWPWEINQPU-LBPRGKRZSA-N 426.437 0.375 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C(F)(F)F)n1 773529652 FNJYDHVYBLSZON-UHFFFAOYSA-N 437.338 0.730 50 20 ICGD COc1ncc(/C=C/C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 773763238 NWXJDPJQRJTZKJ-BQYQJAHWSA-N 431.474 0.744 50 20 ICGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777941248 QRBLSAKJOLBVTR-UHFFFAOYSA-N 445.450 0.094 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1 778914533 MBJHCRQHZNCRPK-UHFFFAOYSA-N 442.881 0.547 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 779373488 PJZIGDVIFUARAZ-NSHDSACASA-N 426.886 0.926 50 20 ICGD CCn1nc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1C1CC1 783264372 NYDYKWKMUWETOJ-UHFFFAOYSA-N 435.510 0.944 50 20 ICGD O=C(NNc1cncc(Cl)n1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 783266039 LIIJEIVACIAJQQ-CQSZACIVSA-N 446.851 0.226 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CCS(=O)(=O)C1 783427989 SBQRDABTLQFUKU-XIKOKIGWSA-N 445.925 0.892 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(OC[C@H]2CCCO2)c1 783429035 ZGEAEXKYFNMGLV-KUHUBIRLSA-N 425.507 0.689 50 20 ICGD CN(C)c1nccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 784968676 CLLFWYYJDYLOOW-UHFFFAOYSA-N 447.521 0.799 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 788231798 LIUQBOSUUYORQN-ZDUSSCGKSA-N 444.469 0.866 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1[nH]nnc1-c1ccccc1 797742195 FINRUZXOGMXTIC-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)C(=O)Nc1ccccn1 810528403 UJEYVESZUYHZBK-UHFFFAOYSA-N 446.272 0.453 50 20 ICGD CN(Cc1ccccc1S(N)(=O)=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 814328003 OUTNFDOTMFKFOT-UHFFFAOYSA-N 449.489 0.433 50 20 ICGD CCc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 914750240 OKGIYPNKBZXNFM-UHFFFAOYSA-N 435.506 0.387 50 20 ICGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 916580341 OQHXKKZUSGEIOD-UHFFFAOYSA-N 432.499 0.328 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cc([N+](=O)[O-])ccc1I 920435879 OQNWBSOUSLAXJF-UHFFFAOYSA-N 432.174 0.583 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cn1 1318568843 JCJFIOJURIURDG-CQSZACIVSA-N 441.897 0.068 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1321911281 ZMDLJSPVXOATCD-HUUCEWRRSA-N 436.509 0.956 50 20 ICGD CN(C)N(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1330178459 WMZBIYIIGHEILT-SNVBAGLBSA-N 440.341 0.202 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cc1 1357619024 DQYGOVSKSDNPBK-ZDUSSCGKSA-N 428.470 0.969 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc12 1778496760 QNBBEXLRYFNOJZ-XMMPIXPASA-N 447.300 0.913 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779214701 YNSGTLYFIVPPST-KEYYUXOJSA-N 428.331 0.775 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779696920 IJAQYXVYMXDVMN-QMTMVMCOSA-N 440.884 0.556 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1781092589 FMYFSHCFRQXCJG-FXAWDEMLSA-N 426.634 0.304 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781998175 OWHVISCEPJMPKF-SFDCBXKLSA-N 433.347 0.731 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3onc4ccccc34)C2)C1 1782345517 WMYOOYLJVGQMGM-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnc2c1 1782488294 ORHZPYSAYQRXQI-HSZRJFAPSA-N 448.288 0.080 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn(C)cc3c1)CCO2 1783937318 ROTLLQDKZFBBPF-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C[C@@H]21)[C@@H](O)CCl 1784091884 FJAIWPPOWQXZKY-UHMUHUCWSA-N 437.880 0.301 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3)C[C@@H]21)c1cccc(B(O)O)c1 1786981906 GBIQHWBDUPGLLU-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD COc1cc(C)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1790000248 QRAHDQHYRYDMGC-VDGAXYAQSA-N 446.548 0.970 50 20 ICGD Cc1cccc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790150891 YWYLNOQOFHDNEJ-JBACZVJFSA-N 436.317 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(Cl)n3)C[C@@H]21 1791288803 VQAXFCLMNIFGIQ-OBJOEFQTSA-N 427.889 0.294 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791296873 VTAJALDYWIHEGT-AYGWYOGXSA-N 440.324 0.613 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792254086 MNDDCJUXSPDYOS-VGWMRTNUSA-N 447.960 0.871 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1792870650 HRHDOOFIQJACAJ-AQDIXCGQSA-N 440.342 0.898 50 20 ICGD CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796045716 LXVRYMFTRFUEJV-QDMKHBRRSA-N 427.509 0.219 50 20 ICGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)cn1 1796890027 VGLHPQRNVPYPMT-SSJPOKSSSA-N 439.476 0.871 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(F)(F)C(=O)O)C2 1798440174 GEDGHBZLIJDRNU-JGPRNRPPSA-N 425.392 0.047 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)cn1 1799347313 LDERUONGAFONSZ-ZMJPVWNMSA-N 444.257 0.762 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2)[C@H](F)Br 1799347871 YNRSKKTZTOAYCW-QRJUGERDSA-N 429.286 0.870 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1800640861 JJKKWBDPKRGOOX-HLPPOEQASA-N 443.342 0.906 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1-c1cccnc1)C2 1800978828 LNXUQEFOZYNYIS-FZKCQIBNSA-N 433.896 0.929 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1802898383 WADDIEOBOZJRPD-YOEHRIQHSA-N 435.912 0.904 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cnc(Cl)nc3)C2)CC1 1804670833 DOVVJYHDJKYTPQ-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805532492 MTCCIBDZSYQLEH-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373228 PQVOUTYTYIXFMT-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD NC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)c1ccccc1 1809881713 ZKEXGGOOFJITCY-QFIPXVFZSA-N 449.360 0.954 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966620 IJLMQGMAEDXFRZ-UHFFFAOYSA-N 439.296 0.988 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2F)[C@H]1c1cccnc1 1810306174 VEJVJCPBMCFWBF-IKICRFKJSA-N 426.452 0.758 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1cccnc1 1812846268 YRHXSOCYYJZIRX-MNEFBYGVSA-N 438.488 0.579 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1813071807 XXODQKLCLZWKJQ-DYESRHJHSA-N 440.504 0.408 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813600078 UMFDPUOENQQBBW-UGKGYDQZSA-N 438.337 0.421 50 20 ICGD C/C(=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)O 1815362028 YXILKAZKAHZKMT-SZNGSJQDSA-N 429.263 0.080 50 20 ICGD Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cnn1C 1816563689 AEEOCBDJJKQHBX-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCBr)n[nH]2)C(=O)N1 1816782165 PUKACVBUGODKOG-LLVKDONJSA-N 441.286 0.739 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)CN)CC2 1817279953 MRJBKJRYQCJTRG-CRBXYRESSA-N 431.522 0.784 50 20 ICGD CC(C)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817442880 JEMFCKMAVLXCQR-SFHVURJKSA-N 427.314 0.784 50 20 ICGD Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)n[nH]1 1821501424 VPUVYHYEPQEIQP-JTQLQIEISA-N 440.489 0.713 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nccnc1C(N)=O)CC2 1826003244 JERXSZFKPALIBL-RKDXNWHRSA-N 438.897 0.512 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1828243973 XMIVVXGDIPCCQB-IONNQARKSA-N 448.979 0.515 50 20 ICGD Cc1ccc(OCCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719231 AWJPABPDTVCXNA-NQIIRXRSSA-N 440.924 0.820 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727795 FSGJLMKFECZCOO-MGPUTAFESA-N 436.896 0.312 50 20 ICGD O=C(c1ccc2nccnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728582 VLODRINYCKFYOP-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)[nH]n1 1830732689 VOALYLCWTYDOQK-IFXJQAMLSA-N 428.917 0.377 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831830240 NOTDRJQFJDXODQ-RTBURBONSA-N 436.745 0.854 50 20 ICGD O=C(c1cccc2ncsc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837067994 NBGDPMPFYZEJSC-KXBFYZLASA-N 439.921 0.966 50 20 ICGD CC(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460688 JCPATQUZPQHLIG-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837646017 LBIMKCMCISPLRE-LPHOPBHVSA-N 439.589 0.222 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1 1838519561 VFDDRDPUKYTZQA-DNVCBOLYSA-N 429.901 0.485 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839178325 WFYDMZCBYLWZKM-UPWIVDSGSA-N 442.321 0.183 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1839290244 DGXHFAREBIMSMG-APWZRJJASA-N 430.860 0.504 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c2c1 1839486322 UAECUSJNNROKSK-OXQOHEQNSA-N 447.879 0.104 50 20 ICGD CCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839854747 VWBLOJRRBGYLEW-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839964483 SQBCWRFUYLFHCS-QAPCUYQASA-N 443.342 0.593 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840030971 BMOWQDDSFMSRPG-GUYCJALGSA-N 427.299 0.638 50 20 ICGD O=C(c1cnn2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188601 SLUNECDVICWZGK-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1nnc(C)s1)C2 1843415725 GAKOKTSKESUBSI-CIAFOILYSA-N 429.506 0.726 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844333614 SWGQKUWRASGQFQ-QWHCGFSZSA-N 438.326 0.972 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncccc2C(F)(F)F)C1 1844530483 WWSAZMRKXAZXSI-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)Cc2ccccc2)C1 1846065053 FTSSGYFMAVULKK-PTFSYIGCSA-N 437.500 0.927 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2c[nH]c3ccccc23)c1 17524134 UZVDFNGCVYLLME-UHFFFAOYSA-N 443.485 0.609 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1OC 23914638 YQVWUNVAKFKIOO-UHFFFAOYSA-N 431.268 0.769 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 726597817 IIQDCZMAVWYGRB-UHFFFAOYSA-N 438.912 0.835 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 728180992 YQBLMBNJCRLZSV-SNVBAGLBSA-N 444.362 0.764 50 20 ICGD CC(=O)N1CCC(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 729623571 HFFNRAKXLQFESL-UHFFFAOYSA-N 439.538 0.204 50 20 ICGD O=C(Cc1csc(N2CCOCC2)n1)NN=C1CCN(CCN2CCOCC2)CC1 731559173 TXMREHLSQXARRW-UHFFFAOYSA-N 436.582 0.422 50 20 ICGD O=C(COC(=O)C1CCN(C(=O)N2CCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732326403 VZPCZYYHOXPXKF-UHFFFAOYSA-N 447.448 0.827 50 20 ICGD CN(CC(=O)NNc1ncnc2[nH]cnc12)S(=O)(=O)c1ccc(Br)cc1 740745917 FOVOKULFQKNJCO-UHFFFAOYSA-N 440.283 0.879 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)CCCc3ccccc3)CC2)cn1 741275290 LYNVPQAKJPIYPO-UHFFFAOYSA-N 448.549 0.927 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCOCC1 743529867 YLDAANYECUAUIA-INIZCTEOSA-N 427.527 0.783 50 20 ICGD CC[C@@H](OC)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 744313970 WTQUQHVRULKMNX-LSDHHAIUSA-N 443.522 0.525 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2Cc2ccccn2)c1 746093953 OXUSPXKCJYGMBW-GOSISDBHSA-N 431.518 0.758 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)CCOc1ccccc1)N1C(=O)c2ccccc2C1=O 746185722 PMNMYXKFCQFIAX-QGZVFWFLSA-N 438.440 0.533 50 20 ICGD N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCC(=O)NCCO 746226310 LYPYKRXHVCFETI-NTEUORMPSA-N 444.879 0.211 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CC1 746745535 YEXMSDWTBIVJLX-UHFFFAOYSA-N 449.515 0.795 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)N1CCCC1 748247674 UMMFXWQSBLKWBF-UHFFFAOYSA-N 448.545 0.346 50 20 ICGD Cc1nc(Cl)cc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 748334001 IQNOOPLLNQSZPA-UHFFFAOYSA-N 426.886 0.562 50 20 ICGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2ccc(Br)s2)C1 753004446 RCQKLMNISXZZHO-QMMMGPOBSA-N 425.330 0.736 50 20 ICGD CC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOCC1 753549731 HPIIPKDHVLLLAS-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 753659612 GYFDJHASXTXWNC-ZIAGYGMSSA-N 428.511 0.465 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)nc21 753668987 ITRJEIJRIHATMW-SNVBAGLBSA-N 426.503 0.195 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1S(=O)(=O)N1CCCCC1 756286990 NVEWXXWJFICCCY-CYBMUJFWSA-N 444.535 0.449 50 20 ICGD CN1C(=O)CCc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 758055283 NQPGTSXYRCWDCV-UHFFFAOYSA-N 430.486 0.921 50 20 ICGD CN1C(=O)CCc2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)ccc21 759611760 ZZYMHFXRJSSKHP-UHFFFAOYSA-N 449.511 0.815 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc2ccccn2n1 760031925 LMRKUVRTTUFQBD-UHFFFAOYSA-N 445.461 0.217 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1I 763185410 FUVYBVBEESRPFH-SECBINFHSA-N 438.243 0.496 50 20 ICGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 763438536 AOPVLCKCNKGOPE-UHFFFAOYSA-N 426.495 0.820 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1-n1nnnc1C 763624688 ZCCUBHQTZBPSSE-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 763662281 WYIODUNQRIBTGF-UHFFFAOYSA-N 430.442 0.904 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 763663722 YJBIUQOWXKJIPV-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 763665340 FXNHEZVMOZSCFF-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 763665553 JTWUCTLQOMGHFV-UHFFFAOYSA-N 449.427 0.621 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2O1 763675485 XKYMGWZJIGXPDA-QGZVFWFLSA-N 438.396 0.052 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1C(N)=O 763737380 XDOFBONKOQYYNJ-UHFFFAOYSA-N 437.865 0.721 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1OC 763912773 SWNLIDWPWGWIQX-UHFFFAOYSA-N 439.432 0.778 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)cc1Cl 763999307 VGRVKBVDFMXJBL-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 764002223 KHJUEBCRHJMKPA-CQSZACIVSA-N 445.501 0.660 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764003453 DJOMWMIVUCTRNH-UHFFFAOYSA-N 443.412 0.799 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764168829 RFSNVIKZTBACDB-MRXNPFEDSA-N 435.433 0.460 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1scnc1C)CC2 764246528 JQMOILWDRHXPLF-UHFFFAOYSA-N 437.503 0.100 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)ccc1C(N)=O 764279661 ASRLLBHPSUYXSP-UHFFFAOYSA-N 435.234 0.962 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)cc1Br 764325910 ADUAFVIWSQQZRG-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 764398313 DZIJQOQNUOHRFU-ZDUSSCGKSA-N 429.433 0.471 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764400933 RGMRDGZKXWDPHV-ZDUSSCGKSA-N 426.433 0.558 50 20 ICGD CC(C)NC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765323808 JRCIEXPAZVQALA-UHFFFAOYSA-N 443.501 0.178 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNc1nc2ccccc2c(=O)n1C 765541564 SWZWJXXYPNWKCU-GFCCVEGCSA-N 426.458 0.615 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766649783 KFVUCBNNGSTMMA-UHFFFAOYSA-N 447.536 0.895 50 20 ICGD O=C(NCCc1cscn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 769194312 BGSPXUCOKARPOQ-UHFFFAOYSA-N 439.519 0.351 50 20 ICGD Cc1cn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cnc2s1 775888807 CGIFNVMOPBQLNG-UHFFFAOYSA-N 431.386 0.591 50 20 ICGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 777905567 MKSSJDQEHNSYFX-AWEZNQCLSA-N 430.552 0.682 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 782896956 KZMZVRWTVPERER-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD N#Cc1cccc(-c2csc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)n2)c1 784002029 JIWCHBCYXPSHEY-UHFFFAOYSA-N 438.425 0.791 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 784847582 JWFZKUXGRMCENQ-STQMWFEESA-N 431.453 0.004 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNc2nc3ccccn3n2)C1=O 792331384 XWHDRJDKNODDLO-UHFFFAOYSA-N 437.420 0.371 50 20 ICGD O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 796990211 USROZFXFKKWZFS-UHFFFAOYSA-N 434.434 0.856 50 20 ICGD C[S@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 798120907 BSZASKNIPYIDEF-NDEPHWFRSA-N 442.563 0.716 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2S1(=O)=O 798309577 IQIGZJKMKQAZMM-UHFFFAOYSA-N 444.469 0.868 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 800629150 MPPQAOPVZKRAMC-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 803470486 YLILKHZCIZYTLW-QFIPXVFZSA-N 436.424 0.269 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)c2C1 803839127 QWQZKDRWRMQRFW-OAHLLOKOSA-N 427.461 0.508 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C(=O)Nc1cccc2c1CNC2=O 806979002 PBWDYSYZJTVYDK-UHFFFAOYSA-N 433.218 0.798 50 20 ICGD Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1=O 807004438 MFVGEWAAAQQBHH-UHFFFAOYSA-N 443.435 0.052 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1F 813689291 IHPIRAFFZOZIQF-UHFFFAOYSA-N 426.289 0.686 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1cnnn1C)c(=O)n2Cc1ccccc1 814746268 SXDRHGYQLVFQOT-UHFFFAOYSA-N 449.475 0.097 50 20 ICGD CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)C1 815778517 VGCNOEQTPARVNZ-IAGOWNOFSA-N 431.493 0.118 50 20 ICGD CNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 819681559 YXAQOOYUDAECKB-XLXASQRYSA-N 435.550 0.799 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)c1ccncc1 865906992 LVGGLVGPTINBDZ-UHFFFAOYSA-N 435.185 0.737 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 871013397 RYQRRVXAZZPEIO-UHFFFAOYSA-N 439.266 0.840 50 20 ICGD CC(=NNC(=O)c1sc(N)nc1C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 874111517 PBBHEKFVPYXBPD-UHFFFAOYSA-N 425.492 0.941 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2F)c1-n1cccc1 914445195 QBBCVYOVIXHUKP-ZDUSSCGKSA-N 431.449 0.998 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 914470536 KMUXCGOGOLBHJE-LLVKDONJSA-N 435.499 0.050 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c2ccccc2c1=O 914846229 DKBUFVUOQQGNJJ-UHFFFAOYSA-N 447.473 0.896 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCCC1 914848833 CFXVGPUGAXIWEP-OAHLLOKOSA-N 431.536 0.106 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 915905951 AHUKSARJKNIPHB-UHFFFAOYSA-N 428.449 0.522 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2-c2ccncc2)cc1 916144540 DFDGKVGYVMASTJ-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c2ccccc2c1=O 920928566 QNDUMKWCDOBWGY-UHFFFAOYSA-N 435.400 0.456 50 20 ICGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 1248558393 OWCJTZOCVIVXNB-UHFFFAOYSA-N 441.492 0.623 50 20 ICGD Cc1ocnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779864924 MOXZYRWWMATFMU-DYESRHJHSA-N 427.266 0.104 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1780095199 JLOGWBRHTHXOBQ-GHTZIAJQSA-N 449.460 0.981 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333526 IBSZVSOZJMDVBP-ZBFHGGJFSA-N 431.262 0.635 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335373 YIEBSFSPSSSXNO-CABZTGNLSA-N 444.183 0.958 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1782612712 CPWIWNHSHRLHML-AHBLATNWSA-N 432.525 0.291 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(O)c3)CCO2)C1 1783936904 AEEJCCSAYDSROD-QFIPXVFZSA-N 432.521 0.528 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792120240 GVKHWANZFIEKPV-XQLPTFJDSA-N 433.933 0.481 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1792868867 TVIKJYBMVCEMPF-YNXVLUOKSA-N 431.249 0.920 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2)c1cccc(B(O)O)c1 1795737505 PBCQULHWSGSZRI-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CC1=CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1797132152 XUKZSRBPVKYJNX-GGXPGOJBSA-N 427.505 0.635 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2 1797751807 SPTPDCGMIMWWME-HBCWATKFSA-N 449.471 0.078 50 20 ICGD CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802126692 MLRKJOWLHVLUIA-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD Cc1nn(C)c(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)c1F 1809975011 NGXJUCUENTXZJT-UHFFFAOYSA-N 442.300 0.706 50 20 ICGD CC(C)(CCl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1814698794 BZUKCJPSURTHPX-HNNXBMFYSA-N 429.949 0.953 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)CN)sc2C1 1814743690 CLKAHENAKGAJEM-CRBXYRESSA-N 431.522 0.784 50 20 ICGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1)C(=O)C(=O)O 1821716110 YWDHEWGNWXJMQP-BXKDBHETSA-N 448.249 0.635 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822368363 ARROZZUOFKVYRY-JQWIXIFHSA-N 426.861 0.207 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1822370529 NUAJAZONIDPERO-RVSPLBMKSA-N 429.905 0.306 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)sc2C1)c1cccc(B(O)O)c1 1824651877 ZBYPXWYPUXOPSC-BQGCOEIASA-N 441.343 0.924 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1O 1830245423 ZIOIMAJMULWTCO-HKUYNNGSSA-N 430.860 0.934 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1830540629 QZZUOMGRYKLLHF-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873245 FLXXTHSTUJQJRR-HKUYNNGSSA-N 447.584 0.907 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1831873682 SDGLVIMVTXRYDC-OAHLLOKOSA-N 449.512 0.924 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833094562 MDAQBVRABVWGQT-WMLDXEAASA-N 429.315 0.431 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493346 AHWAKSMWSSKSEI-UWJYYQICSA-N 442.940 0.395 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1837712998 CFLXUHPGGMWMON-LJQANCHMSA-N 443.573 0.137 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715417 OTXNJRMGCRNNJW-HNAYVOBHSA-N 444.605 0.002 50 20 ICGD N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1837790208 GHNQGAAQOONCCD-UHFFFAOYSA-N 440.504 0.601 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083946 MJZVMHKYBKMOQU-NWZZKEMCSA-N 441.956 0.861 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839448720 QODJDKRTDLYVMD-RHSMWYFYSA-N 447.257 0.858 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1839898528 FCSFYFSMVMWTOP-WBMJQRKESA-N 433.299 0.179 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839961885 MCBRGXBLYSTBOM-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840031368 NQIJVIKVECYZBN-PIGZYNQJSA-N 443.298 0.466 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1840150542 MTROQBNEUIDTRE-KXBFYZLASA-N 428.917 0.361 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840155370 ZKVOZCFMFUBCJB-YJYMSZOUSA-N 444.868 0.127 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1840155486 DEMSMEDFACSAEH-UWJYYQICSA-N 440.924 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1cccc1)CCO2 1840462811 KJFFIEUXHUFHAV-QFIPXVFZSA-N 449.552 0.098 50 20 ICGD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1[N+](=O)[O-] 1843011909 JQQZLNVZYBDAMC-UHFFFAOYSA-N 437.261 0.643 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Cn2ccnc2)C1 1846610134 ZDZQBQWVZNJQTG-HXNWEGJNSA-N 425.493 0.857 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CS(C)(=O)=O 1847817053 AVAUWIBYBUVXPG-UIGWBCJOSA-N 437.522 0.003 50 20 ICGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 12804583 YUMFWKWWSYLRIY-UHFFFAOYSA-N 430.494 0.428 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)COc3ccccc32)cc1OC 104590440 HQLJMJNUZWEKDP-UHFFFAOYSA-N 443.412 0.434 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 727671415 ZPEDVUCIUUXSQU-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 728513180 SYOVAIQLHZYBDF-CZUORRHYSA-N 438.912 0.999 50 20 ICGD O=C(NNC(=O)c1ccn(-c2cccc(Br)c2)n1)N[C@@H]1CCS(=O)(=O)C1 730213028 KFYUSTPZOXGVOC-LLVKDONJSA-N 442.295 0.766 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc2ncccc12 730228205 BGRDDADUXGDTGD-UHFFFAOYSA-N 443.485 0.669 50 20 ICGD CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 730457677 KVIQWLJVOFEIPV-OLZOCXBDSA-N 448.588 0.933 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 741824810 SMWRQPRXJRMDEY-IYBDPMFKSA-N 426.429 0.428 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 741832855 ZLWJWPXTIBXQFV-UHFFFAOYSA-N 434.408 0.939 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 742075841 IQOWQZJWUUULAT-HNNXBMFYSA-N 434.497 0.789 50 20 ICGD COc1ccc(N2CCN(CCNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 743363286 QRMYLGUAPJCLQE-IBGZPJMESA-N 425.555 0.198 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2csc(N3CCCC3=O)n2)c1 744591088 NGIJPTJKKGVMBY-UHFFFAOYSA-N 427.442 0.688 50 20 ICGD COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)CC2=O)cc1 744666659 HBVJVSYXARUAHA-MRXNPFEDSA-N 436.424 0.924 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-n2cnnn2)cc1 746013483 CXBFUTFEVJKIFM-OAHLLOKOSA-N 426.481 0.788 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)COc1ccccc1O 746234571 KDGNIOXYFKOTEK-UHFFFAOYSA-N 430.461 0.535 50 20 ICGD CN(C)C(=O)COC1CN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1 752740263 MWKZUBLFKFRYSV-UHFFFAOYSA-N 425.489 0.973 50 20 ICGD CCc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C 754219526 KOWYITPLYUXBNC-UHFFFAOYSA-N 447.455 0.660 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 755088417 XYXWLUYBXVEWGL-OAHLLOKOSA-N 442.386 0.690 50 20 ICGD CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCCCC1=O 756576578 PLTNZZSHUBSJRW-CRAIPNDOSA-N 447.488 0.944 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1OC 756833949 CNALJYOZZPSIBW-UHFFFAOYSA-N 446.464 0.616 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 757403217 XJBYPBQZKAFEQD-UHFFFAOYSA-N 426.458 0.811 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC1(C)OCCO1 758854726 QANSCZSFCSCTPW-ZDUSSCGKSA-N 428.511 0.670 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)C1CC1 763564360 ZNMCCNRFGGCWPD-UHFFFAOYSA-N 437.522 0.423 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763569734 AXJMOYVEHXYKGH-INIZCTEOSA-N 433.442 0.324 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1S(N)(=O)=O 763753597 IBASAXZDHIZXOF-UHFFFAOYSA-N 433.490 0.362 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 763822118 VWWBZEJPPDHBRC-UHFFFAOYSA-N 437.456 0.958 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763862610 YPEIZAPBXCTGTI-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 763893772 ZURYKPSXCRVVCR-UHFFFAOYSA-N 427.870 0.343 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1OC 763902820 QRQMISVAXJCVGJ-UHFFFAOYSA-N 428.401 0.825 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)C1 763979645 PQABISLZANAQRQ-ZDUSSCGKSA-N 433.490 0.835 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1Br 764003104 YKCRSRDCCWKFBR-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764135457 GWPRJFMTIIGYGT-UHFFFAOYSA-N 440.456 0.496 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 764212003 OBTUAEUSTVVOKG-UHFFFAOYSA-N 437.298 0.536 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 764230774 KWZUTPJZJSMHDC-GFCCVEGCSA-N 426.495 0.422 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764354273 OVIYMCYHEYJCGK-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764424953 KXXYNPBKCWOZBY-GFCCVEGCSA-N 444.238 0.127 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 765321386 XFTUUKMCJDLMTG-UHFFFAOYSA-N 439.494 0.177 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1C 768725596 NLQKHIGOHQDXBV-GZTJUZNOSA-N 447.521 0.310 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 770951324 UFIBPKRMCHKNLV-JYJNAYRXSA-N 426.539 0.309 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)NNc3nc(O)c4cnn(C)c4n3)n2)cc1 770974285 SWXZFJZOOYDDGS-UHFFFAOYSA-N 439.436 0.740 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 771314097 CHRHZFCABHQQNC-UHFFFAOYSA-N 437.449 0.807 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)ccc1Br 776137590 GYGKORVNJMZJAR-ZCFIWIBFSA-N 443.117 0.910 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2O1 777619230 FQOZBVKIKCJBGS-INIZCTEOSA-N 448.413 0.865 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)[C@@H](C)O)cc1 779544223 IYRCPUZZYKVJDU-DYVFJYSZSA-N 441.531 0.570 50 20 ICGD CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783425133 BFZGNBSQBPQORD-LJQANCHMSA-N 440.522 0.848 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)n2)cc1 785060848 PIBJFCVFTBWPTF-UHFFFAOYSA-N 447.455 0.916 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)n[nH]1 792284097 HKRTYQGRKOVUDU-OAQYLSRUSA-N 425.445 0.768 50 20 ICGD CS(=O)(=O)Nc1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 792813854 YIGDEHISSWIIRS-UHFFFAOYSA-N 449.489 0.815 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1F 797369170 PUNSTNJERMUVPP-UHFFFAOYSA-N 448.407 0.855 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)n1 799259218 VRALCIFDNLHOGO-KRWDZBQOSA-N 442.476 0.204 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1Br 802029348 KNERHFNHGIBGBS-UHFFFAOYSA-N 442.295 0.983 50 20 ICGD COCc1ncc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 802827965 QRCINOREACQQQL-UHFFFAOYSA-N 425.536 0.983 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 807070273 LDDDXRMJIRNGJR-HUUCEWRRSA-N 437.456 0.187 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1C 810399473 UMPOZTKBGCEYGW-UHFFFAOYSA-N 427.392 0.897 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 812730642 PZMIKYYOGBPSMX-UHFFFAOYSA-N 440.547 0.786 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)n1N 813501604 FKYOPNBKWVMZIH-UHFFFAOYSA-N 430.494 0.896 50 20 ICGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 814206821 HUYLPOVRPJTBOT-UHFFFAOYSA-N 433.490 0.245 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc3nncn3C1)O[C@H](C)C2 815692469 RRNNKPRWESOVDT-NEPJUHHUSA-N 428.449 0.349 50 20 ICGD CC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 849186030 MUWGAWTVEHXUPJ-GOSISDBHSA-N 428.397 0.799 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c(N2CCOCC2)n1 873912447 JUSDIESLRRAEFJ-UHFFFAOYSA-N 442.871 0.353 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1OC 903888110 QEDLNBPTFFWHDI-UHFFFAOYSA-N 444.487 0.739 50 20 ICGD O=C(COC(=O)COc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1COc2ccccc2O1 914799230 OTGCBCZGWNHMAA-MRXNPFEDSA-N 431.357 0.504 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 918604949 WAFDZISHBBQUCW-OAHLLOKOSA-N 431.536 0.445 50 20 ICGD CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888188 ASQIZEFZNPQZTA-GJZGRUSLSA-N 425.511 0.028 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1 919961238 YFOBIGPAQVEART-VIFPVBQESA-N 426.314 0.437 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1ccnc1 920427155 MAEUWYXBGUCXFU-UHFFFAOYSA-N 435.506 0.074 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 1116093265 OYLXQIPKZJETMB-JKSUJKDBSA-N 425.530 0.827 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2)[C@H](F)Cl 1778026164 NHKBRTIPNQVBRR-UKPHBRMFSA-N 439.937 0.460 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128797 GZASBFZNTCSKKE-LDNFRZNASA-N 445.944 0.719 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780704891 XEUHPIXMTZVLJV-JXXFODFXSA-N 437.928 0.830 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937057 FEKJCJITGZSPLH-IERDGZPVSA-N 449.577 0.765 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C[C@@H]21)[C@@H](O)CCl 1784090087 QKTLDJHCIHGAHI-HBEIAFGSSA-N 442.303 0.804 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ocnc3C)C[C@@H]21 1787508683 HODGXYXZPFRPRI-RPIBGLMYSA-N 442.476 0.710 50 20 ICGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CO[Si](C)(C)C)C[C@@H]32)CC1 1788192103 ICXMSDYXJSSMFI-BZSNNMDCSA-N 426.634 0.065 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922071 BIKYDJPHGBMTHJ-XUXIUFHCSA-N 433.322 0.938 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1791255360 OMOXDKPQOHMQCG-DNVSUFBTSA-N 439.925 0.933 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793468658 MLLCKWQAUREYNT-REBRKWNGSA-N 432.359 0.769 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H](F)Br 1799349880 MPZDALKHEIZEIP-NPEIWNHISA-N 436.278 0.796 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1800639483 ZOIVZZGRMMAADG-NWJSVONSSA-N 427.299 0.862 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1803972955 UCTPSMFEZQICMQ-WCZJQEMASA-N 426.452 0.758 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nccs1 1805936863 PBIBINCGTAHSCQ-FUHWJXTLSA-N 436.302 0.851 50 20 ICGD CCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806030402 NFSVQZOBKAUDGD-UWJYYQICSA-N 448.288 0.945 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807193358 WNBOJSDYTFINCC-JJRVBVJISA-N 440.342 0.465 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1807360010 GIXPKKCAJNFQQU-AVRDEDQJSA-N 447.304 0.355 50 20 ICGD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811245204 HWOHRWNHMMUESM-MJGOQNOKSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1813030120 DQCQERJXPVYNMR-QEJZJMRPSA-N 435.868 0.856 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813032676 FLWRXJSRQYBZNP-ZOBUZTSGSA-N 431.942 0.776 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1813034337 IDUOTZABWVTBOE-LUKYLMHMSA-N 443.953 0.918 50 20 ICGD CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](Cl)COC)CC2 1824509872 RPORSLIPJOUORL-VHSXEESVSA-N 433.987 0.793 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830736980 CATIOJCSJZKRCB-XLIONFOSSA-N 439.896 0.315 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1831657684 QCSUTEMFTWXRGO-DAYGRLMNSA-N 436.958 0.428 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252146 RCCBMGWFADNILV-HZMBPMFUSA-N 448.797 0.815 50 20 ICGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CBr)CC2)CC1 1833435836 GWLMAWPTNMQFCA-ZDUSSCGKSA-N 431.375 0.725 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834667995 RJOIJJWVHHBUQG-INIZCTEOSA-N 445.992 0.649 50 20 ICGD COCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834968838 PHNILDXBQUCCQX-IFXJQAMLSA-N 449.932 0.221 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114464 NYFRIOHVBPZHNU-KBXCAEBGSA-N 444.941 0.279 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836247552 VOCZEOKJPCKQDG-DIFFPNOSSA-N 437.827 0.936 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457318 OWESPHAWTPJZSD-ORAYPTAESA-N 437.884 0.282 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837711460 JBGQVQORFRAVKE-FQEVSTJZSA-N 436.585 0.717 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838026569 SZNGTLZVYINUSP-XLIONFOSSA-N 449.895 0.141 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1ccnn1 1839155558 XCOXKIRCIZWDNW-XYPHTWIQSA-N 434.324 0.532 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1839964344 OYJITKOIBMFHPF-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840034285 HDGGUCAMVQZAMT-SJKOYZFVSA-N 425.283 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1840152617 NKRMWHFNIDHWLW-KBXCAEBGSA-N 429.905 0.183 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C[C@H]2OCCc3ccccc32)C1 1841552987 OQSLZLDYVGKODR-OAQYLSRUSA-N 434.301 0.888 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(C)nn(C)c1C 1847904110 GTQVMNZXKSSKON-KXGZOLPJSA-N 425.493 0.986 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1cccc(N(C)C)c1 1848082865 NDNSUIHZVMBKRI-OALUTQOASA-N 431.537 0.706 50 20 ICGD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931113 XYEUMVMLTJUGST-HNNXBMFYSA-N 431.470 0.791 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1 728889072 NYQALDNIZOYMQG-LSPINASFSA-N 426.521 0.798 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 729281797 PBKXHCAQXBPNCY-UHFFFAOYSA-N 435.444 0.626 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730518779 BIRVGQAZDJLHQF-LBPRGKRZSA-N 444.275 0.870 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1OC 730827095 GUIXFWPZXFHMMB-UHFFFAOYSA-N 435.481 0.119 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cc3c(nc2O)CCC3)c1 733651154 IKGLHZXOXXYMLJ-UHFFFAOYSA-N 433.490 0.670 50 20 ICGD CO[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(F)(F)F 733660778 QSOALSKKQJWKOO-CYBMUJFWSA-N 438.428 0.992 50 20 ICGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(-n2cnnn2)cc1 740740717 ZJTSHFUVRFMAAX-HKBQPEDESA-N 442.457 0.392 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 743635636 DJVLTJRUUJRILA-HNAYVOBHSA-N 440.456 0.837 50 20 ICGD CCNC(=O)NC1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCCC1 744619400 NCZYZHNYVNLBET-UHFFFAOYSA-N 439.538 0.783 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NNc1ccc(-n2cccn2)nn1 748465107 KBELSFXQTLEWHT-UHFFFAOYSA-N 436.480 0.422 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)o1 748641353 VATBPTOUBDBCHW-UHFFFAOYSA-N 444.491 0.681 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659051 BFOUOSMKWCDORV-LLVKDONJSA-N 429.430 0.031 50 20 ICGD O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1csc(N2CCOCC2)n1 751229778 CZEQUTZHVIPKHN-UHFFFAOYSA-N 445.501 0.947 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 753966983 KSBGYPFGTBLGDB-UHFFFAOYSA-N 426.495 0.604 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 755639980 UBZYYJOOCPIKCX-UHFFFAOYSA-N 449.489 0.988 50 20 ICGD CCc1cc(NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccn2)n1 755797087 COEHALVMCOOIGW-LBPRGKRZSA-N 430.494 0.645 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 756395891 ZYJMIBFHLYZIEM-UHFFFAOYSA-N 429.433 0.532 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 758747643 VOYDFQGNXOFZGR-OAHLLOKOSA-N 429.502 0.857 50 20 ICGD N#CCOc1cccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 760633865 RJYAHSUODYILBZ-GOSISDBHSA-N 425.397 0.662 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763432093 YMTYYVYUNCHWMQ-GOSISDBHSA-N 438.440 0.101 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc(Br)c1=O 763682175 YSRJLADXWWHVEA-UHFFFAOYSA-N 441.213 0.452 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 764131496 HTBAWHNASHKNGT-UHFFFAOYSA-N 448.501 0.583 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CCc1ccco1 764170215 WBHVEBXQNULEPT-UHFFFAOYSA-N 438.462 0.257 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764298577 WZDGAJAZXCFGPG-UHFFFAOYSA-N 448.505 0.601 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 764425037 NCBSMDJHYSEHLH-CYBMUJFWSA-N 442.259 0.740 50 20 ICGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 764527379 QLNSXINWNWJWGB-OAHLLOKOSA-N 431.470 0.879 50 20 ICGD Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cs1 765059900 FZNYDYAKHKDJAN-SECBINFHSA-N 436.562 0.860 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 767766756 ZCSGDCGYQBWJFC-UHFFFAOYSA-N 433.442 0.408 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cc(C)[nH]n2)o1 768279587 ZUDMCXNRDDUXOD-GFCCVEGCSA-N 439.450 0.102 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 770239188 HZQWZGZXDCEZEZ-PPYMECGQSA-N 435.575 0.648 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(O)c1 776062611 YNBRRHMYTAYORD-UHFFFAOYSA-N 435.462 0.583 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778440369 GGRUZUYDGFAFJF-SLAYPKMVSA-N 425.486 0.405 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)NCCc2cccs2)[C@@H](C)O)cc1 779503834 UTWUZIBPZNLXPK-CJNGLKHVSA-N 440.547 0.657 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)c2)CC1 782120588 GLDYCRSTWYDMAO-UHFFFAOYSA-N 441.463 0.890 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)nc1 783265909 ZVVXLBWYPSCARP-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD COC(=O)CSCc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783424384 DBYIDGITOSWOEO-QGZVFWFLSA-N 429.520 0.229 50 20 ICGD NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 786055024 HYVFBBXZHIVMKI-CZUORRHYSA-N 446.847 0.301 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NOC[C@@H]1CCOC1 788329670 YOHBVMCLVRFUMJ-CQSZACIVSA-N 426.495 0.773 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(OC(C)C)nn2)nc1 793035492 XXHBMIIJQCUQOL-UHFFFAOYSA-N 437.482 0.427 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)(n2cccn2)CC1 795874152 SSTAKGCTHKQJQJ-UHFFFAOYSA-N 434.497 0.379 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 802435035 MPCJYDKDFYFESU-UHFFFAOYSA-N 429.861 0.726 50 20 ICGD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)cn1 802566675 ZZOKKLYFEQDVTM-HNNXBMFYSA-N 446.485 0.586 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1OC 804892837 YGVBMIVJJMNMQC-MQVJKMGUSA-N 433.509 0.731 50 20 ICGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692735 ZSXJIEHQMKYYQA-HNNXBMFYSA-N 441.492 0.321 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913154136 JVOFJWOBTGWSHT-LJQANCHMSA-N 432.444 0.652 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)=NN(c2ccccc2)C1=O 915190513 AABAWXGRHHOOJL-LBPRGKRZSA-N 433.428 0.033 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916110514 PLIQORQHCXFDBX-UHFFFAOYSA-N 441.487 0.347 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cccc(C(N)=O)c2)cc1 916480029 BZBJKLMAVVXUBY-UHFFFAOYSA-N 433.490 0.245 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 918570479 UYPLTKPDPWPIPF-RLGUWMIQSA-N 436.534 0.468 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)n[nH]2)cc1 919747994 LMVWIAGFOTXHLU-UHFFFAOYSA-N 435.444 0.349 50 20 ICGD COc1ccc(-n2ccnc2SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919884928 LMPDEWPAWWGGNS-LBPRGKRZSA-N 439.519 0.491 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CCS(=O)(=O)C1 919884980 ITHNIMYODBDLBY-GFCCVEGCSA-N 442.295 0.766 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1779032504 LYKPSFQBJFNXGD-NRFANRHFSA-N 425.445 0.148 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCCO1)C2 1779371379 VGXLRSLFQFYKNB-NJNPRVFISA-N 445.520 0.382 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779722390 WYXPVTJUCRLZBX-GOSISDBHSA-N 435.698 0.234 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccc1O 1780751830 HBVWRSPTPXTNMG-OAQYLSRUSA-N 434.493 0.217 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCc1ccccc1)CCO2 1783933549 AKEJOTLUWJEYPS-JOCHJYFZSA-N 432.521 0.406 50 20 ICGD O=C(CCc1cccc(O)c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784122526 GDAGJUUORSBJCD-HSZRJFAPSA-N 438.289 0.148 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784462941 RTWAEBLMTAFXDS-GNBRFLJNSA-N 435.289 0.308 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785085749 XLXKSZHHUXOCIA-NRFANRHFSA-N 448.206 0.541 50 20 ICGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1785965682 UHOXAPAOCPECFF-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3ccc(O)nn3)cc2)CCC1)c1ccc(B(O)O)cc1 1787228162 AFLJIKHSAPGNCU-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD O=C(CN1CCOC1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788145348 ZJAYADGKAAZNGB-UHFFFAOYSA-N 437.261 0.566 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1)n1ccnn1 1788150551 XGAJSWIPWCABTE-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792640906 HRMMURSNKDYWES-HBCWATKFSA-N 441.463 0.650 50 20 ICGD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1F 1794672472 ODZWXWUAUSIKRM-BJWYYQGGSA-N 427.241 0.475 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)cc(F)c1)C2)c1cccc(B(O)O)c1 1795739051 SLGMUWJMVIRWBE-VPTLXERWSA-N 444.243 0.091 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C 1796590752 FSCMLLCNCKZPDZ-CQFQAWKHSA-N 445.505 0.184 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802343381 BOWGWBOKAYKNFI-KANFNMMFSA-N 443.548 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCC=CO2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360271 JQHCDXSOFAXXDG-SESVDKBCSA-N 435.289 0.774 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807362527 HHCSKDIVUIOWRK-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2[C@H]3SC=C[C@H]32)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372574 GIZWIMBLABKQMQ-URZNZNTCSA-N 449.341 0.956 50 20 ICGD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cc(O)n1 1810924557 RVJJYNSMSALKOS-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)C(Cl)Cl 1813075487 DTKFBNFFSPEWIZ-RISCZKNCSA-N 428.276 0.443 50 20 ICGD CCC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815103351 NYXKCDOBJUIDKM-DYVFJYSZSA-N 441.297 0.310 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2 1817280195 PPWFPGNLDUXHCU-OHQOEKQFSA-N 444.517 0.960 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821043193 NTQMUSXHKAOXDI-DTWKUNHWSA-N 438.897 0.512 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824184875 DXWVAVYOYIMBSF-WBVHZDCISA-N 447.923 0.923 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1830533305 JZZJQTXOBYGVNE-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722331 AJLKWLBWUMPSDQ-OXJNMPFZSA-N 437.880 0.426 50 20 ICGD O=C(c1ccc2cnccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728577 VHIMZCZWUVJGOS-WIYYLYMNSA-N 433.892 0.905 50 20 ICGD O=C(c1ccc2nccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728583 VLODRINYCKFYOP-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830730604 BCDVDUFVHPZXOJ-FXAWDEMLSA-N 437.880 0.237 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831651834 SXSDETOFKAOIQJ-LRDDRELGSA-N 444.834 0.956 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831653903 GOLDHWNZHUKBII-OXJNMPFZSA-N 425.913 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671822 ZDKAKGHMXWNUPU-KRWDZBQOSA-N 427.461 0.006 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833503650 YOBVVJJROBWKHE-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccsc1 1834119494 WMFVEWRGAVWJFU-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823275 LZBIDVRNCJSRPZ-WMLDXEAASA-N 444.330 0.156 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1[nH]nc2ccncc12 1835017415 FMOQRLCZTDBUQQ-QGZVFWFLSA-N 434.928 0.743 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836799424 MQVNWIKWSFYTHP-PXNSSMCTSA-N 439.871 0.977 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718182 ZHRDEVASVJTSHE-HXUWFJFHSA-N 437.569 0.516 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155569 XSKBAOWPEJVHTO-ROCPSLNWSA-N 436.336 0.719 50 20 ICGD O=C(c1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197546 AQAIQBKQHBCRPP-CZUORRHYSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351843 UUEHBOKAEQCXFA-OXJNMPFZSA-N 439.896 0.109 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351845 UUEHBOKAEQCXFA-UZLBHIALSA-N 439.896 0.109 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839679534 ILIRZJGYSZMXHX-SQGPQFPESA-N 433.977 0.675 50 20 ICGD C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)Oc1ccccc1 1839744779 DVTGVUDYCHQKOY-MMOPVJDHSA-N 440.924 0.900 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839963267 GHFKKMOHBQYEDA-SJKOYZFVSA-N 443.298 0.426 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840033679 MTXWZWSTLMIMBL-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840035645 YTEUTQGMWZEARF-SGTLLEGYSA-N 443.294 0.951 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840488161 VFUXQMKYLKUHJV-CYJXPKQYSA-N 443.273 0.637 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccc1[N+](=O)[O-] 1843015616 QYIMFLKUKADGSW-UHFFFAOYSA-N 439.233 0.414 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc(Cl)n1 1844563463 UEAYFSZJYNNHCK-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD CC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038606 YAWYTYQKQORQTH-UHFFFAOYSA-N 429.521 0.905 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847567366 XHYHWVMCXMFAKH-WBAXXEDZSA-N 445.325 0.343 50 20 ICGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CC1 725872062 AMKIGKXTYKOMFZ-UHFFFAOYSA-N 444.561 0.756 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)CNC(=O)c2cccs2)CCCCC1 726090505 RTVLHHGDRIZSOI-UHFFFAOYSA-N 431.540 0.060 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 728016304 WGBUFFSLIMJSMO-UHFFFAOYSA-N 428.879 0.636 50 20 ICGD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728377454 RHUKQAURZHVGNL-AWEZNQCLSA-N 437.547 0.867 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 730781586 TUYXXQMXTFLUIL-CYBMUJFWSA-N 427.413 0.743 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730813222 ASZZDUPWPLTHKR-UHFFFAOYSA-N 438.414 0.354 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 732573802 YTLXOFLVZHDXTD-CQSZACIVSA-N 427.461 0.782 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1cccc(Br)c1 743512883 ZOFIRMVAMKVNDM-UHFFFAOYSA-N 445.237 0.714 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744472616 DXDRVOBRGRDKGA-UHFFFAOYSA-N 430.442 0.427 50 20 ICGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 746012876 NTOJTJNBQYYYGS-SNVBAGLBSA-N 449.327 0.822 50 20 ICGD C[C@]1(NNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCS(=O)(=O)C1 750334809 IKWUCRFLOKYUON-SFHVURJKSA-N 443.957 0.370 50 20 ICGD COCCCNC(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 750935913 KFVKIDVAQFMVTJ-UHFFFAOYSA-N 440.298 0.924 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCOCC1 753061715 YTWYQPJYRXVJLY-CQSZACIVSA-N 427.483 0.063 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)co1 756003795 XMDVJJJDXCBKPL-UHFFFAOYSA-N 449.533 0.075 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc1S(=O)(=O)NC(C)(C)C 756681413 JASNEKPAALGZDI-NSHDSACASA-N 449.555 0.162 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1I 756871487 MINAVBASKAOQNL-LURJTMIESA-N 444.226 0.521 50 20 ICGD CCOc1cc(Cl)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757674199 ALCATFYAUSSFNO-UHFFFAOYSA-N 449.855 0.339 50 20 ICGD O=C1N[C@@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758528887 ZEAYYUQTWHCOBR-DTWKUNHWSA-N 436.250 0.270 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccccn1 763464975 ZPYLBJMXSJKMSZ-UHFFFAOYSA-N 445.501 0.462 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)ccc1-n1cnnn1 763728400 OBULFSKNHIPBKO-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)n1 763883314 ZRRDWRXDMBGKJO-UHFFFAOYSA-N 426.477 0.830 50 20 ICGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003680 GPDDJQNIVHWWOH-UHFFFAOYSA-N 426.429 0.996 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c(O)c1 764109684 ARTMCJVTDYSYRP-UHFFFAOYSA-N 438.437 0.490 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CCC(C)C 764202662 GYYISYABJVRFGB-UHFFFAOYSA-N 440.522 0.538 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 764225650 BSJRHMZRPBRQFV-ZDUSSCGKSA-N 434.474 0.289 50 20 ICGD Cc1ccc(-c2csc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1C 764230698 JSNYKHPUSYDBIN-LLVKDONJSA-N 439.519 0.451 50 20 ICGD CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCC1 766064612 SOPNRAFNUUFDRN-SFHVURJKSA-N 436.534 0.927 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)C(F)(F)F)CC2)cc1 766636770 UTBROJWCZCILMG-CYBMUJFWSA-N 436.456 0.647 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 768630256 VWNWGZUIEDGCAL-HOJOPBEUSA-N 437.474 0.094 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 770655649 GNFUDOOZSUCPDL-LBPRGKRZSA-N 437.884 0.271 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 772071771 WIUDSBJVNXXURO-SSDOTTSWSA-N 442.313 0.278 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772197484 XAOBLYMWYSDBGJ-UHFFFAOYSA-N 440.865 0.073 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CC(=O)NCC(F)(F)F)cc2)CC1 779675678 YKBMOXHBHHJFQF-UHFFFAOYSA-N 437.444 0.134 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNc2ccc(Br)cc2F)cc1C 783082290 UJVLIZVWDBRLBG-UHFFFAOYSA-N 427.234 0.921 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)sc2ccccc21 783351286 AJGZSSQUHPWNHF-UHFFFAOYSA-N 425.474 0.142 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1 785337562 HJCCZIAMUSQTHT-UHFFFAOYSA-N 434.474 0.930 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCC(NC(=O)C3CC3)CC2)c1 792808666 ZICDIFVSFCQVBZ-UHFFFAOYSA-N 436.534 0.783 50 20 ICGD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 795315722 YFDJOFROJMVVOG-LURJTMIESA-N 448.306 0.027 50 20 ICGD Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 809940961 TUKRHMYYDUKNOS-UHFFFAOYSA-N 434.518 0.957 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)cc(OC)c1OC 821124310 SAIKLHGOBDKNLL-UHFFFAOYSA-N 434.430 0.572 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](B(O)O)C3)CC2)cc1 864230911 GRFGDLHQOITSOD-INIZCTEOSA-N 438.311 0.339 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1Cl 914831782 UZQSRSJDUMTZBC-GXSJLCMTSA-N 434.301 0.790 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 915163838 DWQXPXJGECWBAP-UHFFFAOYSA-N 441.443 0.477 50 20 ICGD CCOc1ncccc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916400591 NFWMDXURXOMYRW-UHFFFAOYSA-N 449.537 0.638 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnc3n2CCCC3)c1 916648298 RPBJIKPLLLYYCV-UHFFFAOYSA-N 449.537 0.789 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 917940946 KKNXHZCHEYQKIK-SNVBAGLBSA-N 444.466 0.150 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1777965520 AWEQQOWXLCXBFJ-LUXYFRNMSA-N 430.958 0.127 50 20 ICGD Cc1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1778392120 MPTGRXFBTHYRBI-WIYYLYMNSA-N 443.334 0.573 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3oc(C)nc3C)C2)C1 1779586441 KOHGVHPLUIMXGV-JHXRPTDYSA-N 442.476 0.869 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782286084 UGAVFPNOYHTGJF-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)c1 1783934499 BUJZIRCQPSBWAO-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD COC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784607649 LOGOFGOSXKHYFR-BLSIWXNBSA-N 433.509 0.383 50 20 ICGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1ccccn1 1786868205 BIWRCCBCUFLMCD-HPZZRFSDSA-N 425.327 0.846 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982275 VZHZXSASXIPDJX-JBACZVJFSA-N 439.321 0.242 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 1787508916 SKBKTZNLDBWWOG-ARQYOALSSA-N 441.492 0.147 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788705903 ATTHFGWMZMAPCI-BWJWTDLKSA-N 437.928 0.592 50 20 ICGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110289 GIXFAZLTYMAJGM-UMPJEAMMSA-N 433.892 0.911 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(F)(F)CC1)C2)c1cccc(B(O)O)c1 1795737701 LABLDQKXINLRSM-ALXJQNPVSA-N 436.264 0.395 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccc1O 1797753216 XRXBRHVPEILFSL-CCWDJLKJSA-N 439.472 0.216 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888233 AEZPATROMRGSDR-FMSGJZPZSA-N 425.283 0.393 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccncc2)[nH]n1 1798149347 DOBZZKGNJOFATH-KRXQYRFLSA-N 433.896 0.929 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 1800866473 UAHQWBSRUNKCIR-UXXRCYHCSA-N 433.933 0.743 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1801923796 RANPJISBCZORGC-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803073222 LZQZTZMLDDAJBS-YZGWKJHDSA-N 439.321 0.488 50 20 ICGD CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803598729 SKGNCTFYXKLQAY-YLJYHZDGSA-N 446.552 0.375 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805869080 WPMBPCXNRDVAHV-MRXNPFEDSA-N 429.326 0.126 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1807360984 DLWBNSOGVKJCJZ-AVRDEDQJSA-N 448.288 0.620 50 20 ICGD COc1nccnc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969491 WJAOQEMVQZSHSD-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(O)ccc3O)CC2)C1 1809969837 UQFZAIRPWYPHGP-UHFFFAOYSA-N 438.289 0.936 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccncc1O 1810659498 FCGHZYHGILPPLK-UWJYYQICSA-N 446.272 0.495 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1813032058 ULHTUJTWPJALJE-HEHGZKQESA-N 435.868 0.856 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1813074500 TWGQZPDYAQLGRJ-VGOFRKELSA-N 441.536 0.735 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1815267433 OXOLAEOUONITQX-GFCCVEGCSA-N 445.549 0.756 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2)c1ccc(B(O)O)cc1 1815348339 KPXQHMSLUFVKCW-SNVBAGLBSA-N 428.106 0.852 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)c2ccccn2)n[nH]1 1817336373 UQEOBQSKOZFSNS-UZLBHIALSA-N 442.524 0.870 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)[nH]n1)c1ccc(B(O)O)cc1 1817471610 SYOWELZYEGTDSF-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)c1cccc(B(O)O)c1 1817473823 BNGLEIFGYSPCEG-SFHVURJKSA-N 435.249 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccccc2=O)n[nH]1 1817521380 CXRUPSMROPWIRL-INIZCTEOSA-N 443.508 0.637 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(O)nc1O)CC2 1825998222 GYAKFDYOWPDEGQ-CBAPKCEASA-N 427.870 0.824 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923733 WBECXHQUXIHSAU-OALUTQOASA-N 431.537 0.935 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829536899 YETXCABZHROCPS-KXBFYZLASA-N 427.885 0.150 50 20 ICGD N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830731233 IFXTWBQJZCSZRA-HNAYVOBHSA-N 442.299 0.881 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1830949547 MSPVNSJWMUFZAK-GOSISDBHSA-N 443.342 0.512 50 20 ICGD COC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831874068 AOBOXNLIQDYGGC-MRXNPFEDSA-N 425.530 0.335 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)no1 1832931589 UCTCNBLJUSDCIM-SJORKVTESA-N 435.308 0.613 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832953131 TZOOTOBFSRFTLZ-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CC[C@H](C)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833394634 NEMLSIYDTGRKBJ-KRWDZBQOSA-N 429.370 0.988 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833519735 GXKZHMWMIIOOSL-ZDUSSCGKSA-N 431.375 0.855 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833708836 HHBYBONNMHCHOG-SCLBCKFNSA-N 432.880 0.191 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589167 JISXTBVZVGEDHM-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826379 NBAPZLPIGDATTE-KROLTMCQSA-N 439.310 0.731 50 20 ICGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1835833370 BTBYCMOYPVFFFQ-KRWDZBQOSA-N 442.633 0.472 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)c1 1836193839 ZEAGXAJEEATMEH-QAPCUYQASA-N 443.342 0.679 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1836371861 CMVFKIRKRBJRDV-QAPCUYQASA-N 431.984 0.728 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1836845313 NRDSIPISRQGGDV-SWLSCSKDSA-N 441.953 0.847 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837126648 HTXUXLCBPBGVNN-RDTXWAMCSA-N 427.910 0.899 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839534 MGLCYWLETQTFGB-BZNIZROVSA-N 447.717 0.983 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838099815 PLXWRFRFKCDMSZ-ZBEGNZNMSA-N 432.271 0.481 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CCC1=O 1839150501 NZNLHPRMTKMOIJ-QZTJIDSGSA-N 449.335 0.287 50 20 ICGD O=C(c1cccc2ccncc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839507046 ZYRFOEPLXBBIIE-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1840152618 NKRMWHFNIDHWLW-KDOFPFPSSA-N 429.905 0.183 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)CC1 1840156819 VARSMDGEXYNRFY-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840232386 VGMRGGYIMXWSSF-KKXDTOCCSA-N 436.336 0.205 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840883762 IWRQWJFSCSKWAW-GOSISDBHSA-N 449.342 0.817 50 20 ICGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)[C@@H](F)Cl)C3)csc2n(C)c1=O 1843365192 FFISFAHAXUEUNU-CYBMUJFWSA-N 442.900 0.579 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nn(C)c3c2CCC3)C1 1843774375 URVGFTZIKASNHK-ZVHZXABRSA-N 437.504 0.860 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)ccc1OC 10793595 RTQGXHPLYBYWPQ-UHFFFAOYSA-N 435.458 0.530 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1=O 27199902 UTUHBJPKXPRPRX-CYBMUJFWSA-N 428.420 0.937 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cs1 728575543 YUEVRPGTHDBBLN-UHFFFAOYSA-N 429.549 0.281 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cc1[C@]1(C)NC(=O)NC1=O 728853317 CVBMCBUBBLRTSR-IBGZPJMESA-N 443.441 0.245 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN=C1CCOC1)c(=O)n2Cc1ccccc1 731924229 XLFJPQKMCWVYBA-UHFFFAOYSA-N 438.488 0.957 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 744899120 QJZNRIITZVXPHE-UHFFFAOYSA-N 443.416 0.707 50 20 ICGD COC1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCOCC1 747450035 YSZULAMFBVTLQC-UHFFFAOYSA-N 428.511 0.142 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)NCCc1cccs1 749909994 XFBPTLGIDGYESZ-UHFFFAOYSA-N 440.493 0.499 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)CNC(=O)c2cccs2)no1 751209819 VDGHHOVAQQYEMI-JTQLQIEISA-N 425.492 0.682 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(C)o1 751296895 DVXVIHQREXVNGG-UHFFFAOYSA-N 447.473 0.862 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1 751618388 MMZJDENJFKNEFL-NSHDSACASA-N 427.552 0.559 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756100894 WVYPHNXFLAOBPV-UCQBOQSVSA-N 430.436 0.731 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 756555087 QWHUCUJUGZYXRS-UHFFFAOYSA-N 445.461 0.549 50 20 ICGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 756764398 IOBFOMMQWKOWOC-UHFFFAOYSA-N 449.537 0.696 50 20 ICGD CS[C@H](C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 756870117 JWFHAPFOOXQEEF-CQSZACIVSA-N 429.564 0.929 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCc2c[nH]nc2C1 758905883 MIZISQKSCLBCGY-OAHLLOKOSA-N 432.506 0.696 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNc1cnccn1 760517545 OFULFRIKTDDTPR-LLVKDONJSA-N 446.411 0.551 50 20 ICGD CCc1noc(C)c1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763738596 VTOXNFOZZGPSPA-UHFFFAOYSA-N 437.478 0.260 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763864682 FRTRFDVMSOIXDL-LLVKDONJSA-N 430.392 0.734 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 763996879 SITNFWBROUVBHT-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(O)c1 764110475 PIWZJVRVBIFDET-UHFFFAOYSA-N 439.472 0.488 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764138353 CJELZQSODKMFRS-UHFFFAOYSA-N 438.440 0.673 50 20 ICGD Cc1cccc(Oc2ncccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 764231039 LSJXYSWMFORXIP-ZDUSSCGKSA-N 449.489 0.514 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cnn1-c1ccccn1 765050320 XOEIKTIONAIQRV-UHFFFAOYSA-N 435.487 0.603 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cc(C(=O)O)n(C)c3)CC2)cc1 765127317 OWCBXJOOMMANHJ-UHFFFAOYSA-N 449.533 0.159 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 765312585 GJDQVMZVKTYKGF-FQEVSTJZSA-N 433.465 0.807 50 20 ICGD CC(C)CN1N=C(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCC1=O 766333438 JKOFQBBKJZKULO-UHFFFAOYSA-N 428.537 0.981 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCN(CC(=O)NNC(=O)C(C)(C)C)CC2)cc1 767094289 UCJZHGRGBOMYCK-UHFFFAOYSA-N 426.539 0.585 50 20 ICGD Nc1nc(C2CCCC2)ncc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 772684928 XYCZTVSVXJNZII-MRXNPFEDSA-N 441.444 0.861 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1 773493026 TWUSZGSFSXRIJB-HNNXBMFYSA-N 437.416 0.205 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 773724903 ZYPBXBBCZJWEPP-ZVHZXABRSA-N 447.477 0.380 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777885 RLKROQORTJCWEY-UHFFFAOYSA-N 428.308 0.940 50 20 ICGD COC(C)(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 781858219 UQDCBSGDOCQGBX-UHFFFAOYSA-N 427.523 0.603 50 20 ICGD O=C(COc1cccc(I)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 782060603 FOQPMRWZHNRTMI-VIFPVBQESA-N 438.243 0.252 50 20 ICGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)O1 783286619 NHAVLFSVOYSGBW-OAHLLOKOSA-N 440.522 0.957 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)sc2ccccc21 783349666 MTWBPYVYXBRLSU-NSHDSACASA-N 434.503 0.367 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786417600 SFURWQMSAUJLHF-JTQLQIEISA-N 446.913 0.543 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1OC 786586734 GFBSJFMNAFTTOP-LLVKDONJSA-N 447.366 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)cc1OC 787101561 RHUVXUKBRFDUQZ-MRXNPFEDSA-N 441.440 0.877 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)[C@@H](C)O)cc1 791662428 HLNBMCOMOIXURR-OXQOHEQNSA-N 449.529 0.866 50 20 ICGD CCn1c(CCC(=O)NNC(=O)OC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 792603046 DHXULECWUZVVSP-UHFFFAOYSA-N 439.494 0.397 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnn2-c2ccccc2)CC1 792638627 GGWKNTVNVFCXTQ-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 792855758 BWHBJINWOVJRNJ-CWRNSKLLSA-N 446.485 0.160 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1I 793352364 KDTCEEFEOYQRMU-UHFFFAOYSA-N 425.248 0.434 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)c1csc(N2CCOCC2)n1 794219679 VIOJUGPXHBREMC-IMRBUKKESA-N 437.522 0.854 50 20 ICGD CCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369368 TZGWUELGOKRGKH-UHFFFAOYSA-N 439.428 0.969 50 20 ICGD NC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 799119950 GJQCRXDWPLOVGM-UHFFFAOYSA-N 445.910 0.355 50 20 ICGD O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 804952766 SHNXOWUALSKLIX-QLFBSQMISA-N 447.521 0.215 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(O)cnc2c(Br)cccc12 809973154 UOCAOVSFJLNGLG-QMMMGPOBSA-N 428.264 0.899 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCc1ccnc(N2CCOCC2)c1 916388966 LGSBINPBHKBZJE-UHFFFAOYSA-N 430.421 0.736 50 20 ICGD CN1CCN(c2ccccc2CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1115993230 ZRMLRUVIWHIROH-UHFFFAOYSA-N 445.545 0.986 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)CC1 1318856713 QHSHJPUNOHKRQK-UHFFFAOYSA-N 446.552 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778695938 PPTCDDCGCYQLBU-NRFANRHFSA-N 428.493 0.151 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 1781530283 BCTUNOJNLURTRT-NRFANRHFSA-N 446.671 0.916 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1782864984 ZNLCQVRJZVSZKM-XYAYVLSKSA-N 444.438 0.980 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CCO2)C1 1783876495 YDGBIFYPHAQZSD-KKSFZXQISA-N 448.907 0.700 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1783876788 AOHQOINURUZRER-JLTOFOAXSA-N 437.880 0.715 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1783882170 WBMIGGHJFJARDW-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c12 1783937838 XXMABNTZDWUHJY-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975165 DSJYBUANPUTEQF-IINYFYTJSA-N 444.248 0.526 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784802076 SDLWZUUXIHXVFL-IHRRRGAJSA-N 442.310 0.066 50 20 ICGD CCc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785657612 MVHDDJHTPPFLGX-IEZWGBDMSA-N 431.537 0.610 50 20 ICGD Cn1cnc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(=O)NN)CCC3)cc2)n1 1787249712 CUGPGSUISSHNOW-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD COC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cn1 1787603408 DOYVJLIUISDNHC-UGQVUOCMSA-N 425.869 0.061 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791063397 HFRSBPVWSIQQBL-KEKQHROYSA-N 435.315 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@@H]21 1791291065 KGCKWCIKMPISBV-WDSOQIARSA-N 444.532 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CCc3nc(N)n[nH]3)CCC2)cc1 1791601181 SPKDNTHLQLSVLV-UHFFFAOYSA-N 442.524 0.827 50 20 ICGD O=C1CN(c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@H](O)CCl)n2)CCCN1 1793110228 DCALYSIKFOJUPR-JYYAWHABSA-N 449.939 0.259 50 20 ICGD CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881206 VHKYYNQVMAVSPQ-FQLMCAECSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794109249 CMAGADXMOZRIGH-BZROYUPASA-N 428.848 0.117 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189890 BIVZANIYPDZVMU-LJDSDSDDSA-N 440.305 0.374 50 20 ICGD N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443540 GQSAGPOAFXKDJL-BJWYYQGGSA-N 448.483 0.888 50 20 ICGD O=C(Cc1cnccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803298401 SYDPDJJPKKNBPR-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365699 YOIKUJMACLBOBG-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD Cn1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807366830 HMQUPJIMVWTLDI-UGKGYDQZSA-N 447.304 0.057 50 20 ICGD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCCN1 1808069436 WKQMCSZGBVMVIP-KKLQWCBXSA-N 436.321 0.223 50 20 ICGD Cc1nnsc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071354 RVYNCRRQEPACBM-MAUKXSAKSA-N 445.549 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1813071671 RZCWRIGJGIPVKF-AUSIDOKSSA-N 444.580 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 1814526184 YEOXXMWLIVUNRU-DZGCQCFKSA-N 433.513 0.301 50 20 ICGD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354974 KBSDMYMRBMIIPT-CQSZACIVSA-N 437.290 0.461 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817359037 MBABOVGPHOJEPC-DVYJOKAKSA-N 433.282 0.685 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1csnn1)CC2 1819793778 SNJWNFRJEYHMKU-QMMMGPOBSA-N 444.502 0.533 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccnn2)n[nH]1 1822755270 FJVUGQJEMYCYJR-HNNXBMFYSA-N 444.496 0.644 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924684 XRVDACOYTDVPQU-RDTXWAMCSA-N 430.509 0.053 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1829751751 AGIGLZULIHBMND-OAHLLOKOSA-N 448.343 0.435 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1830542784 DSLJIXAEVRHSJX-BMGDILEWSA-N 432.359 0.616 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732780 AORBBNSJUKOSJT-YJBOKZPZSA-N 449.287 0.421 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832953132 TZOOTOBFSRFTLZ-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833116929 OUTXLLXTRQQGFA-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834525134 SZDMJWSTYMYWQI-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD Cc1oncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797370 GVMHYTMDEAKJCH-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798637 SXECACOHFBIUSN-HTAPYJJXSA-N 441.381 0.988 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1836075422 SDSWUHCUKPSZLD-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128781 VMCYNTHBWGLTPG-AUUYWEPGSA-N 427.885 0.483 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530579 NZUUFWSDOFYXKQ-FDXSTYLRSA-N 447.916 0.226 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839145786 QIISPXFYCSNADW-BTYIYWSLSA-N 449.891 0.909 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200893 RPDIQUQHFBWEKH-OGHNNQOOSA-N 437.306 0.706 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840034068 ZPINDSWSZKCYAN-DYVFJYSZSA-N 429.315 0.500 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051365 XJPZONNSCXOMRW-LSPIHWNJSA-N 431.327 0.794 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840151771 NGTZAMREAZHGFO-JXFKEZNVSA-N 436.896 0.887 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840433148 HRWRYUWGXSOOGY-KEYYUXOJSA-N 447.305 0.666 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010374 IZJCVCIWCIUZMN-QGZVFWFLSA-N 443.309 0.193 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844229077 HDZGDAVTFWSPMM-NYATXJBFSA-N 431.497 0.031 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845492960 JVDAYLJAXDCDBT-UHFFFAOYSA-N 441.224 0.853 50 20 ICGD CN(C)C(=O)COc1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725873824 QWJXXMWKSXFENX-UHFFFAOYSA-N 433.490 0.476 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 726084962 FCLQZYMSBCJRKZ-UHFFFAOYSA-N 436.494 0.063 50 20 ICGD Cc1noc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 726271816 ZKVDPKAYMOUMJL-UHFFFAOYSA-N 436.494 0.739 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CSc2ccc(Cl)cc2)CC1 727240344 DMJIOUSWBVEYJF-UHFFFAOYSA-N 449.986 0.340 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1 728210944 NXOMQOVRRXFQRZ-INIZCTEOSA-N 430.490 0.760 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCOCC1)NNC(=O)[C@H]1COc2ccccc2O1 728320005 GGWFINQHBLYHAG-QGZVFWFLSA-N 442.428 0.062 50 20 ICGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 729664689 AAXXRYCLXPSOGH-UHFFFAOYSA-N 432.817 0.770 50 20 ICGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729964885 GRBIYOCSXFXVDS-UHFFFAOYSA-N 442.497 0.888 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730322259 JWHFWHUWYPPVMQ-KKNAONHISA-N 440.547 0.942 50 20 ICGD O=C(COCC(=O)NNC(=O)Cc1ccccc1F)NNC(=O)Cc1ccccc1F 731330380 NYYRYJMLIAAGPR-UHFFFAOYSA-N 434.399 0.061 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731543392 JTJPSRHSNWHQNK-UHFFFAOYSA-N 432.849 0.755 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1C 736742936 RJSQUVMLWNUGAE-IBGZPJMESA-N 436.490 0.644 50 20 ICGD CCc1cc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc(-c2ccccn2)n1 738537929 COLJVMSITQCTRK-DZGCQCFKSA-N 444.517 0.580 50 20 ICGD Cc1c(-n2nnnc2SCC(=O)NNC(=O)C2CC2)c(=O)n(-c2ccccc2)n1C 742451980 CGVVKKVFBQKXSF-UHFFFAOYSA-N 428.478 0.110 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(F)ccc1Br 742633888 KWTPBFUXAZWNLQ-OXHZDVMGSA-N 440.225 0.512 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 744463395 AILQQMKQJUIDDY-WQTVUKCASA-N 440.547 0.124 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1 744718432 GDVVEBRORUWRIY-UHFFFAOYSA-N 425.792 0.805 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 745858270 OFTRQTOBYOXSKY-GDBMZVCRSA-N 439.538 0.134 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746103525 OKZINWPAQYDSCK-BWHCZOGYSA-N 425.239 0.089 50 20 ICGD Cc1nc(SCCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)n[nH]1 746332942 UHQHDCJCXJQGLH-UHFFFAOYSA-N 426.524 0.760 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Br 747609335 RRHFGSXFYZLYAJ-QMMMGPOBSA-N 442.313 0.137 50 20 ICGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 749824269 SVOMZLCRRLOTFN-JTQLQIEISA-N 435.300 0.436 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)c2ccccc2c1=O 751294741 SEHJCNYOIMOORS-UHFFFAOYSA-N 433.421 0.519 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 753732029 SEMMBMSLVYVSSC-OAHLLOKOSA-N 432.506 0.555 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(C)c([N+](=O)[O-])c1 753839594 BLXQISQNQCUZPK-MRXNPFEDSA-N 442.384 0.779 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 756545380 YQPIFIKRPSMFNN-LLVKDONJSA-N 434.540 0.490 50 20 ICGD Cc1ccc(Cn2nc(C)c(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C)cc1 758041048 VFNAZFPMWKIVRI-HNNXBMFYSA-N 435.550 0.874 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 761448563 HPHTTXMMPRHNNG-UHFFFAOYSA-N 428.474 0.244 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1cccc(CN2CCS(=O)(=O)CC2)c1 762854020 BPLPWDCHJUBNFJ-UHFFFAOYSA-N 446.533 0.301 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 762855281 MDPQBRMCNVDTSA-HNNXBMFYSA-N 440.460 0.581 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570667 HMQCHASQXGQWRV-KRWDZBQOSA-N 441.444 0.113 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 763572606 MVNXILNOIRRKOK-LJQANCHMSA-N 448.435 0.823 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 763719390 YASCUKWZBRIDBE-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 763728356 LNGMLFWJBLCJOG-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763754424 PNSJALQHXSWCNL-UHFFFAOYSA-N 427.461 0.619 50 20 ICGD CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763921891 RSCFBZODMRLHCD-UHFFFAOYSA-N 436.432 0.657 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)s2)cn1 763938432 GBEXLZSSNJMRFD-UHFFFAOYSA-N 447.292 0.709 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)Nc1cccc(F)c1I 764023662 BUQFGWZBFLPVHG-UHFFFAOYSA-N 429.149 0.620 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 764193117 QAWBAFKMJONHTP-UHFFFAOYSA-N 444.513 0.640 50 20 ICGD CC[C@H](C)NC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764512319 BMTJKGJLDCDUDR-HNNXBMFYSA-N 427.596 0.595 50 20 ICGD O=C(CNC(=O)c1ccncc1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765755894 UBDXSZGBRZFZAH-UHFFFAOYSA-N 444.923 0.430 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1N1CCNC1=O 772884643 NFIOKTLFOUDGAS-UHFFFAOYSA-N 445.863 0.956 50 20 ICGD C[C@]1(NNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCS(=O)(=O)C1 775226851 WRWMMMKLSRZXPV-CJNGLKHVSA-N 445.339 0.935 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCCC(N)=O)c2)cc1 776322517 ZNLOLARUTUTRBU-UHFFFAOYSA-N 434.474 0.913 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cccc(O)c2)cc1OC 779468666 XQWZUNHFLFHHLD-UHFFFAOYSA-N 431.401 0.144 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)c1 779696346 KPTNYHOTKMTLTH-UHFFFAOYSA-N 435.300 0.293 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 780842816 PZDMVYOAERMXHC-OCCSQVGLSA-N 425.442 0.200 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 781659436 YADOSVVNFPHDRN-UHFFFAOYSA-N 427.508 0.705 50 20 ICGD CCOc1ccc(OCc2ccc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)cc2)cc1 782701495 FZODAHSLFYRPLI-UHFFFAOYSA-N 442.472 0.630 50 20 ICGD CCOC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 788878007 RJQXQQJSJUFGQS-KRWDZBQOSA-N 442.538 0.713 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[C@@H](C)O)cc1 789369523 FOQZBEPJVQDUHS-VLIAUNLRSA-N 444.513 0.894 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 792083978 KDWRNFSMMITHJY-ZDUSSCGKSA-N 427.483 0.489 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@@H]2CCCOC2)c1 795277011 XKIUFHWPRAOBCD-CQSZACIVSA-N 433.552 0.708 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 796992961 YEUGFJZGBHHPND-QGZVFWFLSA-N 441.444 0.778 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c(C)c1OC 797068949 CNRZBBATGFBTEO-UHFFFAOYSA-N 434.405 0.130 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)cnc1OCC1CC1 806787138 BFMVPBVFWADLHH-QMMMGPOBSA-N 435.300 0.332 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)c3ccc(O)cc3)c3ccccc32)N1 806991146 NOPYLRPRTSEMMN-HUUCEWRRSA-N 438.440 0.189 50 20 ICGD CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cnccn2)cc1Cl 808072153 AFMMUPDGDPGABA-UHFFFAOYSA-N 448.288 0.874 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 813033932 RPKJCOLIJZTYGK-UHFFFAOYSA-N 431.474 0.305 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 814102830 UULUCRBQVGNBNP-LLVKDONJSA-N 449.323 0.958 50 20 ICGD CC(=NNC(=O)CNC(=O)OCc1ccccc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814921294 GTBJNQQSERKHFE-UHFFFAOYSA-N 446.485 0.712 50 20 ICGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 914709789 AONPKGPFBWOZSB-OAHLLOKOSA-N 436.534 0.879 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCN(C)CC1 916257738 AXQZVJIMCOEZTO-INIZCTEOSA-N 439.586 0.196 50 20 ICGD C[C@@H](NC(=O)C1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 918774393 LMZRZVRRFHRONM-DYVFJYSZSA-N 433.461 0.602 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 919361425 OBMJBAALCCRWDN-MRXNPFEDSA-N 425.507 0.894 50 20 ICGD CN1CCN(C(=O)CN(C)C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 919695294 XFZCWXJJFQMTEP-UHFFFAOYSA-N 438.532 0.889 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N[C@H]1CCS(=O)(=O)C1 919883364 CKPQAPAZAKGNPB-STQMWFEESA-N 428.898 0.206 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 920239209 WRKJWJVSNLVQEF-LBPRGKRZSA-N 430.483 0.080 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 920239881 GVWMXIJBTAUBDA-ZIAGYGMSSA-N 428.511 0.607 50 20 ICGD N#Cc1ccc(N2CCC(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)nc1 1251630082 SPIDPDSUEKGXTQ-UHFFFAOYSA-N 449.519 0.959 50 20 ICGD CCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)s1 1256293541 KXWGVWGNSCWNIY-UHFFFAOYSA-N 449.514 0.933 50 20 ICGD CN1CCN(CCCCNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1321970087 PHGPEPNQSFXXIP-UHFFFAOYSA-N 440.589 0.992 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)C1CC1)C2 1778091669 MDYUSFPUSUWBDS-ZLMOUHMRSA-N 443.504 0.613 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)cc3F)CCO2)C1 1779032294 IOCJWTQRKSGBDF-NRFANRHFSA-N 445.426 0.721 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034752 UOHOBGONRLJVFW-IVZQSRNASA-N 441.488 0.600 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)CC)C2)C1 1783340042 WLDNQDRIEGKFCE-BOWAJMLGSA-N 428.327 0.848 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1783876086 RQAUQXALOYYCSF-YJYMSZOUSA-N 425.869 0.550 50 20 ICGD O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)NC1CC1 1789926489 ZUUWKIVOWXSXET-MIEXTIIISA-N 432.290 0.491 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 1794144226 ZCRFNBCDZPNDHE-RMEBNNNOSA-N 442.944 0.893 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccncc13)C2)c1ccc(B(O)O)cc1 1795736323 YXGPFQPTKRBZAL-OPMZPASUSA-N 445.284 0.432 50 20 ICGD CC[C@@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796179878 BOAZKSOGJZJPFC-IYWMVGAKSA-N 444.580 0.969 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796573749 DQQZVOOLXSWXKC-LMLFDSFASA-N 438.286 0.238 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ncccc12 1796801374 OERDXZONADHYAZ-MFKICJERSA-N 439.516 0.811 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798459839 LCWNVXBSTQFGSS-XRGAULLZSA-N 435.912 0.942 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347918 XIFJUEHNYKHASR-AIEDFZFUSA-N 429.290 0.232 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806772087 OTEDEJMPSKQAPN-NJZAAPMLSA-N 432.340 0.915 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807074656 XBDVJOGITMJXGA-MTOHEIAKSA-N 438.337 0.454 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n1 1807103925 VALIRFSUORBALI-UHFFFAOYSA-N 438.337 0.725 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807359755 DJVHGINHZLLUKE-GHTZIAJQSA-N 443.272 0.595 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2csnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364784 KDQPIDZHFBLRPI-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1815770319 GDHLITXTHAWHPQ-HOTUBEGUSA-N 445.249 0.690 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817115671 KCBJEHBESVRBAS-ZANVPECISA-N 438.934 0.320 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ncon3)sc2C1 1821022803 ATCPJABLNXKUMR-QMMMGPOBSA-N 428.434 0.064 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028310 GXPVXHCZBXLYGY-OCCSQVGLSA-N 446.346 0.472 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CN2CCCC2)CC1 1823793417 CVHQSFFAFYOLHZ-OAQYLSRUSA-N 427.354 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825381142 BPGQUKBVBQJSEL-LJQANCHMSA-N 431.537 0.926 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825936347 VTEAGNCEOOWVPA-CMPLNLGQSA-N 444.517 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CCC(O)CC1)CC2 1826089785 ODGAMYTZVSSHHZ-ROKHWSDSSA-N 437.566 0.979 50 20 ICGD O=C(Cc1cnccn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049198 PPGCBEUFCBCMFI-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCCN1 1830268815 YUDCIAUCPWADLJ-NFBKMPQASA-N 427.354 0.742 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353933 MXAWRQMMKXTWJY-QGZVFWFLSA-N 431.946 0.915 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830374174 AHOOVQLEPDEBGG-IPYPFGDCSA-N 435.338 0.889 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733979 XMYIQRFJDCXDPH-DNVCBOLYSA-N 448.850 0.958 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831501875 QKVYLCFKOFZWBA-YRBFXIGRSA-N 435.359 0.881 50 20 ICGD CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1)N(CC)CC 1831674943 LRYPYVPXFAJKKQ-QKLQHJQFSA-N 433.977 0.817 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)cnn1C 1834420384 DLXUNMVMENQHPC-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834525135 SZDMJWSTYMYWQI-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835441220 RLIRSZSZJKSONN-FQEVSTJZSA-N 431.961 0.430 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835588454 AOWBZDJFEBIIAD-KRXQYRFLSA-N 434.375 0.847 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930705 VIQBIPLLDGZCPS-REWPJTCUSA-N 442.321 0.205 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1836072755 RNJDJPJTRRMBJL-UKRRQHHQSA-N 435.250 0.067 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1837244242 HBQKPXQFYHVGPM-UHFFFAOYSA-N 447.536 0.305 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837770297 YXFGVQLCOHTYJB-SJCJKPOMSA-N 437.802 0.848 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)nn1C 1838831847 IRUJMJGYJMYRCS-LJQANCHMSA-N 428.917 0.764 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1OC 1838930496 XPLXFVQCKWJYEQ-QRWLVFNGSA-N 442.896 0.374 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518169 ILMQNILKZUUPOZ-HNAYVOBHSA-N 426.901 0.753 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839618698 TVOSXESSFAJNSA-BEFAXECRSA-N 440.859 0.143 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1 1840033606 KZLDNGALWZJDNV-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840034221 FBCGFHULLIBFJE-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1840156755 YZTRLOCDUNQECW-MAUKXSAKSA-N 431.942 0.704 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840190989 ZBJCHCSQGCBZGM-KPZWWZAWSA-N 431.320 0.775 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326668 QSWFGRRUIFXUBZ-GUYCJALGSA-N 429.315 0.582 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130527 FYBSNHYBKJHCAA-LLVKDONJSA-N 435.275 0.346 50 20 ICGD O=C(c1cnc(-c2ccccn2)nc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848294044 PDFSSTZLYTUGCP-PMACEKPBSA-N 443.272 0.348 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C#N)n1C 10956519 YXZSYGYRXAELRC-MKMNVTDBSA-N 427.442 0.941 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 24123838 JWTAQRCHOUJKIP-UHFFFAOYSA-N 425.239 0.985 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCO[C@H](C)C2)c1 726258636 DYNYANGKYFBLJC-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726438699 DOGQEMDTFZWSND-UHFFFAOYSA-N 446.558 0.942 50 20 ICGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854589 ZMBRDOWSCGBCNS-UHFFFAOYSA-N 449.489 0.338 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1cccc(N2C(=O)CNC2=O)c1 728938699 MZJDOTUHWMBWNT-UHFFFAOYSA-N 438.448 0.602 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(I)c1 729274664 ZMGFXDSYNCBUJR-ZCFIWIBFSA-N 445.666 0.643 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 730202845 AHPPZQCMPJOHQV-UHFFFAOYSA-N 429.476 0.039 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 731491801 YXKGIOPWRKCOFI-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 731865001 GWNDHISBKBXTMN-UHFFFAOYSA-N 433.428 0.637 50 20 ICGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1cnn(-c2ccccc2)c1 733171602 YJJMZZNEDPACTC-UHFFFAOYSA-N 425.426 0.478 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 736011104 OJXNGDISJSUVAS-UHFFFAOYSA-N 440.865 0.664 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)N(C)c2ccccc21 740704735 DSYCJNAXUYWISI-CQSZACIVSA-N 431.518 0.937 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CN(Cc2ccccc2)CCO1 741280384 YJGACPPVQUFIEV-CRAIPNDOSA-N 429.477 0.629 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc(S(N)(=O)=O)c1C 744582657 VSBPYZGPZROXRJ-UHFFFAOYSA-N 430.442 0.441 50 20 ICGD NC(=O)N[C@H](CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1 744620524 GXGNTWDGISEWJI-QGZVFWFLSA-N 447.517 0.950 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)c1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 746183677 MWJHEBAKAOYMCD-QGZVFWFLSA-N 445.435 0.926 50 20 ICGD COc1ccccc1NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 750231652 ASVAPCOPZBAONJ-UHFFFAOYSA-N 425.489 0.713 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 750668355 LCBHWMIQLOAIAX-NILFDRSVSA-N 425.445 0.258 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 753020386 QZVSFGWLBLWAAU-YPENRWOSSA-N 447.492 0.904 50 20 ICGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 754809149 AGMVCKHEJHTJBM-INIZCTEOSA-N 448.443 0.138 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 756213659 YVMXMHURNUIOIJ-UHFFFAOYSA-N 449.537 0.289 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834612 HPUSLCJGFUSJFZ-UHFFFAOYSA-N 448.505 0.696 50 20 ICGD Cc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758045158 BRUTZKMFOLQCDD-CYBMUJFWSA-N 425.536 0.666 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)cc1 758666937 WHRJIWJDHXVZAO-QGZVFWFLSA-N 442.476 0.433 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccs1)c1c(C)nn(CCS(C)(=O)=O)c1C 763169722 YSWIHQGANGJJBC-UHFFFAOYSA-N 425.536 0.876 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 763804086 KEEDQMGJBSOSDH-UHFFFAOYSA-N 427.373 0.644 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cn1 763814554 WVCOVVPQJCODJF-UHFFFAOYSA-N 442.432 0.218 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 763893409 UWJCSZVFTGXEHB-GJZGRUSLSA-N 429.481 0.295 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc(Cn2cncn2)c1 763945067 UIJUBJRYCRVHIA-UHFFFAOYSA-N 446.427 0.617 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CCCc3cccs3)cc2)c1=O 764340139 UNRBTKUUXWFHPW-UHFFFAOYSA-N 428.474 0.741 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1F 764367621 YPDOMDNYCIAOGL-UHFFFAOYSA-N 441.412 0.671 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1-n1cnnn1 764379807 LEMSGZTYKLEKIS-UHFFFAOYSA-N 447.358 0.429 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1-n1cnnn1 764386518 AHVXIAOFIYKFJZ-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD COc1nccnc1NNC(=O)Cc1ccc(CC(=O)NNc2nccnc2OC)cc1 764470404 ZBMRVPIUWYEFPE-UHFFFAOYSA-N 438.448 0.655 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(-c2ccccc2)nn1 765736547 ULFIWEVCRXSDRP-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD Cc1[nH]nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1Br 768622443 LSHAKQQFZXPZIZ-NSHDSACASA-N 439.222 0.625 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C1=NS(=O)(=O)c2ccccc21 770418021 BCGLBCCNTLMORT-UHFFFAOYSA-N 430.442 0.300 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 770537528 RBJWMIZZNBAAOV-RDJZCZTQSA-N 439.944 0.844 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)=NN(c2ccccc2)C1=O 772888529 KGITWJJVDIRIJK-LBPRGKRZSA-N 442.863 0.442 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)c1 773072858 PQTDKMAVBRNWGD-FQEVSTJZSA-N 430.465 0.692 50 20 ICGD CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 776844909 NDBHQGWHGNJIND-UKRRQHHQSA-N 430.469 0.863 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 778713361 QWCBVGWFIDQMOB-ABAIWWIYSA-N 427.841 0.257 50 20 ICGD C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780155113 TVGQZFKFRGCZMH-BZUAXINKSA-N 438.550 0.730 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 780888620 UPNJVAQKLSRXBU-QGZVFWFLSA-N 428.537 0.540 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ccc(OC)cn1 782144938 IZLMOVHFCLKSEW-UHFFFAOYSA-N 437.478 0.821 50 20 ICGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)c1csc(N3CCOCC3)n1)CC2 782898281 ZCJRIIKKENWHQN-UHFFFAOYSA-N 429.502 0.892 50 20 ICGD Cn1c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc2c(=O)n3ccccc3nc21 784417017 VQKJCEXUSITVTN-UHFFFAOYSA-N 443.464 0.655 50 20 ICGD CC(=O)Nc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 789296184 XNFZUQJPQWGLHC-UHFFFAOYSA-N 434.478 0.435 50 20 ICGD Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 794599811 ORKCXGUTERZJHW-UHFFFAOYSA-N 440.503 0.034 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 797370446 DBSLGSGOULKQFW-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 801109698 YWMLZZXUHSTZFU-RHSMWYFYSA-N 448.501 0.117 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(F)c1N1CCOCC1 801917397 BNYIYXAVPLALBL-JTQLQIEISA-N 434.877 0.903 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802566635 YVMSLIRTNMLXKK-SECBINFHSA-N 442.906 0.984 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)Cn1ccc2ccccc21)C(F)(F)F 805079894 USKYWCHZROCZDC-CYBMUJFWSA-N 435.428 0.794 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 805769901 XDWRIDVQSQGVTF-LBPRGKRZSA-N 440.448 0.911 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567358 GYAHBVCLXLMGFK-SKDRFNHKSA-N 444.407 0.746 50 20 ICGD CO[C@@](C)(CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CC1 813202878 RBHMPCCYGPSSKL-SFHVURJKSA-N 426.543 0.459 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1ccn(CCN2CCOCC2)n1 814641401 CJAMDAXDBVMHBK-UHFFFAOYSA-N 437.526 0.614 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)N1CC2(CCCC2)c2c(F)cccc21 815692519 SQHQFTQXUHRMDQ-ZDUSSCGKSA-N 426.452 0.986 50 20 ICGD Cc1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1F 815692641 XDDUYDHPUUFNEZ-SECBINFHSA-N 439.245 0.837 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692755 AUSZYWQZUJWVPO-LLVKDONJSA-N 435.282 0.952 50 20 ICGD Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 916515781 FWDHJGDYZDYCNK-UHFFFAOYSA-N 433.490 0.555 50 20 ICGD O=C(NNc1ncccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 920447675 PMEHIIWRBDIVSH-UHFFFAOYSA-N 448.505 0.091 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1318463624 PALFCLGUVXTXTQ-OAHLLOKOSA-N 435.506 0.897 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)CC1 1318611110 DAMSEZRCJXTRBW-UHFFFAOYSA-N 444.492 0.976 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1778090841 BYHREKBPXZSCPH-SFCFVEDTSA-N 442.520 0.162 50 20 ICGD O=C(c1cnn2cccnc12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778445697 IIRJCRUQJFDUDJ-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779395970 LNZFBEIPTMPFFY-MBOZVWFJSA-N 426.941 0.799 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780391822 HOUCPIBKPPBQDH-UZLBHIALSA-N 433.896 0.965 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1782170806 ZBUCUFULHOMYHB-WAOWUJCRSA-N 445.004 0.392 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)ccn1 1782212369 XSXIMBQLYGAFEJ-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4cnnc4)cc3)CCO2)C1 1783874709 ASBRZPVJZSQESC-PXNSSMCTSA-N 433.896 0.965 50 20 ICGD Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933751 WTYSHTDGQIGHJB-JOCHJYFZSA-N 431.537 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1783937642 WZXQXSPJVLMNSI-QFIPXVFZSA-N 442.520 0.239 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404923 ZUSSQVYYUAWFKA-AVGNSLFASA-N 425.345 0.186 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939616 AQSGQYRKAXGADI-CYDGBPFRSA-N 437.298 0.501 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cnccc2[nH]1 1788417839 RGBRKWALCJGLGW-XERREHJYSA-N 448.288 0.150 50 20 ICGD Cc1nc2sccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788437655 XSLHGJXHVNRMRI-FQUUOJAGSA-N 426.926 0.897 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1N(C)C 1789815946 WQHQJSFBEAMKLH-MRHSLFKSSA-N 439.940 0.954 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccn3)C[C@@H]21 1791288616 MDGVNQUKBGWOKV-WDSOQIARSA-N 431.537 0.367 50 20 ICGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793115771 XEQQHUMDMXYTNH-XLWJZTARSA-N 433.933 0.500 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)C(C)(C)C 1793190133 XIOLELQIWYQBSG-OCVGTWLNSA-N 432.359 0.912 50 20 ICGD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)n[nH]1 1794556513 KAPUHXJRFPGZQZ-ADGXKJENSA-N 427.299 0.847 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1C 1794692432 AGIDEGOSQJFEHQ-QRUVTEGNSA-N 442.476 0.629 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H](F)Br 1796185099 RZOLXNKBNMJLIY-JXVAYASWSA-N 427.234 0.360 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2 1797754434 WYMOQXAKNWAMFZ-WWWUOXLMSA-N 449.511 0.692 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797902487 YQJFAXJHGZVACH-AHDPXTMNSA-N 428.331 0.677 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)c1F 1798987248 WTQDRVYPKBTGIP-HBCWATKFSA-N 430.216 0.162 50 20 ICGD COC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1799424543 RMBDIEDKSGTMGX-OCVGTWLNSA-N 425.869 0.668 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800231219 KPUDCINSVULITO-RMPHRYRLSA-N 425.251 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2 1801011324 HMADCCAYSQWPTG-VZJWBNGJSA-N 442.582 0.209 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1802084393 ZZRMMOHPIRAKTP-BKQXGZDCSA-N 445.944 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1802338845 URLKYXOVKCAJJA-DFBDCSAJSA-N 433.553 0.399 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1804507098 GUTBYOMZWGHINO-AVRDEDQJSA-N 441.536 0.816 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374827 OCELJCGKSYXAGO-ZRCAFCQKSA-N 437.305 0.696 50 20 ICGD O=C(Cc1cccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807620076 VLLKCPIDCCWZQY-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD COC(=O)CCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809095399 JIDKLSUYJIQGHW-UHFFFAOYSA-N 431.493 0.483 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1811491108 QNBPEHBXACAIPM-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1813067794 DODOMHFSEQLJIW-HDMKZQKVSA-N 425.917 0.060 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)nn1C 1813070467 JJDBIFQONRWNKR-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814873633 SQGZFJKGLYEXNP-NILFDRSVSA-N 449.899 0.610 50 20 ICGD Cc1[nH]nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1F 1816228859 NLOGWERTBJGGLF-HNNXBMFYSA-N 440.244 0.880 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817090126 UHSGKQLRZKZBIN-IONNQARKSA-N 427.870 0.824 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)c1ccc(B(O)O)cc1 1817471015 PNEKUPMXRFYXOW-GOSISDBHSA-N 435.249 0.343 50 20 ICGD C[C@H](Cn1cncn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819543829 GGRJDICCHFULKZ-ZBFHGGJFSA-N 445.528 0.703 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnc1)CC2 1819795593 PICOEKNBNAVRDA-NSHDSACASA-N 440.489 0.264 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825636004 PMYAJXSTDLMYOD-ACLDMZEESA-N 444.311 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826318975 XTKOSBROULRCGF-NSHDSACASA-N 436.566 0.832 50 20 ICGD CC[C@H](NC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827037961 JDGHTXWJOVTHMF-RBUKOAKNSA-N 430.553 0.916 50 20 ICGD O=C(C(Cl)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401641 QOMHFELMTTYIPH-LBPRGKRZSA-N 442.307 0.850 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830397495 KJFRBOANPBYNCE-UXHICEINSA-N 441.337 0.221 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1830544943 CJRPLUJDJOISRB-RVKKMQEKSA-N 443.342 0.932 50 20 ICGD Cc1ccc2oc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2n1 1830723547 PMRVRBKBKSKWOE-QRWLVFNGSA-N 437.880 0.806 50 20 ICGD Cn1ncc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830731849 QVRLJXCQCIXDEQ-PXNSSMCTSA-N 436.896 0.243 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834400806 VFEUTEUPLXKQTC-CXAGYDPISA-N 429.315 0.664 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1834918451 BSIIQJFCSJUGNH-HLIPFELVSA-N 426.897 0.430 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835055182 XFXHZKMWKFFTNM-LPHOPBHVSA-N 431.316 0.939 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835136268 LJJDPOBIQAHMRY-XLIONFOSSA-N 431.961 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccncc3F)CC2)CC1 1835253641 PSFJIPLCLBVQFK-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835977213 XEUPWUQWGMRUBE-MLGOLLRUSA-N 449.733 0.776 50 20 ICGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836043541 CXNBCHITEUCRPD-DZGCQCFKSA-N 436.303 0.833 50 20 ICGD CCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460317 BERPIMPHNCSZBF-OAQYLSRUSA-N 433.509 0.191 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837676435 KBMZHLBSTLZVSL-OXJNMPFZSA-N 443.617 0.599 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1838045428 ZKTYEEYEPBCAOK-RHSMWYFYSA-N 447.305 0.743 50 20 ICGD O=C(c1ncccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200136 GBDNDOQEOVUMPW-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839541074 MLEHKVRFCRYKDU-OXQOHEQNSA-N 434.880 0.300 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1839962499 HSZOGUYAAAXZJK-KSSFIOAISA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1840151387 AHCKMQVVYUEHHZ-APPDUMDISA-N 437.827 0.936 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840930296 QNJIKFDUCLISPE-KNQAVFIVSA-N 436.936 0.848 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843012936 YUUBNZQYXZIBGN-UHFFFAOYSA-N 435.289 0.199 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)CC1 1847945583 RCIFENWGJCHXSK-USJZOSNVSA-N 443.504 0.480 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC 12696034 ZBKXSISWIHOCHE-UHFFFAOYSA-N 446.485 0.984 50 20 ICGD Cc1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 28580979 WNHMWTGXFBSDIG-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD CCn1c(NNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O 726375108 TWVLIMUSNCTIPD-UHFFFAOYSA-N 431.474 0.976 50 20 ICGD Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728377455 RHUKQAURZHVGNL-CQSZACIVSA-N 437.547 0.867 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)Nc2c(I)cccc21 728435051 UMLWCLMEGNXFHP-LURJTMIESA-N 436.231 0.001 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 728472627 DEUAHOWDSXQAGS-HNNXBMFYSA-N 443.485 0.823 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730076827 ABAWTYGVTYAXBK-NSHDSACASA-N 444.560 0.999 50 20 ICGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 730130325 KPMBUWPEWHHHKT-IBGZPJMESA-N 431.585 0.165 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(Br)c2)c1 730165546 JFKHMANZLWAZOC-JTQLQIEISA-N 427.280 0.831 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1Br 732255337 DKHMXVDMMXHIOS-LLVKDONJSA-N 449.327 0.826 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 734240218 LGORQIXRWHDUGO-STQMWFEESA-N 425.486 0.407 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)[C@H]1CCOC1)c(=O)n2Cc1ccccc1 741756970 UGMXBMUAGYIOJP-KRWDZBQOSA-N 438.488 0.957 50 20 ICGD O=C(C[C@@H](C(=O)NN=Cc1ccccc1O)N1CCOCC1)NN=Cc1ccccc1O 741767253 SWRJKNZGBRJSEX-SFHVURJKSA-N 439.472 0.789 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1 742054206 YRYPZULSVLCTPG-UHFFFAOYSA-N 438.531 0.797 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(F)c1 743251922 ZHGRHWFBHPLCGE-UHFFFAOYSA-N 430.439 0.440 50 20 ICGD CNC(=O)c1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 743420260 ZUAWSACIHMZBNI-UHFFFAOYSA-N 432.506 0.134 50 20 ICGD COC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc1 748618869 ILCJMCZHOSSJPT-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD CC(=O)[C@@H]1CC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)=NN1c1ccccc1 750866502 ZOKZGIRSTRPZJL-KRWDZBQOSA-N 442.501 0.965 50 20 ICGD COc1cc(I)c(C(=O)NNC(=O)N2CCOCC2)cc1OC 751387739 XVOFRHBRKZLLCT-UHFFFAOYSA-N 435.218 0.995 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CC1(C)C)c(=O)n2Cc1ccccc1 751583795 BCMNUFJUEQUGPM-OAHLLOKOSA-N 438.488 0.621 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CN2CCCC2=O)nn1-c1cccc(C(F)(F)F)c1 751616848 HNGMVEPCKRSZJY-UHFFFAOYSA-N 437.378 0.943 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc21 756096122 OSGHVUJENXMCJI-BIPCEHGGSA-N 436.472 0.253 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2cc(Br)ccc2O)n1 756770042 IOIMSOUSFFYTBT-UHFFFAOYSA-N 426.231 0.301 50 20 ICGD COC(=O)c1c(F)cccc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 757652374 OSYPXGUIYPHGHN-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n(C)c1 757717130 ZYIKGCWTXGIZCJ-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2O)c1=O 757780519 JWOBKNYGEZAVFW-UHFFFAOYSA-N 428.854 0.718 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 763857310 MXUZPQAHJLCKHE-NSHDSACASA-N 438.437 0.287 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 763872197 LRUFJQQJRXXMAN-LBPRGKRZSA-N 440.412 0.888 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCc1ccccc1)CC2 764202008 JGVWRKBMHJOTFW-UHFFFAOYSA-N 430.486 0.264 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764288950 ORFYAIKFQGDXDT-UHFFFAOYSA-N 438.440 0.760 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764289945 ZQBAWVLOUKRSDY-UHFFFAOYSA-N 428.445 0.626 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764368526 XWYJGJIEOMYORM-UHFFFAOYSA-N 430.436 0.965 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 764431688 FGSUGZKTQQMGRU-HNNXBMFYSA-N 428.449 0.173 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 765731786 BQWNAANTXVFYTH-UHFFFAOYSA-N 448.911 0.815 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)cc3cccnc23)n(C)c1=O 765732847 XRHBDQVXOITOCF-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 766647269 CNOVNBFUTLECOM-UHFFFAOYSA-N 449.511 0.800 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccs1 767282427 QSRJJFHPBJSPRO-ZDUSSCGKSA-N 439.515 0.657 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(C)(C)O)c1 768260116 RSIWANPVFIWRQW-UHFFFAOYSA-N 436.328 0.915 50 20 ICGD CC(=O)N(C)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771607314 LUNVGIOLQIDDGL-UHFFFAOYSA-N 438.893 0.949 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 772115034 NVCMZSOEVWTXCU-CQSZACIVSA-N 440.522 0.908 50 20 ICGD COC(=O)c1c(F)cccc1NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 773625287 HFXXWNIKUUZBAU-JTQLQIEISA-N 426.426 0.221 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779495563 KZOKZAHQTWHTTO-NSHDSACASA-N 429.499 0.802 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(C(=O)OC)cn2)c1 779643839 ZWAUNSLQFDUVNK-UHFFFAOYSA-N 435.462 0.369 50 20 ICGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 780155073 QYEUBDXYAYQUCE-UHFFFAOYSA-N 443.489 0.670 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCS(=O)(=O)C1 783426037 LJSXEYVOYWSONQ-LJQANCHMSA-N 436.465 0.936 50 20 ICGD CCOc1cc(Br)ccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783428382 VBOCVQIHUCIZMK-HNNXBMFYSA-N 434.312 0.984 50 20 ICGD CC(=O)NC1(c2noc(CCC(=O)NNC(=O)N3CCN(C)CC3)n2)CCCCCC1 788168939 HLJXRMGDIAQROR-UHFFFAOYSA-N 435.529 0.676 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=C1C(=O)OC[C@H]1C)N(S(C)(=O)=O)CC2 794882595 PEPIGDLOPXVSAR-RISCZKNCSA-N 439.490 0.618 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368834 HRMBWEJFRKXODT-UHFFFAOYSA-N 441.444 0.335 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 802526802 KGROXOLJYIRKPV-NSHDSACASA-N 434.482 0.452 50 20 ICGD CCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 805771789 ZUPQYIDOHLGUCN-GFCCVEGCSA-N 432.930 0.465 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNc2nccn(C)c2=O)c1 807020618 OOAWIWQIDOOXKV-UHFFFAOYSA-N 427.202 0.775 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 807370027 UFRTUIVTQSRLPX-UHFFFAOYSA-N 445.494 0.063 50 20 ICGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 811645260 GGNLLUGXJKEVSG-KRWDZBQOSA-N 435.550 0.462 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 814274224 XNLMRXHYAIRHQA-CQSZACIVSA-N 435.510 0.058 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nnn(-c2ccc(C)cc2)c1C 814785614 YXSCYZBRNIREQN-UHFFFAOYSA-N 442.505 0.309 50 20 ICGD CN(C)c1c(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c(=O)n1C 814972750 JCWXXAGQMQNAPZ-CYBMUJFWSA-N 436.513 0.247 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 815267281 DACSHYJOGHPAKF-UHFFFAOYSA-N 436.428 0.685 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 815691123 FWGVKZKEEYGHFM-SNVBAGLBSA-N 445.386 0.776 50 20 ICGD Cn1nncc1NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 816771427 MBONOHCUMWRCPC-UHFFFAOYSA-N 446.537 0.952 50 20 ICGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 816830560 KTKAFHCTQWJODF-UHFFFAOYSA-N 444.516 0.131 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 912919628 QSQLKEFDZUHZOF-OAGGEKHMSA-N 446.504 0.457 50 20 ICGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916128052 ILWLZLXDEDOQCX-UHFFFAOYSA-N 440.485 0.731 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C[C@@H]2CCOC2)CC1 1116102801 IUVYEENHDDEGFG-AWEZNQCLSA-N 438.554 0.425 50 20 ICGD Cc1nn(CCO)c(C)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1337811530 GABDJWYFFVZRNT-UHFFFAOYSA-N 435.506 0.277 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)no1 1778030087 KYGROOKWJCAWAA-DDUZABMNSA-N 430.864 0.761 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3F)CCO2)C1 1779032879 ZQEXWGHKPXXYPU-OAQYLSRUSA-N 427.436 0.582 50 20 ICGD O=C1Nc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)cccc2C1=O 1779148163 XTIODZKWDBXECY-VTJXTGGHSA-N 449.891 0.549 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779234866 CEBJKGCLGTUHEV-QRWLVFNGSA-N 440.928 0.371 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779326262 ZWGYYETVQYYLMX-UHQDVWGKSA-N 447.374 0.991 50 20 ICGD Cc1nc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc1C 1779941221 CULRDWXPBJXRDT-HXUWFJFHSA-N 429.307 0.197 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(-n2nccn2)c1 1780239944 DHUFWXXGQCABDZ-FXAWDEMLSA-N 433.896 0.619 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782215216 YTHVIZISABKWST-CSODHUTKSA-N 426.558 0.687 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783345115 XSAZRNXCZYYEOO-PIGZYNQJSA-N 441.282 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1783877030 ZOPAMDVYDQGNBQ-AUUYWEPGSA-N 425.869 0.566 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]21 1787508133 HTQCRTAKEZFPNO-MPKALDKKSA-N 446.552 0.440 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1791254009 HPBKZMGVZVIHMN-XQLPTFJDSA-N 442.900 0.545 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1793102265 KMMQSRLZSULMNE-BVRUVYRISA-N 428.294 0.208 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1onc3ccccc13)C2)c1ccc(B(O)O)cc1 1795735897 IQHYTRGDUAVMNF-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccccn12 1797472571 WKCIMLKQNIIHKR-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)no1 1798216306 RXKKWBDGBCJQPF-GBQKICQVSA-N 442.476 0.574 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1S)C2 1798439787 HYBLUAIRJQBTAH-CLLJXQQHSA-N 426.502 0.934 50 20 ICGD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799014241 SHTSPDJOEGZCBE-RMFSNUHRSA-N 438.289 0.282 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2c1CCCC2 1801773316 NUBJQUVVZYVVET-BBIADKPPSA-N 448.328 0.762 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805813265 RXOKLZUDVKPOOY-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CCN1CCC(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809978585 VIURGYJSWIMWOE-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1813070198 FBYATVUMDXXWLL-VGOFRKELSA-N 444.536 0.083 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@]2(C)CCCN2)[C@@H]1c1cccnc1 1813074362 YCXLOJAUIXRVDQ-NQSCKRDGSA-N 430.553 0.603 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813297714 MAKGLDCQVHSOMK-VWOJUMNXSA-N 445.288 0.518 50 20 ICGD C[C@]1(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCCN1 1815343879 UMPDBNBMEJZEFE-VBKZILBWSA-N 428.323 0.191 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n(C)n1 1815355191 QTDPWLKGNIKMMB-CQSZACIVSA-N 439.306 0.404 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816752317 YSOVWDJFLCYFRT-DVQDXYAYSA-N 440.265 0.515 50 20 ICGD COCCOCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817046760 IXGAGQAPPXPWKL-QGZVFWFLSA-N 430.270 0.058 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822414659 XPDBGENVMVUUPE-BBRMVZONSA-N 435.529 0.642 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1823563861 LWWPAXNUKTUBDP-IPURGOFSSA-N 448.929 0.498 50 20 ICGD N=C(N)SCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826879185 NIILJVCMCQHZEL-SFHVURJKSA-N 446.382 0.616 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052504 LSSCBLGESMKZMD-PMACEKPBSA-N 441.337 0.221 50 20 ICGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537191 CQEYRKCGQKEHSK-RHSMWYFYSA-N 437.331 0.137 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724134 DEKUNLPNFYIHLY-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1830726983 YQYHWOWLIOZIMF-SIYDEPHESA-N 440.846 0.775 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736352 SDPOMQIJKHLXRJ-KBXCAEBGSA-N 427.910 0.899 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832819495 CDTGECRPTPQFBH-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832942604 OQEGMKNAEQSWOC-GDBMZVCRSA-N 433.278 0.489 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834163333 FBEPJIFWOBQQRX-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826380 NBAPZLPIGDATTE-ZMXQLYDGSA-N 439.310 0.731 50 20 ICGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835245343 NXZHMILQNQFLLW-IAGOWNOFSA-N 427.325 0.342 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835292830 MBAFHTBAWPOPIE-ALKREAHSSA-N 441.322 0.960 50 20 ICGD CNc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1835611150 QTGQLKSVMLVAPX-JOCHJYFZSA-N 447.536 0.171 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837854065 GQWDRXDBDXQBMY-IERDGZPVSA-N 439.601 0.731 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839198571 IUHYUONISDTAAR-WBVHZDCISA-N 447.305 0.418 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839518168 ILMQNILKZUUPOZ-DNVCBOLYSA-N 426.901 0.753 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1 1839963738 UPMQEASJAXRXNN-LDDOYCOJSA-N 434.375 0.990 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030125 BDTOEZJCOCTCSW-AHIWAGSCSA-N 434.331 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840153814 ZSMYYTGCRCAZAF-MGPUTAFESA-N 436.896 0.887 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC3)CCO2)C1 1840634645 ZNIIJVYRFSKCOB-YWZLYKJASA-N 445.944 0.985 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3nccnc3c1)C2 1844264331 GTGAHXMJSXIGTQ-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CC(=O)N[C@@](C)(C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2)c1ccccc1F 1845261473 NRGSGGCWFVWTSA-QFBILLFUSA-N 425.888 0.980 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 16785607 GFYXTNVMEDGGBR-AWEZNQCLSA-N 437.499 0.683 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 104503671 DOQTXXKDPKVWIF-UHFFFAOYSA-N 440.412 0.569 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cccn1C 726540697 JZLPYVHNYBVBOZ-AWEZNQCLSA-N 436.490 0.028 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 728977292 CFKQCPQUCRZCBV-UHFFFAOYSA-N 430.442 0.459 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730782283 LWDYYOSZZVUPAZ-UHFFFAOYSA-N 435.458 0.253 50 20 ICGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1cnn(-c2ccccc2)c1 733170273 WDFIYJAVBRPNFV-UHFFFAOYSA-N 433.222 0.358 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@@H]2CCCO2)c1 734677009 GZGRFLFXAMKIEG-INIZCTEOSA-N 442.538 0.857 50 20 ICGD O=C(NNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)C1CCN(c2ncccn2)CC1 740048737 SNTQELVMTCVZCE-UHFFFAOYSA-N 439.402 0.560 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(Br)c1 742769870 WFVWRDXATAGTDQ-AAEUAGOBSA-N 444.307 0.246 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744515546 CYDYDJARJABLJQ-ZDUSSCGKSA-N 434.408 0.856 50 20 ICGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 745280408 WTNJBGRLDFMUQH-KZULUSFZSA-N 430.461 0.746 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 751203812 SCWIJAIYRFLKOD-NSHDSACASA-N 449.261 0.972 50 20 ICGD CC(C)Nc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 752806336 QDPULYZDTUOSGN-UHFFFAOYSA-N 433.538 0.990 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)n1 754178174 YANHJKCUUYYASL-UHFFFAOYSA-N 444.491 0.150 50 20 ICGD O=C(Cc1c(F)cccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755036914 LXTOGKZBSZSTFS-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 755283803 APHVOOJZFIQUEI-UHFFFAOYSA-N 433.515 0.996 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 755535472 OOXMFDAFZULCTA-UHFFFAOYSA-N 446.449 0.311 50 20 ICGD O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756511200 MGGLXFQBUJXKJC-DOMZBBRYSA-N 439.494 0.575 50 20 ICGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 756513766 KIOCMSKNUGCDIH-UHFFFAOYSA-N 429.477 0.053 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC1CCOCC1 756710659 DWMUSCQTOOQQPO-CYBMUJFWSA-N 428.511 0.891 50 20 ICGD CN(c1ccccc1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(C)(=O)=O 757660653 IKBRTTVPKCBLGA-UHFFFAOYSA-N 440.503 0.952 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 759357498 UGZJDHBLUWQEHQ-UHFFFAOYSA-N 429.458 0.637 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccccc2F)cccc1S(=O)(=O)NC1CC1 763567728 BELZOTBVNHQXEI-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)cc1F 763571114 HKWFXQKLWZRXIT-INIZCTEOSA-N 434.355 0.849 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(OCC(=O)N(C)C)c1 763679483 MCCYQGNKISOMPM-UHFFFAOYSA-N 446.435 0.766 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763745434 FSCCNACWCANBPQ-UHFFFAOYSA-N 449.464 0.012 50 20 ICGD O=C(NNC(=O)c1cccc(Cl)c1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 763749650 BATCGZZPRYTCII-UHFFFAOYSA-N 429.820 0.792 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1-n1cnnn1 763858452 SJSJRKCHSUTOIQ-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 764234789 ZVORARBMBPDLLU-SSDOTTSWSA-N 446.354 0.364 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764239788 UWZIDHIWYDDGSX-UHFFFAOYSA-N 449.467 0.900 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274854 FLKMCPWYDZECCF-UHFFFAOYSA-N 439.428 0.811 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764354275 OWLHTMYUKXBLQM-UHFFFAOYSA-N 433.490 0.439 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 764432903 KELFQDVLKJUIRP-OAHLLOKOSA-N 438.868 0.467 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)n(C)c1=O 765730738 NNXZRSDRTSICSF-SJORKVTESA-N 446.467 0.538 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cnc1Cl 767438991 ZFJCPJGLIBPNHT-UHFFFAOYSA-N 433.899 0.660 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 770990502 PNDVQNODSBPXTI-CYBMUJFWSA-N 449.574 0.680 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1F 773888376 GCAPMCLTKHAXSF-UHFFFAOYSA-N 445.455 0.528 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1 774008023 DPSRSVANJWXJID-JTQLQIEISA-N 437.840 0.804 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 775333207 FPWLXHMBNJOSLQ-GFCCVEGCSA-N 435.462 0.615 50 20 ICGD CC[C@H](CSC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775461008 YODAGYHELFDLGL-CQSZACIVSA-N 430.552 0.793 50 20 ICGD O=C(NNC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CCN(c2ncccn2)CC1 777508148 KOBTZDYFWGJPDI-ZDUSSCGKSA-N 443.430 0.434 50 20 ICGD C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CS2 777832139 KCTSDTUPPYUDGU-MFKMUULPSA-N 426.358 0.267 50 20 ICGD CCNC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 780708887 KJGBEBQKNQFYRH-UHFFFAOYSA-N 443.501 0.131 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 784002585 HSJLREZGVYAQJQ-ZDUSSCGKSA-N 438.868 0.606 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)NC(C)(C)C 789857657 ZSVRJQGLEMEROS-UHFFFAOYSA-N 426.495 0.155 50 20 ICGD CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 793389974 ZYIXORDZQDNIIB-UHFFFAOYSA-N 429.838 0.849 50 20 ICGD CN(C)CCCOc1cnccc1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 808187397 GQFNRPADUZUIJQ-UHFFFAOYSA-N 439.480 0.532 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)nnn1CCOc1ccc(F)cc1 815569015 CTMLKOZNDANSNG-UHFFFAOYSA-N 441.423 0.528 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2F)cc1OC 859308643 ODVULYKBYYXPRZ-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc2c1OCCO2 919954022 APCCLWTZSPJHLC-HNNXBMFYSA-N 436.398 0.306 50 20 ICGD CC(=O)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 920057893 RJYBJQSZRONNGA-KRWDZBQOSA-N 442.384 0.713 50 20 ICGD O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1 921304686 RODQFZBZMVROQT-DLBZAZTESA-N 430.486 0.005 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 1261201015 QCSTUUUJFMNCRA-GJZGRUSLSA-N 442.538 0.010 50 20 ICGD COCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371363 SKWCWFAAFWQXGU-DYESRHJHSA-N 433.509 0.239 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213987 FXQOZJDWFBFALB-PMUMKWKESA-N 447.374 0.657 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1782243894 HDKLASFAEDWJTP-QFIPXVFZSA-N 442.520 0.390 50 20 ICGD COc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1783776880 UGYPUKVYOCNXTI-RUGDWHBFSA-N 426.897 0.653 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1783874051 CAHDESVFWACFPW-YWZLYKJASA-N 445.944 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn(C(C)(C)C)c1)CCO2 1783936449 NSGYGEXYRFDMQZ-NRFANRHFSA-N 434.541 0.455 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788144592 RQLRKOQHTOERHK-IBGZPJMESA-N 435.289 0.735 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793758953 SDOGBUIMYVKHJA-QDMKHBRRSA-N 425.493 0.601 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188877 WSBBZEQKGNXJDX-ACDBMABISA-N 449.316 0.648 50 20 ICGD Cn1ncc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)cccc21 1796191365 CUFITWTXAPGJOX-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)[nH]n1 1798173195 ICAWNBAFSIBZJC-KYZVSKTDSA-N 433.896 0.929 50 20 ICGD CC(=O)O[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(C)C 1798440516 NGJYIXYNZVTVPW-KRXQYRFLSA-N 431.493 0.525 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2)N1CCN(C)CC1 1799185863 QEQXXPIREPTBGJ-FDQIELQPSA-N 435.396 0.448 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800158283 HNWVTVNGHZPVAD-HNRZYHPDSA-N 442.289 0.924 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1800756110 GBUCOFXTDFSAIC-LBYCQVNQSA-N 425.327 0.845 50 20 ICGD COc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801646255 YLWYCCJDOCPKDS-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362851 KEPQHTDDDUPDOH-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cc1noc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807365707 WFBLMMBGZSOCJB-UWJYYQICSA-N 449.276 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808416573 BGHYLBQGSMDOEZ-MKRXTUIOSA-N 449.515 0.749 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)C1 1809967822 LUEQVGDOLDBMJG-OAQYLSRUSA-N 436.317 0.945 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H](O)c3ccco3)CC2)C1 1809977236 BKEXYQBATTXWTF-IBGZPJMESA-N 426.278 0.538 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1810302876 NAKRYEBOWPLHQS-KFKAGJAMSA-N 438.488 0.579 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1811000145 RQNHQGPFLXBNTL-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCCC2)n[nH]1 1814484715 NKCDACHNMOPAPA-QGZVFWFLSA-N 440.508 0.810 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)[C@@H](O)CCl 1814877954 PBGZDWHQZWQGNY-ZJUUUORDSA-N 425.795 0.680 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666703 DUHUXIXYRFAFBS-JQWIXIFHSA-N 426.861 0.207 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676339 YGCGKRPSPXILDN-BDAKNGLRSA-N 428.316 0.773 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817465164 SKMGKOZSLHFBDP-NEPJUHHUSA-N 434.844 0.046 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825079347 YDOWNVIYZLNRLU-SOUVJXGZSA-N 428.917 0.458 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923331 DVEZBDOBUISHOO-OXQOHEQNSA-N 441.532 0.957 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829713496 OQPRFRGFKOFKTE-IBGZPJMESA-N 445.658 0.343 50 20 ICGD O=C(c1cnnc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728031 NJFAFFQIPLUYDD-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738582 QCWQNVXTOXDXKO-SYNHAJSKSA-N 425.913 0.316 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833091640 KRPVETLYTOTGSH-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833386250 RGWMXWAVHPYBFS-FOIQADDNSA-N 440.928 0.864 50 20 ICGD Cc1nn(C)c(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)c1F 1834027851 VQFFJAHVPUSJKS-OAHLLOKOSA-N 429.924 0.653 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835628407 OYTMCLNWNQUQDD-IRXDYDNUSA-N 435.308 0.872 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628666 FGQGFSQLGWZEGR-SJCJKPOMSA-N 445.314 0.809 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835997741 AHLRVQULNSPMOR-MOPGFXCFSA-N 446.331 0.541 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837248692 YFWKPUSQTXPCBZ-JDSYDOCNSA-N 427.929 0.685 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839142461 PQPLRXZNHHQZON-YWZLYKJASA-N 440.928 0.608 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198094 SXQTVBZZJAAYAX-CZUORRHYSA-N 433.278 0.664 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839962243 YQMHALMCTAQFBW-QFBILLFUSA-N 446.386 0.958 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839963494 MEABYJCJWKCIAD-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031323 MFCXGMNVUCFCEJ-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840034292 HKFYNZMTDJJIJL-DYVFJYSZSA-N 428.283 0.173 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 1840185026 JLFMSIQHLJYKJB-SPEDKVCISA-N 438.569 0.642 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840493130 ATPPNYAWLLBJSB-SUYBPPKGSA-N 447.305 0.899 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnco2)C1)NC(=O)NCc1ccccc1 1841730076 LMZBRVFQAUWOPB-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845872648 KXIVUQJSQVLYNU-SBNBMVPLSA-N 432.322 0.845 50 20 ICGD COC1(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CN(C(=O)OC(C)(C)C)C1 1847559873 UBNFNHTXRTYGEJ-SOUVJXGZSA-N 445.944 0.814 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2C(F)(F)F)cc1O 10213782 KSDSQNKOVAAPKF-VIFPVBQESA-N 432.380 0.792 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3F)c2)CC1 15991435 ONXZIWKNFUVQCR-UHFFFAOYSA-N 448.476 0.753 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1=O 17060803 ANVAEJDEIRADCL-UHFFFAOYSA-N 426.429 0.662 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 24260037 NKOQXMCZNMSQSP-UHFFFAOYSA-N 426.476 0.390 50 20 ICGD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)C1CCN(c2ncccn2)CC1 728948433 GNMOBIZNKXADKQ-ZDUSSCGKSA-N 429.447 0.908 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)COc2ccccc2O)c1 730826694 ZORGDLAPRAEDHI-UHFFFAOYSA-N 429.477 0.593 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734240462 RRSQCMJQOVKFJB-UHFFFAOYSA-N 428.511 0.878 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)nc1 734282414 VUXIHETUDCGQRB-HNNXBMFYSA-N 439.586 0.563 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 735116715 CTDJOFLBQQCVCY-UHFFFAOYSA-N 444.517 0.659 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)C(=O)NC(C)C)cc1 744446490 AEVLMZQXKKDJJQ-MRXNPFEDSA-N 438.506 0.104 50 20 ICGD CC(C)(C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1 744618798 CQLPFDKQKDDFIF-UHFFFAOYSA-N 438.466 0.691 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746636926 IRYVSBNMRUYVAX-UHFFFAOYSA-N 431.474 0.263 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1cn3ccccc3n1)OCO2 753853925 XSKHYYRWPIRYTP-UHFFFAOYSA-N 439.384 0.178 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 756476912 SQJWSXGLOKXNRU-NSHDSACASA-N 438.466 0.139 50 20 ICGD COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 756500363 HIRPUPGNTRIWQM-GOEBONIOSA-N 436.509 0.328 50 20 ICGD Cc1ccc(-n2nc(Br)cc2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758024431 FHZTYPCOIBPSEZ-JTQLQIEISA-N 444.311 0.642 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccn1 758841621 QDRZZRNLZLZVIG-SNVBAGLBSA-N 432.418 0.442 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1OC 759636294 ITELGCJKDLJVQP-UHFFFAOYSA-N 442.538 0.212 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 761431199 PVHCUVUWHWRZQV-UHFFFAOYSA-N 425.488 0.710 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)c(Br)c1)N[C@H]1CCS(=O)(=O)C1 761948395 DKGLCCWDRVWOHK-ZETCQYMHSA-N 446.732 0.782 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNc1nccc(N2CCOCC2)n1 762867207 HKNPQGHZAMNZME-UHFFFAOYSA-N 442.448 0.403 50 20 ICGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 763531621 PSLNICBQOLWQAW-UHFFFAOYSA-N 449.511 0.997 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCC(N(C)C)CC3)cc2)n1 763880832 JDAKVJPHQIYIQU-UHFFFAOYSA-N 441.536 0.816 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(c2ccccc2)=NO1 766636101 JMUSKIGCINSMHR-HXUWFJFHSA-N 435.484 0.785 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767630387 ZRCTYPQBYZUOEH-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)cc1 778441546 VOFLCMRFBQLNGD-FQEVSTJZSA-N 433.465 0.434 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)[C@@H](C)O)cc1 779497753 CKTNPWLYBHXPLN-ABAIWWIYSA-N 426.882 0.532 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782896086 BLPMLUADOTZQNG-UHFFFAOYSA-N 447.473 0.474 50 20 ICGD O=C(NNc1cc(Cl)ccn1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784856937 ZJFJGJDBVCWIIS-UHFFFAOYSA-N 446.895 0.879 50 20 ICGD COc1ccc(C(=O)CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 785063430 ODBAFDWRXJJUIY-NSHDSACASA-N 428.463 0.257 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1=O 785089556 BXPYXXAKJBSHMP-INIZCTEOSA-N 440.460 0.030 50 20 ICGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 786969650 JVAQQJQNACQREM-OBGWFSINSA-N 441.513 0.962 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H]1OCC[C@H]1c1ccccc1 788500468 KULFTINYGICTSC-BBRMVZONSA-N 430.442 0.099 50 20 ICGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)CNC(=O)c3cccs3)C2)c1 791553493 CAYNUXCUCGULQQ-OAHLLOKOSA-N 432.458 0.836 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCC2CCCCC2)c1 793024522 DJNYTASNDHGMKO-UHFFFAOYSA-N 431.493 0.690 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2nc3ccccc3s2)n1 793030702 HYGNJBVNUQPZSM-LBPRGKRZSA-N 430.446 0.292 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797015589 FPURMXFUSZMTJD-UHFFFAOYSA-N 434.434 0.856 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1 806973430 AUPOVPKEGLYILH-UHFFFAOYSA-N 443.803 0.707 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806989756 PMXQOPNNVHTQII-KBPBESRZSA-N 425.445 0.569 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCN(C)CC3)cc(C3CC3)nc21 807383231 QLJMEEXSNDBLQI-UHFFFAOYSA-N 429.481 0.386 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1S(N)(=O)=O 808186214 KTNARUMZONWNED-UHFFFAOYSA-N 432.462 0.443 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815571137 WHUZCUJKUDFPLJ-UHFFFAOYSA-N 441.423 0.908 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 817052588 HZCJJWKIGFMWQX-OAHLLOKOSA-N 430.486 0.899 50 20 ICGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917545112 PFNFWYDHVIPAMC-MRXNPFEDSA-N 444.579 0.192 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918399929 UFYVHANKTKYBNI-UHFFFAOYSA-N 445.454 0.959 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCN1C(=O)c2ccccc2C1=O 919788626 QYSFXVGEBBVCPH-UHFFFAOYSA-N 427.373 0.600 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)N[C@H]1CCS(=O)(=O)C1 919888947 IIKDZFSSNITEPD-NSHDSACASA-N 442.295 0.970 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 921301570 CYWUYKDMIDIUPB-UHFFFAOYSA-N 448.501 0.689 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2ccccc2c1=O 1251338886 VKORALFPESNMTP-AWEZNQCLSA-N 430.424 0.619 50 20 ICGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC1CC1 1327706064 KUDSTBFROXKEFU-AWEZNQCLSA-N 431.536 0.242 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CBr)C2 1777976797 GUNNUGUPOIMDSI-UHQDVWGKSA-N 447.374 0.978 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778675038 GBFZSODAFABLJJ-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD Cc1ccc(F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029242 PSYYCBSVJZCQPE-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779732342 IRHBLQGBWXTOGU-FQEVSTJZSA-N 446.414 0.116 50 20 ICGD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780033731 MCXVUCLLOVPQAQ-HRAATJIYSA-N 445.907 0.614 50 20 ICGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945270 FVKYAUJFXHJADB-HNNXBMFYSA-N 437.305 0.085 50 20 ICGD Cc1cc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1785063243 VNNBHYLHJHGXPO-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)o3)[C@H]2C1 1787782395 ASGWZDGSEIKUPU-YDHLFZDLSA-N 426.901 0.899 50 20 ICGD C/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790798455 GTYIXOIFKFHVNQ-AMSJRMJBSA-N 443.548 0.888 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311407 LVRFKPKHBZYSRA-AVGNSLFASA-N 439.507 0.496 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C 1794676018 KMGXKFKDALNLTE-LLJCUJCISA-N 438.488 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc2cc(Cl)ccn12 1796055483 YDXFKHKUSXGVAP-YHYOWMERSA-N 427.288 0.791 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796192613 MRAJKQRUXDQVRD-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD COc1nc(C)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798938096 BRTRYCXZXKJTMB-QDMKHBRRSA-N 438.488 0.963 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1800762406 RRQMXZJOXRXENT-NRWUCQMLSA-N 434.331 0.884 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801001793 KQSDBXCEMDZTDO-CEZQWSGLSA-N 435.315 0.223 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccco3)no1)C2 1801011156 JBBQKANCDDKAII-VTEUUUEMSA-N 445.476 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncoc3c1)C2 1801011382 JBPBMEDPTAZNTK-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443644 PFXNCRMFULQYQK-QVHKTLOISA-N 426.311 0.971 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802598417 WVTPSNNJBPMKFE-IEBWSBKVSA-N 425.294 0.506 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2 1802844891 MPDXSYMJUPJNCG-COWZWYNKSA-N 444.305 0.786 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805893087 KNKXVFQMKZAVQY-QAPCUYQASA-N 448.487 0.447 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807363073 NVESQUGSCHWNSL-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373926 DQMIVNJSYGTIMU-PZJWPPBQSA-N 446.272 0.028 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807384777 YQCPTLJHJASHHF-ABSDTBQOSA-N 442.907 0.973 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)COC1 1812492824 NEZXRFVARXLVPL-PXNSSMCTSA-N 431.537 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1 1813070801 KKSVJJKAGQUKPF-UTKZUKDTSA-N 427.509 0.357 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnn1 1813074022 NVUOYSKMQNAUED-SYNHAJSKSA-N 442.524 0.313 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Br)[nH]n1 1815770323 GDHLITXTHAWHPQ-YGOYTEALSA-N 445.249 0.690 50 20 ICGD COc1nn(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816314339 LMZPIGPEDZDPDK-OAHLLOKOSA-N 446.512 0.831 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801149 ZKMXTFCRCZVDIP-VXGBXAGGSA-N 445.549 0.708 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820706157 QQFKCRHDLVXDNV-LBPRGKRZSA-N 431.522 0.840 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@@H](F)Br 1820930418 FYKUHWSPOKIHJD-NOZJJQNGSA-N 445.249 0.644 50 20 ICGD CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)COC1 1821825170 ACBLASNYBFVUKW-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(N)=O)n[nH]1 1821951402 BHTARDPJAKUULX-ZIFAQYRBSA-N 442.480 0.801 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)no1 1822697209 ZSKQSMWUSIMZFY-SFHVURJKSA-N 437.265 0.935 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1825276171 QOCQALYWJKETTP-CYBMUJFWSA-N 443.290 0.002 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCBr)CC1 1826357587 AYNXRBYNPFDPBC-LSDHHAIUSA-N 431.375 0.984 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829618110 RZGKORMOKMIURI-NVXWUHKLSA-N 447.923 0.923 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829859751 JVAGRSMMSWIOAS-HEHGZKQESA-N 438.294 0.048 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1830538136 WOUXTIFLZIILMT-GUYCJALGSA-N 429.315 0.521 50 20 ICGD COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736969 YWMYSILRSCJXSP-UZLBHIALSA-N 426.897 0.294 50 20 ICGD CC(C)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccn1 1830738068 LJVGBQCHNDILFL-QRWLVFNGSA-N 425.913 0.415 50 20 ICGD Cc1cc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830738388 NYDRKGCPOLTEJV-LPHOPBHVSA-N 432.851 0.943 50 20 ICGD COc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830738597 QKDSEFURZKTSIM-LPHOPBHVSA-N 430.860 0.504 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](Cl)COC)CC1 1831830710 HETQQDUYINBYTL-HRCADAONSA-N 433.933 0.924 50 20 ICGD CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1832406064 KMJGSERMOKSZHK-FXAWDEMLSA-N 431.961 0.163 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971595 SOTNKCOKCNUWQL-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601344 HRFVKQNGBVJBHV-SCLBCKFNSA-N 443.294 0.741 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834821709 UWRRHSSVGYIEPJ-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834823353 PQTOOBSARACMPK-LMKMVOKYSA-N 439.372 0.387 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835168806 FBVSRLLSUUEVRL-PKOBYXMFSA-N 428.844 0.949 50 20 ICGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835245342 NXZHMILQNQFLLW-DLBZAZTESA-N 427.325 0.342 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935326 OPZOAGZEZYDPDP-NRFANRHFSA-N 444.318 0.120 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836084794 SFKTZUNANHKHBR-DYVFJYSZSA-N 432.930 0.099 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCCC1(F)F)CCO2 1836621136 ATFDTTNMXKNIOB-XYPHTWIQSA-N 442.862 0.960 50 20 ICGD O=C(c1cn2cc(F)ccc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836957296 PUVFWIAAUDJYMO-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825636 HUNFMBLHNIHHHW-MRXNPFEDSA-N 445.270 0.778 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839962154 WBBFGTMAARLYCN-JCKWVBRZSA-N 445.310 0.943 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840034464 MGAHTCLYFWEKDW-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840152079 WTMBQHCLPWTHBT-PBHICJAKSA-N 435.308 0.247 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840154925 KNTKJFBACLZYOZ-QRWLVFNGSA-N 440.928 0.233 50 20 ICGD O=C(CCc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840545170 XDHBOBXIPLYBAR-PXNSSMCTSA-N 428.888 0.814 50 20 ICGD O=C(c1cc(=O)c2ccccc2o1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010406 MIEHPUZLTKFCJJ-UHFFFAOYSA-N 432.241 0.604 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CBr 1847498371 DBJATCUBEBXPMI-HJPIBITLSA-N 433.299 0.714 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)o1 725890743 YIHVSZXZMBGCLK-UHFFFAOYSA-N 440.526 0.293 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@H](C)NC(=O)C2CCCC2)cc1 727098516 BQTNKUSDRJWHPR-HNNXBMFYSA-N 438.550 0.848 50 20 ICGD CCOc1ccc(OCC)c(NC(=S)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 727492498 TWDXJZSEQPFMHV-UHFFFAOYSA-N 442.523 0.346 50 20 ICGD COc1ccc2c(c1)OC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)C2 728340328 VMTRMFTYEPVBAV-LIRRHRJNSA-N 442.424 0.777 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 729407924 KHEXUGJZNUKZSO-VQPBAUKFSA-N 437.518 0.893 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](N2CCCCC2=O)C1)c1csc(N2CCOCC2)n1 732820490 OVAVPWKAPUJOCN-AWEZNQCLSA-N 436.538 0.811 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 734120265 PLJQASUWKJFSMV-HNNXBMFYSA-N 435.506 0.289 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1cnccn1 734243923 KTEBHQLBRYFJDJ-ZDUSSCGKSA-N 447.926 0.355 50 20 ICGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117963 KGRDNNOURVTFAY-HZPDHXFCSA-N 441.554 0.435 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccccc2OCCN2CCOCC2)CCS(=O)(=O)C1 744868907 IUDGYEXZASIRNO-LJQANCHMSA-N 426.539 0.279 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)n(C)c2n(C)c1=O 748339981 UPVHDZCJYHJYDX-UHFFFAOYSA-N 446.471 0.673 50 20 ICGD O=C(NNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)N1CCCC1 751061591 XVTKZLRPGGZSHR-UHFFFAOYSA-N 438.487 0.638 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C[C@@H](C)O1 751427235 ZLZYLGBRYARNIX-RBSFLKMASA-N 438.550 0.658 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)NNC(=O)CO)c1 755392328 OFOVBZKNKULDCF-UHFFFAOYSA-N 427.527 0.852 50 20 ICGD CCc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccc(OC(C)C)cc1 758043235 GIQCEKJZCRMCSL-LBPRGKRZSA-N 438.510 0.316 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 758350195 BTIZIEZKGWPNQY-UHFFFAOYSA-N 436.490 0.376 50 20 ICGD O=C(NCCCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccnc1 758514019 XUTDZFKSVYGZNN-UHFFFAOYSA-N 433.328 0.418 50 20 ICGD O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)CBr)CC1 758524086 TUNNABJENDKMJT-CYBMUJFWSA-N 430.324 0.866 50 20 ICGD COc1cc(F)c(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 760239999 QIBCSNCEGVNBMH-UHFFFAOYSA-N 425.442 0.268 50 20 ICGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 760335486 QGPWMADFCLIMRO-MRXNPFEDSA-N 426.472 0.630 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 763429979 CTXSMKZUGZZNEM-UHFFFAOYSA-N 432.458 0.107 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)nc2Cl)c2ccccc2c1=O 763785562 IAFUGXJORYJLSY-UHFFFAOYSA-N 444.835 0.873 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccnc1-n1cccn1 763944693 OTZVILDHERDFQI-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 764005129 VHHNOHAYULPUSS-UHFFFAOYSA-N 449.265 0.378 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764151941 ASEQEQKVTCQPIU-QGZVFWFLSA-N 447.469 0.196 50 20 ICGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 764266563 NXRKPCKTDGBPTI-UHFFFAOYSA-N 437.504 0.862 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764526447 ZCYIZTODPZNQBG-CQSZACIVSA-N 446.485 0.850 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc(C(C)(C)C)cc2)n(C)c1=O 765721763 IHSPRTNILJLLCD-UHFFFAOYSA-N 440.504 0.511 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Sc3ccccn3)o2)n(C)c1=O 766454051 UGANXCTUJOJCJN-UHFFFAOYSA-N 439.457 0.723 50 20 ICGD CCOC(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 767185761 UJVMUJQOZGTSFP-UHFFFAOYSA-N 426.451 0.546 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)c1cccs1 767373044 LRCRNQFKPZEQNP-UHFFFAOYSA-N 438.531 0.274 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1=O 768636002 NQTKHYNKIOMZHM-GJZGRUSLSA-N 438.550 0.875 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 771974453 MEKBAUYXFUOCEA-LLVKDONJSA-N 447.897 0.464 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897660 KEPHHOUGWDLMKH-JTQLQIEISA-N 444.922 0.532 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)s1 773230090 BLPIXEDFKCASJX-UHFFFAOYSA-N 447.560 0.867 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 773731838 WFDNLYBZWUZOOQ-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C 776077926 YOMNMPBWAWQPBQ-HNAYVOBHSA-N 425.507 0.749 50 20 ICGD O=C(NNC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 782550814 RGCSAZHMOSUVQA-JTQLQIEISA-N 444.413 0.079 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783428119 UEKMJDHHKWIPQE-KRWDZBQOSA-N 446.551 0.365 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 785727189 WGZVTFBPQOGDBM-MSOLQXFVSA-N 429.473 0.740 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)C2)c1 792649206 OXZDRHYAUUHODF-KRWDZBQOSA-N 427.417 0.169 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 794598621 JVSMARMTDGCQFE-UHFFFAOYSA-N 434.430 0.253 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)[C@H]1CCS(=O)(=O)C1 808044053 MPKVNGOIVLSOBW-ZDUSSCGKSA-N 446.522 0.884 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)ccc21 815780375 VPIPDFSTJYGCQZ-QGZVFWFLSA-N 429.477 0.775 50 20 ICGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)C1 816806197 VNSKBXUJGZGTRL-MRXNPFEDSA-N 432.502 0.795 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1ccnn1C)N(S(C)(=O)=O)CC2 914555267 MPGRVOCAGQQJBP-MRXNPFEDSA-N 435.506 0.837 50 20 ICGD CN(C)N(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1324799094 YLZRHQXXVLUMEE-HOTGVXAUSA-N 440.522 0.039 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777710474 RJXYQUGPQLTVIM-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1780098835 JKGCHKNLRZXZTB-OAQYLSRUSA-N 445.428 0.943 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cccc(-n2cncn2)c1 1781126728 CNISEEWTZUORFT-WAOWUJCRSA-N 447.923 0.995 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933237 SXHAJBUAPRNTQL-FQEVSTJZSA-N 438.550 0.963 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947263 QXEPQDAODRQOOG-MEDUHNTESA-N 426.297 0.463 50 20 ICGD O=C(NC1(c2ccc(NC(=O)[C@@H](O)CCl)cc2)CCC1)c1cc(=O)n2[nH]nnc2n1 1786133609 OAJIWIYEMVLPGE-ZDUSSCGKSA-N 431.840 0.160 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(F)c1 1786981981 UXKGJWUEPARUQM-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1789864312 PQCUFRRIKCBGMY-AJNGGQMLSA-N 426.901 0.254 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792563616 AHBVXQMYZXBYRU-MGOFVVPESA-N 440.504 0.617 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)C1 1792964237 RDLKQVQAQKCVAE-YMSVYLFOSA-N 431.327 0.950 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983090 CHGOQUFZQYCPAQ-QKGCVVFFSA-N 433.933 0.479 50 20 ICGD C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795510475 FXJBPAMMRSNCND-NIFZNCRKSA-N 432.949 0.303 50 20 ICGD COc1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889700 BKLKPVLZNRNDDK-SSJPOKSSSA-N 439.476 0.871 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)[C@H](O)CCl 1797658316 YNCZUCDQYVADSY-NWJSVONSSA-N 444.879 0.422 50 20 ICGD CC(C)(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nn1 1799435110 CNNXCGOOROKZQO-BJWYYQGGSA-N 425.298 0.279 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Br)C4)(C1)C2 1800704484 GHJLHGNOBWLOIA-SZPGRNNZSA-N 433.274 0.610 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3n1)C2 1801011676 YDELNVTVPSDVQO-VPTLXERWSA-N 440.504 0.206 50 20 ICGD Cc1cccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)c12 1801013075 UGHCLPZHYIVZKY-CWPLJXCYSA-N 442.520 0.219 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C(=O)OC)cc1 1801145232 CKFXRJASBFJETR-ZMMAXQRCSA-N 438.908 0.859 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cncn1 1802800945 GUODGRPWCFIRQL-BDHJUDLHSA-N 426.481 0.440 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803649972 HDESELBCMWBYAD-DOERSZECSA-N 425.283 0.979 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cncs1 1805972132 HWZIXKWENGDDAY-APWZRJJASA-N 436.302 0.851 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1810542340 ZJYVPVNEGLTKBT-RLFYNMQTSA-N 447.568 0.537 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)no1 1810976354 BRSFTOPRKVKPKK-HNAYVOBHSA-N 436.233 0.088 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1813030817 GNABANPOFSZKSJ-KCYZZUKISA-N 442.900 0.406 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1813072461 AETBBVAGXUAZAD-HXJZBFLFSA-N 431.493 0.491 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]n1)c1ccc(B(O)O)cc1 1817476013 ZTNXUPMQQPWKRS-FPAYPSAMSA-N 438.293 0.963 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)O1 1818731532 RCUMMPNIGNBBOB-DIOULYMOSA-N 429.307 0.616 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](O)CC2)n[nH]1 1822540310 ADVDMPOQVQCQIZ-FNHZYXHNSA-N 440.309 0.947 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1825647114 NLNMEQASDALXII-QWRGUYRKSA-N 449.371 0.125 50 20 ICGD O=C(CCc1ncc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826513228 MBLPTQKJTOYSHN-CQSZACIVSA-N 439.306 0.405 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1830537773 ODYAGUWENYPDGS-KSSFIOAISA-N 433.343 0.900 50 20 ICGD O=C(CCCc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727052 ZWQGJYLQCIMZOX-PXNSSMCTSA-N 425.913 0.460 50 20 ICGD O=C(c1cc2cccnc2s1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727696 BSUKXDUGIGNRPF-KUHUBIRLSA-N 439.921 0.966 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1OC 1830732869 WJGSSFRHOMBWAW-MGPUTAFESA-N 442.896 0.374 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)c1=O 1831888031 OQSLPRJPNVTZLC-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832384707 BQSDVOYAZATAQQ-XLIONFOSSA-N 440.899 0.913 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833708832 HHBYBONNMHCHOG-ACJLOTCBSA-N 432.880 0.191 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418876 CQAMQZVBKSUACB-ZWKOTPCHSA-N 448.303 0.799 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837808722 VKIBVEDFQIRAOL-PIGZYNQJSA-N 429.315 0.880 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839141976 AGRUWCJEIOTSQA-JXFKEZNVSA-N 438.912 0.285 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839142458 PQPLRXZNHHQZON-FOIQADDNSA-N 440.928 0.608 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C3CCCC3)CCO2)C1 1839179703 LXIOCWYYRYLHGD-FGBWHXJSSA-N 436.553 0.562 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839963916 AEZXTZQHQBBLPB-YOEHRIQHSA-N 429.315 0.582 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839967403 LJIQNQWZUGKLPB-CGSPGFDNSA-N 431.327 0.509 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840031944 HPFBGJPFKMRENP-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD CCc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152996 AOQCXATUPVYOII-LIRRHRJNSA-N 429.901 0.869 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840155445 CDJPITGCLGKROD-DJPFJPOOSA-N 437.924 0.733 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182580 NYDXSHGDNLISFQ-KXBFYZLASA-N 432.949 0.223 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 1842034274 YFZLOOWVFHSECG-UHFFFAOYSA-N 447.222 0.840 50 20 ICGD COc1ccnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1OC 1844264922 YJIZYIPIFRXMKJ-UHFFFAOYSA-N 440.460 0.228 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846363477 LNFZRQCJNICESB-CYBMUJFWSA-N 426.926 0.349 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847271771 AUOHNSVGGAIDQC-CCKFTAQKSA-N 437.504 0.506 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847776865 SADHLKRABYKZAT-CMOCDZPBSA-N 434.301 0.994 50 20 ICGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 725870148 AQUFCMHFCHZVMS-UHFFFAOYSA-N 428.493 0.287 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)COc2ccccc2C#N)c1 727604127 PUCSAQRIPRUWID-UHFFFAOYSA-N 438.488 0.759 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)C1=O 728202955 DUEVMIJFXGKSGM-GFCCVEGCSA-N 436.852 0.848 50 20 ICGD O=C(CC1CCCCC1)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728340518 NAGLBPDYINFHGH-KRWDZBQOSA-N 433.461 0.604 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1C 731761248 ASAUMEJOBJCYHY-INIZCTEOSA-N 440.566 0.910 50 20 ICGD CCn1c(CCC(=O)NNC(=O)c2c[nH]nc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 731852542 XUVYEKJUGPQUHF-UHFFFAOYSA-N 447.521 0.732 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C2CCC2)c1OC 732140747 CSHTZMQRINVRQS-UHFFFAOYSA-N 427.479 0.286 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308019 QVGONKBJJONTHC-HUUCEWRRSA-N 427.548 0.429 50 20 ICGD O=C(COC(=O)C(=O)NCCCc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 732337575 MSPLWKDBHWQGOP-SFHVURJKSA-N 441.440 0.266 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733123151 VIPDAEAWDQGWQE-UHFFFAOYSA-N 443.441 0.310 50 20 ICGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 735006538 AXBREKMNROXPIV-LBPRGKRZSA-N 439.515 0.744 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)nc2)CC1 741424844 GZRFWNMESZJVJY-UAGQMJEPSA-N 438.554 0.457 50 20 ICGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 742489196 PJVACFKTXVUMMK-WFFHOREQSA-N 425.239 0.091 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([S@@](C)=O)cc2)CC1 743420219 YGFDBRJZENGMCE-MUUNZHRXSA-N 437.547 0.512 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 744059567 UJUKTCZCLLFVBR-OAHLLOKOSA-N 440.522 0.501 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCn3cnnc3C2)cc1 746601303 MNPQSNTZGMEBSF-MHWRWJLKSA-N 446.471 0.975 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)nc2ccccc21 749837132 AOZFYUGNRBFVME-UHFFFAOYSA-N 441.922 0.957 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(O)nc2c(Br)cccc12 749873833 KFPIHRRNOQQEJO-QMMMGPOBSA-N 428.264 0.899 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 755533963 NOURWRYBQVQDRW-ZDUSSCGKSA-N 425.442 0.922 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 758037922 APMUYFBLUNLXOK-NSHDSACASA-N 449.514 0.210 50 20 ICGD O=C(NC[C@@H]1CSCCN1Cc1ccccc1)NNC(=O)C(=O)Nc1ccccn1 759339043 PNSSWDKJCCGLGF-MRXNPFEDSA-N 428.518 0.968 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nc1 759737467 COGZRDSPLYONJW-GFCCVEGCSA-N 433.446 0.012 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nc2ccc(Cl)cc2n1C 760239656 OFKPEHLSWLAXDV-UHFFFAOYSA-N 435.897 0.652 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1C(=O)OC 764155032 VWZKOIPKRBKWJL-INIZCTEOSA-N 441.396 0.349 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCCc2ccc(F)cc21 764260960 USGOBJXZWOYXRK-UHFFFAOYSA-N 426.452 0.959 50 20 ICGD O=C(Cc1csc2nccn12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764463123 IPLXAPMFSIPWNL-UHFFFAOYSA-N 449.514 0.420 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1 765390942 CORUXVDVLYALEY-HYARGMPZSA-N 439.494 0.994 50 20 ICGD O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1=NN(CCO)C(=O)CC1 765466919 BBSXJKUGJLTQLB-UHFFFAOYSA-N 447.455 0.666 50 20 ICGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CS2 766644340 UYBHBQQXYGCCNC-HRAATJIYSA-N 445.545 0.046 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2csc3nccn23)CC1 768092785 DUJDQBXIPVSPFE-UHFFFAOYSA-N 435.535 0.413 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(F)cc1Br 770154017 MNFDJLRECNKBEW-UHFFFAOYSA-N 426.264 0.305 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 771443962 WOFKEZYJNXIGIX-PGRDOPGGSA-N 431.537 0.867 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1O 771606282 HCJKZVLDSAYCKB-UHFFFAOYSA-N 440.865 0.630 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 771913834 ANSPRRVGIJXUET-CQSZACIVSA-N 425.507 0.893 50 20 ICGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CC1 776275351 DPSAAJNXKVBEKU-UHFFFAOYSA-N 437.499 0.692 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 782120225 HSTIWQATSKDJHX-UHFFFAOYSA-N 430.373 0.537 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F 782896416 IEKKIZSBJLKBJU-UHFFFAOYSA-N 425.417 0.966 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 783037486 PWZGUBHUBYUNOQ-UHFFFAOYSA-N 434.474 0.798 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n(-c2cccc(Cl)c2)n1 784003021 ZOMWSPBNJRCAMS-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc(OC)c1OC 784290554 QFISCSXXCKCROP-HZPDHXFCSA-N 447.488 0.915 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 784385139 GOVOEHHWPIFINN-HUUCEWRRSA-N 446.416 0.464 50 20 ICGD C[C@@H]1CSCC1=NNC(=O)C[C@@H](C(=O)NN=C1CSC[C@@H]1C)N1CCOCC1 794911903 SYSJVKPCQUWWMY-WWGRRREGSA-N 427.596 0.788 50 20 ICGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 800317611 OXKVATMUFZMGSD-AWEZNQCLSA-N 425.511 0.315 50 20 ICGD O=C(NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)Nc1ccc(OC(F)F)cc1 802045830 RKMGJXHKEJTTFW-UHFFFAOYSA-N 427.389 0.938 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1Cl 802076609 PJTLWIWDBGUJSR-ZDUSSCGKSA-N 441.872 0.637 50 20 ICGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 806974786 UCAXMKZDRRXPEW-UHFFFAOYSA-N 444.326 0.820 50 20 ICGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 807378392 BDCSDQDJOCVWIQ-SXGWCWSVSA-N 435.550 0.687 50 20 ICGD C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)C1=O 812987715 OFVVVJRENHUZQO-NSPYISDASA-N 449.489 0.499 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)c3c[nH]nc3C)c2)ccn1 815569270 MTUVBCXKTMMSQU-UHFFFAOYSA-N 437.416 0.665 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817053880 KCKXCPQBJSQBQA-INIZCTEOSA-N 436.538 0.877 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 817054504 LYPOMOGDKRYPRQ-MRXNPFEDSA-N 430.490 0.500 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cnc2n(C)c1=O 862119576 OLCZNXFSTYGKCY-UHFFFAOYSA-N 449.423 0.879 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 912848165 IVRSYDMPEJKGAE-UHFFFAOYSA-N 443.482 0.149 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCS(=O)(=O)C1 916114193 VPSFQFCFCGDKLG-QWRGUYRKSA-N 444.307 0.384 50 20 ICGD CC(=NNC(=O)COc1ccc(C#N)cc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916300261 WHWPZCTZIXEYBC-UHFFFAOYSA-N 430.442 0.840 50 20 ICGD COc1cc(CNC(=O)NNC(=O)COc2ccccc2C#N)ccc1OCC(N)=O 916640418 DDARMOMIYRVEHR-UHFFFAOYSA-N 427.417 0.340 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(S(N)(=O)=O)c1C 916830270 ZPLFZYQWVSXWDQ-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 919688930 KJZDJUCCKRHLSJ-QGZVFWFLSA-N 448.476 0.890 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 1318545906 SLLMUDUODBAUBF-QMMMGPOBSA-N 428.264 0.486 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)CCN1CCN(C)CC1 1320342923 MKADTJUCCWUULP-AWEZNQCLSA-N 439.586 0.258 50 20 ICGD Cc1cc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2[nH]1 1777869709 GHMXKRSPZYZDIZ-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332835 FOVZHEQZTPBHND-NWANDNLSSA-N 425.251 0.123 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)[C@@H]1CCCS1(=O)=O 1781660175 IHSOXINPRLAHMO-HWWQOWPSSA-N 427.350 0.881 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782108246 NKXUIHUUJFJCLE-RZQQEMMASA-N 429.945 0.767 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(OC)n(C)n1)C2 1782173745 ODDKUOJXYFYWIR-ZBQZNYHESA-N 428.917 0.810 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783344262 SBXFBCOKRYSAKA-SJKOYZFVSA-N 429.315 0.598 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1791249215 FWUGCGIVXFOLQD-WOYTXXSLSA-N 431.961 0.771 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794445678 ZXIXXFCIGVALGF-CYGHRXIMSA-N 433.896 0.724 50 20 ICGD O=C(CCc1cc(F)ccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188348 SJHURTIUKZZCSL-ACDBMABISA-N 425.269 0.785 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188617 ZTSVGWYJRAOTLF-BCDXTJNWSA-N 445.325 0.531 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796348808 XQVIDZDBPKOEOA-MWGHHZFTSA-N 427.242 0.717 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1796399787 OMTPPHOIOLUQOS-AIEDFZFUSA-N 429.290 0.232 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(O)n2c1CCCC2)c1cccc(B(O)O)c1 1798658250 BFXBVTDMLRYRDY-BJWYYQGGSA-N 438.293 0.170 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1800978394 CUGBMMYRKVZLTH-JXUBOQSCSA-N 425.795 0.281 50 20 ICGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl)NCc1ccco1 1801016924 FRAGSZNSBRDRIU-UEWSEVFDSA-N 430.288 0.845 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801227080 DYVCSRFEXBXNFS-OPOADAIRSA-N 431.537 0.223 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804808589 SUNDWWZQOKDKAZ-JLJPHGGASA-N 431.880 0.495 50 20 ICGD Cn1cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369539 NEABMGGAAAIFFX-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817330873 TYHFYSKQYVMCJE-LBPRGKRZSA-N 438.554 0.200 50 20 ICGD N[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)c1ccccn1 1817471689 WQCKCWULBUUPJN-ICSRJNTNSA-N 448.292 0.490 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnn1 1817476019 ZVYKHFXJUZNDHX-CXAGYDPISA-N 437.269 0.248 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cccn2)[nH]n1 1819402750 JUOOGAMUXLOSLV-MRXNPFEDSA-N 437.464 0.611 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794780 CXKVGSHOOLUWMZ-LYOVBCGYSA-N 445.549 0.741 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826376291 BCVRPZJEGOKUPD-LJQANCHMSA-N 430.310 0.553 50 20 ICGD C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1829260116 FVMQZBSTCGAZJP-UWJYYQICSA-N 433.892 0.671 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830537426 HQNXFKQJQFYSSQ-JTOWHCCKSA-N 434.375 0.847 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830538323 BWZMLQIZNZDMMM-HBUWYVDXSA-N 448.358 0.341 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739031 WYMCJRVLZBTXLU-DYESRHJHSA-N 438.908 0.681 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831478470 VVTHVNHNPCETBO-ZWKOTPCHSA-N 438.352 0.594 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869502 HXFKFPCIONGHHE-OALUTQOASA-N 437.585 0.894 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1832065886 CHKRFIWINYZDSV-QGZVFWFLSA-N 446.508 0.274 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3cccs3)CCO2)C1 1833033098 MRBSJSNZVGSTQI-KUHUBIRLSA-N 443.953 0.952 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1836202613 RADKXSXXCHNNMV-YOEHRIQHSA-N 429.315 0.431 50 20 ICGD Cc1cnc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1 1837443642 GUINYBPUFMTBLC-UHFFFAOYSA-N 446.552 0.770 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cncs3)CC2)CC1 1837553963 JEGIBSTVCDWYJW-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1837717938 RXPVCFIOHMDLRD-HXUWFJFHSA-N 437.569 0.638 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1838786292 NBQJINFXTLXJQC-CZUORRHYSA-N 428.921 0.487 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839100089 HGOBOMHKNGDUMZ-LVCYWYKZSA-N 445.004 0.486 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839150770 XCEKRLNNBXMJCI-IRXDYDNUSA-N 438.308 0.131 50 20 ICGD O=C(c1ccncc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200792 NGBYMYXZBUREIR-CZUORRHYSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839963258 FZQBYBZTAZKMQV-KDOFPFPSSA-N 446.342 0.239 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)ccn1 1840033508 HVKOCBFWDOZXCC-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840033619 LOQXDIAZJPBXDQ-ACJLOTCBSA-N 441.326 0.683 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840152573 MKXHIRHVMMXGDY-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188546 OVWVRERNESZPDN-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1842252747 PLBMSPVFAZDOMS-UHFFFAOYSA-N 430.701 0.447 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1cc(Cl)cn1)C2 1843415777 KSPFMUCAQFVUFP-YDZHTSKRSA-N 431.884 0.874 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1ccc(Cl)cc1 11303346 FQIBQUDHEGPSFR-UHFFFAOYSA-N 443.840 0.762 50 20 ICGD CN1/C(=C(/C#N)C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)Nc2ccccc21 18265353 JQEJFZIAPDNSJO-GDNBJRDFSA-N 425.836 0.953 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 23393586 VPIMATNUHJZRNP-LBPRGKRZSA-N 443.503 0.510 50 20 ICGD CC[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1OCC(=O)N(C)C 725871461 LHQVPJOFMOYPRL-HNNXBMFYSA-N 445.476 0.958 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726444899 QXQIZZJBFLZKQH-NSHDSACASA-N 426.495 0.936 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 731852311 RSVIWBLYKAQOAX-UHFFFAOYSA-N 442.295 0.996 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c2ccccc2c1=O 731865683 QXQPTZNJNXQCHL-UHFFFAOYSA-N 428.449 0.290 50 20 ICGD CCNC(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 732050234 OHPSOCJRVOPDNI-UHFFFAOYSA-N 432.502 0.842 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 741882068 KFJARMBTUJHBQV-UHFFFAOYSA-N 434.430 0.532 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 743254432 PQZRCFTURNSFDW-SECBINFHSA-N 426.314 0.437 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743293663 GVNHTBBGDLGALF-CYBMUJFWSA-N 445.501 0.772 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2c1=O 750654829 IDSCGNDKYBBITO-ZDUSSCGKSA-N 426.477 0.904 50 20 ICGD Cc1csc(C=NNC(=O)C[C@H](C(=O)NN=Cc2nc(C)cs2)N2CCOCC2)n1 755743219 MCIVDQVQFVHWMY-CQSZACIVSA-N 449.562 0.908 50 20 ICGD Cn1c(=O)c2cc(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cnc2n(C)c1=O 755846526 LMMORPFJTUDMEA-UHFFFAOYSA-N 449.468 0.090 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756094379 KKXSKUNDHDGLAC-YXUGBTPSSA-N 442.472 0.602 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)c(OC)c1 761284263 ZYTPSLSWKHHMAJ-UHFFFAOYSA-N 432.480 0.743 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OC 761322396 DPPNINBYZLPAEB-UHFFFAOYSA-N 434.474 0.743 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccnc1 763489271 ZHEJAJUFCIJSCJ-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cn1 763595446 PJRVWWULBHQZAX-UHFFFAOYSA-N 430.465 0.092 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1 763622192 ADYJVCAJOQOKBB-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 763774910 JPKSLESERIWISO-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)c(F)c2)c2ccccc2c1=O 763785524 HDNGMSVHAKEBGS-UHFFFAOYSA-N 427.392 0.964 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 763993294 NJGFSXYIMUYNDP-KQWNVCNZSA-N 446.489 0.238 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764006663 RZNOBHWDULSBGM-UHFFFAOYSA-N 441.444 0.398 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n[nH]1 764106626 NVYSABHWGCFIEI-UHFFFAOYSA-N 448.505 0.683 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cn2)C[C@@H](C)O1 764275288 LRISWPYPCNMJQH-OKILXGFUSA-N 443.460 0.566 50 20 ICGD CCN(CC)C(=O)CCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766655923 YFTJAVKFRZBERP-UHFFFAOYSA-N 431.537 0.631 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CSCC(=O)N3CCOCC3)n[nH]2)cc1 768269078 GUXIKGWLFXZFIA-UHFFFAOYSA-N 431.518 0.992 50 20 ICGD Cc1cc(NC(=O)CSCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)no1 772192636 NDMPKFQWFRQEMN-UHFFFAOYSA-N 439.881 0.772 50 20 ICGD C[C@@]1(C(=O)N2CCN(S(=O)(=O)CBr)CC2)Cc2ccccc2C(=O)O1 777833193 VSJRQOPWPJQFFZ-INIZCTEOSA-N 431.308 0.985 50 20 ICGD CCn1c(CCC(=O)NN(C)C(N)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 778415519 JISBSPJVUQKUHQ-UHFFFAOYSA-N 438.510 0.051 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1 779489840 VAPVQJWKWZILHG-CABCVRRESA-N 425.430 0.128 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 780516796 AOBYBMTZYPDHCU-WBVHZDCISA-N 432.433 0.282 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1OC 782402990 XCCDDCIOYRDWNO-UHFFFAOYSA-N 443.341 0.692 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782834525 YDBGYEQMXUXPTE-UHFFFAOYSA-N 447.400 0.604 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNc3ccc(-n4cccn4)nn3)n2)cc1 783435871 BDJIYEBDYCWWIW-UHFFFAOYSA-N 433.432 0.998 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 783934500 SQSYZBRRGVFPKE-UHFFFAOYSA-N 433.490 0.801 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)o1 785061348 WPCNDWIGWUPNGL-UHFFFAOYSA-N 448.443 0.779 50 20 ICGD O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)NNC(=O)[C@@H]1COc2ccccc2O1 792782378 FRLUDVLZKQEZCH-AVRDEDQJSA-N 426.425 0.437 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1C(=O)OC[C@@H]1C)c(=O)n2Cc1ccccc1 794880007 PAVVCYLXKKSHAW-ZDUSSCGKSA-N 438.444 0.093 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CSc2ccccc2OC)c1C 797011501 KBCSTWAVNFMMPR-UHFFFAOYSA-N 435.462 0.251 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797369387 UGKFZYAWEFVJAF-UHFFFAOYSA-N 429.433 0.881 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1C1CC1 807093026 HGQMIYAJWWZVOH-UHFFFAOYSA-N 437.500 0.711 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 810275681 VNGNUNUPQPCOMM-QGZVFWFLSA-N 432.458 0.074 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(C(=O)NCC(F)(F)F)cc1F 810387432 WEAIIKDBRRXRTE-UHFFFAOYSA-N 444.345 0.478 50 20 ICGD COc1cccc(-c2noc([C@@H](C)NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)n2)c1 814307408 GXAGEHSLNKLECH-YPMHNXCESA-N 426.437 0.991 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnn2c1OCCC2 815827482 BHYSLUJAQPZGFN-UHFFFAOYSA-N 432.912 0.898 50 20 ICGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC(C)C 822790329 AVVKEIFBIMCCEY-AWEZNQCLSA-N 433.552 0.488 50 20 ICGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912920138 VVMPPOXUXFDPOR-ZNMIVQPWSA-N 426.539 0.778 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccnc2N2CCOCC2)cc1OC 913277937 WCTAWUQVSBYSNV-UHFFFAOYSA-N 444.444 0.553 50 20 ICGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C(F)(F)F 915077179 IGBHWOAAHUYULH-HNNXBMFYSA-N 434.396 0.425 50 20 ICGD NC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 916480241 KARWBIYFKUOUAS-UHFFFAOYSA-N 445.501 0.714 50 20 ICGD O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NNC(=O)C(=O)NC1CC1 916633944 SKFKHKNMPLXCPQ-UHFFFAOYSA-N 429.399 0.651 50 20 ICGD O=C(NNC(=O)c1cnc2ccccc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 917510460 TYDCUAAHESHLNP-UHFFFAOYSA-N 441.469 0.726 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c2ccccc2c1=O 919805704 IOOQNXHYSUDNQL-UHFFFAOYSA-N 431.430 0.085 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888443 CUSNFDCXJWHQKV-CABCVRRESA-N 443.501 0.311 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 920297544 JKGMGQHRCJYIDO-QMMMGPOBSA-N 435.384 0.295 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 1320542813 GXBYOPCWYCQHSK-UHFFFAOYSA-N 434.493 0.845 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 1322962130 MNWMTRYEHAFWNF-ZDUSSCGKSA-N 432.543 0.789 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)F)C2 1778091546 USGIZJPZEOVTTH-YUTPFWQESA-N 425.436 0.899 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781652183 WLFOFAWFEGGZCY-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 1783387285 NSOYMMOGEZPRKY-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783993594 PLNHNEOQQAXGID-RBZJEDDUSA-N 447.960 0.869 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785001809 ODBKFQZSDFZSOZ-WPUCRFQZSA-N 443.859 0.856 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC3CCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982640 ATCNJJMVXAFSFT-VDGAXYAQSA-N 446.378 0.636 50 20 ICGD CC[C@H](NC(N)=O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1788545844 URJMLDHIGYQENE-INIZCTEOSA-N 432.525 0.940 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1793879060 DPBSLCWJPNZZCL-QRJUGERDSA-N 445.944 0.887 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C 1794744196 GOTOJFXWDZWJJX-SNOXVSQISA-N 441.492 0.066 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2)c1ccc(B(O)O)cc1 1795736692 GERZWCLHLNMEPQ-VPTLXERWSA-N 444.243 0.091 50 20 ICGD COc1c(Cl)ccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191804 AQCOLCSGWXUGDJ-MUJYYYPQSA-N 443.696 0.989 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192055 FGXQNVGUIMOFPO-WKCHPHFGSA-N 434.301 0.796 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102584 GIZUDDGTAQGBKD-ORXSELOVSA-N 427.255 0.161 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798640786 GDNJLDZVHGUQLC-NSKVJOCLSA-N 440.460 0.124 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347005 HJSCXYUPVKBVFG-YVPHMZQXSA-N 435.319 0.293 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1800177366 BQJHSUVTAAVGHT-AICCOOGYSA-N 433.933 0.500 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1804913191 FKWAWAXCGJXJTJ-GOSISDBHSA-N 444.536 0.445 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnsn1 1804993925 FHNITNPXBNHZEI-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362347 KCQLVIGYELOCAY-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1810422040 GHHHMEHHGFKWIR-HTAPYJJXSA-N 441.536 0.735 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCCC2(CCN(C(=O)C(Cl)Cl)CC2)C1 1810493235 HINDJDCLAIPKEB-UHFFFAOYSA-N 428.280 0.461 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1810646917 KAEXNMZRGCVGBB-WIYYLYMNSA-N 447.304 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1812914502 VIYSKHVUILKVBP-IERDGZPVSA-N 440.504 0.875 50 20 ICGD Cn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354993 KQYDZLNNJAHWAT-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD CC[C@H](NC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817996014 DDDAXLHCIZHFFA-GXTWGEPZSA-N 436.517 0.222 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401478 DAXFZLMXQHAXKO-SJORKVTESA-N 440.508 0.808 50 20 ICGD Cc1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819949928 PGZXFDYQDGRLET-KRWDZBQOSA-N 434.265 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)cco1)CC2 1826080496 NTEVTWFQCVGSRT-LLVKDONJSA-N 433.490 0.695 50 20 ICGD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cc1O 1827050236 JVFXPGGOTKOHSW-IBGZPJMESA-N 440.309 0.353 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829746582 PYKDBBLUILBIET-GRDNDAEWSA-N 433.343 0.777 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722335 AJLKWLBWUMPSDQ-UZLBHIALSA-N 437.880 0.426 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(C)n1 1830728222 QPUXUCYYZGLYEE-FXAWDEMLSA-N 425.913 0.622 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1830738896 WMYAKKHMJBHMDV-GPMSIDNRSA-N 447.315 0.430 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1831654954 ZHGMCEAPUWHPJA-BEFAXECRSA-N 426.901 0.107 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)[nH]1 1831840616 DFRFZPAPSSKWRU-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832999719 ZCPZRVWLDCXIRT-UZLBHIALSA-N 441.912 0.079 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833532220 IAFKBOOMJLCZQG-KRWDZBQOSA-N 426.993 0.805 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411433 HFGWCXXFNALNKW-MSOLQXFVSA-N 436.336 0.302 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836040582 VEHBBINJEMWCIG-MRXNPFEDSA-N 432.340 0.927 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836122024 ZSNRINLYKHRSJF-FQEVSTJZSA-N 441.912 0.731 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1837658196 HHWBRQIWESXUCA-BEFAXECRSA-N 444.891 0.278 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1)n1cnnn1 1838648346 RLZRGPQSQWILJQ-BXUZGUMPSA-N 447.309 0.923 50 20 ICGD O=C(Cc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198781 AXWOIVIUPYXUNI-WBVHZDCISA-N 430.274 0.771 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271872 SECWOPJABKUCAS-XSWJXKHESA-N 433.343 0.777 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2nccn(Cc3ccc(F)cc3)c2=O)C1 1842241776 BOQCJULKUBEBND-MRXNPFEDSA-N 448.882 0.847 50 20 ICGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414669 PWBMXGHLMHGLCF-ZDUSSCGKSA-N 436.372 0.789 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846211923 WTTDUJLSGLYFQF-CHWSQXEVSA-N 447.916 0.246 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)n1cnnn1 1846644435 XYRMHIUDBPRIBQ-STQMWFEESA-N 441.920 0.570 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1846977046 LCRCRVBERRZZGC-UHFFFAOYSA-N 443.309 0.052 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 15403232 NPMUTSFJDSZOJT-UHFFFAOYSA-N 447.473 0.669 50 20 ICGD O=C(CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(-n2cccn2)cc1 725860628 RYLCETWUJQYCDO-UHFFFAOYSA-N 446.431 0.431 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 726162541 FELQSILIBUIZJW-KBPBESRZSA-N 428.511 0.129 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(F)c(F)c2)n1 728733118 RVRKYEUDNKTRGA-UHFFFAOYSA-N 426.401 0.393 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)c1 728745225 OIFIXJSTHDQICI-UHFFFAOYSA-N 437.316 0.683 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCS(=O)(=O)NCC1CCC1 731761199 XBJUAIGRBUKSHA-UHFFFAOYSA-N 429.455 0.024 50 20 ICGD O=C(NCCN1CCSCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 732892237 XEOKZEMLFGMQKB-UHFFFAOYSA-N 441.579 0.464 50 20 ICGD O=C(NCc1ccco1)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733121801 OWKPSBHCXWPOEO-UHFFFAOYSA-N 428.492 0.757 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 741648120 WEPKMIOOXHZUHP-UHFFFAOYSA-N 442.295 0.601 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 742032908 BYLOTPPWCQDRLL-UHFFFAOYSA-N 444.469 0.260 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 744384995 QNXAVFJJBURVHM-KDURUIRLSA-N 429.565 0.878 50 20 ICGD COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 744500296 XMBINTQFCWWBEF-MRXNPFEDSA-N 436.424 0.924 50 20 ICGD Cc1sc2ncn(CC(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c(=O)c2c1C 744559317 QRTVOQRMCXBMQB-UHFFFAOYSA-N 439.453 0.951 50 20 ICGD Cc1c(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] 749242043 QFJBIZUOLCLDQU-UHFFFAOYSA-N 448.505 0.920 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1nc(Br)cn2ccnc12 750242874 AKIFOSPGFKVELB-UHFFFAOYSA-N 431.258 0.814 50 20 ICGD CCOc1ccc(-n2c(SCC(=O)NNC(=O)CO)nnc2-c2cccnc2)cc1 753436906 DRLSIYVXLMGOQQ-UHFFFAOYSA-N 428.474 0.960 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1C 756448094 MMGZORSFVNLQJJ-UHFFFAOYSA-N 429.476 0.786 50 20 ICGD CCCCCCn1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2c1=O 758059009 ZHAPOIHNPDKGBJ-ZDUSSCGKSA-N 437.522 0.676 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccc(OC)cc2)CC1 758744312 ORJOXTDEPPVUGT-UHFFFAOYSA-N 428.511 0.466 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccccn1 758835903 ZVQYSZNBYNQEEM-UHFFFAOYSA-N 449.464 0.795 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)c(OC)c1 761274915 WSURFQIGOCYJCN-UHFFFAOYSA-N 430.508 0.809 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 762370562 NALOWDTZQQNZAX-UHFFFAOYSA-N 432.462 0.243 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1 763807622 PBAXONNAGZWMRI-UHFFFAOYSA-N 435.440 0.846 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 764085613 NBROKXQLVNOFQO-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 764198906 JSTAELZEAQVSFF-UHFFFAOYSA-N 447.536 0.882 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCCc2ccccc2)cc1 764223459 CAARSFIJJFSSLG-UHFFFAOYSA-N 448.501 0.977 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)n2)cc1 764242589 IZZBTLRBIPWPDI-UHFFFAOYSA-N 442.439 0.939 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1 764314309 UDPNAQFGANWFPH-UHFFFAOYSA-N 448.501 0.932 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cccc1-n1cnnn1 764370438 RDNRJCCFEKMYGK-UHFFFAOYSA-N 431.359 0.728 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 764523069 KMTNXAMPUXRCMB-UHFFFAOYSA-N 436.472 0.608 50 20 ICGD O=C(Cc1ccccc1I)NNC(=O)N[C@H]1CCS(=O)(=O)C1 771251438 NMIWOWWTYIKXNE-JTQLQIEISA-N 437.259 0.351 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 771913114 KQSWHXHHKKDVMD-FQUUOJAGSA-N 427.523 0.772 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772202101 XXWIMZWBRWYRSV-UHFFFAOYSA-N 448.863 0.551 50 20 ICGD CN(CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 772630323 OFNPAUJVGVPBMY-UHFFFAOYSA-N 427.464 0.921 50 20 ICGD N#Cc1cccc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1 773685513 MKYQDNHPNOGYLZ-UHFFFAOYSA-N 436.472 0.702 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 778709825 LRIIJVLEJSIZBB-UHFFFAOYSA-N 444.419 0.706 50 20 ICGD COc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1F 782964179 ABEDDAPBSLNNNV-UHFFFAOYSA-N 430.392 0.991 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783428069 WKZBQXGUDBRWCP-KRWDZBQOSA-N 431.536 0.969 50 20 ICGD COc1ccc(C(=O)CCC(=O)NNC(=O)C(=O)Nc2ccccn2)c(OC)c1OC 784685272 HWMKUUZDOWGXKG-UHFFFAOYSA-N 430.417 0.856 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786970128 OJYQOJIFLWGMFA-HNNXBMFYSA-N 446.414 0.820 50 20 ICGD O=C(NCC1CC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788491174 BXEDETUBBBABQG-UHFFFAOYSA-N 430.486 0.452 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1Br 792268431 IGRBSJZWHWOBAC-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD CN(C)S(=O)(=O)c1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C2 792891610 GNRCJUUXSOXGSH-UHFFFAOYSA-N 434.493 0.895 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794077406 UVHZIYULKVDILO-UHFFFAOYSA-N 436.446 0.451 50 20 ICGD CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C 798119347 VXVAAIRCSSAFHP-HKWRFOASSA-N 441.532 0.952 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)s1 803431595 ATYDUIWMVIGCKZ-UHFFFAOYSA-N 449.514 0.647 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 806978307 VVMGVPCBKHLHOP-IRXDYDNUSA-N 447.451 0.355 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1-c1ccccc1 806978966 OKMPSRVNZVZCQY-UHFFFAOYSA-N 448.487 0.880 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)n1 810560855 OEBLHNJEGNVLEE-UHFFFAOYSA-N 438.510 0.762 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(C(F)(F)F)c1 815691688 YDKGHYRJBSCKMG-SECBINFHSA-N 426.355 0.654 50 20 ICGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 816805772 ILMNVBBVQVIYGR-UHFFFAOYSA-N 444.473 0.554 50 20 ICGD O=C(c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)N1CC[C@H](B(O)O)C1 864234930 ZMAJRKSRYYNINT-HNNXBMFYSA-N 432.263 0.583 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 915076926 DSHCHDXPVLQXAO-UHFFFAOYSA-N 430.417 0.850 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 916104607 LKYDMEVABOYQHP-UHFFFAOYSA-N 428.426 0.673 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H](C(C)C)N1CCOCC1 916254452 XDNOMQMTKAQEPW-OAHLLOKOSA-N 440.570 0.589 50 20 ICGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)c1cc(Br)c[nH]1 916636404 BDPUPBROZWLAHU-HNNXBMFYSA-N 432.344 0.929 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 916648071 UMWQBFDFARLVCE-UHFFFAOYSA-N 434.522 0.815 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Cl 918203559 ANSLLEJYQKNSCX-UHFFFAOYSA-N 439.881 0.626 50 20 ICGD Cc1nnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1C 1116006693 ZBYWXWICAJKTTK-UHFFFAOYSA-N 435.510 0.442 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)c3n[nH]c4c3CCCC4)ccc2O1 1116357487 XYRQGFSJBJKQAP-MRXNPFEDSA-N 434.474 0.778 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccccc2c1=O 1317807352 FKDNMIKLLFRGOW-UHFFFAOYSA-N 439.476 0.523 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1321037409 MCAZSBAFEKAZRE-KBPBESRZSA-N 430.465 0.994 50 20 ICGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1778054792 BSRSENKKOWSSQN-YJYMSZOUSA-N 448.842 0.549 50 20 ICGD COC(=O)C12CCC(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(CC1)CC2 1778298272 CYKQMVDRMKKNHD-VWNGAAMTSA-N 442.940 0.930 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779053121 BJZMXTOHODRJIB-CXAGYDPISA-N 426.315 0.892 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779348975 ODRSYJSFJSZNEC-DJJJIMSYSA-N 426.901 0.622 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 1779356074 VTYJDHSCPXHBJR-GOSISDBHSA-N 445.442 0.850 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1780119371 QUMLXLJXXNJFQU-VQIMIIECSA-N 440.884 0.704 50 20 ICGD CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210511 XJEUOAUORVZQLB-XFQXTVEOSA-N 428.599 0.828 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1783534080 PJBVIVIRTOQRBG-AHIWAGSCSA-N 426.315 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1783878275 CIXPPWHKBJUOOR-LPMFXHHGSA-N 433.933 0.983 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C[C@@H]21)[C@H](O)CCl 1784084496 VMXAMDATMVZLIE-IHCSERIDSA-N 436.936 0.862 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)c2c1 1784092651 SCEFZGCKQZDMLU-SDNTUTLCSA-N 431.880 0.628 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1785007487 LRGULSFLPJYRNQ-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1785116651 FQJHHSOPVMMXAK-IHPCNDPISA-N 445.564 0.675 50 20 ICGD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979471 MAAAWGDQLXNOCF-YYWHXJBOSA-N 437.305 0.231 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3Cc4ccccc4O3)[C@H]2C1 1788186444 KPKRCEKNXRVWIP-XEYPJELSSA-N 444.532 0.343 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813536 USNVNHDFWZTFSI-OBJOEFQTSA-N 425.518 0.763 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789717996 LNMFTPQZYPXEBK-NXOAAHMSSA-N 435.912 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cc4c3CCC4)C[C@@H]21 1791290886 QXSJPBYGZKNOAB-SZMVWBNQSA-N 431.537 0.470 50 20 ICGD COc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1792727239 AHMGKNWJCCMSSX-MFKICJERSA-N 448.520 0.037 50 20 ICGD CCC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1796382358 RMARHCCXBQEMKJ-YHELAOLJSA-N 439.321 0.413 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Br)cnn1C 1796749084 HEDFKAKUHGHCJG-LYIQGSDWSA-N 449.733 0.640 50 20 ICGD COCc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1 1798439869 MEBMOYOLDBLJLP-QDMKHBRRSA-N 426.477 0.725 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798611929 RFODJYJZQMPWJQ-NTPMPSRCSA-N 428.493 0.449 50 20 ICGD COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1OC 1799500778 JZQZUONKZDMYQC-BJWYYQGGSA-N 439.277 0.344 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1800756774 IKIKVJGCRAHTNI-MCYUEQNJSA-N 444.351 0.851 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801031336 LLMVAXSUZKXSLC-MWGHHZFTSA-N 444.248 0.286 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1802058135 DVZIBGDBSIRAES-JYYAWHABSA-N 445.944 0.433 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805890281 USKZQYJXACNNLI-IEBWSBKVSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2=COCCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367320 KMTTUDBNRXTYTK-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812886822 ACCPNJOHXUXVMR-KMHBYZIFSA-N 449.316 0.649 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1=COCCC1 1813114816 SAXYPNRARWKKEP-RXVVDRJESA-N 435.289 0.775 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813179469 VYMNFHXNBPZOEG-YZVOILCLSA-N 434.880 0.266 50 20 ICGD Nc1ncc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)s1 1815187880 MLLKUZBYVCUSLG-LLVKDONJSA-N 443.319 0.401 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474292 PQZXVBHHFAJAFB-SFHVURJKSA-N 441.297 0.264 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476508 UMIYPXRRRDPHEJ-INZIPBBXSA-N 446.338 0.554 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822369939 JSNWZTOLEIADFP-ZYHUDNBSSA-N 426.861 0.207 50 20 ICGD O=C(c1cc(CO)on1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052604 RJNJTVCCDFPVRZ-FQEVSTJZSA-N 441.293 0.394 50 20 ICGD O=C(c1cnc(O)[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057288 BDNFSHQDUKIMKV-SFHVURJKSA-N 426.282 0.342 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830268542 KXTHOZVNZLOWBC-YLJYHZDGSA-N 446.878 0.954 50 20 ICGD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)CC1 1831368276 ULOHEKJPPQEDBD-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176591 MTYCZOPNZGENDT-WMLDXEAASA-N 429.315 0.664 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837533107 KDXNJQWRHRIFSF-PAPVNEROSA-N 438.308 0.776 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c(O)n1 1838674585 MSDAIJHDMUJXDA-ACJLOTCBSA-N 442.310 0.949 50 20 ICGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838794770 XFFGAHHHGMMJPM-VQIMIIECSA-N 437.859 0.872 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838941361 IMLOZJDXVDBPEI-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839147221 KHKXNVZLOZTYTG-SQGPQFPESA-N 430.977 0.096 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1840150953 ULZSKUQQGYUFPT-XLIONFOSSA-N 425.913 0.643 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840153047 BIFOZVBFVJGDTP-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840176994 LFZWRBRTRWMVRZ-RTBURBONSA-N 434.917 0.324 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385928 ZGCTZLMGFIVQIZ-VQIMIIECSA-N 428.917 0.374 50 20 ICGD Cn1c(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc2ccccc21 1841249956 FWGDWHNKAZMRLX-UHFFFAOYSA-N 431.301 0.918 50 20 ICGD CCOC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012090 BXTBZTFUYKTLGX-UHFFFAOYSA-N 436.273 0.674 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809828 VRSRZMCOHMYTQJ-GFCCVEGCSA-N 444.879 0.642 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845506497 WPIACAKBEJDMHL-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1846966220 VDHCSKFZXUOFAB-HNNXBMFYSA-N 439.557 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)Nc2ccccc2)CC1 1847841260 KJCQWMLSSFIVQV-ROUUACIJSA-N 441.532 0.980 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 16098531 XOPJAFDYGOMZHG-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 727228185 AKNCOZNUFARBCV-HNNXBMFYSA-N 447.521 0.330 50 20 ICGD CN1CCN(C[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2)CC1 727844118 DNCFIZIAUAGPLV-KRWDZBQOSA-N 444.561 0.797 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C1 728211470 UQGRWGIGJMSEJW-ZDUSSCGKSA-N 430.552 0.632 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1 728852612 JAVDHDMCWMTXHV-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)C1CCN(c2ncccn2)CC1 728949003 MCKUUHOXNCNPQN-FQEVSTJZSA-N 449.581 0.231 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c2c(C)noc2n1 735117069 NOGKJSWKWTWXJU-UHFFFAOYSA-N 445.505 0.928 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]c3ccccc3c2=O)CC1 735117534 VZZDRYQRFQMXSQ-UHFFFAOYSA-N 442.501 0.616 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118353 SWACDDWTBLRGMF-KSSFIOAISA-N 447.517 0.689 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 741883322 QKTUZXYGVLUBIY-QGZVFWFLSA-N 447.469 0.150 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NNC(=O)c1cnn[nH]1 742070292 ZBFZDJNQAGMUAI-ZDUSSCGKSA-N 434.254 0.557 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(Cc3ccccn3)nn2)cc1OC 745579007 JLHQDNRAWINDFZ-UHFFFAOYSA-N 440.416 0.357 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)c1 747954882 NEXDMKZRKOBDPR-HNNXBMFYSA-N 445.432 0.163 50 20 ICGD Cc1ccc(S(=O)(=O)C2(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CCCC2)cc1 750818691 FOJKEOWRCCQMEX-AWEZNQCLSA-N 428.532 0.664 50 20 ICGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)COc2ccc(Br)cc2)CC1 752025563 YPWNWWXCMXHWMU-UHFFFAOYSA-N 434.312 0.983 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 756836983 CXOKUKQPXHZXJZ-ZIAGYGMSSA-N 425.449 0.857 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 758047305 LFUOAQGMIJQYBT-PBHICJAKSA-N 432.502 0.633 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OCC(F)(F)F)c(F)c2)c(=O)n(C)c1=O 758103824 LXFIQGBHTNCRJB-UHFFFAOYSA-N 449.386 0.802 50 20 ICGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 759679482 RCMSNLGJWMSZGV-UHFFFAOYSA-N 434.474 0.108 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)cnn1CCO[C@H]1CCCCO1 759817059 XILPHAPSYMQXDI-SFHVURJKSA-N 430.465 0.321 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1 760976316 UFELUFMVTSUOCZ-WMLDXEAASA-N 431.493 0.933 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763422436 CSOCMFRVEFELAK-CYBMUJFWSA-N 434.474 0.400 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 763530669 LGYBSYHYRXJGSY-MWDDYTRKSA-N 430.486 0.622 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763921655 NGMOPCKCDXUSQL-UHFFFAOYSA-N 436.432 0.202 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764115579 SRTJCZCFWMXQEG-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764167746 MCHNAAFIMBJSQN-QGZVFWFLSA-N 426.429 0.291 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(O)c(Cl)c1 764349670 SIVUMFTURDCAOC-UHFFFAOYSA-N 433.852 0.985 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 764405383 SKQJSAILTJKFLN-UHFFFAOYSA-N 435.483 0.600 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 765119298 NSQXBNXGHIODAW-UHFFFAOYSA-N 448.936 0.734 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 765750065 XPWLYAQXJUZXTN-UHFFFAOYSA-N 429.546 0.752 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)cc1C 767496807 WIWQGIOCZZOQQG-LBPRGKRZSA-N 446.547 0.905 50 20 ICGD CCOc1ccnc(N2CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 767913113 UQGRYLKREFATFU-UHFFFAOYSA-N 443.464 0.757 50 20 ICGD CC1CCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 768072931 RNPKYFWKKOQXPL-UHFFFAOYSA-N 435.956 0.864 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)nc21 770357061 WSLYASUTNOIGRJ-JTQLQIEISA-N 426.503 0.337 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 771905167 VVEXLQTZARPHRU-QMMMGPOBSA-N 426.223 0.534 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNc2nccc(OC)n2)ccc1C 773723846 HGDOWVCDTASSLG-UHFFFAOYSA-N 436.494 0.906 50 20 ICGD COc1cccc([C@H]2[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC(=O)N2C2CC2)c1 776316398 JGOZBXVWRKEDFN-UZLBHIALSA-N 440.456 0.918 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1 778710269 ROMIREVGKNABKK-CYBMUJFWSA-N 442.453 0.871 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc(C#N)n1C 779582822 YRAOCRIATJPZQT-DMVFFGLYSA-N 431.518 0.765 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 784004435 GDCLRNWPGHWBDX-UHFFFAOYSA-N 430.471 0.783 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2CCc3ccccc3C2=O)cc1 788722041 YAHZFWIWAWYUAC-UHFFFAOYSA-N 444.513 0.461 50 20 ICGD O=C(COC(=O)c1ccc(O[C@@H]2CCOC2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 789198813 HAGQVOLADVBJTP-VQIMIIECSA-N 442.424 0.999 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1 792018413 ZBCBZWKDHPMHIE-CYBMUJFWSA-N 436.456 0.647 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 792393808 HEVYFFASMVFGGC-UHFFFAOYSA-N 443.489 0.986 50 20 ICGD CC(=NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 793132390 UYUNFRIGZTVKOX-OAHLLOKOSA-N 448.505 0.524 50 20 ICGD O=C(NNC(=O)c1cc(Br)cnc1OCC1CC1)N[C@H]1CCS(=O)(=O)C1 795526733 CZYGFTFQFSHHSF-NSHDSACASA-N 447.311 0.764 50 20 ICGD COC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 804124827 BNUYGNYCUVVSBL-UHFFFAOYSA-N 442.494 0.038 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 807378409 BLSWONOLZPMTBN-UHFFFAOYSA-N 447.355 0.991 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nc3ccccc3n2C)c1 915928326 MVYAUJOMRRKTLX-UHFFFAOYSA-N 430.490 0.968 50 20 ICGD CCc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 917738088 ZYFWHFKMGGFIFS-UHFFFAOYSA-N 426.472 0.974 50 20 ICGD CCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 921042998 ZVNQYZOEHXIRSA-UHFFFAOYSA-N 440.522 0.989 50 20 ICGD Cn1nncc1NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1324291472 PXPKPMGWDMZHIG-UHFFFAOYSA-N 435.293 0.900 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(Br)c(C=O)n2C)n1 1339174196 QWSYFLBIVAIAAP-UHFFFAOYSA-N 443.279 0.912 50 20 ICGD Cc1ccc(O)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032151 CIZGGXNXZDXWMO-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326330 NLWAGVZFEWHCOZ-JSGCOSHPSA-N 434.222 0.312 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332113 UGIQEFUKTFOMJA-XHDPSFHLSA-N 431.218 0.309 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334481 OBIBQQZYPBKLRV-NVXWUHKLSA-N 440.273 0.792 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782316420 AROKYTRTBRPRRO-ZNZDAUKMSA-N 446.331 0.662 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783874945 ILSNIUBYKJRLHH-XVWPZIMESA-N 439.900 0.204 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934883 JKDOCISZAMRFNU-FQEVSTJZSA-N 435.550 0.620 50 20 ICGD O=C(CCCc1cccnc1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784671320 IBWUADFBSSHWEL-HSZRJFAPSA-N 437.305 0.228 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785491283 WZHGLVJNTGZBPE-TUUVXOQKSA-N 426.311 0.944 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)NC(=O)NCc1ccccc1 1786370035 FOXLXHFGRCBNES-FHWLQOOXSA-N 442.520 0.226 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787409618 DBOGSOVJBQENMG-QNSTZXKLSA-N 433.347 0.587 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787499915 FNJHMDCQZUCCBF-LHEWDLALSA-N 430.958 0.786 50 20 ICGD Cc1c[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610235 LVATXDCVHJXMRU-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD CC(C)n1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788929873 ZIEKCDRGZJWREZ-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccc(O)cc1 1789889456 WGTMQXNPEOUAFS-LQJIQPLVSA-N 446.548 0.848 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)[C@H]1SC(=N)NC1=O 1791295551 MLOHFNTWFPHOGJ-ORMBPQIASA-N 437.349 0.572 50 20 ICGD C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1)n1cnnn1 1791917157 QJUBDZXULWWFHK-CQSZACIVSA-N 434.265 0.362 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793097127 QHMNWUZBHFZUQT-OPMZPASUSA-N 439.321 0.147 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1800973488 ASRNOKPIYXABDE-OQMKEHIESA-N 429.926 0.321 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(Cl)c1 1801731201 IAULJJWWDOVLQN-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805813248 RXOKLZUDVKPOOY-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807009173 QDGUFIBQERPFGM-KSSFIOAISA-N 435.554 0.087 50 20 ICGD N#CC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1 1807368370 SARONYYPRBDFJZ-UYAOXDASSA-N 432.289 0.775 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1808296476 QZGHXRLVTAETKO-PWDMQXDWSA-N 444.363 0.917 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979782 AZCIJDKDSBXPCR-AWEZNQCLSA-N 437.143 0.995 50 20 ICGD CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810294218 IWWKPEVSGNWGFC-QAPCUYQASA-N 435.488 0.949 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1810534269 WKWMGKXFBUNSNX-QLVMHMETSA-N 444.536 0.151 50 20 ICGD Cc1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815339386 CDLSPGNJGNWUBF-CQSZACIVSA-N 437.290 0.461 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)[nH]1 1815350616 ZZKATGDCRRZOJG-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(N)=O)[nH]n1 1818113598 RCWMKQKPIUKSFI-ZWGXDWAISA-N 442.480 0.801 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1819595642 SXKCNTZRHPTOKF-QAPCUYQASA-N 439.589 0.904 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCOC1)CC2 1819801657 OWCPIFWTJOWVDC-WDEREUQCSA-N 430.490 0.404 50 20 ICGD CC[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617221 IKZCZPHBJDHKSC-GUDRVLHUSA-N 431.356 0.951 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)c2ccco2)CC1 1823770655 GDGZNAYKEQIHOV-PZJWPPBQSA-N 440.305 0.926 50 20 ICGD CC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084071 ZBJCSICFBINKLG-GFCCVEGCSA-N 438.554 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnn(C)c1)CC2 1826085524 YNFUQULSYCEUGR-CQSZACIVSA-N 447.565 0.794 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1cccnn1)CC2 1826092290 XTGHRBQEFWULRY-GFCCVEGCSA-N 447.521 0.297 50 20 ICGD Cn1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)cn1 1828925954 UZSCCOBQEVMNPC-IBGZPJMESA-N 439.520 0.966 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1830537591 KYIAXWUWCOIAPR-GUYCJALGSA-N 429.315 0.521 50 20 ICGD O=C(c1cc2cccnc2s1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727697 BSUKXDUGIGNRPF-LIRRHRJNSA-N 439.921 0.966 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831888970 LHOZWAOADDURHU-WOJBJXKFSA-N 448.394 0.714 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832812517 AKFPDSHWTBEVKA-CRAIPNDOSA-N 443.342 0.972 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306511 UXLOWCAZTLXEIS-MRXNPFEDSA-N 431.961 0.890 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1)[C@H](O)CCl 1833313013 QGYKDHXUMJUYSV-QGZVFWFLSA-N 428.961 0.170 50 20 ICGD CO/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800959 CWKDMIAQNDKSRD-FOCLMDBBSA-N 429.326 0.102 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2 1835598720 SYFGSRFYQVHMQE-AFIMGQEJSA-N 434.375 0.990 50 20 ICGD Cc1ccccc1NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835862710 SMMXCRMFLRJWKZ-XLIONFOSSA-N 425.913 0.463 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836413753 ONMOPSITUHFENL-IAQYHMDHSA-N 435.338 0.760 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1838045426 ZKTYEEYEPBCAOK-PBHICJAKSA-N 447.305 0.743 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1838788846 BHFFNEULMDZCRR-WGMWDUQUSA-N 436.553 0.250 50 20 ICGD CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)co1 1839201210 ZMLLCKDJHIFOLS-BBRMVZONSA-N 434.262 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840185692 UZXYJBLPHDDESK-QFIPXVFZSA-N 443.504 0.001 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc3nncn3c1)C2 1843416278 RIBBXRLAXKOWJX-ZVHZXABRSA-N 434.460 0.680 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(F)c2[N+](=O)[O-])C1 1845405160 FBXLGGDTRDFABD-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846182616 XRMKMPNNOZSBSL-UUOWRZLLSA-N 445.284 0.093 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846364102 YHBOCFMFKIENOB-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(OC(F)F)cn1)C2 1846384491 ZEFFUKSWNQEBAO-UHFFFAOYSA-N 425.436 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(N3CCOCC3)cc1)C2 1846384916 YNYJSODSYWOCBI-UHFFFAOYSA-N 443.548 0.713 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 11106727 DCDPPRRCECLVMG-UHFFFAOYSA-N 431.879 0.928 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1 17259922 MZGBRAINRKQOCT-UHFFFAOYSA-N 433.486 0.705 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727098878 IZJRDAFWJINTNH-UHFFFAOYSA-N 449.265 0.427 50 20 ICGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 729507429 UKZWRUQMJDABOZ-CQSZACIVSA-N 429.481 0.109 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 730743410 OYWJMEOKVARPPB-INIZCTEOSA-N 436.511 0.856 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731462916 VWNSSJAMUIAVDQ-UHFFFAOYSA-N 437.420 0.643 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C 731477183 SXFCYTGALUITIW-BRYHAGSVSA-N 436.534 0.420 50 20 ICGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 731597241 GTQNBNSENXHUAE-KRWDZBQOSA-N 431.357 0.782 50 20 ICGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)c1ccc(-n2cnnn2)cc1 731892251 YNOGTEUXHLOPLS-UHFFFAOYSA-N 434.460 0.581 50 20 ICGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(Br)s2)C1 733338583 DVCNMJVDGYTYFO-QMMMGPOBSA-N 425.330 0.879 50 20 ICGD CN(CC(=O)NNC(=O)c1cnn(C)c1)S(=O)(=O)c1ccc(Br)cc1 735446357 RJNKHBDREZUSCR-UHFFFAOYSA-N 430.284 0.264 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C(=O)C1 741189132 SIPYKYFSORKNEX-UHFFFAOYSA-N 442.476 0.713 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCC1 743252080 ZEUAXVYRQNTHBV-UHFFFAOYSA-N 446.551 0.004 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(C(=O)O)ccc1Br 751281050 ABWJSOHAUKBVEU-UHFFFAOYSA-N 446.235 0.480 50 20 ICGD Cc1c(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C 758042919 FYIXMWWFYAGKDB-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(Cl)c1 758043751 KAAHUZIBTAQYHS-ZCFIWIBFSA-N 445.666 0.643 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 763014370 UYGOMCVDTMQBMF-CQSZACIVSA-N 448.501 0.296 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(CN2CCOC2=O)c1 763574356 ZEHVRLHUFPBSQD-QGZVFWFLSA-N 440.412 0.565 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763804352 LMWRQNWTRAOONM-UHFFFAOYSA-N 443.416 0.818 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 763899891 DMINHKPBSXHXRH-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 764007042 YEUOHNJZBNQEPZ-UHFFFAOYSA-N 431.401 0.883 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764037701 UJGWCIMNHFPDRV-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CCc2ccco2)c1 764177891 ULRGEKYLUDUHPR-UHFFFAOYSA-N 426.426 0.388 50 20 ICGD COc1cc(C)c(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764813516 ZSUYIRXIPLTZQO-UHFFFAOYSA-N 428.449 0.300 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)CCC(=O)N2 765738515 KQFKQFBWUDEBPR-UHFFFAOYSA-N 435.484 0.790 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2c1=O 769226184 QWQXWUIMMHHWAO-UHFFFAOYSA-N 442.436 0.946 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 771940891 RJZULCJOBFTEIV-LRTDBIEQSA-N 430.461 0.505 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 775238143 HUGWNLMVHUINCJ-LBPRGKRZSA-N 435.462 0.615 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(C)nn(C)c1-n1cccn1 778292000 NPBGUTVRXXXZNS-UHFFFAOYSA-N 430.494 0.591 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O)n1 781419735 QCISLLPGKZFEJT-ZDUSSCGKSA-N 437.501 0.551 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782895287 ZOPFTECPEXJDAC-UHFFFAOYSA-N 439.428 0.697 50 20 ICGD CSc1nnc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 783058268 FBUHSNGCSTVIEX-UHFFFAOYSA-N 444.564 0.720 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccccn3)c2)CC1 784796939 UXPDDNJPPBCUEC-UHFFFAOYSA-N 432.506 0.490 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)c2ccccc2c1=O 792016029 JRPWFOFIHJJLBG-JOCHJYFZSA-N 439.472 0.489 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)oc1C 794598706 MQNAFUZESFQDDC-UHFFFAOYSA-N 425.419 0.611 50 20 ICGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 800830830 KDPAVEIBZCFLOV-AWEZNQCLSA-N 441.531 0.764 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)NC(=O)NC1=O 802067499 UKISKHBOKJHBDW-LJQANCHMSA-N 445.457 0.611 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)CSc1ccccc1O)C(F)(F)F 805769200 LZZUPNKQPHQQPB-NSHDSACASA-N 444.457 0.637 50 20 ICGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 814360981 QSEFFMBVCBMHCC-ZBFHGGJFSA-N 425.507 0.674 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 814587690 VMKNJUZBHNRDAQ-UHFFFAOYSA-N 447.477 0.031 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)n[nH]1 815886826 KBESCFWRUJHWQW-UHFFFAOYSA-N 434.412 0.842 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 913278023 XSLANZQQPKICRA-UHFFFAOYSA-N 429.389 0.444 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc2c1=O 916249625 CFKLHJPVYIHSEP-HUUCEWRRSA-N 430.509 0.860 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN(C)S(=O)(=O)CC)c2ccccc2c1=O 916580132 FOBQEQJLOJRLSC-UHFFFAOYSA-N 438.510 0.032 50 20 ICGD NC(=O)C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 917359904 ONADYCITXXSHMH-UHFFFAOYSA-N 448.604 0.504 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccs2)C1=O 919245291 NRLVNBPDQUHPAG-IBGZPJMESA-N 448.432 0.659 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 1318504171 OYBCLFFHCAFEGA-NUJGCVRESA-N 431.537 0.649 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCN(c2ncccn2)CC1 1319116415 BPGKUKGHGAQKES-UHFFFAOYSA-N 428.474 0.544 50 20 ICGD Cn1cc(F)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778371650 FZMSBYMJGSIRLV-DENIHFKCSA-N 443.284 0.285 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1779545784 JMOPCZOWUDIFCW-FOIQADDNSA-N 437.569 0.277 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1nc(O)n2c1CCCC2 1779572738 ALCYDIJLVHCPFF-STXHMFSFSA-N 440.928 0.652 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1780095201 JLOGWBRHTHXOBQ-RXVVDRJESA-N 449.460 0.981 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780831604 POBDOYXJEOUGRR-NRFANRHFSA-N 445.426 0.721 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1782647127 JPCJNQXONUKKQB-HZPDHXFCSA-N 425.382 0.537 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783349685 RFHUGFLPWKNIRF-MAUKXSAKSA-N 431.375 0.237 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncncc3c1)CCO2 1783936128 RJHIVYWXMMOYOC-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804691 FQGINSRCUIPOBD-RFGFWPKPSA-N 442.310 0.065 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cc2n(n1)CCCO2 1788353069 ZYAAQBPCHUWVKZ-UHXUCMFUSA-N 445.289 0.949 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C[C@@H]21 1788607808 JXNWILBYORFOKS-PDWMJMLSSA-N 427.505 0.635 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789379255 XGPCXFXXYJEKHH-NHULGOKLSA-N 430.299 0.934 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791299409 MYMLKFALTJSQGJ-VOAKCMCISA-N 437.356 0.815 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1F 1791742978 CXPUFFIEFNGXBQ-DNUAJFIVSA-N 428.888 0.956 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791773571 BAMWWOBMXCHGQG-ZPFDUUQYSA-N 429.308 0.091 50 20 ICGD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792942580 GNODUNGLWGLJPG-RBNVPPIJSA-N 446.287 0.980 50 20 ICGD CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)ccn1 1796189077 TUBSBAPKFAJPCO-REPLKXPHSA-N 436.277 0.285 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1O 1796189586 GAGQIVIBMPHYIV-REPLKXPHSA-N 438.289 0.575 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)n1 1796594587 IQRCHBRVKLIMQZ-YWVIFJGQSA-N 429.315 0.518 50 20 ICGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)nn1 1798755352 XSEJLGUGNRIMTI-RDBQEKCUSA-N 431.262 0.769 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@@H](O)Cc1ccccc1 1800636391 XAYADGMLMQOQIK-XFIYOXNOSA-N 429.286 0.870 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)ncn1 1803142610 YOAAGEWLCACOQR-DAXOMENPSA-N 433.852 0.489 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnnc1 1805486540 NHFRLLVAHJYSFF-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C(=O)O 1807374891 OZWKQAMDDRMCFQ-LICUMROXSA-N 437.261 0.112 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812310823 IMPWCZGJTYKEGU-PBEJRMEISA-N 438.337 0.421 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)cn1 1816637197 RNVRATNSKOOZPC-SFHVURJKSA-N 435.249 0.810 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816803610 IWEUCLDCZUARFT-MRXNPFEDSA-N 428.254 0.349 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](Cl)COC)[nH]n1 1819243612 HSLBXLAYXHSNGJ-ITDIGPHOSA-N 431.877 0.720 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820697789 XGFKRRPRRYNWEH-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1)C(=O)C(=O)O 1820937208 OGULRHULQAVLCQ-CABZTGNLSA-N 448.249 0.635 50 20 ICGD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)[C@H](O)CCl)CC4)(C1)C2 1825549017 XMMSTDCUCCYGMA-QWCZWBMESA-N 427.910 0.998 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826323029 XWFFFACZBWEWCM-IUCAKERBSA-N 441.307 0.764 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830539844 JMRBCKMZQNXUBC-BZNIZROVSA-N 431.287 0.216 50 20 ICGD CN1CCC(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1833130689 ZCNILFWIYPIRBP-LJQANCHMSA-N 429.005 0.890 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834823138 KLDBXCJWUYNJCD-TYJAPOHBSA-N 445.358 0.700 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835621911 YLVWDQUKWNJGJH-APPDUMDISA-N 445.314 0.666 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703400 PLNMPNDNMVGZHT-LLVKDONJSA-N 428.331 0.217 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CO[Si](C)(C)C)CC2)CC1)n1cnnn1 1835837379 FSZDKRRTHGFFQX-HNNXBMFYSA-N 437.621 0.657 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836422075 MGVMFCIFXBGFEU-AWEZNQCLSA-N 441.374 0.881 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837305436 AGUIEGKWVNZTGR-NZQKXSOJSA-N 442.321 0.205 50 20 ICGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837458790 BYPAFJVTWRSVEL-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD CC[C@H](NC)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837916957 RRBJZEJENJPTLD-SFHVURJKSA-N 425.574 0.356 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1839145940 RNIJGZOABGCFSU-GUXCAODWSA-N 425.913 0.883 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839200983 UGCQYHMAPGWZCY-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840033168 WNKXGRVHNGDUKD-DIFFPNOSSA-N 444.282 0.346 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)CC1 1840156818 VARSMDGEXYNRFY-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498731 XTZWXIYCVKIQQY-SCLBCKFNSA-N 442.310 0.570 50 20 ICGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840819309 CBRDCNFZIQUYOC-HKUYNNGSSA-N 425.844 0.928 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1 1846386520 VLEPBMRZRODJRV-UHFFFAOYSA-N 446.504 0.428 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)ccc1[N+](=O)[O-] 1846873927 NWNHTLSGYLEWOR-UHFFFAOYSA-N 433.465 0.793 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847118313 WCMTTZSZYOPSGX-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 726379029 DCRMPJOCQPIUNG-NSHDSACASA-N 433.428 0.389 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 727350248 VQDVKVBWYNQZFX-UHFFFAOYSA-N 441.535 0.701 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 728518437 INKZKBUEPVWOHR-AWEZNQCLSA-N 429.399 0.663 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 728611969 HKJPYNHUCYRMMO-UHFFFAOYSA-N 443.428 0.976 50 20 ICGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729614069 ISBFUOVDPUSEQK-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1C 736308940 OMNLBHLJLVCEBC-UHFFFAOYSA-N 435.550 0.147 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 740852372 XVPBGWUVTURGQC-ZDUSSCGKSA-N 444.579 0.909 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCCN(CC(F)(F)F)C1=O 746340430 YMFCJCONNWKINV-LLVKDONJSA-N 426.355 0.833 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 747324603 DJUFLOBYETWIIZ-UHFFFAOYSA-N 426.545 0.884 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)c1 747849511 ZKYNBUJIKRXXMR-UHFFFAOYSA-N 426.539 0.128 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)c1ccc(Br)s1 751202747 IBBFLVGZXTUBKX-UHFFFAOYSA-N 443.279 0.753 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 756206155 UVWIWPQSXXKGLA-ZDUSSCGKSA-N 433.490 0.707 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1Cl 758047732 NIHQFNBVJFJOCF-ZCFIWIBFSA-N 445.666 0.643 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 762326043 GRGGSNLXAJVJKJ-QWHCGFSZSA-N 427.502 0.700 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 762867514 WLWFRGNXFDPEHX-QGZVFWFLSA-N 446.533 1.000 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)cc1 763414140 XAUYDMUERCBANC-UHFFFAOYSA-N 431.517 0.402 50 20 ICGD CCCn1nccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530260 GYBKPUDNMAZNDZ-UHFFFAOYSA-N 427.509 0.591 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cccc21 763558561 LLUBDSZWGORKLN-UHFFFAOYSA-N 446.441 0.137 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 763619334 SWNGPHCUHPZBDI-UHFFFAOYSA-N 446.485 0.700 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763630549 NMXZBFNPSSXGHK-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 763804357 LPNDDNDPONYFLK-UHFFFAOYSA-N 441.400 0.669 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)n1 763880210 CRIVSNPYRCTGTH-IRXDYDNUSA-N 442.520 0.895 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c1C 764128104 ZHQDKXJGSOGWQR-UHFFFAOYSA-N 448.501 0.630 50 20 ICGD COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764213406 WUCYIVJRFAQGNT-UHFFFAOYSA-N 443.460 0.604 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1F 764278562 ZXFHIJPZLYDFNZ-UHFFFAOYSA-N 443.384 0.239 50 20 ICGD O=C(NNC(=O)c1cc2ccccc2o1)C(=O)Nc1cnn(CCN2CCOCC2)c1 764332864 ZWTLZDYWYNQKJJ-UHFFFAOYSA-N 426.433 0.361 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764363096 KPYHOGBHXSZPGJ-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Br)ccc1N1CCCC1 764424735 KTIKVPBAGNPUJE-AWEZNQCLSA-N 441.282 0.551 50 20 ICGD Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435434 VDDIUDKLCFWUID-LBTNJELSSA-N 446.504 0.614 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 765752292 QKFIBPKLUZRHGW-AWEZNQCLSA-N 439.542 0.165 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@@H](C)O)cc1 770418016 RAKPNNQZANJDKW-ACJLOTCBSA-N 449.485 0.255 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 772220996 JFZDJONUXOLWCS-VXGBXAGGSA-N 436.556 0.247 50 20 ICGD C[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O 772898884 UTVYJIYCTIOOCT-NSHDSACASA-N 435.868 0.357 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 773555092 VVMSHUNBRGHTGS-LLVKDONJSA-N 441.309 0.851 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 777411760 DWIWXYZVCUXCJK-UHFFFAOYSA-N 436.520 0.888 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)CBr)CC2)NC1=O 777833687 YTKRVODIZKBOBD-JTQLQIEISA-N 432.296 0.846 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Br)c(F)cc1Cl 783999765 JQWDLIOIDXSLER-UHFFFAOYSA-N 435.637 0.950 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 792641060 HZXSRXDVNBRCML-BXUZGUMPSA-N 446.501 0.519 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)n(C)n1 793062676 SXXSAXBPLOADPR-HNNXBMFYSA-N 443.464 0.091 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 796568932 SLLZGJOLHBKZHJ-UHFFFAOYSA-N 439.534 0.127 50 20 ICGD Cn1nnc2c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc21 801103757 OYTKNZBGQWLVPQ-UHFFFAOYSA-N 429.462 0.223 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)c1cnn(C)c1 807082949 YUXXJESQZAVUSW-INIZCTEOSA-N 445.480 0.301 50 20 ICGD O=C(NNC(=O)c1cnn2c1OCCC2)c1cccc(S(=O)(=O)N2CCCCC2)c1 814195251 WXWSCUFXVQIESJ-UHFFFAOYSA-N 433.490 0.915 50 20 ICGD O=C(NCc1cccc(N2CCOCC2)c1)NNC(=O)c1csc(N2CCOCC2)n1 814358030 IFXYXUNVCOPEAX-UHFFFAOYSA-N 446.533 0.961 50 20 ICGD Cc1nc(Cn2nnc(NC(=O)C(=O)NN=c3sc4ccccc4n3C)c2C)no1 815588062 BQSXJRZYMIXTNP-UHFFFAOYSA-N 427.450 0.450 50 20 ICGD Cn1c(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc2ccccc21 816578850 RMQDVKTZHIYSHH-UHFFFAOYSA-N 428.474 0.451 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 917921981 HKZPNOZPWVKDRL-MRVPVSSYSA-N 432.252 0.918 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919886103 UHXZONZXAPVMHS-JQWIXIFHSA-N 444.897 0.219 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778162367 UWFSSLIGAIORNB-SUMWQHHRSA-N 432.315 0.832 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)no1 1779124276 VGIJWOWBWODPKW-LJQANCHMSA-N 438.557 0.394 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197773 JOLIOZVEFZIIEJ-ACJLOTCBSA-N 439.310 0.881 50 20 ICGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CC3CC3)CCO2)C1)NC(=O)NCc1ccccc1 1780970541 XBZOKKQHNYSFKI-HSZRJFAPSA-N 443.548 0.963 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331376 JEBGRCIDQHYOKG-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](F)Br)C4)C3)CC2)CC1 1781334016 LISMGVHLRDJVDV-YOEHRIQHSA-N 447.349 0.287 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782205667 XQJKVUYXCGEBII-JEBQAFNWSA-N 449.342 0.901 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccccc3n1C)CCO2 1783934152 AFCFTLRIVSKSML-QHCPKHFHSA-N 441.532 0.995 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1783966711 KPBIFYQCQZCMLD-VOAKCMCISA-N 443.346 0.330 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086594 YRODUFBTRFAWHB-OMZCGLGVSA-N 435.952 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785469792 LDVJZGXYKFCLIR-VLIAUNLRSA-N 433.534 0.272 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4occc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984370 JDUZONZIKUTZNZ-QSFXBCCZSA-N 449.272 0.415 50 20 ICGD CCn1nc(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787290805 BLZFHFSOPOURTE-BQFCYCMXSA-N 434.541 0.178 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(F)F)n3)[C@H]2C1 1788941199 HYWRZEHITSMQLN-YDHLFZDLSA-N 442.467 0.245 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)cc1 1789575403 FWXKAQXOOADCLN-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3ccnnc3O)cc2)CCC1)c1ccc(B(O)O)cc1 1789969612 YLJDIIMBAOBINE-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1790581500 HAAZUTDVWOHJIA-IHRRRGAJSA-N 427.299 0.008 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)Cl)[C@H]2C1 1791427278 UDTQHRVASHIXJE-XDTLVQLUSA-N 431.827 0.110 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792453172 UBMIJJFKJMHJCA-BJWYYQGGSA-N 443.696 0.989 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1792676082 UDJKITFBIJMWDX-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978515 FEHACJZJODIYNF-CNUSHZMNSA-N 441.887 0.133 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793392337 QQNZKRGWEMFHFO-UMHALCLHSA-N 433.509 0.117 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795616022 USCOEHSMOUTUGC-ABNPOPBRSA-N 425.327 0.845 50 20 ICGD Cc1ncc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795736801 HFCIADYRTZRJAF-DFBIAFCQSA-N 441.318 0.048 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ncccc12 1796875482 BKLBGAJXMUEDPC-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)[C@@H](F)Br 1799344434 MJZYAXFVPLYDMI-OXUXUCFPSA-N 440.273 0.711 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800179311 WBWZODBENLPEBO-GWLLULGVSA-N 431.320 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1800976697 CORJUXQUKJZESA-QVHKTLOISA-N 426.901 0.382 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(Cl)ccc1F)C2 1801009578 OKCQQLQWFMOZRL-DPIQGUFMSA-N 441.891 0.450 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802246801 OGVWFTCTTSMZAH-WPVAHCMFSA-N 440.305 0.374 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805650528 CQGMIDVHGXBUIX-XLIONFOSSA-N 433.277 0.128 50 20 ICGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]2c2cccnc2)O1 1808648978 GFXUGWXMUDJWJW-VOAKCMCISA-N 429.246 0.886 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303274 SUWXBORJCIASNY-KXBFYZLASA-N 448.487 0.745 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1812778252 ITYWRDUHENQPBG-KCQAQPDRSA-N 426.315 0.929 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768551 DNPDDIVTIIJVBL-IUCAKERBSA-N 440.846 0.034 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815355475 SZPFDDHYJCASII-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1)CC2)c1cccc(B(O)O)c1 1815361614 LFDHYZOOVIFMQJ-ZFWWWQNUSA-N 431.348 0.944 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnc1 1817469721 DDFDXEUBYDADEC-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1CCC(O)CC1 1822545596 ADVDMPOQVQCQIZ-ITXXBFQVSA-N 440.309 0.947 50 20 ICGD CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)COC1 1828921738 ABWXENVRYAAYEF-SFHVURJKSA-N 429.521 0.955 50 20 ICGD Cn1ncc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830731853 QVRLJXCQCIXDEQ-YLJYHZDGSA-N 436.896 0.243 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732823 BIQBQMZLNNAUIE-WIYYLYMNSA-N 448.907 0.542 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487730 MOMLWRRYLXCFMO-RDJZCZTQSA-N 448.402 0.676 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1831645753 DHJCVLGQVGJRGY-HNAYVOBHSA-N 431.917 0.693 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832119787 LLKCJALIFHRANC-SFHVURJKSA-N 433.557 0.661 50 20 ICGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835936931 KHIQUWGCGNIJQQ-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD COCCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836653428 XJKMMGVHYLLAIY-UHFFFAOYSA-N 426.558 0.785 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711989 YNCVCULNUAQETP-HXUWFJFHSA-N 440.617 0.576 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1838091451 OMWPGQWPEUEFAX-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198093 SXQTVBZZJAAYAX-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD O=C(Cc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198779 AXWOIVIUPYXUNI-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839201879 MNVGUKKGLJMPRJ-CJNGLKHVSA-N 429.246 0.647 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839351601 MPBGOYCHBAJSAE-SFHVURJKSA-N 430.288 0.659 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839624042 OPXCPIQIIRXQNA-GUYCJALGSA-N 429.811 0.473 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840031636 XUTIFGMBJXXVNP-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840064344 GQZDVSIRGPSXBV-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1840153877 DLHBSJWYXLECFB-FOIQADDNSA-N 442.896 0.725 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845220195 GTBBPBGPLGHVPU-CHWSQXEVSA-N 430.278 0.351 50 20 ICGD Cn1c(CC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)nc2ccccc21 26539480 WBPBYOULUSTABK-UHFFFAOYSA-N 429.502 0.669 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cccnc1 728892715 DQJPDLDFTWIOMF-UHFFFAOYSA-N 434.474 0.301 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1 743470089 NGOZIGZYHNSWGI-UHFFFAOYSA-N 449.493 0.393 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(N2CCOCC2)nc1 744621186 UPCJNTKCPUDPRH-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD CS[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 745896191 WYXFNEACQAUYSG-GJZGRUSLSA-N 442.563 0.936 50 20 ICGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)o1 746230073 WONWCASRLMAROJ-UHFFFAOYSA-N 434.352 0.137 50 20 ICGD O=C(NNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)N[C@@H]1CCS(=O)(=O)C1 749582674 LYRQKLSUTVXASK-HWPZZCPQSA-N 444.922 0.786 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1c(C)nc2ccccn12 749904724 MFMBESQVGMUQQK-UHFFFAOYSA-N 445.447 0.282 50 20 ICGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751282628 PHCQNJPKUKXQDU-UHFFFAOYSA-N 427.460 0.123 50 20 ICGD Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NNC(=O)CO)c(C)c1 753439924 NSGMRXUEKFBUDB-UHFFFAOYSA-N 433.530 0.985 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COCc3ccccc3)cn2)C[C@@H](C)O1 756837504 HMVUXDUDMKKKSH-IYBDPMFKSA-N 444.492 0.888 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1=O 757762440 FPRJKWZAOVYHFK-UHFFFAOYSA-N 443.464 0.271 50 20 ICGD C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758839889 FXOUZTLUTOQJHJ-MRVPVSSYSA-N 440.279 0.810 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761267820 VCAJNWAYJGUGQS-LBPRGKRZSA-N 441.448 0.713 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)c(OC)c1 761272497 KHPLAEDLJREUDA-UHFFFAOYSA-N 429.480 0.260 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cc(-c2cccs2)[nH]n1 763158370 OJXHFOXMEHEKEU-MRXNPFEDSA-N 446.533 0.613 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCNC2=O)c1 763551614 QQFBVYMYICUVAL-UHFFFAOYSA-N 425.401 0.735 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 763627479 AMSACICBMOGKBG-UHFFFAOYSA-N 436.428 0.995 50 20 ICGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763820963 QIUIMHFDUADIAL-UHFFFAOYSA-N 438.444 0.484 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 764048428 PXVZVBXUJBBYPO-UHFFFAOYSA-N 441.487 0.559 50 20 ICGD Cc1nccn1-c1ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1 764204638 YYLJOIJJPKKEMR-UHFFFAOYSA-N 445.480 0.967 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 764299559 FHXJGERQNVWHNR-GFCCVEGCSA-N 432.355 0.555 50 20 ICGD O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)NNC(=O)C(=O)NC1CC1 764609079 QGDPHVLDKSLQGD-UHFFFAOYSA-N 441.473 0.500 50 20 ICGD CCCCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764812295 IIXYPMRZNGGSQL-UHFFFAOYSA-N 442.476 0.772 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)N1C(=O)CCC1=O 766664299 PAUBKBOFOAXMEZ-CQSZACIVSA-N 435.912 0.143 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)c1cccn1C 766986205 OTUBJVUIJGSFBG-UHFFFAOYSA-N 444.517 0.869 50 20 ICGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1C 768506957 ZRXOTJBJWGQIST-UHFFFAOYSA-N 428.492 0.609 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 768629123 GIYZGUADIHURGN-UHFFFAOYSA-N 426.476 0.039 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cc1ccnc(O)c1Br 772285983 WMQKTDNSJIVVDW-UHFFFAOYSA-N 432.275 0.947 50 20 ICGD COC(=O)Cc1occc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 774328954 HYFREVFHSNDUKS-UHFFFAOYSA-N 435.458 0.854 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 775676842 MMGPPIYBDJYZIT-UHFFFAOYSA-N 448.545 0.837 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437487 DEFIGQGFNQBHMG-UHFFFAOYSA-N 425.833 0.610 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780470440 QQNVIRNPAXNUGN-DOMZBBRYSA-N 426.426 0.073 50 20 ICGD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1cccc(Cl)c1 781760890 DPFJFFHYGYLLSV-UHFFFAOYSA-N 436.852 0.899 50 20 ICGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1)N1CCOCC1 784001972 HEMMLVUDWBXHFF-AWEZNQCLSA-N 443.460 0.189 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)c1 784969893 BSXNJDCCWPUTIK-UHFFFAOYSA-N 435.510 0.703 50 20 ICGD CN(C)N(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 792847421 AFVJVUYGHMHRRD-LBPRGKRZSA-N 427.527 0.809 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 793216952 IXVFQWBJDRKSAM-INIZCTEOSA-N 443.416 0.114 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cnc1C 793414014 ACUSJYKBQQCKTO-UHFFFAOYSA-N 440.865 0.456 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@H]1CCCOC1 795332765 ACYISQMPDJTSRZ-KRWDZBQOSA-N 444.985 0.835 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2S[C@@H](C)C(N)=O)n1 801487805 TZVYTUKOAYZHFU-NSHDSACASA-N 436.515 0.964 50 20 ICGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 807070560 NZORGRJXBZBYIF-UHFFFAOYSA-N 448.457 0.855 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCNC3=O)cc2)c1 812563270 FMFKUPYVFFVOOD-UHFFFAOYSA-N 431.474 0.541 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 812733452 SLMILKVRSDINOW-DOTOQJQBSA-N 437.566 0.713 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 814100664 PZRCSWLFTOULLI-NSHDSACASA-N 428.186 0.626 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)n1 815569071 GESKZGJKKKFIRT-UHFFFAOYSA-N 436.446 0.464 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 817054844 AUTOXIPEQGZHJU-UHFFFAOYSA-N 447.429 0.584 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 817054859 BKOXETXBYKDHCN-OAHLLOKOSA-N 425.492 0.110 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912921686 RXTMQOBWHURDCL-IYBDPMFKSA-N 440.566 0.977 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916125119 ICQJNNMHXDVZBT-UHFFFAOYSA-N 431.536 0.303 50 20 ICGD COc1cc(OC)cc([C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2nccn2C)c1 916229103 LZTGHKKPJKEPBD-LPHOPBHVSA-N 437.522 0.908 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(-n3ccnc3)nc2)c1 916236715 UAUBPWXYBFGNPL-UHFFFAOYSA-N 443.489 0.662 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 918100119 MAMDPHPSXZHXGN-UHFFFAOYSA-N 443.478 0.602 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920406065 KDGAMMRFMQMUMV-AWEZNQCLSA-N 432.502 0.841 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 921238970 RARKTTHCWISRDO-ZDUSSCGKSA-N 434.474 0.498 50 20 ICGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cncn1-c1ccccc1 1252821828 GTWFNJYXULYEAY-DFEHZGFQSA-N 434.456 0.623 50 20 ICGD O=C(Cc1csc(NC(=O)c2cccs2)n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321439188 UHDHKBFKJZZVLS-SECBINFHSA-N 428.517 0.582 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3nccs3)CC2)cc1 1346898142 MRCIVHRVZFTAKL-SREVYHEPSA-N 449.558 0.619 50 20 ICGD Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)c(C)n2n1 1777783953 BMIRXZDAIBPPSX-QGZVFWFLSA-N 427.292 0.988 50 20 ICGD Cn1ccc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c21 1777967783 LELLCYXDXOMCTG-DEOSSOPVSA-N 447.300 0.615 50 20 ICGD Cc1ncc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779034805 VCGUBQJKNXPHKD-FQEVSTJZSA-N 444.517 0.136 50 20 ICGD Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779036550 AMHCGAVTBXFQAY-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332170 VHICSKFIJXQMQH-BBRMVZONSA-N 426.246 0.863 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782658585 XGCVDEXQWLCJHC-JTSKRJEESA-N 431.537 0.463 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783808652 JNNLGIWXTBAZOQ-GLDPYIMESA-N 449.511 0.932 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783966306 DRXZMZUVNYRWMM-CHUNWDLHSA-N 448.358 0.148 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1787525616 YGAVMQICYKUMCX-QPSCCSFWSA-N 432.359 0.769 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CO[Si](C)(C)C)C[C@@H]32)n1 1787636879 PCSLLDMGAMTXBF-BQFCYCMXSA-N 438.601 0.974 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3F)[C@H]2C1 1789433840 SGPMLGWONDODTQ-IXDGSTSKSA-N 441.463 0.731 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21 1791289088 JDZGFYUVISXSLE-FHWLQOOXSA-N 437.585 0.215 50 20 ICGD Cc1cnn([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1791597940 LWKRKPKQOQAGEH-OWSLCNJRSA-N 434.541 0.105 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1792868870 TXAOYQOKHHRFNK-MCYUEQNJSA-N 429.315 0.215 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1O 1794522141 NFWOKKYAIAGTPW-IHHIPJHASA-N 439.472 0.729 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncccc13)C2)c1ccc(B(O)O)cc1 1795734214 JQXAZVQTCHEVES-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)nn1C 1796892787 SLRUMOYIEMCTIN-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798344468 KGOAXQMBKSLOQE-UDZIGDOBSA-N 445.284 0.654 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(CO)CC1)C2 1798440610 FCZWDYDLFALCKS-BOXKHOIUSA-N 429.521 0.736 50 20 ICGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](F)Br)CCC2 1799346476 AAMPGGANFFKBLE-FJHTZYQYSA-N 429.290 0.803 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)[C@H](F)Br)CC3)C2)N1 1806848108 ASMZEXQSZGQYJU-JQWIXIFHSA-N 433.278 0.506 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362704 HOKBIPPBKPQCIO-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3nc4ccccn4n3)C2)CC1 1810474189 BHNVREOMJKOAFR-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811486355 NDNBUDLIUBJIMC-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1811545314 RTYSTBZQYKAAGD-DYESRHJHSA-N 437.504 0.974 50 20 ICGD CN1CCC(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813068070 IBTSOMOQEXBOKC-UGKGYDQZSA-N 444.580 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1813072274 DIKXBVSAEHQIBQ-MGPUTAFESA-N 444.492 0.255 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069734 YYJJFXCTMCBYIC-YIZRAAEISA-N 432.344 0.431 50 20 ICGD Cn1ccc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354610 LRXYCQHOWNIMJN-CQSZACIVSA-N 439.306 0.025 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@]1(F)Cl)CC2)c1cccc(B(O)O)c1 1815361938 VDADVKIHSIHJMH-FTLABTOESA-N 437.689 0.973 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(O)nn2)n[nH]1 1816300481 WTUYMSHGDYVVIM-CQSZACIVSA-N 430.469 0.584 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)[C@@H]1SC(=N)NC1=O 1817246043 YSVAPIFSHBSEID-NJANEAIBSA-N 445.954 0.457 50 20 ICGD Cc1n[nH]c(C)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820310428 OBPCSVNHIVIKDH-AWEZNQCLSA-N 439.306 0.702 50 20 ICGD C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)CCCN1 1820819495 GVJWPHJDUXCHJY-IIBYNOLFSA-N 440.508 0.856 50 20 ICGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1)C(=O)C(=O)O 1821713880 ZUOBTYNKRXXCIM-NSHDSACASA-N 444.286 0.730 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824184634 ARYXXJHJAAUYGE-OLZOCXBDSA-N 427.851 0.884 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827582511 WVWBLACUEHYIDR-WGYYVBSQSA-N 431.541 0.026 50 20 ICGD COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726914 WCSXPENVKPQCPM-UZLBHIALSA-N 441.912 0.079 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831654074 IBUWGLRQMNOYMS-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831751546 GTWXUHTVCPKVOH-ABAIWWIYSA-N 433.328 0.782 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1832285996 PIFBSUMMXGNUBN-KBXCAEBGSA-N 448.358 0.342 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCS(C)(=O)=O)CC1 1832398960 CJGMDVUVLXGGPI-KRWDZBQOSA-N 444.598 0.414 50 20 ICGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834566879 AWZVKQYJELGJFB-MRXNPFEDSA-N 438.338 0.912 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834823500 XOIAHVKMKOWMEJ-SFHVURJKSA-N 443.342 0.838 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1836396567 BLFMVUPAXFYRJT-LJQANCHMSA-N 428.021 0.823 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nn1 1838832498 QALRBTOGIRRIAZ-QGZVFWFLSA-N 433.292 0.749 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1C 1839150461 NAUXALGWSFGDKB-OALUTQOASA-N 447.363 0.964 50 20 ICGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197793 INVNWPSDPHCKNN-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839963542 NTMABOIADGZQFY-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(C)C 1844162721 NABLCWADWMKNIE-QIWJOQEQSA-N 431.493 0.912 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC(C)(C)C)C1 1846088722 SVEZCNBVHILNHP-ZVHZXABRSA-N 446.508 0.849 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21 10158802 VJUGMHMJHGTVKH-UHFFFAOYSA-N 434.412 0.676 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 21202056 ZVUDIGTVLZEANL-UHFFFAOYSA-N 446.485 0.692 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 727145316 JDGDTOAFNSNCSU-CABCVRRESA-N 440.522 0.640 50 20 ICGD C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728384254 CMRXPLYREUFDBB-HIFRSBDPSA-N 443.547 0.445 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1Cl 728509903 RZEFDTYLLJQGEV-LURJTMIESA-N 434.721 0.350 50 20 ICGD C#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 728797663 QIXJAMHPKUDVSN-UHFFFAOYSA-N 442.497 0.478 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3ccccc3F)cnc21 731329090 WZOGJNZCEPLWII-UHFFFAOYSA-N 437.229 0.422 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 731839283 SLRVFDNVWYHDKX-LJQANCHMSA-N 448.520 0.325 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ncn2nccc2c1=O 732750940 DUDUASFDQSESQT-JTQLQIEISA-N 435.238 0.268 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2cnn(C)c2)nc2cc(S(N)(=O)=O)ccc21 735446009 OYKOHMPVJQCTRI-UHFFFAOYSA-N 433.494 0.221 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1C 736765686 BFODWPJQTSCQQW-UHFFFAOYSA-N 445.563 0.985 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(F)c1 739669992 BNGICCLIAAEHLE-UHFFFAOYSA-N 432.842 0.621 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1ncnc2[nH]cnc12 740746739 JPTZQEKTPKMFRE-UHFFFAOYSA-N 431.478 0.450 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1Br 740812729 YEWUXOYPRGWUIC-UHFFFAOYSA-N 442.313 0.823 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 742075842 IQOWQZJWUUULAT-OAHLLOKOSA-N 434.497 0.789 50 20 ICGD C[C@H](CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 742469655 GEUZDSOCVCGKJQ-WBMJQRKESA-N 444.469 0.491 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 744386307 AUFCOICOHFWJAB-UHFFFAOYSA-N 435.528 0.963 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)Cc2cn3ccccc3n2)C(=O)C1 746545448 NDLGULJERHSSAR-UHFFFAOYSA-N 430.465 0.104 50 20 ICGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747786029 HCNWJXNPQUTTND-OALUTQOASA-N 435.484 0.749 50 20 ICGD O=C(NNC(=O)c1ccc2nncn2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 749716028 ZCWPMGZLNHKLFT-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 751209889 WYMZSBGINKCCQZ-NTEUORMPSA-N 429.437 0.758 50 20 ICGD C[C@H]1C[C@@H](CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 753334273 GWSXZCPCBSRTCH-HOTGVXAUSA-N 440.570 0.849 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(OC)cc3)cc21 763661206 LIWZGKBSLFZSFN-UHFFFAOYSA-N 441.444 0.856 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 764002501 NKYRPLUSQIZJAK-CYBMUJFWSA-N 432.458 0.703 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 764015904 AVJSUMYQARCSKK-UHFFFAOYSA-N 437.412 0.996 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C 764077784 NJZZAIZANLMLMC-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764168826 RFSNVIKZTBACDB-INIZCTEOSA-N 435.433 0.460 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 764228603 YXUWBTTXUBSBDR-AWEZNQCLSA-N 447.517 0.347 50 20 ICGD O=C(NNC(=O)c1cc(Br)ccc1O)C(=O)Nc1cccc(-n2cnnn2)c1 764278077 RHBFJZSJNUMOMB-UHFFFAOYSA-N 446.221 0.530 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 764424310 HZDWLQPXICCHGF-ZOKDDAQRSA-N 437.518 0.769 50 20 ICGD CCCCO[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635897 INMPPYSPWQXPLH-QGZVFWFLSA-N 440.566 0.654 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc2c1=O 769158226 ZRTAPWYPAYFIDF-ZWKOTPCHSA-N 442.520 0.738 50 20 ICGD Cc1ccn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)c1 770813902 MWOSRLJHYNPGAQ-UHFFFAOYSA-N 432.502 0.793 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 771882134 MJQLJLHWFOWPHF-LLVKDONJSA-N 447.897 0.464 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772883507 BNYJZTBGJVACAL-UHFFFAOYSA-N 440.865 0.495 50 20 ICGD O=C(NNC(=O)C1CCC1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 782549253 GJYKBIHSJGXYJB-CYBMUJFWSA-N 430.508 0.105 50 20 ICGD Cc1cc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)n([C@H]2CCS(=O)(=O)C2)n1 783349675 NIACOTIBBBGBDV-LBPRGKRZSA-N 448.530 0.675 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 785639318 CSFYKHFQMJTIHF-QZTJIDSGSA-N 441.488 0.195 50 20 ICGD Cn1nnc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 787446929 ZRHHBWJQUIOFLD-UHFFFAOYSA-N 433.436 0.056 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1Cl 789857442 STPYHISPYFAVGL-UHFFFAOYSA-N 430.914 0.754 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(-c2ccoc2)n1 789992357 YVIKPNNCZQTEFE-UHFFFAOYSA-N 436.472 0.899 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 790871315 OZDCVKJOYGERQC-UHFFFAOYSA-N 431.305 0.823 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)c(OC)c1 800623406 OFIAAVDEKFJSQF-UHFFFAOYSA-N 442.476 0.805 50 20 ICGD O=C(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 808767707 SUVXSNRZEFVWAG-CYBMUJFWSA-N 439.494 0.150 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810394862 DIORBMQITJYFCA-UHFFFAOYSA-N 428.199 0.066 50 20 ICGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812445791 ZNMOIRYJZHGARC-JKSUJKDBSA-N 441.550 0.706 50 20 ICGD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CC[C@@H](B(O)O)C1 864234389 QZHYEVRLWHDXQV-OAHLLOKOSA-N 438.311 0.324 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 914333720 PWYDXTGRPYLKLB-UHFFFAOYSA-N 435.444 0.006 50 20 ICGD CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916365039 ZLVBAPRCLRREGQ-INIZCTEOSA-N 438.550 0.516 50 20 ICGD CN(C)C(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916623900 BDBHIBHZFMPVLC-UHFFFAOYSA-N 447.517 0.587 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)nc2ccccc21 916645208 IVWHZIRJIRGHEK-UHFFFAOYSA-N 444.517 0.566 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)NC3CCCCC3)CC2)cc1 917906592 AARCUEXEIZPFBX-UHFFFAOYSA-N 437.566 0.964 50 20 ICGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N1CCCCC1 918120574 PIDYAXJKZBHOTQ-INIZCTEOSA-N 439.586 0.518 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 920826793 PMBTUVOAEWXLJX-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD O=C(NCc1ccc2c(c1)C(=O)NCC2)NNC(=O)c1csc(N2CCOCC2)n1 1342434915 POYHBVSXPHJHLD-UHFFFAOYSA-N 430.490 0.410 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782551984 UEIXLYOFPUXIQC-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676615 LEDGWXAXRKFZFQ-IAGOWNOFSA-N 433.292 0.627 50 20 ICGD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1C(F)(F)F 1784086826 PAAPWVVVBRJADY-BQUFFADESA-N 438.834 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)[C@@H](O)CCl 1784096472 HZLDRQPPHJUNFK-IJDQCGTQSA-N 440.880 0.396 50 20 ICGD CC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N(CC)CC 1784628504 YUCJOQVXOUAJGN-VMXMFDLUSA-N 445.369 0.080 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787538466 ABOOXDMOLOGPIC-IKICRFKJSA-N 448.907 0.359 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C[C@@H]21 1788609742 FNZBGQJVFFIIFH-OKKOPOJRSA-N 443.529 0.154 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789191520 KOWCBBCKZIWGJO-UGQVUOCMSA-N 449.895 0.633 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1791253507 DDQSHMQBJGIDPH-UFYUIRFASA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21 1791289166 MBVYBCKJGVCURF-ZVZYQTTQSA-N 446.552 0.255 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@@H](O)CCl)CC2 1792983826 QFCZHRDLGRODQC-XYKCEAJKSA-N 436.936 0.989 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)CC1 1793845975 KPRIBRHCSYYBCY-BGRQEXKUSA-N 436.553 0.977 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793848623 KQWBCDOBCOXQMN-YIYPIFLZSA-N 426.311 0.971 50 20 ICGD N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)c1cccnc1 1795112598 LRPHVJYLEOUUTN-KRXQYRFLSA-N 425.327 0.846 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400092 WFNQPZQRXFCSFH-ZHEXZJMTSA-N 429.348 0.777 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(OC)c1O 1799667217 ITHQNVXRKQKGBM-FAXLKDOZSA-N 442.896 0.866 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011932 VTEWNZLEQXVFJU-VPTLXERWSA-N 448.568 0.603 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803148554 SREKGHDPJMEVBQ-XUWVNRHRSA-N 429.926 0.264 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803612961 SZPFZSVQYGWYFA-MEGFKASBSA-N 439.321 0.488 50 20 ICGD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804648547 NPTOPJOLSYCJBK-KNQAVFIVSA-N 445.288 0.114 50 20 ICGD Cn1cncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805814497 VFBXBNLSPQIDBF-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806769194 RYGNUJMLDQLSKN-QAPCUYQASA-N 427.599 0.984 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360509 KSTZWLKOIVUGOF-DYESRHJHSA-N 449.272 0.480 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361244 WHHQZHLHAKXCBQ-RXVVDRJESA-N 425.294 0.506 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)nn1C 1809978087 WIMXJNRPSLPSGB-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)no1 1810978230 MSGSCIJRJMSMQH-KXBFYZLASA-N 436.233 0.088 50 20 ICGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815293617 IAECKUSYNFGENN-XHDPSFHLSA-N 442.480 0.226 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343998 BBMKJRLDBHXEID-PBHICJAKSA-N 443.334 0.622 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344094 HFWUJZUETQVQRS-NGFNCXNUSA-N 449.363 0.207 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815774148 XBWFAPMSDSYWAC-GDPRMGEGSA-N 441.286 0.783 50 20 ICGD CCOC(=O)/C=C/C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816751794 OLIXYKOFXISOSD-FVNWOWOISA-N 440.265 0.515 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n[nH]1 1817471995 ASASJHIPTOWMHX-SFHVURJKSA-N 436.281 0.670 50 20 ICGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN)[nH]n1)NC(=O)NCc1ccccc1 1820711596 UBMLMQDTRBIQKQ-KRWDZBQOSA-N 442.524 0.707 50 20 ICGD CO[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830726110 UWKZBQJVFLALHP-HLIPFELVSA-N 426.897 0.430 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731223 ICCJWKMZQBSTGI-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831429708 PFKRSMSWEDTUPP-QRWLVFNGSA-N 429.326 0.124 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccco1 1834104188 DHEJRJJZQGTZOI-UHFFFAOYSA-N 425.294 0.458 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)O1 1834799987 LYEPXUIHNHFMDS-IIBYNOLFSA-N 443.353 0.119 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835379297 NYVZGDAOKXDWCW-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n(C)n1 1837715458 RAOWAPOXUNTMTC-HXUWFJFHSA-N 438.601 0.904 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)[nH]n1 1837987030 BHHDTODQAOYOLW-KUHUBIRLSA-N 428.917 0.377 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840152082 WTMBQHCLPWTHBT-YOEHRIQHSA-N 435.308 0.247 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840153118 DZRCDTCJLVIDAD-DJPFJPOOSA-N 438.908 0.700 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840234654 YPZLGSFOAZJFNZ-HNAYVOBHSA-N 434.917 0.166 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378829 IHJNDIHUFCLPDT-DYVFJYSZSA-N 431.946 0.761 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc(F)c1F 1840702949 BIJHQXFRPCTTIV-DNVCBOLYSA-N 432.851 0.943 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncn(-c3cccc(F)c3)n2)C1 1842168912 MXOXUCCKJPLVNY-UHFFFAOYSA-N 449.251 0.217 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843011675 DSIVEYJAXJEZKF-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD O=C(c1ccnc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013565 MAPQCLCFCBLKJZ-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1845169456 LBOSEDWTJFQTII-OAHLLOKOSA-N 426.366 0.157 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 10963044 SVDSXTGFIDYSML-INIZCTEOSA-N 433.490 0.498 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 26539324 KMICKRYJIOANCZ-UHFFFAOYSA-N 431.474 0.759 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccncc1 725869760 SYTWXPZKRLALQA-OAHLLOKOSA-N 438.893 0.729 50 20 ICGD O=C(NCCCc1nnc2n1CCCCC2)NNC(=O)c1csc(N2CCOCC2)n1 727606961 JVNNLFFZURDZJT-UHFFFAOYSA-N 448.553 0.874 50 20 ICGD COc1cccc2c1OC[C@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2 728399240 LYDPKYICPFETAO-CYBMUJFWSA-N 433.490 0.936 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 728488972 XBAXVVKGLBYJDL-LLVKDONJSA-N 444.416 0.215 50 20 ICGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1cc(F)ccc1Br 728550985 RZEXQIYMHVSTNO-UHFFFAOYSA-N 434.287 0.941 50 20 ICGD COC(=O)N[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C 730955505 PVRMLIAMZYGWHA-HNNXBMFYSA-N 426.495 0.613 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 731972581 ZCARGSBUIHISOH-UHFFFAOYSA-N 431.517 0.477 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1=O 733110612 XIIYLOQWHHPOFS-UHFFFAOYSA-N 432.440 0.830 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC[S@](C)=O)cc1 735049270 MUWYXLKHUFEBSP-XIEWPBCPSA-N 429.502 0.836 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 742481565 ZLJHEYOONFRKLI-OHDICMOHSA-N 445.472 0.798 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1ccc2ccccc2n1 749904642 JVKSWUDXHGUFIR-UHFFFAOYSA-N 442.443 0.874 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 755692787 UGFYTDXAPRWRIV-GFCCVEGCSA-N 431.478 0.247 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756095321 MQPIJWSPUAUNER-ILRDRHFLSA-N 426.473 0.820 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 756100913 XECVFZGWVOPHHB-NXNVCVFFSA-N 439.472 0.379 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 756206153 UVWIWPQSXXKGLA-CYBMUJFWSA-N 433.490 0.707 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 756825090 RKRMFMRJWYXVOK-JOCHJYFZSA-N 438.488 0.247 50 20 ICGD CN(NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758788160 XUJXPMFOLDHUCA-UHFFFAOYSA-N 447.558 0.294 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCO1 760976310 UFELUFMVTSUOCZ-PBHICJAKSA-N 431.493 0.933 50 20 ICGD COc1c(C)ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 763719009 TZNWRTVXBJLUFC-UHFFFAOYSA-N 448.501 0.962 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cc(CC)nn2C)c2ccccc2c1=O 763801573 YUONHGVMFLDELV-UHFFFAOYSA-N 439.476 0.892 50 20 ICGD CNC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1Cl 763802631 FICMGNYAIXNFPV-UHFFFAOYSA-N 449.807 0.773 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764127031 QMYWYMLUFKHAPU-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc2c1=O 764345121 OBZRJCVQMLZPOJ-UHFFFAOYSA-N 426.458 0.291 50 20 ICGD CN(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1 765313319 KNGLSRRJHMYJRL-UHFFFAOYSA-N 429.499 0.154 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1F 766260808 KCMPRNUGLYHJOB-JTQLQIEISA-N 448.411 0.388 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)sc2c1CCCCC2 783427049 PIKVOVVVCPUYFF-GOSISDBHSA-N 443.547 0.940 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1OCC1CCOCC1 783427994 SEQQIDWGMBTGLQ-HXUWFJFHSA-N 439.534 0.937 50 20 ICGD COc1cc(C)ccc1Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cn1 783996762 NCTDZRZQHOLRGH-UHFFFAOYSA-N 441.444 0.899 50 20 ICGD C/C(C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)=C/c1cccc([N+](=O)[O-])c1 787162463 KZYXCQXZSCTUIV-CXMCFMAASA-N 425.405 0.547 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1C 787542083 ZPMDQALSBGMZLP-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc(N2CCN(C(C)C)CC2)c1 792278537 BMSSLLHIOBCSQC-UHFFFAOYSA-N 444.536 0.234 50 20 ICGD CC1=C(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)n2ncnc2N1C 798824399 IOVIRZHSHHROAI-QGZVFWFLSA-N 438.536 0.923 50 20 ICGD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 799257485 LHJVLJITDWWOIU-INIZCTEOSA-N 430.373 0.919 50 20 ICGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNc3cncc(Cl)n3)c3ccccc32)N1 806998256 UCHHQHJYGBQBGJ-NEPJUHHUSA-N 430.852 0.609 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)nc1 807528298 MFGUZNNSYAKILF-CYBMUJFWSA-N 448.571 0.209 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1C 815827306 TXEQDAIXEKKBOC-UHFFFAOYSA-N 427.461 0.031 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 843478893 ZLMPEPBGLNUOSA-CYBMUJFWSA-N 435.458 0.366 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(C2CC2)[nH]n1 913145138 LLRNDSLMTSAVFC-UHFFFAOYSA-N 447.517 0.702 50 20 ICGD C[C@@H](NC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1cccc(S(N)(=O)=O)c1 916197027 KGTIQTGNWDBUAP-GFCCVEGCSA-N 430.490 0.855 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)COc1ccc(C#N)cc1 916237625 JNLFFAYSBRPECY-UHFFFAOYSA-N 431.474 0.718 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccccn1)c(=O)n2Cc1ccccc1 916330789 APVCTWPEXCZVDZ-UHFFFAOYSA-N 431.456 0.973 50 20 ICGD CC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 919889737 SGSMESJIXSTVOT-CHWSQXEVSA-N 441.901 0.462 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1O 919958166 FCNQMUKNTKYRDU-UHFFFAOYSA-N 435.458 0.497 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 921302100 PULZALBHRHWHSN-UHFFFAOYSA-N 434.474 0.624 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc2n1CCC2 1318329028 GODHGQFZWNSYRK-CYBMUJFWSA-N 447.521 0.714 50 20 ICGD CN1C(=O)C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 1318799698 TYDHUQADEWJQRI-RDTXWAMCSA-N 439.424 0.667 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1778949240 BBEJYNWLONLNKH-PBFPGSCMSA-N 433.347 0.555 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3nc[nH]c13)CCO2 1779030193 IMCCRKMXZSJKEK-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034761 UOHOBGONRLJVFW-QRQCRPRQSA-N 441.488 0.600 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781102199 NEBOSMJZLYJUIC-JJRVBVJISA-N 435.338 0.143 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1781441038 QLPMMSNKEDQBBI-HNAYVOBHSA-N 425.869 0.908 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1783967762 LMIWEUHGACPXPO-VOAKCMCISA-N 425.345 0.042 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C[C@@H]21)[C@H](O)CCl 1784091957 FYMRNMBPYLUSCL-JAQSECSASA-N 434.924 0.332 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)=O)[C@H]2C1 1786346946 LEWDDJRZDZSYBP-OWQGQXMQSA-N 433.417 0.702 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCC3)C2)c1ccc(B(O)O)cc1 1795732861 NPRRZWBLMIXLSQ-RUMRUAAYSA-N 448.328 0.301 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)ncc1[N+](=O)[O-] 1797071256 SPAGLNKMGXYKRA-BJWYYQGGSA-N 438.249 0.544 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799481153 DPWAPWFMUSBIBG-ZSBIGDGJSA-N 427.421 0.487 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N(C)C)c1)C2 1801011783 CALWWSLSFCNZLH-UPHUGPLXSA-N 431.537 0.329 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1803517743 JVFYCWLKJVZIEC-ZOBUZTSGSA-N 431.942 0.776 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803543196 KSSYKTHWSQXJRV-BSIFCXSSSA-N 435.289 0.119 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)[nH]1 1803819845 NFRKSOQHDMMCRG-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD CC1CCN(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CC1 1805812837 GXUIRWGKLJGJSV-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)Br)CC2)C(=O)O 1815086374 IMJLDSJPXYEIFW-QXFUBDJGSA-N 433.328 0.901 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccn3)sc2C1 1815715899 XLCZJQUVORSGLL-LLVKDONJSA-N 440.489 0.264 50 20 ICGD Cc1nnsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475371 OZAHYIBVHZRRDW-OAHLLOKOSA-N 440.294 0.869 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 1817479101 LYORKXPXWAXJAA-MAUKXSAKSA-N 426.282 0.822 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819513525 VCPRELFZLRKSAW-TUKIKUTGSA-N 449.899 0.610 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1825641998 NDQULRYQEIOZCZ-RKDXNWHRSA-N 429.344 0.678 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826136406 KZXRUHVEUSGRCA-AAEUAGOBSA-N 443.595 0.542 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)cco2)CC1 1826223722 DQQUADKSVYXNCN-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827056304 VOLDGIRBSSOFMB-QUCCMNQESA-N 441.337 0.126 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1C 1830363598 DTICSNVUNBSWKM-LJQANCHMSA-N 428.917 0.764 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1830366517 RKIKUATUIAIUSD-IBGZPJMESA-N 442.900 0.282 50 20 ICGD Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738849 VSIOYDFCUQNHRB-LPHOPBHVSA-N 428.917 0.028 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)n[nH]1 1833821075 SOAZCZUVZIJRCW-IBGZPJMESA-N 426.901 0.947 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834821438 KEWDGGAQNWXKGQ-HNNXBMFYSA-N 446.258 0.173 50 20 ICGD CCOCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737320 IAZFXVOBSKCOLK-UHFFFAOYSA-N 446.552 0.297 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114466 NYFRIOHVBPZHNU-KSSFIOAISA-N 444.941 0.279 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836469068 KOPBAOZURZOAEV-RDTXWAMCSA-N 429.832 0.457 50 20 ICGD O=C(c1cncc2cnccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838460914 QPRQXSQDGZQWPE-PXNSSMCTSA-N 434.880 0.300 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839049770 VGDZXKZOVJBUMS-SFHVURJKSA-N 442.303 0.532 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839152099 NPSBJFNSRJCKIO-LSDHHAIUSA-N 447.262 0.789 50 20 ICGD CCc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152994 AOQCXATUPVYOII-IFXJQAMLSA-N 429.901 0.869 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840153509 QKVZVXHQLFETBJ-AUUYWEPGSA-N 443.884 0.562 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184338 HKQWDSHZRVILGW-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840189670 GAKARUJMNLXNKM-DNVCBOLYSA-N 431.316 0.850 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840331064 ZRHPYDANETVRNX-MDYRTPRTSA-N 425.913 0.316 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CBr)C1 1841287920 ODXQXHXDYNSXAC-BXUZGUMPSA-N 433.299 0.716 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442259 JFJUDGCYGHETFF-UHFFFAOYSA-N 440.504 0.356 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1cc(F)ccn1)C2 1844263584 SNQSGSNERZULEI-UHFFFAOYSA-N 426.452 0.669 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2CCN(c3ccccn3)CC2)C1 1845031948 ZUROIHMZAGUHNV-UHFFFAOYSA-N 448.332 0.495 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845620467 NOEHDLVCHJPMEY-UHFFFAOYSA-N 436.252 0.592 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846364758 IJHUNESYSWFUGF-VBKZILBWSA-N 445.944 0.816 50 20 ICGD CCCS(=O)(=O)NC1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725874434 ZHKUCLHQWXZEMD-UHFFFAOYSA-N 431.540 0.013 50 20 ICGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 726278112 UNZZXZQDQACIOD-HNNXBMFYSA-N 436.469 0.247 50 20 ICGD C[C@@H](CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NC(=O)C1CCCCC1 728343330 MTXOJXULNKUWLM-KSSFIOAISA-N 447.488 0.992 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(OC(F)F)c1 728545088 XIOCYCGHZQLQOD-NWDGAFQWSA-N 431.417 0.085 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)n1 728729344 NWEIIFXTSDGJBT-NSHDSACASA-N 443.478 0.686 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCCN2C(=O)c2ccco2)n1 728731509 BVMMPCYJTHDRQL-CYBMUJFWSA-N 434.474 0.973 50 20 ICGD CN(CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)S(=O)(=O)c1cccnc1 728972070 DQISUCXQMNYSSS-UHFFFAOYSA-N 434.446 0.842 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 729275174 MOSKMHCUCOKFQS-AAEUAGOBSA-N 430.914 0.277 50 20 ICGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCOCC1 729624607 YLMWKFKZSXAECE-MOPGFXCFSA-N 432.569 0.638 50 20 ICGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)Cc2ccccc2F)cc1 731344562 RMVOVYIJNZNDDX-UHFFFAOYSA-N 441.506 0.975 50 20 ICGD CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)c3cnn(C)c3)cc21 735462853 YETZPAPANKFCER-UHFFFAOYSA-N 442.295 0.715 50 20 ICGD COCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 737751800 NSEGNWHBHGJARA-UHFFFAOYSA-N 443.503 0.707 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 737757072 ZSKKWPZDAPFDBI-UHFFFAOYSA-N 439.515 0.654 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 740850882 CUXLZJHROBESED-UHFFFAOYSA-N 449.533 0.411 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C 741647875 RUGQVBKZYMIHQV-UHFFFAOYSA-N 443.551 0.458 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 743252404 AMOZMFYLIRTIOA-UHFFFAOYSA-N 445.862 0.801 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 746218054 SPEJVOMPJHVKFB-SFHVURJKSA-N 432.440 0.869 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 747323968 VJGVOOXCMBDBHI-HDICACEKSA-N 438.488 0.363 50 20 ICGD O=C(NCc1csc(CNC(=O)c2ccccc2)n1)NNC(=O)C(=O)N1CCCC1 750663118 MWYQQVLGPIDZHI-UHFFFAOYSA-N 430.490 0.526 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 756462077 YJKQZOVKGGLGEK-SNVBAGLBSA-N 426.524 0.954 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC 756601525 NWPGNKQGCRAODR-RHSMWYFYSA-N 427.523 0.752 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 757799076 SUODBSJPUYBKEI-GFCCVEGCSA-N 449.555 0.101 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)n3nnnc3C(C)(C)C)CC2)cc1 758360605 HEZHFTUEQKXRKX-KRWDZBQOSA-N 442.568 0.805 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC[C@H]3CCCCO3)nc2)CC1 761039211 YWTNBYISCOMBDY-MRXNPFEDSA-N 440.570 0.993 50 20 ICGD O=C1CSc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2N1 763569486 ACUNTLXPOFAPBA-AWEZNQCLSA-N 428.426 0.657 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763573303 YKTJSNOALWONRH-HNNXBMFYSA-N 425.401 0.356 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1C 763840262 OWAQTPCPURXZNY-UHFFFAOYSA-N 438.437 0.255 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1OCC(F)F 763917580 YMRAXYKYTCQIBX-UHFFFAOYSA-N 431.359 0.706 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(N)(=O)=O 763976686 DFYZAWRAOQSKPZ-UHFFFAOYSA-N 443.485 0.788 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)o1 764371316 NNODBNOYQDQDJW-UHFFFAOYSA-N 443.460 0.050 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)n[nH]1 765603124 ZRUZUQCAQNBTSM-UHFFFAOYSA-N 435.487 0.798 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 765737097 VZYFDXRJKFULKL-IBGZPJMESA-N 436.468 0.374 50 20 ICGD C[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)N(C)C)cc1 770347038 DVLKQWUYZOHBJM-SNVBAGLBSA-N 434.482 0.707 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C(=O)N1CCCC1 770950023 YPVBWSWUECKUOO-JTQLQIEISA-N 436.412 0.142 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)c1 772088765 PUBHCADCTBPMSC-LLVKDONJSA-N 442.494 0.755 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C 778510016 APURKPNBJXWOIG-UHFFFAOYSA-N 435.462 0.586 50 20 ICGD Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002957 XTIYMXBLKZNJSR-UHFFFAOYSA-N 441.444 0.340 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784458830 GXOMEJASZZZIBR-JKSUJKDBSA-N 438.525 0.880 50 20 ICGD C[C@@]1(NNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCS(=O)(=O)C1 786967325 VMPNVJVTAKDYAI-CRAIPNDOSA-N 430.477 0.837 50 20 ICGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)c1ccc(F)cc1Br 798281578 OHYGAFZJRZTIHH-LBPRGKRZSA-N 431.262 0.756 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)cc1 802032844 JJWZNRVHBFUPCI-UHFFFAOYSA-N 428.474 0.629 50 20 ICGD O=C(COCc1ccccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 805158514 RRYNSWMAKJEMGJ-UHFFFAOYSA-N 434.474 0.080 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nccnc3C3CCC3)cc2)CCN1 805461977 UCNKXOLEECZDNW-UHFFFAOYSA-N 430.490 0.622 50 20 ICGD Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 808069943 MMPSFOBVJGAMNP-UHFFFAOYSA-N 439.302 0.968 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)NCCc2cccs2)cn1C 808081193 NKAGHEYWKAYZBD-UHFFFAOYSA-N 428.492 0.568 50 20 ICGD CN(C)c1nccc(NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 810428155 YLPOESHKXSTDDD-UHFFFAOYSA-N 435.329 0.788 50 20 ICGD Cc1cc(N2C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2=O)ccc1Br 914442382 FQZLIHFNCYDBCI-LLVKDONJSA-N 425.283 0.782 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1S(N)(=O)=O 915595276 CTRHKPCHDKRTLC-UHFFFAOYSA-N 439.465 0.867 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)o2)c1 917900835 FWHDJEHDCCXHDC-UHFFFAOYSA-N 444.491 0.032 50 20 ICGD Cn1c(=O)cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc21 1254755903 ZPVSWYRYUIRHPU-UHFFFAOYSA-N 428.308 0.979 50 20 ICGD COc1ccsc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779845029 NZRNFKORDXUHNU-HXUWFJFHSA-N 430.291 0.194 50 20 ICGD Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c(O)n1 1780141422 KBLCOLCVEIRHEM-VGOFRKELSA-N 447.536 0.596 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1780616096 OLGQZNAXWIYQLO-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334486 OBIBQQZYPBKLRV-WBVHZDCISA-N 440.273 0.792 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787474607 CKFNHYMUDUXCLB-UVPYHEFZSA-N 443.317 0.622 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1787627696 DNEVZTXYZUSBAF-BQFCYCMXSA-N 438.601 0.974 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1788565411 JEPGAQZDMKAULC-REZKGXPESA-N 437.368 0.910 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788764242 GPCAEDPGWMHUCM-OBJOEFQTSA-N 425.518 0.763 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(Cl)n1 1794195364 BDLPHVXUSQKQPF-VTEUUUEMSA-N 437.928 0.240 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cccc1C=O 1796199900 DVRBORGUFPEWGS-LVQVYYBASA-N 438.488 0.812 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1797956828 FMBNJHBCIJPHDA-XUWDSBLOSA-N 427.574 0.957 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1F)NC(=O)NCc1ccccc1 1799177988 QHKXXXJBRBKPAC-VBRUWADQSA-N 447.511 0.280 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C 1800192329 GIVGTVJFKVZATJ-BCMCZCDPSA-N 428.493 0.379 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803402625 RFSNALDIBLXMRK-QUCCMNQESA-N 437.305 0.696 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803503129 QOUZIOCCNKBSEL-OEAJRASXSA-N 446.957 0.015 50 20 ICGD CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804078369 HDDQHJPGIAKEJM-GHTZIAJQSA-N 439.321 0.896 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCO2)[C@H]1c1cccnc1 1807697060 YRHXSOCYYJZIRX-KFKAGJAMSA-N 438.488 0.579 50 20 ICGD COc1ncccc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975053 RBZSLHSWLMKIGD-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1813027690 FVUKVVVTSJHAMO-YQQAZPJKSA-N 425.917 0.612 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1 1813071746 WWVJHDMHOMBQOM-KSSFIOAISA-N 431.522 0.626 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813177256 MMYDYPGKXMFJPQ-WPKBUWHJSA-N 449.305 0.796 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCC1 1814049455 DHHWKSLNGFSSGG-AZUAARDMSA-N 432.289 0.775 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2 1814808087 OPRDNLUJPGIDSY-HFJPGXAFSA-N 436.307 0.338 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815103352 NYXKCDOBJUIDKM-GUYCJALGSA-N 441.297 0.310 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)O1 1818872115 NTEHXPYOCIUPKD-JEBQAFNWSA-N 426.282 0.963 50 20 ICGD N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932927 VKPDFBKGJKYAIB-GXFFZTMASA-N 430.282 0.932 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1824459389 PVHJJDXBXYYJPS-FVQBIDKESA-N 437.990 0.534 50 20 ICGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1825322997 AQCWNOUDFYDIDT-LLVKDONJSA-N 449.371 0.127 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825640732 CUKKFNKNPYBSCQ-XHNCKOQMSA-N 432.344 0.431 50 20 ICGD Cc1nnc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)o1 1827053072 URDLEYOXINGMBM-LJQANCHMSA-N 440.309 0.534 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055953 PFFBMLTYOQTXQR-HNAYVOBHSA-N 429.326 0.111 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1830538309 BNXXIMGXBIEQOZ-GUYCJALGSA-N 427.299 0.578 50 20 ICGD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2)C(=O)O 1830545113 DXBVPYHMYZLKEU-CRASNYAKSA-N 433.299 0.505 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1830545578 LEKLULIKTYCDKI-CKEIUWERSA-N 444.330 0.327 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732126 RRFMBITYBPCCEC-FOIQADDNSA-N 449.895 0.141 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831346176 SDYSGRYKMZQWQG-KNQAVFIVSA-N 447.919 0.833 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831453005 YCCXKFTXIHJHTJ-KSSFIOAISA-N 438.974 0.389 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1831641292 XWUCCKLZWRCPBP-QRWLVFNGSA-N 441.912 0.165 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1831647834 ZBZOPNBATYBZFK-RXVVDRJESA-N 445.004 0.488 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833163291 PFDBPECKQQCUGH-KRWDZBQOSA-N 427.299 0.261 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304428 HXYLUADRRDJNTF-HXUWFJFHSA-N 438.912 0.516 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833440260 VMFIQJSVHPTEEK-OAHLLOKOSA-N 431.375 0.868 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834823782 KHHYEFQAMXKYEI-YPMHNXCESA-N 446.111 0.918 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835623028 MBFDHQHYVHHIDL-INIZCTEOSA-N 431.287 0.420 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457316 OWESPHAWTPJZSD-BFUOFWGJSA-N 437.884 0.282 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)C 1837224446 QYRVKTXXEUTAJW-DYVFJYSZSA-N 425.309 0.834 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)N1C[C@@H]2C[C@H]2C1 1837286140 AHFUHJNNSLFWTM-ZFHCCXERSA-N 448.333 0.474 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n(C)n1 1839201089 VWZGMTZEINBPPS-WMLDXEAASA-N 447.305 0.743 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839964028 CYRWNJCIBHBGTA-RDTXWAMCSA-N 448.358 0.389 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)N1CSCSC1 1843014211 KTDVRLGDGHYCBQ-AWEZNQCLSA-N 435.380 0.226 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2c1 1844050405 CCRAAKXFSUNJKU-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844498288 VCNDYGSGMFFACG-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 15795235 ZRJPBJIMEXIDLY-AWEZNQCLSA-N 426.341 0.178 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 726075803 NSFCVCUAUTUTDY-UHFFFAOYSA-N 427.552 0.379 50 20 ICGD CCc1ccc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 727063052 ZPEFVNUJXOLJGT-UHFFFAOYSA-N 433.266 0.916 50 20 ICGD Cc1noc(CCCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 727603684 ARWGLLTZRCMSCJ-UHFFFAOYSA-N 436.494 0.739 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc(F)cc1 728704765 LIMAAZMXBORORX-UHFFFAOYSA-N 436.421 0.445 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)Cc2ccccn2)CC1 729231207 ITGDNJOLYJIUEX-UHFFFAOYSA-N 434.497 0.472 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cc(Br)c[nH]1 729282207 MNNCYOURLNTMND-LBPRGKRZSA-N 433.270 0.827 50 20 ICGD O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Cn1ncn2nccc2c1=O 732750545 UKEOUGFJXSXUFG-UHFFFAOYSA-N 432.440 0.708 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 733125420 GVYFSWSHONILFQ-LSDHHAIUSA-N 440.504 0.027 50 20 ICGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)c1 743264493 WCCHFMFWUQQMKN-UHFFFAOYSA-N 434.293 0.720 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)c2cncc(NC(C)=O)c2)C1 746307399 UJPZKTSGOQGPRO-GOSISDBHSA-N 438.444 0.999 50 20 ICGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751282132 JNAZFWTTYOBURT-UHFFFAOYSA-N 441.487 0.430 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1 755368472 DFFKWVBNCIQPGH-SECBINFHSA-N 425.858 0.934 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 758039480 KVFPWAXOQPIAIQ-HTQZYQBOSA-N 442.719 0.955 50 20 ICGD Cn1cc(-c2cncc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c2)cn1 758511884 DDFZVAXGYTTXIR-UHFFFAOYSA-N 428.312 0.922 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535791 SCTWBSAWEILFLI-GFCCVEGCSA-N 442.401 0.905 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 758692773 YBRUZZHPOAMOEF-UHFFFAOYSA-N 436.446 0.950 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 763532915 XGZSPQNSMFDDIS-SDADXPQNSA-N 449.508 0.429 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763569726 ANZCPVSABXPYTP-QGZVFWFLSA-N 442.428 0.323 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807403 BDQCKEBKDRFSGW-UHFFFAOYSA-N 448.432 0.656 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 763839063 YHPYSMNZGJUFIP-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764002166 JOYRIRZVOABORY-CQSZACIVSA-N 447.517 0.825 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)o1 764139482 UPJPERCGLCEAGR-UHFFFAOYSA-N 426.437 0.497 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c1 764241795 IWACUSNXYZSVSC-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764328739 JOFJVJNCGFQWSB-UHFFFAOYSA-N 434.465 0.645 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cc4ccccc4o3)CC2)cn1C 765817051 HAWDXNNNXFJBPT-UHFFFAOYSA-N 446.489 0.836 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1OC 768353640 UPPFUMZCVALXHV-UHFFFAOYSA-N 448.457 0.080 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)sc1Cl 771141922 BRGQEFFUTLAMFS-BYPYZUCNSA-N 440.750 0.411 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccn12 772883769 DOINAEXMNVXHEN-UHFFFAOYSA-N 449.876 0.469 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2CCN(C3CC3)CC2)cc1 775205156 WKKAOWJQFKJBTR-UHFFFAOYSA-N 437.566 0.820 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)nc1C 778424992 ITDQDTXKPDAXCG-UHFFFAOYSA-N 449.489 0.581 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 782120052 DXCQHSGPOZUWNH-UHFFFAOYSA-N 437.176 0.940 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1F 782145131 CWTAPTHOCCPVEM-NSHDSACASA-N 447.423 0.993 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CCS(=O)(=O)C1 783426585 NVESSJWRGHNHRY-AWEZNQCLSA-N 442.391 0.497 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cccc1N1CCOC1=O 785066480 BTUPFUOLRXVCCT-UHFFFAOYSA-N 436.428 0.928 50 20 ICGD CN(CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)OC(C)(C)C 803820255 MKOGUCQBJFBAQQ-HNNXBMFYSA-N 437.449 0.774 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)cnc1OCC1CC1 806787137 BFMVPBVFWADLHH-MRVPVSSYSA-N 435.300 0.332 50 20 ICGD C=C[C@](C)(O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 809933876 YPBZUFGEISZVJI-IBGZPJMESA-N 425.507 0.115 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc3cccnc23)cc1 810270427 WRXBAWIJFAQJEF-UHFFFAOYSA-N 441.469 0.933 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 810307786 JGTBRHCFMHVDPZ-UHFFFAOYSA-N 449.272 0.442 50 20 ICGD O=C(NNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 821134990 GUWOYXHZUPCFBG-LLVKDONJSA-N 429.451 0.757 50 20 ICGD COCCN(CC(=O)NNC(=O)c1ccccc1)c1c(O)nc(=O)n(CC(C)C)c1N 841524933 YFFDFAFTEHTOLM-UHFFFAOYSA-N 432.481 0.101 50 20 ICGD C[C@H](NC(=O)CCC(=O)N1CC[C@@H](B(O)O)C1)C(=O)c1ccc(Br)cc1 864231189 JYXNFZLNLRFZMK-WCQYABFASA-N 425.088 0.992 50 20 ICGD Cc1ccc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c(=O)n2c1 912985343 GUUHBBYHGYCNBA-UHFFFAOYSA-N 429.458 0.328 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H](C(C)C)N2CCOCC2)nc1 916254507 YIZBUEXZMZQMGX-INIZCTEOSA-N 428.559 0.751 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1116422448 BWPLUHYJXIQVMA-UHFFFAOYSA-N 428.478 0.381 50 20 ICGD O=C(NNS(=O)(=O)c1c(F)cccc1Br)N[C@H]1CCS(=O)(=O)C1 1319280092 IYEVGBALPUCQQT-ZETCQYMHSA-N 430.277 0.268 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 1328881319 RVJOVCLLXPHVRI-UHFFFAOYSA-N 443.482 0.701 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778741505 ALRBGYWIUHCERE-BBRMVZONSA-N 426.246 0.863 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230897 AKVQPHHEYVHEBZ-LZQZEXGQSA-N 435.396 0.689 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781929995 QKWZVROSXOSMEM-OAQYLSRUSA-N 446.215 0.108 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C(Cl)Cl 1782215378 VROOLYYYARAEMO-RDTXWAMCSA-N 429.109 0.298 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983973 XUZHCSWVGPXRAW-UVVBHOOISA-N 448.328 0.763 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)(C)C)C[C@@H]21 1787506645 KBMWNVUBDXJGOT-BTYIJUTOSA-N 447.536 0.507 50 20 ICGD Cc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787619865 JIXZKXIAEGNFSU-IEZWGBDMSA-N 428.319 0.643 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(F)(F)F)CC3)[C@H]2C1 1788218799 BWNAEPPXUINBGG-BPUTZDHNSA-N 440.227 0.302 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccccc3=O)[C@H]2C1 1788750388 GTPWOOHBYTWAGZ-WOYTXXSLSA-N 425.913 0.643 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1789863347 NTZMSORCJLTLFV-ZOFXXKQRSA-N 432.901 0.478 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)C1 1791237039 GOVZNXJNYHCJHU-BPXZUEPWSA-N 430.929 0.545 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794109251 CMAGADXMOZRIGH-IJPSMNBWSA-N 428.848 0.117 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1F)C2)c1ccc(B(O)O)cc1 1795732589 YQGDSGGJFXGPRB-FVCICTRLSA-N 447.659 0.071 50 20 ICGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1F 1795737747 PLUHYNFIQVDRKL-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1F)C2)c1cccc(B(O)O)c1 1795741359 WHQHIDNWEPTNGU-VPTLXERWSA-N 444.243 0.091 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1[nH]nc2ccncc12 1796213128 FCIPGKLJOUFYCN-XSPYEYLBSA-N 426.246 0.852 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnc2cc(C)nn2c1C 1796926249 LEFKIODEJONYEP-LOUJCGABSA-N 436.900 0.198 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1Cl)C2 1797751675 NNJBOHLRKUUAFY-DPIQGUFMSA-N 444.879 0.251 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc(Cl)cc2nn[nH]c12 1798616660 QPTYNSLOPGCHTC-WAYYCVMKSA-N 428.276 0.414 50 20 ICGD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)ccc1[N+](=O)[O-] 1799247955 GUXZZDXNVFOIIU-ZFHGCVPZSA-N 441.868 0.335 50 20 ICGD C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1800594593 LBLPYNBSXBUZLO-GJPCKUABSA-N 436.317 0.763 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cnccn1)C2 1800759649 ZCNSSSMHLPMYLE-BAYHKCFCSA-N 426.315 0.650 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800762055 MEAGRWGICKNHRR-OVZMXSCWSA-N 427.299 0.488 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1800976817 JHWNPKNPCSZIOY-XCCSTKFXSA-N 433.839 0.700 50 20 ICGD Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1805687402 MKDZUYYONZSMAT-XLIONFOSSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccncc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363245 BHBWKWKAZINYNK-OFNKIYASSA-N 444.300 0.719 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365689 YOIKUJMACLBOBG-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807522108 RDMNZIDDVMHKPY-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978808 SWESAKSTRHVQDH-IBGZPJMESA-N 428.338 0.784 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(F)(F)C(F)F)CC2)c1ccc(B(O)O)cc1 1815337997 ZMFIJLYDFSTXNK-SNVBAGLBSA-N 445.203 0.949 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cccn1 1815361908 UAGNNQABUVNVLX-WFASDCNBSA-N 439.306 0.506 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1815702897 DAOLBGHOIREWPO-NWDGAFQWSA-N 445.904 0.845 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819446336 OEQKGJSTYBUIBH-BEFAXECRSA-N 439.589 0.904 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1)n1cnnn1 1823013801 JUXDLQTWIPXPTC-FWWHASMVSA-N 432.279 0.993 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)C(C)(C)C)CC2 1826082801 CZQAWJJTCAWRRA-BZNIZROVSA-N 425.555 0.835 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)CCO2 1830413715 IYFOSTZIAVBRCN-NEYJZJCJSA-N 440.899 0.985 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1830543330 PZQACRLEQLFMPB-FZKQIMNGSA-N 442.310 0.888 50 20 ICGD CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549204 GZALJXWJTUVZCY-IFXJQAMLSA-N 447.916 0.164 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1832575910 ODZOOEOTGKNPFF-UZLBHIALSA-N 441.912 0.079 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833210466 RZQWPCXYHMQZSS-BZNIZROVSA-N 447.717 0.983 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1)[C@@H](O)CCl 1833312546 QYWGPLAHVHIUJZ-KNORYGFTSA-N 444.960 0.687 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1)c1cccc(B(O)O)c1 1834801020 HVGYGPCHFOMILM-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccon3)CC2)CC1 1835737133 NVIUKDXHNYKDSY-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836902164 PRTSTPGOYZWICJ-INIZCTEOSA-N 427.574 0.945 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531783 WTMNFELOMUUVFQ-IDXDDCQYSA-N 431.917 0.989 50 20 ICGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c1Cl 1838311327 RTLGDIMHHXONDB-HNNXBMFYSA-N 425.700 0.947 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839142477 QBHGUIUUTTVFIQ-LIRRHRJNSA-N 443.953 0.952 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839967351 JXLIUWQNQZUAJE-PBHICJAKSA-N 444.330 0.298 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033954 VOYQWGAEAAUVGR-PMUMKWKESA-N 448.358 0.531 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840034846 YYWAGQVMGZLBRH-BZNIZROVSA-N 432.271 0.020 50 20 ICGD CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149577 SYAUECTWOWARDE-OXQOHEQNSA-N 441.912 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1840153408 NWWGLIZRVTYWSA-TXPKVOOTSA-N 434.917 0.284 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840153666 XEJIBZOKCVLSHJ-GHHWKCCRSA-N 429.945 0.037 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155600 BEUITZNOVRFRSW-JTDSTZFVSA-N 433.933 0.001 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 1840185214 MIMTXVQVJYIYND-YADHBBJMSA-N 436.553 0.562 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233602 NOWXLFAQJLGZPH-GLJUWKHASA-N 446.342 0.143 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841338323 GAUMNAYEFHUSTC-ZWKOTPCHSA-N 442.321 0.553 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892526 RAYQIWTUHAQNOA-MKMNVTDBSA-N 443.410 0.627 50 20 ICGD Cc1nn2cc(CC(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)nc2s1 1846384240 ULXARWDYGHKYPC-UHFFFAOYSA-N 433.538 0.218 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)ccc12 1847559319 HSLDPJZWKRZTBV-OFQRWUPVSA-N 434.880 0.926 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)[C@@H]2C1 1847563286 IDWOCVAZPBXOFU-KARBZBNUSA-N 427.929 0.901 50 20 ICGD CCn1c(=O)n(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc21 10766819 PLDFGFQBIXZVCZ-UHFFFAOYSA-N 430.490 0.577 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 12666347 HXHUOYJOGDUJSI-UHFFFAOYSA-N 434.250 0.706 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 110886280 MUOXHKBTQINOBX-UHFFFAOYSA-N 443.485 0.907 50 20 ICGD CSCC[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1nnc2ccccn12 726085715 CWDJKEWRKVJCAR-LBPRGKRZSA-N 431.478 0.877 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C1CCN(c2ncccn2)CC1 728854054 KITGVHRSMVVKDQ-UHFFFAOYSA-N 429.458 0.809 50 20 ICGD CS(=O)(=O)CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 729157886 KKYWQGRHYSJMGZ-UHFFFAOYSA-N 448.592 0.015 50 20 ICGD O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 729484202 BBXIANMDBVOPGA-UHFFFAOYSA-N 441.937 0.840 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 733775154 ZFVOZLHZXVXJLT-SFHVURJKSA-N 446.423 0.861 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(OC)c1OC 735512438 MKDIMFXXUFHPDN-CYBMUJFWSA-N 432.437 0.195 50 20 ICGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 746271241 CQIJHXCRGWZPPU-UHFFFAOYSA-N 435.547 0.388 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 748383600 SOQKRKPGVYZVFG-UHFFFAOYSA-N 443.416 0.707 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 756068212 WZJPQNHMMGDFRS-MRVPVSSYSA-N 435.388 0.377 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756190994 WNZVKDYUATZFSR-BBRMVZONSA-N 425.445 0.784 50 20 ICGD O=C(COC(=O)c1cccnc1Br)NNC(=O)[C@@H]1COc2ccccc2O1 756249096 UXVCYWIZBKNBCF-ZDUSSCGKSA-N 436.218 0.988 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 756626393 OSTISSUFRNXGDD-UHFFFAOYSA-N 437.434 0.876 50 20 ICGD CCO[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 760223370 CWPWZMXENZABFD-KRWDZBQOSA-N 427.523 0.920 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CNC(=O)NC)cc2)cc1 761136044 RAHQSBDSSFIUBJ-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)cc1Cl 762743620 GEJQQSLNYZQKEG-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1 762854520 BYXDNEZGUBQAJC-KRWDZBQOSA-N 439.476 0.954 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763665383 HOEMYBXJWWDSSE-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 763665498 WVGDOKHWYWIPCZ-SFHVURJKSA-N 440.456 0.370 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1 763680439 PRQNPVLHUWDUCE-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 763684464 LTTFUKVISQQKRJ-UHFFFAOYSA-N 425.850 0.908 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OCC)cc1 763684510 MRXTWIKBCKGYSW-UHFFFAOYSA-N 428.445 1.000 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 763754282 OQUJXBHEHOEEGM-UHFFFAOYSA-N 433.490 0.403 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)nn2CCC#N)cc1 763871556 GFIYKACOZSUTHU-CQSZACIVSA-N 426.433 0.861 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 763996954 HIMPAYDCYZWKPE-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)cc1 764093245 PZAYPCKEIFBYDQ-UHFFFAOYSA-N 439.881 0.823 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 764135210 CMQYCFBEZNIBRZ-UHFFFAOYSA-N 427.461 0.524 50 20 ICGD Cc1ccnc(Oc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2C)c1 764231377 OVPMRQYJRZAWOR-CYBMUJFWSA-N 449.489 0.514 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)o1 764371287 JSOJHDHWTGORSJ-XQNSMLJCSA-N 447.473 0.801 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 764399958 OHUZGXCJBSXMJH-JTQLQIEISA-N 435.412 0.891 50 20 ICGD Cn1c(SCC(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc2ccccc21 764732415 KTFYWBBBGMDUQQ-UHFFFAOYSA-N 426.462 0.502 50 20 ICGD CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764817467 PYKHAASJTIOPLK-UHFFFAOYSA-N 427.421 0.467 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c2)CC1 765398977 QDFVLYDXKBOIIK-UHFFFAOYSA-N 441.510 0.117 50 20 ICGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 765750693 DWRMVDDENVWRAB-INIZCTEOSA-N 436.944 0.396 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1 772999584 RXEDXCVUYBJQFQ-QWRGUYRKSA-N 429.886 0.355 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 773411662 PNXMGHLJCNHNSL-STQMWFEESA-N 435.568 0.701 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H](C)O1 776102080 LBTIIRMLVNBCCB-HUUCEWRRSA-N 435.481 0.692 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 776246458 TYHQYOXKLSNNQR-LBPRGKRZSA-N 432.474 0.248 50 20 ICGD COc1cc(C(=O)CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 776973435 PPUMTNMYEOHYJO-GFCCVEGCSA-N 443.478 0.193 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1c[nH]c2ccccc12 780198449 RORZBGFWYSYRIF-ACJLOTCBSA-N 446.460 0.892 50 20 ICGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 782701503 GAMDFBWTFAOKPW-UHFFFAOYSA-N 432.864 0.884 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)sc2c1CCC2 783428088 SXATWAKSVDTPEE-QGZVFWFLSA-N 429.520 0.550 50 20 ICGD CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 783999508 PBZJYYDYGOHMOU-UHFFFAOYSA-N 429.477 0.267 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 790952827 WDVGJCQKPIAERH-UHFFFAOYSA-N 434.250 0.924 50 20 ICGD CN(C)N(C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)[C@@H]1CCS(=O)(=O)C1 792853067 CHOQTGSUWSNHRM-LLVKDONJSA-N 432.462 0.194 50 20 ICGD CCN(C[C@H](C)C#N)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800124676 KYZPWDMHDIGBSW-CQSZACIVSA-N 432.547 0.822 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CCCC2)c1 800520484 COWDQSUUKIYCHN-OAHLLOKOSA-N 442.559 0.972 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(OCC(F)(F)F)c1 815779873 AABZIVFPLQYKJB-LLVKDONJSA-N 433.339 0.679 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 863999136 OKKIWRVBMCYSLD-OAQYLSRUSA-N 426.429 0.689 50 20 ICGD O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 917314193 JDXOLLLSSYEKKS-OAHLLOKOSA-N 428.357 0.689 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NCC(F)(F)F)c2)C[C@@H](C)O1 918707007 BAAPLBXBPCSWLX-GHMZBOCLSA-N 438.428 0.991 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)c1ccc(-n2cnnn2)cc1 1318446721 ZARDCRQCMXURTL-INIZCTEOSA-N 428.478 0.599 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1320069673 BLTXVIWTUHWWON-SJCJKPOMSA-N 433.433 0.968 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1ccccc1Cl 1322883788 SMOSXMRLHWXAKS-UHFFFAOYSA-N 425.840 0.979 50 20 ICGD Cn1ccc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c21 1777967781 LEAAMEJPDZHFLW-DEOSSOPVSA-N 447.300 0.615 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c4nccc-4c3)CCO2)C1 1779030242 LRENPPAGGDFZBY-JOCHJYFZSA-N 449.471 0.270 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779206386 KFQZOYAJIVPGTO-SJCJKPOMSA-N 425.283 0.633 50 20 ICGD CC[S@@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779224911 PSPXUMUUJATKGW-IURTXMEQSA-N 444.598 0.032 50 20 ICGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1781233903 OKDSXCZENFZLOQ-QZTJIDSGSA-N 447.319 0.324 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331544 NAQPGRXUNWECHS-BXKDBHETSA-N 435.168 0.612 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785020249 CRSCWRIWGMAYPB-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD Cc1noc(C)c1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785361773 ZBQKGHQHNPLGJM-WDSOQIARSA-N 449.552 0.577 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccn1 1786986457 CKUBACGVIQCSIW-UCKNYWNBSA-N 437.305 0.158 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788532732 RPUJWCCXDMWMQS-BJDJZHNGSA-N 430.807 0.325 50 20 ICGD Cc1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610215 KLQQYRZZDOGIJZ-JVPBZIDWSA-N 438.488 0.296 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)n(C(C)C)n1 1794436123 YWBRVQKMXZLRKM-OQMKEHIESA-N 442.900 0.619 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586076 JMKZGVXDPUWYTL-YIDVYQOGSA-N 446.976 0.836 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2)c1cccc(B(O)O)c1 1795739721 FTSPPRWZWQNHMP-HBCWATKFSA-N 430.216 0.162 50 20 ICGD Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797750990 ZYGFWNMDWVKNGA-UPHUGPLXSA-N 437.500 0.439 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799796533 ILSKUJFQEIFXEW-CZAMWMTLSA-N 440.884 0.464 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(OC)nc1)C2 1800974137 MPENWSMBMMEZDS-RCJHGTSTSA-N 425.913 0.866 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358699 FWBFKEWTTGPAOW-CRWXNKLISA-N 426.857 0.649 50 20 ICGD O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)CCBr)CC3)C2)C(=O)N1 1806691282 ZQWLATKBMVLXEQ-UHFFFAOYSA-N 429.315 0.554 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192932 ZNRVKMQDLHFTIN-MDZRGWNJSA-N 435.601 0.532 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361264 HVZKWUYNUHCPJG-DYESRHJHSA-N 448.263 0.929 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807369708 SBYPLSMPYQRLAY-RXVVDRJESA-N 432.289 0.733 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cccn2c(O)nnc12 1808182099 BKFQOHJXVSJOPF-NUEKZKHPSA-N 444.879 0.749 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@@H]1c1cccnc1 1813069519 YVJMBKXJLTYNJF-BBTUJRGHSA-N 430.553 0.555 50 20 ICGD CC(C)O[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344249 PMMTXFKTHOVCGC-WFASDCNBSA-N 431.323 0.862 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCO2)[nH]n1)c1ccc(B(O)O)cc1 1817470208 LSOCDOWZEUXRHO-ROUUACIJSA-N 426.282 0.965 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401983 ZNNJFUCKENUYCM-DOTOQJQBSA-N 429.481 0.731 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792996 GGWJHKMKFHUSFO-ZUZCIYMTSA-N 446.533 0.774 50 20 ICGD COC(OC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824338180 MFAWQLXFQWRSNY-KRWDZBQOSA-N 433.509 0.537 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc[nH]n2)CC1 1831196860 XQVGTCFJMONSOC-IBGZPJMESA-N 439.520 0.884 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831989910 OXZMVGDFQWWGEF-GOSISDBHSA-N 449.342 0.960 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833134079 XFXGMKFDWCDGQE-XLIONFOSSA-N 425.913 0.643 50 20 ICGD CCn1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1834275010 QBLRUTZAQAIZAR-UHFFFAOYSA-N 447.584 0.461 50 20 ICGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCC1 1834798026 NHPLZOHEEUXYAE-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1834819201 KEJBYTQGQPUIOC-QGZVFWFLSA-N 429.267 0.495 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938425 UVFRQQRHZRMTER-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056892 UCHFDWWEFKHWEA-LPHOPBHVSA-N 426.901 0.119 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnccn3)CC2)CC1 1837410039 DXZYKGFLVOZFJP-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964682 OZPBZAGWSHJCCU-UGSOOPFHSA-N 445.310 0.873 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767350 CVGJQDIJPBIGJT-BONVTDFDSA-N 439.822 0.911 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1838929549 UJZFVYZKMCEAIL-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155508 VPMGBJSFCCHGKK-OALUTQOASA-N 446.331 0.901 50 20 ICGD COc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc(F)c1F 1839382150 FKJZUVKRFOZGCY-LIRRHRJNSA-N 448.850 0.643 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839389970 QHIRRMGOVLRQIV-WZDAXMPFSA-N 443.859 0.747 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840031266 KQDQZMFGXOIWGT-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)c1 1840036521 MXGHKTJXNGRGGF-DAYGRLMNSA-N 443.342 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCC4)C2)C1 1840152346 FZNBFKZNTZAVGH-UWJYYQICSA-N 438.908 0.945 50 20 ICGD CNc1nsnc1C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841051945 VLNXOJGSGIVQNV-SRZZPIQSSA-N 430.494 0.531 50 20 ICGD O=C(c1ccc(C(F)(F)F)nc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010952 ZARFYCQVPQKOOY-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1)NC(=O)NCc1ccccc1 1847896900 ZEHNNPXPUYQPFY-ROUUACIJSA-N 425.493 0.571 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1848324550 JUXJMKRXDJFGAR-IRXDYDNUSA-N 445.520 0.835 50 20 ICGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 27008625 JTSIPSZFMQAHOO-UHFFFAOYSA-N 430.424 0.851 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 728379379 LDWHISKOCWVCSG-SNVBAGLBSA-N 429.549 0.701 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc12 728509629 JQLMDYPKZYVUTO-GFCCVEGCSA-N 429.520 0.874 50 20 ICGD C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc2O1 729965076 SEGAHJYEXZUFKQ-SECBINFHSA-N 445.906 0.934 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)n(C)c2)C1 730161454 GCQLBPAQAWHHFV-LSDHHAIUSA-N 446.595 0.552 50 20 ICGD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 731214707 WUOYBMIWWDQZRF-APWZRJJASA-N 433.528 0.899 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 731834344 QOYZBTBHWKIPNV-UHFFFAOYSA-N 435.458 0.596 50 20 ICGD COC(=O)c1cc(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1[N+](=O)[O-] 732652925 WNYQQGULROXIMN-JTQLQIEISA-N 439.402 0.452 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734242103 SWQHLYUUDITZRZ-UHFFFAOYSA-N 447.489 0.593 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737779950 MXEZYWWVYSEZFY-UHFFFAOYSA-N 431.836 0.677 50 20 ICGD CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 740903455 OYDOHBBJIOYPOB-UHFFFAOYSA-N 429.462 0.552 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742242373 ZMJRBRMKMWTJQU-RKWGGURWSA-N 447.444 0.024 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 744563846 DSMXPPCMWATQTR-UHFFFAOYSA-N 431.408 0.781 50 20 ICGD CS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 745896194 WYXFNEACQAUYSG-LSDHHAIUSA-N 442.563 0.936 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)C)cc1 745904971 GBEIYKCMRXYIAZ-AWEZNQCLSA-N 428.511 0.534 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 746098004 DVTHPNZMSKVFIV-WNPFRXICSA-N 445.472 0.796 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(-n2cnnn2)cc1 749161737 PQDQADXSGJLUJY-CQSZACIVSA-N 447.502 0.338 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 750955869 REAGZEJZKQYLLE-UHFFFAOYSA-N 432.433 0.498 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 755359018 JGVPASGKDGUEIV-ZDUSSCGKSA-N 444.535 0.449 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 755814059 FQXGWJCWVACLQY-GFCCVEGCSA-N 442.505 0.571 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1NS(C)(=O)=O 756515886 HWXOTIABYQMQNC-UHFFFAOYSA-N 430.450 0.809 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756658470 JTSWJCOZPHPDDA-CYBMUJFWSA-N 434.428 0.501 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)NNC(=O)[C@@H]1COCCO1 756671854 JRHYMQYODSBKTM-AWEZNQCLSA-N 430.483 0.340 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)C(=O)N1 756815262 JVTCFXOXEYLKGC-AWEZNQCLSA-N 434.416 0.334 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)c1cnn[nH]1 759826249 WXKXVPJHYRBPDN-QFIPXVFZSA-N 445.439 0.745 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2nc(C)cs2)c1 763509971 XLVFUCLOCGZXPU-UHFFFAOYSA-N 439.519 0.882 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763661368 APLZIROMNHVJBS-UHFFFAOYSA-N 427.417 0.051 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763716155 AEKYSPSLWJQGLX-UHFFFAOYSA-N 431.470 0.744 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 763803689 MMVVXVGHBUIZOD-UHFFFAOYSA-N 443.372 0.716 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763820669 OZIVFDVDWLGMLU-UHFFFAOYSA-N 431.474 0.022 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 763993297 NJGFSXYIMUYNDP-XQNSMLJCSA-N 446.489 0.238 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 764001657 BSBSEOVEEYHWKL-GFCCVEGCSA-N 442.925 0.851 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764083335 QNNQFNLFMNMYMV-AWEZNQCLSA-N 436.534 0.944 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)n[nH]1 764106287 HFFYXJFBCUZNTF-QGZVFWFLSA-N 440.460 0.286 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 764236327 DRTIYIAYRPQOMA-UHFFFAOYSA-N 440.847 0.548 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 764325279 HTZVRXJSOYALQM-UHFFFAOYSA-N 425.243 0.211 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c2ccccc2O1 764343059 MUUBHVFNNKQXKX-SFHVURJKSA-N 449.423 0.601 50 20 ICGD Cn1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2c1=O 765739383 VPBAHSULGALKQN-UHFFFAOYSA-N 448.483 0.153 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 767192502 WJDOSUNHVSFMKM-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 767450848 XKOUWIQCLLHGFT-HNNXBMFYSA-N 432.433 0.498 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 767827384 IYHDBJLKXIUZQQ-OAHLLOKOSA-N 431.449 0.975 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 767852324 WVFCBGGKHQYJER-UHFFFAOYSA-N 447.354 0.523 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)(N2CCOCC2)C1 767895097 CUHPOSQRJHEIRV-BPVAQJAMSA-N 434.493 0.427 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1coc(C2CCOCC2)n1 768070843 HEDNNYJGSIMIJH-UHFFFAOYSA-N 441.488 0.788 50 20 ICGD CC(C)[C@@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 771100929 XRIPOICVDCEWPG-LJQANCHMSA-N 427.523 0.195 50 20 ICGD NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 777790086 NGKDHXYIWLNDIV-CRAIPNDOSA-N 446.504 0.695 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 778443582 UVPJLRFFMWUQOR-ZDUSSCGKSA-N 434.449 0.483 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778968353 ZOHOGMIUYYQSBE-UHFFFAOYSA-N 444.435 0.918 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 784004799 KKVKOMJUQOKNTA-UHFFFAOYSA-N 429.458 0.156 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)c1 786239647 QOOGHRUNKQAQJK-INIZCTEOSA-N 448.863 0.792 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1OC 796991900 KNQOYVYOYIRELN-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cn1 815570185 VDTSUAZZPXHZQY-UHFFFAOYSA-N 446.467 0.952 50 20 ICGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155906 CALITUPPCVWOHQ-UHFFFAOYSA-N 444.249 0.616 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 916518913 NVFYOFPEHWTFOL-UHFFFAOYSA-N 429.525 0.437 50 20 ICGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C1 920824687 ALUUEPGNCALXHN-GJZGRUSLSA-N 436.534 0.737 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)NCCc1cccs1 920860300 RNMZCCJIARQDET-UHFFFAOYSA-N 441.535 0.294 50 20 ICGD CC(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 921179294 AZQDFBLMHVFQJQ-GOSISDBHSA-N 427.413 0.467 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)n[nH]1 1116726122 CBLGJIHMOZXHEU-UHFFFAOYSA-N 427.513 0.724 50 20 ICGD COc1cc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1OCCO 1326432453 QLZBZFLIHLOALT-UHFFFAOYSA-N 444.492 0.603 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1347669528 YODQPVBAVRMKOB-ZDUSSCGKSA-N 432.543 0.931 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844885 KRZLOBBFKOLYDW-MEDUHNTESA-N 429.319 0.180 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529038 WVOGRLLQMDOIIO-QLJPJBMISA-N 427.255 0.402 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)c[nH]1 1782044432 LSNLMZJRLDRNMH-WIYYLYMNSA-N 429.257 0.275 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1783935515 UVPFXRNRVXQYNK-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1c[nH]c2nccc-2c1 1787330509 GODUIPMQVRPFBS-VDGAXYAQSA-N 448.288 0.101 50 20 ICGD CC(C)CNC(=O)C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143851 OZFHTGJTEXHDIC-UHFFFAOYSA-N 437.305 0.886 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660696 GVHYQURHIDQWTJ-FEHPVLGDSA-N 431.917 0.749 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4snnc4c3)C[C@@H]21 1791255361 OMOXDKPQOHMQCG-NHULGOKLSA-N 439.925 0.933 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1791256626 DPMHFPKQQVLBSE-HNKHHVNMSA-N 426.901 0.513 50 20 ICGD COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796188598 YPDIWNWTVJFFJD-ACDBMABISA-N 433.273 0.812 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796344273 YLNXPPAZXMQFGD-MWGHHZFTSA-N 429.271 0.122 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797549732 PJSXHFQNJQIHBD-HGKCTWBKSA-N 431.565 0.985 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)CC1)C2)NC(=O)NCc1ccccc1 1799094752 IPOAGQWGVOWRQU-OPVJXMOQSA-N 443.548 0.722 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347189 MPVWNGPWJWUYAH-LFSVMHDDSA-N 438.294 0.791 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334519 NBYLYDDGHDPPMO-NCGDYJRZSA-N 446.454 0.986 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800639942 QUMNLWKPYIPEED-HZZBMVKVSA-N 445.383 0.776 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccs1 1801291885 KRPIXSDWGGRJGN-JNNRSPCRSA-N 428.319 0.435 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(O)n1 1805670184 GEJVOQJQCVOADP-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360414 KOCUELFIZDMZDU-HNAYVOBHSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2(F)CCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367808 MORJCONRXLPOKK-IEBWSBKVSA-N 425.269 0.973 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)n2)[C@@H]1c1cccnc1 1808304041 PFDRMCDGAYYIOX-XEZPLFJOSA-N 435.868 0.856 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnn4c3CCC4)CC2)C1 1809974029 NOZCDSYJQKUKRW-UHFFFAOYSA-N 436.321 0.668 50 20 ICGD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811074020 MLSZTWMNCJXXCB-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)c1cccc(B(O)O)c1 1815361665 MWOWMRUEHARWRB-RCBQFDQVSA-N 443.334 0.600 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819428417 DDRSHXQKIZLPLU-ZNMIVQPWSA-N 444.872 0.496 50 20 ICGD O=C(CCCc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727056 ZWQGJYLQCIMZOX-YLJYHZDGSA-N 425.913 0.460 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCc2ncc[nH]2)CC1 1832070437 QQPHZCZHZWVARM-FQEVSTJZSA-N 438.337 0.956 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)CN1 1833118522 CMIDHHNJVOJDNL-AWEZNQCLSA-N 443.386 0.869 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1833263809 UBKKHQWWZLCGOO-CQSZACIVSA-N 441.374 0.881 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971594 SOTNKCOKCNUWQL-GUYCJALGSA-N 427.299 0.578 50 20 ICGD Cc1cncc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c1 1834229366 QXHZLJDXUOODTD-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597310 COLYKNPVULHZCL-KBXCAEBGSA-N 443.294 0.883 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1835025981 GSUAFGJBECUYOV-XLIONFOSSA-N 426.897 0.294 50 20 ICGD O=C(c1cnn2ccncc12)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717524 XPNHDXYCSFZQPD-GOSISDBHSA-N 435.912 0.941 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccon3)CC2)CC1 1837560697 DJDCLDHKHDNIEV-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD O=C(c1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837846008 AQORZBQVZOHMMZ-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838493880 HHEIWOSZYFUWNW-QRWLVFNGSA-N 449.895 0.141 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n[nH]1 1838656146 VXVGPRLYRWODNQ-PXAZEXFGSA-N 429.315 0.819 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)ccn1 1838720562 SRIKNUPDVOAZCK-KXBFYZLASA-N 443.859 0.863 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1839896084 KDELHMKXYUFQNT-MRXNPFEDSA-N 433.299 0.181 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840149474 QEXMFJLLYTTYFO-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)c3ccccn3)C2)C1 1840156827 VHJORNHXCVBRKI-GQIGUUNPSA-N 425.913 0.895 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186869 WURMJIMAZQJGDM-INIZCTEOSA-N 437.255 0.656 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840493128 ATPPNYAWLLBJSB-MRRJBJDNSA-N 447.305 0.899 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1 1840904698 OVJYSDAWRDBCCE-YLJYHZDGSA-N 441.887 0.716 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCn2c(=O)oc3ccccc32)C1 1841987464 ASQWJVAVPHGXDJ-UHFFFAOYSA-N 449.272 0.182 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015218 UPOJMUDHAKBNDO-DOTOQJQBSA-N 428.294 0.163 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843216699 NAVOUACULOZAHL-HNNXBMFYSA-N 429.926 0.697 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844265216 GSXDXRIGOCDVAN-GJZGRUSLSA-N 443.504 0.482 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845231778 HLMNWVAYNMBODE-KBPBESRZSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc3cccnc3nc1O)C2 1846385770 UAVMPGHQZKKOMD-UHFFFAOYSA-N 426.477 0.525 50 20 ICGD COc1ccc(CNC(=O)CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)cc1 1847563267 NDAWQSWPCOJLEO-OKZBNKHCSA-N 437.924 0.893 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)C[C@H]1CO2 1847565791 YDYAEOWFCJJGGG-SLARRSDRSA-N 443.928 0.566 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 16146030 CSMRTZXLYHTELM-LLVKDONJSA-N 438.531 0.689 50 20 ICGD CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 585656945 OOAPJTMGJCNRAW-UHFFFAOYSA-N 427.465 0.136 50 20 ICGD COc1ccc(OC)c(CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725871808 GZDPGOVJPSSOQZ-UHFFFAOYSA-N 445.476 0.585 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725873994 UMLLCSAQUDHXCZ-UHFFFAOYSA-N 433.490 0.523 50 20 ICGD COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728381204 SVLLPZFUHBNDBB-GFCCVEGCSA-N 439.519 0.259 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 729407921 KHEXUGJZNUKZSO-HUCQLPIZSA-N 437.518 0.893 50 20 ICGD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)c1 730750967 ZXVCLWKJUJWPOW-CQSZACIVSA-N 427.417 0.370 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 731849130 RWJAMHVNGQWDMJ-HNNXBMFYSA-N 438.550 0.778 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3ccnc(N(C)C)n3)CC2)cc1 740104251 GQIDMIIQHBVRDU-UHFFFAOYSA-N 433.538 0.301 50 20 ICGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)c3c[nH]c4ccccc34)CC2)cn1 741277128 MQZYAZNMMNQMNN-UHFFFAOYSA-N 445.505 0.699 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)cc(OC)c1OC 741741968 CQTMJMWYBKXFAK-UHFFFAOYSA-N 442.432 0.673 50 20 ICGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 742036965 RYLVCFASFKZXLA-VIFPVBQESA-N 427.914 0.978 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(Cl)c1 743582740 IDJWEMHFIRZXHU-UHFFFAOYSA-N 432.934 0.561 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)c1 744892820 IYJSDFHMFOTIAR-UHFFFAOYSA-N 438.368 0.102 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1 744904233 JFWLEHVQXQNAMV-UHFFFAOYSA-N 447.407 0.947 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)o1 746397231 QEKDZOQPMMLKDA-UHFFFAOYSA-N 430.465 0.085 50 20 ICGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746753800 JNYJDVVDIOMNST-CYBMUJFWSA-N 449.533 0.623 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 753016452 IMYDGEMDWKWSAQ-UHFFFAOYSA-N 435.462 0.307 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 756476375 TZOWYPPSMGGZDY-UHFFFAOYSA-N 448.871 0.006 50 20 ICGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)C(=O)Nc1ccccn1 758824225 XAMBBHMPIMTTPC-UHFFFAOYSA-N 445.233 0.340 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 759680271 MWLNIZONKCZRBT-SECBINFHSA-N 441.325 0.592 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)Cc2ccccn2)cc1C 760259989 MZHQJNLTOHQVDD-QGZVFWFLSA-N 447.517 0.001 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 762860875 MLMMAHFVIFSMNJ-HNNXBMFYSA-N 440.460 0.790 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763573692 UKCHRWXZJAGGNW-INIZCTEOSA-N 429.385 0.164 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C 763662869 LDJWUHVRPPHZQG-UHFFFAOYSA-N 443.460 0.400 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 763681009 IVWHIHAPVSXZCI-UHFFFAOYSA-N 440.456 0.878 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1Cl 763681357 KTGXQDJIRYCHGH-UHFFFAOYSA-N 429.820 0.736 50 20 ICGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763790614 LSXMVRSVEKJDHX-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 764296986 KWOPVVYKESATIF-UHFFFAOYSA-N 441.492 0.932 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 764380310 VDWACCGYHXRITK-UHFFFAOYSA-N 449.414 0.984 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 764399912 NLOOEMFFTFKCRU-ZDUSSCGKSA-N 427.417 0.883 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCCCC2 764430074 RROZEFIYAFVQSC-GFCCVEGCSA-N 439.490 0.695 50 20 ICGD COc1nccnc1NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 766264669 OMCDHDVKZVVARI-MRXNPFEDSA-N 440.460 0.735 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 766757499 IOYXNEFQFJKSJM-UHFFFAOYSA-N 432.481 0.387 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 771226375 HVRVBTIGEHQPIS-NRFANRHFSA-N 444.419 0.828 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc(Br)cn3ccnc23)cn1 771735826 FFKMJBJBEJXGIE-UHFFFAOYSA-N 440.283 0.894 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccccc2F)s1 771947663 NUMLDZFFXFFKFO-UHFFFAOYSA-N 430.483 0.883 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 773082358 VIEFXZWJBLQWSF-NRFANRHFSA-N 438.444 0.577 50 20 ICGD COc1cccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1F 782896410 IBWUJYDLPYZFRM-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 784001996 HPABOZPVSVVAJQ-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD Cc1nn(C)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 784231170 XKWLSLSYECATBV-UHFFFAOYSA-N 449.537 0.055 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 784842189 IYOHBDATAASFJM-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1 790952608 SDBYEQLWROYQOI-ZDUSSCGKSA-N 431.449 0.488 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 792819772 JXUQDASBDRGXPO-IBGZPJMESA-N 434.518 0.850 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cnn(C)c1 795956792 GWPUZZKRRHOTBZ-HNNXBMFYSA-N 434.453 0.499 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cc([N+](=O)[O-])ccc1Br 800617329 DYLMOBAGNASGJO-OXHZDVMGSA-N 439.222 0.963 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(S(=O)(=O)NC)CC3)n[nH]2)cc1 802937165 PXRIUDBGQKIUJB-UHFFFAOYSA-N 434.522 0.576 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc3nccnc3c2Br)CCS(=O)(=O)C1 807001108 PRGGVYKUXIAWSX-OAHLLOKOSA-N 442.295 0.529 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 807235405 PXRVJWSISDCCMS-VIFPVBQESA-N 442.885 0.185 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 814835372 PIWYGOQCOOAIRM-CYBMUJFWSA-N 449.514 0.661 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 816877431 UBSPHYWPRWGGAC-QAEAHILHSA-N 445.443 0.933 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 825649475 UJDKLKBYQXUPPX-UHFFFAOYSA-N 426.520 0.722 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)CCSc3ccc(F)cc3)nc2n(C)c1=O 914353821 JUJHSXFBOPRZPO-UHFFFAOYSA-N 431.449 0.715 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C 916409897 NCHIWYWFRCFNJD-QGOAFFKASA-N 427.505 0.608 50 20 ICGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 918210412 VDWQFWASCKZGSW-DYVFJYSZSA-N 434.518 0.433 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(C)(=O)=O 919399709 BVRNGJRUXCZLNJ-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1ccccn1 1779034986 YTRJHOFNNRUBRY-NYHFZMIOSA-N 438.488 0.327 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1779364760 ZARDUKMCHBYCIV-FZKQIMNGSA-N 433.839 0.941 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374788 FDYDHYQHBBDJCO-JPEVHGAISA-N 445.520 0.428 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781466057 YUNBPKSQDFJTFH-SPYBWZPUSA-N 426.901 0.228 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1783533818 JUEVPEQKCALNMT-PXAZEXFGSA-N 427.299 0.893 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1783536983 MYWNKRCBABXZSB-YVEFUNNKSA-N 427.299 0.893 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1783936502 INEBUCYLPYXKAL-HSZRJFAPSA-N 444.532 0.367 50 20 ICGD Cn1ncc(Br)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090730 MGCGKIGTJOMMMJ-DJIHRAIXSA-N 449.733 0.376 50 20 ICGD CC(=O)Nc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1788188239 TWXFYVXPZXOASZ-KANFNMMFSA-N 437.924 0.767 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2[nH]ccc2n1 1788317671 VELMUJQKYMESOK-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]3C2)CC1 1789868145 PFYDWPXBTFVFLE-FPXQBCRKSA-N 435.396 0.450 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1789872803 ZSTAMONQPFTJAQ-PAKFGRKTSA-N 447.319 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21 1791290635 FPKGDCSZZXKVBF-IHRRRGAJSA-N 445.358 0.267 50 20 ICGD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1O 1792810644 MATOUDLCIWRGGZ-BJWYYQGGSA-N 432.521 0.955 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1792872250 TZIFHNUNPPWHRF-HPCHECBXSA-N 437.356 0.184 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C(F)(F)F 1794276026 KZKDVBTUEMWHIC-LYIQGSDWSA-N 438.834 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc[nH]c2c1 1797410693 QPFRLFINSNGJGL-YVWYUNDQSA-N 428.493 0.139 50 20 ICGD O=C(Cc1ccc(Br)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799030121 DXWSAVLNHHTBLR-OQMKEHIESA-N 446.729 0.576 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799273769 HAMCXZZQFVRVRO-DJUFWWRVSA-N 444.381 0.140 50 20 ICGD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(C#N)c1 1800031936 AJMUFWFMNCRIAL-WKCHPHFGSA-N 447.300 0.741 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ncccc12)c1cccc(B(O)O)c1 1800998269 BYHMRHRXTWZKOC-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805532496 MTCCIBDZSYQLEH-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD COCC1(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)CC1 1805995297 FIZOIUOSVYJAIM-UHFFFAOYSA-N 429.521 0.957 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806079160 CSVFCDZUQXBWTN-RCBQFDQVSA-N 434.859 0.876 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980177 OGVNEHAGXWSALL-UHFFFAOYSA-N 442.321 0.721 50 20 ICGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1812716791 UCYQYCWVQHMGTI-HOCLYGCPSA-N 433.336 0.178 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813068303 REKLZHDEFKMPCA-SLGAXEFGSA-N 441.912 0.957 50 20 ICGD COc1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816160635 KYOAUBGDVMGNFQ-AWEZNQCLSA-N 444.496 0.887 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818133003 VDKZRAKDZGELSZ-KRWDZBQOSA-N 441.297 0.168 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)[nH]n1 1822416091 NRXKKCCNSOQLBC-CYBMUJFWSA-N 446.516 0.108 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825709044 NEXCPVUUWYCLIB-IBGZPJMESA-N 438.293 0.409 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)nn1C 1825894525 GJWVGPMGGXUHDF-NRFANRHFSA-N 438.337 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1828924675 XMXOBEKEUJKJFT-CRAIPNDOSA-N 442.520 0.055 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 1828925423 LBUBFVMPBRTTCE-QGZVFWFLSA-N 425.493 0.955 50 20 ICGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CCC1=O 1830357983 JJCVRJQBOBVIJX-LJQANCHMSA-N 428.917 0.316 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738671 RUBVJZUVTAEEGQ-XLIONFOSSA-N 439.896 0.315 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738775 SJODFSKTTPSXCI-FXAWDEMLSA-N 426.897 0.381 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1831460262 TVMGYIORKNZPPR-KRWDZBQOSA-N 436.553 0.932 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1831650212 FPONVVDUYXPMAJ-ZRGWGRIASA-N 432.949 0.558 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1834822413 MEFJITMJYITSJB-GOSISDBHSA-N 432.359 0.714 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1834823801 LHKBKZUNANOLPP-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(C)C 1837215794 HSEFJOSPJFSYJY-AEFFLSMTSA-N 449.342 0.816 50 20 ICGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1)C(=O)O 1837886604 OIGCJBSVOSKCJP-JKSUJKDBSA-N 433.933 0.302 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)CC1 1838082880 RQKLBFXDYALTDX-LJQANCHMSA-N 446.951 0.684 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838932502 KELRZTKIDADFFU-FXAWDEMLSA-N 442.896 0.374 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839412300 PIOCWYGGZGSQFG-CWTRNNRKSA-N 448.850 0.994 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839513512 NEAREQIDMUOKNP-LIRRHRJNSA-N 438.843 0.940 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCCCC(=O)OC)CCO2)C1 1840236826 WZBITFDSAALBIE-OXQOHEQNSA-N 448.944 0.820 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840498102 QFZNTCRXCIVGSN-RDJZCZTQSA-N 446.273 0.477 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840639143 CCURQGXNKODIGF-KXBFYZLASA-N 430.860 0.504 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1F 1840681224 QGHHDDURZVDPGC-BEFAXECRSA-N 430.860 0.504 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011678 FLRVXZVCXYUEJN-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc3ccccc3n1)C2 1844264078 BUCXHTZFVIEPNJ-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD CCc1cc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n(C)n1 1844495708 NUSCIWAAZDUUMA-OEAKJJBVSA-N 425.493 0.934 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 726281378 PFBDRYCBGYHTNT-UHFFFAOYSA-N 434.474 0.885 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c2ccccc2c1=O 726523724 VFHDCSAQMGIVGM-GFCCVEGCSA-N 440.460 0.431 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)Cn2ccc3ccccc32)c1 729667703 WDCCGRCXWQTPNS-UHFFFAOYSA-N 436.515 0.901 50 20 ICGD COC1CCN(C(C)(C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 730821167 NLLCKOIKXPYYIV-UHFFFAOYSA-N 440.570 0.813 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731761523 QAVJIWOCMSEQKX-ZDUSSCGKSA-N 430.502 0.432 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSCc2ccncc2)CC1 735116894 KFMQNESERFILDR-UHFFFAOYSA-N 436.563 0.789 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 737766911 VSPCJCVRDPINJZ-UHFFFAOYSA-N 436.446 0.750 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3ncnc4ccsc34)CC2)n1 741795345 ZEALCEKVMPKFTN-UHFFFAOYSA-N 431.547 0.968 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 744457835 XGJLPSWWGRJVNC-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC1CCCC1 749951727 OIWNAGBQSMVCST-MRXNPFEDSA-N 445.563 0.496 50 20 ICGD CCc1c(C(=O)NNc2ccc(OC)cc2[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C 754079362 GOZQBWFOHKGAIP-UHFFFAOYSA-N 428.405 0.868 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)COc1ccccc1O 755292371 AVLUADDAUNDSGB-CYBMUJFWSA-N 436.465 0.434 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 755775591 CDEPHFPJJXRUFJ-SECBINFHSA-N 437.450 0.227 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 756093716 IDKGMEYVLRTZTG-RPLLJCPNSA-N 428.445 0.212 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1I 756871494 MINAVBASKAOQNL-ZCFIWIBFSA-N 444.226 0.521 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccc(-c2ccccc2)cc1 758043100 FIYWUPWCRWDOSW-ZDUSSCGKSA-N 442.501 0.941 50 20 ICGD O=C(CNC(=O)c1cccnc1)NN=C1C(=O)Nc2c(I)cccc21 763204768 PYWORKHUPCFGHW-UHFFFAOYSA-N 449.208 0.889 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c(F)cc1F 763662194 FZFUBNWOEHQIAG-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763680758 QIQYBCSJIYWPML-UHFFFAOYSA-N 427.385 0.533 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1-n1cnnn1 763735219 NNEKIKGASJOUPC-UHFFFAOYSA-N 439.476 0.973 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763872785 OSWAUZBFWLBITP-ZDUSSCGKSA-N 445.451 0.879 50 20 ICGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 764143054 TWNNNULXYAZMBM-UHFFFAOYSA-N 435.506 0.823 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1 764334543 GYAZYTLBSNAVJC-INIZCTEOSA-N 430.461 0.740 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CC[C@@H](C)C2 764426400 ULFHCYVPPQAEGN-ZYHUDNBSSA-N 439.490 0.551 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(I)ccc1C 773495988 IRVABFYFSIHYJU-SNVBAGLBSA-N 449.245 0.737 50 20 ICGD O=C(NNc1ccc(-n2cccn2)nn1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 783433357 RBEMVPZHXKFKMV-UHFFFAOYSA-N 446.427 0.750 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c2ccccc2c1=O 784293880 ZPRDMBQVFSBJSC-WBVHZDCISA-N 439.472 0.136 50 20 ICGD Cc1csc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1I 786706926 HIZHUKRSODPQCQ-SSDOTTSWSA-N 428.273 0.857 50 20 ICGD Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 790698189 TXBXGGGLZCRZJX-OAHLLOKOSA-N 429.502 0.918 50 20 ICGD Cc1cccnc1NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 792376244 SAURYQMNXJZYLH-QGZVFWFLSA-N 425.445 0.486 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797422611 RWVAPQBPTPMEBI-LLVKDONJSA-N 432.495 0.738 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 801109378 LCHQRIPJKHPQBG-LJQANCHMSA-N 449.467 0.557 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2[nH]nnc2-c2ccccc2)CC1 801621527 OUGDVCYKAVNPBG-UHFFFAOYSA-N 442.505 0.560 50 20 ICGD COc1cc(NC(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c(OC)cc1Cl 803397632 YTXWIVNIIHMBMW-UHFFFAOYSA-N 432.846 0.054 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 804867989 RASHYANHFUFZTD-LBPRGKRZSA-N 442.416 0.227 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 805833777 AGLCSKWVSBHDII-CYBMUJFWSA-N 447.539 0.240 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1COCCN1CC(F)(F)F 806280981 JZCYLHVRQPJPSK-QGZVFWFLSA-N 443.470 0.609 50 20 ICGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 806978529 FLEKQOMWAFORLA-UHFFFAOYSA-N 426.477 0.691 50 20 ICGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 807379816 FEWIBIDMHHGQHG-GOSISDBHSA-N 440.863 0.234 50 20 ICGD CCN1CCN(c2cccc(NC(=O)C(=O)NNc3ccc(-n4ccnc4)nn3)c2)CC1 807428328 ADZPABWNAXNTOH-UHFFFAOYSA-N 435.492 0.886 50 20 ICGD CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 808775926 NUTXUHOBNMWEDB-OAHLLOKOSA-N 435.550 0.701 50 20 ICGD CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814767179 WPBYKPBZGVOHRT-ILXRZTDVSA-N 438.550 0.531 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 815608639 ITDCQCPOOFXQOR-UHFFFAOYSA-N 436.375 0.459 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2cccc(OC)c2)cc1 825811000 WAQQBTQRSKUGKT-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD Cc1ccc2ncc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n2c1 912873857 UJBNUYCZXDYYHZ-UHFFFAOYSA-N 425.357 0.529 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 919472362 CFCFLYQHSQLFBT-MRXNPFEDSA-N 425.507 0.894 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccnn2C[C@@H]2CCOC2)c1 1325802456 DDSNZTZBZHPLQD-ZDUSSCGKSA-N 436.494 0.636 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2)[C@@H](F)Cl 1778026162 NHKBRTIPNQVBRR-FRFSOERESA-N 439.937 0.460 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057999 MDOFFEDJABBOMP-FQEVSTJZSA-N 433.896 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccc(Cl)n1)CCO2 1783936215 ISUKTGGRJPMJPU-FQEVSTJZSA-N 437.928 0.480 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937435 MAQKLQWSILEKCQ-NRFANRHFSA-N 436.484 0.651 50 20 ICGD Cc1ccsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785912984 WCYPMNMZEDMOPY-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258223 IMGZURGZMRKZHO-WSMBLCCSSA-N 437.928 0.627 50 20 ICGD Cn1cc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787746255 BOVVJXWUUGBGFN-IWEFOYFVSA-N 444.467 0.070 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1788764685 XRHNRPMQHCJNKX-XIRDDKMYSA-N 436.585 0.946 50 20 ICGD Cn1cnc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(=O)NN)cc3)CCC2)n1 1789521280 RXGZEMKNKAXUAE-UHFFFAOYSA-N 434.460 0.875 50 20 ICGD O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791710934 VATPBHSSHPYKCQ-CFMVVWHZSA-N 430.274 1.000 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)C1 1793102266 KMMQSRLZSULMNE-JAQSECSASA-N 428.294 0.208 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)n1ccccc1=O 1795115656 FDIMROCMCLVQGK-VWPFQQQWSA-N 426.311 0.784 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737333 SNZDWGSEGKHZAA-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398644 CIUGONCBYNPDCR-NZBFACKJSA-N 425.327 0.324 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc2ccncc12 1796659490 VFNZGYQAIYJFHU-CLLJXQQHSA-N 434.460 0.522 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 1796893744 PRHXTBOKCYEMIX-WPPMCKGSSA-N 428.493 0.285 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccccc2n1)c1cccc(B(O)O)c1 1797285115 HIQAMJYKUJZIBM-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C)n1C 1797751564 HONFHFJVSJYZTA-CCWDJLKJSA-N 440.504 0.157 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799268035 IQQVYPFQPPFACE-JRBZFYFNSA-N 447.960 0.869 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800760088 ZVJGLGOQFIEEGE-JONQDZQNSA-N 443.386 0.139 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1800763152 QGVGKZWSFXJPSI-SMTWKSNJSA-N 425.327 0.888 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700896 PXLOKIHGGPLWHP-MRXNPFEDSA-N 434.002 0.965 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372561 GIZWIMBLABKQMQ-AYZHRIAMSA-N 449.341 0.956 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)O)[C@@H]1c1cccnc1 1808417156 VDGBCDYZCZHXTO-GTPXHXMWSA-N 426.477 0.602 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3[nH]nc4ccncc34)CC2)C1 1809966891 MNRKDCLOAOSFNX-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(F)c[nH]1 1812912868 FGRJJSFDJNGABL-JXFKEZNVSA-N 436.252 0.862 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335766 PRJLYMLFMGKRAZ-WFASDCNBSA-N 429.307 0.640 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(F)(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348739 XRFBGECZKLEYII-JTQLQIEISA-N 429.641 0.880 50 20 ICGD O=C(CCc1ncc[nH]1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361878 SZFXTOJATNOHJT-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CCC(O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817474240 BJMABDVLOWFZOO-GXOAENINSA-N 440.309 0.947 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC1(O)CCC1)CC2 1819801093 GHMLGDLMWKHOCO-NSHDSACASA-N 444.517 0.673 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822373155 WCVQSCRRBGVORF-CMPLNLGQSA-N 435.872 0.858 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822431843 CUCHIOVPMWWYGE-IRXDYDNUSA-N 446.338 0.509 50 20 ICGD Cn1ccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826086961 XMALRHYECODYHL-GOSISDBHSA-N 439.520 0.966 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2 1826089783 ODGAMYTZVSSHHZ-MGPQQGTHSA-N 437.566 0.979 50 20 ICGD Nc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)cs1 1827051333 SEILCNSXDZNXDF-SFHVURJKSA-N 442.350 0.952 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830332409 JVAGRSMMSWIOAS-IOASZLSFSA-N 438.294 0.048 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723886 SRKKCKHUYZFTKV-QFBILLFUSA-N 430.860 0.261 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731224 ICCJWKMZQBSTGI-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)co1 1830731728 OSQNPQYKWDSXKL-DNVCBOLYSA-N 444.988 0.495 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1831646571 LFQXDVVERRCAHH-LIRRHRJNSA-N 436.900 0.602 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1831651002 POMFJXITRAKGQV-CFVMTHIKSA-N 431.375 0.982 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc1 1832987491 QFPOMVFFLZAKDK-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1833262262 LPCLOWHBKAPAJA-CYBMUJFWSA-N 431.375 0.677 50 20 ICGD COc1nn(C)cc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833307852 AWKRWDVXFRQIQX-INIZCTEOSA-N 427.933 0.214 50 20 ICGD CC(C)=CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939155 GXPFPTPAXWIMHY-JOCHJYFZSA-N 430.310 0.183 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836045855 UCKJYWSJXAJARM-BLLLJJGKSA-N 432.340 0.925 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055526 PEKXTKCQTOYTOB-KSSFIOAISA-N 443.342 0.450 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717336 UJZKKRKJMFCEOC-WMLDXEAASA-N 439.944 0.875 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873607 COHXPNVZBVMEST-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837679142 FLTBHQVOLDYIRC-PMUMKWKESA-N 448.358 0.531 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839711185 PGPCVSKBLQAEHI-WOSRLPQWSA-N 430.303 0.079 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033402 CFKOLGLBBQXLBG-SUNYJGFJSA-N 433.343 0.799 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1840151823 OJBYFXBJSRDQEA-MOENXHEYSA-N 437.924 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1840153035 BFURCVJAHRTGSQ-HNAYVOBHSA-N 428.917 0.788 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840687298 GQYAKBHDQCFYIS-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841750789 JBGFLFAGFOCOND-ZIAGYGMSSA-N 431.917 0.425 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1843415849 UKUUSNNWMDLPNV-FSJBWODESA-N 426.433 0.444 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc(-c3ccccn3)nc1)C2 1846384143 JXZHWPMBQNACPV-UHFFFAOYSA-N 437.504 0.729 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 16785689 ZQEYOHCLOLVGMZ-ZDUSSCGKSA-N 447.510 0.196 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 17329911 HUAOTSSQOHISBP-UHFFFAOYSA-N 448.457 0.999 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 728179036 NOWSMOKPDXVEDK-CABCVRRESA-N 435.502 0.568 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 728205997 PKWDBZLHZIIGRL-KRWDZBQOSA-N 428.424 0.514 50 20 ICGD O=C(NCCCNC(=O)c1cccs1)NNC(=O)C1CCN(c2ncccn2)CC1 728962102 YTVLITXFACQKED-UHFFFAOYSA-N 431.522 0.905 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3c[nH]nc3C)CC2)cc1 731851893 XVYSHSSTZGOWTI-UHFFFAOYSA-N 433.490 0.783 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 734882464 UMZMDOJNYVBWOC-UHFFFAOYSA-N 441.510 0.678 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1OC 745919672 VKMFQHMSCJKOME-WFASDCNBSA-N 430.465 0.965 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1I 749664829 KYTGJFPDJZLNBF-ZETCQYMHSA-N 426.207 0.626 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 755544925 HGFIPKWXALTBRO-UHFFFAOYSA-N 448.457 0.459 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 755557495 JIOGARJPNJFGNC-VIFPVBQESA-N 434.400 0.982 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 756797491 NTHMTRYKOAHMRT-ZDUSSCGKSA-N 425.283 0.612 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 757834778 LKPZNPJFHYHJMO-ZIAGYGMSSA-N 430.461 0.738 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 758045219 BZVDXUMCQDNVJW-VIFPVBQESA-N 426.886 0.497 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(C(=O)O)c1Cl 759096423 XPCADNIHBVKFIX-UHFFFAOYSA-N 436.837 0.946 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccn1 762575932 KUXQFVRYDHMKPZ-UHFFFAOYSA-N 442.524 0.559 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763559575 UVCSUSAWVAQARB-UHFFFAOYSA-N 445.384 0.619 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 763663931 OUQOMZSNNXKLRD-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cn2)n1 763673590 HFXSKPDZSOFRSD-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc2NC1=O 763746363 SVXBPPHMVZQHJU-CYBMUJFWSA-N 437.456 0.945 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 763759256 YLZUGLVMINOUBT-UHFFFAOYSA-N 440.489 0.850 50 20 ICGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c1 763875974 BWCFICLULUDMBF-ZDUSSCGKSA-N 426.429 0.802 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)ccc1OC(C)C 763916291 LUSSETUQBNLAPR-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764169317 VBGBMDOOXYVYGE-PXAZEXFGSA-N 426.429 0.750 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 764423987 FCNGUYRVXMQGGP-LBPRGKRZSA-N 427.339 0.392 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 766919004 APCKZCPWRLOKNK-AWEZNQCLSA-N 441.400 0.343 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780638859 MXVIHTRIONIVED-PBHICJAKSA-N 439.440 0.479 50 20 ICGD CC(C)(C)c1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782966565 NPQAVFAESVGZOR-UHFFFAOYSA-N 426.477 0.593 50 20 ICGD C[C@]1(NNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCS(=O)(=O)C1 783425547 IMQSNSIZTJQTSU-HNNXBMFYSA-N 434.287 0.675 50 20 ICGD CN(C)CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 784003471 XLAFWHQTXQDVBO-UHFFFAOYSA-N 444.536 0.173 50 20 ICGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 786687551 ICXFCQXIUWGMDC-HUUCEWRRSA-N 436.534 0.914 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)c1 787541772 WCAYBRPKKSGDRW-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 787900081 ZRLKOLZWVQHLHK-NSHDSACASA-N 426.857 0.462 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 790063400 JDOAGRKYVKSIEL-LJQANCHMSA-N 436.465 0.399 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)o1 793185683 LUUQFRMTBYPEPC-FQEVSTJZSA-N 449.508 0.498 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2sccc2S(N)(=O)=O)c2ccccc2c1=O 799853456 SQWCJJZFXVDVPK-UHFFFAOYSA-N 435.487 0.590 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)Nc1ccc(Br)cc1Cl 802039087 WUOZCTWNCWEIJM-UHFFFAOYSA-N 439.719 0.986 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNc3ccc(S(=O)(=O)C(F)(F)F)cc3)ccnc1-2 807000714 HIZSJQOIQDPJBI-UHFFFAOYSA-N 442.379 0.717 50 20 ICGD Cc1nsc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 810064013 NMGDBJLMOKTTAJ-UHFFFAOYSA-N 429.462 0.815 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ncccc3N(C)C)nc2)CC1 812535946 LDFHXLNXCOMHFL-UHFFFAOYSA-N 448.553 0.305 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)C(C)(F)F)CC2)cc1 815826950 GSPGGVIRYDMJAP-AWEZNQCLSA-N 432.493 0.740 50 20 ICGD Cc1nc2ccccc2c(=O)n1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 913627893 FPKSHSHABCRCLF-UHFFFAOYSA-N 443.485 0.416 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)CN2CCCC2=O)c1 915063110 CTDJQBNCQUAHKS-UHFFFAOYSA-N 426.495 0.109 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)cc3O)cc2S1(=O)=O 918338708 BTKFTXAKKXOEBO-UHFFFAOYSA-N 433.442 0.566 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccn(-c3ccncc3)n2)cc1OC 1322041200 SFSMIGLDPXJOKK-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD CN(C)N(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CCS(=O)(=O)C1 1330177547 SADREJHYMAQCAW-ZETCQYMHSA-N 446.370 0.264 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1779037150 PZCXYMYMCVQNCZ-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780936875 ZSLAVRPHFWLCRC-DYVFJYSZSA-N 430.889 0.256 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1CCN(C)CC1 1781092592 FMYFSHCFRQXCJG-PXNSSMCTSA-N 426.634 0.304 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782154709 BKIIRQUMTSNQTB-OVNJDOEUSA-N 442.940 0.855 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1782159674 DLKIHRNSDMDOJC-PXNSSMCTSA-N 433.896 0.619 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc2c[nH]nc12 1782261725 HSSXWXCDUYXOPS-JOCHJYFZSA-N 442.520 0.688 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCSC1 1783201237 MUUMEOPXAXOHMO-SFGWALBWSA-N 446.378 0.637 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783344264 SBXFBCOKRYSAKA-YVEFUNNKSA-N 429.315 0.598 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C[C@@H]21)[C@H](O)CCl 1784084497 VMXAMDATMVZLIE-LBCBGTHCSA-N 436.936 0.862 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 1785951238 KCSZRILPADBDPG-ZPSROVLTSA-N 438.488 0.809 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nc1C 1786980149 NVIKPASGWRECRK-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1790957907 CCFMPOMJZHAZMA-XUXIUFHCSA-N 439.372 0.574 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C 1792999414 MTVYWXOGYKZWRQ-BOHRSDJGSA-N 444.536 0.194 50 20 ICGD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793807260 SNDRKJJTYREQIM-RBNVPPIJSA-N 429.832 0.466 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795961869 GKBIAYFCZZEOBV-YFKTTZPYSA-N 426.248 0.380 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)NC(=O)CC2 1796106749 MOYUXNVGVHFOCK-LOUJCGABSA-N 436.896 0.423 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C)c1F)C2 1796440996 IPAOTGOUTCBKAB-OQLCOEBBSA-N 445.455 0.194 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@H]2C[C@@H]2C1 1797632502 MWCCPOBPWDSOEU-CCKNNGANSA-N 428.371 0.947 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797649226 OUOKHSXOOMMWGG-RCJHGTSTSA-N 427.505 0.657 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 1798440104 BXXBPGDTNLYOQU-QOIOWGMHSA-N 435.484 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2 1799843916 GYSZQVDQRYCBKI-LXTVHRRPSA-N 440.953 0.784 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]n1)C2)NC(=O)NCc1ccccc1 1799871433 DSCAYCDLAFKHST-BJWYYQGGSA-N 440.508 0.403 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)c1 1801015952 SEDOLBRWKUXLKY-PTEHBNRSSA-N 436.317 0.492 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803139791 VYJYRRHSCYKAHG-XWSJACJDSA-N 431.924 0.652 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncccn1 1805777591 ZSQUVUWMHILAAR-MJGOQNOKSA-N 431.261 0.185 50 20 ICGD C[C@@](O)(C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)C(F)(F)F 1806478870 CCBXIENXRYJFKA-GOSISDBHSA-N 442.243 0.525 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CCc3cn[nH]c3)C2)CC1 1807020198 RMKNIHAXCJPVEB-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360312 KCUHHDVEFJHXKW-UWJYYQICSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369458 KMAYYIJUMVGQFF-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807373766 AHGQLARQROXIAN-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)O1 1808648977 GFXUGWXMUDJWJW-MROQNXINSA-N 429.246 0.886 50 20 ICGD O=C(CN1CCCCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967685 FALYBQIUFWVRQP-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD CC(=O)N/C(C)=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812322006 FLQVEZYUKLBWGX-ZYUBPCRBSA-N 444.536 0.500 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825450145 FHWPIOUMFDTOBS-GMOBBJLQSA-N 431.356 0.951 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826091792 CKZLLJHEPDKQDG-UONOGXRCSA-N 447.565 0.961 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1830370804 YVRSAFRBIBGFSN-MOPGFXCFSA-N 434.917 0.324 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1830534582 BWZZZYCJKRVBLT-KSSFIOAISA-N 442.310 0.421 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830535301 MCUVPPUGGBPSTB-KDOFPFPSSA-N 448.358 0.342 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719276 BMMDSZBGLAKVGT-XUJVJEKNSA-N 427.723 0.074 50 20 ICGD O=C(c1cccc2cnccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731577 MKAAACICBZNLBP-RXVVDRJESA-N 433.892 0.905 50 20 ICGD COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738590 QGXZXKBRVWMSQD-HNAYVOBHSA-N 434.917 0.166 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833319175 ZPLKFNHMJHKGCV-KSSFIOAISA-N 433.839 0.689 50 20 ICGD NC[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccccc1 1834757516 YXVBZCLYOLXKME-WOJBJXKFSA-N 436.984 0.900 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835795470 YASVTWAXKIHADI-KRWDZBQOSA-N 439.601 0.745 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)o1 1836019356 OCZYDKIXHWZSEZ-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840150392 JRODHSPUYBSNBD-CXAGYDPISA-N 433.292 0.454 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840151416 AQXQNESGCGAQAE-UZLBHIALSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840151867 PPKOLGHOPLCSPV-APWZRJJASA-N 426.901 0.119 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1840153401 NLLBTQWEUFFRCE-KPZWWZAWSA-N 442.925 0.948 50 20 ICGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840321766 HYTGGZOBUHRSHO-JKSUJKDBSA-N 426.297 0.035 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840493124 ATPPNYAWLLBJSB-HACGYAERSA-N 447.305 0.899 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1844999948 YFIXEBZXYIMCPN-UHFFFAOYSA-N 442.302 0.274 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnc3c(O)cccc23)C1 1845702219 MUCUHKUYOPBDDI-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 726281754 CNWLGSYNODLAEJ-OAQYLSRUSA-N 441.444 0.903 50 20 ICGD C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726448957 LSVCHHVCRABTKL-BFHYXJOUSA-N 443.595 0.075 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)c1ccc(-n2cnnn2)cc1 727798901 GFVADJNRCOUGQQ-LBPRGKRZSA-N 427.343 0.587 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2n[nH]c(C)c2C(=O)OC)c2ccccc2c1=O 732045329 HRMOHYOALRJQEJ-UHFFFAOYSA-N 448.461 0.248 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(-n3cccn3)n2)CC1 736683148 OKPVHBDCSMTHHI-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 741692179 BMRISNDJEAJQRO-UHFFFAOYSA-N 443.526 0.595 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 744861727 KORUMXURZUPJSR-UHFFFAOYSA-N 435.396 0.334 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(Cc3cccc(O)c3)CC2)cc1OC 746458895 ZVZYIXNFGYJTQP-UHFFFAOYSA-N 428.489 0.988 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2S1(=O)=O 746548025 BYKXJLLJAGJTIP-UHFFFAOYSA-N 441.469 0.891 50 20 ICGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 749772709 NIRTXJGMSVCWEX-ZWNOBZJWSA-N 449.327 0.581 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 752860446 QRFUXJZRVOFIGF-UHFFFAOYSA-N 443.463 0.525 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758829261 COGWXVMTHJAKHM-HNNXBMFYSA-N 430.440 0.975 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 761703132 CJETXZARWMGXKJ-UHFFFAOYSA-N 446.894 0.299 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)CC1 763557759 DOFBMAKIJCCCMU-UHFFFAOYSA-N 439.472 0.957 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763682083 WUJNQXCZFXYLFM-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)c2ccccc2c1=O 763791783 YOBZASNQLBEDCN-UHFFFAOYSA-N 434.456 0.933 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 763865897 MDJVURPDJFPJJI-NSHDSACASA-N 427.396 0.663 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 763959925 LPPXZBUAXKFCIB-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764077154 LUDSJYYVWDGUOH-GFCCVEGCSA-N 426.495 0.276 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2)CC1 764286512 WNLGGWFUGMPNDU-UHFFFAOYSA-N 448.505 0.159 50 20 ICGD CC(C)(C)OC(=O)N1CC(=CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 766156806 XZIZSAIKYJTUNW-INIZCTEOSA-N 447.444 0.694 50 20 ICGD CCn1c(O)nc2cc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)ccc2c1=O 767289618 BQVFVKKWKDRXMK-UHFFFAOYSA-N 438.440 0.977 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 772066162 GVXDQOGBEAMDMR-HNNXBMFYSA-N 439.534 0.656 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 772889963 UQQZLUIESQHLGY-ZDUSSCGKSA-N 430.914 0.165 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNc2cccc(S(C)(=O)=O)c2)c1=O 776478406 GPWKCUYIIPRDCI-UHFFFAOYSA-N 428.492 0.445 50 20 ICGD COc1ccnc(NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 781937594 CXKCYRVGSVATBV-AAEUAGOBSA-N 427.870 0.406 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc(C)n1 783326151 TWUFUCACRSYKGR-UHFFFAOYSA-N 447.521 0.111 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCS(=O)(=O)C1 783428034 WFCFXRBNBJGMFL-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 785061376 WYYNQUXBVZSLSZ-UHFFFAOYSA-N 436.472 0.495 50 20 ICGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 786427945 WAHULQKUTZQWHE-UHFFFAOYSA-N 432.458 0.370 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-c3cnn(C)c3)nn2)c1 788791241 XPNFBHDNCMVJGE-UHFFFAOYSA-N 444.477 0.594 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC 797535627 PCIOVEIXJIGBKV-QMMMGPOBSA-N 436.248 0.917 50 20 ICGD COc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1F 802346658 HCZVBZSIEVIGGS-LBPRGKRZSA-N 430.396 0.691 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 802566636 YVMSLIRTNMLXKK-VIFPVBQESA-N 442.906 0.984 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804955544 VEDXSDIAJRNIQI-UHFFFAOYSA-N 445.461 0.261 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)COc2ccccc2OC)cc1 806970833 QJWYXIHPPKIHOC-UHFFFAOYSA-N 436.490 0.654 50 20 ICGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2 809983545 MUCWQGIXWQABJE-INIZCTEOSA-N 431.518 1.000 50 20 ICGD Cc1ccc2sc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1 810592961 RQZUAWMOSPJUHL-UHFFFAOYSA-N 426.458 0.418 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1OC 810915408 OFYMYYXDEPZXOF-UHFFFAOYSA-N 443.503 0.529 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 812979573 XHQROHMPCYWZIM-UHFFFAOYSA-N 439.472 0.092 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)cc1 813033953 SOOMWWYSMVNPHT-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 814195027 RMRZAVSYILAACE-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)NCCN2CCCCCC2)c1 814423246 FNGMVOSAOWVPMV-UHFFFAOYSA-N 439.538 0.026 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 815692680 YGWJWTPMRIDGNX-OAHLLOKOSA-N 448.487 0.765 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 913429561 IHUWQIMQONYIDN-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1OC 916525415 HDYQHBJVEGMWRD-AWEZNQCLSA-N 433.461 0.799 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 919677752 AOHHZHMUZFPDBA-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1C 920826774 PGSMRRDNSJTLPE-UHFFFAOYSA-N 436.534 0.474 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2c1=O 1116070680 YMLZPQNCENROOP-HNNXBMFYSA-N 428.493 0.521 50 20 ICGD O=C(COC(=O)[C@@H]1COc2ccc(F)cc2C1)NNC(=O)[C@H]1COc2ccccc2O1 1320296053 DVRBWOOHDFXOFY-SCLBCKFNSA-N 430.388 0.907 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1779326081 UWIGWZREAJBNBX-XTDOFWJNSA-N 432.949 0.462 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)no1 1779817799 MCGPPGNMJNEBNP-DENIHFKCSA-N 441.293 0.358 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 1781011400 JHQRLXMNEWOHQH-QHCPKHFHSA-N 441.532 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1783936227 SJTQAPAUAVCVHR-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CO[Si](C)(C)C)C[C@@H]32)CC1 1786729146 QBFZMEVWSKBGSR-FHWLQOOXSA-N 440.661 0.455 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1CC(c2ccccc2)=NN1 1790545645 QDYBHVPGLKHSKX-FQQAFBJJSA-N 434.924 0.332 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006629 TWPZQPXTXMRDJK-NJBDSQKTSA-N 430.259 0.164 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)c1ccccn1 1796059346 DQCGXCIPYYLREU-PITIFXTCSA-N 437.504 0.854 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cccn2c(O)nnc12 1796288664 KYEMQHONOBJQNO-RBLKWDMZSA-N 442.245 0.329 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1796445648 GZDZHCBWBXDHIJ-CYBACASGSA-N 445.520 0.261 50 20 ICGD CCn1nc(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796596332 INTDENPUNZTGLD-QDMKHBRRSA-N 425.493 0.776 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1796893707 MCKRSXDMRYJEFN-YDOXXCSQSA-N 445.524 0.132 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)[C@H](F)Br 1799347856 YJRYIIVDEQQQCA-FQPOAREZSA-N 444.236 0.762 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799380289 LAXIJJXERDNRQP-PZTGFMGMSA-N 432.521 0.417 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1799907032 JDDRRHLVKTVTGE-BCDXTJNWSA-N 445.325 0.531 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1800606372 IHELPEWSNGUTEO-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(C)(C)C)[C@H]1c1cccnc1 1807101050 PNNOCMKELDQINP-LAUBAEHRSA-N 432.569 0.849 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371747 ZMSVPTXSAVEUGZ-APWZRJJASA-N 449.276 0.273 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cccn2c(O)nnc12 1808182084 BKFQOHJXVSJOPF-BPUTZDHNSA-N 444.879 0.749 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n(C)n1 1809975199 XHDYOTOIIJMQLK-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD O=C(Cc1ccc(F)cn1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810062465 LSDVCUKTRJHGPU-UHFFFAOYSA-N 439.296 0.988 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812344890 DLFFLINGMJHMFQ-JTDSTZFVSA-N 433.896 0.598 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713885 YEGHRJDPPGMQAY-MJGOQNOKSA-N 440.972 0.639 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n1 1813071187 PQRAVWUGXRAQFZ-UWJYYQICSA-N 441.536 0.991 50 20 ICGD COCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817469669 CYYDVCIHDDAKSI-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)Br)n[nH]2)C(=O)N1 1820932237 ZPGQLSNUEBUBON-NOZJJQNGSA-N 445.249 0.644 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccn(C)n2)[nH]n1 1822414030 KWVOCWKSOHSKGG-MRXNPFEDSA-N 430.513 0.751 50 20 ICGD Cn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1O 1825456491 CWYSVHHLHAWFPU-LJQANCHMSA-N 440.309 0.353 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055636 AOTIHGWKBBERPP-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720030 QVGKEUSDSBRQEX-LTSLTLJYSA-N 443.840 0.257 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733733 SEIMCVUUHAWXJF-GHTZIAJQSA-N 435.908 0.767 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736839 BEWNSGQLJHBTRH-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390103 MIHWARHGTQKNQZ-IFXJQAMLSA-N 426.901 0.474 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833502468 QTZKTCMNXODPGH-IERDGZPVSA-N 439.601 0.338 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833573318 BCHXWSVMBNDYKT-MRXNPFEDSA-N 437.255 0.656 50 20 ICGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)n1ccccc1=O 1835822341 YYRURTGYQMMMCQ-YJBOKZPZSA-N 438.956 0.581 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839152798 KXECZIIWEWWTAF-DHJFXDNESA-N 448.347 0.514 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203837 YJNZJXKXDNBCFB-RDJZCZTQSA-N 445.289 0.556 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839651407 BZYZXDXESINCMG-QGZVFWFLSA-N 433.292 0.375 50 20 ICGD COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839952423 FEGLQTKLGJOHHJ-OXQOHEQNSA-N 426.897 0.294 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839963730 UFCHMBJAQIRWDU-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989235 WFIYERGPESQGPY-AUUYWEPGSA-N 449.932 0.221 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1840036133 GKVCBGRMHVLGAS-MPGHIAIKSA-N 443.342 0.759 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840037370 ZADVQMHSOBDFNR-KBXCAEBGSA-N 441.326 0.649 50 20 ICGD CNc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 9924123 DMSRNWDOPKNECF-INIZCTEOSA-N 430.373 0.781 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 14842143 ZABJULBETVVPGD-UHFFFAOYSA-N 440.485 0.923 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 726979172 CXHCILJNCJEYPE-UHFFFAOYSA-N 443.485 0.065 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 728214009 KQOWSQCJJVUVLU-OAHLLOKOSA-N 437.566 0.713 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2cnc3ccccc32)c1 732595016 JRZRASKHOBEZKV-UHFFFAOYSA-N 430.490 0.931 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cnnc3ccccc23)c1 733810336 FCJNGCLQZJDWKF-UHFFFAOYSA-N 428.474 0.753 50 20 ICGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118354 SWACDDWTBLRGMF-RDTXWAMCSA-N 447.517 0.689 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 741646154 GPJRQJYAMXNMRV-UHFFFAOYSA-N 429.524 0.393 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C 742239709 BOOXZTFXEIDWSZ-GMYDAAELSA-N 429.473 0.769 50 20 ICGD Cn1nc(SCC(=O)NN=C2COc3cc(Cl)cc(Cl)c32)c(=O)n(C)c1=O 743433445 GEULLRVVQZFXHG-UHFFFAOYSA-N 430.273 0.791 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C)c3)CC2)cc1 744384338 MVMVJRMPOPXKGP-UHFFFAOYSA-N 446.529 0.771 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] 745616754 BNKXIVWAYCJXNN-QGZVFWFLSA-N 444.400 0.562 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 747488745 HSGHWBILIMZLTQ-KRWDZBQOSA-N 447.517 0.612 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cccn2C)c1 747599362 UIKFOEJPRFFOLA-UHFFFAOYSA-N 435.506 0.187 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 749449575 ONNCXOTZTFTDJO-QGZVFWFLSA-N 447.451 0.316 50 20 ICGD O=C(NNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)N[C@@H]1CCS(=O)(=O)C1 749582686 LYRQKLSUTVXASK-QLJPJBMISA-N 444.922 0.786 50 20 ICGD COc1nc(N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)ncc1Br 750839417 UQWHGIXWNRTWHY-UHFFFAOYSA-N 449.309 0.831 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756095328 MQPIJWSPUAUNER-STEAMIEHSA-N 426.473 0.820 50 20 ICGD O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)NNC(=O)C(=O)Nc1ccccn1 758719732 JGPMPCDYPIONFZ-INIZCTEOSA-N 430.440 0.563 50 20 ICGD CCS(=O)(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C 759101215 HGNYFILUZACJFM-UHFFFAOYSA-N 425.511 0.594 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1 759485728 OESTXUOTZJSCHP-OAHLLOKOSA-N 432.502 0.819 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)NNc3nccc(N4CCOCC4)n3)c2C)nn1 762863119 YIDCBYGTWSZRAT-UHFFFAOYSA-N 425.453 0.753 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 763861883 SNAPFZTXSULGJB-LBPRGKRZSA-N 442.428 0.970 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1C 763945020 RBDZTZCZCVLSHD-UHFFFAOYSA-N 426.389 0.103 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763993447 QIWBFHJVNZSMBD-UHFFFAOYSA-N 429.502 0.922 50 20 ICGD CCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764260256 NQHQMXIROYHYIU-UHFFFAOYSA-N 437.460 0.749 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 765249100 OIBQMXPBWRXIJG-UHFFFAOYSA-N 430.398 0.836 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 765316720 CZLFGCXSZVWQJB-UHFFFAOYSA-N 438.506 0.664 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n[nH]1 765585908 JJISQOUQNUUHQF-UHFFFAOYSA-N 433.494 0.249 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncc(F)c3)CC2)cc1 765731339 ZVKLZEYXZCILDD-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 767187718 VCCBBYHQSXLRFC-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 769220884 CQEIMDIVNNKGMR-UHFFFAOYSA-N 448.461 0.193 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 778434269 XKSVXGSOJKENPQ-BENRWUELSA-N 426.495 0.639 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 783426636 IKAANLOONMJLMS-CQSZACIVSA-N 449.283 0.802 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 784005028 XDGOQGNLZWCPSO-UHFFFAOYSA-N 439.306 0.956 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 786668769 IPRJFHBPIOHRSL-GZTJUZNOSA-N 433.486 0.727 50 20 ICGD CC(C)[C@H](CN(C)S(=O)(=O)CBr)NS(=O)(=O)CBr 792781335 IMSLKOPPFGAAKZ-QMMMGPOBSA-N 430.184 0.897 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(Cl)cc1C(N)=O 793023350 OBXFLTQRWWLRCW-CQSZACIVSA-N 448.819 0.373 50 20 ICGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)O 794867482 XOBGEMCVNDVXSH-UHFFFAOYSA-N 436.837 0.946 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1OC 796488483 DMJTVYSMAFICMQ-HNNXBMFYSA-N 447.492 0.910 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368316 AJBTXUCGFFBIDD-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD COC(=O)N(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 804124572 AIDAYNXEDAJEEN-UHFFFAOYSA-N 439.494 0.256 50 20 ICGD CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 810391280 ARJQAKOGNCADCA-UHFFFAOYSA-N 431.218 0.351 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 810465401 LZOYARWFNGNRDA-UHFFFAOYSA-N 429.458 0.205 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(C(=O)O)(c2cccc(Br)c2)C1 814835581 WBZUTOIPVCFRJK-WXMRUQJCSA-N 432.296 0.975 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(Br)c(F)cc1F 815691378 OHRWRNJPJBXOTL-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2=O 892847979 RNFQEODYIVSHMQ-LBPRGKRZSA-N 443.485 0.734 50 20 ICGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915907004 XLRXPTUWRFYEAD-UHFFFAOYSA-N 425.511 0.187 50 20 ICGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 917640105 GDTABIMBDJGKMP-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CC(F)(F)F)c2)CC1 918364333 NPTCZHFHXKPEGN-UHFFFAOYSA-N 436.412 0.253 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)c1 919956648 XZQLKXAKNVPGII-UHFFFAOYSA-N 438.414 0.797 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1F 1116846847 BFCBTMOFMIMLRS-UHFFFAOYSA-N 429.451 0.811 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1320516264 NKDMWANUSSLPOE-LBPRGKRZSA-N 440.522 0.679 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 1340986802 GSORLPNSANRBKP-AWEZNQCLSA-N 443.526 0.801 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1779031754 FQFZAXAWQBZAQX-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780823793 UGFFUUHRFGWSLW-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780827721 AQPYIFLEYDKTNG-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781015875 SWLWHDHHJNTKCJ-PJIJBLCYSA-N 431.917 0.425 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)s1 1784092676 LVHPZBNGZPDPTM-MXAVVETBSA-N 444.937 0.657 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784290734 WNUYPQRFBSMHCW-VGOFRKELSA-N 431.537 0.463 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)Br)C[C@@H]32)n(C)n1 1785616496 GPANDMJOIJUNQB-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD O=C1CCc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)nc2N1 1787265272 NRXONXBMKMWHQY-SDADXPQNSA-N 436.896 0.159 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1787628272 FUMGRXJZEHZNIQ-HOSILWTGSA-N 443.342 0.906 50 20 ICGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793714452 GXCUBCFGAXLGLP-OJXGSEEGSA-N 440.273 0.711 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@@H]1Cc2ccccc2CN1 1796327954 VSHNXKHRBBUGOI-BQJWPVKWSA-N 440.313 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007669 AKECCBGIKDOGBW-OAVKVSGMSA-N 435.315 0.365 50 20 ICGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1803004428 GPRPPFFRSNKNRN-DZEPHYLXSA-N 440.504 0.992 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803138153 XTFRWXBYFQVENL-XYJFISCASA-N 426.970 0.736 50 20 ICGD COc1cnc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cn1 1808773434 YMISCIWXTHVMQS-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD CN1CCC[C@H](C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)C1 1813072168 CKECIHIJUIRRTQ-XQBPLPMBSA-N 444.580 0.802 50 20 ICGD CCO/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813248150 JUKBOKMZNJJZIB-FPUBDHESSA-N 438.488 0.950 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826937305 CXXJIVQYTFADLX-AEGPPILISA-N 431.375 0.982 50 20 ICGD CC(C)(C)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054720 ICBYIOWVRSJKFR-HXUWFJFHSA-N 429.370 0.988 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)CC)C3)C2)cn1 1833435035 OKGFQZYIXBPICF-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834818779 DZUZRWXKDCHTTA-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819264 MPWWYDZPCPFYLA-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)CCl)CC2)CC1 1835840128 CBRQVMIRFUIXSL-GOSISDBHSA-N 445.004 0.974 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836895547 IGLLFTGNVYLGES-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnc[nH]3)CC2)CC1 1837446101 BIGHENIANOAUJF-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1838046805 QIWWPMAEVFPDGF-ACJLOTCBSA-N 443.342 0.836 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839250819 MZEIPARGUZYTHB-YJBOKZPZSA-N 449.287 0.421 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840032679 HFGISZAEDCLDOR-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840153599 UYYYZRICZYFHDG-GUXCAODWSA-N 441.912 0.120 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC3CCCC3)C2)C1 1840183440 FERZFFCLYHJEMZ-JOCHJYFZSA-N 438.569 0.786 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415925 UKVIXRXOBWRFPK-CKEIUWERSA-N 444.330 0.327 50 20 ICGD O=C(c1ccc(-n2cccn2)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012058 ZFNSXYDBHCEUGJ-UHFFFAOYSA-N 430.273 0.683 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2n1 1843013934 FWVBXZMURQBJFR-UHFFFAOYSA-N 433.277 0.157 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1843416219 MNKRUEPXRXBJAB-FXRDBBOVSA-N 426.521 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1844265018 LDWQXUCPHIZTAQ-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1845570947 KYPYTCXUZQAPKT-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)n(-c2cccc(=O)n2C)n1 1847559769 KPZLTIFKPMRZKX-OFQRWUPVSA-N 433.896 0.295 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)Cn1cccn1 1848267063 RFTJTWXYIJQSCU-AYONOVHTSA-N 425.493 0.855 50 20 ICGD Cc1ccc([C@H](CN2CCOCC2)NC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725872780 RWWSERCSUJYATE-KRWDZBQOSA-N 429.477 0.722 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)c1 727609154 HUNZDQTUBRYQHA-LLVKDONJSA-N 439.519 0.478 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCNC(=O)OC(C)(C)C)c1 729054102 LETJFNBFZUQZGU-UHFFFAOYSA-N 443.526 0.796 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1C 730672585 HNFZFBGRCGXAAB-HNNXBMFYSA-N 444.579 0.780 50 20 ICGD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 746629863 HRXNLQHIJNSUPB-UHFFFAOYSA-N 425.850 0.747 50 20 ICGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 749220288 LCBQPYFDUAUNAA-UHFFFAOYSA-N 439.472 0.751 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1C 750662369 DIZSRPSZYRKQCX-UHFFFAOYSA-N 425.536 0.798 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NNC(=O)c2cccc(C)c2)c1 752336901 LVVXSIZRSNVRCZ-UHFFFAOYSA-N 439.476 0.881 50 20 ICGD COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CO)c2)cc1Cl 753445612 QFHUODABUNKEHQ-UHFFFAOYSA-N 443.865 0.911 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)N1CCOCC1 755413549 NKQPPZPKMATTJX-UHFFFAOYSA-N 437.478 0.521 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 758745366 SPAAJLXRNNSKDU-UHFFFAOYSA-N 443.482 0.366 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1N1CCOC1=O 763573247 RCVHCRBZUKEMHI-QGZVFWFLSA-N 440.412 0.878 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)cc1 763660474 DRYIHKXWWZIWMH-UHFFFAOYSA-N 429.433 0.092 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 763811682 KLSHLQBVHKPJIA-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 763820587 LEGKVXYRXZRMBQ-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763857022 JQMHQGWNHMQOHD-NSHDSACASA-N 435.433 0.709 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)n1 763881747 PMCPXQDUXPFPFG-UHFFFAOYSA-N 444.517 0.475 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1cccn(C)c1=O 763884016 SVGXCQPLFFYYKM-SNVBAGLBSA-N 437.250 0.701 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc(Br)c1=O 763918827 IVNPBWDBCMFVOY-UHFFFAOYSA-N 425.214 0.616 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 764003114 YSGSHELUMMLOLZ-QGZVFWFLSA-N 425.466 0.607 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)CSc2ccccc2O)C(=O)C1 764049259 XKRDFEBOKQJSSA-UHFFFAOYSA-N 438.506 0.711 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 764081281 DZWCNFOFSCEOIN-NSHDSACASA-N 428.511 0.904 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1O 764130184 CMUQFLAQPGCEBQ-UHFFFAOYSA-N 432.408 0.776 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764166989 GUCVNTYMWXDQEE-QGZVFWFLSA-N 444.469 0.217 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)c1ccccc1 764331326 BDCGXNLSLLMFLP-HNNXBMFYSA-N 428.445 0.839 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764430084 SGONNTMYDCMUAB-LLVKDONJSA-N 433.202 0.101 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 764432675 JDBKHQKOFCLNJK-UHFFFAOYSA-N 433.808 0.864 50 20 ICGD CC(=O)Nc1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765734935 FUTXNKGOSWQYSF-UHFFFAOYSA-N 437.500 0.793 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767270066 NVOZVGTXFYANSC-UHFFFAOYSA-N 447.513 0.823 50 20 ICGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 769767548 PNQQAYXXFDXZGK-BETUJISGSA-N 446.620 0.956 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c1 772351022 AZKDKEFTXHEVNI-UHFFFAOYSA-N 438.444 0.432 50 20 ICGD O=C(NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 776752647 IUXOSNVQUVVYEX-KDOFPFPSSA-N 427.454 0.319 50 20 ICGD CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 776844908 NDBHQGWHGNJIND-HIFRSBDPSA-N 430.469 0.863 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCS(=O)(=O)C1 783428922 YUBQDKBVXNNKCK-ZDUSSCGKSA-N 426.239 0.864 50 20 ICGD Cc1cc(C)nc(Sc2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)n1 784002591 HYHBSRXKDZHDHU-UHFFFAOYSA-N 442.501 0.953 50 20 ICGD CCn1cnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004323 WHWFVQTVJMHFOQ-UHFFFAOYSA-N 441.473 0.542 50 20 ICGD CCOC(=O)c1oc2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2c1C 788749443 UZQLMLRVTDPYJG-JTQLQIEISA-N 447.491 0.165 50 20 ICGD CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 789758233 RJVVRYHLQIZEKL-CQSZACIVSA-N 445.501 0.649 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 795082080 VVCLTMJUNCKFOK-FZKQIMNGSA-N 426.495 0.120 50 20 ICGD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 795315723 YFDJOFROJMVVOG-ZCFIWIBFSA-N 448.306 0.027 50 20 ICGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 798316603 GPPXSPALSNGIHR-UHFFFAOYSA-N 440.441 0.800 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 799860175 XOZXLUDWLYEAKY-GXFFZTMASA-N 449.327 0.710 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CC2)cc1 800334646 OOZXWULEDOFWMN-FRQCXROJSA-N 438.550 0.262 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cnccn2)cc1 806750423 JWLSSKJSMCKJSH-GFCCVEGCSA-N 430.421 0.251 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NNC(=O)c1ccc(Cl)cc1 848389923 SXACFMDFAOARFC-UHFFFAOYSA-N 443.840 0.762 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cn4ccccc4n3)nc2)CC1 915907124 ATQCHXJCVSZSON-UHFFFAOYSA-N 444.521 0.492 50 20 ICGD CCC[C@H](C)N1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 917982137 OJSPTAVGNFBNLO-JJRVBVJISA-N 433.461 0.554 50 20 ICGD CNC(=O)NNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 919879770 GCORVOZCGURVSR-UHFFFAOYSA-N 449.489 0.809 50 20 ICGD O=C(NNC(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccc(-n2cnnn2)cc1 920049759 PXMSQOBKZHETTK-UHFFFAOYSA-N 440.489 0.973 50 20 ICGD O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCN(S(=O)(=O)CBr)CC1 1323070529 OVFUJNHNGWMPMZ-NSHDSACASA-N 429.358 0.028 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1 1344524178 PBIHRBPYUVTFOX-UHFFFAOYSA-N 431.474 0.303 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779616772 BTFRJQOYPVKGQA-IBGZPJMESA-N 449.418 0.034 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1 1783847520 PBVZJVOIFLYEFP-AJNGGQMLSA-N 437.990 0.559 50 20 ICGD COc1ccc2[nH]cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)c2n1 1789187989 YUSHPZIQICAVJR-YUDUHTQSSA-N 436.896 0.765 50 20 ICGD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C#N)=C/c3ccc(F)cc3F)[C@H]2C1 1790693928 JWMBRRQXEWXHRN-IJFVLIARSA-N 446.454 0.986 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)C=CC3=O)CCC2)cc1 1791602563 OAYNUANSQRMNPW-UHFFFAOYSA-N 441.488 0.419 50 20 ICGD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879275 VEZIMXBDOMEUIZ-XFMPKHEZSA-N 431.917 0.687 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1F)c1cccc(B(O)O)c1 1794814664 MUJUAFGHHCHYHB-MUJYYYPQSA-N 426.257 0.672 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H]1Cc2ccccc2CN1 1796373653 VSHNXKHRBBUGOI-JJTUDDRGSA-N 440.313 0.981 50 20 ICGD COc1nc(C)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440071 ZIEVQAYIFFIXLJ-QDMKHBRRSA-N 438.488 0.963 50 20 ICGD O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Cl)C4)cc2N1 1800038401 QGMUBWNOHAMMCD-DJBIQUGXSA-N 428.873 0.863 50 20 ICGD COc1cc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801646165 VTVSYRWFECBOFC-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n(C)n1 1805639020 OVTQNPIJNBHORH-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(F)cn1 1805978591 CLMQKDFUGISQIK-DYESRHJHSA-N 448.263 0.929 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1808253466 ZTWONWPWLKTMBF-QRWLVFNGSA-N 448.487 0.366 50 20 ICGD O=C(O)c1cnncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810793868 OCSVGKWXOBOTAM-MAZHCROVSA-N 433.852 0.489 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1813030591 DOMIHSUVJCIFMB-INMHGKMJSA-N 441.985 0.825 50 20 ICGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813297631 KDJVLEBWXDAHOU-HMRDUNCJSA-N 445.288 0.518 50 20 ICGD O=C(NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)c1cccnc1 1814868285 YESWPEBUHXPHQF-GJZGRUSLSA-N 434.884 0.827 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3C)sc2C1 1823054668 LCVPZDVLLVZBPX-AAEUAGOBSA-N 436.538 0.049 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnn4c3CCC4)sc2C1 1824055635 ZLASAPBJFKLSOY-LBPRGKRZSA-N 445.549 0.885 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824179848 ZKCIIIQVMXHHOJ-HOTGVXAUSA-N 425.913 0.521 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829536897 YETXCABZHROCPS-HNAYVOBHSA-N 427.885 0.150 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1830535236 KDELSRVMTFXMDQ-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538392 DZLRWUJFEQZTJO-BZNIZROVSA-N 447.355 0.948 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719756 JQLKXCXTKFWLTP-FXAWDEMLSA-N 427.929 0.620 50 20 ICGD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)o1 1833568089 MKWMJQWHWPJFKG-UHFFFAOYSA-N 439.321 0.767 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834322643 ZXAWEJAOOPZDFB-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD Cc1[nH]ccc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835215189 GSJHQCBVFDITFY-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835680604 MXILDUBOOIPUTD-GUYCJALGSA-N 449.321 0.415 50 20 ICGD CC(C)(F)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736679 ANQYGODARHREIM-UHFFFAOYSA-N 434.516 0.618 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1836067598 AQSLRGHCDDHYSJ-MRXNPFEDSA-N 431.287 0.162 50 20 ICGD CC[C@@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837914148 PFHBUWIIEMYNNW-LJQANCHMSA-N 446.552 0.295 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)CN1 1838648538 YIRIQLWVCPBRSK-XHDPSFHLSA-N 434.306 0.812 50 20 ICGD O=C(Cc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201787 JHVGRWYBHSQICY-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839432110 BMOVIELABJKOLX-RDTXWAMCSA-N 449.287 0.421 50 20 ICGD O=C(c1cccc2nscc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839574841 GPVTXECIJHKERM-VQIMIIECSA-N 439.921 0.966 50 20 ICGD O=C(c1cncc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840063017 KEASJXVXBNTFKU-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1840155078 PGVBIVNYPCCXDO-KXBFYZLASA-N 430.860 0.855 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841571217 IBQYWFOLLIGRQM-NHCUHLMSSA-N 434.301 0.996 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2nccn2C)C1)NC(=O)NCc1ccccc1 1842512625 LURLJNWAJKDPMV-UHFFFAOYSA-N 439.520 0.583 50 20 ICGD COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038336 QTJNOTDUOLCSKK-KRWDZBQOSA-N 431.537 0.819 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1846348296 LHHZQFJIZOAJFL-DOTOQJQBSA-N 428.294 0.163 50 20 ICGD COC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1846510749 RMZNWIRRDBZZTR-LBPRGKRZSA-N 432.905 0.678 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 16785657 AJPZPVQGYIZGMQ-HNNXBMFYSA-N 443.547 0.365 50 20 ICGD O=C(CCn1nnc2ccccc2c1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110550356 YDQSSORIBPTZRY-UHFFFAOYSA-N 428.474 0.766 50 20 ICGD N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725873266 MBRSQXSRZLSZOD-UHFFFAOYSA-N 443.489 0.778 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(OC)c1 730066397 FSAGDLBTNSSUKR-NRFANRHFSA-N 441.444 0.903 50 20 ICGD COc1cc(C=NNC(=O)c2csc(N3CCOCC3)n2)cc(OC)c1OCC(N)=O 730548220 WATKKVUSAYGZQP-UHFFFAOYSA-N 449.489 0.625 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 730814010 PGWQUHVUMMMPNP-UHFFFAOYSA-N 429.476 0.031 50 20 ICGD CCOCC(=O)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 731161101 KNGRZUJWXYKMSO-UHFFFAOYSA-N 436.943 0.715 50 20 ICGD COc1ccc(C(=O)NCCN2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 732203876 KQLXFTNSBJUXSI-QGZVFWFLSA-N 433.553 0.625 50 20 ICGD CC[C@@H](C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1 732474639 RSWVVAYTYHECJO-IAGOWNOFSA-N 426.539 0.999 50 20 ICGD CC(=O)Nc1cccc(F)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 734196378 UPZWGHPBVXKDOP-MRXNPFEDSA-N 431.376 0.928 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 740814218 MIAOBBAXFCLHPY-UHFFFAOYSA-N 436.400 0.662 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 744384703 PLMIRRGLDDDHBK-UHFFFAOYSA-N 445.476 0.465 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CCCOCC(F)(F)F)CC2)cc1 744390773 JSJBYYXIUYSLEJ-UHFFFAOYSA-N 427.427 0.906 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747436997 AZEFSKLTSNRPOV-UHFFFAOYSA-N 442.519 0.835 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1C 748112374 XVTJDRVZGKDBFT-HNNXBMFYSA-N 428.511 0.063 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 753695126 MAZRTYHAXWYEHE-GFCCVEGCSA-N 446.489 0.994 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 756231731 RWOFJLRWUIEGCC-QFIPXVFZSA-N 438.440 0.597 50 20 ICGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 759677013 AOKXOSDKWPVKEX-UHFFFAOYSA-N 448.501 0.498 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)n(C)c1=O 760053872 RIMIGGFQQMUAEQ-SECBINFHSA-N 447.418 0.131 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 763551708 ZNULRBVBOSFYCG-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 763614611 UKUDRPHFURSKTE-UHFFFAOYSA-N 442.457 0.385 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679054 KYHYQPRTWSQSNA-UHFFFAOYSA-N 425.401 0.357 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1 763719006 TWQYLBJKCXXJKI-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 764277821 OJXSRFPPVDFBKR-UHFFFAOYSA-N 428.323 0.893 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)cc2)C(=O)N1 764348982 FRLVYKWRNJOAHC-GFCCVEGCSA-N 444.831 0.651 50 20 ICGD COCCC(=O)N1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 767971921 RUPZPWIVWWLKDQ-UHFFFAOYSA-N 430.465 0.549 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3ccc([N+](=O)[O-])cc3)n[nH]c2n1 768246588 BDUOZCGAYKEMQQ-UHFFFAOYSA-N 432.470 0.948 50 20 ICGD COc1ccc(N2CCN(CCNC(=O)NNc3nc(O)c4cnn(C)c4n3)CC2)cc1 770364764 NOXOYANATLWQMN-UHFFFAOYSA-N 441.496 0.526 50 20 ICGD Cc1cc2c(N3CCC[C@H]3C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ncnc2s1 770883723 PLIOLYKZOJPWKA-AAEUAGOBSA-N 438.535 0.486 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 770949270 CSRZRFZCDJIMRA-RRFJBIMHSA-N 429.514 0.882 50 20 ICGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771736557 MHKXVBYDJMEWIW-KRWDZBQOSA-N 435.803 0.278 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCN(C)CC3)CC2)cc1 773672029 DEMFMOQNAHOFRV-UHFFFAOYSA-N 439.538 0.084 50 20 ICGD O=C(NNC(=O)c1ccc2nsnc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 776703499 XGJOVXHUZJJXQP-UHFFFAOYSA-N 447.498 0.787 50 20 ICGD O=C(C[C@H](C(=O)NN=Cc1ccc(F)nc1)N1CCOCC1)NN=Cc1ccc(F)nc1 777438362 VRWCGWGCDWAOBZ-MRXNPFEDSA-N 445.430 0.446 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 777939834 RBJASYKVJSSDHI-UHFFFAOYSA-N 444.485 0.896 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1OC 778140110 YISPOWQWXNBDKW-HNNXBMFYSA-N 444.452 0.620 50 20 ICGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1C 782898050 XXVYNCPCKJRZJT-UHFFFAOYSA-N 449.537 0.993 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 784003675 LLVVZZMVGOIBFI-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1Cl 784004147 IRKRMJMWSNEMQJ-UHFFFAOYSA-N 437.865 0.876 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCS(=O)(=O)C1 785991911 HNKIAHNGPVQEAJ-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNc2nc3ccccn3n2)CC1 790211459 LZWSHZITFKBEFM-UHFFFAOYSA-N 432.485 0.873 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)Cn1ccc2ccccc21 792916898 ANMQPELXNXYZLH-UHFFFAOYSA-N 438.444 0.929 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)nn1 793035609 IDVPXELHSCFEQC-UHFFFAOYSA-N 434.478 0.786 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 802566380 MJQGGGGILRNKOQ-UHFFFAOYSA-N 425.304 0.756 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc(C4CC4)nc3N)cc2)CC1 806781782 GMGDLNOTGQDTCM-UHFFFAOYSA-N 431.522 0.629 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C 811479867 OJWAZDWEAUPKQF-UHFFFAOYSA-N 448.501 0.656 50 20 ICGD CS(=O)(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778380 ONQPNSYIHCMDLM-SNVBAGLBSA-N 434.268 0.118 50 20 ICGD COCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 913408526 SEEADUVKFWJSFN-UHFFFAOYSA-N 446.529 0.601 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 914748023 BZMJCOZQKHMMAA-INIZCTEOSA-N 444.513 0.816 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)o1 915030825 WKNOEGSIWQZEPB-UHFFFAOYSA-N 429.838 0.801 50 20 ICGD COC(=O)COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 918292434 JOGUFFVHTAEDCZ-UHFFFAOYSA-N 449.485 0.629 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)NCC(F)(F)F 918707175 CDPCLTDRFONWAA-UHFFFAOYSA-N 440.400 0.409 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2c(C)c(C)sc2=O)cc1 919810611 QNXNDNQJTVWAFR-UHFFFAOYSA-N 426.520 0.303 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N[C@H]1CCS(=O)(=O)C1 919887969 JUGLJTCQCTXNOI-CABZTGNLSA-N 449.316 0.864 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(C[C@H]2CCCO2)CC1 1251874347 LZFFQEZOYCQVKZ-OAHLLOKOSA-N 438.554 0.567 50 20 ICGD CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N(CC)CC 1779029098 LIPFATXMSKENFO-AVRDEDQJSA-N 446.552 0.249 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779446064 LYNPJLNOYTXTKZ-HXUWFJFHSA-N 447.659 0.311 50 20 ICGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1781233904 OKDSXCZENFZLOQ-ROUUACIJSA-N 447.319 0.324 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccc(O)cc1 1781261229 DXZCZVXJTLBGND-AOMKIAJQSA-N 432.521 0.699 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940051 DBCSXAGHPWFGEP-YJBOKZPZSA-N 427.841 0.998 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1ccnc1 1782210559 ZZUQIGOCFHBVOO-CBGDNZLLSA-N 434.541 0.331 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782678583 CAARFQKSBXLIQC-BDJLRTHQSA-N 429.271 0.174 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1783534083 PJBVIVIRTOQRBG-DCGLDWPTSA-N 426.315 0.890 50 20 ICGD C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783917900 UCOMZHIWTGTQEX-QFIPXVFZSA-N 429.521 0.739 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccc(O)cc1 1783935653 WKQPRZGHLCYPOD-AOMKIAJQSA-N 432.521 0.699 50 20 ICGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096351 DVEHJDKFQJOXQH-QSGXVVIFSA-N 437.924 0.384 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788532697 PIHBBAJMHIRSPH-NAKRPEOUSA-N 445.232 0.855 50 20 ICGD O=C(/C=C\C(=O)NC1CC1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1789425925 ZPXIBJCGLVJZNU-QXMHVHEDSA-N 447.300 0.949 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922218 ATDFZCXFYQALPH-QXKUPLGCSA-N 443.317 0.622 50 20 ICGD COC(=O)NCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1791750543 RAKGGYQVULEAHC-UHFFFAOYSA-N 440.460 0.789 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc2nccnc2c1N 1795706397 VWHOMTZWEFFBQO-LSCVPOLPSA-N 439.925 0.731 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1796586428 HJZOAGWBEBHJRI-HRJSJKBJSA-N 433.336 0.969 50 20 ICGD Cn1ccc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c21 1797051051 JHSUJKROZHEMJK-RMFSNUHRSA-N 447.300 0.375 50 20 ICGD O=C1NCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)ccc21 1799349745 KGMQEPJAYVUDOB-AYRXBEOTSA-N 440.269 0.824 50 20 ICGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)cnn2c1 1799350373 XTKACHPNBOXKDM-ZMJPVWNMSA-N 440.273 0.931 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1800982439 GKMFAZGBVAKMMR-LXTVHRRPSA-N 445.944 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccccc3O1)C2 1801012240 PGGAAUIEHKCWAS-ZRAXVTTISA-N 444.532 0.343 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807061072 LCXGWQCRQIFRAO-YDHLFZDLSA-N 425.331 0.744 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cnn1C 1807361433 AMNIINSSDYAXDO-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363363 ZUNVYXNOSDVIPI-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)c1 1807473108 LBGYBEZBEQZABT-INIZCTEOSA-N 443.953 0.930 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](O)CCl)[C@H]3c3cccnc3)CC2)CC1 1807927500 NWKZONUXTBXVGX-FHWLQOOXSA-N 449.983 0.467 50 20 ICGD O=C(CCBr)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809066942 NGJXOCZDJIGZBK-UHFFFAOYSA-N 437.143 0.996 50 20 ICGD CNc1nsnc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967892 OCJWCXJOMROIEV-UHFFFAOYSA-N 443.338 0.418 50 20 ICGD O=C(Cc1cncnc1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337962 YBTBBCPECNMRCR-OAHLLOKOSA-N 437.290 0.081 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)CN)CC2 1817279956 MRJBKJRYQCJTRG-NMOQZMMYSA-N 431.522 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cncn2)n[nH]1 1817612714 YOMIEKOEYUZWBG-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792980 FQVYEPKHHMTBJH-VXGBXAGGSA-N 442.501 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc[n+]([O-])cc1)CC2 1826087662 IVFSIQMEPPUKME-CYBMUJFWSA-N 432.506 0.375 50 20 ICGD O=C(c1cnsn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056341 SKNRLKIGFRVFMS-GOSISDBHSA-N 428.323 0.765 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1830545531 KMODEQMBYNWOBV-APWZRJJASA-N 446.386 0.960 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719723 IOUDJQPLHJMRFF-YWZLYKJASA-N 448.944 0.555 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735661 LBQPZHOGYVAQEF-SLEUVZQESA-N 427.723 0.216 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)n1 1830738382 NXEFUGSNFFEUHN-WIYYLYMNSA-N 439.940 0.687 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1F 1830738901 WSRJRMALMZLSSZ-IFXJQAMLSA-N 432.851 0.943 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830922204 DIYRJPJPTUACBH-XLIONFOSSA-N 425.913 0.643 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477691 OPHAZWXVFWGUQM-KBXCAEBGSA-N 448.358 0.531 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1832206428 PQIDCMYGCXUNNM-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c[nH]1 1833376337 PVBCJGDMVLIUDR-FOIQADDNSA-N 427.929 0.982 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccsc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797430 KKUUUATXIAREGO-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834822607 XTMDEEQWLITRRU-KRWDZBQOSA-N 429.315 0.204 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930614 PRECRORWXWJZFH-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198959 PJZIIWJPFFOKSO-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839387842 WWUYZADEDIRTCF-KSMMKXTCSA-N 449.932 0.303 50 20 ICGD CCCCC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839900756 KDNSRYAYBBCNQV-WZONZLPQSA-N 446.353 0.653 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1839963451 KTSDGZWROKNVHQ-BDJLRTHQSA-N 447.355 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840155031 NNIRRFSEUOPSEG-APHBMKBZSA-N 431.744 0.933 50 20 ICGD CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)C(Cl)Cl)CCO4)C3)CC2)CC1 1840189189 BZSJDJGUCOYYRE-GOSISDBHSA-N 449.379 0.027 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840431674 OJNLGVGOTZQOEQ-PXNSSMCTSA-N 438.601 0.827 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843013003 YGUUUVLRNXKWBF-FUHWJXTLSA-N 442.321 0.553 50 20 ICGD O=C(c1nnc(-c2ccccc2)o1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014221 LLBFMTYTGLSWMA-UHFFFAOYSA-N 432.245 0.547 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3cccnc3nc1O)C2 1844265036 NHHGFXOMQWDICG-UHFFFAOYSA-N 447.455 0.465 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848280308 OEQFVBZPFZAGHT-GJZGRUSLSA-N 428.405 0.778 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)C(=O)NC1CC1 9889490 SGWQNHVGGQOUFO-UHFFFAOYSA-N 436.534 0.610 50 20 ICGD CCCCO[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 109175651 HUIOSCBDNFPYRZ-INIZCTEOSA-N 441.550 0.993 50 20 ICGD O=C(COC(=O)Cc1cnn(-c2ccccc2)n1)NNC(=O)[C@H]1COc2ccccc2O1 728329867 WVJXVNHSVYDMFX-GOSISDBHSA-N 437.412 0.340 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 740851207 UQWCSXKBBIRTQS-UHFFFAOYSA-N 433.490 0.370 50 20 ICGD O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742516044 XNUBOLGDHVWKSU-OHHBCXFOSA-N 440.481 0.662 50 20 ICGD COC(=O)c1cn(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)nn1 747371618 UDGYJZKBJPNOGK-FQEVSTJZSA-N 448.483 0.839 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F 747429412 NBEZVHZLJNUEEG-VIFPVBQESA-N 431.877 0.957 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)(C)C 748247504 QKLSUIDUPSMKHA-UHFFFAOYSA-N 426.495 0.155 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)c1 751268585 ABMWYTQVCPKFET-UHFFFAOYSA-N 446.434 0.316 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 756208173 YERULJIAHJAZCK-PWSUYJOCSA-N 434.902 0.988 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NNC(=O)Cn1nc(C)cc1C 756255733 BFVNEZBODLKODF-UHFFFAOYSA-N 430.465 0.834 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 758908035 MXQMSSHOIMQPRO-LJQANCHMSA-N 430.530 0.700 50 20 ICGD COc1ccncc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530871 JTUNQADABBBXFB-UHFFFAOYSA-N 426.477 0.388 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc2)CC1 763557110 VPHLTYCOEGEXNV-UHFFFAOYSA-N 427.436 0.613 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 763663423 IRMXMZCJPUAZQE-UHFFFAOYSA-N 444.444 0.327 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763675370 VLHYLYBMPKTKHY-UHFFFAOYSA-N 425.401 0.308 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763867982 ZKNZDBOHMLSMJX-ZDUSSCGKSA-N 439.432 0.614 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C 763932279 PBOACGFMYUIBFV-UHFFFAOYSA-N 438.893 0.933 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 764398048 CETOGRHEHYMLPS-CYBMUJFWSA-N 433.469 0.232 50 20 ICGD CCOc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765581985 BHLQATKPSLSQSV-UHFFFAOYSA-N 443.420 0.281 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCCCCC1=O 766653277 RZSCRNBZCFMKKU-UHFFFAOYSA-N 429.521 0.385 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)F)c(=O)n2Cc1ccccc1 768925984 KKNJIMBRCMNAKS-UHFFFAOYSA-N 430.440 0.323 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 769199429 FISYCOHYGYNECR-WRFANHODSA-N 434.518 0.696 50 20 ICGD COc1cccc([C@H]2[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC(=O)N2C2CC2)c1 776316394 JGOZBXVWRKEDFN-JXFKEZNVSA-N 440.456 0.918 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 778433467 MMTSUWXQYSFKEX-KBPBESRZSA-N 440.497 0.641 50 20 ICGD COC(=O)c1ccccc1NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 780733347 SNSIGEZDAREIDD-UHFFFAOYSA-N 435.238 0.822 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782885354 KBXDBQWDINVEOY-UHFFFAOYSA-N 438.444 0.869 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 782897377 ODARQQKGQNJSLL-UHFFFAOYSA-N 448.505 0.870 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Nc1ccccc1C)CC2 783411563 SWAOZTDTUPYGDE-UHFFFAOYSA-N 431.474 0.645 50 20 ICGD CN(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Br 786417169 NQSPYMHDCXXPRB-CYBMUJFWSA-N 429.271 0.012 50 20 ICGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(F)F)c(=O)n2Cc1ccccc1 786831709 ZDBJMVONPOIPJY-UHFFFAOYSA-N 448.430 0.477 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1N1CCNC1=O 787558778 XKRFLNQJTMQHMG-UHFFFAOYSA-N 449.471 0.740 50 20 ICGD O=C(O)c1cc(Br)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793447739 MZAZSGZFACXVMC-QMMMGPOBSA-N 444.267 0.311 50 20 ICGD CN(c1ccccc1)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cn1 797787624 XCSZPMBSTZXVEO-UHFFFAOYSA-N 439.501 0.884 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 798314372 IUROWJLNUGOHLD-OQHXTRMZSA-N 427.383 0.682 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(OC)cc2OC)c1 800596582 NXOVZZCVOAOLKS-UHFFFAOYSA-N 429.433 0.646 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c(C)cc1Br 806979104 MVIHCIKTABJIGJ-UHFFFAOYSA-N 438.238 0.677 50 20 ICGD C[C@@]1(NNC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CCS(=O)(=O)C1 807238048 QXUGFNHMIGOTOA-WOJBJXKFSA-N 449.533 0.793 50 20 ICGD O=C1C[C@@](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)CN1 811237008 SBVHMKDSENDRAN-FQEVSTJZSA-N 426.385 0.357 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2cccs2)cc1 812729954 XNNGDXAXMUMSOO-UHFFFAOYSA-N 432.549 0.810 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cccc(Cl)c3)cc2)CCN1 914458361 MOVYHWSKYDUMIQ-UHFFFAOYSA-N 436.877 0.535 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c1 914830055 SDLNUMIFFQVJMI-NWDGAFQWSA-N 436.412 0.155 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 916485947 OIYOPNKIMIVKQL-UHFFFAOYSA-N 430.284 0.830 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N[C@@H]1CCS(=O)(=O)C1 920745200 JAXWMSVQJOJVFM-GFCCVEGCSA-N 425.467 0.716 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778945935 RCVCUDAHCAGHJL-DYVFJYSZSA-N 428.276 0.426 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779721836 LQQSCWSHZSESDR-SFHVURJKSA-N 435.698 0.234 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1 1782213942 BIANDADLADYASY-NJNPRVFISA-N 448.568 0.639 50 20 ICGD O=C1CSc2ncc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1782421198 NFEVLBVIRQRBCM-UGSOOPFHSA-N 440.909 0.169 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnc2c1 1782487506 HASKJDDLHNCFHY-HSZRJFAPSA-N 448.288 0.080 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1783934215 AWKBLJOIKZIXTB-JOCHJYFZSA-N 445.495 0.443 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786984373 BGHJJYCDDXKITN-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984840 OZJDJUDQGFMYJT-QOKNQOGYSA-N 444.243 0.552 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCCSC1 1792198921 PTUQKAXDHUXXHN-NBMJBFSESA-N 432.351 0.103 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793092228 KRJZQEKJXZUSEL-HIRMHNASSA-N 438.908 0.595 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1)[C@H](F)Br 1794090402 UQEKEVNWAGCGRU-OPDFLTKYSA-N 440.335 0.046 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2)c1ccc(B(O)O)cc1 1795734241 KTOXWPXNQJFGTQ-XEMDLRDOSA-N 433.273 0.365 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1cccc(N2CCOCC2)n1 1796620309 WJCXORXEASBOKO-DLTLXFJOSA-N 426.876 0.656 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815123 IZTSENFQZHRUOR-ZGCCGWFYSA-N 427.574 0.957 50 20 ICGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CO[Si](C)(C)C)C4)CC2)CC1 1799194539 WGGNKBNSUSVPFC-IZZQQSIFSA-N 438.645 0.208 50 20 ICGD O=C(CCc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800179695 QIBBETYZKSKIEY-ANGCBRKESA-N 431.262 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1800978632 XTKRRMGNBOKWGQ-OXIQGZBJSA-N 442.856 0.455 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1800982440 GKMFAZGBVAKMMR-XGUBFFRZSA-N 445.944 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1801008857 FNRVVZMFNLARRA-VPTLXERWSA-N 447.492 0.100 50 20 ICGD CC(C)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCC1 1801608256 UJZQBCNPLLSCFH-JLVBRIDZSA-N 429.521 0.715 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)[nH]1 1803811583 HHJAFELOMFIJAR-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806052708 VDNXUDORVSRTEL-UHFFFAOYSA-N 429.326 0.126 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)c3ccccn3)C2)CC1 1809796908 RNZTWWBWINIWKT-FQEVSTJZSA-N 430.553 0.686 50 20 ICGD Cc1ocnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1811073356 ANHXQGIIIIMRQB-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cn1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1815545347 PMNCOUFQMDYXNE-AWEZNQCLSA-N 439.306 0.025 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818078479 GZNZRTDNSPJPPS-GFCCVEGCSA-N 447.456 0.720 50 20 ICGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1823833511 BMJXPYFBZHHBNQ-AZUAARDMSA-N 441.337 0.126 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825646493 CSETYAZBQRYKKT-SFYZADRCSA-N 447.311 0.382 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Br)CC2 1826319952 XSGKETPGEFHNMB-WPPNPWJKSA-N 445.270 0.671 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1829104433 XZMUQQQJBUMRGD-IBGZPJMESA-N 443.661 0.744 50 20 ICGD N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1829627845 JFQQHGANXUYEMF-WIYYLYMNSA-N 435.908 0.547 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831477748 CVVRMWHZHPOMDM-WBMJQRKESA-N 438.294 0.048 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(=O)n2O)CC1 1831872225 ROHKSCPBDVLSFE-QGZVFWFLSA-N 447.536 0.692 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1832294178 VQAIYYGOXFRTKN-QZTJIDSGSA-N 438.352 0.548 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1834826463 QPYMGEGBDUGNJX-IIDMSEBBSA-N 433.343 0.779 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171469 QQSSLSGQCSWIJK-BEFAXECRSA-N 437.884 0.053 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837762562 YYCJSAAVRREKEF-MLGOLLRUSA-N 439.818 0.703 50 20 ICGD N#CC1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1 1837922170 SPTUJAPSJNRILF-UHFFFAOYSA-N 439.321 0.672 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838383726 NSSJRUPOUFBNHX-WMLDXEAASA-N 446.976 0.946 50 20 ICGD O=C(/C=C/C1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839178387 ZUFIXDJUCAPIRS-CRAXIPPQSA-N 442.321 0.183 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840032454 YZQRFWGQNZXJPT-ZSZQSSIHSA-N 441.322 0.960 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840155255 VHIPMMXFMZSYLE-COPLHBTASA-N 431.686 0.387 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1F 1840681226 QGHHDDURZVDPGC-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(C)n3ccnc3n2)C1 1845640071 QMAQFXXWYNIUOT-CVKSISIWSA-N 448.487 0.989 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])c1 23393654 XAGOUNORMRBYDA-UHFFFAOYSA-N 443.463 0.520 50 20 ICGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1=O 726043643 ZBJYCACFAHIATQ-UHFFFAOYSA-N 437.412 0.397 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 726282178 KGMCGBWMOUAUSS-OAQYLSRUSA-N 435.444 0.842 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730541088 KSWVXSLJHHBEIX-CYBMUJFWSA-N 444.469 0.450 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)C(F)F)c1ccc(-n2cnnn2)cc1 730999127 RONCEKOPEPSVOX-UHFFFAOYSA-N 428.402 0.795 50 20 ICGD O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 732307822 NROJZLKRKXOKKY-ROUUACIJSA-N 429.498 0.610 50 20 ICGD O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 732975178 CSMNAXWBNINXPC-WCQYABFASA-N 439.881 0.869 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 733041202 UIODYZDOVPAXQJ-UHFFFAOYSA-N 427.508 0.209 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3ccsc3)n[nH]c2n1 734438131 HKSNJTIOLAKIDS-UHFFFAOYSA-N 435.539 0.349 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])c1 741204037 JGZNQGNSIOVDPC-UHFFFAOYSA-N 438.447 0.383 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 741659901 GLPSXEFJEBRXSF-UHFFFAOYSA-N 443.485 0.448 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(Br)c[nH]1 742036932 RAAZHZPPEGJPLS-QMMMGPOBSA-N 447.315 0.256 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1nc(Br)cn2ccnc12 750248742 ULODFYHSGOZTPM-UHFFFAOYSA-N 441.267 0.905 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)n2nnnc2C)c1 751206118 CSYOVQZCDUNIRT-OAHLLOKOSA-N 443.489 0.413 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nccc(OC)n2)cc1OCC 751324042 QZEGBBGWJZJLJN-UHFFFAOYSA-N 425.467 0.704 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2O1 751538837 OWGFPESTNJFTFM-ZWKOTPCHSA-N 448.453 0.703 50 20 ICGD CC[C@H](NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCOCC1 753061706 YTWYQPJYRXVJLY-AWEZNQCLSA-N 427.483 0.063 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COCc1ccccc1)OCO2 753840326 IUYYNPFSISFKLJ-UHFFFAOYSA-N 429.385 0.505 50 20 ICGD O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757247667 JMIAPNFRUPIOFK-INIZCTEOSA-N 440.522 0.611 50 20 ICGD O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccc(-n2cnnn2)cc1 758649768 HSUORMNUIAXVCP-INIZCTEOSA-N 434.460 0.655 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 758958160 RMKVAFPKIPRDEP-QGZVFWFLSA-N 429.477 0.631 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 761636476 HSKUNSLNJXYMQI-UHFFFAOYSA-N 429.458 0.194 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)n[nH]2)cc1 762954361 USLJVSVUSULSBW-KRWDZBQOSA-N 426.458 0.876 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(CN2CCCC2=O)c1 763570676 HNIPVTZCWWUOPV-SFHVURJKSA-N 438.440 0.735 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 763759822 CMIMNVSRLSSJAW-UHFFFAOYSA-N 426.477 0.692 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1S(=O)(=O)NC1CC1 764026141 VLMTURNJWXAXGU-UHFFFAOYSA-N 436.515 0.826 50 20 ICGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764154697 SYACHNOJZMQOON-QGZVFWFLSA-N 446.485 0.928 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764169429 WBABRRYIKFBMAE-QGZVFWFLSA-N 427.413 0.718 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CCc2ccco2)ccc1S(=O)(=O)N(C)C 764177073 JVDAEVNGPUDFRH-UHFFFAOYSA-N 438.462 0.257 50 20 ICGD Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)CNC(=O)c2cccnc2)cs1 764342091 CYQVLYYIVBXEGZ-UHFFFAOYSA-N 442.457 0.812 50 20 ICGD CC(C)c1noc(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 765733705 QGMXTIFPZGXZDD-UHFFFAOYSA-N 428.493 0.731 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CSc2ccccc2O)c1 768367194 FGLRRXLFTXDKTN-UHFFFAOYSA-N 425.488 0.901 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 768635856 KCHPWRKJALKTAU-UHFFFAOYSA-N 432.458 0.907 50 20 ICGD CCNc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 768919200 XTMJTJOPNAGEAQ-UHFFFAOYSA-N 439.519 0.671 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 773730638 IZOKCBIKFHSQOY-UHFFFAOYSA-N 448.505 0.988 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1 774009373 OMXCGSPVAXEPSI-SNVBAGLBSA-N 436.856 0.758 50 20 ICGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2C[C@@H]1C 777938922 HYULMPHTIBWPBU-NSHDSACASA-N 426.495 0.818 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)n1 784848577 UCEPNZMLRSHUSF-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 785226226 SEAKHKQALWLELB-UHFFFAOYSA-N 428.432 0.828 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2nnn(C)n2)cc1 787854227 PSUMELIRUJRQNF-NTEUORMPSA-N 435.448 0.181 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 791733388 LEDRQWSIXWILAR-UHFFFAOYSA-N 446.485 0.816 50 20 ICGD CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 793022293 UGJSGUPFEBMPHG-JTQLQIEISA-N 426.451 0.413 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(C)n2)c1 797370064 TYKVZSSTJLALCU-LBPRGKRZSA-N 433.490 0.867 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2([S@](C)=O)CCC2)cc1 798120937 DEPADCOXHVAAAT-MHZLTWQESA-N 430.552 0.247 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 804958542 BMBNTTGNGQOPPN-CYBMUJFWSA-N 430.469 0.621 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)o1 806978663 CMXYBMNZJRBNOY-ZIAGYGMSSA-N 426.429 0.385 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 811790386 JZXCIUJXTKGOJK-GFCCVEGCSA-N 442.384 0.713 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Br 815691416 PKLFBDTUUWTXFE-VIFPVBQESA-N 437.254 0.398 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913154127 HGTQBGCHYRWTAL-UHFFFAOYSA-N 443.489 0.409 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)c1 914575848 MWDWQWCQCAWJGA-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Cn3cccn3)o2)cc1 915058601 RBUMXHWEWMXBQW-UHFFFAOYSA-N 431.474 0.915 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=S)NC(C)C)N(S(C)(=O)=O)CC2 916125133 JBILPEPBFDMARL-CQSZACIVSA-N 444.579 0.856 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 917757850 AONFKSJKWKRNGD-UHFFFAOYSA-N 427.822 0.483 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)NC(C)(C)C)c1 919684849 LSZAZIJSGSDTBN-UHFFFAOYSA-N 448.567 0.196 50 20 ICGD CCO[C@H](CC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919975432 FVTWCTAZWSRRKQ-QGZVFWFLSA-N 427.523 0.603 50 20 ICGD CCOc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1O[C@H](C)C(=O)N(C)C 920384150 ISPMAXALUAGUMN-UKRRQHHQSA-N 440.522 0.761 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)NCCc1cccs1 920889039 JBMRFELMQLLQKI-UHFFFAOYSA-N 441.491 0.898 50 20 ICGD CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1339414883 SAFQUNZCVOSOKP-NWDGAFQWSA-N 431.540 0.280 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 1341633138 ITVUQWGXLDSRRH-KBXCAEBGSA-N 426.495 0.219 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1779029407 WYMSVFCDAXYRBP-HXUWFJFHSA-N 444.517 0.136 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783536619 LWOAWSJOWTVHSM-BZNIZROVSA-N 429.271 0.174 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(C)c1O 1783938071 RMWSOKUBJBKITQ-QFIPXVFZSA-N 432.521 0.826 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785692405 ZIRGLOXQXLIVLB-LEWJYISDSA-N 434.248 0.556 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1C 1786981056 NLBQKCIVNPFVCK-BVSLBCMMSA-N 436.317 0.890 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(O)n1 1791290955 UEWXUDWAXHNBKP-XIRDDKMYSA-N 433.509 0.062 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791554405 KEFOHOZJGSUKEX-VOAKCMCISA-N 446.371 0.908 50 20 ICGD CCOc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1OC 1792982937 WTBKLDDKIGFZTG-QOIOWGMHSA-N 440.924 0.826 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(Cl)n1 1794395821 KXYGHJAPRJOJKD-IGRYJHFFSA-N 448.867 0.665 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1nc[nH]n1)C2 1796892966 CJJUHNDRZOXHBM-BQELMUNXSA-N 444.521 0.669 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797321619 IKGXZTXSNGCXSM-LOUJCGABSA-N 437.928 0.627 50 20 ICGD Cc1cccc2[nH]c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc12 1797400488 VXVCEFFGQOJJET-FAQVEIGNSA-N 447.300 0.673 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798353492 ZAVDRYSWHYNNFO-MUJYYYPQSA-N 436.582 0.963 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344373 JQRBBSKVKLPRPA-FQPOAREZSA-N 427.292 0.173 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1800759653 ZCNSSSMHLPMYLE-XLFUENPSSA-N 426.315 0.650 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 1800974476 VJHZCHRGVWISDT-QJESEZNXSA-N 426.897 0.572 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)n[nH]c21 1801011188 MZZZRVFGMNTPET-VYGYDYRJSA-N 432.525 0.036 50 20 ICGD N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1806850745 BBRIXVHQHRBLRE-MAUKXSAKSA-N 433.472 0.703 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360486 BBPGMMZKKSYLFV-SZMVWBNQSA-N 429.232 0.736 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807362298 JZGYURHPGRLYSU-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369568 OTMGGBCRUDROLM-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071318 QYKQUWJFIWZXMU-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1813072780 KLAVSCFYDLBLOD-WWMYMODYSA-N 444.536 0.081 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1 1817472116 IYTNELQNTCHHEF-GOSISDBHSA-N 432.249 0.909 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819510788 QCQPHVHILGLGRN-WYIRRWHOSA-N 449.363 0.207 50 20 ICGD COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)nn1C 1822415413 ZFTXUMRZQQTRAC-OAHLLOKOSA-N 446.512 0.831 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1cccnn1)CC2 1826092291 XTGHRBQEFWULRY-LBPRGKRZSA-N 447.521 0.297 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826125465 CMJUQLSKXCAPFL-DZGCQCFKSA-N 449.363 0.163 50 20 ICGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Br)CC2 1826319951 XSGKETPGEFHNMB-UHLUBPPHSA-N 445.270 0.671 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829746594 PYKDBBLUILBIET-ZQIUZPCESA-N 433.343 0.777 50 20 ICGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)n1 1830357654 HZMWUMNEAJBJHQ-FQEVSTJZSA-N 442.944 0.865 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830358931 SDFXGWMQRHRUCC-IBGZPJMESA-N 426.901 0.820 50 20 ICGD O=C(O)CSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831882702 FWYWAOKNMOFJPB-SFHVURJKSA-N 448.350 0.418 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1832289471 IUYFBXVACJTJKT-QGZVFWFLSA-N 434.331 0.096 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1832818072 KTYINCVMADXPCT-VKNLVWNJSA-N 428.294 0.631 50 20 ICGD CN(C)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833308187 KYYYJEDDONWUNW-LJQANCHMSA-N 437.972 0.933 50 20 ICGD Cc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834156698 HXBYVQCWCSUXOZ-UHFFFAOYSA-N 448.568 0.850 50 20 ICGD Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)cn1 1834163170 LJBVQTBGIQGXBT-UHFFFAOYSA-N 445.568 0.343 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1)c1cccc(B(O)O)c1 1834801121 QDARSGKUAAFJJK-UHFFFAOYSA-N 449.360 0.794 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836394854 YHCSTXZJVFFHNJ-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(F)c[nH]3)CC2)CC1 1837921102 ZNKPXIWYTDTFHV-UHFFFAOYSA-N 443.284 0.760 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921364 DNMWWPCQBWGQFL-LJQANCHMSA-N 436.745 0.996 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839965196 QGEVIGFWOJIPSU-YJBOKZPZSA-N 443.342 0.891 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201928 QRIDVLXOCZCYAM-MLGOLLRUSA-N 443.850 0.529 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1840369122 BVFPEYKUZSLZTD-GOEBONIOSA-N 434.262 0.672 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c(C)nn(C)c2C)C1 1841708348 CIRZBVJZZWNOPG-OEAKJJBVSA-N 425.493 0.988 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16785989 HFKQPUAYKMJMCW-HNNXBMFYSA-N 441.465 0.679 50 20 ICGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 23157505 AQWAGRRNMKMLJO-VGSWGCGISA-N 436.424 0.367 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 104761830 ZZCVQXBGIMDKCU-UHFFFAOYSA-N 439.515 0.639 50 20 ICGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 726135400 JJPOAKNMVDMRNC-AAEUAGOBSA-N 434.971 0.758 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(F)ccc1Br 728545650 AZHLMYOWZHIOJR-CYBMUJFWSA-N 429.246 0.476 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 729275243 MOSKMHCUCOKFQS-YPMHNXCESA-N 430.914 0.277 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccccc1O 730782748 UCWGSULKGNDUKT-NSHDSACASA-N 427.866 0.939 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 734485606 OJJPGTBFCDQQIZ-OAHLLOKOSA-N 438.550 0.430 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 741092947 LBOGTAWDYVSFED-KBPBESRZSA-N 446.551 0.237 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1 742036441 KOMWCIJKDAVLOV-NSHDSACASA-N 427.458 0.069 50 20 ICGD CN(C)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 746012809 MJIMZUACGMLPKA-UHFFFAOYSA-N 426.495 0.551 50 20 ICGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)CNC(=O)c1cccs1 746196835 MAUDGNAHUSBBJG-LJAQVGFWSA-N 437.499 0.594 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1F 752521541 QDNPELMFQOVSRN-UHFFFAOYSA-N 442.494 0.931 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 756485437 FONOYMITVGSHCI-FQEVSTJZSA-N 449.467 0.446 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 756775040 GSXCUEGYZDFASJ-UHFFFAOYSA-N 442.461 0.570 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 762264890 CSSCDICVMRXMFM-HOTGVXAUSA-N 440.478 0.024 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)c1sccc1S(=O)(=O)N1CCCC1 762864988 HHHKUPOJAHDUFG-UHFFFAOYSA-N 438.535 0.916 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)CC1 763661233 LJZGAAXWMSJGCK-UHFFFAOYSA-N 444.492 0.713 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 763816806 QHEXBCWMNYTNMW-UHFFFAOYSA-N 447.464 0.103 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 763889052 VNAHBBQVENOALX-ZIAGYGMSSA-N 440.522 0.617 50 20 ICGD CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C1 763995032 DTDOFEIQTRNKKL-KRWDZBQOSA-N 440.504 0.591 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cn1 764164520 RIAYCYZYMOXZAR-HNNXBMFYSA-N 429.433 0.271 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764260291 PBOBHEFPSDUQCX-UHFFFAOYSA-N 440.460 0.574 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCCc3cccs3)cn2)CCN1 764339329 KCHCGZIZZKOIPE-UHFFFAOYSA-N 430.490 0.188 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)o1 764372851 VWFOQXCCIGCWRT-UHFFFAOYSA-N 434.412 0.845 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)ccc1Br 765915171 HAEOKUIDFHJXJA-ZDUSSCGKSA-N 438.282 0.472 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3Cc4ccccc43)CC2)cc1 766636713 SBXAXUUWAZPOHU-HXUWFJFHSA-N 442.541 0.789 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CSc3nnnn3C3CC3)CC2)cc1 766648046 IAYNKPIOZKNRNQ-UHFFFAOYSA-N 444.565 0.374 50 20 ICGD O=C(Cc1nc2ncccn2n1)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664172 ORHKKDVKIOBFDS-UHFFFAOYSA-N 442.911 0.285 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766865072 DYECGVJGRCJZNJ-SNVBAGLBSA-N 434.815 0.949 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(OC(F)F)n(C)n2)cc1 767046949 MNELKNJKEWCLTA-UHFFFAOYSA-N 431.421 0.412 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670162 RENSGWJLQXAWAL-LLVKDONJSA-N 434.405 0.987 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)OCC(=O)NNC(=O)c3cccc(C)c3)ccnc12 769853269 KDFBGBIDZFCVKL-UHFFFAOYSA-N 425.401 0.832 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1CCN(Cc2ccccc2)CC1 778613015 IAOUGHZDPHODLC-UHFFFAOYSA-N 434.541 0.659 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(-c3ccncc3)no2)[C@H](C)O)cc1 779512367 WNRRTYVLGTWZIG-WFASDCNBSA-N 432.462 0.611 50 20 ICGD COc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 782774200 RUWKGNYQQNLURH-UHFFFAOYSA-N 434.312 0.251 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(F)cc3)cn2)CC1 784790220 QZKMGGYETFJHGK-UHFFFAOYSA-N 436.469 0.384 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNc1c(Cl)cc(Br)cc1Cl)S(N)(=O)=O 785004305 KWSTYBRUDOZEJL-YFKPBYRVSA-N 448.126 0.992 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 785067874 QTKBMXBQXMHHHY-UHFFFAOYSA-N 444.451 0.873 50 20 ICGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 786687557 ICXFCQXIUWGMDC-LSDHHAIUSA-N 436.534 0.914 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 801108511 OKYROVRIELQXHG-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ncccc1F 804217057 QQYLMJUWDGYJOJ-AWEZNQCLSA-N 430.483 0.446 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)N=c3ccnc4n(C)[nH]cc3-4)n[nH]2)cc1 806978990 KKYMVFLSHSLBFR-UHFFFAOYSA-N 432.444 0.694 50 20 ICGD O=C(NNc1ncccc1F)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 807301402 IEOKVOWROYCAPZ-INIZCTEOSA-N 429.408 0.317 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 812731516 MNUDCTAHJYLKAU-UHFFFAOYSA-N 444.521 0.734 50 20 ICGD C[C@@H]1C(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCN1Cc1ccccc1 814877465 OWXMFJDULLGRGK-OAHLLOKOSA-N 437.504 0.590 50 20 ICGD CCC[C@@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 821132648 USLIAZYDCMSZJK-LBPRGKRZSA-N 434.540 0.584 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 912918908 GLGQPIVXTYZLMX-OKILXGFUSA-N 430.502 0.141 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 916462330 LBAPVWKRBQYJBV-AWEZNQCLSA-N 441.410 0.978 50 20 ICGD C=CCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 916559616 UOOMSKPYOZEWPZ-UHFFFAOYSA-N 442.563 0.786 50 20 ICGD O=C(NCC1(N2CCSCC2)CCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916616353 WYLOKDVWLQQJNU-UHFFFAOYSA-N 430.538 0.968 50 20 ICGD O=C(COC(=O)CCNC(=O)c1ccsc1)NNC(=O)[C@H]1COc2ccccc2O1 920083366 NZYAQYGGZIIKDD-OAHLLOKOSA-N 433.442 0.399 50 20 ICGD CCCNC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 921042389 QYJUERYJSOOYAY-MRXNPFEDSA-N 428.511 0.891 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNc1cccc(S(C)(=O)=O)c1 1337288742 IDPFQHFMHLFGRM-UHFFFAOYSA-N 435.506 0.807 50 20 ICGD O=C(c1ccc2nncn2c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778595842 LJJGTLOFYSYRKB-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)c(F)c3)CCO2)C1 1779032650 PVAWWDNXLQGIFJ-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1779037212 UBILTUFQKIXGNH-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779411649 PIWJVVIMPDOTKN-YAJHFMINSA-N 431.961 0.558 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@](C)(Cl)CCl)C1)n1cnnn1 1780716024 YMUIIDKIFSRCDM-NSNWQYSKSA-N 433.340 0.984 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1782146730 GRLHXIXAXXFCJX-YJBOKZPZSA-N 448.900 0.272 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCOC1=O)C2 1782175327 GYGBCGGXPUBMSL-QMTMVMCOSA-N 431.917 0.596 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783672624 FEAQGTGGSQGRBD-XUXIUFHCSA-N 433.347 0.268 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3[nH]ccc3n1)CCO2 1783935049 NJOVPWMLXFKMRI-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945805 BZDBOJRDQSPHMM-WBMJQRKESA-N 425.265 0.115 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1783974868 VZBCOVCRIAICOB-QMVSFRDZSA-N 429.319 0.245 50 20 ICGD CC(C)(C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccccn1 1784275490 RWVBOJVLCZIOSC-QHCPKHFHSA-N 437.305 0.183 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCOC3)C2)C1 1784812564 IJZVENCYOZOVGB-KTUMRIBQSA-N 445.520 0.767 50 20 ICGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c(=O)nc1O 1785354770 WSEQVXAKNOURNM-MSOLQXFVSA-N 447.319 0.324 50 20 ICGD Cc1nscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785798436 WWEHIHMZRFGVHI-NUTKFTJISA-N 444.517 0.357 50 20 ICGD Cc1csc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980049 CSEIGHPQCIDNIV-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791554404 KEFOHOZJGSUKEX-CYDGBPFRSA-N 446.371 0.908 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ncccn3n1)C2 1798440566 QJQVGRWMFBVPFS-BTTYYORXSA-N 434.460 0.293 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1C 1798970366 TWYYRHVULLBQBE-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801866628 CNCRCGCYDYIBLA-JGTCGTHISA-N 435.839 0.854 50 20 ICGD Cc1cnc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)cnn2c1 1802336913 BKHRIKGYIJOGBO-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)C1 1805382513 FEXYXQPEEOGDCU-QWHCGFSZSA-N 443.342 0.847 50 20 ICGD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805800077 HFTWSJIBZVYMPI-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CN(C)CCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806897085 YJUCVNRUHNCCDI-OXQOHEQNSA-N 439.520 0.351 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807360930 DEHKLTLYKAOIOT-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1811093173 VROWVUQPNOCHKS-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1812349510 NCJZUIKNRYOMQX-SUNYJGFJSA-N 435.868 0.262 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074884 XGVRISVFGUCLHX-PGRDOPGGSA-N 432.569 0.801 50 20 ICGD O=C(Cc1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814995594 KUHYZOYFQWEUBI-SFHVURJKSA-N 434.265 0.428 50 20 ICGD CCc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354731 BYOKAZYVRDODAK-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596396 CSTDNPVKBKSWRS-ZDUSSCGKSA-N 436.545 0.805 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccc(CO)o1 1819775787 BFYMJEVPDYGICS-KRWDZBQOSA-N 438.249 0.795 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792995 GGWJHKMKFHUSFO-MEBBXXQBSA-N 446.533 0.774 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819796766 FDEJGOHGIQGLBM-JTQLQIEISA-N 440.489 0.713 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719427 DEBOJSUULBZSSA-PXNSSMCTSA-N 444.887 0.651 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1830735243 DURULFLRXWREKQ-WOIUINJBSA-N 436.936 0.848 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(C)c1O 1830738642 RIWIRVMLFBJAHM-OXQOHEQNSA-N 426.897 0.679 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831340144 BEBSCYVQCPUKEM-JKSUJKDBSA-N 445.365 0.114 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833174170 SLLTVNZGTJWYHT-KSSFIOAISA-N 432.304 0.334 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572040 RCXMHHDVHXLMKF-QGZVFWFLSA-N 442.409 0.839 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823156 LKTVJELCTAJMCS-QGZVFWFLSA-N 429.315 0.882 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n[nH]1 1836280702 BZOYBBYSFWGRMQ-BBRMVZONSA-N 433.278 0.733 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836862691 UCSLITVGHCMFMG-QGZVFWFLSA-N 436.553 0.396 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926851 YDADDNSUBFOASA-PXAZEXFGSA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1 1838789919 JOZJXZMZHJDQCJ-KXBFYZLASA-N 428.917 0.788 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1839145788 QIISPXFYCSNADW-VFNWGFHPSA-N 449.891 0.909 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197910 LWZSIRCFQRPWLD-MLGOLLRUSA-N 447.261 0.246 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840150625 OQRVRVLXGNDDHP-DNVCBOLYSA-N 427.885 0.876 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840155810 IOKXGKJHPMKFOI-HEHGZKQESA-N 441.750 0.870 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1840156012 HCCJEDIQZZTVGL-RIFZZMRRSA-N 441.912 0.559 50 20 ICGD Cc1ccc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840187316 RYXMHKYULCDRRG-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366712 XZUZKQDMJLOMCL-SGTLLEGYSA-N 431.320 0.775 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840378848 IYAYGXFLHVNCDN-KRWDZBQOSA-N 431.946 0.618 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1840517940 WCXPKUQHWYXKTQ-UKVPQWCUSA-N 429.926 0.521 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nc1 1843014398 GDUOHDZNKGCKIY-UHFFFAOYSA-N 437.305 0.744 50 20 ICGD CC(=O)NCCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846009344 LSBZBYKJRMKTHA-UHFFFAOYSA-N 444.536 0.062 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1846362242 TXCCRRCTEBGIHZ-UONOGXRCSA-N 433.933 0.983 50 20 ICGD CN(CC(=O)NNC(=O)c1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 7493731 HTPMHDKYDMGGSP-UHFFFAOYSA-N 425.489 0.855 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 25433823 IPWNGWXQFMYBRK-IIBYNOLFSA-N 442.403 0.580 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)cc(OC)c1OC 726496789 KOOULAIGPHTIIU-LLVKDONJSA-N 434.449 0.727 50 20 ICGD CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728383624 BMTDXOONHHOOLX-BYKITBGFSA-N 442.538 0.095 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 728956960 DEMNFEOEWKHSII-UHFFFAOYSA-N 443.529 0.860 50 20 ICGD CC(C)n1ncc2c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(-c3ccco3)nc21 729274940 HVNMOWSOKQKEND-LLVKDONJSA-N 434.478 0.971 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730488309 KBEBLCRJAPLAMM-INIZCTEOSA-N 448.501 0.399 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(F)F)cc1 731185957 JXGZASSWQAAIIW-JTQLQIEISA-N 444.420 0.308 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 733211739 CZZDJTCRGKOSRU-KRWDZBQOSA-N 431.470 0.645 50 20 ICGD Cn1cc(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c(=O)n(C)c1=O 743831445 OUFDCOAYXXNRFR-UHFFFAOYSA-N 430.646 0.966 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(C)c1 745839473 QFPRFVYEJXJIOD-CYBMUJFWSA-N 436.494 0.146 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)o1 747714975 AIPBPYWOJGGXGQ-UHFFFAOYSA-N 434.474 0.727 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748111432 MKQUPVKWMSKNHE-UHFFFAOYSA-N 442.538 0.718 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 754534877 BNIWICAHVSJFKO-ZFOVBUMHSA-N 433.486 0.174 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756095222 MIYCNWYPSDNIIL-UCQBOQSVSA-N 430.436 0.731 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)COc2ccc(Br)cc2)n1 756310613 FSYGMGLQNCTRRG-UHFFFAOYSA-N 439.270 0.966 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 756837554 HPOCWBITYHASHY-BETUJISGSA-N 445.436 0.894 50 20 ICGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 761198359 OARPLAFBKUAZPV-ZDUSSCGKSA-N 434.474 0.671 50 20 ICGD Cc1noc(C)c1CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 762556755 QOWDAABYYOSSDJ-MRXNPFEDSA-N 426.437 0.913 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570392 DYIMDZJYBYFRGT-LIRRHRJNSA-N 440.456 0.838 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 763646644 JTNNUOMUNICCSZ-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccn(-c2ccncc2)n1 763943276 CGFMTGZJCIVNBP-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1C(=O)OC 764191713 BUSQQZOBLRQXFW-UHFFFAOYSA-N 427.413 0.979 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1S(=O)(=O)N(C)C 764199962 VJGIURUUKHQSBY-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 764268163 YFQOZIFYTNGVIM-UHFFFAOYSA-N 434.460 0.869 50 20 ICGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 764284308 ZZWBDWVIJCZOIC-CYBMUJFWSA-N 435.554 0.995 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CCCS2(=O)=O)c2ccccc2c1=O 767173758 CLIGNQRWFDFKFY-CYBMUJFWSA-N 435.506 0.718 50 20 ICGD C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)c1cccc(S(=O)(=O)N(C)C)c1 770373092 SKIJVHKOQFHLFT-JTQLQIEISA-N 434.482 0.707 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cn1 771263260 DACRDWVKRIPVGH-KRWDZBQOSA-N 449.265 0.411 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 771903533 QEVDYDHZRLUTEK-IUCAKERBSA-N 440.250 0.923 50 20 ICGD C[C@H]1CN(CCOc2ccc(CCNC(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@@H]1C 775455178 OXGDWOUJTWCYJA-HOTGVXAUSA-N 431.537 0.805 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 778594339 FABQOUZPKVXWNY-UHFFFAOYSA-N 448.524 0.945 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780364634 DKYHEZZPFCODNH-UHFFFAOYSA-N 441.531 0.888 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784210087 BROJGUXFJCHVLE-UHFFFAOYSA-N 432.458 0.996 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(O)c3O)CC2)cc1 790891556 ORHPEXMYOFPDSN-UHFFFAOYSA-N 448.501 0.174 50 20 ICGD COc1ccc(C(=O)NNc2nc3ccccn3n2)cc1S(=O)(=O)N1CCOCC1 791258404 VTYTURHQFIXUDS-UHFFFAOYSA-N 432.462 0.516 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2c1=O 793021292 BHTDECOTNOZXKX-UHFFFAOYSA-N 439.384 0.612 50 20 ICGD O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793449469 DGVUTSAOMWLVJU-ZETCQYMHSA-N 434.261 0.855 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 802025309 ACCOHPFIMAEPLK-AWEZNQCLSA-N 445.457 0.294 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(C)o1 806973253 HEMQDGCABXKHMZ-CABCVRRESA-N 440.456 0.693 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)C2=O 812729642 SEFBJARVGMUEJK-ORAYPTAESA-N 437.522 0.881 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(NC(=O)NN(C)C)c1 816405567 SWKCPJYYCNUXLZ-GFCCVEGCSA-N 448.505 0.689 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 821698907 KBMAIMZVTXNLEM-UHFFFAOYSA-N 445.497 0.646 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccc(C)cc2)cc1 913432256 MZAVRSQOXMPXRA-UHFFFAOYSA-N 433.490 0.491 50 20 ICGD O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 916096249 YUFWHXUYHRDAOM-UHFFFAOYSA-N 441.507 0.844 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)Cn3nc(C)cc3C)CC2)cc1 916235730 PZKAQKVDWNGTLA-UHFFFAOYSA-N 448.549 0.992 50 20 ICGD O=C(O)COc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916258192 MYYHPHFONWFXPM-UHFFFAOYSA-N 447.469 0.935 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2c1=O 916734854 RZZNZTWALUWTNE-UHFFFAOYSA-N 428.409 0.548 50 20 ICGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 917716856 FPXQPACLFMPMRM-QGZVFWFLSA-N 436.442 0.778 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 918096453 RUIHMTSIASCFHH-UHFFFAOYSA-N 427.461 0.897 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(F)(F)c2ccc(Cl)cc2)n(C)c1=O 1253163916 WHKJRKQMZOWKMS-UHFFFAOYSA-N 440.794 0.027 50 20 ICGD Cc1cc(CN2CCCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)no1 1318100514 DRLRFWJVPQZOGX-UHFFFAOYSA-N 425.453 0.521 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1779030720 VKUNYOPKSRIKJC-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1779032699 RVDYDWRCJOXMEE-LJQANCHMSA-N 433.852 0.689 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783535850 DAOJBPHTHLTXKT-CRAIPNDOSA-N 443.386 0.380 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 1783792613 LOOHCSIDUDGMSR-DEOSSOPVSA-N 448.328 0.932 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C[C@@H]21)[C@H](O)CCl 1784091321 NNUURAUDNLRECG-NXOAAHMSSA-N 433.896 0.460 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(C#N)c1 1784091979 ARSAATIQZWFKBX-FZDIXFNVSA-N 435.908 0.689 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784417899 IUYXAAGVIYVAFJ-HRAATJIYSA-N 449.577 0.765 50 20 ICGD CC(C)c1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)co1 1785543376 UJRKWNSYNCIXLJ-ZOBUZTSGSA-N 435.525 0.764 50 20 ICGD Cc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981080 PPBGBFWFSOSEHV-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n[nH]1 1786984889 VQSKJFSKOXMVMS-KNBMTAEXSA-N 440.309 0.120 50 20 ICGD COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1F 1791742979 CXPUFFIEFNGXBQ-KMCQBPLKSA-N 428.888 0.956 50 20 ICGD C[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1(F)F 1792155077 DSSIDVFQAGTQCB-TZMKYKESSA-N 437.447 0.324 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792867772 KOESSHZFVBNCJW-XQLPTFJDSA-N 429.359 0.889 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1792871912 DCIGUEIMJHMLQM-VWPFQQQWSA-N 430.343 0.620 50 20 ICGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)nn1 1795114831 AXNCRPPGYIKLOM-DRXBFXEBSA-N 427.299 0.864 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)n1)C2 1796892038 CIKYBIBSYUWUTD-AIUQWGENSA-N 441.448 0.274 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccccn1 1797754266 PBMJDZRTGDOMAJ-ZTENYAIWSA-N 438.488 0.087 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1799275256 NSUSUUDWMGMRLA-IMEWIIRVSA-N 442.303 0.874 50 20 ICGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)C(C)(C)C 1799342840 KUZNKACPGCUWEO-NDKCEZKHSA-N 436.322 0.817 50 20 ICGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1O 1799846863 DXHSYWAHNDICBB-RMHZUWNSSA-N 425.869 0.154 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1)c1ccc(B(O)O)cc1 1799929396 NZCQDFPVTNSVQW-XCZFOBESSA-N 439.321 0.019 50 20 ICGD C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800460331 ZVNUXWQOGHNKHM-RUIQPXLYSA-N 429.521 0.498 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1ccncc1)C2 1801009602 QYQAMTOHMGFJDH-OPMZPASUSA-N 431.537 0.367 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803135733 GPTLYTQKXGYSFZ-YZVOILCLSA-N 434.880 0.002 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)[nH]1 1803814515 ZZVGHXHIFZIIJS-KXBFYZLASA-N 448.487 0.745 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807191635 DRZXFZSZWPXTOR-DCDXPUDHSA-N 440.342 0.464 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807690737 HKEXFWWCGWVBTM-WBTNSWJXSA-N 425.327 0.595 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3CCCC3=O)C2)CC1 1809559683 QVRWIGHSRGQRHL-UHFFFAOYSA-N 442.520 0.152 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873245 TYQPWVCFVXKGGI-IMJJTQAJSA-N 426.949 0.637 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cccn1 1822799726 WQMVGQXUHGSBLJ-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378698 QOWQULAGMCDAOW-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826834781 ZJWDWPZLZDREMP-UONOGXRCSA-N 447.565 0.961 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1829091468 VAUGIYRKVLCECR-JXFKEZNVSA-N 441.337 0.290 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)C1(O)CCC1 1829743439 JTFSKOKMCSAECU-DVOMOZLQSA-N 437.306 0.684 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(Cl)n1 1830731506 KGKLETZSZPRUMG-UGSOOPFHSA-N 448.303 0.413 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732776 AORBBNSJUKOSJT-CRAIPNDOSA-N 449.287 0.421 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1ccnc1 1830981371 AFAHPUDEOLZBIH-WWGRRREGSA-N 433.278 0.591 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831643667 GEJHUUWLDAYDAI-HNAYVOBHSA-N 428.917 0.906 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cncn1 1832206426 PQIDCMYGCXUNNM-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832656507 XQCRTZRHDGUSKN-UGSOOPFHSA-N 443.294 0.950 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833451772 XMXRWLFGOHZNFL-HNAYVOBHSA-N 428.917 0.308 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833574532 GGBMVQNKDMOWCQ-PXAZEXFGSA-N 434.276 0.110 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1 1838789912 JOZJXZMZHJDQCJ-BEFAXECRSA-N 428.917 0.788 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198084 SIGPCDFHZAJTCR-CXAGYDPISA-N 446.273 0.851 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036039 NCAIFZWLQWCXSC-DHSIGJKJSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1840151104 VOFVPVGKBUBKAP-FTRWYGJKSA-N 447.960 0.247 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840156775 SXDJDVZIACHFKC-YLJYHZDGSA-N 427.929 0.979 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840156858 WPDGZEBDEXMONB-AUUYWEPGSA-N 434.917 0.286 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190003 XNDZAVICAQRMFB-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C[C@H](N)c1cccnc1)C2 1843415839 SQNPTULBCFAUDB-AEIQVQRHSA-N 437.504 0.809 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846364759 IJHUNESYSWFUGF-VLIAUNLRSA-N 445.944 0.816 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@](C)(Cl)CCl)C2 1846561256 IKYUKSSUJBLMLR-PBHICJAKSA-N 430.336 0.897 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)[C@@H](O)C1 1847237953 IMNSIJIGENJEKS-QXKUPLGCSA-N 445.944 0.406 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 727349905 BMHMQEDHHOFEMR-UHFFFAOYSA-N 438.469 0.802 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)Nc2c(I)cccc21 728435052 UMLWCLMEGNXFHP-ZCFIWIBFSA-N 436.231 0.001 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732261129 ATSHKOXLSAYYAI-STQMWFEESA-N 445.524 0.024 50 20 ICGD O=C(NCCNC(=O)c1c(F)cccc1F)NNC(=O)C1CCN(c2ncccn2)CC1 732995856 UFJUKPXURJTBAT-UHFFFAOYSA-N 447.446 0.732 50 20 ICGD CC(C)CC(=O)NCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 743335147 SEWXXQRYBQHKTN-UHFFFAOYSA-N 425.555 0.618 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2ncnc3[nH]cnc23)c1 743471403 FLWJLGGPYZRILR-UHFFFAOYSA-N 446.493 0.197 50 20 ICGD O=C(NCCCN1C(=O)COc2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 743512200 SKARLCLDNXDPJC-UHFFFAOYSA-N 436.432 0.422 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744709576 SIXAUFWAXLWMKA-LLVKDONJSA-N 436.471 0.291 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C2=O 746949472 LIOWGRVAOZTEDS-BIENJYKASA-N 428.555 0.616 50 20 ICGD O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1=NN2CCCN=C2N1 748013878 VDLSFEJABPQLPU-UHFFFAOYSA-N 429.444 0.674 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)c2ncccc2C)c(C(=O)OC)c1C 751550000 CBSDBRHRNCUOAD-UHFFFAOYSA-N 427.460 0.956 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1 755249757 LUTZVLNQIZZXGE-AWEZNQCLSA-N 428.511 0.422 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 756080132 LCZBECCGLBCRCN-UHFFFAOYSA-N 425.536 0.880 50 20 ICGD CSCCc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756333218 KQIRKLGYBHETLL-UHFFFAOYSA-N 445.505 0.192 50 20 ICGD COC(=O)c1ccc(NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)nc1 759724702 CZXDQKOWNCUPJW-UHFFFAOYSA-N 427.421 0.316 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(CC4(C)COC4)nn3)CC2)cc1 759956916 SJYILVNDDBTZLL-UHFFFAOYSA-N 441.536 0.202 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760280113 QYLJIJMKABCBRC-QGZVFWFLSA-N 439.403 0.996 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c(C)c12 760441723 CTJKBSAVCNGSRE-UHFFFAOYSA-N 434.497 0.873 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 763487519 UHWZCCLUFILZED-UHFFFAOYSA-N 449.556 0.969 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cn1C 763538531 CXPHKLPTVPHEGR-UHFFFAOYSA-N 448.432 0.627 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 763548530 MMHZWNPBMBSYKA-INIZCTEOSA-N 427.369 0.144 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C(=O)N1CCCC1 763569819 CFXIOYNDXUAMRX-SFHVURJKSA-N 438.440 0.849 50 20 ICGD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002864 UHRXRVLPVKITDD-JTQLQIEISA-N 432.296 0.587 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 764040356 GERVVQBYRLEWDA-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C)cc1O)CC2 764110551 QPUSDFRDDXXHRT-UHFFFAOYSA-N 446.485 0.349 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 764350733 JSGVUFIPNNXOIU-UHFFFAOYSA-N 449.471 0.812 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 764400985 RYPKVCFMDBKVGY-ZETCQYMHSA-N 446.388 0.755 50 20 ICGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCO1 764584376 QNHGCNBOMBHQJR-AWEZNQCLSA-N 426.543 0.425 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccoc3)CC2)cc1 765727934 JYCBTVKQJPYTFI-UHFFFAOYSA-N 434.518 0.675 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 766260340 FCLAYEZKMAJVPW-CYBMUJFWSA-N 448.505 0.988 50 20 ICGD CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640079 SBYSRURAWHGIBR-ILXRZTDVSA-N 448.524 0.059 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2c1=O 769225870 OAUIXNAEKSRAOP-UHFFFAOYSA-N 428.409 0.726 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 769766550 NUXRXHKHMHKUGM-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD O=C(NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 776972692 MPWLIAPISPABAR-KBXCAEBGSA-N 442.469 0.255 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCNC(=O)c1cc[nH]n1 779969972 QHOKIJPJDWBSLI-SNVBAGLBSA-N 439.270 0.700 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 782406550 YHSSGJVEYKZICN-UHFFFAOYSA-N 439.313 0.257 50 20 ICGD O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784817537 GGHJFZQRAQYLDA-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNc2ccnc(Br)c2)cc1 784837183 FLJVGDYWAYMJFA-UHFFFAOYSA-N 442.295 0.975 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cn1 790390370 PEGOPWKXCVOIKL-UHFFFAOYSA-N 441.535 0.608 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1cnn(C)c1 796450876 YGXRVNZKFZSNBB-GFCCVEGCSA-N 431.457 0.854 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 797369147 PEHIQPDAYMVZSR-UHFFFAOYSA-N 442.354 0.458 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)=NO1 798885977 ZGGCAMFZLIPJGJ-LBPRGKRZSA-N 440.478 0.521 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 803873118 UEOYVFOVTFSIHY-IUODEOHRSA-N 437.449 0.678 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccc4c(c3)OCCO4)nc2)CC1 813464486 WVJIMGROMQHGQY-UHFFFAOYSA-N 448.505 0.938 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccccn1)N(S(C)(=O)=O)CC2 913161859 ZRNZKYVJOIEHHQ-INIZCTEOSA-N 448.501 0.809 50 20 ICGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)c1nn(-c2ccccc2)cc1O 915257757 JQAMXEGUBCIMCM-FQEVSTJZSA-N 446.533 0.730 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 916247929 WFXJKMVDUBYHSR-UHFFFAOYSA-N 437.456 0.940 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 920006271 DGLXHBHHDCKHAT-UHFFFAOYSA-N 430.486 0.980 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c2ccccc2c1=O 933532596 DNRADKASBXQBBC-UHFFFAOYSA-N 430.424 0.613 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1341635007 RRJBEDNCLMUULD-ACJLOTCBSA-N 425.511 0.570 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779332601 JKDTVYUMOLTQDK-YCRNBWNJSA-N 444.337 0.067 50 20 ICGD CCN(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781455521 KRUUCMKDLKVICY-QXATTWAWSA-N 446.552 0.153 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782001561 GTXYSLIEYZFZGD-HBUWYVDXSA-N 447.374 0.657 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782212040 DNLNJSVJSJFFGS-XMSQKQJNSA-N 448.568 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(O)cn1)C2 1782214690 YQPIQZDOMQLIBZ-XMSQKQJNSA-N 447.536 0.217 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783347630 NHZHCPVWGZPRES-MEBBXXQBSA-N 430.259 0.935 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783678477 LKIYQJHVRIYLIL-FQUUOJAGSA-N 433.347 0.411 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091091 JNMMRZCCAKDKMS-IMIFBBOLSA-N 432.304 0.937 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1785682447 PGJMDRUKQQTLJS-UGSOOPFHSA-N 449.907 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786644362 NOWCARSUDUNZPP-UHFFFAOYSA-N 444.492 0.045 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1ccc(C2(NC(=O)Cn3cncn3)CCC2)cc1 1789522705 MLQSRRCEXMLNIY-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nc[nH]c34)C[C@@H]21 1791289386 WQZWXWIXCKMZQL-ZVZYQTTQSA-N 442.520 0.529 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 1791291497 XBOUTAAEISBUQD-BXWFABGCSA-N 446.504 0.382 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298165 FTWSEQBDEZWOAZ-XUXIUFHCSA-N 439.292 0.265 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791312719 PJFJTIXYULLECT-FTYOSLGDSA-N 448.211 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)c3ccccn3)[C@H]2C1 1791487602 LMIZBXJRRZDQHG-BZSNNMDCSA-N 445.564 0.712 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccs1 1791546408 CTSXUMVEPHQHIM-XIVBQZFQSA-N 442.346 0.825 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)cn1 1793110444 PIVKFNPDKAHTJV-QKPAOTATSA-N 429.926 0.478 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796892239 RCXNOBPFGHABAS-ARXWPJIVSA-N 431.497 0.206 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104396 OQEYOQBUJPPROD-DJBIQUGXSA-N 448.842 0.308 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(Cl)nc1)C2 1798440219 QTVBBVBUPPQFFX-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)s1 1799042806 GWJLQUJPOVSZIQ-DZJQYVJYSA-N 430.910 0.267 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc(O)c1F)c1cccc(B(O)O)c1 1800657075 ASGMAKAXQCIOJJ-QDMKHBRRSA-N 430.216 0.916 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)C1 1800754658 TWWUVLCTABXWOP-LWGJEFJTSA-N 431.327 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1OC)C2 1800973857 IAPJNSWLCXSVCR-KYHPRHEASA-N 425.913 0.866 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@@H]2c2cccnc2)O1 1803648115 MJAAPFNJXYMABT-RVMXOQNASA-N 429.246 0.886 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363712 FKJIMYOESAECON-SKRQURTPSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369787 VTKTZSIHGNMDTG-KNQAVFIVSA-N 445.288 0.114 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369906 YUXADDMTOWJZSC-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302151 HDUFMUPHZVBKJV-AYOQOUSVSA-N 439.520 0.398 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(Cl)Cl 1813081307 LXRUSWDFYLMNOU-ZBFHGGJFSA-N 433.336 0.178 50 20 ICGD O=C(CNC(=O)c1cccnc1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815782503 JWZBVLKPUQRDPQ-LSDHHAIUSA-N 434.884 0.827 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470433 QZMTXOALWVCHMF-SJLPKXTDSA-N 441.297 0.310 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476760 ZZCSBVCIIOACHP-ROUUACIJSA-N 440.309 0.969 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932778 PMLRNJCPBLWCPR-DFAYQTQMSA-N 433.282 0.685 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](O)CCl)CC3)cc21 1826196100 SGTFLMRIBKLZOZ-WBVHZDCISA-N 437.928 0.460 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cccn1 1826866853 ZWRQUHBHCPVVPS-OLZOCXBDSA-N 433.538 0.886 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827017471 JPHXJSXKUBYDJT-NRFANRHFSA-N 429.370 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cscn1 1834220560 QEOTYWNTKRFLDJ-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834732531 UDALDNTXSBEYJX-MRXNPFEDSA-N 429.993 0.416 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835766829 PXSWTYOWHZSCTE-YLJYHZDGSA-N 430.977 0.226 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)[C@@H](F)Br 1836413358 DAAIOXTWWHMPMO-QWHCGFSZSA-N 428.730 0.848 50 20 ICGD O=C(c1cccc(=O)n1O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714949 FLSSNCVTCQIDAH-INIZCTEOSA-N 427.885 0.298 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717083 HBAQTCZPRREJLB-XJKSGUPXSA-N 432.949 0.292 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837728174 VRSYUUVEUKUEQE-FRQCXROJSA-N 433.933 0.001 50 20 ICGD CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)co1 1839201213 ZMLLCKDJHIFOLS-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1839895839 YFHNWPBJMOGDPK-DYVFJYSZSA-N 447.326 0.427 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1840151516 FHXRNWUWWNCRGJ-YLJYHZDGSA-N 443.903 0.948 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840153221 HWLYHUNNWHDSMX-AGJWPYNWSA-N 430.933 0.168 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841657701 XCDWMQSRIOUMRF-MRXNPFEDSA-N 444.536 0.048 50 20 ICGD COCCOCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842776430 HCYCEXQACPESHN-UHFFFAOYSA-N 447.536 0.199 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1844692316 KFWDVCVDRBPSSA-UHFFFAOYSA-N 428.405 0.629 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)c2)C1 1845390844 GCFNJEMBONGSCK-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CCOC1 1847565412 PISFPGVLHLUUCP-WZFJYNIESA-N 431.917 0.472 50 20 ICGD CCN(CC)C(=O)CSc1nnc(SCC(=O)NNC(=O)c2cccs2)n1N 26095823 ZELFPPYQFVOVNF-UHFFFAOYSA-N 443.580 0.567 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 26154085 YTTLNZLKEKXNEK-UHFFFAOYSA-N 440.459 0.659 50 20 ICGD CC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 726751599 BMLMAOHNJZKZEI-UHFFFAOYSA-N 439.534 0.604 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(OCC(N)=O)c(OC)c2)c2ccccc2c1=O 728000012 JIEWGNWHTJYHBB-UHFFFAOYSA-N 439.428 0.364 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 728319884 HEPGJRQQCFBKNT-QGZVFWFLSA-N 426.429 0.826 50 20 ICGD CCOc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1O[C@@H](C)C(=O)N(C)C 730576146 BSHPFVVYEYOLSI-ZFWWWQNUSA-N 425.507 0.826 50 20 ICGD CCn1c(NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)nc2ccccc2c1=O 732056293 QNNWGQRPVOSTMA-GOSISDBHSA-N 442.520 0.573 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F 732756299 FEGLVDFWRLSONZ-UHFFFAOYSA-N 434.352 0.732 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)c1 735511703 BYWWDYNSIHEMBP-UHFFFAOYSA-N 431.474 0.627 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 740851784 VYGFMQWRIITBMG-UHFFFAOYSA-N 430.552 0.527 50 20 ICGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)c1cc([N+](=O)[O-])ccc1O 741773934 PHSSYPGBDNKXDP-UHFFFAOYSA-N 438.400 0.909 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(-c2cccnc2)n1 743845349 KGXOZHOLMMCIEX-UHFFFAOYSA-N 434.865 0.858 50 20 ICGD CO[C@@]1(C)C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 745935519 NEQFMDJMXYEXRL-KXBFYZLASA-N 440.570 0.847 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(Cl)c3)CC2=O)c1 746095153 JDVZFRMOMKEROH-LBPRGKRZSA-N 436.877 0.802 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 746550617 PYSPISURUYUWHV-UHFFFAOYSA-N 439.453 0.645 50 20 ICGD O=C(COc1ccccc1CNC(=O)NNC(=O)Cc1ccncc1)NC[C@@H]1CCCO1 747496221 TYBGVURRAKDHAL-SFHVURJKSA-N 441.488 0.829 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 750280470 PYMIDOZXCADOIU-CQDKDKBSSA-N 446.416 0.463 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)n(C)c1 751210176 ZGGZDWMNERAPHV-UHFFFAOYSA-N 441.535 0.308 50 20 ICGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 753669745 KDAXXVPQEDQILM-JTQLQIEISA-N 444.457 0.888 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 755187447 XDBZJOROCDCUNK-OAHLLOKOSA-N 448.476 0.507 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCCc1cccs1 763044751 RGDPERFZJHYQCJ-LBPRGKRZSA-N 438.531 0.684 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ccc1S(=O)(=O)N1CCCC1 763425399 JBQAODWBZFGVLT-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 763822148 WLWOXBUMEKRISR-UHFFFAOYSA-N 425.445 0.685 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n[nH]1 764105892 BDVSWWHGHRUARX-UHFFFAOYSA-N 436.494 0.442 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 764127979 WPVJBNRCYOYWSC-UHFFFAOYSA-N 433.428 0.866 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cnn1CC(C)C 764265618 BVKKFRIQDHXQOG-UHFFFAOYSA-N 442.524 0.894 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c(C)c1S(=O)(=O)NC1CC1 764297316 OALZKTYJNGTTOI-UHFFFAOYSA-N 434.478 0.175 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ncccc2C)c1 764389713 VNNTUGMTKYJDBN-UHFFFAOYSA-N 440.504 0.861 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(Br)c[nH]1 765737013 DECCPAJYNDBCQP-UHFFFAOYSA-N 434.294 0.996 50 20 ICGD C[C@H]1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CN(Cc2ccccc2)C1 767360367 LRVJXKRZOBQEPY-AWEZNQCLSA-N 430.534 0.585 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 767629089 HTLUVNCBBYDYLH-CYBMUJFWSA-N 430.442 0.229 50 20 ICGD CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 769584838 JIQINMKUMJJNNY-NSHDSACASA-N 435.485 0.229 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc21 770991932 URLYBWNEIQTPHE-LBPRGKRZSA-N 431.478 0.613 50 20 ICGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1F 773497019 SUKTUDTUKUHIJV-UHFFFAOYSA-N 430.440 0.935 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[C@@H]1OC 776526853 RKSVCQAXGHVXQM-BBWFWOEESA-N 440.522 0.608 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 777941925 YZQQLRZOORUBSL-UHFFFAOYSA-N 425.460 0.063 50 20 ICGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)c2)CC1 782117219 LQBVLPDLCCOUSZ-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD O=C(CSc1nnc2ccccn12)NNc1ccccc1S(=O)(=O)N1CCOCC1 782717615 FJEYMYYDJSTYEI-UHFFFAOYSA-N 448.530 0.986 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc21 782884531 BJJUTLLNIVHTQV-UHFFFAOYSA-N 449.471 0.898 50 20 ICGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 782897736 SUSTUZUMMXNUJS-UHFFFAOYSA-N 431.474 0.944 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ncn1 783945262 IWIVKJYXWPWTNH-ZIAGYGMSSA-N 448.505 0.665 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(Cl)nn3)cc2)CC1 784790004 RFFFJHHPYDTKGI-UHFFFAOYSA-N 447.883 0.507 50 20 ICGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 789585531 AKSJZRKDRBZQCR-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnn3CC(F)F)cc2)CC1 790000715 KEPVMQAMLIZBBY-UHFFFAOYSA-N 428.465 0.841 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Br 792268330 LYXNGKFTGHQJAV-LURJTMIESA-N 441.691 0.126 50 20 ICGD COc1ccccc1-c1ncc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cn1 792961658 XYLRYPUQEWKYNT-UHFFFAOYSA-N 441.473 0.187 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794061091 BEFULFXJOOQQER-UHFFFAOYSA-N 426.476 0.344 50 20 ICGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794065163 VESNUAVEVMROEG-UHFFFAOYSA-N 440.460 0.907 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 796992612 UIKUURORSPGSPI-UHFFFAOYSA-N 438.444 0.929 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)n1 799263365 NQMPGNQBPUTYOH-QGZVFWFLSA-N 425.445 0.708 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C 800747639 NGOPOEPSMUFGDK-UKRRQHHQSA-N 425.511 0.290 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 807371660 QVPOPHGCMGBWKB-IBGZPJMESA-N 436.465 0.399 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2c(nc1O)CCCC2=O 892835356 HUGVIQYCQOSJBP-UHFFFAOYSA-N 431.474 0.983 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917919809 XXWHKMWBEHTIRS-UHFFFAOYSA-N 425.916 0.209 50 20 ICGD COC(=O)C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)C(=O)OC 919698484 DKRCYSCHLRUUNS-CQSZACIVSA-N 428.445 0.878 50 20 ICGD NC(=O)[C@H]1CCCN(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)C1 1318132276 TWJSTLPMNJJKBK-AWEZNQCLSA-N 429.502 0.641 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779418251 UMOCMXNBKRCVQD-HGURKMLZSA-N 431.917 0.629 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1780716731 NWJJWIFPKDZFKN-NIKGAXFTSA-N 445.347 0.994 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937386 IAMFNVWIQDPMJP-OAQYLSRUSA-N 440.541 0.313 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785696149 ZDAURTUGDVGXGL-LEWJYISDSA-N 449.458 0.874 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)(Cl)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786985090 LLYKFPFJXNPZAX-UBHSHLNASA-N 449.527 0.330 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(Cl)c1 1789523366 PIPOVDNONYWYQU-VDGAXYAQSA-N 442.708 0.927 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nc1C 1791288529 AMRMIQHJOAFCLF-LNLFQRSKSA-N 431.537 0.665 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3F)C[C@@H]21 1791290704 MSEQYGIYBRIMTA-QRTARXTBSA-N 438.475 0.931 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1792872891 CVNWMCPPWJDCDF-JFILPPLUSA-N 427.299 0.476 50 20 ICGD Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794139502 FKINQDGITXSYJY-VPTLXERWSA-N 435.525 0.187 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1Cl)C2)c1cccc(B(O)O)c1 1795739874 MIEZVMIZXYFZTN-HBCWATKFSA-N 446.671 0.676 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3nccn13)C2 1798442822 HUGXOBQGBCOTQI-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1799221980 WFMAISDJNZJRSY-QDMKHBRRSA-N 432.433 0.908 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Br)C4)(C1)C2 1800704483 GHJLHGNOBWLOIA-MNBOIHFJSA-N 433.274 0.610 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(OC)cc1)C2 1800973575 IKWRZBXIADNBMQ-QOIYZWAUSA-N 426.897 0.917 50 20 ICGD Cc1noc(C)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369473 KYDKFWNEYSZELQ-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812310630 BTKIWZZQAAYGOE-OZOXKJRCSA-N 438.337 0.421 50 20 ICGD CC[S@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356679 KWYMKPYMJYMLNV-WYIRRWHOSA-N 449.363 0.207 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816626465 NLIAPOZHVSKZTQ-SMDDNHRTSA-N 449.899 0.909 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1cccc(B(O)O)c1 1820712620 HRXDJAGZIQTISY-LLVKDONJSA-N 428.235 0.056 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827144155 ILTCURALINDBDF-LJQANCHMSA-N 440.309 0.534 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830722867 HUOLOEUQVBGEAY-YLJYHZDGSA-N 442.944 0.288 50 20 ICGD Cc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830724635 AGFKBRJNMGSMNV-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830738598 QKDSEFURZKTSIM-QFBILLFUSA-N 430.860 0.504 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833482173 BZYCYQJGPSUFHE-DOMZBBRYSA-N 425.954 0.773 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1834422360 MYXJRLCKKITGTI-AWEZNQCLSA-N 431.331 0.451 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836934903 XOKPTSBASJODLJ-YWZLYKJASA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862515 ZJAHBFKFGLYURK-INIZCTEOSA-N 429.949 0.079 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838024755 NGFOMWATDDDQBS-DNVCBOLYSA-N 428.917 0.788 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071908 XXBARHQNXRSRKS-ZBEGNZNMSA-N 431.287 0.359 50 20 ICGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)cc1C 1838153015 ZXGJPJIXHDWULD-HNAYVOBHSA-N 428.917 0.535 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838479725 BGPSBLUQVAFBFT-IFXJQAMLSA-N 441.868 0.134 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839150180 DMTLEBUYXXLXSA-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1840152709 QGQOZWYRZPHHBZ-BEFAXECRSA-N 427.885 0.419 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840153729 YOQFODCRMNHUKB-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381491 MCMZHYVJUMWEPC-IAQYHMDHSA-N 448.343 0.137 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919995 YOBIIYOVRWVWKY-MFKUBSTISA-N 427.509 0.606 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 18144381 ZTFJOGFFIDREQR-UHFFFAOYSA-N 436.515 0.797 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)n(C)c1=O 24474337 NMRZEOXFBJBRSC-UHFFFAOYSA-N 444.517 0.615 50 20 ICGD O=C(COC(=O)c1cccnc1N1CCOCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728320002 GGWFINQHBLYHAG-KRWDZBQOSA-N 442.428 0.062 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)NNC(=O)[C@H]1COc2ccccc2O1 728342807 IILRWBAIJYGHLZ-MRXNPFEDSA-N 426.385 0.195 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 733758333 YQQSMFAVMDOFON-MRXNPFEDSA-N 449.423 0.996 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1OC 734686471 OLDQGXLFMZTJIW-QGZVFWFLSA-N 435.525 0.444 50 20 ICGD COc1cc(OC)cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117121 OFDXFLIFQFOMDK-UHFFFAOYSA-N 435.506 0.792 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1C 736788184 XKAFIULMPJYOAY-LBPRGKRZSA-N 431.536 0.737 50 20 ICGD CCc1nsc(N2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)CC2)n1 744422701 PINVURRFLPIFKT-UHFFFAOYSA-N 434.522 0.701 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744422835 AYWWXGWZIFGWQL-UHFFFAOYSA-N 429.502 0.538 50 20 ICGD O=C(NCCCc1ccccc1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619739 WOFQIXQNHZQVKZ-UHFFFAOYSA-N 446.529 0.900 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 745863518 WGTAULBIFFLQQK-FQEVSTJZSA-N 445.612 0.413 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746200612 NSOIGMJHYLUQDS-ZVRPKZHNSA-N 448.501 0.121 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746636628 DPLQZEOZNUZMPB-UHFFFAOYSA-N 437.456 0.812 50 20 ICGD CSCc1noc(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 746857011 LKMZXSHRAQAGOF-UHFFFAOYSA-N 446.533 0.471 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccncc3)c2)C[C@H](C)O1 747322617 FOAAWHCSBALGJM-GJZGRUSLSA-N 432.502 0.883 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3ccc(O)cc3)nc2)CC1 749346474 AQGCLEOYQDTOHS-UHFFFAOYSA-N 434.522 0.592 50 20 ICGD Cc1cnccc1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 755087908 BXDMHGDOMVILIH-UHFFFAOYSA-N 433.538 0.590 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)NNC(=O)[C@H](C)OCCOC)cc2)CC1 757582909 QPALOJILFOGRLX-INIZCTEOSA-N 435.525 0.597 50 20 ICGD C[C@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758027960 AXTKXEOLIPIYNK-LSDHHAIUSA-N 426.539 0.639 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=C[C@@H]1C[C@H]1C)c(=O)n2Cc1ccccc1 758364739 IBNBVUUGIIIMAD-WBVHZDCISA-N 438.488 0.812 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 761726413 PTXHLTJYMARBPV-HXPMCKFVSA-N 435.506 0.838 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CCO1 763569594 AGHDJOQEONDLQE-LIRRHRJNSA-N 440.456 0.838 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763863886 DYPHJJGFLSHJJR-LBPRGKRZSA-N 437.449 0.924 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763997218 YWVSZEPUZHVWCO-UHFFFAOYSA-N 435.506 0.762 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)Nc1ccc(F)cc1I 764025498 WLEFBGGNOUIREX-UHFFFAOYSA-N 429.149 0.620 50 20 ICGD CCOc1cc(Br)c(NC(=O)C(=O)NNC(=O)CN(C)C)cc1OCC 764203794 FDEJZIJLTIVBEJ-UHFFFAOYSA-N 431.287 0.894 50 20 ICGD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764205105 ZDZOIIYDRIKHSY-CYBMUJFWSA-N 436.488 0.286 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F 764228077 USLBZBRHINJLIJ-ZETCQYMHSA-N 442.441 0.207 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 764229937 FSYQXEZWURBZHC-MRVPVSSYSA-N 425.492 0.197 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1-n1cnnn1 764385130 SJXCMWSNEIZDJR-UHFFFAOYSA-N 437.445 0.822 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2F)c2ccccc2O1 764412027 CZZRPRSWCRNFOY-OAHLLOKOSA-N 434.811 0.780 50 20 ICGD COc1cccc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765735236 IMZKMVXPUYCIHR-UHFFFAOYSA-N 426.473 0.679 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 767025896 WMEGVCXEWQHHSD-MRXNPFEDSA-N 437.928 0.348 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1=O 768636003 NQTKHYNKIOMZHM-HUUCEWRRSA-N 438.550 0.875 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1C[C@@H]1C)N(S(C)(=O)=O)CC2 768966497 OOJDKXYVKBVEPL-WHOFXGATSA-N 425.507 0.756 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccncc3C)CC2)cc1 771415759 NFHMPPDNCCTXPS-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C#N)c2)cc1 773681479 VKYWVIULZVHORH-CYBMUJFWSA-N 431.474 0.953 50 20 ICGD CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777831620 FRPBOPMIPXKZIB-UHFFFAOYSA-N 440.341 0.498 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)cc(OC)c1OC 782121539 QMGFWGKRDJVPAS-UHFFFAOYSA-N 445.428 0.890 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1F 783427414 SQTMFHGNEUOBDY-QGZVFWFLSA-N 439.473 0.197 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cccc(N2CCOCC2)c1 785023346 GBOGUCPSXSTQOG-UHFFFAOYSA-N 429.389 0.537 50 20 ICGD Cc1csc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1I 786706929 HIZHUKRSODPQCQ-ZETCQYMHSA-N 428.273 0.857 50 20 ICGD CCN(C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1Cl)C(C)C 787548233 BVIGLZFCJLQDLN-OAHLLOKOSA-N 440.884 0.712 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2c1=O 793026886 UVTISVVFGVUNPP-UHFFFAOYSA-N 445.476 0.929 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1C 798310038 QSWHFANUGVVKDW-MRXNPFEDSA-N 440.460 0.580 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccccc2C)s1 798313223 SVYIMZFZWKMWPN-UHFFFAOYSA-N 439.519 0.824 50 20 ICGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 800055606 QXRMRKQJRHZXNP-SMDDNHRTSA-N 447.539 0.144 50 20 ICGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 805255306 PHSGBDOAWWTGPN-UHFFFAOYSA-N 432.466 0.739 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 806544275 AJWSHVFFRUACIF-UHFFFAOYSA-N 434.413 0.176 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1C 807514625 LAWVHPWLTKUOFK-AYHJJNSGSA-N 444.536 0.656 50 20 ICGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 808068208 NQVZIMPAWHOSHR-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccc3c2OCC(=O)N3)cc1 810256027 VJLPWYSTHGBECU-UHFFFAOYSA-N 447.473 0.799 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCS(=O)(=O)N(C)C 811852773 FZMJAJBNOAAYCS-JTQLQIEISA-N 437.316 0.438 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 812729556 OVHGDAHHEPHZEU-HNNXBMFYSA-N 430.486 0.899 50 20 ICGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 814360976 QSEFFMBVCBMHCC-GDBMZVCRSA-N 425.507 0.674 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)C(=O)Nc2cccc(C(N)=O)n2)c1 815865856 HKCSMIRCPQUHRD-UHFFFAOYSA-N 436.222 0.811 50 20 ICGD C[C@@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)C1CCOCC1 816509904 GLRYGNAIANFCNA-KBPBESRZSA-N 447.554 0.763 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)n(C)c2)c2ccccc2c1=O 912979277 BHTFXYBPQVFTBY-UHFFFAOYSA-N 433.446 0.637 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 916267549 VOKOUOZYZKNUTF-UHFFFAOYSA-N 438.492 0.270 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCc3nc(C)ncc3C2)cc1 916318832 ZODINHHRGVCOEQ-INIZCTEOSA-N 446.533 0.602 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c([N+](=O)[O-])cc1OCc1cscn1 919884909 UAJKONXFMIGUKI-UHFFFAOYSA-N 435.418 0.679 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778017749 UGGVSGURGHTGPJ-AUUYWEPGSA-N 438.557 0.867 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1778127160 VSDCCEOOHXKIJQ-QRWLVFNGSA-N 445.944 0.937 50 20 ICGD COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778232971 MDMDJZCNCKXYGQ-FRQCXROJSA-N 428.917 0.257 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778586658 GUBMIACUNZTAOP-NRFANRHFSA-N 428.493 0.151 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1779535232 MLRLCMYPGMZHCB-CTWCOEIASA-N 434.306 0.882 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1F 1780272078 MNMVMZDBBFKVKR-NFBKMPQASA-N 440.280 0.947 50 20 ICGD CC1(C)CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)C1 1782260448 FKQAQVPABHGFFC-AUSIDOKSSA-N 428.338 0.930 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783354448 AHOIGQNEEXRMIM-DYVFJYSZSA-N 427.299 0.247 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)c4ccn(C)c34)CCO2)C1 1783883809 YUATWHKMXGTUQT-QRWLVFNGSA-N 436.896 0.976 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cnccc3[nH]1)CCO2 1783934560 JCASOVVHYOMJOA-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785573179 VZROCHJLPGPDBY-BXTJHSDWSA-N 443.928 0.333 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn3C)[C@H]2C1 1786165406 ZGQKHUHJGJWDNK-RPIBGLMYSA-N 441.492 0.147 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786562193 DUPPXYIKFOMLDA-YYWHXJBOSA-N 447.495 0.330 50 20 ICGD COC[C@H](NC(C)=O)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1 1789661970 QUDMOSZDDXOWDP-SFHVURJKSA-N 447.536 0.645 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749014 GDJLWJHQDCEANH-IKOXMDCHSA-N 437.356 0.327 50 20 ICGD O=C(CCn1cncn1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1791793859 UDPIJNILUHXKRE-UHFFFAOYSA-N 433.277 0.796 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793372446 YCOIIKMFKSMUMC-PEBLQZBPSA-N 439.372 0.430 50 20 ICGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793803842 DQFSGMKYFGOTPX-VZAMPYOESA-N 434.306 0.669 50 20 ICGD COc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cc1C 1795364672 CBEWUAARGAIYAP-MUJYYYPQSA-N 438.488 0.963 50 20 ICGD Cn1ccc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c21 1795734591 UCFHVTHFYLUUBC-RMFSNUHRSA-N 447.300 0.375 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1C)C2 1796439568 LYLYSTSBUBQCCU-AFNXKQPVSA-N 444.536 0.194 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1797697284 HDHLGSDNTXZWDJ-HPCHECBXSA-N 433.347 0.457 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800394493 RKZJWAVJNRPZEP-XVIXHAIJSA-N 437.356 0.327 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccccc21 1801109949 DQCGSLOSKHBXFH-UDKICSLYSA-N 434.301 0.300 50 20 ICGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc(F)c1F 1801748848 XKPOMQUAJOZKNY-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD Cn1nccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805718557 SJGJKOSQOCFBHM-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805868477 NOINJRAGRKZJER-MRXNPFEDSA-N 429.326 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnoc2)[C@H]1c1cccnc1 1810303606 SUSWDCZJYANTPI-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810826558 ONFVWPHKRLISJZ-UTKZUKDTSA-N 449.272 0.480 50 20 ICGD Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cc(O)n1 1810923858 DNKKNSKZDUWJQU-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C2(F)CCC2)[C@@H]1c1cccnc1 1813681631 DNMTWCWEZDSKKV-MJGOQNOKSA-N 425.269 0.973 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cn[nH]c2)[nH]n1)c1ccc(B(O)O)cc1 1817470434 BHHLHWGVDVJZIG-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821659020 RKJZDCSCQJCJOC-OAHLLOKOSA-N 444.496 0.032 50 20 ICGD CCSc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720204 VBLSYNJOTSWMDM-BEFAXECRSA-N 443.953 0.863 50 20 ICGD O=C(CSc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725437 INRRDTZSCYQFPB-CRAIPNDOSA-N 429.926 0.230 50 20 ICGD O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727869 ISWFNRVEKCZQFX-YWZLYKJASA-N 440.880 0.128 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736668 VWHDQYANCSXECY-OXFYSEKESA-N 425.913 0.316 50 20 ICGD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832549038 CQGFGXLVCHJKLI-IFXJQAMLSA-N 449.932 0.221 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832805296 YRBDSJWLYPEWIY-HNNXBMFYSA-N 436.252 0.051 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1F 1833739886 PJTCPLNKJWHRPK-XIKOKIGWSA-N 432.880 0.435 50 20 ICGD CC(C)c1nc(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)no1 1833782513 WBWHAAHAYMHCJT-INIZCTEOSA-N 441.960 0.907 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnc(OCF)cn1 1833988939 YTYFLHLJDDGUFT-MRXNPFEDSA-N 443.907 0.567 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1)[C@@H](F)Cl 1835079441 XMFWLCYBHKLNGU-GOSISDBHSA-N 428.892 0.408 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)[C@H](F)Br 1836413717 MZHMDXNBBDPBPN-HNNXBMFYSA-N 449.321 0.701 50 20 ICGD O=C(c1ccnnc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837426861 GSQLECSPYHVQQK-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)ccn1 1837979977 XEYWZPJRZIAYAD-PBHICJAKSA-N 446.273 0.851 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1839967742 XCCDMOKGRQNEQA-CRAIPNDOSA-N 443.342 0.593 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840033774 PROBTZDNVNHHFB-YVEFUNNKSA-N 431.283 0.625 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840151664 JYOVQHKNSXSOES-VQIMIIECSA-N 429.876 0.473 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840156753 YZQWFTZUWZBYFF-QWQRMKEZSA-N 436.889 0.258 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840401354 VYWBNJRQPHIULM-CRAIPNDOSA-N 431.942 0.704 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840591114 LFVVQTGWIJDFDT-KMFMINBZSA-N 437.306 0.950 50 20 ICGD COc1ncc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1F 1844263670 GNYXKIVYZDUUDB-UHFFFAOYSA-N 428.424 0.359 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2ccccc2o1 1847424482 XKXKDNFJBBRBDC-IRXDYDNUSA-N 447.451 0.921 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 10159630 OLWQJIVHZSSPGM-UHFFFAOYSA-N 435.448 0.608 50 20 ICGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NC(C)(C)C 728180273 QXLBKHAWWLVGDE-AWEZNQCLSA-N 447.579 0.878 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2F)CC1 730134071 MBXUFSUGURHNOM-IBGZPJMESA-N 427.546 0.849 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)COc2ccccc2O)n2nnnc2C)c1 730780251 RTAWTFVPXVJNRQ-INIZCTEOSA-N 426.433 0.706 50 20 ICGD CCCOc1ccc(C(=O)NNS(=O)(=O)c2n[nH]c(C)c2C(=O)OC)cc1OC 732045053 AAFKXEGQMBEQLB-UHFFFAOYSA-N 426.451 0.925 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C3=NNC(=O)C3)cc2)cc1 732260667 YDAKRAJYYBTPDR-UHFFFAOYSA-N 443.485 0.453 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(C)CC1 732912870 OHKHLPMPPNJGBA-QGZVFWFLSA-N 448.527 0.842 50 20 ICGD CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)NNC(=O)c1ccc(C#N)cc1 742449047 FQXIHOIJLSSTBI-UHFFFAOYSA-N 429.506 0.777 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 742481384 VRBXRDOKGHRJAJ-DTTOXWODSA-N 431.445 0.407 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(c2ncnc3ccsc23)CC1 743576860 KVABGEZWMUKFGR-UHFFFAOYSA-N 429.462 0.577 50 20 ICGD COC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1O 745653166 PETICMDQTSOBOI-INIZCTEOSA-N 445.384 0.715 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](CC(=O)NNC(=O)C2CC2)(C(=O)NNC(=O)C2CC2)C1 746092956 IXLVCKABJXSRKE-FQEVSTJZSA-N 437.497 0.119 50 20 ICGD CC[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)N1CCOCC1 753057863 OCUWFMWRIRDIKG-IBGZPJMESA-N 446.552 0.167 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 754513314 QVPTXJHDCDEIBC-PKOBYXMFSA-N 435.477 0.310 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1Cl 763574761 HZOIZQYIGBHPAO-MRXNPFEDSA-N 446.847 0.968 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)c1 763618615 DJZKAKFDFHETDA-UHFFFAOYSA-N 425.489 0.912 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 763660539 BBOSRZXHKBDVKW-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763729030 SYHVLBXNBPVETQ-UHFFFAOYSA-N 448.476 0.768 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1NS(C)(=O)=O 763758815 VBJSLMRKHVPMNI-UHFFFAOYSA-N 449.489 0.532 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)cc1 763833784 HDYIIAFBGFJFSI-UHFFFAOYSA-N 447.469 0.839 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763865116 IPDIEXDRYSXOPS-SJCJKPOMSA-N 445.403 0.708 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 764002410 MDKIOQTTWVFVRR-LLVKDONJSA-N 427.454 0.668 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 764162749 FVJYEECWWNHASM-KRWDZBQOSA-N 436.424 0.425 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764362360 FCIKFXJPVDIHJK-UHFFFAOYSA-N 434.474 0.206 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 764401859 YESIXTZGARSXFF-CYBMUJFWSA-N 427.417 0.883 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3ccco3)CC2)cc1 765729949 BRFZNJRHHCIRJS-RMKNXTFCSA-N 432.502 0.755 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 766991162 ZNONGOBXCPMMMW-ZDUSSCGKSA-N 434.540 0.205 50 20 ICGD Cn1ccc(N2CCC[C@@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)n1 770402022 PZRUDMKDLISHPN-GFCCVEGCSA-N 442.484 0.842 50 20 ICGD CN1CCN(C(=O)NNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 773674066 RTOATCCYPIXCDE-UHFFFAOYSA-N 433.328 0.352 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2cccc(C(F)(F)F)c2)cn1 773739923 HHBOYYZKGKAKHT-UHFFFAOYSA-N 428.371 0.746 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C(N)=O 774008099 FPPFPRSJBOBIMW-SECBINFHSA-N 435.824 0.396 50 20 ICGD CCCc1nc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 777016684 DBBFQJJAKQYRKU-UHFFFAOYSA-N 434.482 0.004 50 20 ICGD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 782399005 RLLGBOAREJMTAI-UHFFFAOYSA-N 428.286 0.583 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783427055 PPEOCJNVAMVFJA-SFHVURJKSA-N 427.479 0.397 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785059880 CKZRMKVFRPSTGV-UHFFFAOYSA-N 425.401 0.458 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)nc1 792393576 LYDIBBSAKLWSIC-UHFFFAOYSA-N 445.461 0.855 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCN(C(C)=O)C2)nc1 793320496 URGFDOKYSHPPRH-HNNXBMFYSA-N 426.543 0.997 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc(Br)cc1[N+](=O)[O-] 797534976 IRUJJPKTRMDOIV-NSHDSACASA-N 431.199 0.167 50 20 ICGD NC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 799124142 PWXVKJPTRMUWST-UHFFFAOYSA-N 440.865 0.675 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCC2CCCCC2)c1 800622376 CAOQPCUDLHHTCZ-UHFFFAOYSA-N 431.493 0.609 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@](C)(O)CO)cc1 801974893 INNBCRVJPIVPDJ-VYARXKNBSA-N 427.461 0.201 50 20 ICGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807923009 BAWJALFQPLTZHZ-ZDUSSCGKSA-N 427.479 0.058 50 20 ICGD O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1ccc(-n2cnnn2)cc1 917924906 CBSNKQMQVWSDOW-UHFFFAOYSA-N 425.474 0.850 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc(F)c(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 917994178 MZBYLANIMLYHPP-INIZCTEOSA-N 449.366 0.225 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cn[nH]c2-c2ccc(Cl)cc2)c(=O)n(C)c1=O 1317809415 TWCUFWYDCXOGDU-UHFFFAOYSA-N 433.881 0.765 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1778769671 NQZQEXWGRBEVKS-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389201 NPWVGDLUGZGQNT-ZUZCIYMTSA-N 430.259 0.935 50 20 ICGD Cc1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)sc1C 1779941218 CULRDWXPBJXRDT-FQEVSTJZSA-N 429.307 0.197 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780098755 UPIHKXNXDHELHF-HXUWFJFHSA-N 445.384 0.052 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1781531101 YYSDKBCBEVZFOI-CPYOPQHUSA-N 442.346 0.369 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1781998477 XCFVTDYFRLHCFK-ILMHXZGMSA-N 443.298 0.799 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1782179864 WDTDVIDQRFFAQP-XKGFGPFHSA-N 445.004 0.390 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1782179868 NUXLXBJLJTWYDS-TWKYDXJASA-N 434.917 0.370 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CCO2)C1 1783876469 YDGBIFYPHAQZSD-HRAATJIYSA-N 448.907 0.700 50 20 ICGD O=C(/C=C1\C(=O)Nc2ccccc21)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788532640 ZLJPRJHDVGEZIB-SQXXHLCCSA-N 433.892 0.602 50 20 ICGD CC(C)(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NC(=O)OC(C)(C)C 1793012291 PCZPKBWLPXGPMQ-HLPPOEQASA-N 447.960 0.869 50 20 ICGD CC(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795071431 SWKMYZBFFNQROM-OPVJXMOQSA-N 431.537 0.578 50 20 ICGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1795075185 WANVGLHDKMPSSL-NPDDRXJXSA-N 436.317 0.763 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1COc2ccccc2O1 1796188293 MSWDGQHPTPOEOE-BMQTXXJKSA-N 436.273 0.458 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCSCC1)C2 1796444112 ADDQZKRKEDESOH-CBKYIJDSSA-N 447.561 0.853 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(cnn2C)c1 1797085704 KLQVYKQCQCQOCG-UPHUGPLXSA-N 442.520 0.150 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889239 BYZJWSUFKODOLG-JPVZDGGYSA-N 429.304 0.846 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c(C3CC3)c1F)C2 1798440671 ICOGGQOUOILEBV-CLLJXQQHSA-N 441.467 0.990 50 20 ICGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)c1ccc[nH]1 1799344703 RZAZYWMIBLDKSO-BAESOJJISA-N 445.289 0.415 50 20 ICGD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800906836 KCIXYLNYGIEKRE-IFOZYUSPSA-N 443.909 0.876 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801284017 OFJPHUDENYYHCB-WTNVTLLGSA-N 439.944 0.454 50 20 ICGD Cc1cc2nnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)c(C)n2n1 1802335986 CUJMYNBGYLOIMV-MUJYYYPQSA-N 442.524 0.366 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)Br)C3)c(=O)nc1O 1804097855 XDEVDPZHKVLAKM-FVCCEPFGSA-N 427.299 0.679 50 20 ICGD Cc1ccn(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1804621699 OHBNZTRDCXANEF-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1805899639 GRENGIBIUFWADT-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807026058 PCURMJHGZFMAJB-OFQRWUPVSA-N 432.845 0.830 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362891 MNCZWJMGHGVAFG-FPOVZHCZSA-N 430.273 0.790 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371405 UFZOMNGXCQYXLO-KNQAVFIVSA-N 438.337 0.469 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1 1808253465 ZTWONWPWLKTMBF-MGPUTAFESA-N 448.487 0.366 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1810297182 BBFIOXNNPSOQSX-YJBOKZPZSA-N 433.472 0.703 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810310059 UFZJIRFMMBIYPS-SQWLQELKSA-N 427.958 0.171 50 20 ICGD CC(C)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810432584 GQBLIZULOCFNGT-LKUPVBHCSA-N 439.321 0.895 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1 1813072829 KUQUZGJAQACNQQ-UWJYYQICSA-N 437.504 0.974 50 20 ICGD CC[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810235 MKXUATAFNBHAJK-GUBZILKMSA-N 446.371 0.821 50 20 ICGD Cc1cnn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)c1 1815754975 FNXGSMOIACFVNT-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818136002 SCBHMGDTVLWDKJ-HNNXBMFYSA-N 435.529 0.547 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825998115 CGUKULXNECORFN-STQMWFEESA-N 437.714 0.303 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829813013 SPVKPOWZCIOOQE-QIIPPGSGSA-N 445.310 0.800 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008594 BZHRWMKRSJTCDF-KXBFYZLASA-N 446.386 0.958 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719290 BPDSLCXPEPAWIJ-PXNSSMCTSA-N 446.878 0.954 50 20 ICGD N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(Cl)c1 1830733976 XJXFPIVPFKUEGH-VQIMIIECSA-N 442.299 0.881 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833264628 LVFGNWWFOXAZOG-AWEZNQCLSA-N 434.375 0.598 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)c1F 1833667035 HFABYDMCORMXII-DIFFPNOSSA-N 447.305 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833671402 WDFDLSMZRGHNQT-SFHVURJKSA-N 430.977 0.680 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1834530353 FLRPLJNDVLSXJM-CJNGLKHVSA-N 447.261 0.246 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)c1c[nH]c(=O)cn1 1836140203 CZGQKXOTEBAUCK-HNNXBMFYSA-N 444.305 0.646 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1836946430 JRJWRTROVJISML-UHFFFAOYSA-N 441.492 0.334 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862338 HXTKYCOZPPAQIE-ZDUSSCGKSA-N 444.374 0.608 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1839142474 QBHGUIUUTTVFIQ-AUUYWEPGSA-N 443.953 0.952 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150334 JPZUYANYUWRERL-ROUUACIJSA-N 438.352 0.594 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197743 HLSNPWBLXJIYCJ-ZFWWWQNUSA-N 425.251 0.087 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1840150002 CTDKVTGPVQYLAI-YLJYHZDGSA-N 443.928 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1840152619 NKRMWHFNIDHWLW-KSSFIOAISA-N 429.905 0.183 50 20 ICGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)c1ccccc1 1840187913 DTLVDTGPOHCAGI-HNAYVOBHSA-N 430.332 0.989 50 20 ICGD CC[C@@H](NC)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1843005013 LIWSXLYSLSSWFV-GOSISDBHSA-N 430.553 0.534 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)OCCO3)C1 1843628640 UIJCRUNWLSAALA-UHFFFAOYSA-N 437.456 0.587 50 20 ICGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](Cl)COC)C1 1846364626 BROAGEJZLFFTFG-MRXNPFEDSA-N 436.933 0.140 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16786000 QCJCLVPMCMURMB-BCFZYGEVSA-N 426.539 0.227 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2csc(-c3cnn(C)c3)n2)cc1 107923963 LTQZBVOCRQLHSI-UHFFFAOYSA-N 448.530 0.934 50 20 ICGD Cc1cccnc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729621959 KCUMOEKTWOFPPI-UHFFFAOYSA-N 433.490 0.555 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 732196018 VILUXEMOOJNMMR-LBPRGKRZSA-N 447.355 0.701 50 20 ICGD CO[C@H](CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F 733662249 ZHQHYMQREZSRSW-CYBMUJFWSA-N 438.428 0.992 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 735449645 JMCPNDVBLGXSMY-UHFFFAOYSA-N 449.489 0.053 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 735460997 DUZAJJVBBVDKCY-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)COc2ccc(C#N)cc2)C(=O)C1 741206397 DBAAKDWGVUXLHR-UHFFFAOYSA-N 431.449 0.164 50 20 ICGD CSC[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 746553387 KBGWBMRBOJKFPD-HRCADAONSA-N 443.529 0.931 50 20 ICGD Cn1ccnc(NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c1=O 747945659 NYZFURXIQNPWNX-GFCCVEGCSA-N 441.897 0.648 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 751283590 YEZAIJKCEFVGOF-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 753287247 HHEXGPKEFFZEEN-VIFPVBQESA-N 435.256 0.797 50 20 ICGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1nnc(O)c2ccccc12 756099488 WQMUKMOIYYCLFZ-GVARAGBVSA-N 436.428 0.087 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1 756390276 GRQLYQSQWTZMPK-UHFFFAOYSA-N 429.433 0.776 50 20 ICGD O=C(O)c1cc(F)c(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 756938287 FZJUVTQANOOBCS-UHFFFAOYSA-N 441.416 0.679 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1C 757671512 MTQAXZIJEUJAOT-UHFFFAOYSA-N 437.478 0.594 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 758037066 XURZQRLGNVRDHX-BXGCZWRVSA-N 434.877 0.084 50 20 ICGD Cc1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1c(Cl)cccc1Cl 758043091 FHWGLRYNJVZCTP-SSDOTTSWSA-N 435.293 0.581 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1=O 763646177 CLRSDHSKGIVSKK-UHFFFAOYSA-N 444.444 0.193 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 763679616 AZKMQVZYZYHSRA-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1C 763963042 XUJOWGYGKLUEDR-UHFFFAOYSA-N 440.456 0.876 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 763979893 NUCYQSQIZQDJDN-UHFFFAOYSA-N 433.490 0.897 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764067884 AVQDQNKDWVEVEA-UHFFFAOYSA-N 441.488 0.776 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 764125321 UBSYYSVRWKSGMF-UHFFFAOYSA-N 447.455 0.925 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)o1 764138314 BKMJBHJFJLAOTQ-UHFFFAOYSA-N 440.464 0.805 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1Cl 764177426 NDNMJCHCCOZWFR-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231118 MQCWIAOPXZPQMI-LBPRGKRZSA-N 430.552 0.660 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccncc2)c2ccccc2O1 764354875 ZERATABWOPISBO-KRWDZBQOSA-N 425.445 0.092 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)CSc1ccccc1OC 764397612 KWLDRHPLQPUHSX-UHFFFAOYSA-N 435.462 0.484 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 764425726 RQTUBROLLKPNTF-ZDUSSCGKSA-N 441.366 0.452 50 20 ICGD O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765732268 HAULBAVSXVHRNK-UHFFFAOYSA-N 441.444 0.579 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCc1cnc(N2CCOCC2)c(F)c1 765891437 KQKNNTIDGKWRRT-UHFFFAOYSA-N 448.411 0.875 50 20 ICGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)S1 766664460 QRUXYNUEMHCMLD-CQSZACIVSA-N 438.941 0.161 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 767944242 XJTVAQHKXQLRCU-MOPGFXCFSA-N 445.568 0.791 50 20 ICGD COc1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c([N+](=O)[O-])c1 768332120 NYXGOWHGLSYLKF-UHFFFAOYSA-N 426.407 0.974 50 20 ICGD CC(C)C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 770980601 RNDPYRGAIVRGBA-SGMGOOAPSA-N 427.465 0.878 50 20 ICGD Cc1cc2c(N3CCC[C@@H]3C(=O)NNC(=O)CNC(=O)c3cccnc3)ncnc2s1 771046034 QOYXYFXRJWMWJQ-OAHLLOKOSA-N 439.501 0.941 50 20 ICGD CC(=O)Nc1cncc(C(=O)NN=C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 772844237 MFMJQAHAMHRNPH-UHFFFAOYSA-N 433.494 0.950 50 20 ICGD COc1cc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 777598056 ZWSAZUYIEFWQOY-UHFFFAOYSA-N 434.434 0.311 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 778682512 JQLIRMPINZEHNR-OWCLPIDISA-N 431.493 0.999 50 20 ICGD COCCN(C(=O)CN1CC=C(C#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 779589262 FLHBUIIDWKTHLW-UHFFFAOYSA-N 438.488 0.714 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1 782120915 HYMXZPSWCIFSKY-MRXNPFEDSA-N 429.385 0.408 50 20 ICGD CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C 786230867 KTEQRDLQOIKTGU-WQRHYEAKSA-N 439.520 0.911 50 20 ICGD C[C@H]1CN(C2CCOCC2)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 787857327 GPUHIXOHRRNXBE-INIZCTEOSA-N 431.541 0.619 50 20 ICGD CO[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 791444723 JANOTRISBWYTKG-SFHVURJKSA-N 425.507 0.213 50 20 ICGD CC(C)[C@H](NCC(=O)NNC(=O)c1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 791622871 FURVPMAGSUPUAZ-IBGZPJMESA-N 427.509 0.258 50 20 ICGD CCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)s1 792213624 WMRNQLVAMBNQSD-UHFFFAOYSA-N 430.533 0.864 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792395008 XAJUHQXUUROYLC-UHFFFAOYSA-N 429.462 0.618 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCc2nncn2C1 793451509 UKPSPPCEPGDBRU-QMMMGPOBSA-N 445.255 0.521 50 20 ICGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 794598885 OLPWAEZPNXVLGN-UHFFFAOYSA-N 448.457 0.850 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 797368935 JINGMPQPAILGRI-UHFFFAOYSA-N 442.354 0.458 50 20 ICGD N#CC1(CNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 797581504 VXRSFFFPTXYKIM-UHFFFAOYSA-N 435.506 0.274 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NN(C)C(=O)OC)CC2)cc1 804122134 XKTOEUZOMRSJFJ-UHFFFAOYSA-N 427.479 0.993 50 20 ICGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 806975784 OQSGJCLQFWTERL-UHFFFAOYSA-N 429.418 0.219 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3cccnc3)no2)cc1OC 810339519 MALXCGSEELNLPO-UHFFFAOYSA-N 434.434 0.570 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)nc21 810400498 HVCHKRLXFSAIND-UHFFFAOYSA-N 446.276 0.797 50 20 ICGD COC[C@]1(CNC(=O)NNC(=O)CNC(=O)c2cccs2)OCCc2ccccc21 811871325 DQRLPYXIABBHET-FQEVSTJZSA-N 432.502 0.923 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 813033111 FSRJHXFSPOQKQC-UHFFFAOYSA-N 431.474 0.538 50 20 ICGD CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccccc1F 813392671 SOJHHBNVTQXWBG-UHFFFAOYSA-N 428.463 0.719 50 20 ICGD CC(=NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814803931 RKHOXTMBHFHUSY-UHFFFAOYSA-N 437.499 0.503 50 20 ICGD O=C(CSc1nncn1-c1cccc(Cl)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 913181184 GDOVLMKWRLUZMF-JTQLQIEISA-N 429.911 0.595 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2cnc3ccccc32)c1 913495763 FRYOVKCIGRTWJB-UHFFFAOYSA-N 429.458 0.365 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc(C3CC3)nc21 914645508 CUUPBKBYEDZAER-UHFFFAOYSA-N 437.412 0.530 50 20 ICGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916092751 DMRQPRCCOMKTHF-IRXDYDNUSA-N 425.507 0.213 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267180 JFWHFCHRWAJYIM-UHFFFAOYSA-N 443.508 0.407 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 916278612 XXQBTOXXASBCKQ-UHFFFAOYSA-N 436.490 0.935 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cc(C)[nH]n3)CC2)cc1 917393259 IDWMCEOELMTIGB-UHFFFAOYSA-N 435.506 0.979 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1320119606 DRUXUUIFTKOQDP-ZDUSSCGKSA-N 447.558 0.245 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCCN1CCN(C)CC1 1338560568 DTWNEUGZBWBDLB-UHFFFAOYSA-N 439.586 0.260 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc(Cl)s3)C2)C1 1779722391 WYXPVTJUCRLZBX-SFHVURJKSA-N 435.698 0.234 50 20 ICGD COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)c1OC 1780253714 ZCRDSWRQVBUJFO-WAWZGNHOSA-N 441.912 0.826 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2)[C@@H](F)Br 1780771513 JRFJWOWAMUTAEF-FRFSOERESA-N 436.322 0.523 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(F)c1 1783934969 OKNMZDMZCQQIEV-NRFANRHFSA-N 436.484 0.651 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784084662 ZMAAAWWRPIMNOY-HJWJTTGWSA-N 444.937 0.283 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784389635 IZSDWIGRXNKLBH-WPECMILSSA-N 438.908 0.796 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1788764656 WZNPUMPNKFBVPM-KKUMJFAQSA-N 438.557 0.392 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)[C@H](F)Br 1789924854 FFEPUIMWCVDWHU-VLJOUNFMSA-N 441.319 0.234 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccc1O 1790073777 XZDSQTBPKHWYLO-LNLFQRSKSA-N 432.521 0.667 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795547418 DFCBLJVPQOXDKD-ZYCKUDCDSA-N 432.525 0.083 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192019 BPDAYBSLVDVPOJ-IVDHNXQLSA-N 440.305 0.374 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc2c(n1)OCCO2 1796284859 VYIXGBSDDQSCHJ-DJBIQUGXSA-N 444.257 0.747 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC=CO1)C2 1796441936 ICSOXUFLRKYSEC-UNJQHOFTSA-N 429.477 0.403 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)CC1 1797933121 RLBBRXXYMSHJRH-FQLMCAECSA-N 433.322 0.479 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cccnc3n1)C2 1798440094 BKXGGUHVNRIYRS-BTTYYORXSA-N 434.460 0.293 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)cc1 1798931760 PZXFGHYXJUQFMD-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800156684 DPZHKAKJAREUKT-HHHUOAJASA-N 428.324 0.643 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1F)c1ccc(B(O)O)cc1 1801806287 QPEXJUCNUIDPJN-BCDXTJNWSA-N 426.253 0.836 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)C1 1802256914 ZTKGYSHATRFDEY-ZRSLWSEBSA-N 442.321 0.598 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805889342 HFFKOJATSJPSBC-HKUYNNGSSA-N 433.277 0.128 50 20 ICGD O=C(CCBr)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968299 QTRLBKFVRIOVPK-UHFFFAOYSA-N 437.143 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nccn2C)[C@@H]1c1cccnc1 1813071262 RFYCIQFEZZCQBJ-QFBILLFUSA-N 427.509 0.508 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814916148 NITLYPJXUMBGFK-NXEZZACHSA-N 443.371 0.926 50 20 ICGD CN(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817141921 WSVOVIIAGICGRR-INIZCTEOSA-N 428.497 0.666 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnn2)n[nH]1 1819715660 BQTCTZLAIIKLNC-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD O=C(Cc1ccc(O)cn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822889928 BSHMFNMKGWVJTI-IBGZPJMESA-N 449.276 0.739 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1)n1cnnn1 1823013795 JUXDLQTWIPXPTC-BRDIYROLSA-N 432.279 0.993 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 1825993743 DWWYGHQAMGZZRA-ZJUUUORDSA-N 427.914 0.917 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705962 NFIBAPGREROXPY-LPHOPBHVSA-N 434.002 0.899 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1829782534 YOILHKGZIQKCAT-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831518278 SYBRWHWACLJKMD-JFILPPLUSA-N 425.295 0.540 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833262319 NTHNZGMYNBHLLU-LBPRGKRZSA-N 431.379 0.072 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835084156 OEAKQGCHEKHKCU-SJORKVTESA-N 449.907 0.587 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835167138 CZKHSMYBXMVDDS-YWZLYKJASA-N 440.880 0.014 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835374212 LHKWBGAXFCFBJW-GOSISDBHSA-N 432.359 0.714 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835711130 KUKVONYSQMFJKQ-PBHICJAKSA-N 445.992 0.519 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835836631 SRCPJYJQYYOWRN-ABSDTBQOSA-N 440.928 0.182 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926277 INSSYWARCFUIFO-MEDUHNTESA-N 447.717 0.983 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)n(C)n1 1838046319 DPHXZYFCTXKOIO-DNVCBOLYSA-N 428.917 0.306 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)on1 1839199394 VVYRYLSRJBEFTA-GOEBONIOSA-N 434.262 0.672 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203526 NPWMLJDWWCISMT-KEYYUXOJSA-N 447.305 0.666 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881038 JRZXVHYKGBDRIY-IFIJOSMWSA-N 434.331 0.141 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CC1 1839898182 LESCAUOUMRZTKU-IAGOWNOFSA-N 437.320 0.632 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839962458 FRIZNQWMEJUVFH-HBUWYVDXSA-N 448.358 0.531 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839963463 LEYYIEIXLAQKOZ-KBXCAEBGSA-N 443.294 0.883 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840037374 ZADVQMHSOBDFNR-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061183 HTQRMCKDBHCZOY-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1840151007 UQPCQKKQLUWJJZ-FXAWDEMLSA-N 425.913 0.643 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840151688 LEMAVARHBMDIGQ-UZLBHIALSA-N 436.896 0.838 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)n(-c2cccc(=O)n2C)n1 1841350467 DSAMILBHQKNNMU-HNNXBMFYSA-N 433.896 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841559909 QVQXTBQNBDLAHJ-SFHVURJKSA-N 427.505 0.756 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2n1 1843694894 IUZCZDYEJRHHNK-UHFFFAOYSA-N 433.277 0.157 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848065397 IEOWMPVKUQDUNY-ACRUOGEOSA-N 448.527 0.557 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1n[nH]c2c1CCCC2 13295230 ZCEWJAXNXLCBPM-UHFFFAOYSA-N 427.433 0.696 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@@H]1COc2ccccc2O1 28876200 UVTNZEYBWYJQCY-YJYMSZOUSA-N 439.424 0.798 50 20 ICGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 727795472 IQKGGYWTSRQTOZ-UHFFFAOYSA-N 430.446 0.852 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)c(F)cc1F)N[C@H]1CCS(=O)(=O)C1 728505446 GQNRAVAAGBUEJJ-LURJTMIESA-N 448.267 0.407 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 729300568 SHPBFVOLLOOFGH-UHFFFAOYSA-N 435.487 0.761 50 20 ICGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729614067 ISBFUOVDPUSEQK-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD CCOc1cc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc(OCC)c1OCC 730511671 BDKVTQPBYFOJLL-UHFFFAOYSA-N 444.448 0.729 50 20 ICGD CCCCn1nc(C)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1Cl 730571851 UYUMPFFYZFKNHD-UHFFFAOYSA-N 427.918 0.680 50 20 ICGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc2ncccc2c1 731342916 GBUCBJBASGNPNS-CYBMUJFWSA-N 429.462 0.255 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 731957863 BFUIIRCCBSXUDK-YJBOKZPZSA-N 436.484 0.454 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 732261939 HCAQPCJHBFNOBU-VXGBXAGGSA-N 432.930 0.508 50 20 ICGD COc1ccc(C=O)c(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 734630999 BCQIMQGLOVONLJ-SFHVURJKSA-N 444.396 0.417 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 735028465 LCSBIWKALZVFCJ-UHFFFAOYSA-N 440.460 0.059 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 743306822 NTVSALDITZSNGV-OAHLLOKOSA-N 429.454 0.370 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1 744727234 ZHTOLCMNOKJMDE-KRWDZBQOSA-N 436.424 0.873 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744794896 SBXGSVOGONQWCC-MRXNPFEDSA-N 436.490 0.457 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccccc3F)CC2=O)c1 746240116 WQAWTIPRILPUAZ-ZDUSSCGKSA-N 434.449 0.216 50 20 ICGD CN(C)[C@@]1(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCSC1 748645907 CBVYDJDZHUWTBU-OAQYLSRUSA-N 434.610 0.966 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(C)o1 751297003 ACHISWODLKAJNG-UHFFFAOYSA-N 443.507 0.172 50 20 ICGD O=C(CC1CCCC1)NC1CCC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 751360808 GDOZRUKABQATBS-UYSNPLJNSA-N 428.555 0.759 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 752789792 PWVQEUPYWRTDJC-HRCADAONSA-N 448.520 0.703 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 756836639 CHXOPIZKOWMCMZ-GJZGRUSLSA-N 444.492 0.923 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 758029417 KRRZISABIFZOIB-LBPRGKRZSA-N 445.567 0.897 50 20 ICGD CCCc1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1ccccc1Cl 758036575 SKDQZYSJHKPYNU-JTQLQIEISA-N 428.902 0.572 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ncccc3[N+](=O)[O-])cc2)CC1 759290369 FCHMLLDFAVYPAX-UHFFFAOYSA-N 448.461 0.600 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 763460333 GCXVPLASICDAKJ-HNNXBMFYSA-N 430.469 0.910 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccnc1N1CCCCC1 763571990 KCHPUSPNUQNUKK-QGZVFWFLSA-N 425.445 0.998 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 763663308 RAOGSAATDIVCEX-CYBMUJFWSA-N 444.444 0.834 50 20 ICGD COC(=O)CCSc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763880067 AYVXYHGSJFEKLB-UHFFFAOYSA-N 433.490 0.941 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC(F)F 763917492 VDLGDODKGIOEEE-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764006082 KVTOCUBJKGEBDR-UHFFFAOYSA-N 431.401 0.883 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 764238197 QKISUPOVKLXSHG-UHFFFAOYSA-N 429.458 0.517 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 764397592 KKQBFFWOEZICML-ZDUSSCGKSA-N 430.465 0.419 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1)C(=O)OC(C)(C)C 764435844 XPKNQADNPDDVBE-OAHLLOKOSA-N 436.465 0.555 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767630388 ZRCTYPQBYZUOEH-CQSZACIVSA-N 444.469 0.538 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(C)(C)O)ccc2Cl)C[C@@H](C)O1 768262779 YITCPDPLMKMYNZ-GHMZBOCLSA-N 433.914 0.670 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772193317 UUJNYHYOOWUYLY-UHFFFAOYSA-N 438.893 0.472 50 20 ICGD O=C(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 778897877 CATBPCFJLJVPPB-HNNXBMFYSA-N 445.340 0.468 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(CC(=O)NC(C)C)CC1 779579485 RFRYFFWBWNDCKR-UHFFFAOYSA-N 425.917 0.252 50 20 ICGD COCc1noc(CN2CCN(C(=O)NNC(=O)Cn3ccc4ccccc43)CC2)n1 780987108 KWOHLBNICBOIRX-UHFFFAOYSA-N 427.465 0.729 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3nn[nH]c3cc2F)CC1 781932396 QSRRWGREGIBHAP-UHFFFAOYSA-N 434.457 0.185 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CCS(=O)(=O)C1 783426586 NVESSJWRGHNHRY-CQSZACIVSA-N 442.391 0.497 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 784002229 BFIUXRYSWWWPPD-UHFFFAOYSA-N 439.476 0.380 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 784855299 WTBQUQFZOZIPQH-UHFFFAOYSA-N 428.449 0.810 50 20 ICGD COc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1S(=O)(=O)NC1CC1 788222902 BWSXKWVFFAOSLG-UHFFFAOYSA-N 440.503 0.540 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CN(C(C)=O)C2)c1 788493935 ZFUUBRMPWRJOLU-UHFFFAOYSA-N 446.485 0.735 50 20 ICGD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 792267620 IDOONQXTXPSQMD-LURJTMIESA-N 427.266 0.026 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc12 792855357 RPFHUBQFJJPKPO-NWDGAFQWSA-N 427.552 0.554 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)n1 796541101 MUWANVNHYAUIQG-CABCVRRESA-N 439.538 0.511 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NO1 798945196 IWNSZIFUOLSMPG-JTQLQIEISA-N 425.467 0.295 50 20 ICGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1cc(Br)c[nH]1 804868619 ACJJGQCQHCHIAP-SNVBAGLBSA-N 428.209 0.984 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 812939301 VYNWUIJSYPLOKP-UHFFFAOYSA-N 431.471 0.872 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn(C)c2I)c1 815513670 QIFMNRJGNVKAKI-UHFFFAOYSA-N 442.213 0.951 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)n1 815630653 QXSSPEZIXBECTI-UHFFFAOYSA-N 441.423 0.908 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccnc12 817055082 LOPXTUZYLWGGIP-UHFFFAOYSA-N 432.462 0.913 50 20 ICGD O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[C@@H](B(O)O)C1 864233456 JXDYOTUSDQMWDS-CYBMUJFWSA-N 432.263 0.948 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 915894908 RRLARROZSZNFBE-UHFFFAOYSA-N 426.401 0.951 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CN2CCCCC2)cc1 916462141 SOPGNKZJKVUAEB-MRXNPFEDSA-N 425.555 0.820 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919653064 OUFFUPWNNMNRLP-UHFFFAOYSA-N 449.533 0.370 50 20 ICGD CNC(=O)NNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 919877718 QFDCEUFWXOINGP-NSHDSACASA-N 439.357 0.809 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N[C@@H]1CCS(=O)(=O)C1 919889862 VQQAYEOKSZLDHQ-CQSZACIVSA-N 446.464 0.933 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)cc1 920930723 SAWARLMYWQTIEX-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 933891352 HDIHBCWCXKLINW-INIZCTEOSA-N 443.435 0.871 50 20 ICGD Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)c(C)n2n1 1777783952 BMIRXZDAIBPPSX-KRWDZBQOSA-N 427.292 0.988 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778853492 JPEDQYNMAXIIQQ-BDJLRTHQSA-N 429.319 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1779028485 FSZWJXYJMMXHAV-FQEVSTJZSA-N 446.414 0.116 50 20 ICGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779332404 VOAARYYQBDIUHK-HRAATJIYSA-N 432.525 0.085 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779383746 WEUULYHYWJFXGQ-PBFPGSCMSA-N 449.415 0.768 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1780177776 IAEZZLOFHRGXDD-DENIHFKCSA-N 436.277 0.007 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780485823 AOIJIYOKEDDFLU-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1781673113 AQOMGDQHMYOXPE-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1782056780 HIQZPRPRKLEQCM-HSZRJFAPSA-N 448.483 0.623 50 20 ICGD CCc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785652267 GECCNCDRCRCYAU-LRQRDZAKSA-N 437.305 0.231 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1785916423 LJABVRYMWBCBOY-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3coc(C)n3)[C@H]2C1 1786057716 UMXLOKDBJCYKKC-WLMSWKTGSA-N 442.476 0.710 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1cccs1 1786986621 RKIHFDVLRXRNMC-XIVBQZFQSA-N 442.346 0.825 50 20 ICGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)c1ccccn1 1789922431 JQWARKBNZWNCHD-SIGLWIIPSA-N 429.290 0.752 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)s3)C[C@@H]21 1791291443 VLIMXUIOTWLRJK-AVGNSLFASA-N 443.957 0.763 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791601746 UQXSDWJPVFNKAO-GOSISDBHSA-N 449.508 0.558 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796141246 UCWBKWFLIRZGQV-NWJSVONSSA-N 428.283 0.870 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(CO)c(F)c1 1796192392 HDWBXQXMRIVRAX-REPLKXPHSA-N 426.253 0.563 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncncc2c1)c1ccc(B(O)O)cc1 1798127826 DAOQXOUSCJRLNB-ACDBMABISA-N 430.273 0.875 50 20 ICGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1C[C@@H]2C[C@H]2C1 1798316574 DWNNLUNFIWRYPD-DYSFYUKASA-N 426.521 0.277 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1799680340 ODQHEGSDTFJJCL-QVHKTLOISA-N 433.933 0.684 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803146401 NZTXAEHDSUDJNA-QOIYZWAUSA-N 427.885 0.303 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804425229 NJXRQVXFPDNCNO-GCJKJVERSA-N 447.304 0.437 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@H]1c1cccnc1 1806340914 QVFUBXQHFFXPHJ-JJRVBVJISA-N 440.342 0.465 50 20 ICGD CC(C)(O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806776682 LGLLBTFXTJUGQF-XLIONFOSSA-N 425.294 0.242 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374926 PIYPOWPQBRZTIU-GCJKJVERSA-N 447.304 0.437 50 20 ICGD CO/C=C(\C)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302563 LEEMHZGQESHTOL-YVOSRCDTSA-N 438.488 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@H]1c1cccnc1 1813069809 CCMZAJOVXUPUMO-JTSKRJEESA-N 439.520 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1813071236 QVWMASAUYMWOHX-PGRDOPGGSA-N 439.520 0.493 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815254140 MXRYGEYAWANVQV-SOVGHPHASA-N 428.298 0.802 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815666705 DUHUXIXYRFAFBS-ZYHUDNBSSA-N 426.861 0.207 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1ccc(B(O)O)cc1 1817475930 VJQCYPOMRPCFRX-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819710529 RRKSRXADNHXUMV-YOEHRIQHSA-N 443.334 0.622 50 20 ICGD CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)COC1 1821825167 ACBLASNYBFVUKW-KRWDZBQOSA-N 426.282 0.822 50 20 ICGD C/C(=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C(=O)O 1823412621 ZHBSYAGTLSTVAD-HMWXGYMHSA-N 426.238 0.426 50 20 ICGD CCSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829575516 XYQGLIAVJMDVHG-BEFAXECRSA-N 443.953 0.863 50 20 ICGD O=C(c1cc(Cl)cnc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720093 SSRWFIMLDONDMF-CXAGYDPISA-N 434.276 0.110 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722940 KVXHOWPMQACYEP-APWZRJJASA-N 432.851 0.563 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)s1 1830724269 DXYQJBOZGCLKFK-QAPCUYQASA-N 431.942 0.359 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831643751 GOGDEJYTLYJSDN-FOIQADDNSA-N 425.913 0.863 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1831646437 LORIPNIZYCYUMG-FXAWDEMLSA-N 431.961 0.573 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1832291457 ZTZIXWCLZIVOJM-RDJZCZTQSA-N 434.545 0.227 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833061927 HGEAUULFRQPTMP-APWZRJJASA-N 429.901 0.280 50 20 ICGD O=C(Cc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833125167 OFNDFWFCWWSGFH-ZBFHGGJFSA-N 431.262 0.166 50 20 ICGD COCCCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833243925 WAFNEQCJZNBIST-UHFFFAOYSA-N 425.574 0.358 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1)[C@H](O)CCl 1833313203 ZJAMGDZMKZMJGK-MRXNPFEDSA-N 425.917 0.027 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(=O)c3ccco3)CC2)CC1 1833757390 SUFPVKPIXONWLQ-UHFFFAOYSA-N 447.536 0.407 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790292 OUMHIPHIZQOONP-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD O=C(CNC(=O)c1ccco1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834867564 GYUBEMYMHJWWQB-INIZCTEOSA-N 440.928 0.181 50 20 ICGD CC(C)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835790757 IMUBQYDOGKPQFS-QGZVFWFLSA-N 445.369 0.365 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717534 FAXUXGLXIUBTEF-INIZCTEOSA-N 435.912 0.941 50 20 ICGD O=C(COc1cccnn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720470 UZZPAECJXZBEQV-INIZCTEOSA-N 426.901 0.454 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnco3)CC2)CC1 1836978099 GEKUQVPELVXOQD-UHFFFAOYSA-N 427.266 0.280 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C(F)F)n1 1838710250 RNYBYPYIWZLQOD-DYVFJYSZSA-N 436.843 0.256 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839967795 ZEBINJXWTREDED-RHSMWYFYSA-N 444.330 0.298 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1840030428 LTBXOWOKTFVTSM-ZQIUZPCESA-N 429.315 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840156522 UIIYZXWTBVKBRQ-QEEYODRMSA-N 440.928 0.225 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1840156754 YZTRLOCDUNQECW-CRAIPNDOSA-N 431.942 0.704 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183439 FEHHFRCQQDNPKU-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1841924404 IDGBEQGBTBBPOD-STQMWFEESA-N 428.917 0.601 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1841924513 USCLNXVPPPYTOX-HNNXBMFYSA-N 444.960 0.654 50 20 ICGD O=C(c1ncccc1Br)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014196 JOYVLYWUPOPADX-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c21 1844637089 PFWKLUCHSMKFEU-UHFFFAOYSA-N 434.261 0.090 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9930699 HYBLMCINHFTPGA-LBPRGKRZSA-N 431.426 0.272 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1OC 16972370 XBUNPEKFDISQRG-UHFFFAOYSA-N 441.238 0.168 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 725741960 XGKNRCVJYOLMNQ-UHFFFAOYSA-N 427.461 0.969 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 726379028 DCRMPJOCQPIUNG-LLVKDONJSA-N 433.428 0.389 50 20 ICGD CCOC(=O)N[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(C)C 728213666 FOLJSICEYUDFMO-KRWDZBQOSA-N 441.554 0.837 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CCc2ccccc2O)cc1 730037940 SMXSJTPKUDKTSY-UHFFFAOYSA-N 448.501 0.799 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 731759240 OYGKWPVIEHJTJX-UHFFFAOYSA-N 427.446 0.279 50 20 ICGD O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732914556 SEKUJPUAZXYXDJ-OAHLLOKOSA-N 441.492 0.632 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O 732996633 GEVQSSFMHVIKCU-OAHLLOKOSA-N 434.430 0.915 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSC[C@H]2CCCCO2)CC1 735117008 KTTPVLJFWSSPNL-OAHLLOKOSA-N 443.595 0.763 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1C 736693392 FAOXKCRIXQWJFE-UHFFFAOYSA-N 430.494 0.619 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 741825158 IWGHSVFNNCTIOS-UHFFFAOYSA-N 444.469 0.863 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)C2=O 744551221 KKOYTUKZMGHRIO-ZSEKCTLFSA-N 441.444 0.363 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-n2cnnn2)cc1 746013482 CXBFUTFEVJKIFM-HNNXBMFYSA-N 426.481 0.788 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)c2ccccc2n1 746326023 MGOWNLGJSVZWOU-UHFFFAOYSA-N 428.474 0.861 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)cc1OC 746462238 SEAMVABAXHWMLL-UHFFFAOYSA-N 442.472 0.628 50 20 ICGD CC(C)NC(=O)C(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 750934509 YIQWNWPCKWYGIZ-UHFFFAOYSA-N 438.282 0.229 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 751066061 ATRDZJVSAOAOEN-HUUCEWRRSA-N 439.538 0.440 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)o1 752780800 GHEUAVPVBDEGSE-UHFFFAOYSA-N 436.490 0.750 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(F)c1F 755962184 RMNZUPKSHJKIHG-UHFFFAOYSA-N 448.425 0.778 50 20 ICGD Cn1nc(C(=O)NNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c2ccccc2c1=O 756514516 HYGCTUMPXGWODK-UHFFFAOYSA-N 434.409 0.187 50 20 ICGD O=C(NNC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O)C(=O)NC1CC1 760789161 ZIFAACXTVCVTFZ-UHFFFAOYSA-N 427.642 0.984 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570833 IPYUPFHAHQDFAF-KRWDZBQOSA-N 442.428 0.127 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763629476 LQUQDMDCWXAJFS-UHFFFAOYSA-N 436.428 0.995 50 20 ICGD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C[C@@H](C)O1 763993287 NFJDQPDGPKAQIP-ZIAGYGMSSA-N 427.461 0.674 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)cccc1S(=O)(=O)NC(C)(C)C 764266998 PTJPLQJVUSHXBT-UHFFFAOYSA-N 447.517 0.795 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)cn1 770245958 OTBAXLKJTRVSNA-UHFFFAOYSA-N 430.446 0.463 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNc3nc(O)c4cnn(C)c4n3)CC2=O)c1 770974672 ORUONZOZYCNROR-SNVBAGLBSA-N 427.421 0.582 50 20 ICGD CN(NC(=O)COc1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201250 HKKXOUQQVBZUSL-UHFFFAOYSA-N 435.481 0.800 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)nc1C 778424358 OPOFIGQKAJZKMA-UHFFFAOYSA-N 427.508 0.872 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782838021 XDHKFCXRUXEYNQ-UHFFFAOYSA-N 441.488 0.942 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NN=c1sc3ccccc3n1C)CC2 783352060 VQBKPQJRYOSJAL-UHFFFAOYSA-N 445.526 0.669 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 784005115 PAKGOYWMNPJEDU-UHFFFAOYSA-N 429.458 0.173 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cnn(-c2ccccn2)c1 784214532 ZIZUMFUHJAKGFN-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ncnn1C 788887383 UFQOPLMROBNCRB-ZDUSSCGKSA-N 435.510 0.695 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)c1cccc(S(N)(=O)=O)c1 792775327 KDZJBOWRHWKMDK-CYBMUJFWSA-N 449.489 0.652 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 792810457 SXKICYSQWDYAAO-FQEVSTJZSA-N 427.461 0.473 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 801105924 LOMDPXSTEQAGOL-SFHVURJKSA-N 440.378 0.713 50 20 ICGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802029023 KBMDBGOVRBGJRW-HXUWFJFHSA-N 426.433 0.440 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 802827669 JHQTXLMRMVSZBW-UHFFFAOYSA-N 447.583 0.383 50 20 ICGD CCOC1CC(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 805191789 QVZFUUCWRLHMIS-UHFFFAOYSA-N 438.550 0.264 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 806977981 HLUNDOKNCAXCIQ-RKDXNWHRSA-N 440.400 0.040 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cccnc3)n[nH]2)cc1C 810584298 CKQGVMZSFILHPS-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 812731764 TWWNAEQEDHETSL-LJQANCHMSA-N 431.474 0.748 50 20 ICGD CC(C)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cnn1-c1ccccc1 815691499 RXDNAKFHSXNWBC-AWEZNQCLSA-N 436.476 0.936 50 20 ICGD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691506 SCBRTPIIRGBEFO-MRVPVSSYSA-N 427.248 0.942 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778188 GMNXPAOIMWRDCE-OAHLLOKOSA-N 426.495 0.289 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 816876850 FGZKJVKTXAMXTD-NSHDSACASA-N 440.851 0.997 50 20 ICGD Cn1c(=O)n(CCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 828771294 XVMPBLKMLBXDLO-UHFFFAOYSA-N 441.400 0.643 50 20 ICGD COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)cc1 849190798 ARVWCNWKUVKLTK-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD Nc1cc(C(=O)NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc([N+](=O)[O-])c1 874083855 VUXPTMIQOXOKJI-UHFFFAOYSA-N 437.416 0.785 50 20 ICGD CCOC(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 915789069 DFLKVKWWIKYURJ-UHFFFAOYSA-N 432.886 0.617 50 20 ICGD C[C@@H]1CN([C@H](CNC(=O)NNC(=O)C(=O)NC2CC2)c2c(F)cccc2Cl)CCO1 916429496 AMABBRIRFUWJGJ-IAQYHMDHSA-N 441.891 0.850 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 919887852 ICCDZOAKOXYBFC-ONGXEEELSA-N 449.316 0.864 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnc(C2CC2)[nH]1 1255303473 KTNLWGQNFMGGMP-UHFFFAOYSA-N 447.517 0.702 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 1319021514 SRLSOACJQBUJIU-INIZCTEOSA-N 440.589 0.847 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)[C@H]2C1 1324027573 WBZQWDLPGGFHFB-JQFCIGGWSA-N 426.477 0.525 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779204896 YXOMANGIFGMBFP-LRDDRELGSA-N 429.246 0.541 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1783808659 JNNLGIWXTBAZOQ-JXQFQVJHSA-N 449.511 0.932 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787499169 WCZXBEROHWTMGE-ORWNZLQRSA-N 446.957 0.022 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)OC(C)C)C[C@@H]21 1787508403 HZMVMMMLNGIJHZ-AKGDVTCISA-N 447.536 0.914 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791063109 AISGPAIWCCENKT-VOAKCMCISA-N 443.298 0.324 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288709 OFALFPHLRPNVLL-FHWLQOOXSA-N 431.537 0.285 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2)[C@H](O)CCl 1792982817 QCOVJOOXXZZGJG-DMVWFOPNSA-N 443.909 0.876 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957051 JPYIGDHVFPBBGW-ZIEJDFEHSA-N 439.310 0.184 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc2cc(Cl)ccn12 1796055480 YDXFKHKUSXGVAP-VAECKANCSA-N 427.288 0.791 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn1C)C2 1796441325 YTRZEWIVJFYRCO-SNOXVSQISA-N 426.477 0.362 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1797952703 HNCRNCCJWWOCNT-FVCICTRLSA-N 425.518 0.232 50 20 ICGD CCSc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798778867 JXKQIKIHACZTJD-CCWDJLKJSA-N 449.577 0.770 50 20 ICGD O=C(O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)ncn1 1799347140 FWYWVXNGKFHFTJ-VVJJBPBLSA-N 431.218 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1NC(=O)C2 1801069759 NHKIHNORRNUGEK-MUJYYYPQSA-N 427.505 0.806 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802595954 GUSGTOMCEFNBTG-MJGOQNOKSA-N 425.294 0.506 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803073216 LZQZTZMLDDAJBS-DFQSSKMNSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccn3c(O)nnc23)[C@@H]1c1cccnc1)[C@H](O)CCl 1803139039 JDUYFTCXDQCIOZ-NUEKZKHPSA-N 444.879 0.749 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1803139250 VLWVLTUXWWPGHO-WSTZPKSXSA-N 437.972 0.325 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362626 LVSQIWODCLWCMX-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370561 GSYKILDBRRAZHF-UWJYYQICSA-N 447.256 0.348 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)O)[C@H]1c1cccnc1 1808417162 VDGBCDYZCZHXTO-NGTHKXITSA-N 426.477 0.602 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977685 HLWFUEOSBZQIMJ-UHFFFAOYSA-N 444.337 0.801 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1813069025 SDMFIEXTALFKSW-HTAPYJJXSA-N 439.520 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1813070167 DNFWKOQRLBKQNZ-HRAATJIYSA-N 440.504 0.875 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)CC1 1814870360 QFVOEALRERQGEZ-CVEARBPZSA-N 426.949 0.639 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)NC=O)CC2 1817281837 QZARKCQDQKKSLU-GGCJDZGJSA-N 445.505 0.324 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnnc1)CC2 1819794807 DZCABAGHMNLYDI-NSHDSACASA-N 438.473 0.471 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1 1820714581 AVGIKWLJLVCVRJ-QMMMGPOBSA-N 443.445 0.375 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826009058 LKQHLKJQDHLFEV-WDEREUQCSA-N 431.946 0.682 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827309379 OYOIUAGEFGLBPJ-KRWDZBQOSA-N 440.508 0.659 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725038 CYLLHHWQBUMILB-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)[nH]n1 1830732685 VOALYLCWTYDOQK-AUUYWEPGSA-N 428.917 0.377 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733737 SEIMCVUUHAWXJF-RXVVDRJESA-N 435.908 0.767 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278488 LIFFDIWSXZKCND-CRAIPNDOSA-N 442.310 0.564 50 20 ICGD CC1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833403022 AYSQMQAFEVTXOB-IBGZPJMESA-N 429.005 0.890 50 20 ICGD Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1834552656 NYLHMAMVFOVLQJ-KDOFPFPSSA-N 432.304 0.713 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C34CC(F)(C3)C4)CC2)CC1)c1cccc(B(O)O)c1 1834799824 DVVLHALFBIQULF-UHFFFAOYSA-N 443.328 0.444 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1834825481 YJTFLENEVQJABP-BSXFFOKHSA-N 431.327 0.795 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835925969 FEJASYIIGUOAQW-HSZRJFAPSA-N 442.321 0.205 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)o1 1836028819 PDGCDPZIQIQGTC-MEDUHNTESA-N 431.287 0.160 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ncccn3)CC2)CC1 1837503421 SJRGNEPVORLUCB-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837715038 SUSCRMOXMKGWFK-GOSISDBHSA-N 440.529 0.844 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715465 RKEYXMRVHZIUCO-OXQOHEQNSA-N 443.617 0.599 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837847383 CFYSJRZOAGXBCY-IIBYNOLFSA-N 445.369 0.352 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732822 BHGCPFVFVBDMRT-FZKQIMNGSA-N 439.310 0.987 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839253768 BUOHQKGAFQXBPX-PXNSSMCTSA-N 426.897 0.673 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840032173 PPWZDMHRCRKAAL-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840135455 SMYIWYZNXFDQBF-PLMTUMEDSA-N 438.908 0.436 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840516737 JSZMFNHVOTZXHD-OAQYLSRUSA-N 436.509 0.042 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840886235 XMEVUCXKCDGRMC-AUUYWEPGSA-N 434.917 0.286 50 20 ICGD Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(-n2nccn2)c1 1843014403 GSJKCDQUMYVUHI-UHFFFAOYSA-N 445.288 0.386 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ccc3nnc(Br)n3c2)C1 1843126234 NKJODMHBXPJCLK-NSHDSACASA-N 442.701 0.909 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224051 ZYDXFFNGVWUGNC-UHFFFAOYSA-N 429.389 0.213 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nnsc1C1CC1)C2 1844264128 HXMHGRIAQNQTPC-UHFFFAOYSA-N 427.490 0.545 50 20 ICGD O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cccs1 9551057 AAOWDWLWCVBUSG-UHFFFAOYSA-N 436.471 0.181 50 20 ICGD COc1ccc(OC)c([C@@H](O)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728958638 CGYWXAXMZQFZHX-KRWDZBQOSA-N 444.492 0.774 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ccc(F)cc2)CC1 732261833 FSCJIARWVVPRRQ-KURKYZTESA-N 435.544 0.983 50 20 ICGD O=C(NCCNC(=O)c1c(F)cccc1F)NNC(=O)c1nnc(O)c2ccccc12 733042554 LVVCRWSQKMRSFJ-UHFFFAOYSA-N 430.371 0.988 50 20 ICGD Cc1sc(=O)n(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 734594643 CZAVUNADDFDZRE-OAHLLOKOSA-N 435.458 0.447 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 744827037 CTKGCYHYTREOSR-UHFFFAOYSA-N 431.408 0.786 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(C#N)c1 748044740 XTXYRCZZGCOJNS-QGZVFWFLSA-N 436.515 0.783 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748517948 AFCVSXHOZXPXLF-ZDUSSCGKSA-N 436.412 0.550 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)CNC(=O)c1ccco1 751207520 YKEYEMURQKJPBP-UHFFFAOYSA-N 431.493 0.815 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 751282522 MYNMAYLHORWKTK-UHFFFAOYSA-N 448.379 0.311 50 20 ICGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNc1ccccc1S(=O)(=O)N1CCOCC1 752488523 DKPZSRXUVYEWQN-UHFFFAOYSA-N 430.486 0.888 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CCCCS3)nc2)CC1 753260943 GPCWNPYPWHAZKW-CQSZACIVSA-N 428.584 0.930 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 754135223 QCGXNODQMLATIN-UHFFFAOYSA-N 446.445 0.969 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 756096729 IUSPGPDEUQGXDU-AWEZNQCLSA-N 447.517 0.983 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc3c(c1)OCCO3)C2=O 756899378 YWDCMHNQGNSKBG-CHWSQXEVSA-N 430.461 0.966 50 20 ICGD CNC(=O)Cn1nc(NC(=O)NNC(=O)COc2ccc(Br)cc2)cc1C 757823896 UKFOBANHLFCNMZ-UHFFFAOYSA-N 439.270 0.932 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccsc1 763510131 ZVQHLHYMLZINES-UHFFFAOYSA-N 438.487 0.169 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)CC1 763534955 NURKAUQXXUHWJN-UHFFFAOYSA-N 448.483 0.955 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763571107 KKDQLCIFNFOAFL-MRXNPFEDSA-N 433.442 0.157 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccnc1OCC(F)F 763802867 BPWBWHUABNBAFX-UHFFFAOYSA-N 439.331 0.799 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1 763878697 SUNBEVNIKQYAJS-CYBMUJFWSA-N 437.416 0.418 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccn2C)ccc1C 763995287 GKULBOSUZHDRCZ-UHFFFAOYSA-N 435.506 0.764 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2scnc2C)c1 764246111 LJCCPNONODRZGD-JTQLQIEISA-N 439.519 0.928 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc3ncccc23)c2ccccc2O1 764253732 UYAHJTBLYNDMOE-GOSISDBHSA-N 433.424 0.536 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 765118341 AQFGFSHGFBGVAP-UHFFFAOYSA-N 440.957 0.684 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(C)oc2ncn(C)c(=O)c12 771806719 BSIFWUMQTRWVSR-UHFFFAOYSA-N 432.462 0.511 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1F)N[C@H]1CCS(=O)(=O)C1 775275479 IYAXFMUJTINTMN-QMMMGPOBSA-N 430.277 0.268 50 20 ICGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2OC(F)(F)F)c1 778803485 MUKRAUZIRDIOAY-UHFFFAOYSA-N 439.350 0.882 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783848611 GFUKGQRLPJYVPR-MRXNPFEDSA-N 429.433 0.960 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1)C(=O)OC(C)(C)C 784003160 QPEPAJGBOSLXRH-UHFFFAOYSA-N 447.492 0.762 50 20 ICGD N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 785341396 CXQSYVSCPJSRNE-GSPCDJLXSA-N 441.506 0.394 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1 790997549 SEKPVLFEEXYRAK-UHFFFAOYSA-N 433.352 0.719 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H](C)O1 792627969 BXYIQNWEGROWBS-VFVRVIDISA-N 448.442 0.265 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c(OC)c1 797004095 HISQPPWQBVFGEV-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)ccc1F 806978695 DGUZZILYCFWUGD-UHFFFAOYSA-N 438.437 0.037 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c1 810386884 VVBKBJMCIXBPDW-UHFFFAOYSA-N 431.355 0.701 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 812728565 PPIAFTBHAOYZSE-QGZVFWFLSA-N 448.480 0.639 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1 812976072 NTOBVELZMSNFBA-UHFFFAOYSA-N 442.523 0.731 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cn1 815570271 XPTHBAXLUZRTEB-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)sc2c1CCCC2 815692531 TVWHTZUKAZIXTP-SNVBAGLBSA-N 446.489 0.354 50 20 ICGD O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816881720 NQEYFZTYVCIZKO-CYBMUJFWSA-N 438.423 0.161 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 825553831 CEFHZMMMXMSIIW-ZDUSSCGKSA-N 436.490 0.630 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)c2ccccc2c1=O 828059502 PBIOLKJCGKPNFF-HOTGVXAUSA-N 439.453 0.399 50 20 ICGD CC(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 842471297 VUBSZNAKOFFECQ-LMRWQKIVSA-N 431.536 0.183 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 915141411 QCUBLABWPMEOGC-CQSZACIVSA-N 447.579 0.832 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCS(=O)(=O)C2CCCC2)ccc1Cl 916133433 OCQQUEAUWAGDMO-UHFFFAOYSA-N 437.927 0.496 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCC(=O)N1CCCCC1 916437339 HGKGOCFULOAWND-UHFFFAOYSA-N 430.553 0.932 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](CO)NC(=O)c1ccccc1 920538210 GIMWHRBJLXDRRE-OAHLLOKOSA-N 449.847 0.444 50 20 ICGD O=C(NNC(=O)c1c[nH]cc(Cl)c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1321280033 CIKHZTCOJPKVDI-UHFFFAOYSA-N 440.865 0.124 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnn1-c1ccncc1 1324904624 FLHCHTNKGXVYIT-GOSISDBHSA-N 437.412 0.720 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1337259988 HATCZWAUBSPXSF-HNAYVOBHSA-N 425.507 0.695 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 1779371000 FALDBNDCDBNXJN-XMSQKQJNSA-N 438.488 0.521 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780956572 ZIFJEEQEDGZYLD-DYESRHJHSA-N 436.940 0.728 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781228092 VPXZXGVWSSOBNE-ROUUACIJSA-N 429.109 0.046 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1782171976 IQDRLOWZXAFOBA-HDMKZQKVSA-N 443.888 0.559 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2cnc[nH]2)C1 1782432038 HCVROXNCZPPZMQ-OQBWYENPSA-N 432.525 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3ncccc13)CCO2 1783936638 JWYHOVKJCWBNFA-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1783967315 FLGXAHUMUMOEIB-AJNGGQMLSA-N 430.343 0.620 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784517022 BFCIIBDNLMPTKI-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CC(=O)N(C2CCCC2)C1 1784965891 YZCHHYHHOPKSCW-CENPHQPOSA-N 441.956 0.357 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc(C)c1O 1784997779 PJRXACSGLIIBHS-JOCHJYFZSA-N 432.521 0.826 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4o3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981956 SEJRRWQPEAYMAT-KNBMTAEXSA-N 449.272 0.415 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]21 1787508929 TXGFPGRJLDDEQR-ARQYOALSSA-N 441.492 0.147 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1788764193 CSERFDXYNIWYEH-XIRDDKMYSA-N 434.569 0.851 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792124291 SWFCUOXOSVXCRA-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)C1 1793082678 RWIRKIAWKFMWLT-AICCOOGYSA-N 449.907 0.746 50 20 ICGD Cc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736888 MYOKXAYZYYWDQM-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(Cc1cccnc1Cl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190198 ZWHLMHSHPJVPHJ-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1C)C2 1796441317 YAKDXACQOGIOSR-QRUVTEGNSA-N 442.476 0.629 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797462339 KNQISYSVVSQJOY-ZIEJDFEHSA-N 436.310 0.964 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1797697289 HDHLGSDNTXZWDJ-RKQHYHRCSA-N 433.347 0.457 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797775555 AQGIQRISEMWMJA-NFFDBFGFSA-N 426.315 0.652 50 20 ICGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)cn1 1799347761 UHOHVVVMWTXBQV-RDBQEKCUSA-N 431.262 0.769 50 20 ICGD Cc1ccccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800610625 BWMPLLGGDFMJQK-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C(Cl)Cl 1801016412 AHELEPDNPTYNGG-DDFAGTSDSA-N 433.248 0.150 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1802283987 NOTANOXUCWBWDA-PYIOCPRISA-N 425.917 0.349 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806925067 BEWSMHSRJORLEA-VGSWGCGISA-N 444.536 0.083 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807362076 DKJTWOZYVPUHCA-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD Cc1cnn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1807362538 HHCSKDIVUIOWRK-UGKGYDQZSA-N 447.304 0.286 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807367322 YWHJTBWSBZSNAK-QSFXBCCZSA-N 425.294 0.364 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cccn1 1807368761 YABZZUZWESZILA-PBEJRMEISA-N 447.304 0.539 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1807869547 HEWAIHZJXCYWFE-KEXANBGTSA-N 449.475 0.653 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967075 QOBCJLQRESATPG-UHFFFAOYSA-N 438.236 0.321 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(CO)o1 1810827374 YCSOIUSEQCSAOW-UWJYYQICSA-N 449.272 0.480 50 20 ICGD Cc1ncoc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355656 YCMIJOYEEKRCAV-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815584545 WHCLESBFNVIEQT-MRXNPFEDSA-N 435.529 0.643 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CO[Si](C)(C)C)n[nH]1)C(=O)C(=O)O 1819596668 ODALVWUQZPZQBZ-CYBMUJFWSA-N 439.545 0.796 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncon2)n[nH]1 1820016938 AUJMKURSTYQMAU-ZDUSSCGKSA-N 425.409 0.411 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1820168404 FCFPNKFKJHRATA-LLVKDONJSA-N 436.566 0.832 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824708916 BWICUJPZBXPQJK-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089408 CCHYDPPSBGMPEX-YGNAEDSMSA-N 436.538 0.468 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830722933 KELMQYABIBNLJX-SJCJKPOMSA-N 435.308 0.295 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123199 BHBSHCVANOPJRH-YJBOKZPZSA-N 441.326 0.649 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccnc(Cl)n3)CC2)CC1)[C@@H](O)CCl 1833311700 APHVSYZVZOPELU-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1834819220 KMJNISGBLOYVOE-INIZCTEOSA-N 429.271 0.037 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1836075420 SDSWUHCUKPSZLD-BZNIZROVSA-N 431.287 0.160 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837711620 MBVYWCUYQRKWLC-GOSISDBHSA-N 427.599 0.994 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)c21 1838437436 AOHJPRPFOLYQFN-HNAYVOBHSA-N 440.859 0.883 50 20 ICGD CC(C)N(C)CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838789753 YXYULPWMBKYDCS-UHFFFAOYSA-N 439.601 0.698 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840150682 OZXCYITWICZRNM-PXNSSMCTSA-N 440.928 0.471 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc(OC)c1C 1843012612 GRBNFGUSMYARJO-UHFFFAOYSA-N 438.289 0.823 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131114 WUKCHDNRFXJMKK-LLVKDONJSA-N 445.339 0.829 50 20 ICGD CN(CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)S(C)(=O)=O 106018464 FMSJEIYRTRKFLI-UHFFFAOYSA-N 443.489 0.041 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNc2cccc(OC)c2)c1 728205815 GKVVTZGDYKLJDY-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 731499614 XXWGBUGUYATBCW-UHFFFAOYSA-N 427.483 0.907 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc[nH]c1)c(=O)n2Cc1ccccc1 731602027 ARUFXEPBOMXKFJ-UHFFFAOYSA-N 435.444 0.217 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731686640 IBFXDALBXKYTSK-UHFFFAOYSA-N 432.930 0.802 50 20 ICGD CCNC(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 733952070 WNPQPWLMZHHRPF-UHFFFAOYSA-N 426.389 0.394 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 734239818 FCKPMLLZHCOVQJ-UHFFFAOYSA-N 443.526 0.842 50 20 ICGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 735836934 BOSWZEDJVGIQFF-OAHLLOKOSA-N 430.486 0.711 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 738992217 JDXHMQSBOQMPPF-UHFFFAOYSA-N 440.504 0.668 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 740776941 PPUMFUSUNPSTPK-ZDUSSCGKSA-N 434.536 0.360 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c2ccccc2c1=O 741093178 NXNLHAYFTDNWIS-QWHCGFSZSA-N 435.506 0.716 50 20 ICGD CN(C)C(=O)c1cccc(CCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 745846257 CJACGFQXMBMTKN-UHFFFAOYSA-N 436.472 0.822 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(Br)cc2F)n(C)c1=O 748199803 CYJUDUGNZVMCHB-UHFFFAOYSA-N 439.245 0.869 50 20 ICGD CCc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C(=O)O 749772623 LXDTZMRBDMBBMJ-UHFFFAOYSA-N 433.490 0.963 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNc1nc(-c2ccncc2)no1 750275015 ALGUHDZYNGKXPF-UHFFFAOYSA-N 432.408 0.453 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 751281390 DCPOKXXIPNYUIE-UHFFFAOYSA-N 446.235 0.480 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(S(C)(=O)=O)cc1 753277018 TWQFUNCSHAWYJC-GFCCVEGCSA-N 438.531 0.948 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)CO[C@@H]2CCOC2)c1 753947955 ITPULWHKWBQSKZ-GDBMZVCRSA-N 442.538 0.855 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cn1 763482822 KVLYRSAEUVGGKV-UHFFFAOYSA-N 441.263 0.647 50 20 ICGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763571854 PEFIWAKFDIWHEV-KRWDZBQOSA-N 437.412 0.812 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763573317 YRCXSSJOLNLXBT-SFHVURJKSA-N 444.419 0.588 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c1 764133433 VEFITHUPVTZBOO-UHFFFAOYSA-N 425.405 0.474 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 764179415 STJSXFWTKNOOEN-UHFFFAOYSA-N 431.493 0.624 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764264899 ZPXMUCZKZRNPGI-UHFFFAOYSA-N 425.445 0.797 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3o2)c1=O 764331399 VVHUJAQRQQJVGR-UHFFFAOYSA-N 426.385 0.557 50 20 ICGD CCOC(=O)c1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)c1C(F)(F)F 764429205 PKDRGSOTVLHLIH-UHFFFAOYSA-N 443.338 0.146 50 20 ICGD Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769956231 WOGVBSQNJZAFRH-ZBFHGGJFSA-N 425.453 0.196 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(Br)c[nH]1)c1cc[nH]n1 770824485 SNYZXIJMSJSPFB-UHFFFAOYSA-N 427.215 0.245 50 20 ICGD Cc1csc2ncc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c(=O)n12 776462742 BNRCUYFGXNCOBD-AWEZNQCLSA-N 444.425 0.209 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cc(OC)c1OC 776541369 SJGWDYVEJKLGRN-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccn1 777473447 IYJIGADBLADYSP-AWEZNQCLSA-N 446.938 0.960 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc1OC 777939912 SDNJLLPQECTWHP-UHFFFAOYSA-N 444.510 0.556 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n(C)c1 778949663 QGUAWPVXWOQFHF-UHFFFAOYSA-N 431.515 0.341 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNc2ncncc2Cl)C1=O 782049415 JGCNXFZAXSQDPW-UHFFFAOYSA-N 432.828 0.772 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1C(=O)N(C)C 784005357 XCPKYDPDUWVJOE-UHFFFAOYSA-N 431.474 0.274 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 785061551 XNFNHFIVBOSAQY-UHFFFAOYSA-N 444.451 0.873 50 20 ICGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 785993339 DJWUVDGHILCENE-UHFFFAOYSA-N 441.444 0.244 50 20 ICGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2O1 787889023 HLSMMUNGRXURBD-LLVKDONJSA-N 425.463 0.495 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 789732138 MOBPJTFFZASTHH-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792014102 FQFBQMLSSPULND-GOSISDBHSA-N 443.378 0.853 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C 796998155 ASSQXNYBHBKKIT-JTQLQIEISA-N 433.490 0.951 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cccc1[N+](=O)[O-] 797369067 NGHNCZKIIXOLSR-UHFFFAOYSA-N 429.389 0.916 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)n1 797633647 FXYQGUQYLOQDCJ-UHFFFAOYSA-N 439.432 0.349 50 20 ICGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 798346924 VHLUFHMHLFQIIY-INIZCTEOSA-N 447.517 0.322 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)c2)ccn1 815569258 MIHIJMJXGPIWCC-UHFFFAOYSA-N 437.416 0.285 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 915269771 ZLAYTQUZSKTXBO-UHFFFAOYSA-N 447.542 0.747 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 916144758 YFJOSFKUMMJUGH-UHFFFAOYSA-N 435.510 0.265 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1C 916649811 IYRLETJLRVOBGW-UHFFFAOYSA-N 429.481 0.357 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919886102 UHXZONZXAPVMHS-CMPLNLGQSA-N 444.897 0.219 50 20 ICGD CCO[C@@H](C)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920093171 NTEDFRUEFVPYJJ-WFASDCNBSA-N 443.522 0.525 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1OC 920308365 GMZGIUHUDWSKOO-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CN3CCCC3=O)C2)s1 920435610 LBAJVFSVTPTBLW-ZDUSSCGKSA-N 428.536 0.227 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1CCOC1)N(S(C)(=O)=O)CC2 921202990 NZZAVFSUKHBLPE-ZFWWWQNUSA-N 441.506 0.137 50 20 ICGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1318911526 XRJUAEFWFYIZOV-ZDUSSCGKSA-N 427.504 0.181 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1779034004 IANIDMAXHYBDQT-JEBQAFNWSA-N 425.848 0.053 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1779068306 IJVBELAZSYJPPU-BEFAXECRSA-N 432.901 0.576 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1779295486 OTWAGHNWCSWOCC-IBGZPJMESA-N 438.557 0.993 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298264 CHHFYYJWXSUZCZ-HNAYVOBHSA-N 445.589 0.511 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@](C)(Cl)CCl)C1)n1cnnn1 1780716021 YMUIIDKIFSRCDM-BQGCOEIASA-N 433.340 0.984 50 20 ICGD CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780773743 VJKIFLYQGBQTPL-PBFPGSCMSA-N 436.322 0.963 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230893 AKVQPHHEYVHEBZ-ATZDWAIDSA-N 435.396 0.689 50 20 ICGD O=C(C(O)O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783017578 BEZSWRMREFXWHX-KBXCAEBGSA-N 427.295 0.133 50 20 ICGD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CCCC1 1783636689 NYEKWCVQSCFAKW-WBAXXEDZSA-N 429.521 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C(F)F)CCO2 1783934955 NTPIHSGGKNFYMN-LJQANCHMSA-N 442.467 0.174 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937365 HBFPDSZIKGRJAN-BRBKRDGESA-N 429.521 0.688 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1785392624 MPAQZLMMWVUBNR-HGDOOPNHSA-N 437.447 0.996 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984182 OKBZHBLFXLEBBL-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428267 ROKYWHKIDSJALQ-URBCHYCLSA-N 443.298 0.512 50 20 ICGD O=C(CN1CCOCC1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143909 VFQXMMNBIWSOPZ-UHFFFAOYSA-N 437.305 0.446 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924436 DDMAHMZIUWKGCR-WTFGDDLMSA-N 445.245 0.459 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)nc1F 1794245646 RUMASSDZCUWFAN-FVCICTRLSA-N 447.659 0.071 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794713481 QEUWAKCMUUZOQC-IVWMJMPLSA-N 443.416 0.760 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795897104 YGNCHESYHSBRPR-NPJQDHAYSA-N 445.944 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c[nH]nc12 1796181109 JGTPQYMOUKTNOE-CCWDJLKJSA-N 428.493 0.139 50 20 ICGD Cc1cccn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c12 1796189401 IKAVNJCEZHYEEZ-REPLKXPHSA-N 432.289 0.888 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796189663 NCDLHFHXVTZSGN-NPIHVYMDSA-N 428.294 0.208 50 20 ICGD O=C(CCC(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189867 KIQGYJKQHOLJRI-REPLKXPHSA-N 427.310 0.021 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccccc2o1 1796966909 XAIHJGJGPTVWIR-YVWYUNDQSA-N 449.467 0.948 50 20 ICGD Cc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750753 OZJVKKLTEJTJJQ-FVCICTRLSA-N 429.502 0.572 50 20 ICGD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798523009 NNWKXXZHLQFSJQ-IVWMJMPLSA-N 433.417 0.702 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1799264999 WVMIYPPBOZZTNS-DGADGQDISA-N 447.960 0.869 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1799390796 ADGUAWKITGMOQQ-GLPAEGGISA-N 446.508 0.511 50 20 ICGD CN(C)c1c(F)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1F 1799833812 WGVSWJFQBOFSSE-NOXHYTERSA-N 431.867 0.834 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1800644230 OALHEATUNYNPQM-LSCVPOLPSA-N 432.344 0.660 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc(C)c1O 1801702339 FIPBZKQQIUYQRI-XEMDLRDOSA-N 432.521 0.585 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1802896616 DHMNHWOKJLGVBY-DZKIICNBSA-N 435.912 0.951 50 20 ICGD C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1)n1ccnc1 1805734746 WHHPACXHIWCZFV-MRXNPFEDSA-N 439.520 0.988 50 20 ICGD O=C(Cc1ccccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807654348 RHNIXKKQPMZSPE-WMZHIEFXSA-N 444.300 0.719 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1810541313 SYTHTHWLQMRUCW-HNAYVOBHSA-N 447.568 0.491 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812414652 GMNWGDMUSMANGF-UWJYYQICSA-N 433.277 0.047 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)C(Cl)Cl)[C@H]2c2cccnc2)N1 1813076007 NBCUPUFLJCBYMN-NTZNESFSSA-N 428.276 0.489 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1=COCCC1 1813113878 IUJIIEWOAKTIQT-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813577209 PUEVZJXRWBYFTD-HLLBOEOZSA-N 431.942 0.776 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cncn1 1817479224 KUAAYDYQKJKMAZ-GUYCJALGSA-N 437.269 0.248 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc2n(n1)CCCNC2=O 1818974461 QVWAJJJOXSAEEX-DZGCQCFKSA-N 449.899 0.645 50 20 ICGD CO/C=C(\C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1819543408 XCOORHXNYPTDKR-PBQZMEPESA-N 430.490 0.918 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1822863049 FHYWKQNOYJTKPB-DRTKUVKGSA-N 436.365 0.884 50 20 ICGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1)C(=O)O 1825641425 HOLNDFUXBKAMOR-OYNCUSHFSA-N 433.328 0.901 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923329 DVEZBDOBUISHOO-JXFKEZNVSA-N 441.532 0.957 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1830537771 ODYAGUWENYPDGS-KBXCAEBGSA-N 433.343 0.900 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830638323 LWPSNBXBBDBKOF-HSZRJFAPSA-N 442.321 0.205 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)cc1 1830719888 NSAXKRFEKJEIAZ-KLHJMIIUSA-N 440.924 0.855 50 20 ICGD CO[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830723926 UWKZBQJVFLALHP-FUHIMQAGSA-N 426.897 0.430 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738516 QCODYKPKIGVZRL-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831656554 NNKFTSUQURPPFX-WBVHZDCISA-N 448.402 0.676 50 20 ICGD Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)nc2s1 1832104118 INWGUVBCPKSGDS-RHSMWYFYSA-N 445.904 0.633 50 20 ICGD C[C@](O)(C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1833638504 DKZCZODNLMVIPG-BBRMVZONSA-N 429.867 0.471 50 20 ICGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)co1 1834800960 DPTCRJFZQUNBJM-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834823986 PHRCVBPUWZUOAJ-QAPCUYQASA-N 432.359 0.570 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835184785 PKZIOIHEFYAAKS-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835809858 IWRQBVKKGQBIIE-MAUKXSAKSA-N 440.976 0.740 50 20 ICGD C[C@@](O)(C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(F)(F)F 1836713822 MDLGMPISJAZHOV-XJKSGUPXSA-N 430.851 0.898 50 20 ICGD O=C(c1ccc2cccnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836827436 BOKUNRSSPKZSCX-OXJNMPFZSA-N 434.880 0.300 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711652 MOUYDVCNAZPYKY-HNAYVOBHSA-N 429.590 0.161 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837713379 ZUKJLYPLILDBKA-HXUWFJFHSA-N 447.568 0.651 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839151469 SIXXMDJWPWGRED-QZTJIDSGSA-N 433.288 0.946 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151546 VZKFQIMRUQDGQN-IRXDYDNUSA-N 425.309 0.632 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c2c1 1839486321 UAECUSJNNROKSK-OXJNMPFZSA-N 447.879 0.104 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1 1840031796 CGKFSWUDDDAKTK-YOEHRIQHSA-N 429.315 0.431 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840930298 QNJIKFDUCLISPE-UGKGYDQZSA-N 436.936 0.848 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841287871 LXAXOXYWUQQBIF-LBPRGKRZSA-N 434.294 0.938 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843011186 ADPHRXQFPXLULP-UHFFFAOYSA-N 435.289 0.385 50 20 ICGD O=C([C@H](Br)Cc1ccccc1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084836 YHMXSCUOQHWZLT-OAHLLOKOSA-N 433.310 0.883 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845870824 GRBKUXOYZDMJEC-AAKUMTKESA-N 431.443 0.668 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)c2n1 1846385371 XFEGCVPUODDEQH-UHFFFAOYSA-N 428.493 0.762 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 15639432 FHPPPLVEQZOKAS-CQSZACIVSA-N 429.520 0.057 50 20 ICGD O=C(NCC(=O)N1CCc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 726190301 MLRKEMVVXVNJTC-UHFFFAOYSA-N 430.490 0.513 50 20 ICGD CC(=O)N1CCN(CCNC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 729315417 CWAGTXUQCWHUCD-UHFFFAOYSA-N 438.532 0.937 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)nnn4C)cc2)CC1 729534077 KNYQADGUWPVFSI-UHFFFAOYSA-N 429.506 0.661 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3cccc4ncccc34)cc2)CCN1 730116409 YEMUGJXQCNOIHR-UHFFFAOYSA-N 446.467 0.951 50 20 ICGD O=C(COC(=O)CN1C(=O)CCc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 732374451 ORQAHEVWECNKKD-GOSISDBHSA-N 439.424 0.496 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)CS(=O)(=O)CC)c1 733659907 HZBKEIHSXQBLOC-ZDUSSCGKSA-N 448.567 0.484 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2ccc(F)cc2F)CC1 735116896 KHTLWHRDVUNILQ-UHFFFAOYSA-N 441.460 0.818 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 736756983 IJJUPDBXKBSRKM-GNTOHDJUSA-N 445.497 0.730 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 737629477 RPOVBJQCTHXLAX-UHFFFAOYSA-N 431.514 0.895 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 740851593 NDCBZSHYWIQRCU-GOSISDBHSA-N 425.489 0.875 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H](C)O1 741282847 AVEXBRSVXIKEBA-CEXWTWQISA-N 446.548 0.951 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 743805539 IDCTWLGCMCFZSG-UHFFFAOYSA-N 425.492 0.850 50 20 ICGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)no1 744549798 BCFOJOFIVPSOED-GFCCVEGCSA-N 445.457 0.919 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)NC1CCCC1 745996007 HZUQPRIJPNCEOH-UHFFFAOYSA-N 426.495 0.603 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 747613495 METHYQGANIDMFJ-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD Cn1ccc(CNC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 747954873 MRLKFDFWFSLWBQ-UHFFFAOYSA-N 449.533 0.509 50 20 ICGD CN(C)[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCSC1 748648496 YDFJNTPKKLPMQX-KRWDZBQOSA-N 429.568 0.318 50 20 ICGD COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)c1C 751618669 UDMZSZJWGKKCSC-UHFFFAOYSA-N 441.488 0.978 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752126393 HCDQOLGETWGBMS-GFCCVEGCSA-N 437.503 0.483 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 753360799 VFBQEPFGLTWODU-CQSZACIVSA-N 428.405 0.895 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756097870 RMXHYUAOKSGYBV-MWDDYTRKSA-N 443.416 0.111 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 756685430 PVIPJEKNMSSHDL-UHFFFAOYSA-N 448.440 0.518 50 20 ICGD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758051198 FUPNHRSYCDQMQR-RISCZKNCSA-N 432.930 0.570 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccnc1I 758358394 XLIVHOAZEMNHAS-UHFFFAOYSA-N 425.186 0.272 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763728187 IZYMONQSTDWQFE-UHFFFAOYSA-N 427.461 0.646 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814185 RHGYAPJTXXSAGB-UHFFFAOYSA-N 437.412 0.620 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)cc1 763861537 QNJMVYOLVNBHJC-LBPRGKRZSA-N 444.444 0.746 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 763918435 CWQPSBZKQZWEJM-UHFFFAOYSA-N 436.465 0.713 50 20 ICGD COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NNC(=O)c2cccn2C)cc1OC 763996865 RZJQVLXWMUPARM-UHFFFAOYSA-N 440.460 0.995 50 20 ICGD CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 763998206 NDPBPJUYDLWBIT-SECBINFHSA-N 433.433 0.663 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 764005059 TVFYFFMXIFEKGO-UHFFFAOYSA-N 449.265 0.931 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C#N)c3)cc21 764242636 WRNMZISXCCSEBK-UHFFFAOYSA-N 436.428 0.427 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2OC)cc1 764392291 DFVWAYSFROJMLH-UHFFFAOYSA-N 446.485 0.698 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765737040 UODGNLXAOMNWQD-UHFFFAOYSA-N 444.513 0.309 50 20 ICGD C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739593 ZHTJQKAMFHZDQB-KRWDZBQOSA-N 443.548 0.677 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 767189817 YIUGPCSQZBJLAW-HNNXBMFYSA-N 427.933 0.844 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 769238090 FLFSUURCXFXJIS-UHFFFAOYSA-N 431.496 0.488 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@@H]3CCCCO3)nc2)CC1 780908066 VZTPUKLTQWVVTP-HNNXBMFYSA-N 426.543 0.603 50 20 ICGD C[C@H](c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1)N1CCOCC1 784001982 HEMMLVUDWBXHFF-CQSZACIVSA-N 443.460 0.189 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786420483 UTDDMGRTCHHATJ-UHFFFAOYSA-N 437.457 0.250 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)O)cc1 792454124 HREALCWQASXATF-LRDDRELGSA-N 436.446 0.392 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2ccnc(C(=O)NNC(=O)c3cccc(C)n3)c2)n1 794080301 OADZPMKOXIRJIQ-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 800053614 INDOMZFUDZDSPX-OLZOCXBDSA-N 435.547 0.340 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc(Br)cc1 801995678 RPDFTDDGYZTZNZ-OXHZDVMGSA-N 437.250 0.764 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnc2[nH]c(O)nc2c1 809724992 HIGVDERCCAWHIO-UHFFFAOYSA-N 443.895 0.896 50 20 ICGD Cn1nncc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 809899295 IDKFQFLGWDKRIK-UHFFFAOYSA-N 429.462 0.760 50 20 ICGD COC(=O)CCC[C@@H]1CCCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 814877297 MHQMBAIEWLIMTQ-ZDUSSCGKSA-N 432.481 0.439 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1=O 817054840 AQKQAQLMTBPYPD-HZPDHXFCSA-N 437.566 0.713 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 822013940 SLMPQUOTUQHJET-UHFFFAOYSA-N 436.472 0.785 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cn2c(C)nc3ccccc3c2=O)c2ccccc2c1=O 913623887 NAKGTHPZRMXHQC-UHFFFAOYSA-N 432.440 0.896 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)c2ccccc2c1=O 916252620 AXFQOLVHGUGKIX-UHFFFAOYSA-N 430.465 0.170 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C 916409896 NCHIWYWFRCFNJD-AQTBWJFISA-N 427.505 0.608 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cccs2)c1 917941379 QICWNMKEEVDEBC-LBPRGKRZSA-N 443.528 0.745 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689223 DHWUCUIBGKQIMJ-ZDUSSCGKSA-N 449.467 0.957 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 919805207 FGHLTPRTQDISSK-ZDUSSCGKSA-N 433.446 0.852 50 20 ICGD C[C@H](Oc1ccc(F)cc1Br)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886784 UXNXQDZHWMOPHI-WCBMZHEXSA-N 438.275 0.873 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c2ccccc2c1=O 921300854 DXBJTJKUZXNXSD-GRDNDAEWSA-N 444.517 0.420 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@H]2CCC[C@H]2O)CC1 1322669245 JGOJYJCGJCECPC-ZWKOTPCHSA-N 431.541 0.401 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 1323777835 KKUDRQDKORSEOF-QGZVFWFLSA-N 445.501 0.620 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1781097073 VBMBEVSVIPWLBF-QAPCUYQASA-N 431.375 0.237 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1781899629 ATHTXOXZWKRSPM-UYAYXHRUSA-N 447.374 0.267 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1782212267 OGKVZVFASCYLBF-DYESRHJHSA-N 430.509 0.387 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783168684 XXVIASBXEONFRY-YKLWOSKRSA-N 444.438 0.838 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933028 OSXZLQGYZWNXGY-GUYCJALGSA-N 433.347 0.220 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1783967078 AOANQKLKKIVCNM-VGWMRTNUSA-N 432.359 0.329 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984770 HTXBPJOBQNNVCD-FJXLLPKBSA-N 443.136 0.196 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNc3ccc(F)cc3)C[C@@H]21 1791289006 AEKSOJQYMVJLDC-SNRMKQJTSA-N 449.527 0.590 50 20 ICGD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1793285407 DVULBHMTKPCUTP-WGHFBVPUSA-N 432.427 0.597 50 20 ICGD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c2cccnc21 1798254152 SXQPDZWMKSOZOX-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD CC(C)(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1 1799436307 VLAKSSAQCOYISB-BTTYYORXSA-N 440.508 0.597 50 20 ICGD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334266 KGSHYFFMTWQOTK-QYFXKUKHSA-N 432.427 0.597 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1csnn1 1803748766 OLWAJXUNSWQFNT-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD CC(C)(C)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370747 KCLDJTQDDPNKGA-GHTZIAJQSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(F)(F)Cl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374395 KEKCIRAKJUYGBU-GOEBONIOSA-N 437.639 0.913 50 20 ICGD Cn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)cn1 1808352594 KXFIIYMJNLWIIX-UHFFFAOYSA-N 425.493 0.577 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CC(F)(F)C(=O)O)C2)CC1 1810883171 UEDGJQLIAKISRQ-UHFFFAOYSA-N 432.468 0.701 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1813071413 PSMPJGQGYHFAGU-KUHUBIRLSA-N 429.481 0.203 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cccn1 1813422932 NMLXOKDWLXBTTK-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD O=C(Cc1cnc[nH]1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817045636 YICDVQMHVWSMFB-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD CC(C)N(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801659 OXUSFZMHLCAMGR-GFCCVEGCSA-N 445.549 0.708 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1 1820306448 IMPLXNBUPMRMSO-GOSISDBHSA-N 432.249 0.909 50 20 ICGD CC(C)(CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822022633 HQCYADNHMUUJKV-HNNXBMFYSA-N 429.949 0.953 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1830533686 RQLFKXXMCWPOCN-XUWXXGDYSA-N 445.310 0.800 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1830534808 CKVXONYFIKZRHT-FZKQIMNGSA-N 443.294 0.950 50 20 ICGD COc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc(F)c1F 1830732839 BONMDRQFLXVOBW-LIRRHRJNSA-N 448.850 0.643 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736361 SDPOMQIJKHLXRJ-KSSFIOAISA-N 427.910 0.899 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738066 BYQSDECJODMOIW-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572782 WRQMOAYCNIUGNS-GFCCVEGCSA-N 438.388 0.386 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1834826465 QPYMGEGBDUGNJX-JMLCCBQJSA-N 433.343 0.779 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccco1 1836129903 DVSYDWWNBUXNQH-QGZVFWFLSA-N 434.276 0.270 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462949 WYKHONBZUAWSTM-KDOFPFPSSA-N 434.990 0.334 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1837717629 JYEJFCIXKSFBMQ-KRWDZBQOSA-N 443.602 0.205 50 20 ICGD Cc1nccn1CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838730837 KFIIYMDJQARVQY-UHFFFAOYSA-N 448.568 0.563 50 20 ICGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197795 INVNWPSDPHCKNN-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203453 LODLOEGXESTDFA-RDJZCZTQSA-N 436.322 0.619 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840034245 GAGFOMIKBBRWQL-MPGHIAIKSA-N 432.359 0.568 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840036055 CWRBYDZJXODHBH-XHDPSFHLSA-N 439.328 0.044 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840151727 MQXZMZZWFUODRF-KBXCAEBGSA-N 444.941 0.279 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841432623 KQQFYNLJPFPSDS-UONOGXRCSA-N 429.901 0.368 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1842205869 BIRKFCVFNPJKHJ-UHFFFAOYSA-N 425.493 0.767 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389156 PYXRUYPSSUCKAI-SSDVNMTOSA-N 428.409 0.269 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@H]1O 1847598569 IMZPRFOGKUCSMZ-ZIBCJSCZSA-N 449.511 0.797 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 14842222 ZWNKCXQOXLKVLJ-UHFFFAOYSA-N 426.458 0.533 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc3c(c2)COC3)cc1 727720168 HVIQNCXGDZMQEE-UHFFFAOYSA-N 439.515 0.655 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCS(=O)(=O)C1 728179038 NOWSMOKPDXVEDK-HUUCEWRRSA-N 435.502 0.568 50 20 ICGD Cc1oc2ncnc(O)c2c1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214756 SBDDSTSFCPICQW-UHFFFAOYSA-N 446.489 0.930 50 20 ICGD CCOc1ccc(-c2noc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1 729276312 CAKYXWWKQMPOQY-NSHDSACASA-N 425.467 0.153 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C2CCC2)c1 732142418 ZREFFVIXOYVBLT-UHFFFAOYSA-N 434.312 0.935 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733042052 MQDCCWUYRLRBFW-UHFFFAOYSA-N 436.437 0.366 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)cc1 742034461 NUUNAQSGHFZEDT-AWEZNQCLSA-N 435.550 0.992 50 20 ICGD NC(=O)NCc1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 744620545 KGDOOAKPUDLQAQ-UHFFFAOYSA-N 433.490 0.633 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1 744736129 ZQKKIBVDAVAJHA-AWEZNQCLSA-N 449.485 0.272 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1 744736130 ZQKKIBVDAVAJHA-CQSZACIVSA-N 449.485 0.272 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 746098055 QJIUGRDMGFFWLK-GOSISDBHSA-N 447.451 0.788 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 746184430 BSFUNEPQJCNWDI-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 755037636 TZPJMJCCYGVIMA-UHFFFAOYSA-N 433.490 0.373 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)nn1 757403565 BQUDSAQNWVGJTL-UHFFFAOYSA-N 446.514 0.915 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)ccc1F 758906246 GIVYWQXJDNBIMK-UHFFFAOYSA-N 437.453 0.651 50 20 ICGD CC1(Cn2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)COC1 759375764 FGEQFWSODBCJOX-UHFFFAOYSA-N 448.505 0.174 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1F 763064955 SOJJRWHYABPMTA-SECBINFHSA-N 442.856 0.706 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763422863 FRYDDOJWJVYOSZ-UHFFFAOYSA-N 446.485 0.416 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 763682306 QRLNATZSVSPKBR-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763775370 QAJFUTZMZQIFLO-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2O1 763978532 KPOMFRBNGUSHET-OAHLLOKOSA-N 432.820 0.347 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764202434 CNMOQKZAXCJITH-UHFFFAOYSA-N 426.495 0.230 50 20 ICGD Cc1cc(Oc2ccccc2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231808 QENPSIOFQCDHNR-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)cc1 764278462 SFNJGAKPUZMBDR-UHFFFAOYSA-N 435.234 0.582 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 764316777 FKULSTPRFAPWHY-UHFFFAOYSA-N 438.485 0.578 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1NC(=O)OC(C)(C)C 764431654 DXLLVVWALKYGNK-CQSZACIVSA-N 438.437 0.544 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 766838075 GLYVCHGCCOSENS-OALUTQOASA-N 443.592 0.807 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 767944244 XJTVAQHKXQLRCU-OALUTQOASA-N 445.568 0.791 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 768248413 YZXQTLGZULTGEF-UHFFFAOYSA-N 428.467 0.222 50 20 ICGD CN1CCN(C[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)c2ccccc2)CC1 770372072 PZSCPGCEULJTRE-INIZCTEOSA-N 425.497 0.684 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)C1 773412047 TVXBDWYGDCGRAG-LBPRGKRZSA-N 446.551 0.821 50 20 ICGD Cn1nccc1NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 775752860 JVCSEIJCERZTIB-UHFFFAOYSA-N 436.494 0.227 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 776625133 UTONKZJUGSQINY-AWEZNQCLSA-N 434.540 0.205 50 20 ICGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNc1nc(O)c2cnn(C)c2n1 778743904 ZKSZJJKZJCKTPU-UHFFFAOYSA-N 435.391 0.771 50 20 ICGD CCn1cc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 779052533 ROPKOOFPIZLLJZ-UHFFFAOYSA-N 445.343 0.744 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)ccc1OC 780971273 MSPDEKJHRPBOLR-UHFFFAOYSA-N 430.483 0.279 50 20 ICGD Cc1nn(C)c2ncc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cc12 784208687 QVCZJWWWGCBIBK-UHFFFAOYSA-N 443.489 0.799 50 20 ICGD CS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1Cl 788330103 DLWZRAFCBJDBIC-UHFFFAOYSA-N 439.833 0.872 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cn2c(S)nc3ccccc3c2=O)c2ccccc2c1=O 791174620 YCWNZRHCVKRDRD-UHFFFAOYSA-N 436.453 0.393 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 806339780 IUYPATSJDDOJHX-BZUAXINKSA-N 428.530 0.659 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNc2nc(Br)cn3ccnc23)CC1 807016019 LIIJMDACWXIUQX-UHFFFAOYSA-N 432.304 0.111 50 20 ICGD CC(C)[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nncn1C 807432961 WCLFEVXUHYAYKB-MRXNPFEDSA-N 449.537 0.941 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(F)c1 815691772 AUIBNKJJFDSQBB-LBPRGKRZSA-N 446.439 0.721 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=S)NCCc1cccs1 819427103 HFTHUQWFGGUWOE-NSHDSACASA-N 444.608 0.503 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccccc1 848978556 GVYMSVGVTNMSFU-HNNXBMFYSA-N 439.424 0.815 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 914832089 KWVHAMSUPUEYCB-UHFFFAOYSA-N 447.517 0.750 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cn2)CCO1 916393224 VCRSAMPMKWPNTA-AWEZNQCLSA-N 437.464 0.427 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 920424291 PUPYRGYNPDRHOL-OAHLLOKOSA-N 429.408 0.481 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 1323777834 KKUDRQDKORSEOF-KRWDZBQOSA-N 445.501 0.620 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)c[nH]1 1778317482 PLAJCFPLQPLFSI-DENIHFKCSA-N 425.294 0.444 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778903495 WGPYSFHRCZACHB-UGTJMOTHSA-N 428.338 0.930 50 20 ICGD CSCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028245 AHJSKOIZJFLKSQ-HXUWFJFHSA-N 435.550 0.518 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCCC(F)(F)F)CCO2)C1 1779029288 VKHCHBXJVODDAP-GOSISDBHSA-N 443.426 0.861 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779031641 VDMDIJOLIAKTIG-QHCPKHFHSA-N 437.500 0.680 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1779076883 RQEMHJYNPFVARW-PZSREKOKSA-N 449.298 0.095 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n(C)n1 1779768165 IPDHPBQVKCTHLL-XMSQKQJNSA-N 448.568 0.483 50 20 ICGD COc1ccsc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779844877 LEZGLLVOGMCLAO-FQEVSTJZSA-N 430.291 0.194 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781095318 NEBOSMJZLYJUIC-JKIFEVAISA-N 435.338 0.143 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1783534620 MMWQCSVWFRWBCG-FFSVYQOJSA-N 431.356 0.626 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933519 OOAGNZBCOBYQIF-HSZRJFAPSA-N 446.548 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1783933671 CGQQIAHKKLICFA-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ccn3)C[C@@H]21)[C@@H](O)CCl 1784090771 MSYOLRPXRAYTNU-CBVHJVASSA-N 436.940 0.875 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979774 POHBBNFRCVTLTF-VCOUNFBDSA-N 447.300 0.755 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982359 ZSRZAAPSENYJCC-NDXORKPFSA-N 440.280 0.721 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1787508166 LNAMAOXCQKTPSD-WAWDGXNYSA-N 431.493 0.137 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(C)n3)C[C@@H]21 1787508660 GDWMNHNCNSVHHF-WLMSWKTGSA-N 442.476 0.710 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640081 WIYYFNJZPRUJCQ-KSWRQPAISA-N 432.901 0.478 50 20 ICGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922572 PHYOHKILSYHEQD-MRBYEJRBSA-N 431.262 0.769 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790021964 WCKSCBVXOMPUFW-APYUEPQZSA-N 427.841 0.493 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791063871 VBRCHXYQRBOHCM-RFGFWPKPSA-N 427.299 0.006 50 20 ICGD Cc1ccncc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288736 RSFSTLSRKNYVTN-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 1791289278 RJPOQVIUACTULJ-WDSOQIARSA-N 434.512 0.721 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791290631 FDUZPEMKORLTDG-BQFCYCMXSA-N 434.541 0.430 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])C2)[C@@H](O)CCl 1792974761 AOVOWSCAKRUULG-RBNVPPIJSA-N 446.287 0.980 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982621 KNSWMMWHGATRRH-QRJUGERDSA-N 445.944 0.575 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1793881217 VXIPAIUHWWLWRC-QRJUGERDSA-N 442.944 0.236 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795115699 HYVFCWVSAIHOHN-XUYBMCNPSA-N 432.315 0.890 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1F 1795739946 VAXHKDWIJLQXNB-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440080 DEOLQFWJXPKTCM-KGGRJMKFSA-N 432.525 0.083 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1796446313 RTRBZUYSCOWLLY-HSXGWXLXSA-N 430.292 0.514 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1ccnn1)C2 1796893175 NGWMKVLKHXWQPE-YDOXXCSQSA-N 426.481 0.440 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccnc(Br)c1 1798017067 KTNPQRILINJCTB-GFQSEFKGSA-N 432.702 0.647 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800756833 DQPJOPHPGHFCOS-UQPICLANSA-N 447.355 0.162 50 20 ICGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C 1801010842 YQMFYDLYRNUKBY-FEJSZKPUSA-N 446.548 0.509 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035574 NANDGTPFJYCFCB-CKEKPRIKSA-N 430.221 0.038 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 1802337284 UUEVXWHTPZAZMQ-VBUUOAMHSA-N 439.520 0.892 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1nc[nH]n1 1802859482 QIYMBCAMSVMXPA-BQELMUNXSA-N 444.521 0.669 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccnc(F)c1 1803842362 ZSMHQDQXIQDJAW-RXVVDRJESA-N 448.263 0.929 50 20 ICGD CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804078372 HDDQHJPGIAKEJM-WIYYLYMNSA-N 439.321 0.896 50 20 ICGD O=C(CCBr)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806584849 PXTFAFKZKWARCV-UHFFFAOYSA-N 429.315 0.554 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374978 LUYSELZDAFZZJE-HNAYVOBHSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375335 SMOABCNBZULGJQ-NQIIRXRSSA-N 437.305 0.386 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)COC1 1812488441 BSVNDUUGSPXHIC-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335520 BXFSQOPNPJCCPU-CQSZACIVSA-N 429.307 0.664 50 20 ICGD O=C(CC[C@@H]1CCOC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361866 SVLMOCWSMYQPED-CZUORRHYSA-N 443.334 0.865 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818078480 GZNZRTDNSPJPPS-LBPRGKRZSA-N 447.456 0.720 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822188148 CBJMEAOUBQONRL-TZMCWYRMSA-N 446.346 0.472 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828974141 QNDKRWYHYMJVDS-JENIJYKNSA-N 431.961 0.511 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1830537401 GTAHRKOFONOTDQ-UGSOOPFHSA-N 443.294 0.741 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831649673 XQSMXXXOEGFYBB-IACUBPJLSA-N 443.342 0.988 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1832291456 ZTZIXWCLZIVOJM-NVXWUHKLSA-N 434.545 0.227 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832790993 CGTQSCCNKTVTAY-IFXJQAMLSA-N 444.916 0.446 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)nn1C 1834115284 LCODKBYHEIODFP-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706202 PADYDALXHAPUSD-IBGZPJMESA-N 447.411 0.634 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834819354 MBDRZMXYAIABSK-QGZVFWFLSA-N 434.331 0.096 50 20 ICGD O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835729999 YAZIRHZQDXUBGU-GNFOSXPUSA-N 427.977 0.629 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835790755 IMUBQYDOGKPQFS-KRWDZBQOSA-N 445.369 0.365 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836717565 GCHXMKZVQUCJBT-QFBILLFUSA-N 445.004 0.221 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837376396 YZOOVBXCJJHRAB-AUUYWEPGSA-N 432.949 0.415 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838654965 PJFUYTPZGONJEY-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083944 MJZVMHKYBKMOQU-GRXQJBFDSA-N 441.956 0.861 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1 1840033605 KZLDNGALWZJDNV-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840156751 YZQWFTZUWZBYFF-HBUWYVDXSA-N 436.889 0.258 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840156768 SXDJDVZIACHFKC-FXAWDEMLSA-N 427.929 0.979 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)s1 1843012020 VUSPMVOCVLCNMX-UHFFFAOYSA-N 442.302 0.274 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013211 UZEBRZDPJPFYGK-SFHVURJKSA-N 436.273 0.414 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014370 CKXRXBGLAKOHDS-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=CCN(C(=O)OC(C)(C)C)C1 1847728344 QGRQLVAXRPHNTI-IRXDYDNUSA-N 449.552 0.738 50 20 ICGD COc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)cn1 1848105313 ARXUQBGBIPUZQK-ROUUACIJSA-N 438.488 0.537 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 10744049 OXQSDKZGBCBNNN-SPLOXXLWSA-N 430.461 0.800 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15978455 JJWLPGLCNFOONL-UHFFFAOYSA-N 444.469 0.419 50 20 ICGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1 727846621 GZVMLZXLJDVACD-UHFFFAOYSA-N 428.276 0.771 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccs2)n1 728722202 MZJXYORCVLDZFP-JTQLQIEISA-N 446.532 0.113 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2scnc2C)c1 730025580 LXKKESAJJDAROO-SNVBAGLBSA-N 440.507 0.331 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc(OCC)c1OCC 733123736 CTNRLQVWQXCQON-UHFFFAOYSA-N 436.421 0.064 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc3c(cc2OC(F)F)OCO3)c(=O)n(C)c1=O 741761811 CKMNODVFESYNEW-UHFFFAOYSA-N 443.388 0.052 50 20 ICGD CCc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[nH]c(C)c1C(N)=O 748367185 ZIOACFPHTPOXFZ-AWEZNQCLSA-N 430.417 0.129 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 749969787 WKALIGRKQGBIFR-UHFFFAOYSA-N 431.898 0.706 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCc2ccc(C(N)=O)nc2)c2ccccc2c1=O 753938301 BUEUMSIQFYUNBI-UHFFFAOYSA-N 437.460 0.835 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756031213 KOAIDBZJDHBAIK-UHFFFAOYSA-N 437.453 0.637 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1OC 756395573 XUVNWGODUNVLFA-UHFFFAOYSA-N 429.433 0.776 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)c1 757629932 RIXSZXGLCPPGTC-UHFFFAOYSA-N 444.491 0.032 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)C(=O)Nc1ccccn1 758840404 OFDQUBYGRJVJQP-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD CCCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 762522011 CNUNJNIQQSVZRZ-OAHLLOKOSA-N 427.523 0.754 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3cc2O)cn1 763525902 FHBRXXNIVYNSIM-UHFFFAOYSA-N 428.426 0.744 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1 763662917 MOUVRPOZFCNGFU-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2F)c1 763718824 NUWDQICXKRNCFS-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2F)c1 763719293 WPAPULWZRHZOFB-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl 763790708 NIFUGFBDPOWLQK-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)CC1 763815013 ZLKCPHLUDOXNCT-UHFFFAOYSA-N 439.476 0.576 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763838048 MHFPJAXTYBGDOH-UHFFFAOYSA-N 445.436 0.688 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)ccc1-n1cnnn1 763848511 CMJHHTRMCMDRBJ-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 763875815 BEIJQZRBBFHZJX-GFCCVEGCSA-N 448.457 0.241 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 763919268 NDKQKSQPKBIHLQ-UHFFFAOYSA-N 429.437 0.852 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 763997381 KMMHIQCDFXPKKE-OAHLLOKOSA-N 426.454 0.002 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc(C)c1CC 764002686 QEKRDSDCOWFFHN-SNVBAGLBSA-N 445.519 0.316 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1 764125726 AXEKEJYSBVATCG-UHFFFAOYSA-N 448.501 0.810 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 764230773 KWHVUBUHTIPXBV-ZIAGYGMSSA-N 448.501 0.850 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764298087 MEAUAKHLKBXXNF-UHFFFAOYSA-N 439.476 0.405 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764318152 BOEJUPRXDHHQEA-UHFFFAOYSA-N 427.392 0.206 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427056 XWRUQSYFKZEZCO-PBHICJAKSA-N 432.477 0.511 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(=O)n1C 764823378 OXTMNOLWSUAZLU-UHFFFAOYSA-N 449.309 0.924 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccccc3F)n2)cc1 766200818 IOOQHFRVODEXPK-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3ccccc3S(=O)(=O)NC(C)(C)C)nc21 770364086 RIINIOPWKSMVPT-UHFFFAOYSA-N 448.509 0.972 50 20 ICGD CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982302 GAFVDSCWNSKFAT-WCQYABFASA-N 448.528 0.738 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 771859566 ASRLRYNUUZTGBO-GXTWGEPZSA-N 438.506 0.629 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1 772099311 GQDMCZOWSBLZSR-GFCCVEGCSA-N 426.495 0.899 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778438451 XNQXNQWVJTXYLW-LJQANCHMSA-N 425.486 0.549 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2cccc(C(=O)OC)c2)c1 780789396 AAJOBFHSVPTDJE-UHFFFAOYSA-N 436.490 0.809 50 20 ICGD CCN(Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1)C(=O)OC(C)(C)C 782965093 FOQHHFBUTYGUTJ-UHFFFAOYSA-N 447.492 0.808 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 786131985 GJBDFGXVAKIQRM-SFHVURJKSA-N 433.428 0.641 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 786585596 SUNTUWSNKFVRDY-LLVKDONJSA-N 432.311 0.452 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1cnn(-c2ccccc2)c1 789838858 YEYAWDQCRWQYGB-QGZVFWFLSA-N 432.506 0.727 50 20 ICGD CN(C)N(C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 792854282 IQMMIAQVLFLNJB-SFHVURJKSA-N 438.550 0.433 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c1 796989286 DQQAQTUQRJMVFV-CYBMUJFWSA-N 446.435 0.812 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(C)c1 796992109 MTMCCSBOVXLTPX-UHFFFAOYSA-N 432.408 0.424 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c(C)c1 797000149 RIHHSDPOHQJTRM-UHFFFAOYSA-N 434.836 0.879 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 804030734 LYIXJJHEIWFCHQ-UHFFFAOYSA-N 431.518 0.767 50 20 ICGD C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 811878730 MOYYDZNEBRUXAH-ZDUSSCGKSA-N 446.485 0.512 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CC(F)(F)F)nnn1CCOc1ccc(F)cc1 815568651 PKIVBQZSXQTCJV-UHFFFAOYSA-N 432.334 0.843 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1C(C)C 815691800 BPSQWEKBLFZATG-AWEZNQCLSA-N 430.513 0.993 50 20 ICGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692139 KAOCNWHURQUKNP-AWEZNQCLSA-N 443.533 0.488 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCS(=O)(=O)C1 918151250 MQKYKTIXZGKPAV-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 919137083 XYYSAGXFEVSIDS-UHFFFAOYSA-N 429.838 0.815 50 20 ICGD O=C(COC(=O)CCNC(=O)c1ccc(F)cc1)NNC(=O)[C@H]1COc2ccccc2O1 919735065 SUQXEBMJKDWVTO-QGZVFWFLSA-N 445.403 0.476 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Br 919961123 SLMXEIRIAJNKSA-VIFPVBQESA-N 426.314 0.437 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4c(O)nc(=O)n(C)c4[nH]3)cc2C1 920274764 FMBRXRYHNDSSBO-SECBINFHSA-N 430.490 0.942 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)NCCc1cccs1 920860460 XAHYFTKQYODMIU-UHFFFAOYSA-N 427.486 0.693 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)nc21 1319880698 WQYNJVNGVXVDCD-UHFFFAOYSA-N 441.267 0.992 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CC1 1778118084 UWZTUXGFDCSWEK-MRXNPFEDSA-N 442.365 0.292 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1C 1779928108 VVBGHQRHKOPLMC-JOCHJYFZSA-N 425.294 0.079 50 20 ICGD O=C(c1n[nH]c2c1CCc1ncccc1-2)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780033733 MCXVUCLLOVPQAQ-IERDGZPVSA-N 445.907 0.614 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 1780628862 GMIBNAMPEZOTRD-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782369447 AALBWBSLVPBFQD-NRFANRHFSA-N 446.483 0.290 50 20 ICGD CCC(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783083575 CMIZVYYBGXWREK-ORAYPTAESA-N 431.917 0.928 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783246731 IGJYBWQPVBDBBJ-MKFDZEHOSA-N 441.532 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS[C@@H]1CCCCO1)CCO2 1783936454 VRMZLEAAFUHRRW-WOJBJXKFSA-N 442.582 0.449 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1783938067 RHGBYAIVLAAASD-CVDCTZTESA-N 444.532 0.583 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783966975 NONZBFLSIJEKNY-QTVXIADOSA-N 430.343 0.688 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785496357 ISQWVCYZDQMIHN-IAXJDVGUSA-N 431.493 0.377 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)[C@H]2C1 1791239477 WGDMPTCKDBJMJI-COZGXFGHSA-N 442.940 0.975 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791294018 YYABUZLOOKGTPY-VJANTYMQSA-N 439.601 0.317 50 20 ICGD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1OC 1792979688 BDTGOTWNQIYWCU-DZJQYVJYSA-N 430.860 0.646 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1793448985 MPRVHCZZDSZPCL-LOUJCGABSA-N 426.901 0.710 50 20 ICGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N(CC)CC 1793459401 HMNXLWPZQJLDDZ-WTLGNFPFSA-N 446.552 0.009 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc(Cl)nc2n[nH]cc12 1796052107 OCGBQKJXABSOPI-NVVZYBJKSA-N 428.276 0.414 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2c(n1)OCCO2 1796190985 LSBADZJSNXQEGS-BJWYYQGGSA-N 437.261 0.098 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3ccccc3n1)C2 1798440207 GYXOKQMUMGPSTM-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443623 OXKBJKRGRUXHGU-JONQDZQNSA-N 425.493 0.470 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2)[C@H](F)Br 1799346985 HFCBKJVSJAHNBG-VLEAKVRGSA-N 427.234 0.018 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)nc2nccn12 1799347654 UJESWUZLDWRZLD-ZMJPVWNMSA-N 440.273 0.931 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801428506 KSPOECRXWHBXIG-DFYYWFRZSA-N 426.278 0.041 50 20 ICGD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1805899643 GRENGIBIUFWADT-WIYYLYMNSA-N 447.304 0.611 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1808200481 OAFBRFSGNFARDG-HJWJTTGWSA-N 437.953 0.714 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CN)[C@H]1c1cccnc1 1808415453 WQVRMMYKQBVPEM-KOXITYSLSA-N 439.520 0.816 50 20 ICGD O=C(CCc1cn[nH]c1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815875486 JBNSNYLTNWLAMN-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@H](F)Cl)sc3C2)CC1 1817123060 OONRYFNNXUYTCQ-ABAIWWIYSA-N 431.921 0.754 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817310282 OPFHOSPSUXERAR-YPMHNXCESA-N 438.554 0.295 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1)c1cccc(B(O)O)c1 1817475629 WOOKXBZPKUWBIN-SFHVURJKSA-N 449.276 0.257 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818121736 KDELNYXWFLRZFJ-SCLBCKFNSA-N 441.297 0.262 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822373158 WCVQSCRRBGVORF-ZYHUDNBSSA-N 435.872 0.858 50 20 ICGD Cc1cnn(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c1 1826085134 GOQJKBGOGMQCMR-ZDUSSCGKSA-N 433.538 0.633 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n[nH]1 1829011470 GDKMDWSWWOBSDR-OAQYLSRUSA-N 438.337 0.874 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731858 QZWCFRFMYREARE-WRWLIDTKSA-N 425.913 0.543 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831429363 NFIGROGOXXTERX-MGPUTAFESA-N 429.326 0.124 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831647202 SGCJSYSFNAYHDS-JXFKEZNVSA-N 425.913 0.712 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1831649675 XQSMXXXOEGFYBB-YUTCNCBUSA-N 443.342 0.988 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832561483 QXXJDXTXQIKMBL-LPHOPBHVSA-N 429.901 0.544 50 20 ICGD COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833476391 XYVFIDMTFHNIED-OAHLLOKOSA-N 435.974 0.064 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833768347 SFBJACBSYHDPFZ-LIRRHRJNSA-N 427.885 0.414 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1833864735 OJMGZSODEPXLJS-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834421241 VPISOEINTQDYKG-OAHLLOKOSA-N 429.359 0.622 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413713 KZDIOSKTXGFVHA-KDOFPFPSSA-N 446.342 0.239 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075448 TXXRGODTOGEHAQ-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837713047 DTDRVWKCGOSBJU-QGZVFWFLSA-N 428.587 0.768 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840029699 NACRLZUTCFEKCD-IFIJOSMWSA-N 434.331 0.141 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1Cl 1840151777 NHCQKFBYJSAAAD-SGTLLEGYSA-N 449.335 0.949 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1840153668 XEJIBZOKCVLSHJ-NEHHDPPZSA-N 429.945 0.037 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012995 XPLSEHSWFDRICR-HNNXBMFYSA-N 445.325 0.344 50 20 ICGD O=C(c1ccc(-n2cnnc2)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013269 AGUWWSQPBYNJPI-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD O=C([C@@H](Br)Cc1ccccc1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066848 IYXLABNNYLHVRX-ULQDDVLXSA-N 436.350 0.919 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847954180 RNYRITGAXOQKNR-IRXDYDNUSA-N 445.325 0.485 50 20 ICGD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931007 LTTQNXJGDWFQTF-ZDUSSCGKSA-N 446.510 0.707 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15884616 YFMKXEXSQJANCE-UHFFFAOYSA-N 449.485 0.556 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 725880773 LHHILSRZFMUFJF-UHFFFAOYSA-N 446.529 0.799 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)c1sccc1S(=O)(=O)N1CCOCC1 726370080 PVYFWYYVSHEHEJ-UHFFFAOYSA-N 436.475 0.971 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc2ccccc2c(=O)n1C 733261038 IDTLRBXSNUJRPZ-UHFFFAOYSA-N 446.489 0.050 50 20 ICGD CCc1cc(NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)nc(-c2ccccn2)n1 738530385 GLLLOLFVMYWBBH-UHFFFAOYSA-N 444.521 0.955 50 20 ICGD CCn1c(NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)nc2ccccc2c1=O 741209148 ODLSFPZFZJGFFA-UHFFFAOYSA-N 444.492 0.939 50 20 ICGD CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 741823371 DXKCVNSOOXONMV-JXMROGBWSA-N 442.453 0.947 50 20 ICGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)C(=O)c1cccs1 744622290 ZMEFLDKDYBHOAA-UHFFFAOYSA-N 438.531 0.984 50 20 ICGD COC(=O)COc1c(C)cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1C 746352842 HJYZIOMCVBWPQR-RIYZIHGNSA-N 426.429 0.625 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)c1ccc[nH]1 747663583 MVZYZNMCYHHNEJ-KRWDZBQOSA-N 436.490 0.940 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C[C@H](C)OC)N(S(C)(=O)=O)CC2 749719902 GWSCNSZIFINMDL-WFASDCNBSA-N 443.522 0.525 50 20 ICGD O=C(NNC(=O)c1cnc2n1CCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 750675232 DVMZTHWNAMITLJ-UHFFFAOYSA-N 433.490 0.315 50 20 ICGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2ccc(F)cc2Br)C1 753668753 HRQMAGMUXYXOLD-VIFPVBQESA-N 437.291 0.814 50 20 ICGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 753920742 ZRJCHIZLCWJPHU-UHFFFAOYSA-N 432.506 0.773 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(OC)c1 755846592 MKTNERCIDFLIBE-UHFFFAOYSA-N 428.405 0.116 50 20 ICGD CCOC(=O)Cn1ccc2cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 756396962 QLTXQTLRXCLTSD-LLVKDONJSA-N 425.467 0.295 50 20 ICGD CCn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 756597221 DNZZJLWHZRNYBB-UHFFFAOYSA-N 436.450 0.671 50 20 ICGD CSCCNC(=S)NNC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 760822489 CTJRKQNIDVOQRC-GFCCVEGCSA-N 433.600 0.751 50 20 ICGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 762855284 MDPQBRMCNVDTSA-OAHLLOKOSA-N 440.460 0.581 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)c2ccccc2c1=O 763270319 KAASUHUPXOWQBW-SFHVURJKSA-N 426.521 0.738 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 763682830 PBWPEKDBBCPUHK-UHFFFAOYSA-N 428.401 0.695 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1 763879033 VRKUVEDBXGVEDO-ZDUSSCGKSA-N 426.429 0.850 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1 763916170 AHQKITMEUNGQOR-UHFFFAOYSA-N 439.432 0.396 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)ccc1F 764404227 GTULTYRUKXJJLO-UHFFFAOYSA-N 445.436 0.694 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCCCN3CCOCC3)CC2)cc1 764519350 QLJXPVYYMGPFLA-UHFFFAOYSA-N 448.637 0.330 50 20 ICGD COc1cccc([C@@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 764585616 RCGYJFQULPAAKI-GOSISDBHSA-N 433.486 0.974 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3cccc(N4CCCS4(=O)=O)c3)nc21 765890994 IVYDPXWRTYWEAA-UHFFFAOYSA-N 432.466 0.435 50 20 ICGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1=O 769596686 IFFQJZJBNYCACG-OAHLLOKOSA-N 435.444 0.793 50 20 ICGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)c1 775279497 YWOWHOGGFBXSDW-UHFFFAOYSA-N 434.499 0.966 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 775840588 AYJCUOWRXQJFBP-ZDUSSCGKSA-N 427.527 0.367 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)C1CCN(c2ncccn2)CC1 779510523 AOALYKOGJBGVQE-HOTGVXAUSA-N 442.501 0.545 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 785614382 SDTICCUJROJVKD-JOCHJYFZSA-N 440.544 0.872 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)n2)CC1 787541753 VOLOUBPIMNPVLU-UHFFFAOYSA-N 425.449 0.186 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1C 793349971 AZPGHOIVBVMEBB-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794791516 UAHZFLCVUPRNNZ-LLVKDONJSA-N 435.437 0.595 50 20 ICGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCCC2)c1 795275423 BHWFPIANVQJDGI-AWEZNQCLSA-N 431.536 0.462 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1C 796126961 UBYLNJPMWDEURQ-AWEZNQCLSA-N 430.596 0.983 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797000374 ABICLFDMSGVXTE-UHFFFAOYSA-N 449.464 0.334 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 800594603 CVXDKOUZMCQTNY-UHFFFAOYSA-N 427.417 0.400 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1Cl 802566197 DLPSEIWLWPOWOP-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)nn1-c1ccc(F)cc1F 808937553 GVULHNLNDLTGGO-KRWDZBQOSA-N 427.433 0.595 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(C)(C)Oc3cc(O)ccc32)n(C)c1=O 814877595 RPKFPOMZNZHPCP-UHFFFAOYSA-N 426.433 0.221 50 20 ICGD Cn1cnn(CCC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1=O 815157404 POABQLJPZZYYME-HXUWFJFHSA-N 434.500 0.746 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 864018278 YEXKSDSSHCARJO-BRWVUGGUSA-N 444.513 0.991 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)cc1OC 913069788 JPUVUSFTNOXVFQ-UHFFFAOYSA-N 425.507 0.837 50 20 ICGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915684753 BXBFAIMQAVJQRV-QAPCUYQASA-N 426.408 0.892 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n(C)c1=O 915958679 QFUYHCAALPWYLT-UHFFFAOYSA-N 433.881 0.561 50 20 ICGD CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 916726858 XWABMHHHEYOMCP-UHFFFAOYSA-N 435.506 0.734 50 20 ICGD O=C(CNC(=O)NCc1ccco1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 917902151 PYUNUDZYANPXOT-UHFFFAOYSA-N 449.489 0.325 50 20 ICGD CN1CCC(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 920307608 ULQQVNZUKIOEGN-UHFFFAOYSA-N 425.580 0.674 50 20 ICGD COC(=O)C1(CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1254427694 AJTKSILGLCWAOY-UHFFFAOYSA-N 442.513 0.934 50 20 ICGD O=C(c1nc2ncccn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777831064 ZIZWXBHJEQNECK-ZUZCIYMTSA-N 427.234 0.258 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036807 GCRRICHSLPVEFS-KSFYIVLOSA-N 446.552 0.107 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779320012 SFSSWEPBVWRNEY-ZQIUZPCESA-N 434.331 0.141 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 1779371164 KDYWXYUVJIKOSL-PDPLOHQNSA-N 441.532 0.859 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374120 AYENICXBNKVJGJ-KIXAIZAISA-N 429.521 0.859 50 20 ICGD COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)c1OC 1780253716 ZCRDSWRQVBUJFO-XBHMSOGKSA-N 441.912 0.826 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780802146 PDXDCIRZMANZRL-DKZVUGQWSA-N 445.325 0.295 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781814368 NHKPAMYWMWQBTN-XJKSGUPXSA-N 433.230 0.937 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1782205665 XQJKVUYXCGEBII-FSPWUOQZSA-N 449.342 0.901 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782692147 JBEXPQMVZFFEOV-KSFYIVLOSA-N 446.552 0.107 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](C)Br)C4)C3)(C1)C2 1783539491 KGCRDXZFAQAWML-YBPHZDCCSA-N 429.311 0.943 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C[C@@H]21)[C@@H](O)CCl 1784085258 DVIJKTOHMKILJR-FQQAFBJJSA-N 435.908 0.759 50 20 ICGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CCC1=O 1784983813 ZMFWZVDLJHECQO-JYYRZZBQSA-N 433.278 0.265 50 20 ICGD O=C(CC(=O)Nc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789679361 ZYSWSLTXHSMGLB-STECZYCISA-N 441.887 0.734 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922441 GAUDULKHTYEAQC-QXALJWCJSA-N 449.346 0.683 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1790963030 KCJNXBTZLKJBSY-YTFOTSKYSA-N 430.343 0.760 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCC=C1F)C2)c1ccc(B(O)O)cc1 1795737008 SAYFJHMOZAEZOQ-QKSJRXBFSA-N 434.248 0.315 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2 1796439641 UMOKUXBHJJPFPW-MVWKQCAASA-N 445.520 0.669 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796569829 BRVDNZKVMPTMHV-XGUBFFRZSA-N 441.916 0.745 50 20 ICGD Cc1cc(C)nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797750985 ZMWRYTXYXRCPMW-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnnc(Cl)c1)C2 1798440548 AHZRLBLEWXYYBT-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)n1 1799347495 OIQJBFLCPCDSMX-ZMJPVWNMSA-N 433.278 0.423 50 20 ICGD Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799559016 HYSLWKZNUQGNPM-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nc2nccn12 1801010987 DUBVBYNHSAWFRX-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3scnc3c1)C2 1801011254 DOSZHVJLTBMPDV-YVWYUNDQSA-N 445.545 0.873 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)[C@@H](O)CCl 1801384574 SEXXXIXXLXCKMS-XSEPRYCASA-N 435.952 0.860 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1 1803973027 NZCDRFIPYLHWSG-WKCHPHFGSA-N 449.316 0.634 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cccc(O)n1 1805670177 GEJVOQJQCVOADP-DYESRHJHSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncs1 1805971572 DGWXDUXNWQOXJC-VQIMIIECSA-N 436.302 0.851 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807360318 KJCMVSXRZUXMMV-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362554 VVSVKGAGDFQRSD-UWJYYQICSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368580 VQDOYTVBEXBWOX-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnn1 1810722382 BBSVLNGIFHKVBY-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1812477045 UCTPSMFEZQICMQ-KCMWZYNZSA-N 426.452 0.758 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2csc(N)n2)[C@H]1c1cccnc1 1813070832 LJHSDBREHXXYNZ-KDOFPFPSSA-N 445.549 0.813 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCS1)CC2)c1ccc(B(O)O)cc1 1815347831 SANZJPNKWSCMIO-HIFRSBDPSA-N 431.348 0.944 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474080 LPDNDZRJZVPTQR-GOSISDBHSA-N 436.281 0.751 50 20 ICGD Cc1nccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477055 XTGOXNWMRUJAMD-KRWDZBQOSA-N 434.265 0.808 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826620713 IVXRHFPNZFRUOF-LJQANCHMSA-N 447.536 0.581 50 20 ICGD CC[S@](=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828783066 FTBROCHDDOWKOW-QJWGWKRISA-N 448.394 0.758 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1828924676 XMXOBEKEUJKJFT-MAUKXSAKSA-N 442.520 0.055 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1830533250 IQPAGVFPVLONMW-KXBFYZLASA-N 446.386 0.816 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1830535327 MNRJAHXSXDKCIP-VKJFTORMSA-N 432.359 0.568 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)Cl)CC1 1831878705 NCAHYOXNYNDLCJ-LBPRGKRZSA-N 442.307 0.850 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CC2(O)CCC2)CC1 1832459380 KATUUAPVXWGCAR-HXUWFJFHSA-N 428.338 0.905 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1833264383 FFZKEJSRLMQSSJ-KGLIPLIRSA-N 431.375 0.724 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833319176 ZPLKFNHMJHKGCV-RDTXWAMCSA-N 433.839 0.689 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833709450 WNTQBCMIPGEYBD-DIFFPNOSSA-N 447.305 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(OC)cn3)CC2)CC1 1834316755 FONVHVHMGWXBDP-MRXNPFEDSA-N 439.944 0.924 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440366 NKIKTXSVDQBWPX-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1 1835736960 NBNFJVIQHQTPES-UHFFFAOYSA-N 440.548 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(O)cn3)CC2)CC1 1837587057 CYYCWUZDWKUOKA-UHFFFAOYSA-N 447.536 0.772 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838579182 DLUCINOLBAOZFI-YLJYHZDGSA-N 437.880 0.237 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200689 PJXOUGPWZUTDKS-VKEIJJBBSA-N 446.273 0.845 50 20 ICGD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1840027508 CKYCBMSGSWZBPT-IGICKNSGSA-N 435.427 0.709 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)s1 1840032335 VQFKOCSFTRJENQ-MEDUHNTESA-N 447.355 0.629 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccccn1 1840184881 HEKDZJKBMRAKET-JTSKRJEESA-N 447.536 0.015 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385706 RTBCJFFBPXDSTM-QAPCUYQASA-N 443.342 0.903 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840462614 LOKCRLIFMSTTHH-KSSFIOAISA-N 443.342 0.450 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1840517942 WCXPKUQHWYXKTQ-YWWBLUBBSA-N 429.926 0.521 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1 1841287921 ODXQXHXDYNSXAC-FZMZJTMJSA-N 433.299 0.716 50 20 ICGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ccc3nnc(Br)n3c2)C1 1843126233 NKJODMHBXPJCLK-LLVKDONJSA-N 442.701 0.909 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2ccccc2F)C1 1846074493 DDAIPVNTPWRHOH-UHFFFAOYSA-N 427.436 0.720 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1S(=O)(=O)N1CCCCC1 728380255 NVZNLJJKNNBYJU-CYBMUJFWSA-N 429.520 0.057 50 20 ICGD CS(=O)(=O)CCNC(=S)NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1 729157919 LTTNLWCOUNOOID-UHFFFAOYSA-N 445.596 0.316 50 20 ICGD COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730765725 MXFCRAIZYNVUHF-SSDOTTSWSA-N 445.288 0.341 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 731501383 SFDGIYAZHWNDQI-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 731848227 CEFYTXVGEKHILR-CQSZACIVSA-N 441.510 0.483 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)C(C)C)c(=O)n2Cc1ccccc1 733128220 LUVZIXJEPDEODN-OAHLLOKOSA-N 440.504 0.867 50 20 ICGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 735647660 XXCJCBXKDGWSHQ-QGZVFWFLSA-N 432.444 0.473 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 737065230 OJXGSIYVDOJSTP-HNNXBMFYSA-N 449.508 0.264 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 740810357 VLCDLWPMINBZMN-HNNXBMFYSA-N 431.536 0.604 50 20 ICGD O=C(NNC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccc(-n2cnnn2)cc1 742035705 WKXYSWFSJSIMHS-UHFFFAOYSA-N 426.824 0.920 50 20 ICGD C[C@H](CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 742469654 GEUZDSOCVCGKJQ-MLGOLLRUSA-N 444.469 0.491 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1 743632798 SUVWSKSKZISBSJ-UHFFFAOYSA-N 427.408 0.068 50 20 ICGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(Br)ccc2O)C1 743731886 BRIRLNNMVDFFEG-JTQLQIEISA-N 434.312 0.977 50 20 ICGD Cc1ccc([C@H](C)[C@H](O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 745756745 NXAVRCRRRKNLOS-DCPHZVHLSA-N 428.441 0.990 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659060 BFOUOSMKWCDORV-NSHDSACASA-N 429.430 0.031 50 20 ICGD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1Cc2ccccc2O1 754171344 VIDJDRPBFPVJAH-MRXNPFEDSA-N 434.430 0.703 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)ccc1OC(C)C 755056340 MDHUYRGOBZNNQB-LBPRGKRZSA-N 439.494 0.344 50 20 ICGD NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 756773759 CUDNKPKSNKFFDT-WMLDXEAASA-N 442.428 0.144 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCNC(=O)C(C)C)c1 757663637 NROMLRFTHYIBPC-UHFFFAOYSA-N 441.554 0.823 50 20 ICGD CC[C@H](CN1CCCC1)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 758848407 KSFJBACFFHJSOR-MRXNPFEDSA-N 425.555 0.820 50 20 ICGD COC(=O)c1ccc(NNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc1 759740405 WXSHYQONHMDPLT-UHFFFAOYSA-N 434.474 0.954 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1F 763680589 UMPUFJFPEGXYBE-UHFFFAOYSA-N 445.375 0.672 50 20 ICGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 763791522 UUMBGSMOTVYFOP-UHFFFAOYSA-N 437.412 0.428 50 20 ICGD CC(C)n1ncc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 763921783 ONFUGRKCXHMYNE-UHFFFAOYSA-N 433.432 0.993 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763948522 KULTUIJDBCTCRV-UHFFFAOYSA-N 440.416 0.398 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cccc1S(=O)(=O)NC1CC1 764234723 IEOTVKHWQKVWAC-UHFFFAOYSA-N 441.469 0.707 50 20 ICGD CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764425411 PMXCKEJHPRZVSS-KRWDZBQOSA-N 448.476 0.213 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 765303455 LMIIHPCUKBMKQI-UHFFFAOYSA-N 441.510 0.582 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)Cc1cn2ccccc2n1 765758325 JDEYYLSGORYIKY-UHFFFAOYSA-N 435.488 0.548 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC3CCCC3)CC2)cc1 766636663 RACUIFSMCWMHPD-UHFFFAOYSA-N 438.550 0.408 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(-c2ccncc2)n1 766652421 OVPOLYMPORNFSA-UHFFFAOYSA-N 447.499 0.701 50 20 ICGD COc1ccc(-c2cc(-c3nnc(SCC(=O)NNC(=O)C4CC4)n3N)n[nH]2)cc1 768450671 GOHIASJWVDVQBV-UHFFFAOYSA-N 428.478 0.707 50 20 ICGD Cn1nnnc1CCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 772582381 YLLWKJYPTWMCPY-UHFFFAOYSA-N 447.459 0.155 50 20 ICGD COC(=O)Cn1cc(C(C)=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 772836992 LCRJHZTWQMLEFE-UHFFFAOYSA-N 434.478 0.390 50 20 ICGD COC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCCCC1 776186164 VRZLSWDAZJRSAX-UHFFFAOYSA-N 440.570 0.993 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H](CO)C[C@H](O)c1ccccc1 778651120 UFGQLWNVZMPFLG-ROUUACIJSA-N 428.493 0.508 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 783343190 OWSLRTCFDPTLRS-UHFFFAOYSA-N 431.474 0.197 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(=O)N(C)C(C)C 787555906 REJIVZDWHGPAJR-UHFFFAOYSA-N 443.460 0.584 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 792847791 ATABVKQNIMLOHL-JKSUJKDBSA-N 445.563 0.250 50 20 ICGD C[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)NS(=O)(=O)c1cccnc1Cl 792853920 HLKRBLYMIYKBBA-NEPJUHHUSA-N 438.959 0.284 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795182757 XJEGMULCEYQDRY-UHFFFAOYSA-N 440.547 0.921 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 797368741 GKRVEOUJVBNRSO-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 800621863 ARNQLWKXIAJXIW-UHFFFAOYSA-N 442.363 0.689 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C(F)(F)F 805140845 QHPPKPBSTSJCRP-GFCCVEGCSA-N 426.417 0.356 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806568982 GMVBTSZMJDMSAO-JOYOIKCWSA-N 444.407 0.746 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3cccnc3)no2)cc1 810339481 KOTSLYLYIFRYSO-UHFFFAOYSA-N 431.434 0.512 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 810398407 KSTZWIXMNURFJC-UHFFFAOYSA-N 441.469 0.814 50 20 ICGD CN(CC(=O)NNC(=O)c1cccs1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 822019108 ZETUIWZLQRMHJC-UHFFFAOYSA-N 428.474 0.538 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913155402 DSWYFLSXILCCJH-UHFFFAOYSA-N 429.462 0.019 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCNC(=O)c1cccnc1 916443606 OMUTXYFNSDSGFY-UHFFFAOYSA-N 436.266 0.983 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)NNC(=O)c1ccccc1O 916649954 XTQFRIOEMGLRHQ-OAHLLOKOSA-N 448.501 0.994 50 20 ICGD O=C(NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919889864 VQWPORUGOCJHGF-IAGOWNOFSA-N 430.486 0.675 50 20 ICGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCC(=O)N2CCOCC2)cc1 920383873 HITUPMGOBJXICR-MRXNPFEDSA-N 438.506 0.135 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl 1116095908 XGQUCBPZKPMQSF-SNVBAGLBSA-N 435.911 0.076 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnccn2)c(Br)c1 1116946939 UPVLDGAHWXCOPH-UHFFFAOYSA-N 435.281 0.266 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1337786425 WVDDWTQOXQIEAY-UHFFFAOYSA-N 448.505 0.638 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1778382246 FTNFFJRNACQRTE-QGZVFWFLSA-N 430.292 0.264 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779031309 RGPMUOOGFNEQMU-QHCPKHFHSA-N 433.468 0.180 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020690 CWAYIEITBVYPFN-AUUYWEPGSA-N 437.884 0.028 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1781560414 JYIPLAKGXKCEIF-DDUZABMNSA-N 444.847 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(F)(F)C(F)F)C2 1782209398 MMLCOADKCUMWBE-SJKOYZFVSA-N 440.438 0.774 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1783295304 CLVQYUGESUQPNF-DEOSSOPVSA-N 436.317 0.751 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783354450 AHOIGQNEEXRMIM-SUMWQHHRSA-N 427.299 0.247 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783539544 LAYQHNMKXGAOEA-TVQRCGJNSA-N 430.221 0.278 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784782325 KDSQDNIXWRUPEE-NRFANRHFSA-N 446.460 0.525 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785080513 ZITLEHZUONAVQI-MZNJEOGPSA-N 447.300 0.751 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786898044 BOFPMTPVUMIJGV-PEDHHIEDSA-N 434.331 0.202 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)CCC1 1788059960 ZZFCFYKFZDBMQE-INIZCTEOSA-N 432.525 0.086 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21 1791252883 VVAQIFFNEWRIFJ-NXOAAHMSSA-N 429.945 0.623 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)C1(O)CCC1 1792474297 HBKHQFGOCHXNKE-CEZVNPBESA-N 445.520 0.261 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1792868070 OKJAGUBBDYNEBO-MWGHHZFTSA-N 427.242 0.717 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ncn(-c2cccc(F)c2)n1 1794287788 YFJDXNKURZOLEV-NOXHYTERSA-N 437.859 0.209 50 20 ICGD O=C(COc1cc(Cl)ccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188708 KTVIWETVNSZBDO-BCDXTJNWSA-N 443.696 0.746 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=O)c1ccc[nH]1)C2 1802333266 RCBPHNOZFHARSJ-MUJYYYPQSA-N 432.525 0.146 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CO[Si](C)(C)C)C2 1802843684 BKHYAJBYCZAZIP-BZZMCLGOSA-N 435.601 0.947 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccns1 1805217890 JZRCRURUODBHFH-APWZRJJASA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369754 UPPDPNMSZKVZQA-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371398 UDCQWSAHJGGWKC-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1813071491 UCZXXWPWCNRCEY-PGRDOPGGSA-N 441.536 0.816 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814901109 QETHBVVPUWDQQZ-GFCCVEGCSA-N 441.278 0.241 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(N)=O)CC2 1817283192 WXMCEVPSKCTXQB-DLDHGHKKSA-N 445.505 0.455 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)[nH]n1 1819402987 QWDGEKDMAXAHAX-INIZCTEOSA-N 437.464 0.680 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403873 KNPOOWNRQYQNRX-ZBEGNZNMSA-N 442.480 0.239 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823786964 BKSBJZZRJUDYSZ-RTWAWAEBSA-N 443.353 0.514 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)CCl)CC2)C(=O)C(=O)O 1824666707 BEOYDEKQHHMIOK-VIFPVBQESA-N 430.914 0.863 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829582417 BHUUKNZVTHZRSY-RDTXWAMCSA-N 448.303 0.413 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C1(O)CCC1 1829733044 CJRMZJPLJMVRCQ-WMLDXEAASA-N 433.343 0.779 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1829808650 YEOBXZMMCPBLLW-GMBSWORKSA-N 428.892 0.982 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1830534814 CKVXONYFIKZRHT-UGSOOPFHSA-N 443.294 0.950 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733069 DCECOOIOFZSQQP-VQIMIIECSA-N 425.844 0.367 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165966 TXXWOUIBTYSDBH-OCCSQVGLSA-N 446.342 0.933 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1831650863 LLFBKUBFHZVSMB-OXQOHEQNSA-N 438.912 0.884 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1 1833214751 MAJPVANJEIMSMV-INIZCTEOSA-N 446.976 0.888 50 20 ICGD CC1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833306187 LWGAMRGGRYXILB-LJQANCHMSA-N 429.005 0.890 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1833530157 MWWKLCKYKYSSDX-MRXNPFEDSA-N 441.960 0.517 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834298497 JYGUXZLXJDNBIJ-CXAGYDPISA-N 427.299 0.720 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835098068 AACSLNKEIUTHGM-CYBMUJFWSA-N 428.877 0.103 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361107 AROSJJYFCBGQKU-KCXAZCMYSA-N 431.375 0.064 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710026 CQYUWHDWKGRUMZ-HXUWFJFHSA-N 438.601 0.958 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715372 MOSRVEVTRFQEPR-OXJNMPFZSA-N 428.602 0.867 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642808 MHNHYBCPHJMRGS-YVEFUNNKSA-N 443.298 0.013 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839250817 MZEIPARGUZYTHB-MAUKXSAKSA-N 449.287 0.421 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840155150 RAAHNQDQKFJYMS-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840204852 QLACRVYJKIABCX-NHYWBVRUSA-N 429.823 0.139 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1840407369 JQKPFZACRMKZRM-IIDMSEBBSA-N 443.342 0.992 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938335 OEHZNWZVPKNBPN-VQIMIIECSA-N 446.386 0.960 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841354121 IXDVYOKGQMUSDT-YJYMSZOUSA-N 431.917 0.161 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844177132 MPCMLRQKDZMPQV-WPCKFNLTSA-N 426.477 0.159 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264249 YEYHHHLVANTVCA-LBPRGKRZSA-N 429.506 0.459 50 20 ICGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845219966 RSKVMSZEAPWBIE-CQSZACIVSA-N 425.295 0.950 50 20 ICGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847090307 NBTVPLGXKBQLOY-STQMWFEESA-N 430.933 0.976 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)C(=O)C1 1847122433 APSBUZMAHVDLJF-OAHLLOKOSA-N 446.907 0.804 50 20 ICGD Cc1cc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)c(C)o1 725874139 WEAJWWKEJRXQTA-UHFFFAOYSA-N 433.490 0.887 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 728332641 LMWLCAOXGMHKBJ-WMLDXEAASA-N 447.488 0.802 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)COc1ccccc1O 730781184 GYQQUOAWOIBUQQ-UHFFFAOYSA-N 426.433 0.310 50 20 ICGD COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731500030 XJZQLWJKBHJAOS-UHFFFAOYSA-N 443.485 0.928 50 20 ICGD CCc1cc(N2CCC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)ncn1 732914063 GLEHDJRZBHPNOP-INIZCTEOSA-N 436.480 0.628 50 20 ICGD CC(C)c1cc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)on1 734071576 IRIYBPZINIYLIC-UHFFFAOYSA-N 437.526 0.955 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 741206652 BDMLSLNBFFIKIE-KRWDZBQOSA-N 445.545 0.950 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 745645270 TXJZKBGBPXJCSK-UHFFFAOYSA-N 429.458 0.596 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1OC 748112362 XRSAFOWVLNNJCJ-UHFFFAOYSA-N 444.510 0.090 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1)c1csc(N2CCOCC2)n1 751142317 NJEDSABCNCOXNK-UHFFFAOYSA-N 448.429 0.579 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)NC1CCCC1 751271682 KPHYGMAPMMBIGE-UHFFFAOYSA-N 444.457 0.962 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 753020385 QZVSFGWLBLWAAU-LKBUQDJMSA-N 447.492 0.904 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1I 755344257 NMCFHYWYZYZQCD-ZETCQYMHSA-N 426.236 0.382 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)CN3CCN(Cc4ccccc4Cl)CC3)cnc21 755516463 HWRPOBIOEACDSG-UHFFFAOYSA-N 442.911 0.596 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 756208329 ZUSUOGKBYLTRQN-GOSISDBHSA-N 439.476 0.956 50 20 ICGD CN(NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786799 ORDYWNLMTKYPFR-UHFFFAOYSA-N 444.496 0.976 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC(C)(F)F)c(=O)n2Cc1ccccc1 760104005 MSQVZDSKWVMBLY-UHFFFAOYSA-N 448.430 0.621 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1 761063941 OCLKHKBTRJNBPP-UHFFFAOYSA-N 441.554 0.915 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 763001993 MWTKHBQVLWEPTF-CQSZACIVSA-N 448.501 0.296 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763159251 SWBOPRWYNCMFTJ-KFLWBIJHSA-N 429.458 0.450 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763471737 XMNDODVIIPKGLO-UHFFFAOYSA-N 427.373 0.947 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccn(CC(F)(F)F)c1=O 763573269 RNLZNBOLTKFFKZ-CYBMUJFWSA-N 440.334 0.337 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(OCCN(C)C)c1 763681597 WIGZLXLBIJAIJQ-UHFFFAOYSA-N 439.472 0.972 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763727293 BOFHLSFMMTUKTH-UHFFFAOYSA-N 428.449 0.136 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763805638 UDRWILAFCOZLHU-UHFFFAOYSA-N 430.373 0.475 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)cc1 763809868 SNVVXMGPGIJSMM-UHFFFAOYSA-N 426.473 0.992 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)cc1 763872581 OSLHFLGCXMYMPS-GFCCVEGCSA-N 440.412 0.888 50 20 ICGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)S(N)(=O)=O 763975624 KOWPDCZKSDJMPE-VIFPVBQESA-N 428.467 0.108 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(N2CCCNC2=O)c1 764006021 IIGSRNOTRRPBQN-UHFFFAOYSA-N 439.428 0.777 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c(C)c1S(=O)(=O)NC1CC1 764110977 BZDBBEABGQBRMT-UHFFFAOYSA-N 436.412 0.782 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 764126799 JGUXGBHWMYJOJQ-UHFFFAOYSA-N 434.474 0.370 50 20 ICGD O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)NNC(=O)C(=O)NC1CC1 764609256 UYSFFPHTZBFMNT-UHFFFAOYSA-N 430.446 0.698 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 765404729 IWEPKADQUTZDAH-UHFFFAOYSA-N 441.510 0.643 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765616996 QMVSIYFONYKVHF-UHFFFAOYSA-N 433.421 0.947 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 765660835 FKTHHWOCSUBNCZ-QGZVFWFLSA-N 437.566 0.963 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O 766641018 WWXDOWUPEOVXAP-UHFFFAOYSA-N 448.867 0.092 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1=O 766664802 UUBUZSZHSCMNLB-UHFFFAOYSA-N 432.912 0.495 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cc(Br)ccc1O)S(=O)(=O)C1CCOCC1 768159710 QKVJLQXLQVDBTC-VIFPVBQESA-N 435.296 0.898 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCOC4(CCC4)C3)nc2)CC1 769194385 PXSKMVNPAGXQFT-HNNXBMFYSA-N 438.554 0.746 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(Cl)nc2)C1=O 771251120 NIQRFXLTYSHZOS-IBGZPJMESA-N 431.836 0.972 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1Br 771902433 KVOZYAIOODBZOL-SECBINFHSA-N 426.314 0.437 50 20 ICGD CN(CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccs1 772017297 UUKFRPXWPVITRJ-CQSZACIVSA-N 440.503 0.539 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772884353 JGQNXMLCBSYVLJ-LLVKDONJSA-N 442.863 0.798 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 772953773 IVJBQJBYDYJFLB-QMMMGPOBSA-N 445.657 0.980 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1F 773898314 AYTUQVIJJHMZMK-UHFFFAOYSA-N 427.392 0.586 50 20 ICGD O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777894 RQHJBQJZTSZMRX-UHFFFAOYSA-N 436.303 0.311 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 778480810 SFYYDAPSFMMIET-OAHLLOKOSA-N 440.416 0.058 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 782964236 BEVVUTGKBWPNCT-UHFFFAOYSA-N 437.172 0.832 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cc(Cl)ccn2)cc1 784861698 QYIODGSDTXLNGV-UHFFFAOYSA-N 427.870 0.742 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1 787542223 ICBIOGHVILJRII-JTQLQIEISA-N 439.425 0.037 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)n(C)n1 793062677 SXXSAXBPLOADPR-OAHLLOKOSA-N 443.464 0.091 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797450471 ZTZDMTIPOXOOHF-HXUWFJFHSA-N 433.486 0.911 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799532639 VGJUJASBDXMAAQ-UHFFFAOYSA-N 435.300 0.162 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCNC(=O)OCC(F)(F)F)cc1 802063612 MMAIOVVMIJHHOW-UHFFFAOYSA-N 426.373 0.921 50 20 ICGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NNC(=O)Cc1ccncc1 807548125 SRWDRJDVYCRWCP-UHFFFAOYSA-N 425.898 0.895 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc3ncccc23)cc1 810360607 VCFQOPKVQWHXDM-UHFFFAOYSA-N 441.469 0.933 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)nc1C 810932482 NXLSBYCAQSGXMN-UHFFFAOYSA-N 429.405 0.662 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NN=Cc2c(N3CCOCC3)nc3ccccn23)cc1 814967293 DXCDOBHHVSZNAZ-UHFFFAOYSA-N 443.489 0.974 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cn3ccccc3n2)cc1 915909203 AAVHXCWXOUUXGA-UHFFFAOYSA-N 430.490 0.794 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC 916561810 GEVKOGAWYDPOCL-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN4CCCC[C@H]34)nc2)CC1 916639717 XPAFZEDELSDIOL-IAGOWNOFSA-N 437.570 0.271 50 20 ICGD CC1CCN(c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1 919886157 QUBDCEPOAAHBNP-CQSZACIVSA-N 439.494 0.962 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCCNC(=O)c2cnccn2)N(C)c2ccccc21 1123815696 IXEQLNMXISPJRS-UHFFFAOYSA-N 433.472 0.993 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1320069678 BLTXVIWTUHWWON-YVEFUNNKSA-N 433.433 0.968 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 1340529810 SMNYCOVTERAAHR-UHFFFAOYSA-N 444.923 0.673 50 20 ICGD Cn1ncc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cccc21 1778027462 KGYDFODKEKYLTH-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380454 LINWKBHOTCUMBS-FQEVSTJZSA-N 449.584 0.312 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371528 XLXTZOFNUYKDOG-AVBTWRTFSA-N 433.509 0.095 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446376 IRRCOLHZOKIUCZ-YQSPIZQZSA-N 447.536 0.585 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781319100 OZKMPLGHGBEOJV-JUALLIRVSA-N 435.427 0.711 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)N1CCN(C)CC1 1781334118 MITKKERCMGISJG-JKIFEVAISA-N 435.338 0.143 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cccn1 1782562311 SKHWYRDOUQCALF-CSODHUTKSA-N 434.541 0.331 50 20 ICGD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CC1(F)F 1783141107 AWFHCRYJQXCYIV-NSISKUIASA-N 436.264 0.539 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)OCCO4)CCO2)C1 1783876077 RQAUQXALOYYCSF-BFUOFWGJSA-N 425.869 0.550 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3cccc(O)c3)C2)C1 1784127200 PIDSCFCJVYWKMA-QFIPXVFZSA-N 432.521 0.528 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1cccs1 1784379106 NUEPDIHMBYDGJS-VFNWGFHPSA-N 428.319 0.675 50 20 ICGD CNc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1 1786830001 BKQVLMOOSPUWNW-WDSOQIARSA-N 431.537 0.695 50 20 ICGD COc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984178 OGTPDPSRJSNTGX-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)cn2[nH]cnc(=O)c12 1787448227 YYSVVBZWQBQPSV-GZCFXPHUSA-N 425.848 0.459 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788507084 SPIBBIVRVZLDMA-RVMXOQNASA-N 443.346 0.473 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]3C2)CC1 1788764116 MHEHDYDTTQUTCR-FHWLQOOXSA-N 440.661 0.455 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791255446 RPWJRAPUOUGHHJ-MITNFZOXSA-N 431.917 0.749 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292909 BFHZMOWHOXSXMA-CAMMJAKZSA-N 447.536 0.202 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3)[C@H]2C1 1791807605 WQDDOWYGVVUZDD-OSMBCOQSSA-N 433.534 0.174 50 20 ICGD O=C1Nc2c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)cccc2C1=O 1796188738 NVLJSJAOZSYJPO-MUJYYYPQSA-N 447.256 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn3ccccc13)C2 1798440540 ZYRNVTNHHOFJGA-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccnc2c1OCO2 1798473420 BRJIPGKWAGGNPT-PKCZLINISA-N 430.230 0.704 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)nc1 1801016045 ZBYTZXSVQQWHIW-DDFAGTSDSA-N 436.317 0.492 50 20 ICGD COC(=O)C12CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cnccc3C(=O)NN)C4)(C1)C2 1801876104 WIWMJMOMINRDHY-ABHVRBQOSA-N 441.488 0.280 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Br 1801964058 WSHMVCLYSRDFCM-WNBCSMFUSA-N 433.299 0.903 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803820331 MFOQTHJXPKPWJX-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804647642 HZYUZVHAFVRMOT-SIKLNZKXSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360539 SUDLJSYRHYTUAN-GCJKJVERSA-N 445.288 0.114 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972689 NHMXIDCQGVQBOC-UHFFFAOYSA-N 437.305 0.555 50 20 ICGD O=C(CCc1cncnc1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810080344 GTPCHRVLSFDUJY-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1813331089 UPMHLSVPVRUNAO-PGRDOPGGSA-N 448.288 0.620 50 20 ICGD Cn1nncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1816035015 OVSNXWJOLCKKAQ-CQSZACIVSA-N 438.452 0.156 50 20 ICGD Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817470909 LULCWURBIMZBSA-SFHVURJKSA-N 434.265 0.808 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476763 ZZCSBVCIIOACHP-ZWKOTPCHSA-N 440.309 0.969 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1819463272 NPJVWDYMHOUXAW-ISVAXAHUSA-N 449.327 0.905 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1819660050 PDSUMEUDJQNLKC-LBPRGKRZSA-N 447.456 0.720 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819890700 KTEXDSZSQRULDK-YHAQOWFVSA-N 447.355 0.489 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089407 CCHYDPPSBGMPEX-STRFDMGBSA-N 436.538 0.468 50 20 ICGD N#CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548011 CJXBGTYKOMFRPN-UTKZUKDTSA-N 448.907 0.952 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1830537817 PQPOIXBRXFLHKB-GUYCJALGSA-N 429.315 0.521 50 20 ICGD COc1ccc([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)cc1 1830719889 NSAXKRFEKJEIAZ-RRMPHLOHSA-N 440.924 0.855 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830962737 RNMBQZZATWNYLF-QGZVFWFLSA-N 427.299 0.261 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793461 LLBZQYDLFZUFAS-YJBOKZPZSA-N 443.888 0.655 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n1 1833080879 RMMLOILZFRKBQY-KDOFPFPSSA-N 443.342 0.679 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833734773 BVTLADBNKCNMTB-QGZVFWFLSA-N 447.305 0.966 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421680 DHQBENFIUWLICG-HNNXBMFYSA-N 446.390 0.790 50 20 ICGD Cc1[nH]ccc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800174 WMMCTRNZCUPJRE-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834873528 JBQYKAKSVQBTDB-ZDUSSCGKSA-N 427.347 0.633 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836048317 FCMZRZQJTKKWKD-SFHVURJKSA-N 441.326 0.651 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccccn3)CC2)CC1 1837415394 OKRDCBWXUKAZDX-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1837713304 VEJYFOWTBKDJBH-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)cc3O)CCO2)C1 1838890442 WFXUBSGUOZTNAD-OXJNMPFZSA-N 442.896 0.725 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839144792 KUKHJAZDPCUFPQ-JWXAPSBJSA-N 446.957 0.263 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccnc1 1839199143 QLUONVMQJMZVQC-XJKCOSOUSA-N 433.278 0.591 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839637900 XCVIGSQZTKREGE-RKVPGOIHSA-N 434.375 0.814 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756233 NKAFZRDVXMVZCG-WQZUMXOESA-N 435.456 0.079 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1839966195 XHFFIAFZMJZVHU-WMLDXEAASA-N 429.315 0.962 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840032167 PKSOLJLVXQBUAD-MLGOLLRUSA-N 449.733 0.776 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103418 ABUJFPZLAFDBTF-HXUWFJFHSA-N 429.945 0.720 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841354118 IXDVYOKGQMUSDT-BFUOFWGJSA-N 431.917 0.161 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(C#N)c1 1844264917 XQBYGGNOEWUMAF-UHFFFAOYSA-N 448.483 0.625 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CCOC1 1847565411 PISFPGVLHLUUCP-WFTHSTBKSA-N 431.917 0.472 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 9930685 QRIPGULLDHVGSW-HNNXBMFYSA-N 443.547 0.303 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1 15545068 ULMXFVCWOFAMQZ-UHFFFAOYSA-N 445.476 0.465 50 20 ICGD C[C@H]1Cc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2N1S(C)(=O)=O 23787554 ZNJKLANZWFRHNH-LBPRGKRZSA-N 441.473 0.448 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2=O)cc1 728847980 RUYZZEWUHXSJNW-INIZCTEOSA-N 438.488 0.902 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 729231423 VWZMVVTWEMNTOV-PBHICJAKSA-N 434.474 0.956 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 729274912 HEKONUIPXAIJAO-GFCCVEGCSA-N 440.503 0.186 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCCCc2ccccc2)c1 729283055 MGGFXMJTCZXVRM-UHFFFAOYSA-N 432.502 0.447 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c(OC)c1 729963710 PYBZQFKRQXOWPD-UHFFFAOYSA-N 437.430 0.142 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1 731344303 FTNLOQRLUHPGQZ-OAHLLOKOSA-N 437.497 0.956 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1nc2ncc(Br)cn2n1 734240741 XXAUCBWHYCPGML-UHFFFAOYSA-N 443.262 0.356 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)n[nH]2)cc1 734685947 IKXRMKYBQCATTP-SFHVURJKSA-N 441.536 0.736 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)c1cnn(C)c1 735524233 KVBLZKRPMDUYJM-UHFFFAOYSA-N 445.505 0.264 50 20 ICGD O=S1(=O)C[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)[C@@H](N2CCOCC2)C1 735919168 BYOZUDWAYSHQJR-SJORKVTESA-N 436.983 0.634 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cccnn3)CC2)c1 736697346 HCXIHBCONLYNNF-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD CC(=O)N(C)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 742029156 CPKCSMJSIMWENY-UHFFFAOYSA-N 432.506 0.685 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 743319855 LABIUTAUVBVQNR-CYBMUJFWSA-N 437.522 0.493 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)ccc1OC 744554836 PVSNDAXIAZMFDA-UHFFFAOYSA-N 446.441 0.093 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 746590987 HALGXZHTJKMYIM-UHFFFAOYSA-N 445.457 0.789 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCc4nnc(C)n4C3)CC2)cc1 750789233 SOOYYLNBPCFJOY-LJQANCHMSA-N 425.537 0.423 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCc1cc(C(N)=O)no1 752128532 AABQTMQHSHYMLD-MRVPVSSYSA-N 426.227 0.834 50 20 ICGD N#Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)COc3ccccc3C#N)C2=O)cc1 753722963 MOWOZQMTOTWRKX-SFHVURJKSA-N 432.440 0.940 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Br 755028001 ZXYRXBFYXGLRGQ-LURJTMIESA-N 434.721 0.350 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 755987780 FRPLTXPXGPEILS-UHFFFAOYSA-N 425.405 0.558 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(-n4ccnn4)c3)cc2)CC1 756012929 RECRFJMBILVRNR-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 757893661 QADGYDWSCBEJBR-ZETCQYMHSA-N 437.272 0.326 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)n[nH]2)cc1OC 763153138 XJXLVFQTFLIWCG-UHFFFAOYSA-N 442.388 0.625 50 20 ICGD O=C(NNC(=O)c1ccccc1Br)C(=O)Nc1ccc(-n2cnnn2)cc1 763482903 NMWYQYLKXDGEPS-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763559820 WDKNEMXXMGXAJN-UHFFFAOYSA-N 428.401 0.330 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 763623941 RRZGSUAEGAYPOR-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD CN(C)Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763718865 PPTCHJJJFKYILR-UHFFFAOYSA-N 447.517 0.398 50 20 ICGD COc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763787295 WPWPORLNXCVBBG-UHFFFAOYSA-N 429.820 0.995 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763809369 VUNAJQXDXPQBKK-HNNXBMFYSA-N 437.456 0.948 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 763849449 LORYTEJTORITPQ-OAHLLOKOSA-N 442.472 0.982 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764166550 CAKIXMHJYAJIMT-QGZVFWFLSA-N 425.445 0.276 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 764389102 YOJURVIKVIWGQC-UHFFFAOYSA-N 438.419 0.904 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)cc1 764558010 FFHBFFIDXVJARZ-KGLIPLIRSA-N 428.507 0.982 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1nc2ncc(Br)cn2n1 765318100 ZVEUSVHABYKLHY-UHFFFAOYSA-N 442.274 0.953 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)OCC(=O)N2 766639682 ABPUEHPCKIDJBX-UHFFFAOYSA-N 437.456 0.237 50 20 ICGD O=Cc1cccc(OCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 766642263 LGPMOINOJQVXBC-UHFFFAOYSA-N 438.484 0.873 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1nnc2ccccc2c1O 766654732 VAAZNUMDECQCAL-UHFFFAOYSA-N 434.456 0.554 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 767204362 KUPZFOVPAKVHKM-JKSUJKDBSA-N 425.507 0.910 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 767240359 OKTCABBOZMHPEH-IRXDYDNUSA-N 429.473 0.793 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767851645 RQQZVASHWDYQON-UHFFFAOYSA-N 428.330 0.469 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 770392087 RVGRTGLJSDARQZ-JOCHJYFZSA-N 438.440 0.994 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 771913115 KQSWHXHHKKDVMD-IGQOVBAYSA-N 427.523 0.772 50 20 ICGD Cc1cnc(N)c(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 773232709 JPWNJHZLSINIRW-UHFFFAOYSA-N 439.519 0.380 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)C1 773412307 VVZJYONMUZWJAN-LLVKDONJSA-N 431.453 0.236 50 20 ICGD O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 773711293 UCQPNBFPQJXKNV-INIZCTEOSA-N 426.360 0.475 50 20 ICGD CCC(C)(C)NC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 774196580 GQEQTGPPYPAGIA-UHFFFAOYSA-N 441.623 0.985 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)COc1cc(C)ccc1C 777841007 VUEHRHQLBDJEJI-UHFFFAOYSA-N 437.474 0.808 50 20 ICGD COc1cc(C#N)ccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783264351 NJFLWQCCEAVRHA-UHFFFAOYSA-N 432.462 0.730 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 784002976 YTUXZMLOGQSUBG-UHFFFAOYSA-N 428.401 0.837 50 20 ICGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003643 KCSVCNVLJOBLHM-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(Oc2cccnc2)nc1 784004392 FSCCOHNCLQACJU-UHFFFAOYSA-N 440.441 0.846 50 20 ICGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1 785234609 NNZVZHXXLMQJRC-BETUJISGSA-N 448.455 0.748 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Cl)c1 786358363 HRYDQQJTJRPUTR-OMNBBPDLSA-N 449.847 0.197 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNc1ccccc1S(N)(=O)=O)C2=O 788228415 KAGIVHWZTVRJQV-BLVKFPJESA-N 437.522 0.914 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 789738720 IBWOIYVZIIWIFT-SNVBAGLBSA-N 425.392 0.503 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1C 790253003 TXFYEQUUGCOKFR-UMSHPIDHSA-N 434.562 0.990 50 20 ICGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)COc1ccc(Br)cc1 792017274 FKIIFVMOXMAGIC-SFHVURJKSA-N 438.278 0.897 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CC(C)(C)O)N(S(C)(=O)=O)CC2 792628026 DWJXIXWWMZPNTK-AWEZNQCLSA-N 443.522 0.261 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 793027233 WTHJEPPVSNYPIX-SNVBAGLBSA-N 444.872 0.188 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794077466 VTLXZXDKNWPJIE-CYBMUJFWSA-N 438.444 0.755 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C 794578378 JFGXVZQDNLCDOF-UHFFFAOYSA-N 427.460 0.255 50 20 ICGD CCn1c(NNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 798278928 UAXYAXSSIDIXEF-UHFFFAOYSA-N 446.445 0.746 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812978805 DBRDWULXUCTFOR-UHFFFAOYSA-N 438.488 0.084 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)cc1C 813373759 GPSNOGSAZPTGCF-QGZVFWFLSA-N 428.493 0.886 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 815778133 DGGLPFPHQWUXHN-DLBZAZTESA-N 426.477 0.595 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 843482156 HIOSCUYDKAZYNN-OAHLLOKOSA-N 433.486 0.975 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 913053490 VXCUYLZPIIEVGB-MRXNPFEDSA-N 436.582 0.160 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914833396 FISRHUQLIVKNSM-GXTWGEPZSA-N 440.547 0.439 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCCC3)nc2)CC1 916196253 WHYHYCDZPPNWLI-UHFFFAOYSA-N 425.559 0.130 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)n1 918217638 LGVCZYZGAZFLKS-HNNXBMFYSA-N 430.465 0.986 50 20 ICGD CCn1c(SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 919883227 BWQVQPPKURUXTK-JTQLQIEISA-N 428.496 0.168 50 20 ICGD Cc1nnc(SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 1317978368 UCZZDVWYXHYEJV-AWEZNQCLSA-N 438.535 0.244 50 20 ICGD Cn1ncc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1778018666 QOIDEGHDNGFWCM-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779320009 SFSSWEPBVWRNEY-VBQJREDUSA-N 434.331 0.141 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781248160 SMTZPVASFOSCMU-RBZFPXEDSA-N 448.432 0.098 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334012 UHXWGZASHKJGRD-GUYCJALGSA-N 428.258 0.920 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096172 SZODSPLZQCEOEN-PTOXDTDZSA-N 428.888 0.956 50 20 ICGD C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508291 VMJCLRJPVGLCIQ-MPKALDKKSA-N 427.505 0.904 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1)c1cc2n(n1)CCNC2=O 1787568165 WMMYXDJAXWCLCR-MRXNPFEDSA-N 431.880 0.974 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c(C)o1 1788610630 NDMVNUXRQHTNMG-JVPBZIDWSA-N 441.488 0.802 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790372432 ARODFJPRABYFOT-HNKHHVNMSA-N 426.901 0.513 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791288600 KGPRYQOAQVJRCA-KKUMJFAQSA-N 438.550 0.723 50 20 ICGD Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)nn1C 1792978575 GYLNQUZWKIUIHJ-LSCVPOLPSA-N 449.733 0.294 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(C(F)(F)F)o1 1796405464 GJOXWHGHPWXIAO-VLEAKVRGSA-N 425.791 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCSC1)C2 1797754085 LSLSAFIDIFFQNJ-ZJOBFFGXSA-N 433.534 0.032 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1798440595 RZGYCVPYUOQDEG-BJWYYQGGSA-N 439.516 0.636 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800640089 UVAPIUYYVPBATN-DFGXFYAUSA-N 445.402 0.387 50 20 ICGD Cc1ccn(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1804621695 OHBNZTRDCXANEF-DENIHFKCSA-N 447.304 0.286 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)ncn1 1804964068 LWIGEOHJEOOIJG-RCBQFDQVSA-N 433.852 0.489 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807054298 HCQCEGVTCGRXIR-ATVPRXPUSA-N 440.342 0.464 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363330 DDZLFMJCDUIRCB-MISYRCLQSA-N 439.321 0.488 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972641 XJOSCPMFVMJRMP-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1c1cccnc1 1810300500 ZEPLCPXQCDOIRK-WMLDXEAASA-N 434.460 0.437 50 20 ICGD Cn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339582 HZPNLBDMVSOKIR-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815774155 XBWFAPMSDSYWAC-JMJZKYOTSA-N 441.286 0.783 50 20 ICGD CNCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817312347 MTRWSJKCXNHBGM-INIZCTEOSA-N 428.497 0.714 50 20 ICGD CC[C@H](NC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817996015 DDDAXLHCIZHFFA-JSGCOSHPSA-N 436.517 0.222 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827236706 QNYPBLWGBUKVIY-SFHVURJKSA-N 440.508 0.210 50 20 ICGD O=C(c1cccc2ncsc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731044 HGISMPZLBZSFMO-KXBFYZLASA-N 439.921 0.966 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831651007 MTBLOFBRQMAUKQ-HNAYVOBHSA-N 440.884 0.652 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833091641 KRPVETLYTOTGSH-ZBFHGGJFSA-N 433.278 0.338 50 20 ICGD CN(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)nc1 1834011440 VZKOEMDHTZGSGF-IBGZPJMESA-N 437.972 0.933 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834820211 PTPFXBJRBUPBDC-SFHVURJKSA-N 432.359 0.570 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933996 JVQKGSPTHMUVBE-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048986 CNHXRHUHPQFDKZ-OXJNMPFZSA-N 435.912 0.746 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1839962763 QNJAOOTZSZHUIQ-IGCXYCKISA-N 434.331 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840150287 IRZCRRVNQOEODC-OXJNMPFZSA-N 440.928 0.471 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1840155157 RBLOXBCEJPIABL-UTKZUKDTSA-N 448.907 0.954 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358463 IZJRMYMGJORFHI-IAGOWNOFSA-N 434.324 0.361 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840855411 HCZFOPCTELYJLX-YEWWUXTCSA-N 448.358 0.531 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)c2cccc(Cl)c2)C1 1842939561 CUBWTKTXBUIYAK-KRWDZBQOSA-N 442.907 0.856 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130553 JYLCEOZZHMMANV-OAHLLOKOSA-N 435.333 0.891 50 20 ICGD COc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1F 1844265465 GCWFYPBDSGMPAC-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845216415 POYIGHVDGRFNIX-JOYOIKCWSA-N 443.273 0.887 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 14843427 ZJVHPBKJBMRKDV-UHFFFAOYSA-N 436.468 0.902 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1cccs1)C1=NS(=O)(=O)c2ccccc21 18021868 HUNHURQPAXIEEJ-UHFFFAOYSA-N 436.471 0.133 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 20920911 VGNWXALQIKYPFB-UHFFFAOYSA-N 431.452 0.930 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNc3nc(-c4ccncc4)no3)CC2)cn1C 728070775 HHYLYCWZRNJLAO-UHFFFAOYSA-N 446.493 0.718 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccc(Br)cc1 729275030 JRZFTBKOKDRADT-SECBINFHSA-N 444.311 0.642 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccccc1 731200268 IWYSSLJANXTHHW-UHFFFAOYSA-N 446.529 0.909 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1 734241048 AOPZQNYIDXUXGP-UHFFFAOYSA-N 429.499 0.210 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c2ccccc2c1=O 744877972 MERMHMYKEQWQBM-QGZVFWFLSA-N 434.456 0.679 50 20 ICGD CN1CCN(Cc2cccc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)c2)CC1 746096157 AVJLRZWEMKPVEL-UHFFFAOYSA-N 434.500 0.756 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 746239707 PCHDDZSIOUGDJI-INIZCTEOSA-N 426.404 0.446 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 746270270 SOJOUAXGPOAKAD-AWEZNQCLSA-N 433.465 0.361 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(F)cc1Br 747914509 BTAPBSWOQLXBRZ-UHFFFAOYSA-N 440.291 0.694 50 20 ICGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2ccc(F)cc2Br)c1 749732696 ISAAEAPJBLNBFI-UHFFFAOYSA-N 434.247 0.283 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N1CCN(C)CC1 750664717 IXERUTPCFBMEGP-KRWDZBQOSA-N 448.531 0.785 50 20 ICGD Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C(=O)NNC(=O)Cc2ccncc2)c1 753185897 KXHIYIJVDGZIES-UHFFFAOYSA-N 446.467 0.792 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O)c1 754675243 ZZUYQVKQQZZAOB-LBPRGKRZSA-N 434.540 0.094 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 755261523 XSDVURQXOCTSSR-RPLLJCPNSA-N 442.472 0.845 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 755584487 BWOGZPDVXDBLLR-UHFFFAOYSA-N 442.461 0.570 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1ccccc1)C2=O 757834776 LKPZNPJFHYHJMO-GFENJXEQSA-N 430.461 0.738 50 20 ICGD O=C(NCCc1ccncc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 762669338 XBEUFRHVCBLFPQ-UHFFFAOYSA-N 433.490 0.289 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 763540491 VZIXSGVVODJQCK-UHFFFAOYSA-N 445.428 0.828 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 763544290 VPHYOJSBAGWFLT-QGZVFWFLSA-N 442.428 0.005 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763746474 XTDAIZPXPMNNTB-UHFFFAOYSA-N 448.487 0.899 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc2O1 763857333 NJRPZUJUHUEIRQ-SFHVURJKSA-N 436.424 0.825 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(Br)ccc1F 763917532 WDFAFFZZJDCGKK-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1F 764281575 YYEIXVNHZKGNHG-UHFFFAOYSA-N 441.412 0.793 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)COC)c1 764299775 MYWLTLYMDOROJF-UHFFFAOYSA-N 444.510 0.237 50 20 ICGD COC(=O)NC(C)(C)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662711 CJXICLPEHLYAAD-UHFFFAOYSA-N 425.917 0.740 50 20 ICGD CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 768229202 AHUJMWNEGJFALQ-UHFFFAOYSA-N 427.392 0.564 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c1 772419107 WCHLGKKMALNPPZ-UHFFFAOYSA-N 433.490 0.420 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772898288 PSIKNPMMPBNVCB-HNNXBMFYSA-N 444.941 0.698 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CC(=O)NCC(F)(F)F)CC1 779667357 VUUCSGZXXZXZLY-UHFFFAOYSA-N 425.408 0.785 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3ncncc3Cl)cc2)CC1 782160763 XFAXLUFDKKPYRW-UHFFFAOYSA-N 431.884 0.990 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 782703121 WUTIJXMCRPQZHD-VIFPVBQESA-N 442.906 0.984 50 20 ICGD Cc1cc2ccccc2nc1NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 785160119 UYXIWEFCDTZOBG-UHFFFAOYSA-N 437.460 0.680 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 790114465 UCZUZTGDBFBEAF-KRWDZBQOSA-N 431.474 0.351 50 20 ICGD Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 797005135 PYKMIJMGQSPKPA-SNVBAGLBSA-N 442.881 0.932 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)cc1OC 797428266 USIGJWQKVROKKH-UHFFFAOYSA-N 437.430 0.667 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNc1cc(Cl)nc(N)n1)c1ccc(S(C)(=O)=O)cc1 797750824 LQDMPCNXEVODJZ-MRXNPFEDSA-N 426.886 0.610 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)cc1 801106656 FHENTRICNOKFEC-KRWDZBQOSA-N 425.424 0.999 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2)C[C@H](C)O1 802031720 HRMKRNWEAUZTLN-KBPBESRZSA-N 433.490 0.768 50 20 ICGD COC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 804125454 ARAXBLXBLVVMBP-NSHDSACASA-N 440.400 0.347 50 20 ICGD Cc1c(C(=O)NNC(=O)N2CCN(C)CC2)cc(Br)cc1S(N)(=O)=O 807381607 AHQBUZDPJLHRPS-UHFFFAOYSA-N 434.316 0.007 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OC 807727614 VYWZWENBOYSUSA-ZIAGYGMSSA-N 447.444 0.183 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1conc1C1CC1 809933449 HICMAZUEVNLBFI-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 815691856 CXUSXSBKAFBKGN-BYNSBNAKSA-N 426.481 0.493 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1nc(-c2ccccc2F)cs1 815691997 HBPDNJUOWMJJFL-SNVBAGLBSA-N 429.437 0.889 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)CCN1C(=O)COc2cc(Br)ccc21 915282447 HFOBOEOHKLTGGR-UHFFFAOYSA-N 427.255 0.237 50 20 ICGD C[C@H]1CN(c2ccc(CNC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cn2)CCO1 916392923 PXAWBHFYNJQJRK-KBXCAEBGSA-N 427.461 0.977 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1C 916562680 SBRJMSQRDUHRSZ-QKKBWIMNSA-N 429.477 0.890 50 20 ICGD Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 919887282 ZFQKBWWCRIXCKI-GOEBONIOSA-N 437.522 0.756 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 921166068 FQOLJFJRDSXIOE-UHFFFAOYSA-N 434.456 0.553 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1115911933 CPEWGQZLUKWIEE-OAHLLOKOSA-N 426.454 0.776 50 20 ICGD CN(C)C1CCN(CCNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1116389744 ABTOTNUKSKLWHZ-UHFFFAOYSA-N 440.589 0.990 50 20 ICGD Cn1ccc(NNC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)n1 1320980764 DSJRRKGLNOHADL-UHFFFAOYSA-N 447.521 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778737674 UNDRRIWWQOFPDW-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844881 KRZLOBBFKOLYDW-BZNIZROVSA-N 429.319 0.180 50 20 ICGD CN(C)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780641771 VGSOQVRCSQOLEY-HSZRJFAPSA-N 437.305 0.190 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325948 TVLGWWJREXVAFI-GXTWGEPZSA-N 427.292 0.413 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782605971 FIVAXXBTESCVHI-BRXULGCHSA-N 429.319 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1783879814 BBGPYPBTCWOOSR-ULMVMLMRSA-N 427.929 0.471 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1783933488 LCZMPMXFPFPQRP-HXUWFJFHSA-N 426.583 0.865 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C(F)F 1783935809 WZZGMFQBWRBVIE-IBGZPJMESA-N 442.467 0.403 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783964092 KAROQHFMTJDFRW-XUXIUFHCSA-N 439.372 0.432 50 20 ICGD CC(C)Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n(C)n1 1784089402 BAZVTPNWXUYEKD-IKICRFKJSA-N 426.945 0.812 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056323 SZSSXLVVQMUXNO-NDKCEZKHSA-N 433.347 0.457 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1791253479 AJIOIQDSHJCUIE-KNJMJIDISA-N 435.952 0.934 50 20 ICGD Cc1cc(C)nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791289067 HQRSVDVULFCVIN-LNLFQRSKSA-N 431.537 0.665 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793699428 OWFAKQUZCNZGQG-KPEUIFRASA-N 425.869 0.717 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1cccc(N2CCOCC2)n1 1796620315 WJCXORXEASBOKO-RMHZUWNSSA-N 426.876 0.656 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(n1)OCCO2 1796722656 SVAZRRZHWAUYKM-QDMKHBRRSA-N 431.493 0.478 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797847747 QAPLSUOHOLWUPO-IULUFPOFSA-N 438.289 0.575 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CNC2=O 1798222827 GIFUQCYZTXYPLH-BJWYYQGGSA-N 427.505 0.555 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1C#N 1799240656 BEWSDWMXWXXLBR-WQDJSCAQSA-N 435.908 0.953 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c(C)cc(C)nc13)C2 1800978518 SWVFWEZELPKWOR-YALNPMBYSA-N 435.912 0.803 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CCCCO1 1802584554 MZWOCOLYTUMTOJ-JBACZVJFSA-N 437.305 0.650 50 20 ICGD Cc1onc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1C 1803888961 GRGYABREILCWKC-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340832 OAAZNJMSHZIFDR-BBRMVZONSA-N 432.340 0.917 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362902 XEEJVCAOEGFVAG-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369757 UPPDPNMSZKVZQA-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)c1 1810297909 GBIUHVSJTUWXOU-BEFAXECRSA-N 448.487 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1c1cccnc1 1813067586 ATXDERVMKBWYGI-GCJKJVERSA-N 430.553 0.556 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1814095060 PXWDZSUUYMGTOC-FKZIFTSASA-N 437.261 0.112 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474487 DVTPIBGVWVRNEX-GDBMZVCRSA-N 434.689 0.649 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817479128 HEZHSQMQZVAFQK-LJQANCHMSA-N 448.292 0.818 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)o1 1817534420 ALMGUOGGADHOPG-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD Cc1nnsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818253876 OUEUBTXTLKLEAS-HNNXBMFYSA-N 440.294 0.869 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1819595641 SXKCNTZRHPTOKF-MAUKXSAKSA-N 439.589 0.904 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413288 RHFOKRHEDYHAGH-OAHLLOKOSA-N 446.512 0.831 50 20 ICGD O=C(CC1(O)CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1823037485 KFQDREXBMMIOLK-KRWDZBQOSA-N 426.282 0.701 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824884851 JAFFLOFVJWCABR-OAQYLSRUSA-N 443.353 0.468 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050356 OAZJUEBIYCCILH-NRFANRHFSA-N 438.337 0.955 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CCO2)C1 1830199807 NCIKMTYRXZPAGH-AUUYWEPGSA-N 427.885 0.876 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738577 QCWQMYPVNVUXIF-PXNSSMCTSA-N 428.888 0.814 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1831640365 LRFGRTKZZBZKPO-KDOFPFPSSA-N 436.958 0.757 50 20 ICGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1ccco1 1832663537 CJVVWGKWUXRICW-BBRMVZONSA-N 433.230 0.609 50 20 ICGD Cc1cccnc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832773521 FCCYJHZNKNBQLP-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819465 OKUPATPCPRSELJ-DYVFJYSZSA-N 434.331 0.143 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609538 ROHWARVLWHGODO-KDOFPFPSSA-N 434.375 0.862 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc[nH]3)CC2)CC1 1835863411 REGIYLOTRZHMOC-UHFFFAOYSA-N 439.520 0.512 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836045858 UCKJYWSJXAJARM-LRDDRELGSA-N 432.340 0.925 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1836848391 GNQLOJZRSHEQRX-MRXNPFEDSA-N 438.974 0.674 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1 1838789913 JOZJXZMZHJDQCJ-DNVCBOLYSA-N 428.917 0.788 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1OC 1838840495 SFGANFJTDUOTCX-MAUKXSAKSA-N 431.848 0.703 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839151095 IAHAPQPWNXYLFX-ZWKOTPCHSA-N 448.303 0.392 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839151962 JKHKTDRDKZLAIF-SNRMKQJTSA-N 445.347 0.774 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839966443 DXQSCTMJFJGQAP-WMLDXEAASA-N 434.331 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840034286 HDGGUCAMVQZAMT-YVEFUNNKSA-N 425.283 0.740 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840150849 RVXODPLZPKQDMJ-GUYCJALGSA-N 433.292 0.454 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152298 DVJDPUBVDKIZAI-RDTXWAMCSA-N 431.873 0.145 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840154572 ZQTGRUHHQRFHSM-IFXJQAMLSA-N 441.868 0.134 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840182701 QDJKTAIWLVZLKE-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188506 NIXWTGJOMYSFLC-SJCJKPOMSA-N 432.308 0.537 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840684662 XPIDBPWZBUJHBB-VQIMIIECSA-N 430.860 0.504 50 20 ICGD COC(OC)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841487156 KSGYFCPEKRJYMI-UHFFFAOYSA-N 433.509 0.155 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(C)(C)C 1847705160 CKKDUPGTCURFAV-PCXFNGIVSA-N 444.536 0.873 50 20 ICGD C[C@@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)O1 10259336 LMSUVDZUQZECRF-ZIAGYGMSSA-N 440.570 0.812 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2C)nn1 725740264 CIHSPJGCBYQGBR-UHFFFAOYSA-N 429.462 0.622 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)cc1 726502443 UDOOGKZILFESKW-MRXNPFEDSA-N 445.497 0.908 50 20 ICGD CCOc1ncccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 726871481 UKTCRDASTHVTGH-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728983845 UEHJUFXYWMPVLH-UHFFFAOYSA-N 434.478 0.231 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c2ccccc2c1=O 731595598 UCNGBNXANMNTSL-UHFFFAOYSA-N 434.387 0.693 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731630601 JDDMRKJKCQGQTC-GVDBMIGSSA-N 432.502 0.429 50 20 ICGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)CC2)nc1 733350164 PWIIUGWCFGZKSL-UHFFFAOYSA-N 434.460 0.543 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240684 WOUIZEHWVWCAKN-HUUCEWRRSA-N 440.545 0.174 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2cnn(C)c2)cc1 735445975 MTDVPIIRSIOWAD-QGZVFWFLSA-N 433.490 0.627 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(N3CCNC3=O)ccc2F)n1 738698058 CQLBCRNNVZHXCJ-UHFFFAOYSA-N 435.437 0.667 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 740749025 HZBWKTALSJLDNO-KRWDZBQOSA-N 426.539 0.491 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 743257895 REHISWUIWFIKTH-SECBINFHSA-N 434.565 0.841 50 20 ICGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCS(=O)(=O)c2ccc(Br)cc21 743446300 RLSLNPHRGIBCQR-UHFFFAOYSA-N 441.263 0.891 50 20 ICGD CN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 746949766 OUJUGMWGAKYGLN-MRXNPFEDSA-N 429.564 0.580 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 747326078 IGPKOQLMJAIHJU-HNNXBMFYSA-N 444.469 0.409 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 756335006 BUEXLRHWYWPZFE-UHFFFAOYSA-N 433.425 0.980 50 20 ICGD NC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 757401929 GXMZDRHBIUEHIU-UHFFFAOYSA-N 438.897 0.773 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 763644093 FSYBOAMRUIOCST-UHFFFAOYSA-N 426.429 0.824 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 763660184 ZAVOFWPVFQSKLC-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NC(C)(C)C)CC2)cc1 764515872 QTJDPWZEQBTTEO-UHFFFAOYSA-N 427.596 0.595 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765619994 UPHPQTOULAHNEL-UHFFFAOYSA-N 427.458 0.321 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccc(O)cc3)CC2)cc1 766636170 LNKQAZHLARFLNJ-UHFFFAOYSA-N 446.529 0.397 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 772001158 AYYCJZHCMAWWRV-QWHCGFSZSA-N 429.495 0.085 50 20 ICGD O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(S(=O)(=O)CBr)CC1 777779924 UHCUJGLAGQNWQU-UHFFFAOYSA-N 445.291 0.998 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778440358 GAINQJCHPBZWMW-UHFFFAOYSA-N 434.902 0.876 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)CCN3C)CC1 779380393 UKRNCMHLMNSZLB-UHFFFAOYSA-N 430.534 0.767 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 780974353 VJQWSPHYUOBCFS-UHFFFAOYSA-N 426.495 0.685 50 20 ICGD COCc1noc(CN2CCN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC2)n1 780988684 IMLKJVNVLPDFME-UHFFFAOYSA-N 440.407 0.990 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(Cl)nc3)cn2)C[C@H](C)O1 784870447 SVQLDJWTRJPDRJ-RYUDHWBXSA-N 435.872 0.649 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2nc3ccccn3n2)cc1 792513817 ZFZVUDGETKKVNU-UHFFFAOYSA-N 445.505 0.633 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 793212868 MEGPGILIWLJHIT-UHFFFAOYSA-N 443.485 0.675 50 20 ICGD COCCN(CCC#N)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800125015 YAFCFGWQGMVMSD-UHFFFAOYSA-N 448.546 0.202 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802097446 LUZLDRAGNGPOII-UHFFFAOYSA-N 438.418 0.546 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc2[nH]ccc12 808934460 GPJNVSRFZBRPAS-QGZVFWFLSA-N 438.396 0.880 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)cc1 810386281 SNLMZGBKVLVJQC-UHFFFAOYSA-N 448.505 0.013 50 20 ICGD CS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 912852156 MJEZHSYIHQQYEQ-UHFFFAOYSA-N 425.492 0.426 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1 912920131 VSZDGOWIVWQMBV-HOTGVXAUSA-N 448.545 0.765 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccn3)CC2)cc1OC 914574841 RPNADCQLWQCPET-UHFFFAOYSA-N 427.461 0.318 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 916737550 APKJPYQRNXTMIP-UHFFFAOYSA-N 438.444 0.610 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc3c2COC3=O)ccc1Cl 918725266 JUGUYRUYZMKIKV-UHFFFAOYSA-N 445.862 0.281 50 20 ICGD Cn1cccc1C(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 918776337 OSCJDFQZKUVLOC-UHFFFAOYSA-N 447.521 0.131 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccn4cn3)CCO2)C1 1779032565 UCGOHEGSLABZEL-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779231508 YTRREUPGIMONFH-LBRALQKHSA-N 427.929 0.589 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1779471406 ALXJLSZRTMDLQB-DKEWWPDHSA-N 441.891 0.643 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1NC(C)=O 1780208685 DZPKLBGHWSQPAZ-OXQOHEQNSA-N 439.896 0.697 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331718 VCWOPRNKMGCBHE-CXAGYDPISA-N 444.257 0.987 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3Cl)C[C@@H]21)[C@H](O)CCl 1784095872 MZWNARSFOHDBQR-BAZWHKJHSA-N 431.316 0.953 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNC(=O)O3)cc2)CCC1 1786419329 QDXVAJKYVLORJA-INIZCTEOSA-N 438.444 0.541 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788248368 KHPLKRJTJVBKEJ-FJIDUMEYSA-N 428.961 0.148 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1788562616 PWVIWOWLHSOJKH-QTVXIADOSA-N 447.374 0.705 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(Cl)s3)[C@H]2C1 1789005383 JAGSPAFRLOSMEI-AVGNSLFASA-N 443.957 0.763 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(OC)c1 1789469062 VFWCDTLPYVBBON-PTOXDTDZSA-N 426.897 0.897 50 20 ICGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)cn1 1789922375 IRRQMTCBNRFAFD-JYYRZZBQSA-N 431.262 0.769 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792244125 KNVQDLSDMVTLMM-HILJTLORSA-N 437.924 0.384 50 20 ICGD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)=Cc2ccccc2N1 1792981407 XVUKYQRXTBBGOE-HIRMHNASSA-N 433.892 0.602 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792989446 IAJKERBDOHVFQN-YFKTTZPYSA-N 437.298 0.700 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1793878201 DGLKPFUNXFBRSP-NEBZKDRISA-N 441.916 0.745 50 20 ICGD CC(C)(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nn1 1796191876 IVYBDVQZUVTNAD-BJWYYQGGSA-N 425.298 0.279 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC1CCCC1)C2 1797749746 MSFNQBVOAAREDO-CWPLJXCYSA-N 429.521 0.859 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccc1F 1801012102 CVANXTCNRAAARY-YVWYUNDQSA-N 436.484 0.411 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Br 1801967278 NISIJXQGAFAMJH-WXMODFLSSA-N 440.342 0.879 50 20 ICGD Cc1nc(C(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)c(=O)[nH]c1C 1803141722 RLJKBXPDJYOTGL-INMHGKMJSA-N 433.896 0.701 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1806342736 CJTABNJGKSQMMS-QBYUYEEZSA-N 425.327 0.595 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1)C(=O)O 1807209008 JABOHSSHXRTSPY-HWMZRRJGSA-N 426.901 0.404 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361145 VWDFKEGOGNEGMJ-YSIASYRMSA-N 439.321 0.488 50 20 ICGD Cc1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1807362537 LDXJQIHXRYNLKE-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946783 CZSGYEMMMDZXEK-BPNCWPANSA-N 434.819 0.062 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n[nH]1 1810420253 HVWQXGPUFAHWBS-XMSQKQJNSA-N 447.304 0.355 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814893597 YHIHUEKCBSUXRK-OALUTQOASA-N 439.325 0.880 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819262288 SVIZURHNUANPKP-INZIPBBXSA-N 446.338 0.554 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819401723 PLJOKIAADMGXQI-UONOGXRCSA-N 435.872 0.314 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403872 KNPOOWNRQYQNRX-MEDUHNTESA-N 442.480 0.239 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1830362148 MTVLIKUSJXCURU-IBGZPJMESA-N 431.917 0.550 50 20 ICGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)CC1 1835736791 HWTSCCAHJGPTCD-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c12 1839610220 BURSJFMEXVQSOB-OXJNMPFZSA-N 436.896 0.312 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840152529 KZLMCGKNFDNUFN-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cncn1 1840418897 NMOLDLOVYLQLEO-CRAIPNDOSA-N 425.562 0.147 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cncn1 1840418900 NMOLDLOVYLQLEO-YJBOKZPZSA-N 425.562 0.147 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354805 XMUWPINAFHSXLM-IRXDYDNUSA-N 425.888 0.676 50 20 ICGD O=C([C@@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013014 YXMKLAWIOKGOET-NHCUHLMSSA-N 434.301 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)Cn1ccnc1)C2 1843417145 BOYUHKNUISIXKS-DSDXLYQOSA-N 425.493 0.857 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ncon2)C1)NC(=O)NCc1ccccc1 1844593418 LFRLXQLWNLEIBQ-UHFFFAOYSA-N 427.465 0.233 50 20 ICGD CCn1c(=O)n(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 12929677 ZNQBNWJNFNWSAA-UHFFFAOYSA-N 441.400 0.736 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 13367817 WUQVDGDOJQHGKM-UHFFFAOYSA-N 445.450 0.398 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 725871559 NIJCSFLJXSOQBA-UHFFFAOYSA-N 441.488 0.917 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F 727498875 SITNNJDQERPMDI-UHFFFAOYSA-N 432.437 0.411 50 20 ICGD CN(C)CC(=O)NNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 727761606 SNSRXJNEUXPKER-UHFFFAOYSA-N 426.520 0.661 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)n1 728731511 BVMMPCYJTHDRQL-ZDUSSCGKSA-N 434.474 0.973 50 20 ICGD COc1ccccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 731493144 RIGPOCUOMLYSEA-UHFFFAOYSA-N 437.449 0.930 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc(OCC#N)cc2)CC1 735117309 QCKDSXZWGLJPOG-UHFFFAOYSA-N 444.517 0.606 50 20 ICGD CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cnn(C)c1 735472709 AESLQMKDFJZXKI-PXUDHTSWSA-N 437.547 0.893 50 20 ICGD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 737054380 NHYPNBJYHFZSSG-UONOGXRCSA-N 439.538 0.670 50 20 ICGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 740738635 LWYSDEIEBWTOOW-JJCDCTGGSA-N 432.454 0.943 50 20 ICGD O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746594594 QMWYVUMTGYUTHG-NSHDSACASA-N 444.926 0.405 50 20 ICGD Cn1cccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 747597755 QQWLEIXFDITULY-UHFFFAOYSA-N 426.882 0.774 50 20 ICGD Cc1c(NC(=O)CSCC(=O)NNC(=O)c2ccc[nH]2)c(=O)n(-c2ccccc2)n1C 747663576 MQJKUPYRURWSOS-UHFFFAOYSA-N 442.501 0.945 50 20 ICGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753019447 QXCQWXWSSYVQCD-UHFFFAOYSA-N 444.535 0.212 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755173663 HUXCGYCNXQOEPJ-UHFFFAOYSA-N 438.428 0.848 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 756812408 JZUHQPKLCRDRDG-FQEVSTJZSA-N 431.470 0.258 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC[C@@H]3CCCCO3)nc2)CC1 761039208 YWTNBYISCOMBDY-INIZCTEOSA-N 440.570 0.993 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)c3cnn(C)c3)ccc21 761170088 WAEXBGCJIAJXNN-UHFFFAOYSA-N 428.453 0.151 50 20 ICGD CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 761206138 OIGSCTRZSODOHF-UHFFFAOYSA-N 431.518 0.832 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccnc2)c2ccccc2O1 763492560 ZOYUXOBFQUXBQC-GOSISDBHSA-N 439.472 0.942 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)c(=O)n(C)c1 763694557 JIVBQJGIXJZLNJ-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2cccnc2OC(C)C)c2ccccc2c1=O 763785600 JRSFJPVBSKURHZ-UHFFFAOYSA-N 438.444 0.998 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1C 763894971 JDJSMQIRVZUHAN-UHFFFAOYSA-N 436.469 0.345 50 20 ICGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763917183 QWQYBDZZOCDMPB-UHFFFAOYSA-N 437.416 0.629 50 20 ICGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc21 763943993 JMDPUIDMBSAGOR-UHFFFAOYSA-N 436.428 0.806 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 764204979 WPNQCODXXOOIDA-UHFFFAOYSA-N 432.441 0.053 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 764401963 UZJOTWKCIRDVLL-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD Cc1cc(-n2c(C)cc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)no1 764813100 UXGDIAWZBRCNTD-UHFFFAOYSA-N 438.448 0.288 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 765247668 IEWHMRXTANTGSF-UHFFFAOYSA-N 427.490 0.986 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 765312586 GJDQVMZVKTYKGF-HXUWFJFHSA-N 433.465 0.807 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)c2ccccc2S1(=O)=O 767261387 SMVUGENTPUNQAC-UHFFFAOYSA-N 445.453 0.073 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(CC(F)(F)F)C1=O 772973546 QDQAITRFPXERKW-LBPRGKRZSA-N 426.359 0.160 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)nn1 773495140 YSCSWYGDZQQSBW-UHFFFAOYSA-N 429.824 0.789 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n1 773861018 AIPOBVNICLWLCK-GARJFASQSA-N 430.918 0.265 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 778432882 CCXUVFRKHFCDFF-OAHLLOKOSA-N 434.493 0.976 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)c1ccc(Br)cc1 778642239 WHBVTNZIEXUVEL-LBPRGKRZSA-N 425.239 0.836 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)ccc21 778707201 NPYJNZFEQNLGFW-UHFFFAOYSA-N 444.419 0.526 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CCn2ccnc2C1 779664940 FMOFAQFLYDONAJ-HNNXBMFYSA-N 432.506 0.627 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)nc1 782146050 VKFSUKZQYQABGC-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 784002584 HSJLREZGVYAQJQ-CYBMUJFWSA-N 438.868 0.606 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 790956387 GXFHMBMTEWCDHO-WBMJQRKESA-N 429.433 0.240 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792237521 LGBMAZRPIDCBMJ-INIZCTEOSA-N 441.454 0.476 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 795195294 HNQABUKLYSLONO-AWEZNQCLSA-N 441.506 0.877 50 20 ICGD N#CCOc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368815 HFTCBQACXNOLKI-UHFFFAOYSA-N 425.401 0.601 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1Br 802032081 NAHBNVCGBGXPPQ-UHFFFAOYSA-N 442.295 0.983 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(C3OCCO3)s2)cc1 806343432 DVRBRIPBIBPFIL-UHFFFAOYSA-N 440.503 0.579 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806974632 PYADEJHFUUDDQO-UHFFFAOYSA-N 443.803 0.707 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)c2)nn1 812979438 TYPXXMSLUOOIHZ-UHFFFAOYSA-N 440.391 0.522 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3C)c2)nn1 812980111 KWRGLLWWGIBEAU-UHFFFAOYSA-N 436.428 0.691 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1Cl 914831783 UZQSRSJDUMTZBC-KOLCDFICSA-N 434.301 0.790 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 916734037 ZZASKQDOHMGARJ-UHFFFAOYSA-N 425.398 0.641 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 916830534 FMKBALAEVJCTIC-AWEZNQCLSA-N 438.440 0.905 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1I 919886858 VWRDMEGLTBHCTP-SECBINFHSA-N 437.259 0.731 50 20 ICGD CCc1ccccc1-n1cnnc1SCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889860 VQLUDRUBSPBUEW-ZDUSSCGKSA-N 438.535 0.439 50 20 ICGD CCO[C@H](C)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920093165 NTEDFRUEFVPYJJ-DOMZBBRYSA-N 443.522 0.525 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 921172782 YOHAOXFNKWETLR-UHFFFAOYSA-N 436.471 0.558 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 1319425246 PRTGIHFNVZXYMU-CVEARBPZSA-N 438.554 0.302 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@H]1CCS(=O)(=O)C1 1321403042 AILZDHDJXVTQRG-LBPRGKRZSA-N 444.560 0.404 50 20 ICGD Cc1csc([C@@](O)(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C(F)(F)F)n1 1322132717 FVASJIKFMCBIQV-UFBFGSQYSA-N 430.430 0.109 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778599805 PCLKPABELJXLLF-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028050 ADHASNSUQLNFNT-JOCHJYFZSA-N 438.488 0.400 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779422522 QQUZGHDOSZMTOV-BBRMVZONSA-N 432.702 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1783933073 CALJDAUXWZUEJS-PGRDOPGGSA-N 446.504 0.029 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3o1)CCO2 1783935887 ZBHOVVBMZXEDGT-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)NCc1ccccc1 1784053693 YHCUVRQRBIRFQL-VNLAQXSGSA-N 449.935 0.438 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131950 AJSRMKCLPPQUEB-PDRSJUDOSA-N 445.520 0.501 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)s3)[C@H]2C1 1785454882 APFDCLUQYSXKPN-CQDKDKBSSA-N 447.492 0.793 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510459 KYSCPXGTIQSSNG-XRLDPFIYSA-N 440.880 0.900 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1786407224 LBSUBBPGUXDGLW-XUXIUFHCSA-N 437.356 0.328 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808124 JDMSGJPYCPNLQM-MJKMTRRRSA-N 446.458 0.335 50 20 ICGD CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984673 XQADOPMMTOHWEG-YYWHXJBOSA-N 437.305 0.231 50 20 ICGD COc1cscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787716389 GGIMZQSRPOILPU-ZVZYQTTQSA-N 444.318 0.344 50 20 ICGD Cc1ncc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1791736648 ULDXJHGYCAPADE-SCHHVTGUSA-N 449.577 0.817 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1792872252 TZIFHNUNPPWHRF-QNSTZXKLSA-N 437.356 0.184 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CC(c2ccccc2)=NO1 1796189973 OTIWHIVHMMWUJS-IIZPIQPGSA-N 447.300 0.811 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796860613 MOFSEKMKLOEMKW-VDNDLQMASA-N 428.323 0.575 50 20 ICGD CC(C)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCC1 1797754016 JEZBOMYIHRCKRR-JLVBRIDZSA-N 429.521 0.715 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)no1 1797829111 CORMQYDVJZKNIU-ABXQLRGKSA-N 447.319 0.539 50 20 ICGD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c(C(F)F)n1 1798440444 RCKZZLKWMWMHFA-ZSBIGDGJSA-N 447.446 0.922 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1799275369 UZWPRQLBZRDQBJ-ABXQLRGKSA-N 432.304 0.835 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)(C1)C2 1799346851 HJSVFLYAIWWEEJ-SZPGRNNZSA-N 433.274 0.610 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1799415704 ATCURPJBKHVIAX-MUJYYYPQSA-N 443.696 0.989 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806772089 OTEDEJMPSKQAPN-WHOFXGATSA-N 432.340 0.915 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361356 WVCDAGBEPUHAJA-HKUYNNGSSA-N 425.294 0.506 50 20 ICGD CCc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1811010767 QAGKFLAKKQNDNL-DYESRHJHSA-N 448.288 0.945 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncon1)CC2 1817281628 LLQBJMWNWYMLQT-CTWDJJQWSA-N 442.461 0.886 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716694 QPRQAXWAUGEFND-ONGXEEELSA-N 444.286 0.728 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824884520 GPHGMTGCPONBFW-NRFANRHFSA-N 443.353 0.468 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnc2)CC1 1826079427 ZEALGJPRRBJEJW-IBGZPJMESA-N 439.520 0.815 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052934 PDOSFXIJEMCPBJ-RBUKOAKNSA-N 444.341 0.047 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)cccc1=O 1830358033 KVEDNZVUPIURBX-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1 1830364682 PEPNVKJCPMMEDR-LJQANCHMSA-N 426.901 0.820 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735710 MAWLQLHBKYUYIE-OXQOHEQNSA-N 434.880 0.300 50 20 ICGD CC(C)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccn1 1830738066 LJVGBQCHNDILFL-MGPUTAFESA-N 425.913 0.415 50 20 ICGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738851 VSIOYDFCUQNHRB-QFBILLFUSA-N 428.917 0.028 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833535143 UEELULCYHXNLMU-LJQANCHMSA-N 447.020 0.252 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833767888 GQIBGQVQUXSBBT-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1 1833936303 KFMFXUXCVUKREE-HXUWFJFHSA-N 445.501 0.130 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835456577 WLPOGSUAMPOSSA-QGZVFWFLSA-N 444.960 0.654 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836141036 MSMKQAHVMQCEMT-LBPRGKRZSA-N 440.342 0.739 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837717580 HNIMZKAXZJYELL-ZWOKBUDYSA-N 428.602 0.845 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806125 XPICPZNWFFWDRR-ZBEGNZNMSA-N 432.271 0.020 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1838835582 OTPCXBOGVASTEG-XJKSGUPXSA-N 449.277 0.189 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199175 RTHNFEUEHWFFJP-JJRVBVJISA-N 436.322 0.618 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839436386 RGOMRDDBLOTXKP-APWZRJJASA-N 437.859 0.872 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571309 NIVRJKOKOIZVOQ-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840031197 IPIZNMGJCMMPTR-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840037373 ZADVQMHSOBDFNR-KSSFIOAISA-N 441.326 0.649 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840153350 LNLMOSCDDWTNAV-IFXJQAMLSA-N 437.884 0.053 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1 1840153940 GFVXUPKNVMFDGU-KXBFYZLASA-N 429.901 0.485 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c1Cl 1840188858 HBGXMNDNJTULMC-OAHLLOKOSA-N 425.700 0.947 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193365 FCINDJRLRCYMPN-NHYWBVRUSA-N 439.328 0.044 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840429993 KFFRMAWDMWJFCF-QAPCUYQASA-N 443.342 0.761 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c(O)cc(O)cc1O)C2 1843416773 YPQFEOAQVVQDAT-FSJBWODESA-N 441.444 0.754 50 20 ICGD COCC1(C(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)CC1 1845038248 JJZVDLZEBVAPNH-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2)NC(=O)NCc1ccccc1 1845038347 SFUXLMHJOPOGAW-UHFFFAOYSA-N 427.505 0.515 50 20 ICGD CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1OC 28686982 OJBNIUWJCWTWAN-UHFFFAOYSA-N 448.457 0.998 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cn1C 728971966 NXPANKXGPDYUMC-UHFFFAOYSA-N 437.450 0.146 50 20 ICGD CO[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C(F)(F)F 733661143 RPZZHZONROEABR-LBPRGKRZSA-N 426.417 0.523 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2COc3ccccc3C2)CC1 735118450 VPTGDPSQPQMEEW-MRXNPFEDSA-N 431.518 0.712 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(Br)c2)c1 743263627 IHEHZYFADADDSR-UHFFFAOYSA-N 448.320 0.981 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccccc2Cl)C1 744393923 XBBMNNMRNWTDFM-AWEZNQCLSA-N 438.912 0.835 50 20 ICGD CN(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 746005915 CBNOIAMTRVGROZ-OAHLLOKOSA-N 426.539 0.820 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 746590736 DXBWRARLVCSJFC-SSDOTTSWSA-N 446.385 0.293 50 20 ICGD CN1CCC(N2CCC(NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 747990516 QQRMPUGQOGPOBU-UHFFFAOYSA-N 434.497 0.863 50 20 ICGD Cc1cc(Br)ccc1NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 748730689 BQTHQONQCFVQKS-UHFFFAOYSA-N 431.268 0.871 50 20 ICGD CS(=O)(=O)c1cc(Br)cc(C(=O)NNC(=O)C(=O)N2CCCC2)c1F 748733611 UNPDVAUHUDNRLD-UHFFFAOYSA-N 436.259 0.375 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C#N 749770848 GLZLCVXQWZLUIU-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 750568581 MRUIUSYMHFBMIW-UHFFFAOYSA-N 433.446 0.160 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C(=O)N(C)C 753034198 DLIZWFUXGBYOGI-CQSZACIVSA-N 436.476 0.809 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 761730682 WIXMKJNRLQSJAR-LUVWLHFXSA-N 444.513 0.925 50 20 ICGD CCc1noc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763509869 USYWOOMFUZNBIU-UHFFFAOYSA-N 449.489 0.730 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 763831577 OWCSWZBDRJMAFM-UHFFFAOYSA-N 441.492 0.643 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 763837452 GDHSVCXAISYFLK-UHFFFAOYSA-N 446.439 0.246 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)C1CCCC1 764064627 LPORMXANAFMGQV-UHFFFAOYSA-N 431.493 0.359 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(O)c1 764105502 SRZLYVHSDRQFIP-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccc2OC)c2ccccc2O1 764131134 FEAQMQOJPOJPAC-QGZVFWFLSA-N 427.413 0.352 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 764277062 HAIGCQDBPBWLNY-UHFFFAOYSA-N 428.401 0.509 50 20 ICGD Cc1cc(Br)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1[N+](=O)[O-] 764297389 QNCGBESMAYKXQT-UHFFFAOYSA-N 425.199 0.717 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764314076 RSJBLWJUBYTJOX-UHFFFAOYSA-N 448.476 0.937 50 20 ICGD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764425709 RCORVSJAYRWJQV-CYBMUJFWSA-N 430.255 0.738 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 764432934 KHGINEQOTPVQGJ-OAHLLOKOSA-N 434.836 0.051 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 765124565 BLURUHNQYDVMRT-UHFFFAOYSA-N 427.530 0.994 50 20 ICGD CCOC(=O)c1n[nH]c(C2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 770037690 GDTALLRHHFRKCY-UHFFFAOYSA-N 425.449 0.494 50 20 ICGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982240 FGURKQYTVHDRSI-CQSZACIVSA-N 429.506 0.993 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 771871113 SFQQWYQKLYNPRH-CQSZACIVSA-N 441.506 0.129 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)c2ccccc2c1=O 772569939 XBGLRCZEAVGLHL-ZDUSSCGKSA-N 426.477 0.811 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNc1nc(C)cc(C)n1 773479177 XHZSBNZVSRXMJF-UHFFFAOYSA-N 433.421 0.988 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 773645343 YYWFLZWYZHBWNF-STQMWFEESA-N 445.436 0.509 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)O1 774769733 AORQJCVMRZOUNT-KGLIPLIRSA-N 443.298 0.794 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccccc3OC(F)(F)F)cn2)CCN1 778802360 XGWUXEAXQQMNJW-UHFFFAOYSA-N 438.366 0.998 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 782896291 DZJKXESEFDUGIS-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD Cn1ccnc1CN1CCC[C@@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 783315505 HYEAZQFJXMMNGU-MRXNPFEDSA-N 425.449 0.192 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1cccnc1N1CCOCC1 789812060 ISKXYIZZOMPSSK-WMZOPIPTSA-N 439.472 0.577 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1nn(-c2ccccc2)cc1O 789852710 XXSKLPBQZOSPSX-UHFFFAOYSA-N 447.448 0.847 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2CC1 790045343 LYHQRGIHEAGBIZ-HXUWFJFHSA-N 445.497 0.783 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 790337358 HFQTUDUKCDSNON-MRVPVSSYSA-N 427.888 0.037 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1C 792855028 MTPLUBYQFLFTLF-MRXNPFEDSA-N 431.580 0.854 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)n1 794080870 YXTXTEGLZIAWJD-KRWDZBQOSA-N 448.501 0.881 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1F 796999633 RZBIHPBPEJUQEO-UHFFFAOYSA-N 435.339 0.922 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1C 797369695 FGRXHTSKNTYVGN-UHFFFAOYSA-N 441.444 0.966 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCc4nn(C)cc43)cc2)CC1 798983155 WMRXRQIEVVETDD-QGZVFWFLSA-N 432.550 0.919 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(OC)c1 808266492 PBYRZYGYCOFLNM-CYBMUJFWSA-N 440.522 0.852 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 812429803 XSRPTGIRTHFYLW-UHFFFAOYSA-N 436.446 0.258 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 815571039 SEHBXTWGDXKXSM-SECBINFHSA-N 429.271 0.859 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 815752185 HLYNAKZXTAMVCY-UHFFFAOYSA-N 433.446 0.464 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 884310939 MQLHNLNNPXDRQQ-MRXNPFEDSA-N 441.487 0.086 50 20 ICGD COC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915894663 OHIHWGCDIUYECT-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C(N)=O)cc2C)cc1 916633870 PUEUGACDJPSRCS-UHFFFAOYSA-N 433.490 0.876 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1317723832 ROISOCYHWUMRML-ZDUSSCGKSA-N 432.955 0.554 50 20 ICGD CS(=O)(=O)c1ccc(OCCCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1318018531 DFURMKLGAIKPSX-ZDUSSCGKSA-N 432.520 0.221 50 20 ICGD Cn1ncc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1778018668 QOIDEGHDNGFWCM-QHCPKHFHSA-N 448.288 0.010 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)[C@@H]1SC(=N)NC1=O 1778083389 YVTPTIKULAOWKP-APLJZOTDSA-N 434.921 0.837 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1778949237 BBEJYNWLONLNKH-OGHNNQOOSA-N 433.347 0.555 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781229792 JMBIRHGLEXUJBB-HZPDHXFCSA-N 425.382 0.537 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1782170828 AGGUGOSIIMTFEK-YYFZDKIDSA-N 425.913 0.767 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214614 WRIGPAZNYNAMDC-RADWXHQJSA-N 448.568 0.639 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1783765543 POYCLVRRPNIGEA-SXGZJXTBSA-N 445.944 0.885 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878913 KHVMYJDARCZGRI-LDHQQMMRSA-N 447.919 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nc1F)CCO2 1783935654 BFEQNOKREFQLFR-LJQANCHMSA-N 441.891 0.691 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784582314 JCYSVFXPYNXIIV-KSFYIVLOSA-N 426.278 0.282 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]32)CC1 1786730671 OIESSWNPXUAMDB-BOSXTWCSSA-N 449.423 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788763956 JTZLACCFWRHWNC-JYJNAYRXSA-N 428.606 0.191 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1791064839 MKCYKASFKINPIC-YQJHJZDMSA-N 447.919 0.476 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791344439 HVULXEZOHMOXDR-YTFOTSKYSA-N 430.343 0.523 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@]3(F)Cl)[C@H]2C1 1791372058 VBUQBVZPGOFLSM-CFZBIGKESA-N 439.875 0.203 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792784725 PYIFAZBEQYWPAG-XJFOESAGSA-N 433.933 0.684 50 20 ICGD CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795182054 FKZCUZOFPZFEDL-FQLMCAECSA-N 432.949 0.270 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189655 MFVNCGTVBVQRCI-REPLKXPHSA-N 437.261 0.769 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)[C@H](F)Cl 1796361670 MNHYEYIFLBSLSE-XXBVRILMSA-N 428.848 0.117 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796397725 LRVRRSQQFREDOM-IVSAIRAKSA-N 425.327 0.326 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1cncn1)C2 1796893198 QPCVCJJLHOZSMG-BDHJUDLHSA-N 426.481 0.440 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnc2snnc2c1 1798505490 JNMZEYNWMPWDPJ-RBLKWDMZSA-N 444.286 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(C)(C)C)nc1)C2 1801008785 AZZCJVDFVIAFGL-UPHUGPLXSA-N 445.564 0.955 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801209445 PYFMKCLFWBOCGI-DHMDNZFNSA-N 441.492 0.066 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nccs1 1805936865 PBIBINCGTAHSCQ-SJLPKXTDSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360590 TUJVIDDTGCUPBO-SWIMNWDESA-N 437.280 0.973 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1807369521 MSWKFLAELDDIDA-XMSQKQJNSA-N 448.288 0.620 50 20 ICGD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)c1 1816574962 XHBMCAFGJTUQLH-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2O)[nH]n1)c1ccc(B(O)O)cc1 1817472658 YIBILWYFTGMUCL-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1821214717 MWZRFVKRVINRHY-TYNCELHUSA-N 445.904 0.845 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046462 ICRBFYAKMKIDQQ-HUUCEWRRSA-N 436.900 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829517655 HSJCECUJTWNFLZ-LJQANCHMSA-N 431.537 0.926 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830534542 BFTNPLYBISVYTH-SJKOYZFVSA-N 443.298 0.283 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1830535022 GQYJLNZCPNSBJP-KDOFPFPSSA-N 443.342 0.830 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730990 GQNWDLMSTHYITR-KXBFYZLASA-N 440.859 0.372 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1831650997 POMFJXITRAKGQV-AEGPPILISA-N 431.375 0.982 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCCn3ccnc3)CC2)CC1)[C@H](O)CCl 1833312962 NSWGGPSAYRIYTE-GOSISDBHSA-N 425.961 0.835 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875748 DGJWMANTYHCBRN-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835058337 NDZFKJOPDFPXEQ-JKSUJKDBSA-N 431.965 0.259 50 20 ICGD NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccccc1 1835823332 RBCQLTBRUPYIEX-KXBFYZLASA-N 430.332 0.989 50 20 ICGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)COC1 1839775279 TTWYXKXXWUEISG-KSSFIOAISA-N 433.343 0.900 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840031579 VEGRETIMVJFLJX-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD O=C(CCc1cnc2[nH]ccc2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012508 VNMSTXJSXJOUPC-UHFFFAOYSA-N 432.289 0.693 50 20 ICGD CC(C)c1nc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)no1 1844263519 NAGJCQUJCQCOKY-UHFFFAOYSA-N 427.465 0.251 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 16786020 MXJNVFCLBRCNRF-LLVKDONJSA-N 449.938 0.320 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1=O 24030408 YJWOJQRURBZYES-FQEVSTJZSA-N 428.424 0.656 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=S)NCC(N)=O)c1 727066394 VRJQUNHIMXKQSR-UHFFFAOYSA-N 437.503 0.090 50 20 ICGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 727355089 OAHHYOWYKNKTGI-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 728067329 GJVNEMXWJFNDFE-UHFFFAOYSA-N 431.536 0.349 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 728288428 DMOCBAGVNLNDCI-LBPRGKRZSA-N 425.536 0.482 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372893 VHPABIURVNHNFE-SMDDNHRTSA-N 447.966 0.774 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 729257688 MIGRMXZVBORJRU-UHFFFAOYSA-N 431.478 0.349 50 20 ICGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1cnn(-c2ccccc2)c1 733348757 RUXBWZFBGFVSLG-UHFFFAOYSA-N 442.501 0.936 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 734239623 ULRMQIMVAZODDP-UHFFFAOYSA-N 434.428 0.840 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 741824809 SMWRQPRXJRMDEY-HZPDHXFCSA-N 426.429 0.428 50 20 ICGD C[C@H]1CCC2=S=C(C(=O)NNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C=C2C1 742480374 OUQMKXCRKCCIEC-NSHDSACASA-N 435.527 0.545 50 20 ICGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2ccccc2Cl)C1 744393924 XBBMNNMRNWTDFM-CQSZACIVSA-N 438.912 0.835 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745874879 GRBBOGDXYVPEKO-ZDUSSCGKSA-N 425.392 0.392 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746550740 SVCYLPDZAUXIEX-UHFFFAOYSA-N 443.485 0.200 50 20 ICGD Cc1nc(C(=O)NNC(=O)COc2ccccc2O)nn1-c1n[nH]c(C(F)(F)F)n1 747383565 LRVGNQSGXNEBHX-UHFFFAOYSA-N 426.315 0.258 50 20 ICGD C[C@H]1C(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc2N1C 750576734 PPLCKOTYNDJXAY-NSHDSACASA-N 441.400 0.990 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 751281982 HZUUAFXYVMHJBM-UHFFFAOYSA-N 431.810 0.136 50 20 ICGD O=C(COC(=O)Cc1cc(F)cc2c1OCOC2)NNC(=O)[C@@H]1COc2ccccc2O1 753873004 BPCKHTDEWCAMNT-KRWDZBQOSA-N 446.387 0.765 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1O 754263686 UTRYTUDDSBSYKY-MRXNPFEDSA-N 432.385 0.554 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 755423731 PXIZOCRQEVOGOC-RYUDHWBXSA-N 436.494 0.983 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2O)CC1 755900868 RGLDDPTXVBDMQP-UHFFFAOYSA-N 428.511 0.694 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cncc(N3CCOCC3)c2)cc1 756863151 ICTZCTCLFBDMDL-UHFFFAOYSA-N 447.517 0.308 50 20 ICGD C[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 758031609 WZSMJDOPWQIBKD-QWHCGFSZSA-N 434.559 0.745 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21 763043783 TXMOFBLBCTZZTG-CYBMUJFWSA-N 443.485 0.255 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 763661228 MASJECIKVSOVGA-UHFFFAOYSA-N 435.458 0.405 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763679894 FDMZJGNVEDNCSJ-UHFFFAOYSA-N 445.436 0.688 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C 763736890 TVFZNESRWFGJMA-UHFFFAOYSA-N 430.509 0.630 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763840239 JSCGZOIHZBOUAL-UHFFFAOYSA-N 430.392 0.943 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC1CCCC1 763998662 RUULHDBGLQWMTQ-GFCCVEGCSA-N 439.490 0.537 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2OC)c2ccccc2O1 764041043 PSAGYDJXLOXPIR-GOSISDBHSA-N 440.456 0.777 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1=O 764127950 ZWZVCESJLHESIC-UHFFFAOYSA-N 436.808 0.170 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC)c3O)cc2)CC1 764132785 QTRXXSJOFZXASA-UHFFFAOYSA-N 441.488 0.942 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764351979 VCMOUVBNMZAJQD-UHFFFAOYSA-N 436.428 0.857 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ncccc1C 764388754 IRSNDKVCRVVPLW-UHFFFAOYSA-N 449.489 0.439 50 20 ICGD Cc1[nH]nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1Br 766645814 DFPZCXOWDZUIEI-UHFFFAOYSA-N 449.309 0.700 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)NC(=O)C3CCCC3)CC2)cc1 766649439 PFMNWGQUKFYFRB-GOSISDBHSA-N 429.565 0.955 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2coc(C3CCOCC3)n2)cc1 767413921 AVQJPOLHXPLLHZ-UHFFFAOYSA-N 436.490 0.959 50 20 ICGD CCn1c(=O)n(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 772196021 WOQQGTSPBLCZBP-UHFFFAOYSA-N 429.864 0.940 50 20 ICGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 773590921 NCKWDUZDMMCQIH-UHFFFAOYSA-N 434.836 0.760 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 779846275 LPSVJHCARBOAJU-UHFFFAOYSA-N 425.217 0.331 50 20 ICGD N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 780640507 LOSLCCNYGCRNQI-UHFFFAOYSA-N 428.474 0.882 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1 782145310 QCXNOKALWXIAHF-UHFFFAOYSA-N 442.476 0.234 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 786576135 OCWHSSBYDCUIMT-ZWNOBZJWSA-N 445.350 0.070 50 20 ICGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 787126209 LZOHLSWHJFHZMU-CVEARBPZSA-N 435.956 0.897 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)n[nH]2)C1 787291668 VOOYFWYYBDSTTI-LBPRGKRZSA-N 446.464 0.918 50 20 ICGD Cn1c(=O)ccc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc21 787543600 ZAITXNCLECRQRE-UHFFFAOYSA-N 445.476 0.929 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3NC(=O)O[C@H]3C)c2)cc1 788630580 LEVJWNVFBZPALM-ZBEGNZNMSA-N 448.457 0.754 50 20 ICGD CC(C)CC(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 789852530 KNFKPOGBCWMNDT-UHFFFAOYSA-N 438.506 0.963 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 797369475 ZBAUYHXTTBEMMF-UHFFFAOYSA-N 439.428 0.218 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc(Br)cc1[N+](=O)[O-] 797534620 BTCUQIWODOJIRB-UHFFFAOYSA-N 425.199 0.717 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N=c1cc[nH]cc1 802027716 UDPNFFDXJWCDMR-AWEZNQCLSA-N 441.510 0.896 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@@H](C)O)cc1 804954860 IUKWVDVZMBAUDY-CXAGYDPISA-N 431.478 0.142 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806973873 NBYTUFXQYFWBBR-UHFFFAOYSA-N 446.366 0.783 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnc(NC(C)=O)s2)cc(OC)c1OC 808068938 MGWURGGTJBIGGO-UHFFFAOYSA-N 430.464 0.751 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c(OC)c1 810356805 XOFHPZWUASDPRQ-UHFFFAOYSA-N 429.401 0.722 50 20 ICGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 814967509 NANHCLRURCTWBD-UHFFFAOYSA-N 425.492 0.788 50 20 ICGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2C)c1 815691815 BUOBXFDPWITLGC-OAHLLOKOSA-N 436.476 0.738 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 815750918 MXVVLPYJBQVAHY-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cc(-c2ccccc2)on1 897550816 VOZBQVDJBFECLB-UHFFFAOYSA-N 433.432 0.852 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@H](C)O1 916235084 YXIMOTQPGJEBMH-KBPBESRZSA-N 430.509 0.765 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCNC(=O)c1ccco1 916259330 FXRDKNLDNFSHGD-UHFFFAOYSA-N 428.493 0.552 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nc3ncc(Br)cn3n2)c1 919812935 NYWDJHYCNKCRAP-UHFFFAOYSA-N 439.251 0.365 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)N[C@@H]1CCS(=O)(=O)C1 919888259 BJPUSQBGANHDQG-CQSZACIVSA-N 438.893 0.681 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 920432719 HMBNDKPIBMASQC-UHFFFAOYSA-N 432.296 0.134 50 20 ICGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 1324054793 ZLRJJTSYOLTNEO-UHFFFAOYSA-N 439.515 0.805 50 20 ICGD O=C(COC(=O)c1cccc(N2CCNC2=O)c1)NNC(=O)[C@H]1COc2ccccc2O1 1326231707 RIUWZQVCGROZBK-QGZVFWFLSA-N 440.412 0.360 50 20 ICGD O=C(Cn1ncn2nccc2c1=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1338957951 GVMIMBLFAOWVQW-UHFFFAOYSA-N 439.457 0.835 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)[C@@H](F)Cl 1778023383 ZLRRWLVBRMMSOQ-CJBNDPTMSA-N 426.836 0.080 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879483 GLYCUEJOJHRRPJ-GTNSWQLSSA-N 440.298 0.193 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780492788 MOSUSAKQRSOYNZ-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1781223912 DUMARZJJTHRIEQ-QZTJIDSGSA-N 432.304 0.368 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781233831 NPXHETDKOCRVIV-IKGGRYGDSA-N 425.309 0.668 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783340922 AEVGBKNYOMGVIB-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1O 1784092631 RUEVIYXJTGZKHE-ZZCKCESHSA-N 439.896 0.544 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)n(C)n1 1786401148 RAWCOILJXUXSCF-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD CC(=O)N(C)CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1786628910 RAQOQJZAIKGQFQ-UHFFFAOYSA-N 437.305 0.983 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786647827 IDUOPAFLXIYBHK-CYDGBPFRSA-N 425.345 0.184 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984578 UBQCIYLMNFHJEM-LRQRDZAKSA-N 448.288 0.150 50 20 ICGD O=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)CCN1 1791656264 PWZQCDSTAOECQH-INIZCTEOSA-N 435.289 0.640 50 20 ICGD CCOc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792387388 YHGVKMUPXAWUNR-ZSBFGKGUSA-N 438.550 0.723 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnc1 1793141615 RQFWENXPBYALIM-OBJZOTCMSA-N 441.492 0.168 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)ccn1C)C2 1796441701 SMTWRJYZBNDCIH-XLYDMXJNSA-N 440.504 0.671 50 20 ICGD CCN(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443700 BVXGGQZZMGGZOS-GLPAEGGISA-N 432.525 0.050 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)n1ccnn1)C2 1796893561 HLWJABDXIAYKQQ-CJDYHMCNSA-N 426.481 0.611 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439968 QKRCJFKIMBGNPV-APIJFGDWSA-N 430.509 0.242 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(OCCCO)cc1 1798540447 VZXWJFJFLCQFEZ-CYGHRXIMSA-N 426.897 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2snnc2c1 1799195327 RMVRFMHDBGJXLO-BTTYYORXSA-N 431.522 0.711 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1 1807193357 WNBOJSDYTFINCC-CPUCHLNUSA-N 440.342 0.465 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366389 YXCPIMQHPDSGNI-IEBWSBKVSA-N 431.261 0.185 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369087 AFBDJHSSZYGBKW-GHTZIAJQSA-N 447.304 0.611 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373783 GOWBWPNYCUEHSQ-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)[C@H](O)CCl)[C@@H]3c3cccnc3)CC2)CC1 1807927502 NWKZONUXTBXVGX-IPMKNSEASA-N 449.983 0.467 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810293279 BWWMEUIMFSELPM-JCGIZDLHSA-N 426.477 0.171 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810303903 WBOOWTVGXMFKAC-KSSFIOAISA-N 449.475 0.140 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncon2)[C@@H]1c1cccnc1 1811176957 ANPNPWMMHACHFA-CJNGLKHVSA-N 436.432 0.097 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1811593790 WAVQTOMKZMOKCR-MGPUTAFESA-N 444.492 0.255 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814864806 TUTRJWQDTPRIOB-RAIGVLPGSA-N 435.934 0.329 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473827 BRYUXHRICPNFDL-DYVFJYSZSA-N 441.297 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc[n+]([O-])cc2)n[nH]1 1820033784 JLMOLUVMWBQMHT-MRXNPFEDSA-N 429.481 0.722 50 20 ICGD O=C(c1cc(=O)nc2cccnn12)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824184871 DXWVAVYOYIMBSF-NVXWUHKLSA-N 447.923 0.923 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1CCN(C)CC1)CC2 1825998380 GEFWEJIZGMGHRF-KGLIPLIRSA-N 444.001 0.946 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830532927 BBOFEIWWNDZMHO-DDUZABMNSA-N 448.358 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCOC2=O)CC1 1831870983 KVSNBYSPZHOQIZ-QGZVFWFLSA-N 437.541 0.431 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162206 NJTLYSGOWYPJSW-KBXCAEBGSA-N 441.326 0.507 50 20 ICGD CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1833591267 YSSYPEGQVDYVLL-ACJLOTCBSA-N 449.335 0.306 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833953074 LKJJODKFXBLNPC-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815564 OZMAPUVZHNLOJO-BEFAXECRSA-N 437.884 0.282 50 20 ICGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)O1 1836903141 VFLIXGRLDIADOL-QWHCGFSZSA-N 436.278 0.784 50 20 ICGD O=C(c1ccc(O)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838651957 HBZYMJQPNNVQHX-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151025 FVUDAOHYKDTUHN-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1840153154 GAXXYEYLAFAJSW-LAUBAEHRSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840153742 YXHABHUMQYFRAX-FOIQADDNSA-N 436.896 0.887 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188271 ABDVUHYNMJBJLD-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD O=C(C1CCC(O)CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840274580 OCKOSSWXAUBFBO-YJJGSOMYSA-N 437.306 0.684 50 20 ICGD O=C(CCBr)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842057436 MELOMHPHZIPMEL-NSHDSACASA-N 439.310 0.981 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c21 1844637511 MRJFFYHWDZSZCY-UHFFFAOYSA-N 449.471 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844719781 CMQNPXSBRDFWBB-UHFFFAOYSA-N 446.504 0.026 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1846384540 FNYRAERVVMXNRI-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 1846386371 FLCDKLUXWWYHRP-UHFFFAOYSA-N 437.541 0.620 50 20 ICGD Cc1ccc(CC(=O)N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 725860441 ODAMJWDFGWXENQ-UHFFFAOYSA-N 448.487 0.712 50 20 ICGD O=C(COC(=O)c1ccccc1N1CCOCC1)NNC(=O)[C@H]1COc2ccccc2O1 728338750 HEGVITYVAQWLLE-LJQANCHMSA-N 441.440 0.667 50 20 ICGD CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 728846266 WDBWVQUONSBBKZ-UHFFFAOYSA-N 444.517 0.476 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1=O 729627404 JNMTYABLRIJEKU-YPMHNXCESA-N 426.315 0.871 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672568 GQGFBPHAZFZDMF-LBPRGKRZSA-N 434.515 0.302 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731050820 GAKZTEROZMQZIG-UHFFFAOYSA-N 441.535 0.445 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCOCC1 739047852 FQZUWXJVSLVORK-IBGZPJMESA-N 432.569 0.497 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 746095486 RUWMZNFVYLQKTC-UHFFFAOYSA-N 426.451 0.031 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1[N+](=O)[O-] 746702375 VEADSUNVEUSIJC-UHFFFAOYSA-N 426.389 0.371 50 20 ICGD CCCN(CC)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 746770853 OXPVTHVLWLUFGC-UHFFFAOYSA-N 427.575 0.376 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNC(=O)c1ccc(Br)cc1 748617632 LUZNBHXJHUVXBU-LLVKDONJSA-N 431.287 0.561 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 754739562 CLIUQVVJAFCNRT-UHFFFAOYSA-N 430.533 0.859 50 20 ICGD CC1=C(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCCO1 756003767 WERCFKFFAALWFI-UHFFFAOYSA-N 436.534 0.533 50 20 ICGD COc1ccsc1S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 760335607 VIZJBTWYRWXXLB-UHFFFAOYSA-N 433.533 0.695 50 20 ICGD CCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 763441199 RWXBVAPSKQETCL-UHFFFAOYSA-N 436.515 0.991 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 763442437 QMZKCTZUIMASFO-LLVKDONJSA-N 429.389 0.968 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763550337 DGXWJPYJFHCOOT-UHFFFAOYSA-N 441.444 0.705 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763559066 QMJJWKFSURILET-UHFFFAOYSA-N 426.385 0.767 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763569735 AXJMOYVEHXYKGH-MRXNPFEDSA-N 433.442 0.324 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763575001 OCNDKXQSNWCDMG-QGZVFWFLSA-N 426.429 0.752 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1-n1nnnc1C 763786144 VZTXMPVAWLRIOP-UHFFFAOYSA-N 441.473 0.929 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 763818193 CKIUWHAGXQULDQ-UHFFFAOYSA-N 433.350 0.872 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763865904 MHEBVBBINNHJDR-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC1CCCC1 764227747 RGKVGECMLRHVKW-NSHDSACASA-N 442.494 0.040 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c(C)c1S(=O)(=O)NC1CC1 764265122 ZJXFJKFMBUKKIA-UHFFFAOYSA-N 445.501 0.468 50 20 ICGD O=C(CCCc1cccs1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764342726 IYLLHDKDNUCMSN-UHFFFAOYSA-N 443.485 0.909 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCN2CCCO[C@@H](C)C2)c2ccccc2c1=O 764587672 RGXJZJSSLDQEEE-HNNXBMFYSA-N 430.509 0.861 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNc3nc(O)c4cnn(C)c4n3)cc12 770990037 KDGDVGXOOFGADV-QMMMGPOBSA-N 429.466 0.587 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 771916246 LUVSOTSKZIUSPC-TZMCWYRMSA-N 436.490 0.479 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 772889654 RRUOWTMSAYUKRB-CQSZACIVSA-N 429.864 0.547 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)cc1 773494456 RYXJMDYPYISHGT-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 775708330 OGYLXHNDQMSRFD-MRXNPFEDSA-N 427.417 0.677 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 778444881 BHBSWNLLVFAEPU-UHFFFAOYSA-N 441.510 0.154 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 784916311 NRCRNCMFHGOAPL-JTQLQIEISA-N 425.417 0.138 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N(C)CC(F)(F)F 793683160 RGMNSMDIWVGOLR-CQSZACIVSA-N 429.443 0.474 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)c1C 797005168 RRRQZEMWLUBQSX-UHFFFAOYSA-N 425.348 0.366 50 20 ICGD NS(=O)(=O)CC1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 799858632 XYCPTQPBOCCERE-UHFFFAOYSA-N 425.330 0.866 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 802067260 AORNYCBDPCELFH-DFBGVHRSSA-N 436.490 0.807 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1 806973132 AQVZMNFFNPHLLE-UHFFFAOYSA-N 448.819 0.844 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 806976645 JTODFMKOYTVMKN-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 809984170 XEJRVYSMFYWBJP-MRXNPFEDSA-N 425.493 0.760 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1 810386591 IMFLOJGHOFOTSL-UHFFFAOYSA-N 431.355 0.701 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCCOC2=O)cc1 814784814 JNFLXHRVHBGUNP-UHFFFAOYSA-N 446.489 0.458 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 825550182 ZDUGUPQHGLPVMK-UHFFFAOYSA-N 429.389 0.588 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1S(=O)(=O)NCc1ccccn1 849193069 OVZHIYNCLQGMGH-UHFFFAOYSA-N 429.458 0.972 50 20 ICGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 856530513 IHQDVZVZJDURLL-NRFANRHFSA-N 430.509 0.067 50 20 ICGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[C@@H](B(O)O)C1 864233776 KJOJQUKPMIDDMY-CQSZACIVSA-N 426.300 0.372 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc(Br)c2)C[C@H](C)O1 912922019 YZDBDUKIDNZUJT-STQMWFEESA-N 441.326 0.826 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O 913242164 AIOLOSAFWIFPGN-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 913391849 IRILUNDCLUREMF-UHFFFAOYSA-N 449.508 0.446 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 920826123 OUKIWDWLIHMGMU-UHFFFAOYSA-N 444.460 0.135 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 1115889180 KDOGYTYUTSMNIA-QGZVFWFLSA-N 436.534 0.375 50 20 ICGD COc1ccc(C(=O)NNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1317957384 KXYWXVRMLNLHLA-UHFFFAOYSA-N 446.529 0.917 50 20 ICGD Cc1cc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1779132150 REWFBLRKHXYDEO-ATKOVBFVSA-N 440.460 0.138 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779777113 OUUCIVDZHDPLJT-JAMLUQCHSA-N 439.476 0.363 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)c1OC 1781821633 OJFWXAQNWHQMAZ-BFUOFWGJSA-N 428.869 0.453 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1783531118 BXZKVRPLJNFVPY-WLJWBJLJSA-N 432.290 0.515 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1783969231 FUZQJTRWSBUOLC-XWUBHJNHSA-N 427.299 0.807 50 20 ICGD CC(C)n1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1C(=O)O 1784086542 MWQGJFLMIRAXON-APYUEPQZSA-N 442.900 0.355 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)N(C)C(=O)OC(C)(C)C 1784092002 CCNKXNRKWWIVAT-YXMSTPNBSA-N 447.960 0.821 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1784373790 IHKPBFOKEWAOCB-DYVFJYSZSA-N 432.308 0.091 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365446 YEZCNMXOCBQWIE-SGSZHJQISA-N 426.477 0.644 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786980243 ZHPSAWITVKGSJT-XIRDDKMYSA-N 444.318 0.344 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21 1788610820 VWLXKQUQSWPLFZ-IGNZVWTISA-N 442.451 0.126 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764602 VKXVHCKNPLIETA-XMDUPGNXSA-N 430.574 0.433 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)[C@H](F)Br 1789923515 RCDRCCDMFHNJMT-PYJNHQTQSA-N 445.289 0.949 50 20 ICGD CCOc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1O 1790231734 PMNMKSZEULQZHI-QEWYBTABSA-N 426.897 0.984 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791054336 BEMCFFWTMHKQLE-RCWTZXSCSA-N 432.344 0.957 50 20 ICGD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCCCC1 1791212844 YEGFSAHGWPECFR-IHPCNDPISA-N 428.338 0.930 50 20 ICGD CCOc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1OC 1792982939 WTBKLDDKIGFZTG-UIVXKWKOSA-N 440.924 0.826 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1ON=C(c2ccccc2)O1 1796191511 SDBYTAZTKYGZBH-ISJRUSPKSA-N 449.272 0.353 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC=CO1)C2 1796441935 ICSOXUFLRKYSEC-IWWZWCOKSA-N 429.477 0.403 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)nc1F)C2 1798440177 PQBWIKPOJAZFEH-ZSBIGDGJSA-N 430.415 0.924 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1800638903 CHWVDXVZPRJAHV-NWJSVONSSA-N 429.315 0.805 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)c(OC)c1O)C2 1800977490 RNUYQRGXGOWXFC-LMWOUKEDSA-N 442.896 0.866 50 20 ICGD CC[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1801797314 ATKFSFVENIEYOL-USZNOCQGSA-N 437.298 0.843 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803580503 GYSYDLYRLUMQKI-SYAUCNOPSA-N 431.942 0.368 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)[nH]1 1803813149 NTGIABPQYQMDRT-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360593 TUJVIDDTGCUPBO-YILSLVNCSA-N 437.280 0.973 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1811535347 JLXRGLRDBYJJCX-GHTZIAJQSA-N 443.272 0.595 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1813070996 MZGXZEXFZDWNJE-QRWLVFNGSA-N 443.508 0.213 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)c2cccn2C)[nH]n1 1822416772 NZWHTKHFWDGYLF-HNNXBMFYSA-N 443.508 0.996 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCOC2)n[nH]1 1822950476 CEVSMCWFFAEJIB-MLGOLLRUSA-N 427.465 0.751 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1824477288 AOCLVYSUHJPAHI-STRFDMGBSA-N 436.538 0.468 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)sc2C1)c1ccc(B(O)O)cc1 1824651565 VCMPNFNWYQMUEI-BQGCOEIASA-N 441.343 0.924 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1)c1ccc(B(O)O)cc1 1826351722 QPKOGISBJGPSJI-OGVSOVDVSA-N 443.334 0.600 50 20 ICGD Nc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cs1 1827054833 MNJZJBFWFYLEMJ-SFHVURJKSA-N 442.350 0.952 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831174629 FOJCHTDMJXKIIR-LBTNJELSSA-N 448.358 0.389 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1831641295 XWUCCKLZWRCPBP-YWZLYKJASA-N 441.912 0.165 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831645558 CFEAUFQUMFYDBI-LRDDRELGSA-N 426.844 0.960 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(C)(F)F)CCO2 1831687924 XRBGFASEKJRMGQ-FQEVSTJZSA-N 448.511 0.497 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836620771 XFKBXBHODHSYOO-HXUWFJFHSA-N 442.532 0.488 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836815828 XIIMYRYWKLVQQR-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837475521 IREJTTSTBYTJGH-MGPUTAFESA-N 439.944 0.998 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717639 KXRUKORQFPNQLP-FQEVSTJZSA-N 444.601 0.884 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1837836065 RXUVPPMUOTVKJV-AWEZNQCLSA-N 429.813 0.244 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C(F)F)n1 1838710252 RNYBYPYIWZLQOD-SUMWQHHRSA-N 436.843 0.256 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838898474 SLSQOYAQHNYPNY-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188725 YYLVKRQOMYKXCN-KRWDZBQOSA-N 428.276 0.832 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840855483 IVJFXNDLXLKTEX-TXPKVOOTSA-N 433.933 0.001 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841559908 QVQXTBQNBDLAHJ-GOSISDBHSA-N 427.505 0.756 50 20 ICGD CCn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1=O 726871160 BVBXWQNPHMCPHL-UHFFFAOYSA-N 449.489 0.356 50 20 ICGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729282763 ISKORAHNRKVGSS-HNNXBMFYSA-N 441.554 0.820 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)c(OC)c1 729963458 FILYIYYPOJOMLA-UHFFFAOYSA-N 428.394 0.930 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)c(C(=O)OC)s1 730814005 PAXCRXVZSIDPTR-UHFFFAOYSA-N 444.443 0.415 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 731852547 YGESBCZDIKKOQY-UHFFFAOYSA-N 449.489 0.351 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)Cn1ccc2ccccc21 731989992 FQCCEZGBJWLRKW-IBGZPJMESA-N 427.505 0.502 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 732575431 AYMVMHQTOQAVKT-CQSZACIVSA-N 425.445 0.780 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(F)nc1 733909289 HXHTXQRBDMBYPL-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc(S(=O)(=O)C(F)F)cc1 743335041 KYWCDKILVKOWGP-QHSBEEBCSA-N 443.428 0.679 50 20 ICGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 746092581 YEVCGCWUSZNVFK-UHFFFAOYSA-N 425.555 0.018 50 20 ICGD COCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747778051 AMAQZJMRRRDZNO-HXUWFJFHSA-N 445.541 0.822 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@H]2CCCC[C@H]2C1=O 750668362 LCBHWMIQLOAIAX-TUKIKUTGSA-N 425.445 0.258 50 20 ICGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 751111527 NZUZCZKILNAAKS-UHFFFAOYSA-N 444.536 0.894 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 751207550 YXTUOYQWPAYLRU-XOBRGWDASA-N 446.460 0.887 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1[N+](=O)[O-] 751210427 FECOPJKXFUTGDF-UHFFFAOYSA-N 426.432 0.251 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cccnc1 755408652 NKMHPNLNZSFVDN-UHFFFAOYSA-N 435.462 0.578 50 20 ICGD CCc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(C)n1 756594562 QWNDKEIZKUMJOA-UHFFFAOYSA-N 436.494 0.470 50 20 ICGD O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756658239 IHVYYWYPWCXKHY-UHFFFAOYSA-N 436.856 0.627 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccn(CCN(C)C)n2)cc1 756765887 RYSMDYDPLNBTPN-UHFFFAOYSA-N 437.526 0.227 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 756851900 VBIWSYPCMLPHRI-QMMMGPOBSA-N 426.430 0.844 50 20 ICGD COCc1cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 757722306 YFGVUMWXIIVIRR-UHFFFAOYSA-N 434.478 0.874 50 20 ICGD CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 760957707 QNNZUNFLZUMIMM-UHFFFAOYSA-N 444.466 0.046 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 763526666 FHZSWDICOJQLFO-UHFFFAOYSA-N 432.458 0.576 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1-n1cnnn1 763680632 SERVZCZOEIQNER-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(N(C)C)c3)cc21 763759734 ABZHOAXGUKARNG-UHFFFAOYSA-N 436.472 0.853 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c(OC)n1 763877442 JOIASQQFOICMRK-GFCCVEGCSA-N 430.417 0.855 50 20 ICGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916274 FSBRDIPLSVGWDK-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD Cc1cccc(COc2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)c1 764230785 LDYROCNJKPEVAI-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)CC1 764276075 YQOLLNOWWXGAOS-UHFFFAOYSA-N 441.488 0.699 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764280636 QUKGLUWEZOMBGE-UHFFFAOYSA-N 428.445 0.389 50 20 ICGD O=C(COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)Nc1ccccc1 764431561 DGEMAMXFQRAECS-QGZVFWFLSA-N 442.428 0.205 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 764433494 NSBPEYRIJUNDRF-GOSISDBHSA-N 438.440 0.391 50 20 ICGD CCN1CCC[C@H]1CNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764519394 RIQLGQMYKNSPGD-SFHVURJKSA-N 432.594 0.424 50 20 ICGD CCn1c(SCC(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nc2ccccc21 764744853 YUFXPMRCDZPPRF-UHFFFAOYSA-N 440.489 0.985 50 20 ICGD C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739595 ZHTJQKAMFHZDQB-QGZVFWFLSA-N 443.548 0.677 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 766265148 XBIZKZOGJVXXLR-UHFFFAOYSA-N 440.869 0.760 50 20 ICGD COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 769860836 YVRZVFDNTIGKKB-UHFFFAOYSA-N 440.247 0.209 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c2ccccc2c1=O 770433750 DCCLCUXPURSSTN-YOEHRIQHSA-N 430.509 0.860 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O)cc1 780971603 OVXSXTNRCVLEGX-OAQYLSRUSA-N 447.492 0.824 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)nc2ccccc21 782886581 QMAGTOFAQUHLMU-UHFFFAOYSA-N 436.407 0.622 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3cccc(C#N)c3)cc2)CC1 784230103 IJOSWAYALNXKFJ-UHFFFAOYSA-N 442.501 0.576 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc(N2CCN(C(C)C)CC2)c1 792265548 FCJBGLVGZYWDGZ-SFHVURJKSA-N 433.509 0.027 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCCOC1 792841556 AUABPSMBWMMUIQ-KRWDZBQOSA-N 439.534 0.604 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C)cc1 794871753 OGIJWTNJBOFKLU-UHFFFAOYSA-N 432.568 0.635 50 20 ICGD COc1c(F)cc(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368307 AIYQYMJNFYTRST-UHFFFAOYSA-N 436.371 0.986 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)COc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 797609008 RQEOWZGBSZYJAV-OAQYLSRUSA-N 447.513 0.976 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCC#N 802106591 LOBWVVRNPJXNMT-UHFFFAOYSA-N 431.430 0.992 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1F 806544988 FKLHEHANEQBENL-UHFFFAOYSA-N 441.397 0.874 50 20 ICGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)c3cc(F)ccc3Br)ccnc1-2 806978438 BIQJAEMEQJKVAB-UHFFFAOYSA-N 435.213 0.643 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccnc3F)CC2)cc1 807091519 MIWCLBAWURDKLG-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 810195494 MLYOWHGWOHKLTE-UHFFFAOYSA-N 448.501 0.712 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnn(C)c3Cl)CC2)cc1 814876759 CGKRLSCGBDXUDG-UHFFFAOYSA-N 438.941 0.839 50 20 ICGD CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NNC(=O)C(=O)N1CCCC1 815164428 WWWZKCWDEJJDAT-NRFANRHFSA-N 427.461 0.145 50 20 ICGD C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCOCC1 874090220 BPRRAPWERCRVEM-BFHYXJOUSA-N 439.948 0.744 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 914532026 UXGPUMMUOQZKJO-YPMHNXCESA-N 448.339 0.483 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C[C@H](C)O[C@H](C)C1 921203018 OTPKUKKVPUGCRS-LZWOXQAQSA-N 425.555 0.875 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N1C(=O)CCC1=O 1318209629 GEQHVLFLIHESPB-CQSZACIVSA-N 447.455 0.687 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778557758 KQFIPCWQRXTUMQ-SJKOYZFVSA-N 427.299 0.893 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1779030958 ZWMWMCKYTVKBLX-QFIPXVFZSA-N 449.471 0.270 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779348974 ODRSYJSFJSZNEC-BFUOFWGJSA-N 426.901 0.622 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782154716 BKIIRQUMTSNQTB-YWCWZJBTSA-N 442.940 0.855 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783355602 WEIISEMZYVIVEZ-PXAZEXFGSA-N 443.298 0.564 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791056340 USFPKLMQLSWCKO-GMOBBJLQSA-N 430.259 0.695 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnc2ccccn12)c1ccc(B(O)O)cc1 1793063440 LRMDNTINRLKGIM-REPLKXPHSA-N 432.289 0.509 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncccc2c1 1796806729 GAFFIWVGTRELOU-OPMZPASUSA-N 439.516 0.811 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804089876 MSQQAXUDZIESGV-BEFAXECRSA-N 447.568 0.491 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805544453 DECTUXRBYCHNMI-HXUWFJFHSA-N 427.354 0.696 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807118183 FYGRAKAHTCLCSA-BJJXKVORSA-N 437.342 0.711 50 20 ICGD CNCCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807138000 VVPUXORNKCLSNR-OXJNMPFZSA-N 439.520 0.399 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359036 DGRPSJCMHSYUCR-CEWLAPEOSA-N 437.305 0.650 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809662294 HCBMBXOETDNVCE-GFCCVEGCSA-N 440.275 0.726 50 20 ICGD NC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)c1ccccc1 1809967201 ZHEDNACFRZDOAE-QFIPXVFZSA-N 449.360 0.954 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1810541878 SZKSAHKKMMAXHI-QAPCUYQASA-N 427.599 0.984 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1 1811198484 MXBOHFXIAANMHL-WIYYLYMNSA-N 440.504 0.408 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cccn1 1813421408 CAITXIMLKUGARF-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD Cc1nccn1CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348004 AWILPBRMBCRUGV-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n[nH]1 1815360925 RIASZRZIAVMKRX-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475233 MDWJRDDCMWJRFF-GOSISDBHSA-N 436.281 0.601 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n[nH]1 1817476201 KPEXNHQSVZOSAM-GOSISDBHSA-N 436.281 0.670 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817479040 GLZJRMZYFMYXNB-UCFODXPJSA-N 446.276 0.899 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n[nH]1 1819496519 GITPGTSZVJSKLB-SFHVURJKSA-N 436.281 0.670 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCOC3)sc2C1 1827169489 DIUVMDIBFOLBMZ-QWRGUYRKSA-N 430.490 0.404 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008593 BZHRWMKRSJTCDF-HNAYVOBHSA-N 446.386 0.958 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)CCO2 1830413709 IYFOSTZIAVBRCN-BMQTXXJKSA-N 440.899 0.985 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171178 UNBVHECWHSXNMN-KSSFIOAISA-N 441.326 0.649 50 20 ICGD O=C(c1n[nH]c(C2CC2)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833677598 MXSCFCUQJJYCSP-KPZWWZAWSA-N 430.864 0.096 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nccs3)CC2)CC1 1834284542 SOVVCVVWWWIILH-UHFFFAOYSA-N 436.582 0.701 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)c1cc(O)n[nH]1 1834771911 PQJCYFHVKJURRW-CQSZACIVSA-N 432.294 0.991 50 20 ICGD CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n(C)n1 1835953879 BOEMEZDFMMGICM-SFHVURJKSA-N 425.961 0.767 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)C 1837224448 QYRVKTXXEUTAJW-SUMWQHHRSA-N 425.309 0.834 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837980486 CDIGUMVBYFYGLL-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838288416 WFBGBDRTQXXOLC-LJQANCHMSA-N 445.004 0.486 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n[nH]1 1839151563 WEFXPXDZYLFTID-ZWKOTPCHSA-N 447.319 0.919 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839684916 YJDQEJOMDRAYNH-BEFAXECRSA-N 446.573 0.856 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840034006 XEYHOLRRAALNNK-SUMWQHHRSA-N 448.314 0.069 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840037143 UVPAJMZDZLGQPB-IMBDGTDHSA-N 439.310 0.730 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1840155630 FWMMQIFNQIWROP-FXAWDEMLSA-N 442.944 0.290 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1843416824 FHNSNTYRYFYUEH-PTFSYIGCSA-N 437.500 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cncn1-c1ccncc1)C2 1844263767 SIUWGKPMQIPIBG-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)COc2cc(Cl)ccn2)C1 1844351453 ZLNXRKYRUNXVII-UHFFFAOYSA-N 429.669 0.311 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846958366 GUNGHZUZOCILFZ-UHFFFAOYSA-N 431.298 0.098 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847954079 GWRTYNHUJKFTOJ-IRXDYDNUSA-N 445.325 0.485 50 20 ICGD CN1N=C(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CCC1=O 17633792 ZGUALQBDKHRQPZ-UHFFFAOYSA-N 432.444 0.758 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCO[C@@H](C)C2)c2ccccc2c1=O 726253948 FDFMGNXIONOBNC-HNNXBMFYSA-N 430.509 0.861 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2=O)cc1 726523667 YYRXVNBGIQQEGI-MRXNPFEDSA-N 435.444 0.481 50 20 ICGD NC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 729339807 AZXPVXAEGBKZMW-CQSZACIVSA-N 432.458 0.709 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CCc1ccccc1O 730034306 JLYCKCZLYKFABV-UHFFFAOYSA-N 430.486 0.991 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 732468551 VTTSJMLHZBDZMO-UHFFFAOYSA-N 447.517 0.619 50 20 ICGD CN(CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1=NS(=O)(=O)c2ccccc21 741889828 RIHOURLFXWWFEE-AWEZNQCLSA-N 442.563 0.340 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 743577932 UKJQEVACYBURGW-UHFFFAOYSA-N 427.417 0.765 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 744552561 XGLJGEASOMKBGO-QKKBWIMNSA-N 430.461 0.800 50 20 ICGD O=C1O[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)Cc2ccccc21 744619621 TZSRDTMWVLFBSE-QGZVFWFLSA-N 431.470 0.932 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 746775764 JQJRQHUHECPLLG-UHFFFAOYSA-N 441.488 0.821 50 20 ICGD O=C(NNC(=O)c1cccc(I)c1O)N[C@@H]1CCS(=O)(=O)C1 755142329 LSPVGJDLYNADPB-SSDOTTSWSA-N 439.231 0.128 50 20 ICGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755602032 KZIYYVARYPKLBK-NSHDSACASA-N 427.483 0.164 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 756858296 NAHBBDGYUPYTES-LLVKDONJSA-N 435.462 0.668 50 20 ICGD CCOC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 756935656 HJRXRNNLVWOKOO-UHFFFAOYSA-N 431.268 0.983 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(I)n1 761167497 KWUIXKCJLMJUJU-UHFFFAOYSA-N 434.234 0.761 50 20 ICGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 763558433 PERBJKPAEKRRJU-UHFFFAOYSA-N 448.526 0.991 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 763639939 MMSRCHRVPPQQIA-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1 763819981 CIJSQADRLFTRKP-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 763825056 PLHRUTMIDJKIDB-UHFFFAOYSA-N 429.330 0.947 50 20 ICGD CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C1 763995033 DTDOFEIQTRNKKL-QGZVFWFLSA-N 440.504 0.591 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc4ccccc4c3)cn2)CCN1 764082475 NNTMCKNXKLDGRG-UHFFFAOYSA-N 446.467 0.500 50 20 ICGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764264542 UYLGYJXKLZMHBA-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 764370655 ADLWBKNDLOGEBJ-UHFFFAOYSA-N 435.389 0.800 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCS(=O)(=O)C1 768035738 HSEVSBYGIHZBCH-LURJTMIESA-N 449.707 0.986 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc(C(F)(F)F)n1 778389554 ZTYHWEXKRWGFRG-ZDUSSCGKSA-N 440.334 0.948 50 20 ICGD Cn1ccnc1CN1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1=O 783318727 IMNQPFUXFKRIFL-CYBMUJFWSA-N 445.436 0.229 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1S(=O)(=O)N1CCCC1 787556642 RKMNTSNQJNDEGE-UHFFFAOYSA-N 448.505 0.968 50 20 ICGD Cc1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1F 789731132 DEDUCXRWNREZQQ-QMMMGPOBSA-N 436.259 0.417 50 20 ICGD C[S@](=O)C1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1 798121083 MTWXMVJOPWBBHM-NDEPHWFRSA-N 442.563 0.716 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1F 806546889 ZZHFAINBWSTOEA-UHFFFAOYSA-N 448.436 0.447 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978500 DJOGCZPLMQZZBM-QWHCGFSZSA-N 443.485 0.248 50 20 ICGD NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 825151035 OFMFSIZKOJFWIQ-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)[C@H]1COc2ccccc2O1 849207651 OINYTHYAJGKWTF-CXAGYDPISA-N 443.412 0.159 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)cc1 914612698 HHISKZAEVYCGER-AWEZNQCLSA-N 436.490 0.764 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 914800934 DNOGUXPHIFYUNK-KBXCAEBGSA-N 445.472 0.698 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnc2n1CCCC2 916648605 YCOBGGRBNCOJQH-UHFFFAOYSA-N 426.525 0.657 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1cccc([N+](=O)[O-])c1 916740742 IURXDYPOTUWMEF-UHFFFAOYSA-N 430.398 0.977 50 20 ICGD CN1CCN(c2ccccc2CNC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 1251636789 RKYVRIKIZLLZJO-UHFFFAOYSA-N 430.534 0.760 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 1321469730 DXFVYBSASSBBHY-UHFFFAOYSA-N 449.514 0.794 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778912165 VGXJBBINUYEQFF-WAOWUJCRSA-N 442.988 0.682 50 20 ICGD Cc1cnc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)cnn2c1 1779017441 DPQAPWBHJCWUOE-JXXFODFXSA-N 435.912 0.765 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1781230641 XQHSGSURAYAKFW-IRXDYDNUSA-N 427.292 0.804 50 20 ICGD COc1cncc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784085331 GJVURUOJRWIJFV-DKIMLUQUSA-N 425.913 0.602 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785021867 WURWTLGPJOTQMQ-FSGKZVOOSA-N 435.952 0.623 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(C2(NC(=O)[C@@H](O)CCl)CCC2)cc1 1786689398 BDVSZCWOQSZAJF-INIZCTEOSA-N 443.953 0.451 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1789870304 DNTJXVXEOIKZHR-YEGJMSHXSA-N 444.319 0.405 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794368203 DYDJRRCKMWGKJB-ZYYNGRNUSA-N 431.276 0.614 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289448 OFBQDJRHVYESRS-KQXIARHKSA-N 438.282 0.422 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1796336343 MBUKZMBOQSXHCE-AIEDFZFUSA-N 449.907 0.746 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1OCCO2)c1ccc(B(O)O)cc1 1797481746 RNCXHDFGTUDVLG-BCDXTJNWSA-N 436.273 0.703 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1)C2 1797750903 WTDQBQHTYYFOES-NECVAMPVSA-N 435.484 0.602 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797863701 PMBSULVCKRIBSR-JBXGNFEISA-N 437.928 0.592 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956167 GJYPKQSXLZMIBM-OCVGTWLNSA-N 445.589 0.271 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803142528 XVSBLMXBPCHOPZ-KMFMINBZSA-N 431.880 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1csnn1 1803748945 RJTBZIMGJKROMN-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnccn2)[C@@H]1c1cccnc1 1805433296 LJZFLMOTSIBIBX-BEFAXECRSA-N 446.471 0.504 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCCC2)[C@H]1c1cccnc1 1806887619 ITRNZVQVCQIVDV-WMZHIEFXSA-N 444.580 0.946 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CN)[C@H]1c1cccnc1 1807011462 DUCQLTJRNFJRBF-MCEOFGCISA-N 439.520 0.816 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970747 AEFCGGQEMDRXOJ-UHFFFAOYSA-N 437.305 0.224 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1810539744 IKUWOTRPHRWDDM-KXBFYZLASA-N 447.568 0.491 50 20 ICGD CCc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)co1 1811010769 QAGKFLAKKQNDNL-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813009509 QLUNAONYHHJLSM-DLVCFXQMSA-N 437.305 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3ccn(C)n3)sc2C1 1815553530 QRDPYZTYWLSHFL-GFCCVEGCSA-N 433.538 0.404 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598586 FIDNXSSVROYGST-MWLCHTKSSA-N 441.286 0.737 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)Br)n[nH]2)N1 1820931151 LNAUBPHERNYLIA-SBMIAAHKSA-N 445.249 0.690 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1822548131 HMOKDMQNMATNOU-HOCLYGCPSA-N 442.350 0.391 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)C(=O)O 1824673044 AWAALRFKBNESGS-JTQLQIEISA-N 442.570 0.450 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@]3(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826262030 RQQILUCAZTZWMB-SEDUGSJDSA-N 437.689 0.973 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050680 COEYHMWXEACKBF-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD Cc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830724640 AGFKBRJNMGSMNV-XLIONFOSSA-N 425.913 0.379 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830737907 KKDKDOABTQDHJD-FXAWDEMLSA-N 428.888 0.733 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830894910 HTLQJPAVUNUUAJ-XLIONFOSSA-N 427.929 0.620 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167040 JUXGJTXBVYKZCR-CXAGYDPISA-N 429.315 0.521 50 20 ICGD O=C(CC1CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834659874 BKQXTKFBBMDWFV-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836967858 XUFFCBDLYRYNTG-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376672 HLXLNUBXSCPXSZ-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838478521 NIVNEBKEJPLQKI-IFXJQAMLSA-N 425.869 0.898 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839153845 TUDVWFPYYCGNMH-SJORKVTESA-N 433.292 0.076 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840035288 MGZJOWMWPNXKQK-FZKQIMNGSA-N 441.326 0.683 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840150254 IIHISCJEAOXQSY-XLIONFOSSA-N 425.913 0.724 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)nc3)C2)C1 1840151010 UQPCQKKQLUWJJZ-YLJYHZDGSA-N 425.913 0.643 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1840792129 WBFWOWNGHYWMCQ-LIRRHRJNSA-N 430.860 0.504 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1)NC(=O)NCc1ccccc1 1842424085 CAAHFUPPKHFHPL-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011441 DKWBCUNMTKKBIC-UHFFFAOYSA-N 435.289 0.213 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845998853 SIEUXMRZHGCGOX-ZDUSSCGKSA-N 430.417 0.473 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386330 AYAVTOKUNPUBDT-INIZCTEOSA-N 429.521 0.381 50 20 ICGD O=C(COC(=O)c1ccc(N2CCOCC2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728338890 OMDGTFQXOPGJKX-IBGZPJMESA-N 441.440 0.667 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 728509555 HZCFRBSPRGZBSB-ZDUSSCGKSA-N 433.552 0.893 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728848177 YMPUCRKGPDBJSD-UHFFFAOYSA-N 446.533 0.841 50 20 ICGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728961932 SBIINIBCVFGCFM-UHFFFAOYSA-N 443.483 0.521 50 20 ICGD Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 735473136 NTFOBXLJOHNLFH-UHFFFAOYSA-N 435.384 0.448 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)N[C@H]1CCS(=O)(=O)C1 742577016 KOUJLNCQSNWFGU-RYUDHWBXSA-N 438.535 0.425 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 743288963 LQCSVSJQHXOGHZ-OAHLLOKOSA-N 432.930 0.542 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744889290 FJUQDTJJZWBSCB-UHFFFAOYSA-N 436.428 0.860 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F 747429409 NBEZVHZLJNUEEG-SECBINFHSA-N 431.877 0.957 50 20 ICGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 749284839 XCESFFFHRONEGR-UHFFFAOYSA-N 426.398 0.723 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 751427085 YBWFBSSZTGUKEI-OKILXGFUSA-N 448.549 0.889 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNc3cc(Cl)nc(N)n3)CC2)c1 753454839 XVCQXDKHIVEMNH-UHFFFAOYSA-N 439.929 0.616 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CCN(CC(C)C)C2)cc1 757288023 BFIONCCGHACSKF-KRWDZBQOSA-N 439.582 0.924 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)c(OC)c1 761267300 QPCGZRJFNFIIHC-UHFFFAOYSA-N 429.476 0.786 50 20 ICGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763532404 ZWEBGSIXDMCCJS-UHFFFAOYSA-N 441.536 0.981 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 763759509 XLHIDOUNNFQASE-UHFFFAOYSA-N 432.444 0.913 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763867229 UEVJCFCXICYMCE-JTQLQIEISA-N 431.359 0.494 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 764318224 DPBUYGHZCWLAIJ-UHFFFAOYSA-N 448.476 0.389 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 767025895 WMEGVCXEWQHHSD-INIZCTEOSA-N 437.928 0.348 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 768262476 IIQQYGDWTFJMHJ-UHFFFAOYSA-N 433.471 0.472 50 20 ICGD CN(CC(=O)NNc1nc(O)c2cnn(C)c2n1)S(=O)(=O)c1ccc(Cl)cc1 770973971 QSOPFZXGLIZLPW-UHFFFAOYSA-N 425.858 0.486 50 20 ICGD COCCC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 772958135 UUMUQCCKCJJKKR-UHFFFAOYSA-N 439.534 0.604 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 773498724 CRZAEWXRUOIKAA-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 773644039 WSUCCUPBPKYIME-UHFFFAOYSA-N 429.389 0.970 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cn2)C[C@H](C)O1 773700349 JJWSXVVXZCFOPJ-KBPBESRZSA-N 425.449 0.472 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc(C#N)n1C 779582823 YRAOCRIATJPZQT-RPXHZFJKSA-N 431.518 0.765 50 20 ICGD COC(=O)c1cccc(NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 780796348 UTUZWLHJQHLMHF-UHFFFAOYSA-N 426.433 0.921 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NN(C)c1ccccc1 783429707 OKVXZVKXWHFKAR-UHFFFAOYSA-N 448.501 0.822 50 20 ICGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783833321 WKFDQWDHFNYNSI-SJORKVTESA-N 438.506 0.886 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 784851707 OVLSVDBNTSCMHG-UHFFFAOYSA-N 436.446 0.935 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1=O 785651512 UZJLPPKFFABPRQ-ZWKOTPCHSA-N 430.505 0.632 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 786130160 XHQLJBAQSXIHCE-SFHVURJKSA-N 433.428 0.641 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1 789735442 OTOQMEKVXKMQIA-CQSZACIVSA-N 447.517 0.347 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)cc1OC 791464374 DTBABZPIZMFASI-GFCCVEGCSA-N 444.448 0.585 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1F 793411938 MNYVTBUYOZFIJG-UHFFFAOYSA-N 445.476 0.465 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797369433 WRWNWSPZKZALMZ-UHFFFAOYSA-N 427.417 0.657 50 20 ICGD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NNC(=O)NCC(F)(F)F)CC2)cc1 798314046 UYAJOKITEDBXEM-SREVYHEPSA-N 429.399 0.793 50 20 ICGD COc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s2)c(F)c1 800690797 NPENTJDRGWEHJL-VIFPVBQESA-N 430.483 0.965 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(C)(C)N3CCOCC3)cc2)CC1 801175602 CVFSPGGSRUOHCQ-UHFFFAOYSA-N 425.555 0.177 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n[nH]2)cc1 810148465 ZXDGJNRYJJQXBG-UHFFFAOYSA-N 438.469 0.996 50 20 ICGD COC[C@@]1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN(C(=O)OC(C)(C)C)C1 813367923 POXBDURSJJPCDX-HXUWFJFHSA-N 445.480 0.697 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)C1CCCC1 815570426 BWBQFZMMWLMLDA-OAHLLOKOSA-N 439.490 0.213 50 20 ICGD CCCn1c(CCC(=O)NNC(C)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 912694143 YUKFPFPFDYECFD-UHFFFAOYSA-N 437.522 0.567 50 20 ICGD CC(C)n1nc(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2ccccc2c1=O 912979452 VDNAQBCLMGAJTD-UHFFFAOYSA-N 432.462 0.038 50 20 ICGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916126754 UABQYSDWKVENIX-UHFFFAOYSA-N 443.547 0.590 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)C(=O)C1=O 916141749 OCBFFNYUJMEIPA-LLVKDONJSA-N 441.282 0.055 50 20 ICGD COc1ccc(-n2ccnc2SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919884924 LMPDEWPAWWGGNS-GFCCVEGCSA-N 439.519 0.491 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1OC 919954687 RZBLETYKAAQFAD-UHFFFAOYSA-N 438.414 0.797 50 20 ICGD Cc1cc(C)c2c(N)c(C(=O)NN=Cc3nc4c(c(O)nc(=O)n4C)n3C)sc2n1 920373153 TYTJCUVEWQZIJP-UHFFFAOYSA-N 426.462 0.945 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCc3c(C)ncnc3O)CC2)cc1 1116301432 LQNMGXUBWLJACT-UHFFFAOYSA-N 426.521 0.697 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380466 LINWKBHOTCUMBS-HXUWFJFHSA-N 449.584 0.312 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1779037151 PZCXYMYMCVQNCZ-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1779181811 QBKCJGZBSNGOCZ-APPDUMDISA-N 430.292 0.229 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccccc1=O 1779270803 RRGSDEFVYOCXFL-MRRJBJDNSA-N 430.274 0.930 50 20 ICGD Cc1ncsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786094405 NSKICRBHTFXWJV-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788778937 WHZMTWXISCKMDA-QXKUPLGCSA-N 448.358 0.291 50 20 ICGD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)[C@H]2C1 1789222290 OZBUZLPBSYOPIM-OWQGQXMQSA-N 435.433 0.760 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1791055126 KCJWQYORVFINFJ-QMVSFRDZSA-N 439.372 0.430 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791558838 IFBUCLHOPVBFQY-BJDJZHNGSA-N 432.344 0.660 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCCSC1 1792198306 KDUAWMBFQJSVRO-NBMJBFSESA-N 432.351 0.103 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1792868066 OKJAGUBBDYNEBO-GUDRVLHUSA-N 427.242 0.717 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)C1 1792970270 AYAHRMPVMPULMU-MTWVNVMRSA-N 431.327 0.949 50 20 ICGD CC(C)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1794052800 VCXXXHXTNUKRDM-WKCHPHFGSA-N 427.354 0.739 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccnc1Cl)c1cccc(B(O)O)c1 1794219988 DDUYKTFAKLJQCV-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)o1 1796753967 NFAMEEFORJQTIQ-CULMDFNYSA-N 433.852 0.449 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)nc2nccn12 1799347650 UJESWUZLDWRZLD-XCCSTKFXSA-N 440.273 0.931 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2)[C@H](F)Br 1799348275 BRMQTTBXAHSSSH-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CCC1 1800915701 LJNBJLMQYZFTSU-HATOLVCRSA-N 448.328 0.692 50 20 ICGD Cc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805800244 JCJBXQGQZOVIKK-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3cnnn3C)C2)CC1 1807303277 ZERDGOPHTGZARM-BUVRLJJBSA-N 440.508 0.794 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363433 OUKNQLHLYPESNU-RXVVDRJESA-N 430.273 0.790 50 20 ICGD C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCCN1 1808069437 WKQMCSZGBVMVIP-QMHWCDLVSA-N 436.321 0.223 50 20 ICGD Cc1cc(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)on1 1809975187 WTKZDZGHSCORAZ-UHFFFAOYSA-N 425.294 0.750 50 20 ICGD CCO/C=C/C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304488 DPEGMDYOAONMJX-KLFHKAFYSA-N 438.488 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810550827 UAGYOZMTNXMOET-UHFFFAOYSA-N 433.509 0.711 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071694 UCTMWUCUCUIVTE-STRKUORWSA-N 432.569 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 1814526187 YEOXXMWLIVUNRU-ZFWWWQNUSA-N 433.513 0.301 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)cco1)CC2)c1cccc(B(O)O)c1 1815355552 WALWOQQYHDHEKF-CYBMUJFWSA-N 439.258 0.316 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)s1 1817474257 BOYUIBMHPWWAQN-CQSZACIVSA-N 440.294 0.748 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccnn2)n[nH]1 1817652412 UGXKWXHUXNCXLI-OAHLLOKOSA-N 438.452 0.006 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404495 NUMWNQHKILFCPV-UKRRQHHQSA-N 449.899 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)no1)CC2 1819797928 OOOBNHLHNHIKEK-QMMMGPOBSA-N 443.445 0.375 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416285 ZRLYPEGSUFGYEM-INCQDFKNSA-N 440.570 0.934 50 20 ICGD Cc1cnn(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)c1 1826085133 GOQJKBGOGMQCMR-CYBMUJFWSA-N 433.538 0.633 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830718889 SLRGQXFKRMYTJX-IHSNIMORSA-N 446.928 0.286 50 20 ICGD O=C(c1n[nH]c2ccc(F)cc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730986 GQNWDLMSTHYITR-DNVCBOLYSA-N 440.859 0.372 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831651959 VCMHROYTDGSKET-WBJHSIEHSA-N 427.929 0.685 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171202 VUMKMNYNBCYZJR-GUYCJALGSA-N 427.299 0.259 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312796 DWSLSBQFMKPAQO-KSSFIOAISA-N 425.961 0.924 50 20 ICGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1C 1833366424 CXKSZALBQHGTIU-GOSISDBHSA-N 425.961 0.442 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833952879 DDUDABCCIPVPNK-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836715357 RFZZXKZTTCANRC-MRXNPFEDSA-N 443.888 0.390 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062717 DCDZMGPCSJJLLK-ZBEGNZNMSA-N 431.287 0.216 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)nn1C 1838834540 JONOILMXVJSPQI-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839151764 CSTUHKCWWDTSCL-CVEARBPZSA-N 441.381 0.696 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839151963 JKHKTDRDKZLAIF-ZYSHUDEJSA-N 445.347 0.774 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202166 WJBPYEUKZYAWOC-DOTOQJQBSA-N 447.305 0.716 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839499822 ZUMAVQZFUNRMHM-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1 1840031793 CGKFSWUDDDAKTK-PBHICJAKSA-N 429.315 0.431 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nc1 1840032708 HWUQTSRSXXSNME-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1840152199 ATRJHBXXSMUQGP-AFBRZQFHSA-N 440.928 0.783 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840152986 AISJZQDXDBDUBV-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)n(C)n1 1840153475 PNIJIGVCEGIXOL-HNAYVOBHSA-N 428.917 0.306 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840186327 JAXGZTFJLZQKEK-GOSISDBHSA-N 432.304 0.893 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CN1Cc1cccs1 1841977508 AXUIYOHKARRGNJ-DZGCQCFKSA-N 425.938 0.900 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842796429 QJQARAOBHPQKNN-OLZOCXBDSA-N 428.917 0.601 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014519 SEIXPMCDMMHUGS-UHFFFAOYSA-N 439.668 0.422 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264280 BFKHROZOPUNHOU-UHFFFAOYSA-N 439.501 0.834 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 10292085 QGFWUUGCJKWIHS-UHFFFAOYSA-N 439.444 0.757 50 20 ICGD O=C(NNC(=O)c1ccc2[nH]nnc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 24153947 ATJSNCAMFTUJMQ-UHFFFAOYSA-N 430.446 0.054 50 20 ICGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)CNC(=O)c1cccs1 725902718 SKPYBYXONTZROM-UHFFFAOYSA-N 427.442 0.710 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnn1-c1ccccc1 728333526 YVOWIXHYTZOONU-KRWDZBQOSA-N 437.412 0.720 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 728730499 BVIAKGKEZGUXBF-UHFFFAOYSA-N 425.488 0.792 50 20 ICGD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732327546 PCBUPBICKWFFBU-UHFFFAOYSA-N 432.364 0.397 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732474414 LRLXECDDEPJCDX-INIZCTEOSA-N 427.527 0.185 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)[C@H]3Cc4ccccc4O3)C2=O)cc1 733776941 WJLMOKQGSCUWSR-SJLPKXTDSA-N 433.424 0.914 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cnn(C)c3)nnc12 735470624 DZXOGFBSYCKALA-UHFFFAOYSA-N 438.473 0.517 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 743284898 QMXIHFMRZRTDPN-CQSZACIVSA-N 433.424 0.214 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 744922750 UZZIHIXSKJMMDB-UHFFFAOYSA-N 436.833 0.477 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Br)s1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746100269 IGZRDYVOUDDBIV-WXHYEZKXSA-N 442.291 0.823 50 20 ICGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 751210446 FTSFWPUCODZTPY-UHFFFAOYSA-N 438.531 0.968 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2 755064414 REGYYGXSSRJBSR-NSHDSACASA-N 425.536 0.879 50 20 ICGD CCCOc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755440522 CPUMRHWPLWNWAX-UHFFFAOYSA-N 429.437 0.075 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755653953 ADCAKYZLQJEEIS-GFCCVEGCSA-N 429.499 0.024 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2cnn(CCN3CCOCC3)c2)cc(OC)c1OC 756826218 CMPMWDVKEUWKSL-UHFFFAOYSA-N 448.480 0.708 50 20 ICGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763734141 GXROUYHXYZVYHC-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)cc1 763809931 VXDFLVIDOWIPMT-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1-n1cnnn1 763936626 MFTFPLVHZRCXGF-UHFFFAOYSA-N 429.824 0.653 50 20 ICGD O=C(NNC(=O)c1ccc(F)cc1Br)C(=O)Nc1cnn(-c2ncccn2)c1 764086929 XFCRDLFRQZVEPM-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccccc1 764328402 FCBRCQARBCXMDD-QGZVFWFLSA-N 440.456 0.869 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 764397446 JYPIRWZPKNIKAL-OAHLLOKOSA-N 435.525 0.354 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc2c(c1)OCO2 764516301 RWRCSCWPEWOQFY-UHFFFAOYSA-N 425.445 0.700 50 20 ICGD O=C(CSC[C@H]1CCCCO1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733012 LJZCBJWBRRAXOJ-GOSISDBHSA-N 434.562 0.894 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCc4c[nH]nc43)nc2)CC1 767227722 VPHLIYDNOZLFQZ-OAHLLOKOSA-N 434.526 0.445 50 20 ICGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 769424279 PRRYDWCBQMZDJS-GFCCVEGCSA-N 429.315 0.820 50 20 ICGD CCCCCCn1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c(O)nc1=O 769620447 FDASOTWGAFQCPQ-UHFFFAOYSA-N 438.462 0.881 50 20 ICGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 769776707 FIYQLKOPXMVILZ-ZDUSSCGKSA-N 432.593 0.616 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 773701410 GQJNPAXONOJRHI-IBGZPJMESA-N 435.440 0.654 50 20 ICGD COc1ccnc(NNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)n1 775758977 GAEDJIVWPWKOBQ-UHFFFAOYSA-N 428.409 0.514 50 20 ICGD COc1ccc2[nH]cc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)c2c1[N+](=O)[O-] 785453166 MEEKFXLZWMISBK-UHFFFAOYSA-N 447.433 0.120 50 20 ICGD Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 787541715 VGOVDEWUSYJYDH-KRWDZBQOSA-N 439.428 0.451 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1cnc(C#N)n1 798861094 AWJXXMOPFHMHRN-CQSZACIVSA-N 442.443 0.874 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)ccc1F 806975709 LTDBRJSZMMNPPW-UHFFFAOYSA-N 444.828 0.493 50 20 ICGD CCN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 806976546 GEVGWSBKXBALAV-UHFFFAOYSA-N 426.429 0.949 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)NNC(=O)CNC(=O)c1ccco1 813814273 MBVFVUWCLKOEIC-RYUDHWBXSA-N 427.433 0.687 50 20 ICGD CC(C)(C)OC(=O)NCC1(C=NNC(=O)CSc2nnc(O)nc2O)CCOCC1 814216906 IFGVNUXEEZXYBL-UHFFFAOYSA-N 442.498 0.798 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 815692675 YBQKYMBLXOXYTR-OCCSQVGLSA-N 446.439 0.324 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 916247881 OUJGMSLGFYCVPP-UHFFFAOYSA-N 437.456 0.940 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516692 OJLPIDWMINACMW-UHFFFAOYSA-N 428.515 0.272 50 20 ICGD O=C(NCCc1nnc2n1CCCCC2)NNC(=O)C1CCN(c2ncccn2)CC1 1115984106 IXLKMJYFWNZBSX-UHFFFAOYSA-N 427.513 0.584 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cn1 1318668271 RDDKPRZJVBNQFQ-AWEZNQCLSA-N 441.897 0.068 50 20 ICGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1322547262 VEJOOCKTSVPXST-UHFFFAOYSA-N 432.506 0.791 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778903212 UXYULPZSOVNCNI-UGTJMOTHSA-N 428.338 0.930 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1779545478 QFCNPFKJXSIGEW-JLTOFOAXSA-N 449.584 0.555 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)cc3)C2)C1 1780729467 VVMFITORYJEMMH-QFIPXVFZSA-N 431.537 0.569 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1782171966 IHAIGPMUJOOWLR-LUXYFRNMSA-N 438.974 0.435 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783530366 XAWGGYBLZPOXFT-FZKQIMNGSA-N 441.326 0.748 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783537091 KITJLVBZSRKZOX-MPGHIAIKSA-N 431.375 0.236 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783877130 GINLDCYVOTXNNM-CGJGEUGISA-N 439.896 0.536 50 20 ICGD Cc1cc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1F 1785063407 YFTIHJWRCAUQAQ-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncs3)[C@H]2C1 1786209506 RGGOQPUZJMNISG-DZYDDEDGSA-N 444.517 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3C3CC3)[C@H]2C1 1786289105 IXFXXZWYMQZBPI-XIRDDKMYSA-N 433.509 0.518 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2n[nH]cc2c1 1787301192 AGMCYPPPBWTZOG-LRQRDZAKSA-N 448.288 0.150 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccc(OC)cc3)C[C@@H]21 1791251087 UUCXDUYYFSFUIZ-XFUTXVRSSA-N 440.924 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 1791252194 CTJVLWHCDNAZQZ-XQLPTFJDSA-N 426.901 0.234 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792837332 GZCHSDSZUUKOPN-FAQVEIGNSA-N 446.935 0.654 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1OC 1793655387 GVDSQYPUEUSBTC-UIVXKWKOSA-N 440.924 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C(C)(C)C)c1 1794350809 HPDRZQLNEUPSAM-HGKCTWBKSA-N 434.541 0.214 50 20 ICGD COC(=O)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190584 OBWDQNTXHDFLMM-REPLKXPHSA-N 430.310 0.742 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc(O)c([N+](=O)[O-])c1 1796191798 YXEOBGNGKYQWIH-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1nc2c(=O)[nH]c3ccccc3n2n1 1797104397 OQEYOQBUJPPROD-RDBQEKCUSA-N 448.842 0.308 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(OC)c1OC 1798768969 JFNQLUBCWSUTPW-QVHKTLOISA-N 427.885 0.556 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nc2nccn12 1801010994 FEIWQVRLTNMBNZ-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1801923338 DFEAGEONXBFPPS-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1801969692 PIQDNXAIKTYMRM-XLWJZTARSA-N 433.933 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncn2C)[C@@H]1c1cccnc1 1805817723 JSDLQFANUQKPHK-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD CCOC(=O)/C=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1806298193 DIGPGSLYFWLFGA-DZJXNLTGSA-N 445.520 0.580 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374971 LUYSELZDAFZZJE-BEFAXECRSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cccn2c(O)nnc12 1808182096 BKFQOHJXVSJOPF-IMJJTQAJSA-N 444.879 0.749 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810214810 GJJXMTKAYWYGDN-KFNAQCHYSA-N 436.310 0.994 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n[nH]1 1811469655 HFCSLWATYZPXIZ-KXBFYZLASA-N 448.487 0.745 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813333692 FMILMMWRVFUMTL-VGSWGCGISA-N 442.520 1.000 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnc1 1815003934 ZULHGNQGCBRPDS-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnc1 1815350260 MXLGCRAVVLNMIU-IUODEOHRSA-N 439.306 0.506 50 20 ICGD O=C(Cc1cscn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815514626 VAVAMBXNNKUVMF-ZDUSSCGKSA-N 442.331 0.748 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 1818032260 YPVVFDXTKJUWIL-CYBMUJFWSA-N 446.468 0.290 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccncc1O 1819672440 QEJWEERVZQMJBV-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CCOCC1)CC2 1819795160 IZNHSLZGCDNXGS-GFCCVEGCSA-N 444.517 0.794 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1ccc(O)nc1 1821480854 QRDFMTKJCPKOST-CQSZACIVSA-N 438.274 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCS(C)(=O)=O)[nH]n1 1822417115 AEOWTICQAIXCHO-CQSZACIVSA-N 442.542 0.210 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1CCC(O)CC1 1822545606 ADVDMPOQVQCQIZ-YVNUBYTISA-N 440.309 0.947 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049958 AIKQFOWCYTYGQY-GOSISDBHSA-N 425.298 0.042 50 20 ICGD CC(C)N(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055466 YACMESSPDHPCAY-NRFANRHFSA-N 429.370 0.940 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830398008 SJIWRXRADAEPSH-UXHICEINSA-N 441.337 0.221 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1830542689 BWHNPHWRMQHMDA-GJYPPUQNSA-N 446.386 0.816 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833512408 FFCBWOMCKXGYQY-INIZCTEOSA-N 426.590 0.518 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834189362 ACZTYRVKJODZNS-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD O=C(Cc1ccccc1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834485050 NIOAWUUJRVQPRA-UHFFFAOYSA-N 449.360 0.794 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1)c1cc(O)n[nH]1 1834771910 PQJCYFHVKJURRW-AWEZNQCLSA-N 432.294 0.991 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819731 ZJIOYMMIGMCPRU-MRXNPFEDSA-N 433.278 0.712 50 20 ICGD Cc1nocc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837513978 KWNDBMOLTUAYDU-UHFFFAOYSA-N 441.293 0.589 50 20 ICGD O=C(c1ccc(O)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838651956 HBZYMJQPNNVQHX-BBRMVZONSA-N 432.246 0.548 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1 1839153260 DMHXSYZDGMKBTP-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153336 GVXRRIARRXVIDJ-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD COc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(C)c1 1839406823 PDCWSFQSKNSKOP-DYESRHJHSA-N 440.924 0.982 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630393 VMWPMFCUPBEATD-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1)C(C)C 1840033655 MMVMFCXBKBRBQM-DHSIGJKJSA-N 449.342 0.814 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840153248 IKKAROQMFNENRC-UZLBHIALSA-N 436.896 0.658 50 20 ICGD O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)NCc1ccccc1 1841328618 UTWINDPWIWPRQJ-ZHACJKMWSA-N 447.300 0.056 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2ccc3sccc3c2=O)C1 1842020426 IHWUAKLIXQPOSU-UHFFFAOYSA-N 445.545 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844491792 HDDPDLNJPIGXPM-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845231780 HLMNWVAYNMBODE-UONOGXRCSA-N 433.933 0.719 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(OC)c1OCC(N)=O 17411506 PKEOHROFGLVHTQ-UHFFFAOYSA-N 441.444 0.458 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cccnc2)c1 104712728 OPUHJOJCUXNCDW-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 105871738 XEKGYBXJSRRGLK-UHFFFAOYSA-N 427.417 0.114 50 20 ICGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)c3ccc(Br)s3)nc21 109412954 QTXBBDNKCPZGNV-UHFFFAOYSA-N 441.267 0.168 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)n[nH]2)cc1 725886678 UHBCVXVUXCGSGJ-UHFFFAOYSA-N 431.478 0.167 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2c1=O 726379220 ILIKEIQEJGCIJZ-UHFFFAOYSA-N 427.421 0.989 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c(OC)c1 728179059 NZEJPRHZBSQQOG-UONOGXRCSA-N 425.507 0.549 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 730091786 WFHOUBAQLTVMCE-UHFFFAOYSA-N 443.888 0.993 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730778301 FWMDAXPAKBXUFO-AWEZNQCLSA-N 427.413 0.743 50 20 ICGD N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(S(N)(=O)=O)CC2)c(-c2ccccc2)n1 732066065 HVUNRGZPQOAPDO-LGMDPLHJSA-N 439.501 0.718 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COCc2ccccc2)C1=O 737636680 VQVQVCBZCIOTBJ-OAQYLSRUSA-N 428.420 0.957 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1OC 742480732 NXXSVKMAVWVPDN-UHFFFAOYSA-N 449.485 0.818 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1NC(=O)c1ccccn1 745979345 MVTQISOFNCZAMR-MRXNPFEDSA-N 436.446 0.067 50 20 ICGD NC(=O)c1ccc(CSc2ncccc2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748239447 HLSJCGAKKCYDKP-UHFFFAOYSA-N 427.486 0.856 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1)C(=O)NC1CC1 751303034 OWTQABXSPNYNOQ-UHFFFAOYSA-N 428.536 0.789 50 20 ICGD Cc1cc(OC(C)C)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756088583 PQSFEKFQDIBGKL-UHFFFAOYSA-N 443.464 0.382 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1C 756637293 IXYNJILRZMRQBD-UHFFFAOYSA-N 444.473 0.664 50 20 ICGD O=C(COc1cn(-c2ccccc2)nc1C(=O)NNc1cnccn1)NNc1cnccn1 763225620 WCVVVCGLODWHBX-UHFFFAOYSA-N 446.431 0.731 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2c(Cl)cccc2N2CCCC2)c(=O)n(C)c1=O 763358534 AVSHAEJQHOHYKE-UHFFFAOYSA-N 436.925 0.975 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)n1 763881212 LWLKHPROUZBBOI-UHFFFAOYSA-N 449.471 0.611 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C#N 763917031 ODNIMIHKVBMQJW-UHFFFAOYSA-N 434.416 0.721 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 763943346 GDDVTZFRKRDPNA-UHFFFAOYSA-N 436.428 0.727 50 20 ICGD Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227094 MCDXKOYNYGBQLF-KGLIPLIRSA-N 439.538 0.397 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 764228214 VXEJLMOSTCJGKN-LBPRGKRZSA-N 434.499 0.172 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764365899 HWHLTZIIRSAPIY-UHFFFAOYSA-N 442.476 0.245 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764394601 SWMKXVBQZSHXOI-UHFFFAOYSA-N 433.442 0.822 50 20 ICGD CC(C)(C)Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2ccccc2)n1 764432512 ICZKBOSOVGILKI-MRXNPFEDSA-N 429.477 0.962 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@H]1CCCO1 765119927 VGUWNMDXKRFFLP-QGZVFWFLSA-N 430.958 0.587 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)NC(=O)c3ccoc3)CC2)cc1 765756416 WJHBIGGQSJEDPJ-KRWDZBQOSA-N 427.505 0.672 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)c2)NC(=O)NC1=O 768927918 CPTCYBUPYSVUJD-NRFANRHFSA-N 434.412 0.707 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)C2=O 772196740 QLKZIAZYMOHLBF-UHFFFAOYSA-N 428.832 0.708 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 776301744 YDKRHVSPXYTXIX-UHFFFAOYSA-N 448.457 0.910 50 20 ICGD COCc1ccccc1S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 778555974 GAPKRHAOLLWLOO-UHFFFAOYSA-N 441.531 0.772 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H](CO)c1c(F)cccc1F 778590241 XRFUXBDMMSHHOO-LBPRGKRZSA-N 427.433 0.936 50 20 ICGD O=C(NNc1cccc(F)c1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 783037317 NWZZMOFDYLNCIH-GOSISDBHSA-N 428.420 0.922 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CCS(=O)(=O)C1 783428737 WTEZWGQDLVXJTA-HXUWFJFHSA-N 434.518 0.512 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 784002520 RJEVDHFRLSIJDE-UHFFFAOYSA-N 448.439 0.711 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)sc(C)c1C 784004591 YOOUHTUNUXUMOA-UHFFFAOYSA-N 438.487 0.729 50 20 ICGD CN(C)Cc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Br 786424234 NHFLOAWVIAHTJS-MRXNPFEDSA-N 447.355 0.647 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 789311879 NTPYKEXMEPFXQO-UHFFFAOYSA-N 433.432 0.993 50 20 ICGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNc3nc4ccccn4n3)cn2)CC1 792305706 NTNZTHUTUKSJNU-UHFFFAOYSA-N 431.482 0.355 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796989192 ANNGLYFACJGBBG-UHFFFAOYSA-N 441.375 0.819 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1F 796991714 HWASGOSZFGUTAS-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 800595813 HMFOBDUZYDKZAW-GFCCVEGCSA-N 431.424 0.922 50 20 ICGD COc1cc(C)nc(NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 801164380 KSKSZVXVNRVKBE-UHFFFAOYSA-N 425.442 0.711 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)nc21 802467902 HLCMLKBTEBKNFK-GFCCVEGCSA-N 426.437 0.375 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNc1ccc(-n2ccnc2)nn1 806385230 ZNIUWPPQTPPUKY-ZDUSSCGKSA-N 431.482 0.984 50 20 ICGD COC[C@]1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCN(C(=O)OC(C)(C)C)C1 810308528 DDVQVRKMKQFXKP-IBGZPJMESA-N 440.522 0.899 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c(OCC(F)F)c1 810384398 JYLQQISQZNRQBC-UHFFFAOYSA-N 438.362 0.897 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 825549173 LUAZUROZTCYOGL-UHFFFAOYSA-N 442.444 0.901 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2nc3ccccc3oc2=O)c1 873788611 LOLBOJXOAQSKFH-UHFFFAOYSA-N 444.469 0.832 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCOC[C@H]1CCCO1 916209989 XLWXLTLMPFGUMS-CQSZACIVSA-N 427.527 0.818 50 20 ICGD CN(CCO)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 916259028 UDVAMYNCZSAFQA-UHFFFAOYSA-N 446.529 0.900 50 20 ICGD CC[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 919889740 SGSMESJIXSTVOT-STQMWFEESA-N 441.901 0.462 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 920920540 NEDNWGLGJFIQKN-QGZVFWFLSA-N 432.568 0.644 50 20 ICGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1116585556 FJAZZSUTYJETMX-UHFFFAOYSA-N 447.517 0.757 50 20 ICGD CN1CCN(c2ccc(/C=C(\C#N)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2F)CC1 1251126915 QQXXFSDHXWOAMB-GXDHUFHOSA-N 426.452 0.347 50 20 ICGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1319952247 JWMUHIUVKILOPF-CQSZACIVSA-N 449.533 0.426 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)no1 1779820303 QQBIIXYDJZUICE-DYESRHJHSA-N 435.525 0.738 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1OC 1781816410 MPUMLPZALJBSAQ-DJJJIMSYSA-N 430.860 0.886 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1781929814 LBUYGGTWMUSBEQ-NRFANRHFSA-N 446.215 0.108 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1783667561 YVLXSDOITBJVGC-QGZVFWFLSA-N 427.325 0.690 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C(=O)c1ccccc1 1784345314 NTOFVFWDSGLOPR-XSLAGTTESA-N 437.924 0.338 50 20 ICGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786401250 UZLGMJBEGSOTFV-AVGNSLFASA-N 427.299 0.864 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)F)no3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979786 GLCQSKFLWILAGK-JDFRZJQESA-N 449.219 0.199 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787505872 RTECMNZUBQEYGG-JONQDZQNSA-N 435.974 0.409 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1789873373 VMWRVYGBIALRFX-USXUVBGUSA-N 448.269 0.881 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287316 LWXCLSDETQDEBM-BXTPVMGZSA-N 449.342 0.755 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791292435 DDGRYJMQNDVDEG-RHYQMDGZSA-N 430.354 0.098 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl)[C@H]1SC(=N)NC1=O 1792781900 GGOQITDUZZYCHP-IEECTRCBSA-N 430.958 0.643 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CC1 1792983069 BHBSRUORVWDNOC-QKPAOTATSA-N 431.917 0.044 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc2ccccc2n1 1796188926 BPURTNJUWNMOJN-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2)[C@@H](F)Cl 1796364289 BIOPVPVXEIBMLH-RDBQEKCUSA-N 448.842 0.308 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnnc1O)C2 1796891956 QRMUTGWOTNEIFY-BQELMUNXSA-N 425.449 0.568 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797168186 KOCXHYWXUJGJDA-XFMPKHEZSA-N 432.315 0.592 50 20 ICGD O=C1Cc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)ccc2N1 1797979108 GBJHQJYUJCEKBD-REPLKXPHSA-N 433.273 0.427 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ncnn3c1)C2 1798441615 ARCGUXRFNPNSCL-MUJYYYPQSA-N 448.487 0.222 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012313 UXIPZMRUVCNMNA-HCBXPFHNSA-N 441.532 0.890 50 20 ICGD COc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012509 LVEAHFFDBPYQJO-UPHUGPLXSA-N 432.521 0.580 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806187288 WXKFPSXSSQLDTG-UHFFFAOYSA-N 443.353 0.374 50 20 ICGD Cc1ncoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363647 NGSJLKQCRLKQGK-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807384784 YQCPTLJHJASHHF-ZWOKBUDYSA-N 442.907 0.973 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CC1(F)F 1809526161 YHUGTKQVNVNKTE-SZMVWBNQSA-N 429.232 0.736 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)no1 1814874157 YIGZSXXOPBMXPK-ZIAGYGMSSA-N 438.872 0.728 50 20 ICGD O=C(CN1CCCCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339697 MSSFDXDLEYKRDP-MRXNPFEDSA-N 442.350 0.535 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCCO1)CC2 1819791048 LXHIVZXIZOELLT-IAQYHMDHSA-N 444.517 0.937 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cccn1 1822797328 BLRDQAJVGYAKCR-KSSFIOAISA-N 436.281 0.853 50 20 ICGD O=C1CCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826726306 XAKYYVRBDHCTFF-FQEVSTJZSA-N 441.337 0.222 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)s1 1830724262 DXYQJBOZGCLKFK-CRAIPNDOSA-N 431.942 0.359 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733513 NTDCRKZMNQTCEX-YJBOKZPZSA-N 445.831 0.404 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831639882 FXCKRYGDPLQDAV-QAPCUYQASA-N 443.888 0.655 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)C(C)(C)C)CC2)CC1 1833287600 YOBVZRCTOWMBHR-HXUWFJFHSA-N 439.601 0.338 50 20 ICGD Cn1ncc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1Cl 1833312700 XUDXTVFMFYIGFQ-HNNXBMFYSA-N 432.352 0.858 50 20 ICGD COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833967785 KYBJLRQYBXXSNU-HNNXBMFYSA-N 425.917 0.270 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834288486 VXJOMWQWHDQAIE-GUYCJALGSA-N 427.299 0.578 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834666172 KTWLGFPZARJGFA-OAHLLOKOSA-N 438.893 0.300 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)[C@H](F)Cl 1835078454 GZBQVMCPJBLRAI-INIZCTEOSA-N 430.868 0.897 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](F)Cl)CC4)CC3)cc21 1835079933 CSYGSAOGNQPUOU-INIZCTEOSA-N 440.907 0.346 50 20 ICGD Cc1cnc2c(C(=O)NC3CCN(C4CCN(C(=O)[C@@H](O)CCl)CC4)CC3)cnn2c1 1835562379 LLACLDISTPUTOS-SFHVURJKSA-N 448.955 0.823 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361467 SSTRIQQDYIQNMT-BBWFWOEESA-N 445.402 0.454 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)CN1 1836413986 SPUINOPDJLQHRO-XHDPSFHLSA-N 433.322 0.385 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837747096 SPHVLDQYZKJDGL-DYVFJYSZSA-N 428.898 0.294 50 20 ICGD O=C(c1ccncc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837819958 DUZWYCIBQRLBCZ-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839176481 RCMOHKSMKQPXNN-RDTXWAMCSA-N 447.326 0.736 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839353278 ZMVFOBNQURWFAZ-QAPCUYQASA-N 445.831 0.404 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839605941 WNKSZXQDRWQYFM-UTKZUKDTSA-N 449.891 0.610 50 20 ICGD CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743556 YETHUVUMWOXUHG-CJRTWVEFSA-N 433.411 0.917 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839774412 XWNIDPXEXGTJPV-QAPCUYQASA-N 434.892 0.911 50 20 ICGD C/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839819502 ZMFILKKSCYPSRY-IAOLVPJDSA-N 431.493 0.543 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030648 RHLSBSJBOSHZDZ-XIKOKIGWSA-N 443.342 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1840151750 MXUMMHWOAZNQBR-YLJYHZDGSA-N 444.887 0.915 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1840182648 OWSYHCKFNDYPJU-XYASWCNUSA-N 434.493 0.122 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550399 UPJPQJCSHJKYFE-JKSUJKDBSA-N 445.365 0.114 50 20 ICGD COc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263334 SUYLIPPHIRBWMA-UHFFFAOYSA-N 439.472 0.590 50 20 ICGD CC(C)OC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384140 JPWPRVDFFMZCMD-UHFFFAOYSA-N 445.520 0.837 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847318616 MXTHFCSKFIBDAN-QPSCCSFWSA-N 442.944 0.847 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1Cc2ccccc2CN1C 1848068989 RGCXXYCZGQWYRJ-SLFFLAALSA-N 427.549 0.618 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 26508857 BWSDNYTXZZZMMN-FQEVSTJZSA-N 432.383 0.958 50 20 ICGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 728435491 CJURKMIGBBZSGB-CYBMUJFWSA-N 442.519 0.536 50 20 ICGD C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)[C@@H](C)N1CCOCC1 729624609 YLMWKFKZSXAECE-RBUKOAKNSA-N 432.569 0.638 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1ccccc1F 731370540 OVJUDFLKNMVPBR-UHFFFAOYSA-N 437.449 0.655 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 731494225 QWRQPQADUJWQGH-UHFFFAOYSA-N 425.488 0.759 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 731500600 FYJHMBDJKIYOJT-UHFFFAOYSA-N 434.474 0.137 50 20 ICGD Cc1nn(C)c(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] 734824551 CJNHJGDQMUGMIY-UHFFFAOYSA-N 425.446 0.980 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)c2ccccc2c1=O 750662345 CZAAIXMPHNECPJ-INIZCTEOSA-N 428.537 0.984 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cccc(N(C)C)n2)cc1 755099965 WADJJNKQCUGGSX-UHFFFAOYSA-N 434.522 0.607 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 755515407 SEZRDECXHUHGSI-UHFFFAOYSA-N 447.473 0.799 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 757724310 CCSPZFYRLRQYNU-QMMMGPOBSA-N 435.388 0.377 50 20 ICGD Cc1cc2c(N3CCC[C@@H]3C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ncnc2s1 758043814 KYAOOIHPRGFQEY-CMPLNLGQSA-N 426.524 0.054 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C 761072284 LHCMXGYFLRTQHU-UHFFFAOYSA-N 428.511 0.856 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(F)ccc2Br)c(=O)n(C)c1=O 761253869 LHSPHJQNJCUJQF-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763573043 WULCYJXXSDYOKW-QGZVFWFLSA-N 442.428 0.323 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763682353 RECSWQLKCLMMMO-HNNXBMFYSA-N 440.456 0.854 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764010564 BINUKYFSQGFCIN-UHFFFAOYSA-N 445.863 0.685 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 764176342 FSCXELBVRBGMJS-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274704 AYOWEFGLKUPDSI-UHFFFAOYSA-N 429.433 0.057 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)o1 764367948 POVSFUDDMJFCAM-UHFFFAOYSA-N 430.417 0.225 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 764397710 BIEAKYGOFOKKEX-NSHDSACASA-N 434.840 0.535 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766363909 XHZGSMWBJFCMDO-UHFFFAOYSA-N 425.423 0.977 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 767267668 PMEPVEJUWRJCFN-GOSISDBHSA-N 437.456 0.348 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)CNC(=O)c1cccs1 770509825 RGAKAPUCAQSVTM-SNVBAGLBSA-N 439.881 0.960 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 771987463 DKYIMDKOZWJTDI-CQSZACIVSA-N 442.538 0.939 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 777904324 KPXSITLDAKJFTQ-UHFFFAOYSA-N 430.465 0.506 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(F)(F)F 778627776 YJEKJVQQTIFNPC-OAHLLOKOSA-N 438.407 0.415 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)n2)cc1 778707256 JIFXMDAVOSUXTH-UHFFFAOYSA-N 448.439 0.977 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782885232 GQXZPJVPWQZAOT-UHFFFAOYSA-N 438.488 0.972 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(Br)cn2)cc1 784341704 RLYIOAOPBLIRFU-UHFFFAOYSA-N 442.295 0.975 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)N1CCCCC1 786193734 QDFRQYPNYQZFHI-CYBMUJFWSA-N 425.511 0.712 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971866 ZQVLPTSELDLKLO-LRDDRELGSA-N 428.436 0.838 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cccc1C(N)=O 789810503 PJTRSNVNWBGXLT-GUYCJALGSA-N 426.429 0.453 50 20 ICGD CS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794599051 UFLBZWUOAXFMIF-UHFFFAOYSA-N 441.487 0.326 50 20 ICGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 800055605 QXRMRKQJRHZXNP-RISCZKNCSA-N 447.539 0.144 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1cccnc1 804028676 RUSNZNFKTNVHOB-UHFFFAOYSA-N 447.517 0.566 50 20 ICGD COC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 804124754 SPDIDRVEMPZKFT-BRADTZPFSA-N 433.508 0.109 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 805749543 ZJHIKGABVFFUHB-HNNXBMFYSA-N 433.534 0.877 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)n1 807023946 BPEVEOSYEVRINE-UHFFFAOYSA-N 439.473 0.452 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 810105733 FHPSLYYVZKFIJL-UHFFFAOYSA-N 425.488 0.138 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 814266285 BLWXKGRQTDEPEU-UHFFFAOYSA-N 444.455 0.796 50 20 ICGD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 814293953 MIKJYWIHIPUXPF-KRWDZBQOSA-N 434.474 0.389 50 20 ICGD CN(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 818563593 PNTKEMQMBYANGC-KSSFIOAISA-N 426.470 0.085 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CC[C@H](B(O)O)C2)CC1 864234824 WQRTZVQBSRXJLE-AWEZNQCLSA-N 425.272 0.379 50 20 ICGD O=C(NNC(=O)[C@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638462 OYEFWJHCIARZRH-CQSZACIVSA-N 431.561 0.317 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCCN2c2ncccn2)cc1OC 914663962 OYSNSJRCYFHDCX-HNNXBMFYSA-N 443.460 0.857 50 20 ICGD COCc1ccccc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916425656 PPIUULIQFOEXDI-UHFFFAOYSA-N 448.549 0.990 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 917622758 WLFZEXRBMWIPNN-ZDUSSCGKSA-N 429.520 0.345 50 20 ICGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917716845 FHKZPPKNHLHZQJ-KRWDZBQOSA-N 435.458 0.481 50 20 ICGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(F)cc2Br)C1 920239007 SAZQWNABYRXEGY-JTQLQIEISA-N 437.291 0.956 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 920473679 USOCTETYNUYIMS-PIGZYNQJSA-N 425.536 0.503 50 20 ICGD CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1319025030 GNGLBIJARQYVAZ-UHFFFAOYSA-N 432.506 0.826 50 20 ICGD CC(=O)Nc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)ccn1 1778400190 KVUFRYCYOIOKGK-JXXFODFXSA-N 438.912 0.767 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3[nH]ncc13)CCO2 1779029967 CNFOFSWWPPBULN-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD CC1=CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779031954 HZHBFQFPGQIHAI-KSFYIVLOSA-N 427.505 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1779035778 OTEMJGOUUKUQES-HXUWFJFHSA-N 433.534 0.272 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779372623 OYCLPMFYUZGACN-IIBYNOLFSA-N 442.476 0.423 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(-n2nccn2)c1 1780239945 DHUFWXXGQCABDZ-PXNSSMCTSA-N 433.896 0.619 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)nn1C 1780430940 TVOLONXXFYSUOD-PXAZEXFGSA-N 429.315 0.903 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1782867523 PMQFSZVTXMQUEV-JUALLIRVSA-N 435.427 0.711 50 20 ICGD O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783023304 WEHHMSJTDYAPBX-OXQOHEQNSA-N 449.301 0.911 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCN(C)C4)CCO2)C1 1783881467 MQGFDOQPKSIBBF-UZLBHIALSA-N 439.944 0.416 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784935298 BHKNLPAMSDHBOP-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785503656 NHUKBWHAHXKIOW-GFIVRUSTSA-N 426.853 0.246 50 20 ICGD N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cc1 1789573105 NFIVVFSMPAPBEC-VDGAXYAQSA-N 448.483 0.464 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177637 VCXVFLBBYHFLPH-JHZZJYKESA-N 449.932 0.063 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21 1791288812 VXHDFIVQMDJZDS-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 1791292965 DHLOOQGNTZWWIE-UFYCRDLUSA-N 445.564 0.757 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791394928 BXGMXEVLUCJRAB-PAKFGRKTSA-N 432.304 0.127 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1792184037 BWYICQIEPOCSAP-RMEBNNNOSA-N 436.322 0.961 50 20 ICGD COc1ccc([C@@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796189717 QWZDTHIDALWRAL-RCLSDMTESA-N 438.289 0.360 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1C 1797752707 ABGWBKQQWOFEME-XEMDLRDOSA-N 437.500 0.819 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1800970306 BPIHYNDGRRRXAM-NPJQDHAYSA-N 445.944 0.839 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802654749 ORSGXIKTYLLOAU-WIYYLYMNSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C23CC(F)(C2)C3)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360577 TUJVIDDTGCUPBO-OMMZEQHOSA-N 437.280 0.973 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361555 RSAGMLBAOGJDCK-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)[C@@H](O)CCl)[C@@H]3c3cccnc3)CC2)CC1 1807927501 NWKZONUXTBXVGX-GBESFXJTSA-N 449.983 0.467 50 20 ICGD Cc1nccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1808764514 QMJOCBWPADJKDE-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 1813070237 FJQBCDFOMAHHOW-VGOFRKELSA-N 441.536 0.437 50 20 ICGD COC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071990 WYUHONNKUHEDQF-KKSFZXQISA-N 433.509 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cc3ccn(C)n3)sc2C1 1815553539 QRDPYZTYWLSHFL-LBPRGKRZSA-N 433.538 0.404 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(O)no1 1819873916 YXEBOQCBUPTZMO-CQSZACIVSA-N 425.210 0.403 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(O)nc3)sc2C1 1821488554 ABRCMPXIUDRPGO-LBPRGKRZSA-N 432.506 0.843 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378387 ICVNBVYUNPAWNO-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1 1828186577 XZRIOQZUWZMTTH-NEPJUHHUSA-N 444.517 0.794 50 20 ICGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830375975 HZNAKKJDEUHRPF-DOMZBBRYSA-N 447.305 0.848 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830738082 LLRIPMXKVXJTMS-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831387003 CTWVYVXQMLLJOP-IIDMSEBBSA-N 431.327 0.512 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1831651941 URPCVNWWTFCLKY-FCEWJHQRSA-N 433.933 0.001 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1831658571 XMRVPVCPCWDDHO-KYNGSXCRSA-N 434.917 0.466 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833246508 IIXREIXLZUHMDQ-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704925 ONVVRRSZQVYQIZ-ZDUSSCGKSA-N 443.390 0.181 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823273 LZBIDVRNCJSRPZ-PBHICJAKSA-N 444.330 0.156 50 20 ICGD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1834968841 PHNILDXBQUCCQX-LIRRHRJNSA-N 449.932 0.221 50 20 ICGD C[C@H]1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835506003 BJXGXZFRTRNYED-HTAPYJJXSA-N 441.381 0.988 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835847141 QBWQGEPQHYEYKB-BZNIZROVSA-N 447.355 0.969 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1835936857 GYIXIMBMSGEUPA-OAQYLSRUSA-N 448.300 0.109 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](Cl)CC)CC2)CC1 1836396657 FWUGSXICMFXWRI-WBVHZDCISA-N 432.949 0.640 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838845354 OWISYZBQJXZKPA-LJQANCHMSA-N 442.900 0.376 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203525 NPWMLJDWWCISMT-JKIFEVAISA-N 447.305 0.666 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839965605 FINKDDQXJGRRNM-PXAZEXFGSA-N 443.298 0.013 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840151250 YKGITOZPPDIUPZ-WFASDCNBSA-N 427.723 0.482 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1ccccc1 1840799844 RTXJATZALWQXSV-PXNSSMCTSA-N 441.887 0.797 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)CC2=O)c1 1841007565 MCYGEBKANSRDIK-WMLDXEAASA-N 435.908 0.851 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841286567 NENHTBVXYSTHST-ZDUSSCGKSA-N 436.372 0.646 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845167271 RIXZWRRIRPXOHE-HZSPNIEDSA-N 442.969 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1846385275 LBQGJGUSIKXHOO-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848344554 SLCRXJSFCFRTKZ-LCBPUBMQSA-N 426.433 0.035 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)COc1ccc(F)cc1 16205556 KSICQIKYPWRWRD-UHFFFAOYSA-N 440.453 0.025 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1OC 29149723 SSHAFDLQXSWPQX-UHFFFAOYSA-N 447.536 0.095 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C 212406087 FZUXADSRISOBKM-QUYZQLMHSA-N 438.550 0.998 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 728609202 SCQBAAURFSAUCF-SNVBAGLBSA-N 434.312 0.338 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728845463 IKRWEILSPYWLEH-UHFFFAOYSA-N 447.517 0.713 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(Br)s1 730569213 RJQPRMIPSLDNDE-UHFFFAOYSA-N 432.325 0.936 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733343270 STOJFPXTYSEJCP-UHFFFAOYSA-N 427.446 0.339 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 738448624 JVWWYBBTSQHQPK-UHFFFAOYSA-N 427.509 0.536 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742469843 JARDEHVDORSECL-IPZZXCBHSA-N 429.473 0.807 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H](C)CN2CCN(C)CC2)nc1 745860589 XQGBMKXJPUIKDU-MRXNPFEDSA-N 441.602 0.622 50 20 ICGD Cn1cccc1C(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 747598579 BTEIYPINMRMWGQ-UHFFFAOYSA-N 437.201 0.680 50 20 ICGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1(C)C 753558275 QQDHTCFKHXQRLT-HZPDHXFCSA-N 440.522 0.465 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1N1CCCS1(=O)=O 756705686 NQQVWRMOQNIIRG-GFCCVEGCSA-N 430.508 0.122 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Nc1cnn(CCN2CCOCC2)c1 756827457 UVEYSSGNPRCSBK-UHFFFAOYSA-N 433.425 0.355 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N(CCO)CCN2CCOCC2)N(C)c2ccccc21 757104214 GNSSRVYFJNDHSN-UHFFFAOYSA-N 441.532 0.810 50 20 ICGD CCc1nn(C)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757896433 QXPVUIMWGGLUFK-UHFFFAOYSA-N 436.494 0.470 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cn1 763685399 BNCUTYDITRICOT-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1 763732571 GBLRISPPGQUIJP-UHFFFAOYSA-N 443.485 0.883 50 20 ICGD N#CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763814302 NBNYIDZCFQWDNF-UHFFFAOYSA-N 429.458 0.350 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763862606 YPEIZAPBXCTGTI-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763880834 JEVWDKVOIDDEBX-UHFFFAOYSA-N 448.505 0.093 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c(OC)c(OC)c1 763892649 GVQLVFBUCOREBC-UHFFFAOYSA-N 433.421 0.090 50 20 ICGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763917534 WGIBETNGJAAIBN-UHFFFAOYSA-N 439.432 0.396 50 20 ICGD Cn1ccnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763917560 XOCOMKWTCGOZBL-UHFFFAOYSA-N 431.416 0.463 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 764275486 MJTTUFURCFJSDJ-UHFFFAOYSA-N 427.417 0.082 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c(=O)n(-c2ccccc2)n1C 764365813 CPJMXJMNTUSTTB-UHFFFAOYSA-N 437.456 0.787 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765619982 UMZJQOPTQMJZGN-JOCBIADPSA-N 441.419 0.529 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 766645903 DOCZIPXMSJWYQG-LJQANCHMSA-N 441.532 0.240 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)n(C)c1=O 767302422 QWZQRYYHZFPSLC-UHFFFAOYSA-N 447.908 0.620 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 767850511 LHKGGFASIADYNN-UHFFFAOYSA-N 431.286 0.055 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 771974451 LZKGJZPNILOZSM-NSHDSACASA-N 429.495 0.875 50 20 ICGD O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cnn(CCN2CCOCC2)c1 783291581 RJDAXWMHRAVZAX-UHFFFAOYSA-N 437.844 0.859 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCS(=O)(=O)C1 783425999 KZCADFRQJJQYCH-SRGMZFCMSA-N 427.426 0.451 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cccc1C(=O)N1CCCC1 784004727 QWMKGWKWKVWRBR-UHFFFAOYSA-N 441.444 0.340 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784229478 DRIGPCGKPOLTRA-UHFFFAOYSA-N 448.505 0.108 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ncc(F)cn2)ccc1F 784949537 MFVGMOCEJCGQBG-UHFFFAOYSA-N 428.421 0.913 50 20 ICGD O=C(CCc1nc(-c2ncccn2)no1)NNC(=O)CNC(=O)OCc1ccccc1 794072364 WELDKPVTKDRUKN-UHFFFAOYSA-N 425.405 0.533 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 796569814 YDFISFCJQVZVHZ-UHFFFAOYSA-N 445.925 0.543 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 807235981 VEAOXSKCGHJUHH-ZSEKCTLFSA-N 447.492 0.793 50 20 ICGD O=C(NC[C@H]1CCCSC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807595604 WMFMXUMXYUFTDA-CQSZACIVSA-N 442.563 0.795 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 810387462 XEOGXHOXFAICGY-UHFFFAOYSA-N 433.396 0.495 50 20 ICGD COC(=O)c1cc(Br)cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 812533321 ANLAOHLRJIYKSB-UHFFFAOYSA-N 435.234 0.822 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 818515117 GCTLSSRVXPRCHB-IBGZPJMESA-N 429.364 0.962 50 20 ICGD COc1ccc(C(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)cc1 912888039 FBMZBBNKWKVQDQ-UHFFFAOYSA-N 431.518 0.608 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H](CN1CCOCC1)c1ccccc1 914598269 VHHIFYMPPWDPKS-IBGZPJMESA-N 436.476 0.680 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(CCN(C)C)CC2)c2ccccc2c1=O 916382633 MGBHUHPKPBNVEH-UHFFFAOYSA-N 429.525 0.386 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC2CCN(CCN(C)C)CC2)c2ccccc2c1=O 916382849 SACMQSPBLXZLLL-UHFFFAOYSA-N 443.552 0.947 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 1357620778 QCOLDKAEDUCJCH-GFCCVEGCSA-N 425.438 0.325 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1779035913 QJDUWJDZTNJCHC-WBMJQRKESA-N 435.388 0.331 50 20 ICGD CCc1noc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779638500 KQQVPYMKBCOOFX-NRFANRHFSA-N 442.476 0.301 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)c1 1780863406 MTLUZCKGQFOHPO-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331741 VHQLTECSIZIZQJ-ZBEGNZNMSA-N 442.245 0.569 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424414 GKQMFFLXQGHEQM-JUALLIRVSA-N 442.426 0.993 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781780336 UEHOIDSTIJMOBI-UHQDVWGKSA-N 430.343 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1782172896 PXXDNAFPRYUOQD-AEDCBLDQSA-N 428.873 0.269 50 20 ICGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782867511 PFVUUYFVURTGGT-XTVULVGKSA-N 432.427 0.836 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nccc(OC)c3OC)CCO2)C1 1783880521 CSGFXOWYFQBWAP-BFUOFWGJSA-N 427.885 0.796 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1783881911 NYSILFQYPOYWRY-SJKOYZFVSA-N 425.898 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccccc3n1)CCO2 1783934794 MFRSGKHYEKBTST-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783992483 UTFMINKEZLQWRS-JTSKRJEESA-N 447.536 0.197 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1784067959 GUURWCXJICNYTK-RECVGTBJSA-N 439.875 0.875 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643807 YRJAJTZPJVYDQH-ASHKBJFXSA-N 426.857 0.022 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1787506828 PNNXWNMOELPMAZ-XUFZZIBESA-N 429.477 0.079 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccno3)C[C@@H]21 1787508877 NNIQOMXCGOXVHH-JHUKZBBPSA-N 428.449 0.402 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286846 MIOFEKQZQMZZEF-QPSCCSFWSA-N 447.374 0.370 50 20 ICGD COc1cc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791942902 QSMDVFQDCMOUCI-QRFRQXIXSA-N 446.548 0.970 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792124289 SWFCUOXOSVXCRA-GVRJEKJASA-N 447.960 0.869 50 20 ICGD CC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1793379054 SARWCYBMOZESAD-RDGPPVDQSA-N 429.326 0.169 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189683 OSDXAPVACWTAEW-KQLYMOGASA-N 436.321 0.623 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C)n1)C2 1796441320 YHKRVYKTRFGVJE-SNOXVSQISA-N 441.492 0.066 50 20 ICGD Cc1ccn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c2c1 1796706093 NMUFHVJFXNOGGW-REPLKXPHSA-N 432.289 0.888 50 20 ICGD Cc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797752783 HJVLUJHAYYWSFE-XEMDLRDOSA-N 437.500 0.819 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2 1797753195 WUSDQONBSNOKIX-IVWMJMPLSA-N 443.435 0.047 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc(Br)ccc1O 1798837497 BYJZPWDMGAUXGW-OWLDWWDNSA-N 447.713 0.958 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@H]21 1800251441 QOSQQPPMHMKPPO-ZKEVIYKZSA-N 443.529 0.585 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1800975876 WUPCUCXAZTUEHN-ZWUHOBOKSA-N 425.869 0.310 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccncc13)C2 1801012684 GBGVCWZWGDYCJZ-FAQVEIGNSA-N 439.516 0.811 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(F)c1 1801012694 VVIHKVAKIMEODQ-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801762213 AXDJCTBHACOUPO-BWKKGPAXSA-N 447.300 0.510 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1csnn1 1803748759 OLWAJXUNSWQFNT-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806853688 XHHPZGYCXCAQAG-VXGBXAGGSA-N 429.315 0.599 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369269 DIVWEABUEYKNRN-UWJYYQICSA-N 448.263 0.929 50 20 ICGD COc1nccnc1C(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1807585851 LLHMRCWAIWAXRB-UHFFFAOYSA-N 432.525 0.703 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815328686 ZEWXLSFDHIYWNS-KGFZYKRKSA-N 425.833 0.634 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cnsn1 1816166719 OFXLVHDYVZFARI-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C)C(=O)C(=O)O)n[nH]1 1821716674 QBRRSTDYQJEYOE-JQWIXIFHSA-N 429.861 0.199 50 20 ICGD CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823003620 MZTUHCNBUSZJDG-QUBYGPBYSA-N 428.305 0.790 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826856659 RTFIGVSRVLYTRB-FQEVSTJZSA-N 429.370 0.988 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056066 RJMRORDIFHZCCR-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1830537350 DOXQACYKBHZKJH-APWZRJJASA-N 446.386 0.960 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724622 ADJGJPRGOYUXGF-SIKLNZKXSA-N 447.919 0.833 50 20 ICGD N[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1cccnc1 1833310764 RDOUWQSTGHSELX-RTBURBONSA-N 437.972 0.643 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834022449 VGXDXPABBPVWTI-CXAGYDPISA-N 427.299 0.578 50 20 ICGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1835240141 NRAHKZVHYPEIQM-PBHICJAKSA-N 437.331 0.137 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835652617 OADNAPLTEZQROK-HZPDHXFCSA-N 441.381 0.696 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835702472 ZTCRBBFUVBCHGI-SFHVURJKSA-N 432.352 0.670 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1837718015 WWJWNLFNEQEBIS-KRWDZBQOSA-N 434.587 0.112 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1838045429 ZKTYEEYEPBCAOK-WMLDXEAASA-N 447.305 0.743 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838513585 YKNOCAAFSUUBSL-MRXNPFEDSA-N 446.316 0.960 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1839155416 SYAAUIMPSMYDPI-IAGOWNOFSA-N 437.320 0.632 50 20 ICGD Cc1cccc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839370068 NATKYBXYFYHNJA-HSZRJFAPSA-N 446.548 0.746 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1839762225 CURXDEGTEPUMNP-DYVFJYSZSA-N 447.326 0.570 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839965607 FINKDDQXJGRRNM-SJKOYZFVSA-N 443.298 0.013 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840156747 YSYSKWMNPTWJKT-LPHOPBHVSA-N 428.917 0.374 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccon2)C1)NC(=O)NCc1ccccc1 1842540032 XNCPCGJVBIPKDH-UHFFFAOYSA-N 426.477 0.838 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2sc3nccnc3c2N)C1 1842992326 WYDMSKGZERKCKB-UHFFFAOYSA-N 431.522 0.464 50 20 ICGD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1C(F)(F)F 1843010555 BTZKKLAFSMESEX-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD C[C@H](CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)NC(=O)OC(C)(C)C 1843378653 PWIKQFYNCFYDJA-OAHLLOKOSA-N 445.325 0.487 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)[C@H](O)CCl)C2 1847563747 PITWKYFNRQSKTL-RZLSGREXSA-N 438.912 0.424 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 16594133 XWPGOZGAHPGRNX-UHFFFAOYSA-N 432.502 0.745 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 726714131 DJPRHCGYZZADQB-UHFFFAOYSA-N 434.456 0.462 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474926 ZKQVXCGOYMSKFE-HNNXBMFYSA-N 432.474 0.023 50 20 ICGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733110969 ZBCLMOTURQXJDH-HNNXBMFYSA-N 425.536 0.694 50 20 ICGD CN(C)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 741175055 DJQGNFMSGWQJRZ-AWEZNQCLSA-N 446.547 0.504 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCN(CC(F)(F)F)CC1 742770549 QRGCVXXHBODIDM-UHFFFAOYSA-N 436.460 0.950 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744793310 NACUOOGTAFLFOG-INIZCTEOSA-N 425.507 0.894 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1OC 746092391 MDJWSNNCDOIDNM-AWEZNQCLSA-N 429.433 0.655 50 20 ICGD Cc1cc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c2ccccc2n1 749352147 GIAWUXGRBIALRW-UHFFFAOYSA-N 434.522 0.064 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)o1 751369163 IREAZWKRQGJZHA-UHFFFAOYSA-N 428.492 0.694 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cc2)C[C@@H](C)O1 755424518 VDPYNASCZBXDPR-BETUJISGSA-N 436.494 0.603 50 20 ICGD COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 756500369 HIRPUPGNTRIWQM-ZBFHGGJFSA-N 436.509 0.328 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 758045623 DRDBIFCKZALQQV-VIFPVBQESA-N 445.548 0.013 50 20 ICGD O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NNC(=O)C(=O)Nc1ccccn1 759360935 HPDUREVHUQZDBY-KRWDZBQOSA-N 426.477 0.642 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cn1C 760508508 CUBBYTAVAXQODV-UHFFFAOYSA-N 441.462 0.851 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 763467568 UKBMAHODLNYAAX-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 763803371 HDYSEJXSSCFOEG-UHFFFAOYSA-N 428.357 0.725 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 763821057 RZDNTIMMLLRVKF-UHFFFAOYSA-N 445.501 0.447 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 764124050 AUWJOVLQZUWFME-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 764343289 NXRBEPPDRZODDW-UHFFFAOYSA-N 437.503 0.119 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c2ccccc2c1=O 764375749 PRHCEOWMQWBQPJ-IAGOWNOFSA-N 428.493 0.521 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 764398375 GKPYOYADFWRJLD-LSDHHAIUSA-N 434.493 0.839 50 20 ICGD O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 766639566 FDIMQQRTSSEHCA-CYBMUJFWSA-N 425.463 0.328 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cc1ccc(S(N)(=O)=O)s1 767280723 PDXNRUVPKNUVAW-UHFFFAOYSA-N 425.488 0.180 50 20 ICGD Cc1sc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1[N+](=O)[O-] 767436871 AJWPWHMQNMOSSL-UHFFFAOYSA-N 433.493 0.881 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNc2nc(O)c3cnn(C)c3n2)N2CCOCC2)cc1 770337397 WBDAAGNGZQDVHJ-MRXNPFEDSA-N 442.480 0.777 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNc3nc(O)c4cnn(C)c4n3)cc2)CC1 770341358 MAWAQZJSZVJOQA-UHFFFAOYSA-N 439.480 0.283 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 770392089 RVGRTGLJSDARQZ-QFIPXVFZSA-N 438.440 0.994 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 772889652 RRUOWTMSAYUKRB-AWEZNQCLSA-N 429.864 0.547 50 20 ICGD CC(C)(C)NC(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 773273506 OGFDXQSMNUWHQF-UHFFFAOYSA-N 432.529 0.560 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)NC(C)C)ccc1I 778563775 PQEVKCOBZMWWKP-UHFFFAOYSA-N 441.247 0.979 50 20 ICGD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782968083 XJTITZPVPOYXBA-UHFFFAOYSA-N 429.477 0.422 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1cccc(O)c1 785691521 ITYSBMACYKAJEH-UHFFFAOYSA-N 435.820 0.788 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(Br)c(F)cc1F 786425245 DBJZZXZKAPZHPX-UHFFFAOYSA-N 445.176 0.836 50 20 ICGD C/C=C(/CC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 789740903 GSRNJSDOTZSDIK-XRVIQIRUSA-N 438.488 0.932 50 20 ICGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 799325844 NBDZQVRBHDXTII-GFCCVEGCSA-N 426.564 0.863 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 800053613 INDOMZFUDZDSPX-CHWSQXEVSA-N 435.547 0.340 50 20 ICGD COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)cn1 802569795 DLTBTKVNBREGBI-UHFFFAOYSA-N 425.445 0.774 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1OC 805574665 WMXNNXNEWYAEDI-UHFFFAOYSA-N 436.808 0.469 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 809933291 ZQRVEJRFPGIDRO-INIZCTEOSA-N 439.476 0.191 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)[C@@H]3CCS(=O)(=O)C3)o2)cc1 812455623 NTOZAFFKXQOYPR-CYBMUJFWSA-N 425.488 0.740 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3C)cn2)CC1 815566802 FZPYCNJUBQLJMS-UHFFFAOYSA-N 440.460 0.678 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1C 815778915 JYMVUAYCCAVFJO-CQSZACIVSA-N 426.495 0.290 50 20 ICGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2N1 815934407 ZYBYBIGUNALCBH-UHFFFAOYSA-N 429.820 0.099 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](B(O)O)C3)CC2)cc1 864230912 GRFGDLHQOITSOD-MRXNPFEDSA-N 438.311 0.339 50 20 ICGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CC[C@@H](B(O)O)C1)n2CC(C)C 864233077 FOBBSVBPZPJWBK-CQSZACIVSA-N 433.318 0.763 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1C 913580686 MPMOCZSVAZOGKM-UHFFFAOYSA-N 429.458 0.692 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 914752444 VKSYHBDNFPQLJA-GOSISDBHSA-N 433.472 0.905 50 20 ICGD O=C(CSc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829822 XMPYTFXEEHQGNJ-YPMHNXCESA-N 445.950 0.615 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)nc1 917747006 MQVMKVGNFXILOQ-UHFFFAOYSA-N 430.895 0.799 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 920435700 MTYWETBZMFPKLV-ZDUSSCGKSA-N 438.431 0.910 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)c1cc2n(n1)CCCNC2=O 1778915956 HJIKLQBNTNXMQZ-ZRGWGRIASA-N 441.891 0.679 50 20 ICGD CCOc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783390618 FWHOBDXAXFGOEL-SZMVWBNQSA-N 447.536 0.447 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784219580 KWABLHIZQSDZML-YJRKBHOFSA-N 427.841 0.780 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1CC(=O)N(C2CCCC2)C1 1784965898 YZCHHYHHOPKSCW-YFUQURRKSA-N 441.956 0.357 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785357821 HHBZUYHMFJQQSJ-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785860827 IWNQMJOBKBKEKG-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1)n1cnnn1 1789523746 UHOBHXFYRKLIIL-ZDUSSCGKSA-N 449.475 0.681 50 20 ICGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)C(F)(F)F 1789921510 NCBBZHZEGDBFGG-GUQUVYQDSA-N 435.212 0.970 50 20 ICGD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791289030 CPYXRIXJSZSZII-IHPCNDPISA-N 446.548 0.590 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccnc2c1)c1ccc(B(O)O)cc1 1797588273 XLYNGEIQZWCFFN-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1797956903 LYGKRTHINMXKFH-HGKCTWBKSA-N 431.565 0.985 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1F)C2)NC(=O)NCc1ccccc1 1799097511 NSQKHUCKQLSUNM-STEXWYFWSA-N 447.511 0.280 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC=O)C2 1799220657 OTOVNQNYCDXCRC-MHEUCROKSA-N 432.433 0.906 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1800186888 STAAVOYLRPGNLY-OPDFLTKYSA-N 435.388 0.234 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801460414 OXOFWAULVAVLCE-KOFHJDLBSA-N 426.311 0.950 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803678468 KUWURNUISXRPIE-CVAIRZPRSA-N 425.294 0.364 50 20 ICGD O=C(Cc1cncnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804647639 HZYUZVHAFVRMOT-KNQAVFIVSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccnn2C)[C@@H]1c1cccnc1 1805723821 JBHNLUHTDAYRCT-UZLBHIALSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1CCOCC1 1806696544 BWVWDVDAYVWFNY-CTNGQTDRSA-N 437.305 0.508 50 20 ICGD COc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)nn1C 1809971269 PRASATZQTWLFRZ-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ccon2)[C@H]1c1cccnc1 1810299078 NJYJXPCIUKTNBR-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD CC[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1812776482 KOEKBHSVEURQJL-IJEWVQPXSA-N 436.314 0.948 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410663 NTHIOUTYDPMYDS-MRXNPFEDSA-N 435.529 0.643 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1 1822417066 XNNHFQLEBKKTLK-INIZCTEOSA-N 447.540 0.787 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)sc2C1)c1ccc(B(O)O)cc1 1824651571 VCMPNFNWYQMUEI-GFOFROLCSA-N 441.343 0.924 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)CC1 1825283421 HEXGGKCFADNARJ-LLVKDONJSA-N 437.522 0.381 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cs1 1826963607 GZOMZLGJAOBWPD-GOSISDBHSA-N 442.350 0.952 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827056303 VOLDGIRBSSOFMB-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD Cc1nn(C)c(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1F 1833308163 KQNXVLMJGDKTFI-OAHLLOKOSA-N 429.924 0.653 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(C)C 1833310354 RHLPHEXLHDMBPA-ROUUACIJSA-N 431.961 0.745 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798406 RPYHFXVONFIISF-KRWDZBQOSA-N 445.369 0.365 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100933 BGCJXWGLHYDTEH-AWEZNQCLSA-N 442.904 0.757 50 20 ICGD O=C(CN1CCCCC1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836719594 ZVSVIJMROWGNQC-QGZVFWFLSA-N 429.945 0.597 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839197964 NWSUJLXSCHOPSB-BBRMVZONSA-N 431.262 0.546 50 20 ICGD O=C(COc1cccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203594 PPVGNOQNBFLOOW-ZBFHGGJFSA-N 447.261 0.002 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1ccnn1 1839710214 GTHDAXSFYOEBCT-XOKHGSTOSA-N 434.324 0.532 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840035590 WNNJJQKRMKQAPJ-ZENOOKHLSA-N 430.303 0.079 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840149111 DTKQBYQETVNWDZ-GUYCJALGSA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840153120 DZRCDTCJLVIDAD-YRISNDGFSA-N 438.908 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840153874 DJAKZSVDGMLCAZ-OXJNMPFZSA-N 425.913 0.827 50 20 ICGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)[nH]c1C 1840186224 HFQNHTKZQOHHID-KRWDZBQOSA-N 433.292 0.260 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840431673 OJNLGVGOTZQOEQ-FXAWDEMLSA-N 438.601 0.827 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841764361 CVUSUQWAKVYAEF-KRWDZBQOSA-N 443.309 0.193 50 20 ICGD COc1cc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n(C)n1 1842202931 AUPAHNBVRHRKET-LPYMAVHISA-N 427.465 0.380 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ncccn2)C1)NC(=O)NCc1ccccc1 1842482210 XARDUZOTLBSRJB-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845215800 FRIPIRFKRVKWSD-WDEREUQCSA-N 438.294 0.766 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccccc2)C1 1846958357 OQSBQJQHEOFZLX-UHFFFAOYSA-N 429.521 0.383 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1)NC(=O)NCc1ccccc1 1847924630 JKGOSSRTXIDRNS-IRXDYDNUSA-N 426.477 0.836 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 22695366 UFLBBKSPJMITJT-HNNXBMFYSA-N 433.486 0.936 50 20 ICGD Nc1nc(CN2CCN(CC(=O)NNC(=O)c3cccs3)CC2)nc2ccccc12 22818764 KOCJHTRSLKQNAP-UHFFFAOYSA-N 425.518 0.852 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 23365157 HROYEZLFXRKCFO-UHFFFAOYSA-N 448.524 0.537 50 20 ICGD Cc1nnc(NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)nc1O 24505076 BSDPSGAPWWNCPD-NSHDSACASA-N 442.885 0.753 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)cc1OC 58032930 AUWLGERGPMWUMN-ZDUSSCGKSA-N 429.429 0.827 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 725872004 ABAVEOQUSNWZDK-LLVKDONJSA-N 439.519 0.941 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728179535 QIKABBPSMWOCFF-CYBMUJFWSA-N 425.536 0.735 50 20 ICGD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728341482 ZBFIIWRFYSAWGX-YOEHRIQHSA-N 447.488 0.944 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(F)cc1Br 735462017 LIUQTPBMXYUWEC-UHFFFAOYSA-N 435.231 0.732 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 741092948 LBOGTAWDYVSFED-KGLIPLIRSA-N 446.551 0.237 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 744565441 JFMJDKJLAPZTGL-VBNZEHGJSA-N 426.429 0.426 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NCc2nnnn2C2CC2)c2ccccc2c1=O 745909906 HAKVMGDBNQKRHR-UHFFFAOYSA-N 425.453 0.662 50 20 ICGD Cc1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)nc2nc(O)nc(O)c12 746200295 HCYZVNYMELWMEH-UHFFFAOYSA-N 430.446 0.942 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CCC[C@]1(C)NC(=O)NC1=O 748603445 YRZLXTDWGHLEMK-SFHVURJKSA-N 425.511 0.975 50 20 ICGD O=C(NNC(=O)c1cnccn1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 755456454 WEQOJXCBQSGNMF-UHFFFAOYSA-N 427.465 0.616 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 757917450 IIFMKBMDCNQPCC-ZETCQYMHSA-N 428.439 0.118 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCc3c[nH]nc3C2)c1 758905774 KPYMNMDERGJJMP-OAHLLOKOSA-N 434.522 0.942 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572327 QOPYYYBAGCLDHT-KRWDZBQOSA-N 431.401 0.638 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccn(-c2ncccc2F)n1 763579556 YEMHFTQERMUGLO-CQSZACIVSA-N 426.364 0.332 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1OCC(N)=O 763679203 IRYAYWBHJGVASL-UHFFFAOYSA-N 444.444 0.341 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)n1 763882617 VLOVFAJKXWOCJG-UHFFFAOYSA-N 440.460 0.325 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 764320520 ZQMIGSGAXARUET-UHFFFAOYSA-N 426.495 0.292 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764359988 RHGNJSKCOLNKSI-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@@H]1CCCO1 765119926 VGUWNMDXKRFFLP-KRWDZBQOSA-N 430.958 0.587 50 20 ICGD Cc1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 765633623 BKPQOQYFDCYMGP-VIFPVBQESA-N 426.314 0.437 50 20 ICGD O=C(COCCOc1ccccc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766640871 GUJMTBVZAAXWQS-UHFFFAOYSA-N 440.500 0.687 50 20 ICGD Nc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 766641532 HBGALPRJBGKYIN-UHFFFAOYSA-N 426.433 0.396 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)nc21 770979802 KQEAYZYCCQXQNN-QWHCGFSZSA-N 431.453 0.494 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1cccc(S(C)(=O)=O)c1 776540597 YGQUPGHGBWJAMI-NSHDSACASA-N 429.524 0.251 50 20 ICGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 777941032 YBRJSJCEIRBZKK-OAHLLOKOSA-N 429.974 0.665 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 778433484 MMTSUWXQYSFKEX-ZIAGYGMSSA-N 440.497 0.641 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)cn1 779146409 YEFXTFQIRNMARJ-UHFFFAOYSA-N 433.244 0.512 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1OC 779461548 KRNUUUOSZVBIHL-CYBMUJFWSA-N 437.478 0.536 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 781021590 RJEZRRVUZWMCRO-FQEVSTJZSA-N 436.465 0.744 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc(C#N)n1C 782624153 HNTNRBWZIWEFAD-PFIJZOJMSA-N 432.502 0.983 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782884571 CGEOZURIFUTTSG-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C[C@H](C)O1 784000245 SBIXXFJPCUNALZ-GJZGRUSLSA-N 431.493 0.004 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNc2c(F)cc(F)cc2Br)cn1 785011261 VSGNTBYUANCEEC-UHFFFAOYSA-N 431.197 0.752 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785061360 WTFYKLGQLVZQQQ-UHFFFAOYSA-N 425.401 0.458 50 20 ICGD O=C(COC(=O)CC1CCC2(CC1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1 788168363 FZKPKJNMNFYNBX-QGZVFWFLSA-N 434.445 0.840 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cnn(CCO)c2-c2ccccc2)c2ccccc2c1=O 792810487 IMEMBOCHDDXTQT-UHFFFAOYSA-N 432.440 0.864 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c2ccccc2c1=O 794774886 IMTNYELUMFEXKD-CQSZACIVSA-N 426.454 0.656 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 795181453 LROFSDAXGFEDBZ-UHFFFAOYSA-N 426.520 0.660 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1C(=O)O 795283878 NFQXBSJGNZKQAQ-UHFFFAOYSA-N 426.476 0.610 50 20 ICGD Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369500 WCMUQEUEELCCFJ-OAHLLOKOSA-N 444.448 0.284 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797626363 VVWHYOMDXAINDG-UHFFFAOYSA-N 439.425 0.552 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 799835540 RINOGBFFOAFLDY-UHFFFAOYSA-N 447.517 0.797 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc2c1OCO2 800830619 DLXUASJDSIEARJ-UHFFFAOYSA-N 426.476 0.640 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 801109377 LCHQRIPJKHPQBG-IBGZPJMESA-N 449.467 0.557 50 20 ICGD COc1cccc(C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1O 806568723 XHPKXDRZBGDKAN-JTQLQIEISA-N 428.389 0.167 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 808321905 VORNIKKUUHCWGY-ZDUSSCGKSA-N 441.510 0.305 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812945078 RNHBTRYUMTWZIZ-UHFFFAOYSA-N 427.508 0.994 50 20 ICGD CNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 819681554 YXAQOOYUDAECKB-GQEMFKIVSA-N 435.550 0.799 50 20 ICGD COC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 913176838 AHNREPFOYDLPPX-VIFPVBQESA-N 436.284 0.907 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)CN1CCCC1=O 915299637 UDIBEOBDJCEKAK-HXUWFJFHSA-N 446.529 0.913 50 20 ICGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1 1320811427 YEEQXWPMDAYTQE-UHFFFAOYSA-N 448.320 0.981 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cncn2)nc1 1322178633 MPJYHMIHTDKEHC-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 1342420402 FHOUGEAHNBGPCL-ZETCQYMHSA-N 428.692 0.566 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)[C@H]1SC(=N)NC1=O 1778083392 YVTPTIKULAOWKP-INABMFAFSA-N 434.921 0.837 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779299736 COBSASQOLDYJJE-KRWDZBQOSA-N 445.639 0.528 50 20 ICGD O=C(c1cnn2ccncc12)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329406 FMWHJYPQPWSRHF-BBRMVZONSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781607266 BFLBNZLCKLDWMW-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1783666898 NRNDEFKNQJTPCQ-LPHOPBHVSA-N 436.933 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1783937354 GRTIHONAICMNIR-CVDCTZTESA-N 428.533 0.919 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944102 NKPITBZVZCZEHM-YTFOTSKYSA-N 430.343 0.760 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791057125 DAJJSZMALBOWTF-WDCWCFNPSA-N 429.271 0.265 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1791057453 DDEDBXWLTKNRNB-YOPIWALVSA-N 425.327 0.845 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21 1791290879 BLDNBBHYYZNBGB-YDHLFZDLSA-N 442.467 0.245 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543633 IBGLTGPHNOAPMC-MWTISTBLSA-N 439.944 0.454 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2 1796441324 YTHJWYILYFPDPL-UOEJNGGWSA-N 430.490 0.480 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccncc1 1799109400 XKTCUSITZKXOOI-RUUUSXTRSA-N 438.488 0.348 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)no1 1800759599 XOKTXJPIOSOAEL-MCYUEQNJSA-N 443.298 0.086 50 20 ICGD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC=CCC1 1801540026 YRZGCOHLASXUPX-WHZNHKCRSA-N 427.505 0.635 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)c2n1 1802336575 MZKWWZPWFHCTNV-BJWYYQGGSA-N 441.536 0.971 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C(=O)C2CC2)[C@@H]1c1cccnc1 1803061715 ZEHQFOHSSJKCJI-QAPCUYQASA-N 436.472 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805270497 KVNVHWJYSHLMPA-FOIQADDNSA-N 441.492 0.270 50 20 ICGD Cc1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1805553186 UJPQCGNCMQUAHS-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD O=C1CN(CC(=O)N2CCC3(CCCN(C(=O)CCBr)C3)CC2)C(=O)N1 1809066622 QVGNHMRNFOUMJP-UHFFFAOYSA-N 429.315 0.554 50 20 ICGD Cc1nccn1CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359970 HDDKMZAITUJPSR-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471781 MTVNKXKGDMNMDI-UGSOOPFHSA-N 441.297 0.262 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1 1819403210 YTXIYCIIIYJDQR-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)nn1 1822414732 LADPTRUFZLVIGU-OAHLLOKOSA-N 444.496 0.887 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cncn1 1826797079 DPSWVDPZTSFSDB-NEPJUHHUSA-N 434.526 0.281 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008992 JRNKHZDYGNSAOR-XLIONFOSSA-N 431.961 0.429 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722591 FFVPRWGDPOAVGM-VQIMIIECSA-N 431.316 0.939 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831439205 ZPTDIFNDGGKARH-GOSISDBHSA-N 436.958 0.614 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833202984 GRKWCJXPFVKRRI-VKJFTORMSA-N 443.342 0.759 50 20 ICGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833522557 TUHXOCUORVVGNM-NHYWBVRUSA-N 435.338 0.760 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)o1 1833899838 WLJIXMBXFDABHS-QGZVFWFLSA-N 445.314 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836183896 MCELJCYTTAOFDK-FXAWDEMLSA-N 425.913 0.724 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838069343 KZNYASLTGVKOEW-CVEARBPZSA-N 432.949 0.686 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839145387 GGJPZXNVKYXFMB-IFXJQAMLSA-N 442.900 0.187 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152419 YRMDQMBOBFSFRM-QZTJIDSGSA-N 438.352 0.451 50 20 ICGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198772 ATXINLPUSPIBIY-ZFWWWQNUSA-N 436.303 0.833 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533403 KEKCYMYKOPFJRA-UGSOOPFHSA-N 441.326 0.683 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561961 BOUIUXUWEMEEBL-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840154988 MBKKLPRVRZICBI-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1840183087 ZZXIHUZYQMSKRO-NRFANRHFSA-N 436.509 0.042 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1844264173 PBKOCLKXIRRRIE-IBGZPJMESA-N 434.500 0.217 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846152932 XRMKMPNNOZSBSL-KOSHJBKYSA-N 445.284 0.093 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 28752135 IAIIQTGRYFFNGH-ZDUSSCGKSA-N 437.928 0.394 50 20 ICGD O=C(Cn1cnnn1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 725896273 AAKKUNWNTNQVLP-UHFFFAOYSA-N 435.853 0.589 50 20 ICGD O=C(NCCS(=O)(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728959296 JQHVARMKSXZZJF-UHFFFAOYSA-N 432.506 0.497 50 20 ICGD CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 732407654 FVVKHUVZMBXYDJ-WAYWQWQTSA-N 427.373 0.367 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732959323 VUYNJGZSMVEZSF-CQSZACIVSA-N 429.455 0.115 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)c1 735630369 KJVRDUBPBCBWJT-UHFFFAOYSA-N 440.456 0.804 50 20 ICGD CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 735836932 BOSWZEDJVGIQFF-HNNXBMFYSA-N 430.486 0.711 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)c2ccccc2c1=O 740738241 AMNOIDBBYKMAEX-UHFFFAOYSA-N 449.427 0.939 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c[nH]1 743251892 YIHRRPFUTPQTHU-UHFFFAOYSA-N 429.480 0.026 50 20 ICGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 743255644 MAXCGJUMPZVEID-UHFFFAOYSA-N 430.851 0.576 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c2ccccc2c1=O 744877971 MERMHMYKEQWQBM-KRWDZBQOSA-N 434.456 0.679 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CSc2ccc(S(N)(=O)=O)cc2)cc1 744892467 NLWWUKKBUBJXAD-UHFFFAOYSA-N 448.482 0.302 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 748464600 GSWYCBRACXINMJ-UHFFFAOYSA-N 440.504 0.838 50 20 ICGD O=C(CNC(=O)c1cccs1)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 750944431 ZECMYNMPKRKNAX-UHFFFAOYSA-N 440.485 0.473 50 20 ICGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751280165 PLIJFZNATWBQJE-UHFFFAOYSA-N 427.460 0.039 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)CNC(=O)c3cccs3)C2)nc1 753279351 KDBQTUQQSGUZPH-UHFFFAOYSA-N 446.489 0.269 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)COc2ccc(F)cc2)cc1 755863442 KEXCHRYRNONENG-UHFFFAOYSA-N 432.408 0.889 50 20 ICGD COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756259453 XVBOXMIWHOYSKM-LLVKDONJSA-N 427.483 0.022 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 756964759 ICXTYRJOGSRCKI-RYUDHWBXSA-N 435.506 0.372 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Sc2ccccc2Cl)nn1 758034509 GKLKFZXBUIVWOF-SECBINFHSA-N 429.911 0.980 50 20 ICGD CN1CC(=O)N(CCCC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 758788497 ZJDIKIYASVQIBX-UHFFFAOYSA-N 440.501 0.296 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc2)C[C@@H](C)O1 761064393 XZRWHLVVTMZBEY-BETUJISGSA-N 440.522 0.617 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 763660417 CSOVGUCUNUJCDH-UHFFFAOYSA-N 435.400 0.312 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c2ccccc2O1 763753565 HSOYEOHIJCIDQC-KRWDZBQOSA-N 426.429 0.481 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cc1 763896401 MHONTFQYYUXPHC-UHFFFAOYSA-N 426.458 0.848 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1C 763995064 LFWVYUORABNUHZ-UHFFFAOYSA-N 426.227 0.692 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c(O)c1 764105315 PWCJCRQMGFRQMS-UHFFFAOYSA-N 446.485 0.849 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 764401886 YWTIGPMWNLFLHQ-CQSZACIVSA-N 428.449 0.498 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 765124941 CNCUFWBOEZFXEK-UHFFFAOYSA-N 445.545 0.221 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)OC 765366509 OKORBYKZLFZLSW-UHFFFAOYSA-N 428.467 0.586 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 767323404 YSWGNRROZFDLIL-UHFFFAOYSA-N 439.877 0.843 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 769739107 REWFLQXKQHURAK-VIFPVBQESA-N 443.279 0.720 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccnc12 769857956 BLCVEODTUYJRHS-UHFFFAOYSA-N 435.441 0.375 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3(O)CCOCC3)c2)cc1 771844923 GDNYBISTTRUJOV-UHFFFAOYSA-N 449.485 0.799 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 771930104 MIPKBLYRJJWGQN-STQMWFEESA-N 431.536 0.946 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 772047038 YUPVZUQZOWJXDJ-PJPGKUGYSA-N 430.461 0.279 50 20 ICGD COc1c(Br)cccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 774366032 ZKWQAPNJFSOZNX-UHFFFAOYSA-N 442.295 0.493 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 782832558 ORYMLVIQTQXAKE-UHFFFAOYSA-N 446.423 0.650 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cccc1N1CCOC1=O 784005322 VIWLCATYFCJHEJ-UHFFFAOYSA-N 445.457 0.529 50 20 ICGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccc21 794599038 SZKNSHQAYMSPGO-UHFFFAOYSA-N 434.430 0.367 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCn3c(Br)cnc3C2)cc1OC 796043422 JWQJBNUBECBAAM-UHFFFAOYSA-N 438.282 0.940 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)C2CCCC2)ccc1F 797422612 RWVAPQBPTPMEBI-NSHDSACASA-N 432.495 0.738 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 806977875 CMLCZFAZVKITKN-SJORKVTESA-N 447.451 0.355 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc3c2OCC(=O)N3)cc1 810386299 UFKNRYSEUPWMFG-GFCCVEGCSA-N 442.428 0.970 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cn1 814646847 UXLIZGZGZRJAKL-LBPRGKRZSA-N 444.477 0.283 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)cc1Cl 821135950 WYEOIBRRRTWMGL-MRVPVSSYSA-N 442.874 0.400 50 20 ICGD CCc1noc(C[C@@]2(O)CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 856672742 CUNHIMPHKGKYSW-IBGZPJMESA-N 432.437 0.371 50 20 ICGD O=C(NNc1ncccn1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 913044052 RCIFSHDLTZRQGS-UHFFFAOYSA-N 430.446 0.508 50 20 ICGD COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 913465340 ZPHPEVPRMDJTHG-UHFFFAOYSA-N 435.458 0.598 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919131185 YAEBVFMCMMZROB-OAHLLOKOSA-N 447.448 0.827 50 20 ICGD CS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1115869538 XRKXPTTTYCKWGI-UHFFFAOYSA-N 439.515 0.779 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNc1ncc(F)cn1 1116403944 LMMIOESYDPSSBY-ZDUSSCGKSA-N 425.442 0.301 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1cncc(Br)c1 1341242691 VSBWNPVACGSDFW-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779037358 XELWYCMDRMERFI-HSZRJFAPSA-N 448.483 0.508 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(F)c[nH]1)C2 1779376114 YJHVPRKRXWVLMF-DYESRHJHSA-N 444.467 0.594 50 20 ICGD Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)C(Cl)Cl)C4)C3)c(C)n2n1 1783948017 RMBCJQLJOVUELK-KRWDZBQOSA-N 427.292 0.988 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21)[C@@H](O)CCl 1784090845 DKULVHMQZHSGPU-JURCDPSOSA-N 426.901 0.118 50 20 ICGD O=C1C[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)CCN1 1788143549 MIQOFXKLHGVLKA-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1790571890 ZXSZNCLUZOVDGK-MRBYEJRBSA-N 439.351 0.141 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791691483 XDPMVBWJVKRHSD-HTOAHKCRSA-N 429.319 0.387 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C1CCCCC1)C2)c1ccc(B(O)O)cc1 1795735791 DUBSARGLHKKUQB-JHMHLNOUSA-N 426.322 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc3C1)C2)c1ccc(B(O)O)cc1 1795737017 TXEFWTHCGKCSCY-CUDBPUKSSA-N 448.328 0.375 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740629 DYOMAONHUWJSPM-BWKKGPAXSA-N 447.300 0.510 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(F)CCCC=C1F)C2 1797756845 MKUDGSFHQCHPFA-CXCSCZSYSA-N 449.458 0.634 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797778815 FFHCLQGLMDDSLF-GEJOOGBSSA-N 426.315 0.650 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)ccc1O)C2 1798441939 PDRLPAPJZKTJLS-CLLJXQQHSA-N 425.445 0.662 50 20 ICGD N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1798922348 NOTUWFBBGDSGRG-HGKCTWBKSA-N 434.456 0.074 50 20 ICGD Cc1cc(F)cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801082375 WLAPNBWGJRXVJV-OPMZPASUSA-N 440.280 0.260 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C(=O)C2CC2)[C@H]1c1cccnc1 1803061710 ZEHQFOHSSJKCJI-MAUKXSAKSA-N 436.472 0.379 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362358 KCQLVIGYELOCAY-UWJYYQICSA-N 446.272 0.495 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)C1 1809969691 MJDMBWJPTMLXSM-LJQANCHMSA-N 427.354 0.553 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1812323780 JFGSQDXBSJSCKU-ZSZQSSIHSA-N 433.896 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1=COCCC1 1813113886 IUJIIEWOAKTIQT-RXVVDRJESA-N 435.289 0.775 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474538 ULEVUDCPFYHYSY-MSOLQXFVSA-N 425.298 0.490 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1822439163 BGERJEHXXPVMHN-HUUCEWRRSA-N 440.570 0.889 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055893 NQHJCGURAWITIR-OAQYLSRUSA-N 443.353 0.468 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829339078 QYOKRTGTDHYAIG-SFHVURJKSA-N 426.282 0.342 50 20 ICGD O=C(c1cccc2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735414 HOGLMSCXUVVWRD-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1832575909 ODZOOEOTGKNPFF-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833523142 ATAKJPAWOLQWQN-STQMWFEESA-N 431.375 0.853 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833572468 KAHYGWWCKYLWLD-FZKQIMNGSA-N 430.864 0.870 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833767893 GQIBGQVQUXSBBT-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835990764 BUAWMMPYIFTZMG-RDTXWAMCSA-N 443.342 0.593 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837116665 NEQAWDWYIBIYRW-CABCVRRESA-N 428.917 0.601 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837140816 GHUQSHSAJQNGMV-SCLBCKFNSA-N 442.925 0.374 50 20 ICGD CC(C)NCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837909165 ZDVWDXACBOQLJQ-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1840155635 FWMMQIFNQIWROP-XLIONFOSSA-N 442.944 0.290 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840156694 XIQPFGIJDWVBEZ-XHNVJUCFSA-N 444.912 0.040 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201114 FRMVUAGEMXKQQK-INIZCTEOSA-N 443.850 0.386 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840201926 QRIDVLXOCZCYAM-BLLLJJGKSA-N 443.850 0.529 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1cncn1 1840420621 PSGTZLDHXUTXCN-XOKHGSTOSA-N 434.324 0.532 50 20 ICGD Cc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1840666286 MTFNMIWLZJETJO-QHCPKHFHSA-N 446.548 0.746 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC3(CCCN3C(=O)[C@@H](O)CCl)C1)C2 1841353399 WSNUNUXBTXMUOT-HIFRSBDPSA-N 438.912 0.425 50 20 ICGD O=C(c1ncccc1Br)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011748 OLSXFZZMQHNIHH-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD O=C(c1cccnc1OCC1CC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013619 QIZDDFOMLZTVAZ-UHFFFAOYSA-N 435.289 0.681 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)CC1(O)CCC1)C2)NC(=O)NCc1ccccc1 1845039434 PDSAIMIRYPRPAH-UHFFFAOYSA-N 443.548 0.841 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1846070969 OFJMXFJTFRFDFE-ZIAGYGMSSA-N 433.299 0.858 50 20 ICGD CN(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)S(=O)(=O)c1cccnc1 46910242 ZSEHCSUTYWOKRN-UHFFFAOYSA-N 430.446 0.055 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2sccc2NS(C)(=O)=O)n1 110955229 UUHKROULSPNDQQ-UHFFFAOYSA-N 432.505 0.431 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 727501523 XPSAERAJAQIALI-AWEZNQCLSA-N 433.515 0.151 50 20 ICGD Cc1ccc(C(=O)NCCC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(O)c1 728730293 KXTQNZAOLIUGTE-UHFFFAOYSA-N 434.474 0.519 50 20 ICGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728854334 RJGQNJXQHNDQMB-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1 728977349 GXMZJDYSRUVQFE-MRXNPFEDSA-N 430.490 0.760 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 730451015 DRQQCTCYDYZNIY-QZTJIDSGSA-N 443.591 0.721 50 20 ICGD CCOc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(Cl)c1OC 730569268 SJCAPKPIYXSVKN-UHFFFAOYSA-N 441.897 0.782 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCN2CCCS2(=O)=O)cc1Br 732244329 DZUXJIJJSNWOAR-UHFFFAOYSA-N 435.300 0.437 50 20 ICGD CN(C)c1nccc(NNC(=O)c2ccc(C(=O)NNc3ccnc(N(C)C)n3)cc2)n1 740114498 XXLIGKGTAYSNBK-UHFFFAOYSA-N 436.480 0.912 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCS1 743282352 LAVUBYNMEDVKLI-INIZCTEOSA-N 427.548 0.683 50 20 ICGD C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 743512375 UMEIRFDUTLFUHX-KRWDZBQOSA-N 449.519 0.817 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746239811 JJIGBWNNPMRKLT-LBPRGKRZSA-N 432.458 0.157 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 746362058 VTFDMMLYGLXCFQ-CQSZACIVSA-N 431.536 0.100 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 746607816 MPRPAYMQDGFXHZ-NRFANRHFSA-N 429.477 0.438 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 747473452 CZVYHDOEBWDEOU-GFCCVEGCSA-N 437.337 0.896 50 20 ICGD O=C(CS(=O)(=O)Cc1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 748240257 QYIXLISSVSOUAA-UHFFFAOYSA-N 432.296 0.134 50 20 ICGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1F 749142117 PHYCABMSISZAHG-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 749785502 KRBDVVWAVNWZSH-MRXNPFEDSA-N 431.357 0.748 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 750280474 PYMIDOZXCADOIU-NILFDRSVSA-N 446.416 0.463 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CC(=O)N(C2CC2)C1 750654813 IBFVDXBOVWGUPG-CQSZACIVSA-N 435.506 0.178 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 753025956 SBBMLUJMOPQKBK-RBZFPXEDSA-N 433.465 0.515 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(F)c1F 755954541 CEGYHHQOFSJSIO-UHFFFAOYSA-N 438.372 0.350 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 757721226 UTOCRSJFBCHIFD-UHFFFAOYSA-N 427.425 0.624 50 20 ICGD O=C(NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 759202562 SANUFTWIWDTYSY-OAHLLOKOSA-N 444.941 0.871 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNc1nccc(N2CCOCC2)n1 762855639 IXOZWGHGOYOYCG-UHFFFAOYSA-N 445.505 0.275 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)c2ccccc2c1=O 763270318 KAASUHUPXOWQBW-GOSISDBHSA-N 426.521 0.738 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763871057 DARDPJHPSBIXBI-CYBMUJFWSA-N 437.416 0.418 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 763889050 VNAHBBQVENOALX-OKILXGFUSA-N 440.522 0.617 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)cc2)CCN1 763977240 KUJRRQNFEQIQQZ-UHFFFAOYSA-N 431.836 0.382 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764118251 ZFGYCGUCMONZPT-UHFFFAOYSA-N 445.819 0.497 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764353303 HTXQBBSLMSJPFY-UHFFFAOYSA-N 436.516 0.942 50 20 ICGD CCCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765277708 UOCWAUXWFUTMLZ-UHFFFAOYSA-N 443.501 0.179 50 20 ICGD CC(C)Sc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766644672 PDXYBYNEZZVQIE-UHFFFAOYSA-N 430.490 0.395 50 20 ICGD Cc1nc(C)c(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(O)n1 766660418 MEPKQSMRPLSHII-UHFFFAOYSA-N 446.939 0.960 50 20 ICGD COCc1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 774611967 WBXJLCDUNUZZDC-UHFFFAOYSA-N 441.531 0.772 50 20 ICGD O=C1CCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(F)cc2N1 778706472 RPRNXRXUIXZALU-MRXNPFEDSA-N 428.376 0.636 50 20 ICGD CCNC(=O)N(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 780711113 JEARVGGPMCSSHA-UHFFFAOYSA-N 433.450 0.776 50 20 ICGD CCCn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 781559282 HZOKANGNAQOQLR-UHFFFAOYSA-N 449.533 0.708 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CC[C@@H](C)C2 782966996 QCIJNJMMEPSTOD-SECBINFHSA-N 436.490 0.414 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)nc1 783265229 WCGXANGUKFBFDN-UHFFFAOYSA-N 449.489 0.628 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1 785402508 WYRFWXPBBXJAHU-UHFFFAOYSA-N 437.449 0.807 50 20 ICGD COc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1S(=O)(=O)N1CCOCC1 792209530 QBUFSGORQMGSEC-UHFFFAOYSA-N 447.477 0.907 50 20 ICGD CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 792365961 YBCCQAJSEIWSJZ-UHFFFAOYSA-N 432.477 0.669 50 20 ICGD Cc1cccc(C(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 792947588 MUMXBZWBBOGVSH-UHFFFAOYSA-N 446.533 0.470 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794063701 JQPGIYRIHPXXPL-UHFFFAOYSA-N 448.501 0.813 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C(N)=O 796992821 XNZIEYATXSRHST-QGZVFWFLSA-N 442.428 0.499 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc(Br)cc1[N+](=O)[O-] 797537275 GKSCIOJUTOSRKA-CQSZACIVSA-N 449.283 0.802 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806567794 LUAJQARAJYNYMP-CYBMUJFWSA-N 440.444 0.835 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 807236098 YZKPOFHIHLHOHL-UHFFFAOYSA-N 444.857 0.996 50 20 ICGD COC(=O)[C@H](CCC(=O)NNC(=O)N1CCN(C)CC1)NC(=O)OCc1ccccc1 807380122 POCFCVHYPMAYKY-INIZCTEOSA-N 435.481 0.223 50 20 ICGD COCCC(COC)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812221417 AJIVXHGQTRPLQC-UHFFFAOYSA-N 427.523 0.795 50 20 ICGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815693387 VRGPUPUVDGGREC-VIFPVBQESA-N 439.245 0.837 50 20 ICGD CNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 819681557 YXAQOOYUDAECKB-OVCORXIESA-N 435.550 0.799 50 20 ICGD O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)c1 832170628 RTJJCAJKDGHUMB-UHFFFAOYSA-N 432.208 0.797 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)o1 915030690 MDDSRTBKXYZHAM-UHFFFAOYSA-N 429.838 0.801 50 20 ICGD O=C(COc1ccc(Br)cc1Cl)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883912 GKQAXMDPMRPNJC-VIFPVBQESA-N 440.703 0.999 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 919901793 KMQDWGVLLURIJF-UHFFFAOYSA-N 427.509 0.570 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1ccc(CN2C(=O)CNC2=O)cc1 920930249 GRWLYFGDZGQBIY-UHFFFAOYSA-N 435.400 0.854 50 20 ICGD NC(=O)C1CCN(C(=O)C2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)CC1 1319904426 HGPUPNITMDGKAG-UHFFFAOYSA-N 433.484 0.023 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2c1=O 1319952928 VWESNQYNYWSPMS-CYBMUJFWSA-N 426.477 0.932 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncoc4c3)C2)C1 1778007027 DKAUGNYCCDHSEY-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD Cc1c(F)cccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029183 NKQXXJUQSMDZFH-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD Cc1nocc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371188 PCXPMLNRDUJCAL-DYESRHJHSA-N 442.476 0.423 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)C1(O)CCC1 1782210104 FKQJFBJPNSOLPK-CBGDNZLLSA-N 438.569 0.424 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565539 MXJGOMRYUDKFRS-NMQRCDEWSA-N 429.379 0.790 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)c2c1 1783934567 HRXHSEABGGAXOS-JOCHJYFZSA-N 442.520 0.459 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1785253317 TWZTWHAOJKZDST-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1787508797 JOBHWZVIPGHNRX-SAVYNJCVSA-N 439.476 0.204 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1792867981 MLHSTFTXNWGFRH-JFILPPLUSA-N 436.310 0.964 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)(C)C 1792913866 JISBTIKNVMTGHH-MWOJSLNISA-N 433.509 0.117 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793088248 YBFBYRRNLDKGPN-DGADGQDISA-N 447.960 0.869 50 20 ICGD O=C(CNC(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188400 ZLNDXKBZKHFQAX-BJWYYQGGSA-N 441.318 0.110 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)s1)C2 1800978397 DACPMZRQFCPFGT-DMVWFOPNSA-N 444.937 0.921 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1cnn3C)C2 1801011222 BCDBYPSHIGHHCI-USGNIVHTSA-N 442.520 0.150 50 20 ICGD Cc1nc2sccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011738 ZSFTWUNRGBWPKR-XOIINTDNSA-N 448.549 0.280 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC(=O)O 1802356763 SLVLYNMBKNDTKU-ZVMOGAGKSA-N 435.506 0.576 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803141676 SMEANMCBCMDVNS-ZWOKBUDYSA-N 442.907 0.973 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363534 MEIPKMTXMRKXCX-YLJYHZDGSA-N 425.294 0.242 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cccn1 1807374799 NLGNRBOUEXLOHS-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD O=C(Cc1ccccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340293 HWWMACURQFMWJP-INIZCTEOSA-N 436.302 0.686 50 20 ICGD CNCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817312348 MTRWSJKCXNHBGM-MRXNPFEDSA-N 428.497 0.714 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncn2)[nH]n1 1819402567 BRSFMDJZIOJQJS-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2 1819796755 DKOWCRPUTXNBEP-MADCSZMMSA-N 426.861 0.902 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1820079049 XNCPAFNAHACGFC-STQMWFEESA-N 448.553 0.356 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1cccc(B(O)O)c1 1820712621 HRXDJAGZIQTISY-NSHDSACASA-N 428.235 0.056 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)CC1 1824928444 UDEFLCLBAGCGCI-GOSISDBHSA-N 448.568 0.587 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825447472 XYQPXHGXYVFBGZ-LPEHRKFASA-N 446.371 0.821 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827046457 ICRBFYAKMKIDQQ-CABCVRRESA-N 436.900 0.251 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1830180415 VSXAHLLYPSGUIL-RBBKRZOGSA-N 441.381 0.942 50 20 ICGD O=C(c1cccc2cnccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731575 MKAAACICBZNLBP-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513966 XZRWRUFREOEITC-CABCVRRESA-N 445.358 0.840 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801128 QXBSWDOIBFFTDE-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cnn2c1 1836947715 PGQZZHVCROPJKK-RDTXWAMCSA-N 425.848 0.642 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838358017 PWEGVVFOIMULJQ-HZPDHXFCSA-N 449.932 0.303 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1838785036 DKHKAQAWPHZJBZ-OXJNMPFZSA-N 448.944 0.855 50 20 ICGD COc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838877350 BWWLRXOOXCTIIL-JOCHJYFZSA-N 448.520 0.138 50 20 ICGD O=C(c1cnccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199635 REDXHBKYYZMKIW-CZUORRHYSA-N 434.237 0.981 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cs1 1839199806 VEGZSKZVQUTTLJ-QMTHXVAHSA-N 437.291 0.486 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1839357243 FKYFGRSBVQMXLY-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD O=C(c1cnc2c(c1)CCNCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839693296 VZIDEFLDROOPAV-PXNSSMCTSA-N 440.903 0.374 50 20 ICGD CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743476 SUIOGPJOALDPIY-CQTHNFAISA-N 448.470 0.890 50 20 ICGD O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840104594 RIYGUFPTZGLPTO-GOSISDBHSA-N 446.342 0.240 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3F)C2)C1 1840154685 COLJUWBHWPLAKO-HNAYVOBHSA-N 430.860 0.855 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cn3c(F)cccc3n1)C2 1844264950 BUKPCCWNNJJIAC-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672695 HPIDDXKRDUFVGY-LBPRGKRZSA-N 434.294 0.938 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1846002456 SKSACFONCKRWSK-JSGCOSHPSA-N 430.933 0.847 50 20 ICGD O=C(C[C@H]1COc2ccccc2O1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847755037 HXBPDCVIQXVPST-FHWLQOOXSA-N 436.273 0.412 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)c1 28630346 DDCNFFDLTJFBMK-UHFFFAOYSA-N 425.488 0.648 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)n1 733538741 HKJJXPGZPCCOLG-UHFFFAOYSA-N 442.457 0.283 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733755450 ZRPJPBHHOQDSMO-KBAYOESNSA-N 437.518 0.355 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOc3cccnc3)nc2)CC1 734067001 BUWYTDHEOBCMGT-UHFFFAOYSA-N 435.510 0.118 50 20 ICGD CC(C)OCCCn1c(NNC(=O)c2cn(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 735054865 YNKBMHNGLUKDDE-UHFFFAOYSA-N 442.476 0.366 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 745112021 RHRLQRJPYSCDEP-UHFFFAOYSA-N 448.476 0.379 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 745861605 CQBSXRWVDYCJDQ-OAHLLOKOSA-N 425.555 0.308 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1CCN(c2ccccn2)CC1 746269756 JMQWIQCJXKRKFJ-UHFFFAOYSA-N 435.529 0.449 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746747996 ZGJZVZYVAYIUNO-UHFFFAOYSA-N 430.490 0.457 50 20 ICGD O=C(NNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H]1CCS(=O)(=O)C1 747713048 NRSMGWJESGEZQP-SNVBAGLBSA-N 425.448 0.849 50 20 ICGD CCc1cc(N2CCC(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)ncn1 748664161 VXRGPKSGYJTJMD-UHFFFAOYSA-N 436.480 0.628 50 20 ICGD COc1cc(NC(=O)CN(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 752330061 AACMXKBBLODEPO-UHFFFAOYSA-N 445.432 0.944 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1 753784120 DZQWRMONXZTBBF-AWEZNQCLSA-N 446.957 0.473 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)n1 756295482 NSZUSVYOGPADRW-UHFFFAOYSA-N 440.508 0.806 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 758028306 DMDZYXMSSUTJJX-JTQLQIEISA-N 437.444 0.402 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 763159252 SWBOPRWYNCMFTJ-ZQAZLKBPSA-N 429.458 0.450 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)c1 763379632 ZWGGXNMEQIKEFO-HNNXBMFYSA-N 428.580 0.915 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)C(=O)NNC(C)=O)c1 763517219 SHQJSCKYUFEIBF-UHFFFAOYSA-N 439.538 0.813 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 763530667 LGYBSYHYRXJGSY-IYVPYFHTSA-N 430.486 0.622 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1OC 763574548 DEVDVXNNZMNEKV-HNNXBMFYSA-N 431.401 0.638 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 763912259 UYSVFRZNLCXKGN-UHFFFAOYSA-N 439.432 0.859 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(Br)c[nH]1 763995069 LLCJNJRWZGESCD-UHFFFAOYSA-N 426.231 0.042 50 20 ICGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2C)c1 764001871 GFWUKTXQDDGUIY-AWEZNQCLSA-N 433.490 0.318 50 20 ICGD O=C(CCCc1cccs1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764340004 PVPYTGHQLABFGH-UHFFFAOYSA-N 434.522 0.386 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734704 CLZUVNYFUTXZPQ-UHFFFAOYSA-N 433.509 0.507 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1F 766260809 KCMPRNUGLYHJOB-SNVBAGLBSA-N 448.411 0.388 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 771605742 BLNHWGZEAMEJMF-UHFFFAOYSA-N 427.822 0.370 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 772992031 ZRAFCCUFYGMWBX-NSHDSACASA-N 436.877 0.993 50 20 ICGD COC(=O)c1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 775780963 WADDOOOACUTWDU-UHFFFAOYSA-N 438.484 0.621 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccn4c(O)nnc34)cc2)CC1 780991578 DVFGHRCAFFFQQG-UHFFFAOYSA-N 431.478 0.128 50 20 ICGD O=C1CN(CCNC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)CCN1 781405909 JQJKGHUKSGUPNO-UHFFFAOYSA-N 425.489 0.418 50 20 ICGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC(C)C)cn3)cc2C1 783264416 PBBXMSCZSUDJIR-INIZCTEOSA-N 447.517 0.964 50 20 ICGD C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783427928 QVZVBEGTUXRGQE-VLIAUNLRSA-N 436.534 0.838 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(OCC(F)(F)F)cc2)cn1 784370182 IMJMNGQDQKAHNY-UHFFFAOYSA-N 428.371 0.994 50 20 ICGD O=C(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)c1cccs1 787406016 JXFCVYQBHHVJQC-HXUWFJFHSA-N 442.453 0.446 50 20 ICGD Cc1ccc(CN2CC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)cc1 790699627 DVVJONARWIYTHM-SFHVURJKSA-N 448.483 0.987 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O)cc1 792454126 HREALCWQASXATF-WBMJQRKESA-N 436.446 0.392 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 795289495 HPRUTEDHJXWFHQ-UHFFFAOYSA-N 435.458 0.457 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)ccc1F 806974409 KDDKURVCKGJUHZ-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD COCC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCOCC1 813772568 KZUCBRJYEKBQKD-UHFFFAOYSA-N 428.511 0.324 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cn(Cc2ccccc2)nn1 815566782 FOHVJFWIJFBGLK-UHFFFAOYSA-N 446.427 0.617 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3cc(Br)c[nH]3)cc2C1=O 861711142 ULOQHAWEZTXJSB-UHFFFAOYSA-N 427.236 0.626 50 20 ICGD COc1cccc(C(=O)N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 912886326 CPTMIMDUZYPUNR-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 917362602 VPNYNNUHTCGIQI-GJZGRUSLSA-N 425.445 0.904 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)N[C@H]1CCS(=O)(=O)C1 919885330 ONPYETHXNMUOPI-GJZGRUSLSA-N 430.486 0.710 50 20 ICGD O=C(NCC1CC1)NNC(=O)c1cc(I)ccc1-n1cnnn1 920858792 CXMSYOQNCHWDIN-UHFFFAOYSA-N 427.206 0.621 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3occ(C)c3C)CC2)cc1 1345428582 WYUFZSWPDXVDMU-UHFFFAOYSA-N 434.518 0.972 50 20 ICGD Cc1ncncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779800363 FNDBFLVTSSZGPV-DYESRHJHSA-N 432.525 0.286 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781933633 LQALAURUXMGSCF-IQUTYRLHSA-N 433.933 0.625 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1783873950 ALTHUPYQSVQECK-LHSJRXKWSA-N 448.907 0.631 50 20 ICGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccc(Cl)c1 1786880717 ILCFROQQDSLVNJ-JVNPIMRCSA-N 430.332 0.919 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)cc3)[C@H]2C1 1789578698 USLYDFDIBLFNTB-JVPBZIDWSA-N 441.463 0.731 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccccc1-n1nccn1 1790166018 GSRLJKQKNLFVDU-IKICRFKJSA-N 433.896 0.460 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790591705 NRFGDPCLNMHTSK-PAKFGRKTSA-N 447.319 0.777 50 20 ICGD CC(=O)N[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1791288326 MCBKIWVLVYFLMC-CYBMUJFWSA-N 438.488 0.957 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(C(F)(F)F)n1)C2)[C@@H](O)CCl 1792975652 SXLYFUCBVBAGFR-DZJQYVJYSA-N 435.830 0.832 50 20 ICGD Cc1nn(-c2ccccc2)c(O)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794328108 QFPWOWCJPYMGEJ-CXHZTBPHSA-N 448.907 0.689 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn2cccc(F)c12 1796189480 SFNZIVFHQIMKJX-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)cc1 1796362493 CKGYHUUDBVPXAV-DLTLXFJOSA-N 432.901 0.757 50 20 ICGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1ccccc1=O 1798439860 LINFYMMLQMQUBX-JONQDZQNSA-N 438.488 0.360 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2c(nc1=O)SCC2 1799074654 JKNVQFWOOGPGBL-FQLMCAECSA-N 440.953 0.499 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1799275793 CXWQGHBELCMOPD-ZYYNGRNUSA-N 431.276 0.614 50 20 ICGD COc1cc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1OC 1799703187 CTUDQPPWWPQZBY-ZFHGCVPZSA-N 426.897 0.815 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1800975557 QSHFNJKXHXKATD-MIJXAVMKSA-N 436.818 0.952 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801269983 CZZGCOWAQUWPGK-ZRTFPUAOSA-N 425.327 0.888 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1802197968 ZLDSAKSDRXLNKJ-CRWXNKLISA-N 449.907 0.135 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804424997 JZUUESMUQPUEOT-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1 1807117045 CFBXJAVOVLOOCH-QEJZJMRPSA-N 441.305 0.618 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363486 OUNTYVJVYZTRME-DYESRHJHSA-N 433.277 0.047 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807366064 XLRRXEKWHGNDJL-XMSQKQJNSA-N 447.304 0.057 50 20 ICGD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808246757 OYIDIZBHKYFKCP-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809967598 PJXHJEWZNWGGGP-ZDUSSCGKSA-N 436.900 0.516 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1812864740 PGDBZNFCCNXTNW-WHOFXGATSA-N 432.340 0.915 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1ccnc1 1815003189 OHQJZCQKPDJCOL-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822368358 ARROZZUOFKVYRY-CMPLNLGQSA-N 426.861 0.207 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1822416659 KDHNCUHIFGWFJZ-OAHLLOKOSA-N 444.496 0.032 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903584 BPGYVANIDDQXOG-LSDHHAIUSA-N 428.917 0.412 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1ccnc1 1830981372 AFAHPUDEOLZBIH-XJKCOSOUSA-N 433.278 0.591 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831467319 YINYDVOGUMXYJN-ACJLOTCBSA-N 448.358 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCn2ccnn2)CC1 1831876600 LQXYEBKURPFEMJ-GOSISDBHSA-N 433.557 0.661 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)cccc1=O 1833869713 OZNVIEWKEIIXDL-HXUWFJFHSA-N 425.913 0.720 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516875 YPGWHYCXYUOTDT-IAQYHMDHSA-N 437.360 0.243 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717475 WOARYMJBDWLTQS-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838528828 CXVNWZVCBJIIHD-OXQOHEQNSA-N 425.913 0.863 50 20 ICGD O=C(Cc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201788 JHVGRWYBHSQICY-RDJZCZTQSA-N 430.274 0.771 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839909882 KNAKDGKIMNNWKP-UZLBHIALSA-N 426.897 0.645 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1840156565 VGUGMTASQPQGSH-PXNSSMCTSA-N 442.944 0.600 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)C1 1842475356 BKCHUFDEUWWLFQ-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COCCOCC(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1842775093 PHCMZUYRIPJJNL-AWEZNQCLSA-N 433.933 0.985 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Cn1cccn1)C2 1843415539 NFAMUJLNCBEYDP-HXNWEGJNSA-N 425.493 0.857 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039145 JGUQHUFRMVBCNU-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)c1ccc(F)cc1 1846385473 KPCJOLFOLYQCKO-FQEVSTJZSA-N 447.511 0.579 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15793694 OMCJRYLSLCXEMX-UHFFFAOYSA-N 433.442 0.511 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 15795236 ZRJPBJIMEXIDLY-CQSZACIVSA-N 426.341 0.178 50 20 ICGD COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 726613889 SKHMKOJRZRLUOL-UHFFFAOYSA-N 434.474 0.782 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728323409 FQJGNMSHJFAVGR-CJNGLKHVSA-N 433.461 0.554 50 20 ICGD Cc1ncsc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 729616415 WLQZNCRXCHFIFA-UHFFFAOYSA-N 425.540 0.609 50 20 ICGD COC(=O)c1ccc(OCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 731218380 ATSJNTBAJQBIDB-UHFFFAOYSA-N 449.489 0.789 50 20 ICGD COc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)nn1C 732750335 MTKLRGJWPWAXOD-UHFFFAOYSA-N 435.506 0.987 50 20 ICGD Cc1nc(-c2ccccn2)nc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1C 734257425 WVKPCCXFMLECPV-UHFFFAOYSA-N 430.494 0.619 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3ccccc3S(C)(=O)=O)ccc21 735686581 WGNATAZDIRUHST-UHFFFAOYSA-N 430.486 0.872 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C[C@@H](C)O[C@H](C)C1 741027466 ZQHNWAAEDFLBNZ-CWLMSFPYSA-N 449.504 0.651 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C(=O)C1 741171868 AAVXWFRSFIKDCA-HNNXBMFYSA-N 434.449 0.053 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 742576460 BZMVZDNJSKCFDB-HUUCEWRRSA-N 440.522 0.812 50 20 ICGD COc1cc(C)nc(NNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 746764646 FUFPTANPORFPNC-UHFFFAOYSA-N 426.421 0.981 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)N(C)c2ccccc21 749326206 KGINKZJZUGSCAO-UHFFFAOYSA-N 444.473 0.354 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1 750508743 RQNQHJNCEWVYCS-UHFFFAOYSA-N 426.495 0.942 50 20 ICGD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 751291048 RCBXZEISJOAROR-GOEBONIOSA-N 438.550 0.983 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nc(O)n(C)c3c2)CC1 752621312 AFIDDVDVGKTLID-UHFFFAOYSA-N 445.505 0.367 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNc1ccc(S(C)(=O)=O)cc1)OCO2 753842073 RNWIJBZGGZWTJV-UHFFFAOYSA-N 435.414 0.687 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC)c2)c2ccccc2c1=O 757866998 NWZWYKGUHHWBEM-UHFFFAOYSA-N 440.464 0.606 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(Br)cc2)c1 758036743 UXHDPAYGHWWRTN-SECBINFHSA-N 430.284 0.334 50 20 ICGD O=C(COC(=O)c1ccnc(OCC(F)F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 758631235 PJLHKWPELDBGON-AWEZNQCLSA-N 437.355 0.870 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1 761063421 JECCCRYJBKXWMK-OAHLLOKOSA-N 432.477 0.986 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)cc1 763686578 VNTIXXIVVKTMBQ-UHFFFAOYSA-N 444.557 1.000 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cn1 763774313 BQBGZYSTPIOTMJ-UHFFFAOYSA-N 447.448 0.598 50 20 ICGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2NC1=O 764204688 RTRMHGDQWLJLNI-LLVKDONJSA-N 449.464 0.797 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cccc(OC(F)F)c3)ccc21 764251809 YYSXTEKGCXKPIE-UHFFFAOYSA-N 433.371 0.878 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cnn(CCOC)c3)n[nH]2)cc1 764385143 SUPJKKJHGPXRME-UHFFFAOYSA-N 425.449 0.882 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 764396971 DEPAWSAWUVDATJ-VIFPVBQESA-N 448.270 0.604 50 20 ICGD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 764430135 BPOWJUQHDIPKEZ-UHFFFAOYSA-N 433.808 0.880 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 764435402 UWEIWCOVXXWVKI-OAHLLOKOSA-N 438.868 0.467 50 20 ICGD CO[C@@]1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOC1 764804550 RLHUJDTZYMOHDY-GOSISDBHSA-N 426.495 0.221 50 20 ICGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765118102 IYHNWGXFDGAUOO-UHFFFAOYSA-N 448.549 0.307 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCS(=O)(=O)CC1CC1 765961315 ZQGNQYHOCWMWIV-UHFFFAOYSA-N 434.312 0.983 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnccc3C)CC2)cc1 766636112 JSZQCGMTDSOGEH-UHFFFAOYSA-N 431.518 0.466 50 20 ICGD Cc1cc(C)nc(SCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 766640743 FQCAOUNAFYXLLP-UHFFFAOYSA-N 442.545 0.791 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(ccc4ccccc43)[nH]2)n(C)c1=O 766646317 ZHYQPBDRKJJGCE-UHFFFAOYSA-N 445.439 0.529 50 20 ICGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766659899 IHIVCVYPGQIXOM-HNNXBMFYSA-N 440.953 0.553 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 768908293 PASKBDWNZCQIKQ-OAQYLSRUSA-N 426.429 0.980 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 769620010 RNSWDASXADJVEN-UHFFFAOYSA-N 444.435 0.918 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 770507894 WRMCUABBDVFPML-IUODEOHRSA-N 437.449 0.820 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 773267770 WMNZXXLADOQTAR-JTQLQIEISA-N 433.895 0.764 50 20 ICGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783833316 WKFDQWDHFNYNSI-DLBZAZTESA-N 438.506 0.886 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)n2)CC1 787541401 QUUNIAKAJLRKMF-UHFFFAOYSA-N 434.884 0.968 50 20 ICGD COC(=O)[C@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 788407734 XTABBRJIUPZWEV-MRXNPFEDSA-N 439.515 0.918 50 20 ICGD O=C(COC(=O)CN1CCc2ccccc2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 789276766 AJESCHOXOWBZJG-SFHVURJKSA-N 439.424 0.216 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCC2)c2ccccc2c1=O 793268348 BSZKTPFXBUOSJO-UHFFFAOYSA-N 435.506 0.889 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(CN2CCCC2)on1 812535127 WGSKZWADWNXIHT-UHFFFAOYSA-N 440.504 0.489 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(Br)c(F)c1 815692042 IEQJXXQNNKJLQG-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692621 WDAAWPJSZDZKEB-LBPRGKRZSA-N 442.867 0.774 50 20 ICGD COc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1 916234014 UHMUMPWJXINBPW-UHFFFAOYSA-N 435.510 0.248 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccncc1)c(=O)n2Cc1ccccc1 916330808 BFBWLFXWXYYDPX-UHFFFAOYSA-N 431.456 0.973 50 20 ICGD COc1cc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1OCC(N)=O 916640930 PGQQFIWSLPQHJA-LBPRGKRZSA-N 434.424 0.996 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C/c2cc(Br)c3c(c2)OCCO3)c(=O)n(C)c1=O 917622985 IHNMVTSSIZOTGH-BJMVGYQFSA-N 447.245 0.990 50 20 ICGD O=C(NC[C@H]1COCCO1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 918108333 HGRCEVDJUGGIPF-INIZCTEOSA-N 437.456 0.804 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NCC(F)(F)F)c2)C[C@H](C)O1 918707009 BAAPLBXBPCSWLX-QWRGUYRKSA-N 438.428 0.991 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1OC 919524740 MECJQDXVZVKDJS-UHFFFAOYSA-N 444.444 0.886 50 20 ICGD CCO[C@@H](C)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 920093169 NTEDFRUEFVPYJJ-SWLSCSKDSA-N 443.522 0.525 50 20 ICGD O=C(CN1CCCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920432999 HJYJXTDNGGIZLL-UHFFFAOYSA-N 444.513 0.939 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780936882 ZSLAVRPHFWLCRC-SUMWQHHRSA-N 430.889 0.256 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1781441036 QLPMMSNKEDQBBI-BEFAXECRSA-N 425.869 0.908 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc21 1782307017 FNPQVADENAAJRR-DEOSSOPVSA-N 448.284 0.253 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783348788 ANBLCMKJHQQIIY-BOWAJMLGSA-N 428.327 0.825 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCSCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986757 DYTQJTZLGQPUJQ-WDSOQIARSA-N 432.351 0.103 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477439 JXUPXGSPTWRMGJ-AVGNSLFASA-N 425.518 0.763 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2cc[nH]c12 1788070664 MQXZVYLVGHCXFX-YYWHXJBOSA-N 447.300 0.755 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2)[C@@H](O)CCl 1792982682 MANWJRFPAOJDFC-WESCVCPDSA-N 433.892 0.086 50 20 ICGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1795075181 WANVGLHDKMPSSL-MXNKGDRCSA-N 436.317 0.763 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cc3c1CCC3)C2 1797751644 LFNYWYHZYKOUGL-ZSBFGKGUSA-N 438.488 0.019 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)ccc1F 1798792735 UVOHQEJLVDLORV-KSPBDQMDSA-N 445.426 0.480 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n(C(F)F)n1 1799402627 VDVQDOAWLSXXQF-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800757898 VNVARZWBVXDLGI-OFTGVCEQSA-N 425.345 0.040 50 20 ICGD Cc1ccc(OCCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801008955 JZLVRHPIPDXXLM-FEJSZKPUSA-N 446.548 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3occc13)C2 1801012972 IHRIVNNJJBABAA-HBCWATKFSA-N 429.477 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1804784208 RRNLGFXSIJBFJS-UWJYYQICSA-N 440.504 0.408 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364084 PBAXEASGMUQUHN-DYESRHJHSA-N 447.256 0.348 50 20 ICGD Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)o1 1807474495 WQHCCKJJNHRSGM-HRAATJIYSA-N 443.508 0.395 50 20 ICGD O=C(Cc1cscn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976753 NEJATXQROPWNHL-UHFFFAOYSA-N 427.335 0.910 50 20 ICGD CN1CCC(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813068066 IBTSOMOQEXBOKC-KNQAVFIVSA-N 444.580 0.802 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1csnn1 1815363233 RBUHLXHHNSSPHK-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1 1815671417 RBPIQXDXMBZXLD-WFASDCNBSA-N 435.909 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817125893 ZHDVVBAALJARCE-JMCQJSRRSA-N 426.861 0.902 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)nn1C 1817473236 NBIPWDJLDDGRJQ-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)[nH]n1 1822412754 SIXDEVVIXMENER-DZGCQCFKSA-N 433.513 0.301 50 20 ICGD O=C(CCc1cnccn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822821995 RAJNDEMFWNDSHB-LJQANCHMSA-N 448.292 0.818 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824653973 VCAGWLYSYHNAOA-LJQANCHMSA-N 438.293 0.409 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCN1C)CC2 1826083063 JECKTSPPIGDZIG-ZFWWWQNUSA-N 436.582 0.912 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826841566 YILSOLBVNWBBOG-ORYQWCPZSA-N 429.370 0.973 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](Cl)COC)CC1 1828762884 FINJZDYVYHXPJG-BZUAXINKSA-N 433.933 0.924 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829544896 CRJORCJJICHULK-JXFKEZNVSA-N 441.912 0.804 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1830534060 WAKJURLWWFNAHI-TXPKVOOTSA-N 446.386 0.958 50 20 ICGD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2cccnc21 1830730763 DLHISAPQRBWWJI-JXFKEZNVSA-N 436.896 0.243 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1O 1830731805 MPTZSWBRISOCNB-KXBFYZLASA-N 428.869 0.071 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733020 ZMZFQSCGZXNIHB-NQIIRXRSSA-N 448.907 0.746 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739036 WYMCJRVLZBTXLU-UTKZUKDTSA-N 438.908 0.681 50 20 ICGD C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(F)(F)F 1834819678 SPLBWHHXHSMDTL-KGLIPLIRSA-N 447.248 0.541 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849909 NTSDDPWXNXQZDW-BDJLRTHQSA-N 431.287 0.216 50 20 ICGD COC(=O)CSCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714362 SHBLXWPJBLBGJQ-OAHLLOKOSA-N 436.958 0.491 50 20 ICGD CC(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836754482 ODKKVFLFAAQUFC-HXUWFJFHSA-N 426.558 0.375 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837105720 AFBBSCFVQTUKPF-YWZLYKJASA-N 436.896 0.887 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565155 MWELLLWJZUDEBJ-AYUYMFJTSA-N 442.310 0.938 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837709051 UFHHHIWTNYWARB-HXUWFJFHSA-N 438.601 0.579 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C34CC(C3)C4)CC2)CC1 1837922061 HMDKYPKMUHNJBF-UHFFFAOYSA-N 426.322 0.779 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838785049 DNLJHXLMUJGHMS-MRXNPFEDSA-N 438.974 0.674 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198160 WAJHPHXANYFHQF-BBRMVZONSA-N 431.262 0.546 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)o1 1839199827 VMMGTAKLLINNQD-HIFRSBDPSA-N 435.250 0.067 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202724 NTMNWGLYSBFPTI-WDMOLILDSA-N 431.686 0.387 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203024 XEKAHSRNXUGVRO-KWBADKCTSA-N 446.111 0.917 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203556 OSZLLGIMDVBBJG-NVXWUHKLSA-N 447.305 0.810 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccc(C)cc3)CCO2)C1 1840099931 JWRFDUTWUCKDAE-LAUBAEHRSA-N 438.908 0.888 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841761678 IRIHKSWMAZOKND-UHFFFAOYSA-N 445.325 0.487 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(C)(C)C 1843415511 UTRNWMAYUVDYQC-NFXIUMSZSA-N 444.536 0.875 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1844317349 AMFHCWVRFLZTBF-CQSZACIVSA-N 435.380 0.226 50 20 ICGD C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889692 WBGNNTURRSTWFF-CYBMUJFWSA-N 442.497 0.866 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 728312293 LESOPXAIAPMECJ-UHFFFAOYSA-N 435.502 0.756 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 732052272 OOLXONPMMXYYAQ-GOSISDBHSA-N 448.520 0.568 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NNC(=O)C1CC1 733193154 FWDAGJONPFISHF-UHFFFAOYSA-N 434.440 0.569 50 20 ICGD Cn1cc(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(=O)n(C)c1=O 735029063 RLMUJUABVHIDAC-UHFFFAOYSA-N 433.424 0.463 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 740749439 YXKDURXVMRSECH-UHFFFAOYSA-N 449.515 0.956 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCSC1 748966524 OGIUIPJLJATSKN-CQSZACIVSA-N 428.536 0.547 50 20 ICGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)CNC(=O)c1ccco1 749367087 OJPFUTMNTIUPCT-INIZCTEOSA-N 429.408 0.525 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 749560494 JLKCUIXPQVKWDQ-UHFFFAOYSA-N 430.442 0.830 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 750964544 WIFCGKZIEWYYIU-UHFFFAOYSA-N 432.433 0.498 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 753692335 SRFRQCITVJDANA-UONOGXRCSA-N 428.511 0.607 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)OCO2 753839692 CJFKDWODFTUTHR-SNVBAGLBSA-N 447.375 0.894 50 20 ICGD O=C(c1ccccc1CN1CCOCC1)N1CCN(S(=O)(=O)CBr)CC1 754282282 AXZZHZHTPMLSLD-UHFFFAOYSA-N 446.367 0.959 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2CCS(=O)(=O)CC2)nc1 756752698 IBMCCCWTKUMATH-UHFFFAOYSA-N 433.556 0.563 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 757734642 VDBHMQZPKUAGTM-UHFFFAOYSA-N 437.460 0.940 50 20 ICGD C[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)n1nnnc1C(C)(C)C 758359635 DETRPCGLGPRVEU-OAHLLOKOSA-N 442.524 0.137 50 20 ICGD Cn1ncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1Br 760381575 QFSSMISNZQUITP-UHFFFAOYSA-N 449.309 0.402 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCOc1ccccc1 763028535 GUXRZBVJBYHLEY-ZDUSSCGKSA-N 434.474 0.069 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OC 763551125 LWCCTFOLPJLPTQ-UHFFFAOYSA-N 426.429 0.996 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C 763679865 DPMNKBCWSFZBBO-UHFFFAOYSA-N 449.485 0.962 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc3c2OCO3)cc1 763734234 IPCKMUOEVHXVSR-UHFFFAOYSA-N 448.457 0.130 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 763734251 IVCHBNCDIOKTNR-UHFFFAOYSA-N 438.531 0.777 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)N2C[C@H](C)Oc3ccccc32)c2ccccc2c1=O 763786411 NMYLDVFOGCRTAJ-ZDUSSCGKSA-N 435.440 0.992 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763806387 CEDRLHOTOIKZSU-UHFFFAOYSA-N 434.416 0.397 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)o1 764139549 XQSUCFDVDAZUGK-UHFFFAOYSA-N 440.464 0.805 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)ccc1C 764242487 SSVXPXDUQCCQOI-UHFFFAOYSA-N 443.485 0.644 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2O1 764313012 GOIUSMVYLKLZJQ-GOSISDBHSA-N 442.447 0.836 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[nH]1 765591797 BGZWPCRGAPAHMF-FQEVSTJZSA-N 426.433 0.567 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 767744282 KOWVLGHIBBBEEA-HNNXBMFYSA-N 425.555 0.762 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)c1 768264213 DAIBHZLVMLWKSI-ZDUSSCGKSA-N 445.505 0.555 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 771968768 XHVQDBXQEQNYSJ-GFCCVEGCSA-N 430.483 0.181 50 20 ICGD COc1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 773726192 KYMVVPVQDHOHEK-INIZCTEOSA-N 440.460 0.735 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)n1 773726462 LXDZMPGIYCDXEL-UHFFFAOYSA-N 449.367 0.869 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1 778707676 UJHHFJBDKRSHDE-UHFFFAOYSA-N 425.376 0.747 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)ccc1OC1CCOCC1 783426544 MVJXSPGXWJIQML-LJQANCHMSA-N 425.507 0.689 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783999641 QNNOVQLIAPFWQG-CYBMUJFWSA-N 447.492 0.981 50 20 ICGD O=C(NNc1nc2ccccn2n1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 791253475 NXEMJPBHXGRMRW-CYBMUJFWSA-N 442.457 0.810 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc1 792803813 WVAZXRAESGHUPF-UHFFFAOYSA-N 437.474 0.754 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 794081604 KJCVYGSMWCMXQJ-INIZCTEOSA-N 433.446 0.913 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 794577099 QQWHATVHHPKULS-MRVPVSSYSA-N 427.298 0.202 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(Br)c1 794586085 YJJWTDQSWQSKQN-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 802056879 FHNPARLRIRCYOI-GFCCVEGCSA-N 447.473 0.548 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)Nc1ccc2c(c1)OCO2 802100075 SWSYGOUTAQXEBM-INIZCTEOSA-N 433.465 0.281 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806977341 FKXJMIKPWARCMF-SFHVURJKSA-N 446.410 0.891 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 807370604 OKCMVLXOJUOEHV-QFSNBGPKSA-N 446.504 0.726 50 20 ICGD O=C(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 808764870 BMRHVGVOJJHTKO-CYBMUJFWSA-N 439.494 0.150 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)ccc1Cl 814222538 PZSSPIWJMJMKOP-NSHDSACASA-N 438.897 0.480 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3c(C(=O)OC)cnn3C)n[nH]2)cc1 815569844 JUJAQWKPDHJWMS-UHFFFAOYSA-N 439.432 0.559 50 20 ICGD CCN(CC)C(=O)CSc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1N 843399168 NUNMXBXKDQZSME-UHFFFAOYSA-N 437.551 0.506 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNC(=O)c1cccnc1 916443367 DRHNHVQFMYUBLJ-UHFFFAOYSA-N 433.494 0.057 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cnc3nc(O)nc(O)c3c2)c2ccccc2c1=O 916720206 OFVDTWJQLAARLY-UHFFFAOYSA-N 435.400 0.802 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 920430680 CQPBJUFGZHSGHW-UHFFFAOYSA-N 435.462 0.790 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1254184026 JAIUDIREOBBJRY-SCLBCKFNSA-N 443.547 0.854 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 1318667861 NGCJWJZHZPOODX-UHFFFAOYSA-N 444.510 0.938 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 1322650206 KVWPSBFWUMFCEX-UHFFFAOYSA-N 436.332 0.230 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(Br)cc2)nn1 1323723867 ZMWSXHDSKJNQJM-VIFPVBQESA-N 428.268 0.226 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840821 ZHGCPVBIVANBKC-BOWAJMLGSA-N 428.327 0.825 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1779030996 LRXLGXNBMCNCTG-QFIPXVFZSA-N 444.536 0.005 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877023 MVMKSPQNVVXFLV-DLBZAZTESA-N 430.292 0.255 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781223935 FRBLYPIIVUOAFQ-CVEARBPZSA-N 427.350 0.959 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782311688 FUHPVXDIQFLWCX-STXHMFSFSA-N 425.913 0.833 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1783666660 PSMQONYFLRSLMK-FQEVSTJZSA-N 446.617 0.738 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783980812 GVQZNDUITNGIHF-ZIAGYGMSSA-N 434.242 0.731 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083579 CJWIMMPSDIFMMR-GVRJEKJASA-N 447.960 0.727 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406410 RCAUPLOTLLDLPL-NOLJZWGESA-N 426.311 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660697 GVHYQURHIDQWTJ-MITNFZOXSA-N 431.917 0.749 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N(C)C)nc3)[C@H]2C1 1789026276 FDWOLLMBPVNSLF-BZSNNMDCSA-N 446.552 0.114 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1F 1789518578 JSUHNLMSYYKWEG-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N(C)C)cc3)[C@H]2C1 1789588011 XLYAHDUUTAVBFI-IHPCNDPISA-N 445.564 0.719 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789870484 JGRHDBQAWLQLKP-NTIKPUAMSA-N 437.368 0.910 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790293577 BZSCKNZGKGFDOV-BHADISHBSA-N 441.868 0.802 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1790963845 MENZUYAOIGAILX-FQKPHLNHSA-N 428.331 0.992 50 20 ICGD COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccccc1 1792800315 FILFCZGAMPXSGL-BQJWPVKWSA-N 439.896 0.273 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793466119 DVPCQEWJAYKGCA-JJLQDPRZSA-N 439.463 0.570 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1795116490 MIGXJCCJMNNKMG-DFGXFYAUSA-N 425.323 0.965 50 20 ICGD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1795722934 KKYUYXVRFABHMI-CSHUHZATSA-N 448.476 0.721 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1796441418 HQWMLMGDMLEDHA-FSWGRJFZSA-N 444.536 0.052 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346849 CLWZZRFKMLDUSP-OPDFLTKYSA-N 440.273 0.931 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cc1O 1800831170 ROGRFQHVPBBQEA-BJWYYQGGSA-N 445.520 0.975 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1800978183 NZSRYMGOEUPTCR-KYZVSKTDSA-N 436.896 0.512 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C)[C@H]1c1cccnc1 1803178264 QIHXKATXCGCKFL-CNNODRBYSA-N 444.580 0.945 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1 1803653316 QBDOWWMHQWDKMX-YILSLVNCSA-N 437.280 0.973 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccccn1 1805441810 YKSPFXSKBUEJKF-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccno2)[C@H]1c1cccnc1 1805631958 VSNWMXRCYACTJA-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1806346231 CQZADFGLWSUMCV-IFXJQAMLSA-N 449.305 0.797 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cnn1C 1807361430 AMNIINSSDYAXDO-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807362753 IXWZLSJEUMWTNK-DYESRHJHSA-N 447.304 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809777733 VOAASIWKXDGWON-UHFFFAOYSA-N 434.585 0.872 50 20 ICGD O=C(Cn1ccccc1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967109 VCLGIQJMVZJJBO-UHFFFAOYSA-N 437.305 0.073 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812310631 BTKIWZZQAAYGOE-PBEJRMEISA-N 438.337 0.421 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(F)c[nH]1 1812912883 FGRJJSFDJNGABL-OXJNMPFZSA-N 436.252 0.862 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813033367 MFPUOUSZDXGGHM-VOGPDBBUSA-N 441.912 0.957 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCSC(=N)N)[C@H]1c1cccnc1 1813070487 HWJNXLVRSVAXGH-BEFAXECRSA-N 449.581 0.477 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)o1 1813071039 MIJKSIBIWIURLO-HRAATJIYSA-N 443.508 0.395 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C)CC2 1817276701 AXTKXFJBSCJFKY-IVWKQIGUSA-N 431.522 0.751 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474797 GEPKKANEBVUWTF-KSSFIOAISA-N 427.314 0.736 50 20 ICGD CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)COC1 1819400381 GYDIFXPSLBPXQU-OAHLLOKOSA-N 427.465 0.751 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819579749 NTPPCPGPECWSDO-CXAGYDPISA-N 439.281 0.086 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1cnnn1 1822864404 SQROCDSKTPITJX-JSGCOSHPSA-N 432.489 0.023 50 20 ICGD O=C(CC1(O)CCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1823036797 BDFWDGJFDRPOQT-KRWDZBQOSA-N 426.282 0.701 50 20 ICGD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051161 ORYZNBNYSUIDEP-HXUWFJFHSA-N 432.326 0.263 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060579 RBNFSFIQBUQKEB-UTKZUKDTSA-N 429.370 0.940 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1830537414 HJUROHYKSNLAJS-CXAGYDPISA-N 429.315 0.521 50 20 ICGD O=C(c1cc(C(F)(F)F)c[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728126 PTKSVIOMDPJWEV-CZUORRHYSA-N 439.818 0.703 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830970551 APLYQTHQKSVXCF-VKJFTORMSA-N 443.342 0.932 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831646647 MPGHTVNWMGHLQS-SJKOYZFVSA-N 429.861 0.795 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832204015 BSDGHVCWENRSNE-WMZOPIPTSA-N 425.848 0.422 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1833824461 PAALNFVCPGYGRY-CZUORRHYSA-N 447.261 0.373 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)CC1 1834848342 WEHYQIJQDXFDSS-GOSISDBHSA-N 425.961 0.788 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835680299 HGKFTYUXEWNMSG-MOPGFXCFSA-N 449.379 0.961 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835847143 QBWQGEPQHYEYKB-ZBEGNZNMSA-N 447.355 0.969 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837402162 DRKGFXHVXCEUMZ-QWQRMKEZSA-N 433.343 0.799 50 20 ICGD COC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837663705 QXKJIQWDAQRYCO-UHFFFAOYSA-N 440.541 0.311 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838880864 OZGMLNBWXVHGDT-VLIAUNLRSA-N 442.896 0.374 50 20 ICGD COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197741 HLSNPWBLXJIYCJ-HIFRSBDPSA-N 425.251 0.087 50 20 ICGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203558 OSZLLGIMDVBBJG-WBVHZDCISA-N 447.305 0.810 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1839961987 POZZWDCXWVULLK-DAYGRLMNSA-N 448.358 0.531 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1839963608 QFOXEGXLLDDWQQ-RHSMWYFYSA-N 429.315 0.513 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189576 YTGDDQGVHABANC-SFHVURJKSA-N 430.288 0.659 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359829 QAXLIJRZQZCKDR-PBHICJAKSA-N 444.330 0.298 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841054515 KCOCDLNAQLVOFQ-XJLNDYEXSA-N 426.477 0.182 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841634780 BWRWSCLBNXXCRI-FXAWDEMLSA-N 445.564 0.943 50 20 ICGD O=C(Cc1ccc2c(c1)CCCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011238 HWHZERWCYNURPG-UHFFFAOYSA-N 434.301 0.751 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)co1 1844264408 PKUGXAQNWWVKLW-UHFFFAOYSA-N 441.564 0.954 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301416 MOEZRSPNXYQJBH-TVSCDJBNSA-N 430.465 0.031 50 20 ICGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 11429256 ADKZPZDEUIDKDA-UHFFFAOYSA-N 430.373 0.338 50 20 ICGD CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 725909065 ANDWRFUHZWUIGI-LDADJPATSA-N 430.486 0.875 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 728076851 KFSZILNKUKTIKA-UHFFFAOYSA-N 435.491 0.954 50 20 ICGD CCC(CC)N1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 728328082 FTJRJKKHFZELMR-CXAGYDPISA-N 433.461 0.554 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 731489689 DIXUMDRCEBQJIU-UHFFFAOYSA-N 428.430 0.246 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 745067538 QZEWAMLJRRESKO-UHFFFAOYSA-N 425.376 0.845 50 20 ICGD Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 746621258 XPDJWKHGHLQHRH-UHFFFAOYSA-N 431.879 0.975 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 746827239 LULPYIRWMUYFJF-CQSZACIVSA-N 442.501 0.830 50 20 ICGD O=C(Cc1ccncc1)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 747673103 UURKIQYRTBQMJH-UHFFFAOYSA-N 435.531 0.663 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 751229721 BOAYUMKJYSHNEN-UHFFFAOYSA-N 444.433 0.543 50 20 ICGD CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 753030431 GVYVAZDKGXAUFB-AZYRPFHASA-N 443.493 0.039 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 753299285 QACDADXAWSMIHH-GOSISDBHSA-N 427.461 0.991 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)cc1 755536472 UFJDIFJGCLKNTD-UHFFFAOYSA-N 433.446 0.972 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Nc2ccn(CC(=O)N(C)C)n2)c2ccccc2c1=O 756311690 SGDPKDVDEDJMDD-UHFFFAOYSA-N 440.464 0.729 50 20 ICGD NC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 757738139 JMNZCWBQDKDHMJ-UHFFFAOYSA-N 432.462 0.432 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)n[nH]1 763155498 UMYIVGMZGGUACP-ZDUSSCGKSA-N 425.449 0.762 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 763532914 XGZSPQNSMFDDIS-DARAHFNDSA-N 449.508 0.429 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cc21 763840344 SZPLNTJNHNHAHW-UHFFFAOYSA-N 429.408 0.987 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2I)n1 763880454 FSMSZDRSEZXRPQ-UHFFFAOYSA-N 441.229 0.891 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 763886319 SRBSDLHLTFGFAX-HZPDHXFCSA-N 428.493 0.900 50 20 ICGD COc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763997401 KRIKBBKGWSWXRF-SECBINFHSA-N 448.295 0.287 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 764002502 NKYRPLUSQIZJAK-ZDUSSCGKSA-N 432.458 0.703 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 764081805 JWWOAOMCMBXICD-AWEZNQCLSA-N 439.538 0.145 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(O)c1 764105772 XZBCJVACPHZHJH-UHFFFAOYSA-N 426.473 0.975 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)CCc2ccco2)CC1 764166518 NEBHTKFIWBKICN-UHFFFAOYSA-N 427.461 0.386 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764169026 SALZQGDNSODRHU-KRWDZBQOSA-N 442.384 0.846 50 20 ICGD C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227797 RUZFOUHQOCVNDD-GHMZBOCLSA-N 427.508 0.104 50 20 ICGD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230323 HFVOSQOOWASTAK-GFCCVEGCSA-N 428.511 0.334 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 764230419 HYLMHQTZDJYUGW-LBPRGKRZSA-N 444.473 0.049 50 20 ICGD C=C(C)Cn1c(SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 764615024 KSVOUJHLUPKTAG-GFCCVEGCSA-N 439.519 0.788 50 20 ICGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 765071457 YQJCQIQJEGGUIS-UHFFFAOYSA-N 439.538 0.383 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765119142 QWVSRBADUPMUDF-UHFFFAOYSA-N 444.513 0.657 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 771221635 YFSFQPAPZXQXTP-OAQYLSRUSA-N 440.412 0.652 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 772095577 KMECDXXMCAUNPW-STQMWFEESA-N 428.511 0.548 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1S(=O)(=O)NC(C)C 773086226 COPLCCRAHUMAEQ-UHFFFAOYSA-N 449.489 0.810 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 773640395 YLXTYLWGNWBXJJ-UHFFFAOYSA-N 443.416 0.914 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1C(F)(F)F 775212204 NNWIXCXWOKYRKI-UHFFFAOYSA-N 436.412 0.562 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)n1nnnc1C(C)(C)C 777792514 RHLIYODPCIEJDI-ZDUSSCGKSA-N 449.537 0.777 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 778482812 PHRNYBOINIYBRC-UHFFFAOYSA-N 427.377 0.440 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCn2ccnc2C1 779663972 LMVXLMKZTULBEN-HNNXBMFYSA-N 432.506 0.627 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1csc(N2CCOCC2)n1 781934329 RILXQMXZTSZBQO-HNNXBMFYSA-N 446.445 0.842 50 20 ICGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(C)o2)CC1 782123728 JMPAMKPJPKSSMM-UHFFFAOYSA-N 427.461 0.652 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cncs3)CC2)cc1 782686816 PXGQUCDWRPPPCY-UHFFFAOYSA-N 437.547 0.148 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc21 782897675 SBHSIQLDTIYOLY-UHFFFAOYSA-N 430.490 0.372 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ncc(Br)cc1Br 783845538 HSEDRYPZJSKART-LURJTMIESA-N 428.106 0.994 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1C 784950307 ZYSBLBDZTDAELN-DHDCSXOGSA-N 440.460 0.675 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2cc(F)c(F)cc2I)c1=O 785086488 QJOZMHOTMUXSTC-UHFFFAOYSA-N 449.155 0.745 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)C1CC1 786056777 QVCOJOCXTUEBAN-LLVKDONJSA-N 436.412 0.175 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)Nc1ccc2c(c1F)CCNC2=O 793024108 ZAONUZYVRSLHOL-UHFFFAOYSA-N 436.403 0.901 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797715381 HWVIUWAYBJWUBE-FQEVSTJZSA-N 428.470 0.774 50 20 ICGD O=C1CC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)(c2cccc(Br)c2)C1 798153662 YVMLYVCEDVTOPJ-JTQLQIEISA-N 429.292 0.632 50 20 ICGD CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(CC(=O)NNC(=O)C3CC3)CC2)C1 802021424 TVEWXHMNQDXEEU-UHFFFAOYSA-N 447.540 0.766 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 802061757 TWZQYSHIJHGCFI-NSHDSACASA-N 435.462 0.314 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 806977872 CMLCZFAZVKITKN-DLBZAZTESA-N 447.451 0.355 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 807514659 MGFZNPKJIDJSBZ-MQVJKMGUSA-N 433.509 0.731 50 20 ICGD COCc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)n1 811025428 DFGGQTZMAFHQJS-UHFFFAOYSA-N 425.858 0.574 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 811830819 HRVNPAUQUVBSCI-UHFFFAOYSA-N 449.872 0.870 50 20 ICGD O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NNC(=O)[C@@H]1CCc2nncn2C1 814271600 MJSIPHAYSGOCKU-CYBMUJFWSA-N 439.432 0.688 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cnnn3C)CC2)cc1 816769272 ALKQCHUZNHIRCF-UHFFFAOYSA-N 436.494 0.536 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)=NN(c2ccccc2)C1=O 915190512 AABAWXGRHHOOJL-GFCCVEGCSA-N 433.428 0.033 50 20 ICGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 915804970 TXSNHSQBZHOUOX-UHFFFAOYSA-N 430.553 0.740 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 916229195 UGZCAHHAKPVEEU-UHFFFAOYSA-N 431.474 0.517 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccccc2Cn2cncn2)c2ccccc2c1=O 916393826 NRBYPLUQHXQTGN-UHFFFAOYSA-N 432.444 0.718 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 916485811 HNSOKKYLOQAXGJ-UHFFFAOYSA-N 430.490 0.555 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 916645114 DGIIYMQTJXZFDJ-UHFFFAOYSA-N 431.474 0.387 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(OC)c(OCCO)c2)c2ccccc2c1=O 918676808 QQRVERACQTUNGF-UHFFFAOYSA-N 426.429 0.871 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1320907723 BXCVNGSFLTXSDY-ZDUSSCGKSA-N 444.893 0.868 50 20 ICGD O=C(c1cn2cccnc2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778477970 AUUUFDGIILJFJT-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778722069 OQYMCVMLOFHMCE-HXUWFJFHSA-N 448.549 0.521 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)no1 1779121053 XMWXVTCWXXKDCC-IBGZPJMESA-N 426.901 0.808 50 20 ICGD CC(C)n1nccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779604306 HCRCEXLXJZNEJU-NRFANRHFSA-N 441.492 0.220 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940049 DBCSXAGHPWFGEP-QAPCUYQASA-N 427.841 0.998 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782179972 PEUBODMYBSREEY-FZXHUISKSA-N 435.550 0.953 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782605973 FIVAXXBTESCVHI-VPWBDBDCSA-N 429.319 0.531 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783532134 DOTKNZAZCNTYSZ-MAUKXSAKSA-N 431.375 0.237 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1783878273 CIXPPWHKBJUOOR-BIENJYKASA-N 433.933 0.983 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934566 ISCQRLFMQHQNCY-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404722 LUPHHPOPRBHOAW-DCAQKATOSA-N 432.344 0.958 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789870616 QRIUWUHKACECKC-PQKJENKHSA-N 438.352 0.354 50 20 ICGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](F)Br)C[C@@H]43)(C1)C2 1791019147 GAVKMQPNFLBOIQ-JWCBNWSFSA-N 447.301 1.000 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]3C2)nn1 1791058851 JKEKSDPMPHMALY-UHXUPSOCSA-N 427.299 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21 1791291196 OINWIHIRCJGSDX-MPGHIAIKSA-N 444.492 0.189 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740510 CYJWIWMMQLHVGX-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnn2ncccc12 1796275227 BXBHPOBAIGVTHK-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1C 1798970416 YIASCZWKWXNQFT-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)c(=O)[nH]c1C 1799275905 FUMFJSGPLUYGNH-SJBDTSRBSA-N 431.320 0.826 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346502 AOWWCOGXHWDCQO-ZIQFBCGOSA-N 425.251 0.828 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1799354509 SLMYWOQZZHOCGF-QRJUGERDSA-N 447.960 0.869 50 20 ICGD C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)n[nH]c21 1801011187 MZZZRVFGMNTPET-PJHJGJPPSA-N 432.525 0.036 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1804358674 XSVHFIJIJKZDHK-WKCHPHFGSA-N 449.316 0.357 50 20 ICGD COCC1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CC1 1807365223 LRJOOHWYMGCSQV-QUCCMNQESA-N 437.305 0.508 50 20 ICGD Cn1cc(CCC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cn1 1809966569 FVRXNLZSFBSBRU-UHFFFAOYSA-N 438.337 0.578 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1c1cccnc1 1810295018 PEVSVFOMIAWWIV-KSSFIOAISA-N 434.460 0.437 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295626 UONVIJDWWCORRV-JXFKEZNVSA-N 440.504 0.826 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813072779 FKCPIJBCTRUTPE-APWZRJJASA-N 445.520 0.414 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814873655 SYDUFQCYGVGXGC-ILXRZTDVSA-N 444.872 0.496 50 20 ICGD Cc1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815339385 CDLSPGNJGNWUBF-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CCOCC1)CC2)c1ccc(B(O)O)cc1 1815339426 FKTRYKXPFIUHHK-OAHLLOKOSA-N 429.307 0.475 50 20 ICGD O=C(CNCP(=O)(O)O)Nc1cc([C@@H]2CCCCN2C(=O)C(Cl)Cl)[nH]n1 1817234596 BVDURZVQSKFYEQ-VIFPVBQESA-N 428.213 0.930 50 20 ICGD Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)no1 1819923823 CJZYRSCTVHEJCR-CABZTGNLSA-N 441.897 0.381 50 20 ICGD CC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[nH]n1 1821942620 FULJCVPTSWUWQJ-SOAGAIGUSA-N 442.480 0.672 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(O)c1)CC2 1826089728 MPGSDLUEUBWNQQ-GFCCVEGCSA-N 432.506 0.843 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1830537383 GCKPDQHCVMDJNY-KDOFPFPSSA-N 434.375 0.862 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830537995 SYUCNWYXNITPJN-WMLDXEAASA-N 429.315 0.371 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1830546910 XKDVCVIPDXZHSG-KDOFPFPSSA-N 433.343 0.779 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727878 JAIAYFXLMDQZSQ-DYESRHJHSA-N 449.891 0.610 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831830237 NOTDRJQFJDXODQ-MOPGFXCFSA-N 436.745 0.854 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833734772 BVTLADBNKCNMTB-KRWDZBQOSA-N 447.305 0.966 50 20 ICGD O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834621307 SIMAOZGZYBDQAS-QGZVFWFLSA-N 449.365 0.581 50 20 ICGD CC1=C(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCO1 1834797968 QVCKYUCQOPPQPK-UHFFFAOYSA-N 441.337 0.246 50 20 ICGD Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834826355 MHFUBPBJEPNTTN-KRWDZBQOSA-N 429.315 0.204 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837288896 JJHRPJMMHJMGJB-DBDOFBCQSA-N 444.370 0.566 50 20 ICGD O=C(c1ccc(CO)o1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837970135 DCLRYPDKPXELIL-CZUORRHYSA-N 435.246 0.532 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838827577 WAGYKDJTGOEESZ-DOMZBBRYSA-N 449.233 0.683 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197695 FTLNTNSYXJCBBQ-XJKSGUPXSA-N 432.246 0.081 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)ccn1 1839200335 IVUSFCLLIWDORG-PBHICJAKSA-N 446.273 0.851 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839647394 BJAXPUUHVVVHJX-XATQLNLPSA-N 427.574 0.334 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840064341 GQZDVSIRGPSXBV-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844498615 IYNDJFLKGHWZSM-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 17406581 JQUHPUYQIWYLNX-HNNXBMFYSA-N 436.534 0.554 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 725740129 CDUHONLPPWCEQM-KRWDZBQOSA-N 435.440 0.593 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 728851038 JXQVBRBRSLGITF-KRWDZBQOSA-N 447.473 0.923 50 20 ICGD COc1ccc(CNC(=O)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728961753 NUBLSLNAXATYNZ-UHFFFAOYSA-N 441.492 0.348 50 20 ICGD O=C(NCCOCC1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 731118956 KEMBXXRXECAARW-UHFFFAOYSA-N 426.495 0.078 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732264258 RRNBAFQHLOZMBN-ZIAGYGMSSA-N 427.509 0.797 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNc2nc3ccccc3c(=O)n2C)c1 733263119 IUQAMNFPUANLRI-UHFFFAOYSA-N 431.474 0.615 50 20 ICGD COCC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(C(F)(F)F)c1 735613328 ZZGNJTHZSJPBCQ-UHFFFAOYSA-N 445.423 0.757 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)NCCc2cccs2)C(=O)C1 741212566 RDWGMZIIYRUCLR-UHFFFAOYSA-N 425.511 0.700 50 20 ICGD CCc1nsc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)n1 743589669 VZKOSJFGPBIDIP-UHFFFAOYSA-N 445.553 0.670 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CSc1nnc(S)s1 747348193 LZTXXHMJDKZTQO-UHFFFAOYSA-N 432.578 0.982 50 20 ICGD O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NNC(=O)C(=O)N1CCCC1 748448471 YYSNDUIZHLMPQU-UHFFFAOYSA-N 433.778 0.854 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc(O)cc3)CC2)cc1OC 754638937 LJMRRZZOOLFOGG-UHFFFAOYSA-N 442.472 0.628 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 755846654 MZEVWTOFKAHXQY-UHFFFAOYSA-N 426.433 0.426 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccnc(-c3ccccc3)c2)n(C)c1=O 757806485 BIZIWWLRSYCCTQ-UHFFFAOYSA-N 448.443 0.349 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762475988 WTEVQKITMPENBW-UHFFFAOYSA-N 436.284 0.762 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)NC(C)(C)C 763461677 AEKZWWMKWUCDQE-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCCC[C@H]1N1CCOCC1 763539836 XCEKFHFJBZPHDA-GOEBONIOSA-N 438.554 0.567 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1 763558900 NEYIDZJOYLUKDO-UHFFFAOYSA-N 429.385 0.675 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763578795 QFEWDINOPCJUFR-INIZCTEOSA-N 447.411 0.373 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 763657790 RSFVNHAYSPENFV-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 763684164 GHLHEVMVCAUWOV-UHFFFAOYSA-N 444.444 0.884 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 763871680 HCLXWSZWUSMDRI-GFCCVEGCSA-N 430.417 0.866 50 20 ICGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763884213 DCWKLDVEUYQRRT-UHFFFAOYSA-N 433.490 0.692 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 764029546 UNROZQMCNUDYKE-UHFFFAOYSA-N 434.456 0.644 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cccc21 764162782 GFDCMLRDBUGSMF-KRWDZBQOSA-N 444.469 0.098 50 20 ICGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)CCc2ccccc2)c1 764186086 VIQCDMGTALVPCE-UHFFFAOYSA-N 434.456 0.998 50 20 ICGD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764303619 PGRSJVLKTXVCLP-UHFFFAOYSA-N 434.474 0.634 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 764368221 SRZYUGGWGOUJEC-UHFFFAOYSA-N 427.461 0.652 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCSC2 764431915 GDABNGWBFHMWGE-SNVBAGLBSA-N 443.503 0.215 50 20 ICGD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1 764433570 NMNWFXRWLOVYNV-UHFFFAOYSA-N 433.808 0.880 50 20 ICGD CC(C)(C)OC(=O)N1CCC(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 765665236 GLQLAIWJNXUMAK-AWEZNQCLSA-N 432.543 0.931 50 20 ICGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643720 RRMLOSAQIBQMKI-HKUYNNGSSA-N 432.521 0.566 50 20 ICGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 767191946 NKFMIOJBMIPGMI-UHFFFAOYSA-N 431.536 0.445 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 768630196 UWXDCZGNMLAMNK-LJQANCHMSA-N 432.458 0.910 50 20 ICGD O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 772809155 DSOFMVQBTSLLLY-IBGZPJMESA-N 428.464 0.855 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776836905 VZJSYAKLFQRFNP-GJZGRUSLSA-N 425.530 0.476 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)cc(Br)c1OC 779845558 QJXDQHWXLVKLBH-UHFFFAOYSA-N 430.664 0.777 50 20 ICGD COc1ccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nc1 781536242 WEWFYBXIZJMSRP-UHFFFAOYSA-N 435.506 0.934 50 20 ICGD CC1(C)OC[C@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 783278401 ZZSBPUWQBUNHFA-AWEZNQCLSA-N 426.495 0.567 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 783999131 KDLIPTPNSKDTOR-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003254 CMEULSOTCMZNDS-LLVKDONJSA-N 447.473 0.237 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 784003872 QTMZUPXBIWDFDA-LBPRGKRZSA-N 432.458 0.432 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)c1 784976628 SOJHLDPNAQFZOK-INIZCTEOSA-N 446.485 0.878 50 20 ICGD Cc1nc(Cn2nnc(C(=O)NNC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c2C)no1 785181456 ABRQYKUPZWRSIG-UHFFFAOYSA-N 425.384 0.930 50 20 ICGD COc1cc2c(cc1S(=O)(=O)NNC(=O)c1cc(Br)c[nH]1)OCC(=O)N2 797428779 GOOHFOPLRQJINW-UHFFFAOYSA-N 445.251 0.740 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)ccc21 799258688 GFQTWVPHWMVVLR-UHFFFAOYSA-N 430.442 0.626 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c(OCC(F)F)c1 810386876 VPYJNNOZERGZLW-HNNXBMFYSA-N 448.382 0.519 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(-n2cnnn2)cc1 914751698 LWGVDVWCMWOSJE-UHFFFAOYSA-N 431.434 0.115 50 20 ICGD O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 915901609 KBEVAGSPXMGIJJ-UHFFFAOYSA-N 449.519 0.424 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)NC2CCCCC2)c1 916559614 UMUPRYQWALRWCE-UHFFFAOYSA-N 425.511 0.330 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cncc(OCC(F)F)c1 1116318544 MWEWEJZKPGOZME-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)cc(OC)c1OC 1322617577 NEBOEPAAUVKMHE-NSHDSACASA-N 430.479 0.456 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1 1779030615 DIOATYJNDRYCEM-JOCHJYFZSA-N 441.463 0.510 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782407474 FBCCKQGLIMGTEM-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD COc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1783776879 UGYPUKVYOCNXTI-MGHWNKPDSA-N 426.897 0.653 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783874358 DHSKFRJKZQEKGA-IIBYNOLFSA-N 448.907 0.863 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cccn3)C2)C1 1784518879 VQDKTXDXEQSQST-SDHSVNELSA-N 441.492 0.408 50 20 ICGD O=C(CCc1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785348356 IYZCSKLMCUPUET-VDGAXYAQSA-N 426.278 0.186 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786647828 IDUOPAFLXIYBHK-RVMXOQNASA-N 425.345 0.184 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 1788610734 RMAVOQJHZZQPQL-PJODQICGSA-N 430.490 0.049 50 20 ICGD CCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610776 UKTZXEZRMJXXDY-IWEFOYFVSA-N 442.476 0.143 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1OC 1792722537 KMPJWLWQKFUPLW-NXEZDXNNSA-N 426.897 0.917 50 20 ICGD CC(C)(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1793012290 PCZPKBWLPXGPMQ-FQLMCAECSA-N 447.960 0.869 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1793446712 KCCPHSCXJFEHHC-NDPMZMCLSA-N 444.941 0.449 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793453531 BVUIZRNNFAMXEY-NTPMPSRCSA-N 430.509 0.673 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)ccc1Cl)C2)c1ccc(B(O)O)cc1 1795736246 RFABBHKTLPVCTA-HBCWATKFSA-N 446.671 0.676 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436788 ZWYKDOBWARROJJ-IVSAIRAKSA-N 435.974 0.409 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnc1)C2 1796439435 DGAMPCPEYVLSBL-HYWQPGETSA-N 441.492 0.168 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1)C2 1796445496 CIAUWUKAMDLRAJ-WGCSPTNMSA-N 433.534 0.606 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)C1 1799199232 JMXOAILFTFYOSH-ARSDKDGVSA-N 449.907 0.338 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(NC(=O)C2CC2)cc1 1799438084 POTNVKTYRCDGCQ-MVJTYMMSSA-N 435.908 0.838 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnco2)[C@H]1c1cccnc1 1803863276 QPSJNAZGHPNADY-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807364057 RWHUFVQUAXZJQH-RXVVDRJESA-N 445.288 0.493 50 20 ICGD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1 1807612962 AQFNFFKXQCAJCV-UBHSHLNASA-N 426.250 0.465 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(=O)oc3)C2)CC1 1808864501 PSUPBVBBLHFNRN-UHFFFAOYSA-N 439.472 0.797 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2(F)CC2)[C@H]1c1cccnc1 1810305301 JYXADJRNXQNPMD-YOEHRIQHSA-N 426.452 0.902 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810359217 NQJMIVUUUXGYPF-DEYYWGMASA-N 431.320 0.542 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1813074057 OFCGWKDBXACVQK-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813437304 WCZMWQMTOBQIOB-LAUBAEHRSA-N 442.524 0.142 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817470034 GIYYWRDZWHOAIS-QFBILLFUSA-N 438.249 0.722 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)o1 1817470946 AJOSTJVFODMLIM-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817475655 QHTGOGCEQRINKW-CSHXORCISA-N 446.276 0.899 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819363518 GPBPCWLNOZJJSR-ROUUACIJSA-N 440.309 0.969 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)c1 1819402195 UDIRUNQFBBDEEM-INIZCTEOSA-N 437.464 0.761 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819591984 RWKCQUGMSVAWIW-ZDUSSCGKSA-N 436.545 0.805 50 20 ICGD CC1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)COC1 1819791792 SCYNBSWCIRDIRI-JTQLQIEISA-N 430.490 0.404 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825636415 UXYNZPVOKNQIFU-HTQZYQBOSA-N 444.311 0.390 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1826634316 IHQSFYLRLDUWNB-CQSZACIVSA-N 440.290 0.588 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccnc2)CC1 1828925796 SJYDFZROILUWCM-IBGZPJMESA-N 439.520 0.815 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831433867 WQCICONZRVLVIY-IFXJQAMLSA-N 444.536 0.443 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833214288 QLYDTSWCRMWGRS-UHFFFAOYSA-N 449.788 0.817 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830976 ODPGLYQJTUSUON-INIZCTEOSA-N 429.271 0.037 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1834121936 PWLIYZLQLZHWSM-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n(C)n1 1834158498 PFBHBOGMGGARLW-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819645 SIJSKEXOJNJAHW-GOSISDBHSA-N 442.310 0.945 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835798173 OLTLLGNMULNBLX-MEBBXXQBSA-N 433.328 0.579 50 20 ICGD O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836799426 MQVNWIKWSFYTHP-YLJYHZDGSA-N 439.871 0.977 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccnnc3)CC2)CC1 1837430779 YXFXCOHBJIOTPM-UHFFFAOYSA-N 432.525 0.462 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839618 NZCCVSVYWYYFIH-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840434213 UGYPMYPHVAWQKF-RLFYNMQTSA-N 443.342 0.759 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592539 QTBQLLAYYXEBJY-KBXCAEBGSA-N 433.343 0.779 50 20 ICGD O=C(C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)cc1 1841332290 WWEWXJOCKXCLMK-UHFFFAOYSA-N 426.665 0.720 50 20 ICGD O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350389 ZDNNIAVLPKGJCL-INIZCTEOSA-N 433.892 0.866 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841351294 KLEBUGFCYCXFBB-HUUCEWRRSA-N 445.944 0.816 50 20 ICGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)CCBr)C1 1842637411 MSFCVIZTVIDQQE-NSHDSACASA-N 439.310 0.981 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnnc3ccccc23)C1 1843678611 QXHKNLWDFXURMD-UHFFFAOYSA-N 431.456 0.759 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CS[C@@H]1CCCCO1)C2 1844264320 GASHVCZPQFPLFJ-QGZVFWFLSA-N 433.534 0.762 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2c(F)ccc(O)c2F)C1 1845470814 YNRXLLWVAYFOIA-UHFFFAOYSA-N 431.399 0.800 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)C2=O 13082349 KPEVIVKBOATAPB-ASSNKEHSSA-N 440.460 0.840 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 19427249 COIXBQCXPGFHCW-UHFFFAOYSA-N 431.898 0.706 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 725909278 IMUPUBRCBLQPLD-QGZVFWFLSA-N 433.440 0.820 50 20 ICGD CN(C)N(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 728178976 FZBXRNACZIVSMD-OAHLLOKOSA-N 435.543 0.719 50 20 ICGD O=C(NCc1ccc(Cn2cncn2)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728942368 PZOJLULDQPTNNL-UHFFFAOYSA-N 435.492 0.863 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)cc1C(=O)N(C)C 734414907 PVQHXXLXDUIZTN-UHFFFAOYSA-N 431.474 0.976 50 20 ICGD Cc1cc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)nc(C)n1 736716913 VSZCOIYOWVYWEL-OAHLLOKOSA-N 441.535 0.318 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 744621802 GRXJKDJFGHVHRA-OAHLLOKOSA-N 448.501 0.792 50 20 ICGD CS[C@@H]1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 745898342 XGGVTCHWWOLPEL-ZIAGYGMSSA-N 428.584 0.928 50 20 ICGD CCn1c(NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc2ccccc2c1=O 746307875 CODSTDNNNBTRJI-HNNXBMFYSA-N 428.493 0.040 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@H](N(C)C)C3)nc2)CC1 749591766 SOPFIPMWSMFOTJ-CVEARBPZSA-N 439.586 0.517 50 20 ICGD O=C(NCCNC(=O)c1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 750330283 AKTXTKDJCLBNPS-UHFFFAOYSA-N 426.271 0.132 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cc2c(cc1Br)OCCO2 751205189 YKIQIVFCKZEXLI-UHFFFAOYSA-N 438.234 0.933 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)NCc1ccccc1 751616623 FNLJHDZNRHGDOX-UHFFFAOYSA-N 444.513 0.857 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2nc3c(s2)COCC3)cc1 756627987 KAYOYVYDKRJBNF-UHFFFAOYSA-N 439.519 0.998 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 756825356 UMHVOHZTELZIDD-NRFANRHFSA-N 444.513 0.977 50 20 ICGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 760335484 QGPWMADFCLIMRO-INIZCTEOSA-N 426.472 0.630 50 20 ICGD O=C(CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1Cl 762224081 VTOJCZXSPLSKRO-UONOGXRCSA-N 429.926 0.769 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2cc(C)[nH]n2)cc1 763121164 YHFWTGWVBNTZTR-QGZVFWFLSA-N 433.490 0.925 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c(C)o1 763580712 WUVQQZQHUVESME-UHFFFAOYSA-N 427.461 0.684 50 20 ICGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763675360 VFGHBGVATLXOHA-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 763734377 KFIOHWZWQRCDCY-UHFFFAOYSA-N 430.509 0.664 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)n1 763795508 CTAQAYAURVMPFO-UHFFFAOYSA-N 447.473 0.280 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nn1-c1cccc(F)c1 763916764 KVKTXMHVAVFVRF-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 764138426 FCACMYOWNXBOFE-UHFFFAOYSA-N 433.486 0.611 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cc(F)c(I)c(F)c2)cn1 764363557 RNVONNAIFJVDSJ-UHFFFAOYSA-N 449.155 0.703 50 20 ICGD COc1nccnc1NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 764469363 JEZFNYONSYWKDE-GFCCVEGCSA-N 436.450 0.937 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 765320531 OOWHJYLBEINCBQ-OAHLLOKOSA-N 432.481 0.559 50 20 ICGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642297 LPZQXFKFZBWDLD-KRWDZBQOSA-N 429.521 0.239 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 771966346 OWKPBNZRBRQIBU-QWHCGFSZSA-N 429.470 0.716 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(C)(C)C 772022060 KHVQHLPRZALLHJ-LBPRGKRZSA-N 443.522 0.804 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCSCC1 772049185 TVWIYAFEMOUWNY-SNVBAGLBSA-N 435.549 0.588 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cn2)c1 773513849 YTORSOQKXKLMAS-UHFFFAOYSA-N 437.453 0.651 50 20 ICGD O=C(NCc1ccco1)NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 775276217 SYFCRULATIPWIS-UHFFFAOYSA-N 428.492 0.757 50 20 ICGD C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CS2 777832126 KCTSDTUPPYUDGU-GWCFXTLKSA-N 426.358 0.267 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)nc1C 778425096 KREUMISXSMFKLJ-UHFFFAOYSA-N 449.489 0.976 50 20 ICGD COc1ccc(OC)c2c1CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]2O 782147733 XNDMXWAEBAAUFD-HNNXBMFYSA-N 430.417 0.922 50 20 ICGD Cn1ccc2c(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cccc21 782897519 QDRCRFAFBFAAPF-UHFFFAOYSA-N 428.474 0.871 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 784002967 YNOLYAUHYORNMD-UHFFFAOYSA-N 444.629 0.606 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNc3ccccn3)cc2)C[C@@H](C)O1 784792964 NMEHOHHUFSDAEC-ZIAGYGMSSA-N 433.490 0.961 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 785329859 AGYCAZMECUVPKN-JTQLQIEISA-N 448.457 0.900 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 786733461 YPTZDIFIAWFLIN-UHFFFAOYSA-N 447.481 0.068 50 20 ICGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 789585012 VESTYYJUJZDYMC-QMMMGPOBSA-N 436.259 0.417 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc12 792855363 RPFHUBQFJJPKPO-VXGBXAGGSA-N 427.552 0.554 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cccc(C)n3)cc2)CC1 794074756 FVOJDTKQXUDWKR-UHFFFAOYSA-N 445.501 0.318 50 20 ICGD C#Cc1cncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 806273299 UTICVZDABKCCGF-UHFFFAOYSA-N 442.497 0.478 50 20 ICGD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 810580873 ITDLMTLSIVYPRQ-SOUVJXGZSA-N 444.554 0.787 50 20 ICGD O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)NNC(=O)C(=O)N1CCCC1 812560982 YRZOGJWAFMGBIJ-UHFFFAOYSA-N 442.476 0.508 50 20 ICGD CN(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)S(=O)(=O)c1ccccc1 914830613 KNHOHDAUQVLRKD-UHFFFAOYSA-N 429.458 0.660 50 20 ICGD CNC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916392507 ZUWMPVNBJGEDGH-UHFFFAOYSA-N 433.490 0.441 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 916646590 BMCYBNGIDGYXSB-UHFFFAOYSA-N 436.490 0.855 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 918002047 NEAINJMOWWTIRW-UHFFFAOYSA-N 449.508 0.784 50 20 ICGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2cnn(Cc3cccs3)c2n1 919888957 IPGMYNKVIDYCDD-LBPRGKRZSA-N 448.530 0.981 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1c([N+](=O)[O-])c(C)nn1C 920660066 GCFALNVBZVTQFZ-UHFFFAOYSA-N 425.785 0.917 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)CSc2nc3ccccc3o2)C(=O)NC1=S 920977804 NQIAUPFVISNOMB-CSKARUKUSA-N 435.487 0.314 50 20 ICGD Nc1cnnc(NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)c1Cl 1319406021 KRCNVBJMSWUCJN-UHFFFAOYSA-N 441.720 0.958 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NC1CC1)N(S(C)(=O)=O)CC2 1321783620 NHTMMWUXQQWYEL-CQSZACIVSA-N 426.495 0.446 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141364 XJZWRRKVLMDXKN-ZZPIQZKYSA-N 430.509 0.092 50 20 ICGD COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1C 1783936125 GQKKUMFNZJTORL-OAQYLSRUSA-N 433.509 0.215 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1784095066 CIUQXGUZGFTKIW-XLIONFOSSA-N 426.897 0.641 50 20 ICGD COc1cc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785000032 GKYVWLVPOVGPAP-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785307231 VANJPOWCFLEQRX-NXOAAHMSSA-N 425.913 0.602 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785650381 XJRNUROAODDAAJ-VWLOTQADSA-N 448.328 0.615 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979637 GJCVRSCARCODCU-BPUTZDHNSA-N 440.227 0.302 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786983288 MFUCMSZWSXAJSA-KNBMTAEXSA-N 448.288 0.150 50 20 ICGD Cc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1787578032 YJWXQMAXBNBNEK-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1787628276 FUMGRXJZEHZNIQ-YXWQFLTLSA-N 443.342 0.906 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3F)C[C@@H]21 1788610173 HSHTUMDWPXAFKY-IWEFOYFVSA-N 442.451 0.126 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1788757452 KXQDIFJELGJUHF-FQKPHLNHSA-N 430.343 0.830 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290819 OIURAETYULNIIY-QZWWFDLISA-N 425.530 0.140 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791627116 MXGUVYXKYTYMJH-XSLAGTTESA-N 447.536 0.202 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(F)nc1 1794022731 RBYDYELIUPTUEI-VPTLXERWSA-N 435.500 0.116 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ccoc2s1 1796116905 WCLMFZZPMWNFSP-JLVBRIDZSA-N 440.286 0.691 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1ON=C(c2ccccc2)O1)c1cccc(B(O)O)c1 1798325769 LURQYWHHTQZEJL-YWNPBTLJSA-N 449.272 0.353 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1800332920 BZGZWGQLGCKEQH-DRZPZYELSA-N 428.439 0.989 50 20 ICGD O=C(Cc1ccc(F)cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800661802 XCMYSCDARCQLII-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801348866 PNNSDXQYNPQQCG-OQMKEHIESA-N 427.299 0.619 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccc1 1802116725 UCHCPIOXQYGRCB-JFMONLCZSA-N 437.924 0.648 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1802844970 MPDXSYMJUPJNCG-RCSLCFTFSA-N 444.305 0.786 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1O 1810662838 YQGKHPIYAIMWDP-UTKZUKDTSA-N 446.272 0.495 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1812864729 PGDBZNFCCNXTNW-CORIIIEPSA-N 432.340 0.915 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCSC(=N)N)[C@H]1c1cccnc1 1813070490 HWJNXLVRSVAXGH-KXBFYZLASA-N 449.581 0.477 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1820706153 QQFKCRHDLVXDNV-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)Br)CC2)N1 1830377107 UOFASTOCFAZXQP-OUCADQQQSA-N 447.305 0.895 50 20 ICGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)[nH]1 1830534561 BODUOQUVOZJEEU-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719272 BMMDSZBGLAKVGT-LALPHHSUSA-N 427.723 0.074 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833240472 WWKHPFJPCPMZBG-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313555 KBFNQJZKGMSQGR-QZTJIDSGSA-N 430.977 0.463 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ncc(Cl)cn1 1834055820 RFJQTHDYJLRGNO-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572039 RCXMHHDVHXLMKF-KRWDZBQOSA-N 442.409 0.839 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837140817 GHUQSHSAJQNGMV-UGSOOPFHSA-N 442.925 0.374 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cncnc3)CC2)CC1 1837198975 OXUJZRVGXOKOFD-UHFFFAOYSA-N 446.552 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccnn3C)CC2)CC1 1837487866 JUSLUJNVVLFKST-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1 1838352192 DUPIPEAVCFIOKN-XJKSGUPXSA-N 447.261 0.246 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838742892 QZJNZFRPTOYSKD-NQIIRXRSSA-N 448.907 0.542 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839436387 RGOMRDDBLOTXKP-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839963251 FUUQJBOJKDCSDW-GUYCJALGSA-N 427.299 0.720 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1840150170 HDLIKYPZRUGXNB-KXBFYZLASA-N 446.331 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1840152673 PMPUYOOECMTSLN-DYESRHJHSA-N 448.907 0.954 50 20 ICGD N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccc(Cl)c1 1843011165 YKYOZAGDARLWQH-GOSISDBHSA-N 427.697 0.537 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 16498740 NJBICXATKOHBNY-UHFFFAOYSA-N 444.473 0.566 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3cccc(C)c3)C2=O)cc1 28581104 GOZGRSRMYSDTNY-QFIPXVFZSA-N 440.456 0.997 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 743578195 VEKKFFKDUJMNSE-OAGGEKHMSA-N 425.445 0.497 50 20 ICGD C[S@@](=O)CCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 745845887 DFYKUWXKNOKBED-SSEXGKCCSA-N 427.486 0.767 50 20 ICGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 745864238 MUNKRFMUXAIOQI-HNNXBMFYSA-N 442.538 0.857 50 20 ICGD O=C(COC[C@@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 746386230 PRERWXWARGYJRI-INIZCTEOSA-N 425.507 0.818 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c2ccccc2c1=O 749400229 VGVXHVXGVZQRLI-UHFFFAOYSA-N 429.458 0.280 50 20 ICGD Cn1cnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 752995117 ABHIRPAIDGIQSG-UHFFFAOYSA-N 443.485 0.669 50 20 ICGD CC(C)CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755531512 DMFKZWZAGGSGRO-CQSZACIVSA-N 446.551 0.741 50 20 ICGD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758031493 WGIXSRHVSFDBJI-CYBMUJFWSA-N 448.567 0.196 50 20 ICGD CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 758379128 BXWADAWCTOAKOK-UHFFFAOYSA-N 446.533 0.791 50 20 ICGD O=C(COC(=O)c1cn(Cc2cccc(F)c2)nn1)NNC(=O)c1cccc([N+](=O)[O-])c1 759443199 NVKQLFNURBKJLT-UHFFFAOYSA-N 442.363 0.992 50 20 ICGD O=C(CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 759895811 IAWAOMCBLDOGDU-MRXNPFEDSA-N 438.444 0.889 50 20 ICGD COc1cccc(NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 760497266 SSQABKOPTGHPJV-HNNXBMFYSA-N 435.506 0.763 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 763666223 XIKMQHDOHXULPT-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763679924 FHSGGJSRDLOYFY-UHFFFAOYSA-N 429.408 0.516 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc3[nH]ccc23)c1 763718133 HVVRDGLWAQPFRD-UHFFFAOYSA-N 429.458 0.818 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 763830786 AGFGJNWDPUKCQY-STQMWFEESA-N 426.495 0.226 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)n1 763881083 LIGPZVJIXYFUNN-UHFFFAOYSA-N 442.476 0.067 50 20 ICGD CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2C1 763942264 STTPLZMSQHNLRF-GFCCVEGCSA-N 446.533 0.981 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1Cl 764153075 IGNZBVJDNOXHNV-MRXNPFEDSA-N 447.831 0.981 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 764204027 HNCJNDHLGRDMTM-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cc(C)cn(C)c2=O)c1 764231241 GBZXEXODLXOLJG-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C1 764232671 SUXUYKSOLMCDAA-QWHCGFSZSA-N 439.538 0.070 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 764514500 MTLVSOPZAOISRI-YVEFUNNKSA-N 430.442 0.212 50 20 ICGD COCCOc1ccccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766639513 AKIXZXAXVDEQJA-UHFFFAOYSA-N 440.500 0.931 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cn1 770053395 RTXIKKYGWYLZAU-UHFFFAOYSA-N 446.436 0.791 50 20 ICGD CN(CCCC(=O)NNc1nc(O)c2cnn(C)c2n1)S(=O)(=O)c1ccc(F)cc1 770983704 QBBRSTKXYVUNKJ-UHFFFAOYSA-N 437.457 0.752 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 771304980 NNMVJMMDYRYILP-UHFFFAOYSA-N 439.519 0.530 50 20 ICGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)NNC(=O)CC 771914742 PQUJMLWJHAGHGC-JSGCOSHPSA-N 438.506 0.773 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CSc1ccccc1O 778037030 GNQCIYZDRUDPQR-UHFFFAOYSA-N 445.544 0.792 50 20 ICGD CCOC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 779845039 DEUMGCSORIOSHT-UHFFFAOYSA-N 438.256 0.291 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnc(N)nc1)N(S(C)(=O)=O)CC2 781587953 SQZNJRURUDZHNP-HNNXBMFYSA-N 448.505 0.475 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNc2ccc(Br)cn2)c1 784342045 XWFYICRKEKFSLT-UHFFFAOYSA-N 432.231 0.712 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)c1 786239650 QOOGHRUNKQAQJK-MRXNPFEDSA-N 448.863 0.792 50 20 ICGD O=C(COC(=O)CN1CCc2ccccc2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 789276764 AJESCHOXOWBZJG-GOSISDBHSA-N 439.424 0.216 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(O)nn1 790166783 UKTFABNXZVXFPE-UHFFFAOYSA-N 432.506 0.337 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 793225383 FFTKRJYNYMGUPA-UHFFFAOYSA-N 443.489 0.627 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)cc1C 794582619 QPMSJINQISPJGC-UHFFFAOYSA-N 429.476 0.241 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 795168182 IPLGCCKJHFTXPN-UHFFFAOYSA-N 428.492 0.350 50 20 ICGD O=C(NNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)N[C@@H]1CCS(=O)(=O)C1 795527977 TUWSTDNHGXXATK-CABCVRRESA-N 430.477 0.661 50 20 ICGD C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807476178 AKFNJAJQYBXQRJ-DOMZBBRYSA-N 428.536 0.403 50 20 ICGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)ccc3O)cn2n1 810387476 XPURFYHVLSMIHR-UHFFFAOYSA-N 433.222 0.906 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccsc2S1(=O)=O 812651517 XNAHZRACUWMUGP-HZMBPMFUSA-N 447.502 0.975 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C 827931998 JDLBMLBRSQGHFI-RCCKNPSSSA-N 443.548 0.661 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)c1ccccc1 834578628 BGAYKHHIAYARSI-OWBHPGMISA-N 431.470 0.971 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ncccn3)CC2)cc1 913044387 UOSMLEXQQCHTPH-UHFFFAOYSA-N 432.506 0.541 50 20 ICGD CC(C)CN1CCO[C@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 915922812 HEKRSNPWIQISCH-CQSZACIVSA-N 426.543 0.281 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 917363391 ZWQSQVTYSAIEQY-UHFFFAOYSA-N 443.485 0.934 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc2ccccc2c1 918624659 ZXAGVPRDZUSSKI-UHFFFAOYSA-N 440.437 0.856 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)N[C@H]1CCS(=O)(=O)C1 919887240 YJEZYAFFCBFFJO-STQMWFEESA-N 441.485 0.587 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 920811695 MHPUIQUVNNQMFW-UHFFFAOYSA-N 437.456 0.940 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC(C)(C)C(N)=O)cc1 920851335 JWIIMNBDDQTMME-GDNBJRDFSA-N 438.488 0.969 50 20 ICGD CS(=O)(=O)C[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1117734033 UXLFORDLRGJLDA-GFCCVEGCSA-N 431.540 0.091 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccccc1Cl 1318233531 SSJUXAPMXAOMAA-UHFFFAOYSA-N 431.884 0.813 50 20 ICGD C[C@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1777854225 KEQWTUPCYMKIRW-LHSJRXKWSA-N 432.525 0.276 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)[C@@H]1SC(=N)NC1=O 1778083396 YVTPTIKULAOWKP-NTJNJQCLSA-N 434.921 0.837 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1779037169 SHGSGEBFGAEHDA-OAQYLSRUSA-N 443.435 0.287 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298267 CHHFYYJWXSUZCZ-KXBFYZLASA-N 445.589 0.511 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)CCl)C2 1779552899 FCJGHDXTPSZWMJ-RZQQEMMASA-N 431.961 0.916 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780827723 AQPYIFLEYDKTNG-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326554 QCWVIEQFLZBJDM-WBMJQRKESA-N 429.246 0.315 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781328787 ZTPDWSPMISXKKH-DOTOQJQBSA-N 435.338 0.144 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1C[C@H]2C[C@H]2C1 1782214832 NHTMDJWJORQIIL-BYXWFHEMSA-N 449.596 0.214 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783246380 KOYWHNBYTSLPQI-YCMMZOLNSA-N 426.322 0.636 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626423 WNXOMGRXECSYLO-YTFOTSKYSA-N 430.343 0.523 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)[C@@H]1CCc2nc(O)nc(O)c2C1 1785328982 LKWSGJUUWHGOBZ-XBQZJTFMSA-N 442.875 0.507 50 20 ICGD CC1=CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786979866 UWCSJLBHTNEBBJ-QIJZPMMNSA-N 426.322 0.706 50 20 ICGD O=C(Cn1ccccc1=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1788180853 WQPBMUIEWIKWLO-UHFFFAOYSA-N 445.284 0.976 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975783 YIQJCPZHXJKACB-OIBBZDHESA-N 430.929 0.545 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1NC(C)=O 1792980507 KOPKKDHMJDCVGS-CXHZTBPHSA-N 439.896 0.457 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794109253 CMAGADXMOZRIGH-MLNQONBDSA-N 428.848 0.117 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1794142476 OOVOHDKFJWMPBE-XGUBFFRZSA-N 433.933 0.766 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]cc1C)C2 1796440150 GDDBEWGTTIDQMJ-FJABVQHVSA-N 426.477 0.660 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2 1796441672 OMORXEAQRTZDAN-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1800594961 OMQVZGLKQVBGDM-LOODEUFTSA-N 436.317 0.763 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1)[C@H](O)CCl 1803148552 SREKGHDPJMEVBQ-FZKCQIBNSA-N 429.926 0.264 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@H]1c1cccnc1)C(=O)O 1808661560 MREYEENRLNDHEJ-QHSBEEBCSA-N 445.289 0.841 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1812419209 WLZSTPCXRVDEEO-IIBYNOLFSA-N 427.509 0.426 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1c1cccnc1 1813068301 REKLZHDEFKMPCA-HCCHORAYSA-N 441.912 0.957 50 20 ICGD N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)CC1 1814474003 KHVIIHUPTACPOX-SNVBAGLBSA-N 425.474 0.671 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)N1CCN(C)CC1 1814873242 TYQPWVCFVXKGGI-FVQBIDKESA-N 426.949 0.637 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccn2)n[nH]1 1816504490 SUGFUHLNHSZXPV-HNNXBMFYSA-N 435.448 0.818 50 20 ICGD Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](F)Cl)sc3C2)c(=O)nc1O 1817132446 NINRDDCTOWRKNL-QPUJVOFHSA-N 429.861 0.860 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1 1817643018 DLLVAIVSZQUDHT-SFHVURJKSA-N 436.281 0.601 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](COC)NC(C)=O)n[nH]1 1819613026 KZGVAYAYWXKCTJ-CFVMTHIKSA-N 429.905 0.807 50 20 ICGD Cc1nc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)no1 1825182194 XKBWTOQBOPELPY-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCN1C)CC2 1826083058 JECKTSPPIGDZIG-HIFRSBDPSA-N 436.582 0.912 50 20 ICGD Cn1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055297 XHIJJJVMTJVOEC-NRFANRHFSA-N 438.337 0.576 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CO)o2)CC1 1829268319 ITCJNSOZZGLCLK-HXUWFJFHSA-N 440.305 0.999 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C(F)F 1830732890 XUTMKDJKTKSMCO-GUYCJALGSA-N 436.843 0.256 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1831646481 KHXBWVDFOAHIDO-BXWFABGCSA-N 444.985 0.877 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1831947830 YYVYSNLRGOQVKU-GOSISDBHSA-N 442.310 0.945 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834132819 OLLBLIPGEDVTBX-DNVCBOLYSA-N 427.885 0.414 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797815 JPKQPYIIKSPYJR-QGZVFWFLSA-N 443.353 0.143 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834819585 RPNCHXXHAIXEOC-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD O=C(C1=COCC1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922137 PYRJRELMUZCQNE-UHFFFAOYSA-N 428.294 0.283 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3ccn(C)n3)CC2)CC1 1837949199 KTNWUZSQQRSHFH-UHFFFAOYSA-N 448.568 0.334 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1 1838352525 LOUUVXUXGKZAEX-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152058 MFBHTPKIIPUGNM-IRXDYDNUSA-N 435.308 0.872 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624544 LGZVZFGXLNXSHW-LIRRHRJNSA-N 439.875 0.956 50 20 ICGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187753 UORMOGPSTFSOIS-KRWDZBQOSA-N 444.275 0.309 50 20 ICGD COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841664240 ULHBVNGEFHWPMH-QGZVFWFLSA-N 431.537 0.819 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2COc3ccccc3O2)C1 1841898034 ZXHBLBCEQSYJEV-GOSISDBHSA-N 437.456 0.342 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)C1 1844491060 YPGGPNKTQIZHNW-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1845403431 PNMVGDHTDNUPSC-UHFFFAOYSA-N 442.407 0.863 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 728854093 KUYLKHMQVYZRNP-UHFFFAOYSA-N 436.450 0.620 50 20 ICGD CCN(C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O 731356285 YVXWWQCDZAMRHZ-UHFFFAOYSA-N 427.483 0.102 50 20 ICGD COC(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 731749566 ZLASJKXUCRWQFS-SFHVURJKSA-N 442.424 0.936 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 741186456 FQAAYJUNILANIO-KRWDZBQOSA-N 431.541 0.918 50 20 ICGD CN(CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 743831088 PPPIWGKNNYVBJA-UHFFFAOYSA-N 440.503 0.564 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCC1 745833655 AJKLVJBKGGTTAF-UHFFFAOYSA-N 432.524 0.096 50 20 ICGD Cc1cc2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(C)n2n1 746927812 WIXVOOOFECOBNC-MRXNPFEDSA-N 425.401 0.490 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)C[C@@H](C)O1 747324775 OFZNTHICQSNIKR-GASCZTMLSA-N 432.502 0.883 50 20 ICGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 750653583 WPQGVMUJLMKAIH-INIZCTEOSA-N 445.501 0.340 50 20 ICGD COc1cc(C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1OC(C)C 751492667 CEBXWHXJVNBTEO-UHFFFAOYSA-N 434.474 0.741 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1cc(C)ccc1C)OCO2 753841138 PLDTZEUBMPEJAG-UHFFFAOYSA-N 443.412 0.984 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 758044018 LRGQOSKBLMKRDL-QMMMGPOBSA-N 444.872 0.828 50 20 ICGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 760509314 JLJMPRBBHIJGEZ-MRVPVSSYSA-N 427.298 0.202 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc2ncccc12 763044576 YNBNYSJIVTYNIS-GFCCVEGCSA-N 441.469 0.462 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1F 763552390 ZINZTYXWXIEJAM-UHFFFAOYSA-N 427.352 0.238 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c1 763717841 ATDASKVGCZVJFE-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 763823378 DSYJCRWBCAHUDB-SFHVURJKSA-N 427.461 0.910 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CC(C)C)c1 763881415 FPJGMTVXQAWVOL-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)cc1 764130433 HOKFXCPSYYTBMK-UHFFFAOYSA-N 430.417 0.999 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764266365 CKLLRZWCRXOZHF-CYBMUJFWSA-N 433.490 0.487 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccnc1-n1cccn1 766644962 XUVNEHNEQBLBGB-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C)nn2-c2ncccn2)cc1 768229357 BBPPBKCJNVHNGJ-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 771605810 BZXNJACSYRNNCG-UHFFFAOYSA-N 436.877 0.252 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)c2ccccc2c1=O 772630039 IJBCJNXXPWXDSM-QGZVFWFLSA-N 449.533 0.628 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 775189224 HNNHPQXSANVXJS-ZDUSSCGKSA-N 449.489 0.957 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)[C@H](C)O)cc1 779522534 UFJXFNQEBHSNJE-GUYCJALGSA-N 445.501 0.413 50 20 ICGD O=C(NCCc1cccs1)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780384777 UEDCMWQPPQKWIK-UHFFFAOYSA-N 444.560 0.924 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(OC)c1 782121461 ZQBUSMVDFZWZKT-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD COc1cc(Br)cc(C)c1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783428990 YYHYKKFZELKBFB-HNNXBMFYSA-N 434.312 0.903 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 784000085 USFGRRQFKSRQDG-UHFFFAOYSA-N 449.423 0.196 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 784214088 UVGNMTIWCJOVTG-UHFFFAOYSA-N 442.461 0.185 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1 785227348 PBRHUBSOXNYPON-UHFFFAOYSA-N 441.492 0.877 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 785331377 UFIIZGDAXWQPHB-UHFFFAOYSA-N 438.466 0.045 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 785338349 KWDOXUCSBNJFNM-UHFFFAOYSA-N 430.446 0.761 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)=NN(c2ccccc2)C1=O 794061727 KHYVVRZULYJXBG-CQSZACIVSA-N 438.444 0.399 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)Nc2ccc(Br)cc2)CC1 803396242 OCZIUVSAYSTLGD-UHFFFAOYSA-N 434.316 0.778 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 803947732 NTNBVCMGAIRCFK-INIZCTEOSA-N 446.460 0.888 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806568042 NRXJDYVHSYGFHV-ZDUSSCGKSA-N 440.444 0.835 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNc3nc4ccccn4n3)c3ccccc32)N1 807033348 MWNHZBQSCJSLNE-UONOGXRCSA-N 435.444 0.208 50 20 ICGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 809957664 SVCONSBNSYFMJY-MRXNPFEDSA-N 447.517 0.236 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCN(c2ccccc2)CC1 812495950 ZBTBXKNCWBFXBY-UHFFFAOYSA-N 443.529 0.919 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 817055042 JIKYRQFLDGPZRB-MRXNPFEDSA-N 448.480 0.639 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1 912769093 WMCNTJIFXDIPMS-UHFFFAOYSA-N 441.469 0.933 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CCS(=O)(=O)C1 914536706 GQXBAXHACFXFLA-QWRGUYRKSA-N 434.312 0.982 50 20 ICGD O=C(NCCc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916262434 FRIVYVYFBWAFJJ-UHFFFAOYSA-N 433.490 0.289 50 20 ICGD COc1ccccc1OCC(=O)NN=C(C)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916296474 PCWAQJHRQSYPHY-UHFFFAOYSA-N 435.458 0.977 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCS(=O)(=O)C1 916647675 NPZWBPSBBJAFRH-KRWDZBQOSA-N 430.552 0.352 50 20 ICGD CCCNC(=O)NNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 921041822 QMSBXVVKCZDKEW-UHFFFAOYSA-N 431.471 0.745 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 933503341 PSAYWTNBULCELP-GASCZTMLSA-N 425.445 0.353 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCOCC2)c1 1317934855 ARYHHWPSXZVIIK-UHFFFAOYSA-N 433.490 0.466 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)CCc1ccccc1O 1318326272 GHEVQRLXGKBBSR-UHFFFAOYSA-N 429.477 0.746 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2C1 1324547678 HDNWZFJHWFKFBE-AWEZNQCLSA-N 446.533 0.779 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2)[C@H](F)Br 1780777313 QRCFOBAVGNVJME-IVMMDQJWSA-N 432.294 0.873 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ccoc4cn3)C2)C1 1782188971 NRSYFAYDXNWFNL-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)nc3)[C@H]2C1 1783376297 IWLOYXSBTSIFCL-JYJNAYRXSA-N 437.928 0.701 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1784329993 YWIMHHGCEIJJIX-BTYIYWSLSA-N 426.477 0.191 50 20 ICGD CSCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784564266 JADKSPDCIBOLRX-JQFCIGGWSA-N 449.577 0.668 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C3CC3)C[C@@H]21 1788607750 DZQRFCVPDFBECZ-KWFCSAJOSA-N 427.505 0.325 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788750893 CUBHLKFRAWIOPQ-YTFOTSKYSA-N 430.343 0.688 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1789870302 DNTJXVXEOIKZHR-KSWSHJMHSA-N 444.319 0.405 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(F)c1 1790005124 QLASTVWPQBDRMB-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1[nH]nc2ncccc12 1796217061 UXVFPTVQRRIKTP-INTNWOOBSA-N 426.246 0.852 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)C1 1796368245 GXVKZIRWKDBSEO-UUUMGPIQSA-N 449.907 0.482 50 20 ICGD Cc1cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2[nH]1 1796984700 VHZZYLWAILTZRW-RMFSNUHRSA-N 447.300 0.673 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc(-c2ccccc2)o1)c1cccc(B(O)O)c1 1798501104 PJTKNBVCPCHMRC-REPLKXPHSA-N 446.272 0.982 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1Cl 1798801049 FLCOMDLYVXELMR-CCWDJLKJSA-N 428.681 0.537 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc2c[nH]nc12 1799917985 LLHHBCYYZQXCFZ-RMFSNUHRSA-N 448.288 0.068 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(O)c1)C2 1801012132 HCYXRIUZBIQMAD-FAQVEIGNSA-N 432.521 0.287 50 20 ICGD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1801038317 ODOXDPKEKPJEPO-NIFZNCRKSA-N 433.933 0.743 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1 1806113093 VLOLGACFIIPKOM-IERDGZPVSA-N 440.504 0.875 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360548 SUDLJSYRHYTUAN-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369499 MJLMBLGFNQBGIU-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809675420 QLISCPKBBIEXPK-KGLIPLIRSA-N 431.375 0.841 50 20 ICGD CCOCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298583 JHILIKOPOLBWCG-HNAYVOBHSA-N 426.477 0.436 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)COC1 1812492823 NEZXRFVARXLVPL-FXAWDEMLSA-N 431.537 0.887 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1812865670 RPRCTSLIBCSTTH-DOERSZECSA-N 425.283 0.979 50 20 ICGD O=C(Cc1cscn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815514625 VAVAMBXNNKUVMF-CYBMUJFWSA-N 442.331 0.748 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CO)o2)[nH]n1)c1ccc(B(O)O)cc1 1817471984 AKAHLJPJLLVSSZ-KRWDZBQOSA-N 438.249 0.795 50 20 ICGD COC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401463 CIAVVHCHWZCMQB-BLLLJJGKSA-N 429.481 0.997 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cc3ccc(O)cn3)sc2C1 1827057857 OXDFWBHIWPFYCX-ZDUSSCGKSA-N 446.533 0.771 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C=CCN2)CC1 1828926293 DAYIULYCUWITQR-OALUTQOASA-N 426.521 0.446 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726434 YQQUVTACUXBANM-SJCJKPOMSA-N 434.276 0.110 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830727022 ZGXSGSIBKFISGO-JXFKEZNVSA-N 441.912 0.079 50 20 ICGD C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(F)(F)F 1832160180 BUPFNAUVMMOHGE-HZPDHXFCSA-N 442.507 0.608 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1832207617 IGDRBLPCYZCGID-SJLPKXTDSA-N 433.557 0.832 50 20 ICGD NC[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccccc1 1834757514 YXVBZCLYOLXKME-UXHICEINSA-N 436.984 0.900 50 20 ICGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cn1 1835984851 SDUDDVARRFLEIL-SFHVURJKSA-N 443.342 0.594 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)n1 1839150181 DMTLEBUYXXLXSA-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840156752 YZQWFTZUWZBYFF-LBTNJELSSA-N 436.889 0.258 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)CCBr)C1 1842638780 GZQTVZPHISCBRQ-UHFFFAOYSA-N 441.351 0.880 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(Br)cn2)C1 1844424099 AQAIADWFGQGRKF-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845442567 QHOUCGCTWWYYQH-ATVHPVEESA-N 431.493 0.333 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn(-c2cccc(F)c2)n1 1848310452 IYOFSMFTGJXGOF-IRXDYDNUSA-N 443.483 0.595 50 20 ICGD O=C(CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1)NCc1ccccc1 22820574 IMOHBNKJXZBCTF-UHFFFAOYSA-N 427.480 0.521 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 727351061 ZFBVEPPFOUNLJX-UHFFFAOYSA-N 438.473 0.745 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCN(c2ncccn2)CC1 728855823 CQVNIAIUIAHTFY-UHFFFAOYSA-N 433.490 0.864 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 734524565 GGAALOUYLCBIEM-OAHLLOKOSA-N 429.433 0.150 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 736756982 IJJUPDBXKBSRKM-BMEPFDOTSA-N 445.497 0.730 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCc3ccc(OC(F)(F)F)cc32)c(=O)n(C)c1=O 737427644 OTWMARVOEJAPLD-UHFFFAOYSA-N 443.407 0.936 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1OC(C)C 740706316 WKNBIUDYULXWSU-UHFFFAOYSA-N 443.503 0.753 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)Cc2nc(C)cs2)cc1 744424966 XZCDNPPSUJAFSR-UHFFFAOYSA-N 439.563 0.360 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 748636811 NDGKOBSNJLXMME-ZYHUDNBSSA-N 428.467 0.022 50 20 ICGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 750644917 FJSXXOGFMXJIFS-HNNXBMFYSA-N 437.522 0.424 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)cc1 758666935 WHRJIWJDHXVZAO-KRWDZBQOSA-N 442.476 0.433 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440020 VQJGGRYVXTZSHB-FQEVSTJZSA-N 439.513 0.939 50 20 ICGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccnc3)cc2)CC1 763492272 RRQWIMDHDNPALY-UHFFFAOYSA-N 445.501 0.902 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1-n1cnnn1 763695754 VTLINPYGJRXXCA-UHFFFAOYSA-N 445.823 0.489 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1N1CCOC1=O 763813582 MUGIZVJVHFBURD-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 763998127 LURVSJZJIUSSTL-AWEZNQCLSA-N 449.460 0.925 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1 764126630 NMDUJRJEFOMEJH-UHFFFAOYSA-N 433.852 0.945 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 764136337 ORJPZFVCKOKMIW-UHFFFAOYSA-N 425.445 0.944 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1C 764170151 ZWTCYXZLFLZHDL-QGZVFWFLSA-N 446.485 0.846 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 764227260 MHONMBGMZUJXJS-LLVKDONJSA-N 438.437 0.642 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)cc1C 764233359 VSLHBTMTWZQIKT-ZDUSSCGKSA-N 449.489 0.514 50 20 ICGD Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764233458 WUHCEQZYTAAVBH-CQSZACIVSA-N 448.501 0.598 50 20 ICGD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764259333 FWRVWOHLVJFLOT-UHFFFAOYSA-N 439.520 0.849 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 764294788 BXAFCRDJPXZIDV-UHFFFAOYSA-N 441.492 0.932 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H](C)O1 767823432 UNGYNQIONXVPCX-OAGGEKHMSA-N 428.530 0.659 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)NCCc1cccs1 777617004 MYJWVOBTOUNRJH-UHFFFAOYSA-N 432.549 0.782 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2c(O)ncnc2cn1 778940701 GBLFRXMLTYJZLQ-UHFFFAOYSA-N 430.446 0.508 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)nc2ccccc21 782894383 SXKUQRINIXOZLD-UHFFFAOYSA-N 436.407 0.622 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 784915909 IXDZDNUNQRHDBD-HNNXBMFYSA-N 433.465 0.485 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cn1 785330716 KSZNIQBVDDVJHW-UHFFFAOYSA-N 438.462 0.601 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(Cl)cc1 786358073 DSOLNAQHEJFKOE-BQGCOEIASA-N 449.847 0.197 50 20 ICGD CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1=O 787102073 NGDMPYMKMRYWDC-INIZCTEOSA-N 426.385 0.768 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H](C)O1 790482707 BDYYWJQAMMWJOU-JFIYKMOQSA-N 425.551 0.852 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc(-n2cccn2)c1 792355514 ILZQWYGZFLFREV-UHFFFAOYSA-N 425.401 0.751 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNc2c(OC)cccc2S(C)(=O)=O)nc1 792397268 HNIQFBQFKAOXMO-UHFFFAOYSA-N 429.480 0.550 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 798313585 JPJQULPDMYABER-LLVKDONJSA-N 439.372 0.641 50 20 ICGD C[C@@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 799666582 CZTVEQAZVCUCBK-CQSZACIVSA-N 442.922 0.138 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NN(C)C(=O)OC)c1 804121386 FYTMMSWLNMDLQE-UHFFFAOYSA-N 428.511 0.897 50 20 ICGD O=C(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 810068184 KENIXUBBWAMFKB-NSHDSACASA-N 431.371 0.746 50 20 ICGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 810391817 NZYJZLOTGNMWER-UHFFFAOYSA-N 441.416 0.666 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 811337239 MKAGMRMDGSNVLI-UHFFFAOYSA-N 435.458 0.457 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 863999635 WSMBPKDOTUFNJS-JOCHJYFZSA-N 440.456 0.997 50 20 ICGD CCCCn1c(CCC(=O)N2CC[C@H](B(O)O)C2)nc2c1c(O)nc(=O)n2CCCC 864231219 KLXHWPCDJVBZNZ-AWEZNQCLSA-N 433.318 0.907 50 20 ICGD C[C@]1(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)Cc2ccccc2C(=O)O1 892678327 DITUAJOGWNEFKJ-GOSISDBHSA-N 437.861 0.920 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1cc(Br)c[nH]1 914751244 QVWVZBCKZDAQKV-UHFFFAOYSA-N 447.267 0.466 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 915188700 LEQJXGGCBIRPNY-SNVBAGLBSA-N 449.327 0.279 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCS(=O)(=O)C1 916114191 VPSFQFCFCGDKLG-GHMZBOCLSA-N 444.307 0.384 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc1OC 916728329 ANWXTQUQARDEJM-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(C)cc3O)C2=O)cc1 918338930 PSOOBPMVBUQGJZ-NRFANRHFSA-N 426.429 0.937 50 20 ICGD COC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 918774034 UYJUVMUNPZPIEA-QGZVFWFLSA-N 444.396 0.383 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)cc1 919744646 QSSBHWNFOWCEDI-UHFFFAOYSA-N 449.427 0.970 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 920473676 USOCTETYNUYIMS-GTNSWQLSSA-N 425.536 0.503 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@@H](C)O1 920737180 AXIRCYSGRXVFPJ-ZIAGYGMSSA-N 446.957 0.655 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778823513 RDOVSFCDISUJDF-KCLICXKESA-N 428.327 0.682 50 20 ICGD Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(-n2nccn2)c1 1780239947 DHUFWXXGQCABDZ-YLJYHZDGSA-N 433.896 0.619 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329185 APJMKLYYBLHYSP-BBRMVZONSA-N 433.278 0.664 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997301 PIQJWYXNBFFBTN-XJKCOSOUSA-N 439.372 0.718 50 20 ICGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783492421 FRJRSORREZRMJK-VBGDYPAJSA-N 433.892 0.326 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1783933103 QOWZPLJZQWJSBA-LJQANCHMSA-N 425.436 0.176 50 20 ICGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1ccccc1 1784095887 NSHYGBYFDJZPPY-XSLAGTTESA-N 437.924 0.386 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccc1F 1785625082 QCIMOXWKWCJDTG-KNBMTAEXSA-N 441.268 0.116 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786818936 AIAIWXMIGOFPTQ-YSQVKDRBSA-N 446.552 0.474 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195528 RULPSHVKXBFDJJ-NXOAAHMSSA-N 445.402 0.387 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)CC)C[C@@H]21 1788757456 KXQDIFJELGJUHF-QTVXIADOSA-N 430.343 0.830 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1789872805 ZSTAMONQPFTJAQ-RSLFNQERSA-N 447.319 0.777 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1790962455 ZGDPGFMVIXKAKU-YTFOTSKYSA-N 430.343 0.666 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC)n3)C[C@@H]21 1791252652 QQXUIASUOMBKTI-HJWJTTGWSA-N 425.913 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3onc4ccccc34)C[C@@H]21 1791293702 BUQDUVZKBYMIIB-ZVZYQTTQSA-N 443.504 0.794 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848639 RSHGHTRUCCAJGX-ZWUHOBOKSA-N 442.310 0.773 50 20 ICGD NC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1796124874 QZXQKAPCECMLTB-SFNKJDCFSA-N 436.516 0.679 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1 1796798819 NJTHWGHEQQIFJM-AIUQWGENSA-N 441.448 0.274 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1797143260 NVLKPBCTASYFAS-XGUBFFRZSA-N 431.917 0.043 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCCO2)c1cccc(B(O)O)c1 1797308438 CWYJFWWWBHJZLY-REPLKXPHSA-N 436.273 0.703 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799828997 KMKHSDVQKXBIOU-OXUXUCFPSA-N 427.841 0.412 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2nc1O 1800932610 QNOQYQGFLRTBFK-MUJYYYPQSA-N 440.504 0.960 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800975775 TTWWELJQKZWVTN-QHHYFVSCSA-N 448.907 0.623 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccccc21 1801109948 DQCGSLOSKHBXFH-GMQQQROESA-N 434.301 0.300 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807608725 GSQUKGGJMSRKBH-INWMFGNUSA-N 436.314 0.805 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1813071614 VMRSUIZNJZNQIY-FOIQADDNSA-N 441.492 0.270 50 20 ICGD Cc1nccn1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824701973 BWWPUPWKEXOQQA-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)C(C)(C)C)CC2 1826082806 CZQAWJJTCAWRRA-ZBEGNZNMSA-N 425.555 0.835 50 20 ICGD O=C(CC1(O)CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059614 DYCYTXYOSYXVHQ-FQEVSTJZSA-N 428.338 0.905 50 20 ICGD O=C([C@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399433 ZATFDPFBHDNTLV-JSGCOSHPSA-N 425.852 0.580 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1830537145 CAQBSLJKKZKSJV-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1830537386 GKTXDBSNTFHFIO-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD CCc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830725158 LUVQKXWPXPYAMZ-FZKQIMNGSA-N 449.335 0.306 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccn(C)n2)CC1 1831871708 WPCHYVXNTACTON-IBGZPJMESA-N 432.569 0.955 50 20 ICGD O=C(c1ccnc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831905024 OPBDFCYELNBYMS-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832656505 XQCRTZRHDGUSKN-FZKQIMNGSA-N 443.294 0.950 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122286 LBCRQWXHUVADHZ-ZIAGYGMSSA-N 443.386 0.868 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123198 BHBSHCVANOPJRH-QAPCUYQASA-N 441.326 0.649 50 20 ICGD CC(C)n1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n1 1833310278 FZJAUJCQNFXLDL-MRXNPFEDSA-N 426.949 0.644 50 20 ICGD CCC(=O)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835117799 MFZQZYVFVUYYTR-MFKUBSTISA-N 444.536 0.671 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835374213 LHKWBGAXFCFBJW-SFHVURJKSA-N 432.359 0.714 50 20 ICGD C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837663328 WWXXYFKIUSTFJI-HSZRJFAPSA-N 444.337 0.429 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837715344 LRAXKNZZERLKGO-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838676001 KVBQFGHJFBKGNG-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)C1 1839066771 SNAVMOJMEWNSMY-XLIONFOSSA-N 427.618 0.636 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c2c1 1839486323 UAECUSJNNROKSK-UZLBHIALSA-N 447.879 0.104 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839590988 WXFRTWYUHCQKIJ-BEFAXECRSA-N 440.859 0.143 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840331066 ZRHPYDANETVRNX-SYNHAJSKSA-N 425.913 0.316 50 20 ICGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1840642083 FBBGBVPMMFVREW-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1844693046 QXZXVNUPKTXZLO-INIZCTEOSA-N 444.444 0.958 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 17407188 SYEISGQGDRJGIR-UHFFFAOYSA-N 436.465 0.332 50 20 ICGD Cc1cc(CC(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n1 17514160 ARYIQMRABYVJCD-UHFFFAOYSA-N 438.535 0.299 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 726156148 IWGXEGNHTPSEGD-UHFFFAOYSA-N 434.312 0.673 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3cccc(C#N)c3)n[nH]c2n1 728871347 WXFUABRKHXQFSD-UHFFFAOYSA-N 440.493 0.230 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)s1 729297093 TZVYTFKTVHQSSS-UHFFFAOYSA-N 437.547 0.369 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1CCN(C(=O)c2cccnc2)CC1 734242217 XNVATWULPKMCJN-UHFFFAOYSA-N 434.497 0.789 50 20 ICGD O=C(NNC(=O)c1ccccc1F)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736405871 QIOOITTTZPWKIP-UHFFFAOYSA-N 428.486 0.743 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(Br)c1 742769909 WFVWRDXATAGTDQ-DGCLKSJQSA-N 444.307 0.246 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 743737955 MFQCYESJTISEPP-UHFFFAOYSA-N 436.450 0.345 50 20 ICGD CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744790498 RGHKNAPQKZJGFH-UHFFFAOYSA-N 434.405 0.687 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 746551042 ZXURURZIPPQILV-AWEZNQCLSA-N 433.515 0.939 50 20 ICGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2ccncc2)c1 747429980 XYCRYZCBYZJXTB-UHFFFAOYSA-N 426.882 0.663 50 20 ICGD COCCO[C@H](C)C(=O)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 748260853 ZCWSLQZSSKTUCJ-CYBMUJFWSA-N 435.524 0.304 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748447881 VBRZVFYITFHQJD-UHFFFAOYSA-N 425.511 0.170 50 20 ICGD NS(=O)(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 750174360 OSFSVMCZFFIVHG-UHFFFAOYSA-N 441.849 0.371 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 751211338 GIOZDBNFZPVXJG-UHFFFAOYSA-N 439.379 0.934 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ncccc1C 752235106 LZJCWXUVYAGQIY-OAHLLOKOSA-N 448.501 0.393 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836225 UOFSCWFYJDIRRR-UHFFFAOYSA-N 436.856 0.870 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 758038576 FPDJALOZQIKWSK-VIFPVBQESA-N 436.412 0.531 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cn1 758168509 WGOJGYKNYNCOTQ-UHFFFAOYSA-N 447.561 0.916 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)n1 760306140 CONWFMDUQIAFOJ-UHFFFAOYSA-N 447.459 0.494 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763420143 MPIMQRZOQZNVKM-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763569746 BHEABPQLIBJWNW-SJKOYZFVSA-N 442.428 0.586 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 763631200 WLPVLWNUDIGEFG-UHFFFAOYSA-N 437.456 0.958 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)c1 763754977 YNABRJDOQXQJGP-UHFFFAOYSA-N 436.266 0.614 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 763818296 GCHGCPOUNKLFKQ-UHFFFAOYSA-N 430.486 0.989 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 763860510 IBCKWFXXKYCIGU-NSHDSACASA-N 432.408 0.877 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c1 764144333 XMAUBHFQBAJTAX-UHFFFAOYSA-N 433.222 0.674 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc3cccnc23)cc1S(N)(=O)=O 764145243 YTOWGITVIMXNNI-UHFFFAOYSA-N 441.469 0.844 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764151965 MGKNVVGAQPHDJD-KRWDZBQOSA-N 426.429 0.243 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1 764183493 ZDKVZVWVZJIUDN-UHFFFAOYSA-N 434.412 0.936 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 764202824 BMCVETYYYDJLHD-UHFFFAOYSA-N 432.525 0.539 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cn1 764358799 IRAPBZQNUUURIO-UHFFFAOYSA-N 440.382 0.675 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCCCC2 764435855 XYIFBZSLAJHION-LLVKDONJSA-N 425.463 0.305 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CC(=O)NCC(F)(F)F 764574833 QEYUHXREQJSGCB-UHFFFAOYSA-N 425.747 0.721 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 764830754 MGNPIAUYHUPGPF-AWEZNQCLSA-N 441.506 0.877 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 767240354 OKTCABBOZMHPEH-IAGOWNOFSA-N 429.473 0.793 50 20 ICGD O=C(CCn1cnc2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196292 INVRITXSFLOJQQ-UHFFFAOYSA-N 427.848 0.904 50 20 ICGD Cc1cc(C)nc(NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)n1 776614333 RAEUPFGPIAYSBB-INIZCTEOSA-N 434.522 0.766 50 20 ICGD CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777833122 RVEQGIZZWOBEOG-NSHDSACASA-N 428.374 0.514 50 20 ICGD CN(NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br)C(N)=O 778412137 KEUGVXXZKPOZSK-SECBINFHSA-N 435.300 0.562 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C 778440723 BTSJZKACTXRZJU-UHFFFAOYSA-N 444.510 0.668 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCS(=O)(=O)C1 783427318 OFLPCOHQQQPREJ-IBGZPJMESA-N 440.591 0.414 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 790044124 PUSQBDYRLOGGHN-KRWDZBQOSA-N 446.412 0.857 50 20 ICGD CC(C)[C@@H](CN(C)S(=O)(=O)CBr)NS(=O)(=O)CBr 792781332 IMSLKOPPFGAAKZ-MRVPVSSYSA-N 430.184 0.897 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccccc1 800623315 LSHQJIVWFWMGPO-QGZVFWFLSA-N 439.472 0.442 50 20 ICGD COc1nnc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 801746497 XBELKDAFRCMBEZ-UHFFFAOYSA-N 426.480 0.798 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977880 COPGPXNDKMASBA-CVEARBPZSA-N 428.489 0.750 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 809507190 TYSHOBSUNZSXPF-XJKSGUPXSA-N 449.460 0.917 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1 914601827 WSWCFSHOEOVOIL-INIZCTEOSA-N 438.550 0.983 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1Cl 914831785 UZQSRSJDUMTZBC-ONGXEEELSA-N 434.301 0.790 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1 915357560 XEIMFABNIXCCRR-MRXNPFEDSA-N 434.474 0.572 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779439472 UKTRFMLQXVNCHT-PFRKPPGBSA-N 442.451 0.798 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781455526 KRUUCMKDLKVICY-YBOAYWMSSA-N 446.552 0.153 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214131 FIQRYSBLHTXONS-DRSNIGMVSA-N 438.569 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1782214399 PTXSHZCPQHOQIV-GKICUZSHSA-N 436.553 0.441 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nc(CO)[nH]c4c3)CCO2)C1 1783875421 RJXDULONFGFDMI-VBKZILBWSA-N 436.896 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1783935998 ZSKHFGBARJPACD-NRFANRHFSA-N 438.475 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)C(=O)CC3)CCO2 1783937640 WZUURJYBTWXREX-QHCPKHFHSA-N 442.516 0.632 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21)[C@@H](O)CCl 1784092585 QGPFNCXTGOEIBG-LVGORTOPSA-N 429.832 0.927 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(C)n1 1786984183 OQLYRUAOHXCUAX-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788639381 IGKWQKOWFJCYRX-XDQVBPFNSA-N 439.292 0.265 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)cn1 1793110442 PIVKFNPDKAHTJV-FZKCQIBNSA-N 429.926 0.478 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)[C@@H]1SC(=N)NC1=O 1795112341 ALJYVZXFBBWXBF-DQYMBCKPSA-N 447.355 0.163 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(O)cc([N+](=O)[O-])c1 1796189371 DORJSHTZJYOATA-BJWYYQGGSA-N 439.233 0.546 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)F)C2 1796440265 JZMUJUWAGZTWMV-IGRYJHFFSA-N 429.399 0.662 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796441671 OLIIFWOHOFKUNL-YFXMYTFBSA-N 437.460 0.224 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccnc(Br)c1 1798017284 KTNPQRILINJCTB-OPDFLTKYSA-N 432.702 0.647 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799931791 BGFOBHSOYNTNLC-DFBDCSAJSA-N 433.553 0.399 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)CBr)C4)(C1)C2 1800702619 ZAPBLKOLGYZBKG-DUGJLFPFSA-N 443.338 0.950 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035013 ZAUXXBGWUQWYTQ-GNXNZQSNSA-N 425.480 0.106 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)C1 1802339627 CJTUOFWLSVINRK-TXTZMMAHSA-N 436.553 0.977 50 20 ICGD Cn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)cn1 1805654185 XMSDFCZFFHFWEG-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807045648 XOWYOHGMBIQTOF-GRDNDAEWSA-N 440.342 0.465 50 20 ICGD CC(C)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364457 QKRXAGFGXAXRSZ-KNQAVFIVSA-N 438.337 0.469 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncn1 1808510154 FTCJFQDSHNWLCM-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD N=C(N)SCCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809758740 AJCDCICYAZVTGT-UHFFFAOYSA-N 432.355 0.228 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)cn2[nH]cnc(=O)c12 1814873259 LPYARMRRGVAQMD-KGLIPLIRSA-N 447.883 0.960 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1F)CC2)c1ccc(B(O)O)cc1 1815341485 YXMHAKIBOAYYEJ-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD Cn1cncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355170 QNYQKSKCLPNNRA-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cnn2c1CCC2 1821451137 WKTLKJYPNGQVET-IBGZPJMESA-N 448.292 0.852 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C\C(=O)NC2CC2)[nH]n1 1822416291 ZSTNUANZKBIHNK-BLIJAFNYSA-N 445.524 0.610 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055046 SJPATSFPEINWAG-NDXORKPFSA-N 429.370 0.973 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1)c1ccc(B(O)O)cc1 1828185468 UQXFEJAWQNWEAN-ZFWWWQNUSA-N 429.307 0.475 50 20 ICGD O=C(C(O)O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829049096 FPLLYUJYHNOAFR-LIRRHRJNSA-N 443.859 0.284 50 20 ICGD N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccc(Cl)c1 1830723319 NFEVMFXNIXUGQW-TXPKVOOTSA-N 446.331 0.396 50 20 ICGD O=C(c1cccc2ncsc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731037 HGISMPZLBZSFMO-BEFAXECRSA-N 439.921 0.966 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830739100 YCCYAGSYIOPOKP-KUHUBIRLSA-N 430.860 0.504 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831449838 TUOLUBMDWDQAQJ-OAHLLOKOSA-N 429.322 0.153 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171177 UNBVHECWHSXNMN-KDOFPFPSSA-N 441.326 0.649 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c[nH]1 1835222686 HFOLZFRXVKBWDS-UHFFFAOYSA-N 438.337 0.502 50 20 ICGD C[C@@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738302 UKDZZZWBAFUGJF-IQMFZBJNSA-N 442.564 0.916 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811202 IXUWWJUIYHBSBO-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815567 OZMAPUVZHNLOJO-KXBFYZLASA-N 437.884 0.282 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837095838 YIBPJOPAPOBCFH-PBHICJAKSA-N 445.289 0.590 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837647534 NBIZTPAFVSVWQR-IOASZLSFSA-N 448.293 0.061 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837971828 JIBMTUIAOQZPHY-YVEFUNNKSA-N 431.283 0.625 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839395539 VMLOLROOWOKNJY-RXVVDRJESA-N 448.907 0.746 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840152988 AISJZQDXDBDUBV-UZLBHIALSA-N 436.896 0.658 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2)C(=O)C(=O)O 1845810633 PDXNXUNJITVFRP-VGOFMYFVSA-N 446.410 0.618 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccc(C)cc2)c2ccccc2c1=O 14044421 CYSFAZUNZBAAEN-UHFFFAOYSA-N 436.472 0.985 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1OC 15663056 QSTLGSNKVNHSRY-UHFFFAOYSA-N 433.417 0.660 50 20 ICGD O=C(CSc1nnc(N2CCOCC2)n1C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 29068064 DMRDMLJFNDDLAD-UHFFFAOYSA-N 447.477 0.911 50 20 ICGD Cn1nccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727349405 BUYSVXNLYAIVJL-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD COCc1cccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 727350986 YTWSAQIOTZMJSR-UHFFFAOYSA-N 441.531 0.772 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)CSCC(=O)NNC(=O)c1scnc1C 729662310 SJUDNOVJSWTUSD-UHFFFAOYSA-N 428.521 0.172 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNC(=O)COc3ccccc3O)cc2)CC1 730823684 WDBSHFTVFBKOEY-UHFFFAOYSA-N 441.488 0.689 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(I)c[nH]2)c2ccccc2c1=O 734416632 ADDWGPQYTZKWID-UHFFFAOYSA-N 437.197 0.941 50 20 ICGD Cc1sc(=O)n(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1C 735116865 IWXXCNKSJUCRLL-UHFFFAOYSA-N 440.551 0.001 50 20 ICGD C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1 738497437 VGAYNYKYXTYWBO-GOSISDBHSA-N 431.537 0.963 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 743831441 XDBJMTPMLXVZJZ-GJZGRUSLSA-N 436.490 0.808 50 20 ICGD COc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 750938798 OVVDCNJSAZPSIB-UHFFFAOYSA-N 444.444 0.406 50 20 ICGD C[C@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCS(=O)(=O)C1 752688869 JVYHVYUDURGPAL-LBPRGKRZSA-N 430.961 0.061 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755052597 SYBQYODNYBKTST-LBPRGKRZSA-N 439.494 0.346 50 20 ICGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3ccc(C(F)(F)F)nn3)ccc21 755194618 SYGXTIIIWFWJQA-UHFFFAOYSA-N 438.370 0.943 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755960297 KFDRBLOEVFFMFS-ZDUSSCGKSA-N 446.551 0.611 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccnc(OCC(F)(F)C(F)F)c1 757904938 QTFSVYJQGGLEEN-QMMMGPOBSA-N 428.364 0.948 50 20 ICGD O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)CBr)CC1 758524088 TUNNABJENDKMJT-ZDUSSCGKSA-N 430.324 0.866 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1ccccc1O 761266043 CQJPZZAADGHERZ-UHFFFAOYSA-N 429.476 0.786 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)cc1 763586650 PKBRTHJXTYQYHH-UHFFFAOYSA-N 438.462 0.221 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 763659833 SCNULWFYADPXRR-UHFFFAOYSA-N 441.488 0.612 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 763682647 YMWIYKLAWAKOAQ-UHFFFAOYSA-N 435.440 0.846 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1S(N)(=O)=O 763686322 LOANWKQGVHUFCM-UHFFFAOYSA-N 440.865 0.461 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763880435 FBKBJZBELFSLDU-UHFFFAOYSA-N 431.449 0.860 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2Cl)CCN1 764034911 LUHLGSLZIRMOQI-UHFFFAOYSA-N 435.893 0.666 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)c2)CC1 764368388 VOZDZIWBBIXCMD-UHFFFAOYSA-N 439.516 0.737 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 764398374 GKPYOYADFWRJLD-HUUCEWRRSA-N 434.493 0.839 50 20 ICGD O=C(CC1CCCC1)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739580 YUXVJLMMLVDTDH-UHFFFAOYSA-N 429.521 0.288 50 20 ICGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766659900 IHIVCVYPGQIXOM-OAHLLOKOSA-N 440.953 0.553 50 20 ICGD C[C@]1(NNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 767189764 NTIRPTZJOQHANT-SFHVURJKSA-N 429.974 0.843 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605826 CRUVFNQIQWKPLP-UHFFFAOYSA-N 427.914 0.824 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 772993348 BHTPNXVCOQXJAG-LLVKDONJSA-N 444.897 0.821 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(F)cc3F)cn2)C[C@@H](C)O1 783340183 IMMBAXZSSFINKS-VXGBXAGGSA-N 436.419 0.879 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998624 FWPIATSHBWDQCD-HNNXBMFYSA-N 443.504 0.718 50 20 ICGD COCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc21 784005068 YVNRBXWBUQQSEE-UHFFFAOYSA-N 427.417 0.397 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(C)c3c(cnn3C)c2=O)c2ccccc2c1=O 791297023 PPSZREVSIHYSGZ-UHFFFAOYSA-N 435.444 0.467 50 20 ICGD CSSCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 793079214 WZODKLMZBROLQA-HNNXBMFYSA-N 425.532 0.767 50 20 ICGD CN(NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 803102619 QTAGNUCUSOOGIO-UHFFFAOYSA-N 432.543 0.978 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1F 806975996 YECCYOHMQABDBA-UHFFFAOYSA-N 426.401 0.202 50 20 ICGD COc1cccc(-c2noc([C@H](C)NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)n2)c1 814307405 GXAGEHSLNKLECH-AAEUAGOBSA-N 426.437 0.991 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 814635637 HZJGVNIYUMIAPK-HIFRSBDPSA-N 448.505 0.646 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCOCC1 859407647 QNYHMQVIWVHCHW-UHFFFAOYSA-N 437.449 0.930 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1C 912921690 SCXDSQYPPODRHF-CALCHBBNSA-N 440.566 0.619 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NC(C)C)N(S(C)(=O)=O)CC2 914852001 YGMIXDDMULKYTE-CQSZACIVSA-N 428.511 0.692 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N(C)C)c1 915913538 VPVRDIZGDOTCHX-UHFFFAOYSA-N 449.489 0.528 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 915918696 ZLADARXNPDUUPZ-CQSZACIVSA-N 433.490 0.808 50 20 ICGD CCS(=O)(=O)NCCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 916517216 YGWIYQDKDUFGJT-JTQLQIEISA-N 437.316 0.486 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n[nH]2)cc1 917178359 UNEYHCLDQJJXIS-UHFFFAOYSA-N 426.458 0.644 50 20 ICGD O=C(COC(=O)Cn1c(O)nc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 917273655 CCNGCPYRPYSZIH-INIZCTEOSA-N 426.385 0.273 50 20 ICGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 918222417 WIRQNOFISOKOAR-UHFFFAOYSA-N 434.474 0.473 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)n[nH]2)cc1 918695279 QYLQRYRPHFGRKT-UHFFFAOYSA-N 439.453 0.991 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)c1cccnc1 920301629 DLHNXHPYGTWXER-UHFFFAOYSA-N 442.501 0.925 50 20 ICGD Cc1csc([C@](O)(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C(F)(F)F)n1 1322132716 FVASJIKFMCBIQV-QPUJVOFHSA-N 430.430 0.109 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 1778702858 SGDIEAYRKUYXKL-NRFANRHFSA-N 439.302 0.667 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779037302 VILHGUXLHREYQK-QHCPKHFHSA-N 448.483 0.623 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779543457 CBXPVIPJPISYSF-YLJYHZDGSA-N 427.618 0.684 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1780320899 GVXJIVWRGPVQAV-KXBFYZLASA-N 425.869 0.302 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1782179739 MHRIZUOMUZKZRQ-LUXYFRNMSA-N 436.958 0.331 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3Cl)C[C@@H]21)[C@@H](O)CCl 1784095873 MZWNARSFOHDBQR-MUMJOVGASA-N 431.316 0.953 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785021870 WURWTLGPJOTQMQ-KNJMJIDISA-N 435.952 0.623 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2ncoc2c1 1788049780 VRORQKNFZMBPJE-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD COc1nc(C)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290902 COMSYAFKOQZDRL-SZMVWBNQSA-N 447.536 0.365 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2ccccc2[C@H]1O)c1ccc(B(O)O)cc1 1793177999 IQUFBSISESPTKF-XLGPZGCCSA-N 448.328 0.914 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793449220 QSPQXVIVZBYJAO-JBXGNFEISA-N 437.928 0.592 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc1C 1794485658 XMYOWCUXZFYCMT-CCWDJLKJSA-N 438.488 0.214 50 20 ICGD CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795362178 RHAMXNGYDFIORW-FQLMCAECSA-N 447.960 0.869 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737696 KRPRPRRFTRIVGQ-OPMZPASUSA-N 439.321 0.147 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797749646 INMSNYOXVYQFCM-FVCICTRLSA-N 429.502 0.572 50 20 ICGD Cc1scc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1C 1797749692 KDTJQJXAJSAUND-ZSBFGKGUSA-N 443.529 0.880 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1798521607 PXFMRAFZOQXMCY-IQNQJHAHSA-N 447.444 0.494 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1ccccc1C(=O)OCCO 1798565663 TUNOEKRKUFDJKX-VZAMPYOESA-N 428.844 0.573 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1799276351 JJPIBBBOFLCMMS-VKZHRDFRSA-N 435.226 0.918 50 20 ICGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1800186800 MBZVSIJOVKMRPX-DZJQYVJYSA-N 425.382 0.296 50 20 ICGD O=C1NCCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)cc21 1801014801 HMHCXZPEBNDACN-DDFAGTSDSA-N 430.292 0.024 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361248 WHHQZHLHAKXCBQ-WIYYLYMNSA-N 425.294 0.506 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364314 DRQMBEKPEGRWGX-UZLBHIALSA-N 436.252 0.862 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)no2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374980 LUYSELZDAFZZJE-KXBFYZLASA-N 436.233 0.088 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C)[C@@H]1c1cccnc1 1808413902 CIEXAVSVCKFXOY-YVIKVBFHSA-N 439.520 0.783 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCCC2(CCN(C(=O)[C@H](F)Br)CC2)C1 1809662916 KQFFOBLYVRGFMU-LBPRGKRZSA-N 444.238 0.633 50 20 ICGD Cn1cc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cn1 1810021410 LHNPVPRGENTGJC-UHFFFAOYSA-N 438.337 0.578 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813070414 INVTUEVSJLZDBM-PGRDOPGGSA-N 441.536 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1814268612 AMDXXJPBCVPVAF-XXBNENTESA-N 444.580 0.946 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](N)c3ccccn3)sc2C1 1815022914 WNYYQBZGXYQPFE-KZULUSFZSA-N 445.549 0.523 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1818132747 FUBMBBJMIMZQPO-KRWDZBQOSA-N 441.297 0.168 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1826085219 KHLLBEBDXQBVMX-LLVKDONJSA-N 448.505 0.548 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2C[C@@H](O)C2)CC1 1828366597 IRVNGNFUOZCAAF-JTDSTZFVSA-N 429.521 0.689 50 20 ICGD O=C(c1nnsc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728915 YZVBXANVDKNKQG-SJKOYZFVSA-N 430.914 0.085 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830735662 LBQPZHOGYVAQEF-YWPYICTPSA-N 427.723 0.216 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)no1 1834250483 SLIATIDWDWRMDQ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835329247 PDUFJCMOTDXVKQ-KRWDZBQOSA-N 438.447 0.158 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717513 XKHOYMUFIAHWFC-WMLDXEAASA-N 427.933 0.513 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836864366 FNIZVHLUYSCZLC-QGZVFWFLSA-N 444.337 0.570 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837334549 SALNQIKKRDOYCO-WRWLIDTKSA-N 425.913 0.543 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837679137 FLTBHQVOLDYIRC-HBUWYVDXSA-N 448.358 0.531 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838118445 OTJJKAXACZYEEP-LPHOPBHVSA-N 437.859 0.872 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1 1840031794 CGKFSWUDDDAKTK-RHSMWYFYSA-N 429.315 0.431 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)s1 1840032334 VQFKOCSFTRJENQ-BZNIZROVSA-N 447.355 0.629 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840152017 UNWSSXCCAUWSNT-SJKOYZFVSA-N 432.930 0.358 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840152119 XVLRJQVPXVLEDD-FOIQADDNSA-N 436.896 0.887 50 20 ICGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840384311 XUXGXGLBQGYDIY-WBVHZDCISA-N 447.305 0.810 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1 1840904695 OVJYSDAWRDBCCE-FXAWDEMLSA-N 441.887 0.716 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CC(N)=O)C1 1841657467 HWOXYMYAUCVILG-LBPRGKRZSA-N 432.433 0.849 50 20 ICGD O=C(c1cnc2cc(Cl)ccn12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013861 WPCMCPCZIHNHOK-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846182424 AHHNZRLBYRZCJS-UUOWRZLLSA-N 445.284 0.093 50 20 ICGD Cn1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c1C(F)(F)F 1848303581 ARDCNDYEISIWIP-GJZGRUSLSA-N 436.199 0.248 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 15639698 YCWMRJPKUXDVSZ-GFCCVEGCSA-N 448.478 0.260 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178191 DKEMEWOIKXDSRU-OAHLLOKOSA-N 431.536 0.050 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 728872415 NHDYEOXJUINUDU-UHFFFAOYSA-N 430.490 0.760 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3cnn[nH]3)ccc2Cl)C[C@H](C)O1 729455855 CYSWIMUHIFTCOD-UWVGGRQHSA-N 442.885 0.331 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 731499775 GBNFHJDUVXXNIN-UHFFFAOYSA-N 437.434 0.526 50 20 ICGD COCCN(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)OC(C)(C)C 733947676 DRMZPHHVWBHXLT-UHFFFAOYSA-N 433.465 0.578 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 734239418 OTVQANAGFCHIAM-UHFFFAOYSA-N 434.453 0.207 50 20 ICGD COC(=O)c1cc(OC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)ccc1[N+](=O)[O-] 737555963 XDXJZPQVPWMWCR-UHFFFAOYSA-N 428.357 0.855 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)COCc1ccccc1 737635294 YSAKIEWBUKCJKX-UHFFFAOYSA-N 430.486 0.945 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccncc1F 741171982 FIEKMYQXYMVSCQ-UHFFFAOYSA-N 436.465 0.635 50 20 ICGD CC[C@H](OC)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 744313967 WTQUQHVRULKMNX-GJZGRUSLSA-N 443.522 0.525 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)NCCNS(=O)(=O)c3cccnc3)n[nH]2)cc1 746326959 WWLJUHVHMRJYDN-UHFFFAOYSA-N 443.489 0.703 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246619 FAJKOGJJHVYLRA-UHFFFAOYSA-N 430.914 0.752 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1Cc2ccccc2O1 748332031 ZHNZAQHGMGSDSX-INIZCTEOSA-N 449.445 0.207 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 751211673 JHASSKQJTKJAPQ-ZDUSSCGKSA-N 444.469 0.659 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 755847394 HMKWNNMWMUTOMC-UHFFFAOYSA-N 426.433 0.481 50 20 ICGD O=C(NNC(=O)c1cnc2nccnc2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 758813518 DJFCOGNOPXWTBK-UHFFFAOYSA-N 426.458 0.884 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)C(=O)Nc1ccccn1 758839106 LTQRWFBWYWLSPQ-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)cnn1CCO[C@@H]1CCCCO1 758960664 OOJXAGPEVVHXDW-QGZVFWFLSA-N 435.506 0.987 50 20 ICGD COCCC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 760165298 UXTYRDKOUHAGKU-UHFFFAOYSA-N 442.538 0.714 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cn1 763649973 OTZWKTFDIFUMFB-UHFFFAOYSA-N 445.476 0.963 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1 763820929 NEAVRRVVCUIERY-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 763888879 SKHQTYGQKVDAIS-UHFFFAOYSA-N 446.913 0.493 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cn1 763978618 MWTXXNMRQLCABZ-UHFFFAOYSA-N 425.792 0.898 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764152041 OBNDYOPAMXABNR-KRWDZBQOSA-N 426.429 0.243 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c2ccccc2O1 764243113 MAQAETLHXXTJMA-SFHVURJKSA-N 436.424 0.756 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)cc1 764276926 IRLQLPAADGTFGC-UHFFFAOYSA-N 449.261 0.843 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764366099 JXXAHCYDHWAIJU-UHFFFAOYSA-N 428.445 0.700 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)nc2ccccc21 764547037 KKAJQDFYKSNBAB-UHFFFAOYSA-N 449.515 0.787 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 765322130 HELRNZCPLRYRSW-CYBMUJFWSA-N 432.481 0.777 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cc(C)[nH]n1 768277824 NZGRCIPYWIJMRM-LBPRGKRZSA-N 429.499 0.718 50 20 ICGD COCCN1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1=O 768279452 OYWZITBZSSZQSL-ZDUSSCGKSA-N 431.449 0.350 50 20 ICGD CCNc1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 770953730 HGFMKSPGKQCADB-UHFFFAOYSA-N 439.519 0.671 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 772010397 OFADZNCFOZDMEG-UHFFFAOYSA-N 431.445 0.841 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)c2ccccc2c1=O 772569937 XBGLRCZEAVGLHL-CYBMUJFWSA-N 426.477 0.811 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCCN(CC(F)(F)F)C1=O 773006423 SWOKGIMVCWUZBM-ZDUSSCGKSA-N 443.430 0.577 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)c1 773086324 DTIREQGWFJEBLR-SNVBAGLBSA-N 443.489 0.876 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)cc1F 773885824 QQKXBQMPSJQUFN-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 774002603 SDTWJBCPJXMBQB-LLVKDONJSA-N 429.824 0.869 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn(C)c3N)c2)cc1 777795574 DBROEBFAGWASIU-UHFFFAOYSA-N 444.473 0.887 50 20 ICGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 781239069 VHJRVUYYYDOYFB-UHFFFAOYSA-N 428.474 0.848 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN/C=C2\C(=O)NC(=O)c3ccccc32)cc1 783679859 OBEFKQAFMXTLSC-BOPFTXTBSA-N 428.470 0.547 50 20 ICGD O=C1COc2ccc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2N1 788698713 IZTCXHMDZQEVQT-UHFFFAOYSA-N 444.469 0.802 50 20 ICGD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 789871559 QQYWZGVIGRNOKG-ZDUSSCGKSA-N 432.568 0.982 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)nc1 797647454 HQUBEHNTAMYGIL-UHFFFAOYSA-N 436.450 0.069 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 799258997 QIWQIEAXZADNLL-UHFFFAOYSA-N 443.372 0.115 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 801798420 VEEKYNHUILDEPN-RDTXWAMCSA-N 448.501 0.914 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1COCCN1CC(F)F 806281095 MZWUPCXSRSNFGP-KRWDZBQOSA-N 425.480 0.312 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977591 PZGGRONGUHJJCO-LSDHHAIUSA-N 440.456 0.395 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCSC3)CC2)cc1 810592103 KLROTGLERDOPGU-MRXNPFEDSA-N 440.591 0.592 50 20 ICGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 810593259 WBSGXKZNIQSNFA-UHFFFAOYSA-N 442.472 0.523 50 20 ICGD CN1C(=O)CCc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 813033165 HRUXFDLHEDEOMM-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 814271255 YEJMMBSFHKTDDZ-LBPRGKRZSA-N 426.543 0.785 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 815691735 ZOYAFOANWVMTEY-LLVKDONJSA-N 428.840 0.466 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 815778742 DKYOEHFYZMQWRK-MRXNPFEDSA-N 435.433 0.923 50 20 ICGD O=C(NNC(=O)c1cccc2c[nH]nc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 828124880 SUGKRCZHGCEOAR-UHFFFAOYSA-N 429.458 0.659 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 914460583 FNYFQISGLLYYOT-HNNXBMFYSA-N 443.504 0.843 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914751236 QGPRQRBZMFXJNW-UHFFFAOYSA-N 433.446 0.331 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 915893752 APKBFEARNDJTJC-GOSISDBHSA-N 446.529 0.935 50 20 ICGD CCO[C@H](C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920444442 HCRJBLQXCKJLFV-CQSZACIVSA-N 442.476 0.000 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1nc2ccccn2c1=O 1317789979 QXGMGWZYBMLKEU-NSHDSACASA-N 434.250 0.873 50 20 ICGD Cn1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1=O 1319352758 HIXAMMCWTJYSOI-UHFFFAOYSA-N 426.886 0.373 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1779558400 UICOVDSHEROTTF-MBOZVWFJSA-N 443.617 0.503 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779935031 JHODBBIXKFWQRT-ZUOKHONESA-N 437.928 0.968 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2)NC(=O)NCc1ccccc1 1780968923 RASMBOAIVKQOQG-NRFANRHFSA-N 447.511 0.665 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1781814366 NHKPAMYWMWQBTN-CJNGLKHVSA-N 433.230 0.937 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966960 MCVVHXFFCPUWGM-NRFANRHFSA-N 431.468 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cncc(O)c2)C1 1782041923 BVQRMJFHXKPHPF-DYESRHJHSA-N 433.509 0.288 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(F)CCC2)C1 1782819112 NFZQIQVDOXQQOQ-OXQOHEQNSA-N 433.484 0.705 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782967764 ULACXBNKHIYRLF-YJBOKZPZSA-N 429.832 0.706 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783345384 ZVSQXMLZJPZZCE-FZKQIMNGSA-N 439.310 0.798 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783937825 OWOWYPIZILBYRO-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1783970342 SFXFBYFWKRRANO-UHXUPSOCSA-N 427.299 0.394 50 20 ICGD CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784536122 NBPDQUBJNMOUON-STECZYCISA-N 435.550 0.233 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787385708 NIPODVQVXQATFQ-BPUTZDHNSA-N 447.568 0.880 50 20 ICGD Cc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610883 ZDGMWSAQNBKKEA-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788630563 UTKANBJDEGQLOC-YXMSTPNBSA-N 425.917 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4[nH]ncc34)C[C@@H]21 1791289260 QNZWDXMSYRQYBT-FNHZYXHNSA-N 442.520 0.529 50 20 ICGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983951 VVOFBQNVGBSGIR-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1793314038 ZLLRJBRCRJUHPK-VBTGVMJWSA-N 444.381 0.140 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(OCF)cn1)c1cccc(B(O)O)c1 1794727414 ZNYLKEZZWVXRMN-MUJYYYPQSA-N 428.229 0.028 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795466640 KYBGNXZXPDJOAW-PNBKFKSVSA-N 432.359 0.329 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2 1797750785 SSXDXCKIXCHDEU-JLVBRIDZSA-N 449.471 0.030 50 20 ICGD CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439150 IJAWCUUJVCLDNT-QDMKHBRRSA-N 427.509 0.219 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800078949 RHKKPNAUXSDGKK-MQPMOYQSSA-N 428.280 0.301 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800756096 FZHDMEIRNCSMDR-MCYUEQNJSA-N 428.283 0.382 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnn3c2OCCC3)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803147007 FXKUHMVXNBNNGH-BHYGNILZSA-N 433.896 0.980 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807054300 HCQCEGVTCGRXIR-PCBIJLKTSA-N 440.342 0.464 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373922 DQMIVNJSYGTIMU-FPOVZHCZSA-N 446.272 0.028 50 20 ICGD Cn1cc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1813458641 UYYYPFHBHULHDQ-SIKLNZKXSA-N 447.304 0.057 50 20 ICGD CC(=O)C[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361972 WNTKQVQHWWVYAO-XHDPSFHLSA-N 429.307 0.664 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cncc(O)c2)[nH]n1)c1ccc(B(O)O)cc1 1817475663 QOALUCHYXBIKGO-GOSISDBHSA-N 435.249 0.810 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)N1CCN(C)CC1 1820783363 RYTYCGJOAVESOL-VNQPRFMTSA-N 426.949 0.637 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C)CC1)CC2 1826000613 YPEYKVQSSDDWQC-OLZOCXBDSA-N 429.974 0.556 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826717854 JPWDEOPHRFXPPK-LJQANCHMSA-N 437.585 0.311 50 20 ICGD CCOc1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730744 DHWHBRUBHWYSKO-OXJNMPFZSA-N 426.897 0.755 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830966572 BNRVTWFLNSASRR-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832165979 ICCRQIKYNWBZDO-GLQYFDAESA-N 432.823 0.010 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833669497 XBMWNXXYFWZYBS-MRXNPFEDSA-N 433.278 0.712 50 20 ICGD O=C(c1scnc1C1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833725425 GZURXPZYNUWLFO-SCLBCKFNSA-N 429.926 0.690 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1=CCCC1 1834372360 UHYUHOUPQJFTFF-UHFFFAOYSA-N 425.338 0.662 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526571 HUTJAKMUKGYFFE-DOMZBBRYSA-N 429.359 0.620 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836397999 YGBMWUUWRXPOPS-HNNXBMFYSA-N 430.933 0.118 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508312 VIBIXLVQNGWUES-BMIGLBTASA-N 446.258 0.171 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836806571 MZKQZVBAJVLHKK-UHFFFAOYSA-N 444.337 0.594 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837394947 LYBULHRAOPBRPP-RDTXWAMCSA-N 433.343 0.801 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709409 ZXHCDUJSKURTKN-QGZVFWFLSA-N 443.602 0.501 50 20 ICGD O=C(c1ccc(CO)o1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837970131 DCLRYPDKPXELIL-BBRMVZONSA-N 435.246 0.532 50 20 ICGD C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839743236 FKNYGLQCYONFSY-RWSPSULHSA-N 448.470 0.923 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840153903 FJAJSXZEQQQIFB-GUYCJALGSA-N 435.308 0.397 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014247 PHEOBJPEWJSPCT-UHFFFAOYSA-N 439.668 0.193 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1F 1843014592 CMYDXJSPNOLQMF-UHFFFAOYSA-N 443.259 0.841 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2 1846384569 IKQMAKWVMJTFCK-UHFFFAOYSA-N 433.900 0.801 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 11238048 MATKGSVHBUZSLL-ZDUSSCGKSA-N 426.429 0.703 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)n1 14375143 HEUYPCHAFHSGGQ-UHFFFAOYSA-N 442.505 0.820 50 20 ICGD NC(=O)NCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 28196921 MLDQTTOGAXTPQS-UHFFFAOYSA-N 425.511 0.461 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)Nc1cccc(N2CCCC2)c1 725871719 QEFKTFSACMNMLG-CQSZACIVSA-N 442.476 0.967 50 20 ICGD O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NNC(=O)C(=O)NC1CC1 726714581 FZHDSJZLBGSSBN-UHFFFAOYSA-N 431.474 0.596 50 20 ICGD NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 727066426 WSQOVIVCCKPBOD-UHFFFAOYSA-N 441.922 0.735 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CCN2)NNC(=O)[C@@H]1COc2ccccc2O1 729723450 WXMXMSPXAYGBFP-KRWDZBQOSA-N 440.412 0.585 50 20 ICGD COC(=O)C1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 730131321 UAHNOYGYWHHYDN-UHFFFAOYSA-N 440.522 0.678 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730514628 BMUOHKYNJFPDMG-SECBINFHSA-N 435.238 0.449 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnnn1-c1ccccc1 730672962 QBODKBBKKAVTDB-UHFFFAOYSA-N 449.519 0.705 50 20 ICGD COCCn1nc(C(=O)NNC(=O)COc2ccc(Br)cc2)ccc1=O 732679167 RYOGUERXFZIEFY-UHFFFAOYSA-N 425.239 0.492 50 20 ICGD O=C(CCCn1ccccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 734989785 RKOQJCZGFDFRHF-UHFFFAOYSA-N 432.502 0.874 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)C3CCC3)CC2)cc1OC 735517725 GAAJQVFOBFQKRQ-UHFFFAOYSA-N 440.522 0.987 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744383950 AFBVCIXFPBKWSD-QZTJIDSGSA-N 440.548 0.441 50 20 ICGD Cc1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c2c(O)nn(C)c2n1 744618793 CJDQSCAPNUQKJH-UHFFFAOYSA-N 446.489 0.760 50 20 ICGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 744827254 GBUDZFOOZRZQPP-INIZCTEOSA-N 436.490 0.433 50 20 ICGD COCCS(=O)(=O)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 747778049 AMAQZJMRRRDZNO-FQEVSTJZSA-N 445.541 0.822 50 20 ICGD COCCCn1c(S)nc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)ccc2c1=O 748247578 RJVQVUCRHGLXTJ-UHFFFAOYSA-N 433.490 0.105 50 20 ICGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)C(=O)NN=C1C(=O)Nc2c(C)ccc(F)c21 750917120 ZLNSFPAZSINKJU-UHFFFAOYSA-N 440.366 0.827 50 20 ICGD Cc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)o1 752362778 NKPZXIBSYHVRRZ-UHFFFAOYSA-N 436.494 0.079 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cc1 752907792 NJZRBKDRSSGBJP-UHFFFAOYSA-N 444.473 0.314 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 755615920 VQOMPDHEFGXBTR-LLVKDONJSA-N 430.483 0.340 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)ccn1 763092646 QLMQNUOKLUFWCV-UHFFFAOYSA-N 425.449 0.815 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 763540123 RJUPRJMCOOPLAD-UHFFFAOYSA-N 431.401 0.883 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763569056 VSIYEAPIJYUIMA-UHFFFAOYSA-N 438.437 0.150 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(N)(=O)=O 763665814 OSFMMKUJGJLNPV-UHFFFAOYSA-N 448.501 0.678 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cnn1CC(C)C 763790755 OBMIRQZQDQPYFF-UHFFFAOYSA-N 439.476 0.748 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 763813183 YBTWOVDIIIPPKT-UHFFFAOYSA-N 435.440 0.765 50 20 ICGD Cc1ccccc1COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764228638 ZKBAWDPZLLNMDH-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)Nc1cc2c(cc1Cl)OCO2 764258821 ABLPWNLETXUBLC-UHFFFAOYSA-N 446.851 0.861 50 20 ICGD O=C1C[C@H](c2cccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)c2)CN1 764401722 QZHNCZRADRYPRG-ZDUSSCGKSA-N 428.470 0.874 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)COc1ccc(C#N)cc1 764525315 RZBUHPMTBYVWAC-CYBMUJFWSA-N 427.442 0.323 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCCN(C)C)CC2)cc1 766635714 DJPKKBSFRFMVMP-UHFFFAOYSA-N 439.582 0.181 50 20 ICGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 770770353 KXGGLIWDZMSILS-LLVKDONJSA-N 449.327 0.826 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 771942934 YPLCHOMRLPZREI-OCCSQVGLSA-N 427.479 0.247 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 771974454 MEKBAUYXFUOCEA-NSHDSACASA-N 447.897 0.464 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 772160088 MVQLCMWUCXWKDL-ZDUSSCGKSA-N 441.506 0.287 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 781528794 CZSWKGTXCRVQJG-HNNXBMFYSA-N 425.507 0.903 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 784214524 ZAJMQXLQAGXRGD-UHFFFAOYSA-N 449.493 0.074 50 20 ICGD COc1cc(NNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)ccc1Cl 793069937 UZGNCMOJKSXJNO-UHFFFAOYSA-N 433.852 0.988 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(OC(F)(F)F)c1 793449458 CPTCMHAHQYDDPB-SECBINFHSA-N 449.367 0.447 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc(Cl)cc1F 793602262 RSAVAWAHBNGAFV-QGZVFWFLSA-N 426.832 0.856 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cn(CCOC)c(C)cc2=O)c2ccccc2c1=O 806300829 QCXRVCOIFXVXJA-UHFFFAOYSA-N 439.472 0.998 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3F)c3ccccc32)N1 806972759 KJHXXCUNUNCVGL-KBPBESRZSA-N 440.431 0.622 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806975720 MFPBRMSTXOEBFY-CVEARBPZSA-N 436.468 0.792 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1F 806975852 RDYIKXGPCXLLPT-UHFFFAOYSA-N 447.448 0.625 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)C(C)C)c1 812440863 KKJBYXJAVPWRMX-UHFFFAOYSA-N 448.567 0.484 50 20 ICGD O=C1NC(=O)C(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)N1 814212157 GOWQCRUPQIWYLZ-UHFFFAOYSA-N 449.832 0.593 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)nn1-c1ccccc1[N+](=O)[O-] 816883508 DVXYIQJFMSCZOV-LBPRGKRZSA-N 438.404 0.064 50 20 ICGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 819745147 RQTBNZXOTRYYLZ-UHFFFAOYSA-N 440.566 0.921 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1cccs1 848978634 LYRBOBWUNKJMEF-LBPRGKRZSA-N 445.453 0.877 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 913455159 OLSDVESHNJHHHO-UHFFFAOYSA-N 425.438 0.729 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1C 914602498 TUWIJULQBKBGIF-UHFFFAOYSA-N 448.457 0.085 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc(OC)c1OC 915188139 VGUBOABRQVNKQH-UHFFFAOYSA-N 429.476 0.425 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(-n3cncn3)c2)c1 917501595 VMYHQCKDQPPPKP-UHFFFAOYSA-N 443.489 0.768 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 919839562 NBGFXTIPVXMLDM-NXEZZACHSA-N 434.301 0.928 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O 1323179801 LHCDPJBFRHDATQ-UHFFFAOYSA-N 426.477 0.761 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCC(OCC(N)=O)CC1 1331420635 ZONLUZKUFHIFGE-LLVKDONJSA-N 443.298 0.924 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777995501 JRMRGYNGBYBBCU-HRAATJIYSA-N 448.907 0.700 50 20 ICGD O=C(c1cnn2cccnc12)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778445695 IIRJCRUQJFDUDJ-LRDDRELGSA-N 426.246 0.863 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1781230351 RGTNHJZRXRXADM-RBUKOAKNSA-N 449.379 0.217 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(F)c1 1781597631 IIPXPYIVRNPNDC-NRFANRHFSA-N 436.484 0.651 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1782170450 LXDBSCMCTAHHMK-RZQQEMMASA-N 425.913 0.616 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1783873961 ALTHUPYQSVQECK-SZNDQCEHSA-N 448.907 0.631 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933024 OSXZLQGYZWNXGY-CXAGYDPISA-N 433.347 0.220 50 20 ICGD Cc1nccn1CCCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784411342 FOJFZGWGUOCIRO-OAQYLSRUSA-N 434.541 0.175 50 20 ICGD CN[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(=O)NN(C)C)CCC2)cc1)C(=O)O 1788065487 WJGOJMRRQFYXJJ-INIZCTEOSA-N 433.509 0.556 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813280 JITHONDXNHEWEQ-WDCWCFNPSA-N 430.259 0.695 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1789873181 QCQANCGGENOPRV-QCQGSNGOSA-N 429.366 0.637 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1S 1792579926 VIXALOBWDAQJPG-CLLJXQQHSA-N 426.502 0.934 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2)[C@H]1SC(=N)NC1=O 1796421820 GFTUBBVQVTWZMV-UJPOAAIJSA-N 430.958 0.643 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)n1)C2 1796441704 SQMPGXCIGRMRLR-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccn3nccc3c1)C2 1798440574 QMDALQMWSKUYTF-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1)c1ccc(B(O)O)cc1 1799929395 NZCQDFPVTNSVQW-RACLHMPKSA-N 439.321 0.019 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnc1 1803308419 OINBAGGQAGZCOE-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803937780 AARKXQBJCYCKDF-JBACZVJFSA-N 436.321 0.175 50 20 ICGD Cc1onc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1C 1807361815 HVZHXPOAABSHNI-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD O=C(c1cnc2[nH]ncc2c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978829 VQUMLUJFYLDPQT-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@H]2c2cccnc2)=NN1 1810223427 NSMZXKUDYOUZHK-BPNCWPANSA-N 426.246 0.654 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1 1810297905 GBGVDQXKXJRCBQ-QAPCUYQASA-N 446.471 0.504 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3[nH]nc4ncccc34)C2)CC1 1810668624 LYUPGPVQFPKRAW-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1810953251 IBQKUCADBVMNRZ-KSSFIOAISA-N 429.481 0.203 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1813070132 GHRYEPBWEMQDFH-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1=COCCC1 1813114811 SAXYPNRARWKKEP-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813177258 MMYDYPGKXMFJPQ-XAYKYTGQSA-N 449.305 0.796 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343603 CTSZIJPRBFZBFJ-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350355 RVSSHIAPZOTXJL-BBRMVZONSA-N 431.323 0.456 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475220 LIIYYSRRMDCHOX-SJORKVTESA-N 446.338 0.509 50 20 ICGD CCc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n[nH]1 1817702929 JRCVPRWGONWASD-GOSISDBHSA-N 436.281 0.995 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnn(C)c2)[nH]n1 1822417107 ZZLCMBFZSLSTRS-INIZCTEOSA-N 430.513 0.751 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822589934 QYAINGSXPNIUOI-NVXWUHKLSA-N 442.350 0.533 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829786885 FUXWGXALSCDRLU-JOCHJYFZSA-N 438.569 0.808 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725620 KYKDEIHYWOQZSZ-LPHOPBHVSA-N 429.901 0.280 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833266244 XAGFXUBAFPOHTL-LBPRGKRZSA-N 432.363 0.257 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1834818976 HATSMUHINMPZHD-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819242 LRPHSIRNYVANMR-QGZVFWFLSA-N 427.299 0.640 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835832046 XVYRFUXIAUJSQB-RHSMWYFYSA-N 428.961 0.503 50 20 ICGD Cn1c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cccc1=O 1836715688 WPGMUCJULQAXQI-KRWDZBQOSA-N 425.913 0.597 50 20 ICGD O=C(Cc1ccc(O)cn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720574 XJUBOEBOLIXINX-GOSISDBHSA-N 425.913 0.928 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1836920226 YWQBPBGFKZUNFF-HOTGVXAUSA-N 442.944 0.991 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296695 IWQVILJLNPSRIB-GDIGMMSISA-N 441.843 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837691181 IMQMQYYFPYUXSX-GQIGUUNPSA-N 441.912 0.120 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838346694 YRWWBYXBYOYZCM-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD CSc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1O 1838562394 DQOWRUMHBKJUMB-IFXJQAMLSA-N 444.937 0.784 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839196969 AWLCYGAMAMCRFJ-ZENOOKHLSA-N 438.294 0.048 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1O 1839269980 YNHVOVGNMRLBKL-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839317546 IONMHARIVFGRFK-HNAYVOBHSA-N 430.860 0.855 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840032262 SWVOOJNHLAJCFT-SJCJKPOMSA-N 443.298 0.339 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840152571 MKXHIRHVMMXGDY-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)[S@](=O)c1ccccc1 1843012089 BWYGBAMYMQCGKD-ZYSBOAIWSA-N 440.330 0.380 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(C#N)c1 1843014564 ZNVWJGMOGXZCJW-UHFFFAOYSA-N 433.273 0.306 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844263758 RKCILYKTZSWCSQ-UHFFFAOYSA-N 425.493 0.767 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)c1OC 1845425339 YGAVOMSRLUUAEZ-UHFFFAOYSA-N 440.261 0.220 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)[C@H](O)CCl)C2 1847563745 PITWKYFNRQSKTL-ORIJERBGSA-N 438.912 0.424 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17193643 IAHZFLUAVHYYAZ-ZDUSSCGKSA-N 443.485 0.370 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc2c1=O 46570549 NDIAYQCUFXEHEG-UHFFFAOYSA-N 432.440 0.978 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 726293757 LVFJXUOFHVKAJC-UHFFFAOYSA-N 443.279 0.719 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214360 MSBYAKAIZXELGW-UHFFFAOYSA-N 446.595 0.671 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728984040 ZGNMQFMMVWTKAW-ZDUSSCGKSA-N 436.476 0.535 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CNc3ccccc3)CC2)cn1C 729513630 CUZJIWAWYVMLCQ-UHFFFAOYSA-N 434.522 0.389 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1 730032048 GQADWUNHTAWSTA-UHFFFAOYSA-N 430.364 0.753 50 20 ICGD COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 730765726 MXFCRAIZYNVUHF-ZETCQYMHSA-N 445.288 0.341 50 20 ICGD O=Cc1ccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])c1 731596910 LFCSDBILGNKZIY-UHFFFAOYSA-N 435.418 0.540 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OCC(N)=O 732263863 PJRWICXCRUFQMF-RYUDHWBXSA-N 442.900 0.473 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNc1ccccc1S(C)(=O)=O 732304917 ZRTAPSXAWMKFST-UHFFFAOYSA-N 430.490 0.924 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C\c2cc(Br)c3c(c2)OCO3)c(=O)n(C)c1=O 732578132 GGYZJHLHTUYNJT-OQFOIZHKSA-N 433.218 0.947 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CSCc2cccnc2)CC1 735117282 OVJZWVRBIHCILE-UHFFFAOYSA-N 436.563 0.789 50 20 ICGD CCOCC(=O)NNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 735586858 QGFMTOINAKAFNH-UHFFFAOYSA-N 444.510 0.224 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 742077351 ZBDFOCQHQYBARN-ZDUSSCGKSA-N 445.505 0.351 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NC1CCCC1 744053248 LXMLATVVJUCASM-MRXNPFEDSA-N 440.522 0.989 50 20 ICGD COCCN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1=O 747943100 JPDJZCUJZMKWAY-GFCCVEGCSA-N 439.519 0.882 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 751201777 LDZZBVHHJXGBRB-UHFFFAOYSA-N 434.474 0.692 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751201950 NUOCIAIMOGCYJE-HNNXBMFYSA-N 428.445 0.860 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC2=O)c(OC)c1 751207578 ZHBNQMRDCAIUKA-LBPRGKRZSA-N 430.417 0.227 50 20 ICGD NC(=O)c1cccc(OCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 751683873 JMYBMQAKOVQRAS-QGZVFWFLSA-N 443.412 0.085 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cnn(CC(F)F)c2)cc1 756709978 RMWTWNGMVLNAMJ-UHFFFAOYSA-N 430.437 0.930 50 20 ICGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 759089335 KCTSXZACUNHFLA-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 761063956 OMXRXMZEPXWMSW-UHFFFAOYSA-N 446.913 0.493 50 20 ICGD O=C(NNc1ncc(F)cn1)c1cc(I)ccc1-n1cnnn1 762093129 KZEPVEMAHPBUKX-UHFFFAOYSA-N 426.153 0.953 50 20 ICGD COc1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1S(=O)(=O)N(C)C 762858132 ZTGBQUAAXGDYJY-UHFFFAOYSA-N 436.494 0.329 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763681168 LVSGKUFTNZTDDQ-UHFFFAOYSA-N 434.399 0.966 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1C 764160692 GWOVKVUGMDZIGS-UHFFFAOYSA-N 434.474 0.506 50 20 ICGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)c1 764277978 OTLODFNJFRUUDM-UHFFFAOYSA-N 439.197 0.792 50 20 ICGD COc1cccc([C@@H](O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765177948 VGEPSIIOUGJTTL-HXUWFJFHSA-N 426.473 0.334 50 20 ICGD Cn1ccnc1[C@H](O)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 771949355 RGNQVBCQZVLHLC-MRXNPFEDSA-N 425.453 0.196 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 773645339 YYWFLZWYZHBWNF-BETUJISGSA-N 445.436 0.509 50 20 ICGD CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NN(C)C(N)=O 778411208 AVLYPYWCSBZUDD-YGRLFVJLSA-N 447.945 0.777 50 20 ICGD CN(NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)C(N)=O 778415273 CTWOUKBNRLVQRT-UHFFFAOYSA-N 425.330 0.953 50 20 ICGD O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 778515547 PFASXJDHIRQINV-CVEARBPZSA-N 440.478 0.024 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Br)cc1Br 779844226 GOMNXVQYRZMCNX-UHFFFAOYSA-N 445.089 0.877 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CCS(=O)(=O)C1 783426630 IHBQBEUHEQMQMH-FZKQIMNGSA-N 429.470 0.520 50 20 ICGD CC(C)c1nccn1Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000697 YDQZHHPTRNRVQQ-UHFFFAOYSA-N 426.477 0.763 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 785715601 HFGSUKWBRKNFTQ-QZTJIDSGSA-N 440.456 0.304 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)NCc1ccc(Cl)cc1 787436254 SVQFVTIMORZQLJ-KRWDZBQOSA-N 437.928 0.884 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 792807234 OCPGUBBSZCHOCU-UHFFFAOYSA-N 449.489 0.352 50 20 ICGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795290284 LCKRAPKRNLELTE-UHFFFAOYSA-N 427.208 0.331 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1C(N)=O 797009412 RQSVZLOPADTEIM-UHFFFAOYSA-N 430.417 0.443 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1OC 799858008 YNYPCEMHNLVHFY-YPMHNXCESA-N 444.510 0.374 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2O)c1 810176871 ALQCOHYBYQTTSQ-UHFFFAOYSA-N 425.850 0.988 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)CSc1ccccc1O 810807379 OYGUNWGIJYFSEW-UHFFFAOYSA-N 431.442 0.888 50 20 ICGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc(Br)cc1Cl 811874048 HUFOLZDXDBURNH-UHFFFAOYSA-N 427.708 0.938 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 819657664 FPTZWCNGOISVAL-CYBMUJFWSA-N 439.513 0.892 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1nnc(-c2ccccc2)n1 821708277 HHXHAOCCNJEOQU-UHFFFAOYSA-N 434.504 0.700 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 863999639 WSMBPKDOTUFNJS-QFIPXVFZSA-N 440.456 0.997 50 20 ICGD O=C(COC(=O)CSCc1cc(=O)n2ccsc2n1)NNC(=O)c1ccccc1 913252231 FOJKQOKBTRASNW-UHFFFAOYSA-N 432.483 0.994 50 20 ICGD O=C(COC(=O)CCNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 920555804 NAGKBUBQGJMINM-UHFFFAOYSA-N 432.364 0.858 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 1253200150 HZEHTSKLDLIVCG-ROUUACIJSA-N 438.550 0.802 50 20 ICGD Cc1ccc(F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029241 PSYYCBSVJZCQPE-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1779085872 QZQFFKIQJBYTPU-VQTJNVASSA-N 442.582 0.449 50 20 ICGD O=C(c1cc2cccnn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779960266 DQXNSFDYTDSXOK-CZUORRHYSA-N 426.246 0.863 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1780095864 YRJBFEDRXRQHIS-UTKRZORCSA-N 447.444 0.735 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cccn1 1782214006 GWRKILCLMALEGQ-CSODHUTKSA-N 434.541 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H]1CCOC1)C2 1782214715 YTGSWAOVELENLD-JBYIUTFZSA-N 438.569 0.690 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317371 LKPLQYSLTWZNNE-VEVIJQCQSA-N 442.310 0.209 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@H](F)Br)CCO4)C3)(C1)C2 1783445142 WASIILXUAZPPQB-QANALZHHSA-N 433.274 0.850 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1783880108 BLAPGJZHBATSBV-UWJYYQICSA-N 436.940 0.467 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984876 UECALSGHPQXGSS-KNBMTAEXSA-N 444.243 0.552 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn3C)C[C@@H]21 1787508898 PYZZRFZJSLOZNK-LVWMUPNFSA-N 440.504 0.752 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccn1 1791713540 NOGNHQNFIWLOBP-HRDWYUFVSA-N 437.305 0.158 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1792870822 WCGIIBFGDCGCNI-NRWUCQMLSA-N 429.315 0.975 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C 1792913862 JISBTIKNVMTGHH-DOTLBGKQSA-N 433.509 0.117 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(O)c1OC 1792979732 DAHDJQAGHMGCDT-WJNVRWDZSA-N 428.869 0.212 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2)C(C)(C)C 1793196677 JSMONVQVFRVFMT-XKNKYKOPSA-N 432.359 0.910 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCBr)CC2)CC1 1795114990 VNSBCSSEZKLEPK-SCAQPMJSSA-N 443.386 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(F)(F)F)cn1 1796070232 CMSREIRNFWGFCB-MIJXAVMKSA-N 436.818 0.952 50 20 ICGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc(C)n1 1796696379 RWJZCVNZCUBMCE-RMFSNUHRSA-N 437.305 0.149 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C(=O)OC(C)(C)C)C1 1797147732 UUCJDCJHZPWERK-FZKCQIBNSA-N 445.944 0.697 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2)NC(=O)NCc1ccccc1 1799095323 NSQKHUCKQLSUNM-IHEQNBGGSA-N 447.511 0.280 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1799415793 KPSDFJHQPHSNFL-MUJYYYPQSA-N 443.696 0.989 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCC1(F)F)C2 1801010825 XIELKAYXBGASPU-KRXQYRFLSA-N 430.496 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1N)C2 1801012993 JNNPPTGCOUCWSB-YAACOUJCSA-N 429.521 0.245 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1804696916 LXAWGPXYSLWJDY-JTSKRJEESA-N 439.520 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806925059 BEWSMHSRJORLEA-HTAPYJJXSA-N 444.536 0.083 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1810783914 ZORKMUDISSOJAP-GJZGRUSLSA-N 447.960 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811545322 RTYSTBZQYKAAGD-UTKZUKDTSA-N 437.504 0.974 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068510 NQLGAEUUADRTHA-DBXWQHBBSA-N 446.552 0.375 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819876274 FHUQDTNJIXBEDO-ABAIWWIYSA-N 430.958 0.971 50 20 ICGD Cc1nccn1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821729622 MRZSODCRPLJDBB-GOSISDBHSA-N 436.281 0.601 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542862 YLBSCVRLIJRMMI-QWRGUYRKSA-N 425.898 0.566 50 20 ICGD COCCOCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925744 QTSSMQVQJGVYSA-LJQANCHMSA-N 447.536 0.581 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829864896 GEYXCTOLBLFPBS-JDFRZJQESA-N 434.331 0.141 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830617798 VMUVZZYBKYKWEU-QWQRMKEZSA-N 435.359 0.881 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1831651860 UDVLAOPROFDWIP-SCLBCKFNSA-N 428.921 0.183 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)n1 1833041328 TYWCCWYSPXYIAC-MAUKXSAKSA-N 443.342 0.740 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1)[C@H](O)CCl 1833310705 YSGKUEDRMQTVGG-MRXNPFEDSA-N 430.933 0.000 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833583128 NIICLXFUUGBEFF-UGSOOPFHSA-N 448.303 0.764 50 20 ICGD O=C(c1cncn1-c1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833652459 NVYUODUXHLOTBR-QFBILLFUSA-N 437.859 0.872 50 20 ICGD CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421463 IDEUPHKHNQOGNB-UHFFFAOYSA-N 446.390 0.614 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CC4(CCC4)C3)C2)C1 1835934455 SWZIFWURTRVEHD-QHCPKHFHSA-N 442.321 0.017 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n[nH]1 1836280703 BZOYBBYSFWGRMQ-CJNGLKHVSA-N 433.278 0.733 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837082564 YPPBMSQXBCFQML-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404941 TXAZEFBRPGBLLG-XLIONFOSSA-N 431.961 0.653 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839152096 NPSBJFNSRJCKIO-CABCVRRESA-N 447.262 0.789 50 20 ICGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839199602 QTDYGYMDJHKXDU-RDJZCZTQSA-N 447.305 0.500 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839203303 HTPUQEUINRAWSC-HACGYAERSA-N 447.305 0.899 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)ccc(O)c3F)CCO2)C1 1839412301 PIOCWYGGZGSQFG-HXPMCKFVSA-N 448.850 0.994 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840033913 UPVZVBUSVVGDMN-WQEAVSRRSA-N 444.326 0.061 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1840135454 SMYIWYZNXFDQBF-MMOPVJDHSA-N 438.908 0.436 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840932567 NSAUETRQMLYLEK-UZLBHIALSA-N 444.887 0.433 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353765 OPFCMQUQFPICST-RDBSUJKOSA-N 431.917 0.160 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)NC(C)(C)C 15758820 AIWVVTVONQSMPX-UHFFFAOYSA-N 430.552 0.624 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C(=O)COc3ccccc32)c1 16594095 ZOCMPUNINJVDEI-UHFFFAOYSA-N 446.485 0.514 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 57543742 NLJXCNXECOFJTP-UHFFFAOYSA-N 436.402 0.678 50 20 ICGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)CNC(=O)c1cccs1 725902692 RGYVYLJRRCXDIK-UHFFFAOYSA-N 444.922 0.647 50 20 ICGD CN(C)N(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 728178975 FZBXRNACZIVSMD-HNNXBMFYSA-N 435.543 0.719 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1F 728944108 LWARZKWTZFQTSP-UHFFFAOYSA-N 443.483 0.901 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CCC1 732141432 QSXOCVFGODUHCU-ISBHARSQSA-N 443.547 0.328 50 20 ICGD COCCN(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)OC(C)(C)C 733947671 DCUJWKZRFGSWFM-UHFFFAOYSA-N 443.526 0.624 50 20 ICGD CS(=O)(=O)Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 734806903 OXWJTPNHWCCJRD-UHFFFAOYSA-N 426.472 0.626 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(NC(=O)NNc3ncccn3)CC2)cc1OC 735588038 YTHVTJZKRDHGQT-UHFFFAOYSA-N 436.494 0.973 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 741074095 VQIOSSDNJFYKGR-STQMWFEESA-N 430.527 0.541 50 20 ICGD CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cn(CC(N)=O)nn3)cc2)cc1 742470490 SYQODGBARVSGES-UHFFFAOYSA-N 438.444 0.816 50 20 ICGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNc1ncnc2[nH]cnc12 743471736 TZDMMWWZAHRNSV-UHFFFAOYSA-N 440.283 0.927 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C[C@@H](C)OC)N(S(C)(=O)=O)CC2 749719899 GWSCNSZIFINMDL-DOMZBBRYSA-N 443.522 0.525 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 756292678 DALABUYZWCDVEO-OAHLLOKOSA-N 447.492 0.704 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OCC(F)(F)C(F)F)nc1 756411392 PIFRHTQCGKUDDX-MRVPVSSYSA-N 428.364 0.948 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)c2ccccc2c1=O 757628759 KQCPCIKFBPGQSG-UHFFFAOYSA-N 447.473 0.902 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1OCc1cn2ccccc2n1 758045859 QANMRUMVOGHTTJ-ZDUSSCGKSA-N 431.474 0.612 50 20 ICGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)C(=O)Nc3ccccn3)n2)cc1 758832092 SLCHVBTUALYYDT-UHFFFAOYSA-N 439.432 0.396 50 20 ICGD C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763461431 ZLEDFVCGGLITJC-ZDUSSCGKSA-N 433.432 0.405 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 763679854 DIFUFQZJPRYARU-OAHLLOKOSA-N 431.449 0.626 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1Cl 764275696 QUIBBWVSXIZOOV-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764425710 RCORVSJAYRWJQV-ZDUSSCGKSA-N 430.255 0.738 50 20 ICGD COc1ccc2c(c1)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCCO2 764819209 TYWPMBGUPZTORK-UHFFFAOYSA-N 426.433 0.135 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3CCCCO3)CC2)cc1 765730993 YKJOSYMIFDIDOI-KRWDZBQOSA-N 438.550 0.408 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1C 767232081 HGOQWIFGEDSVHP-UHFFFAOYSA-N 447.513 0.823 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 768244820 NKBZKBNXANLWBO-STQMWFEESA-N 427.523 0.894 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C(=O)N1c1cnn(C)c1 770402291 ZWEUVOIZSXUHDV-ZWNOBZJWSA-N 442.484 0.841 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c2ccccc2c1=O 774274306 DIAPFTYNSGOUBQ-INIZCTEOSA-N 443.485 0.663 50 20 ICGD CCN(CC)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 787890216 XVAKCWSWIGIUDE-UHFFFAOYSA-N 436.476 0.904 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 798314370 IUROWJLNUGOHLD-DMTLFAOVSA-N 427.383 0.682 50 20 ICGD COc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc1F 802340334 IMDATFVVSOAEMS-GFCCVEGCSA-N 433.396 0.681 50 20 ICGD Cn1nncc1CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 807614681 BZMSTEDCHULWQI-UHFFFAOYSA-N 432.448 0.661 50 20 ICGD CSc1nc(C)c(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(O)n1 836848955 MMVLNXHGJYRFIV-UHFFFAOYSA-N 438.535 0.899 50 20 ICGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 915056437 HSMYAKMKZPEINS-UHFFFAOYSA-N 425.511 0.092 50 20 ICGD CCCn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 915190589 LXOKHUCCHJSRCQ-UHFFFAOYSA-N 449.514 0.519 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c2ccccc2c1=O 916636703 KDSCVYSTWLUKRW-FQEVSTJZSA-N 446.533 0.085 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCN(c3ncccn3)C2)nc1 916640673 OYOXJGZTEBSSMF-AWEZNQCLSA-N 434.526 0.853 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1 918699519 SLJGEGZJQQVMKD-UHFFFAOYSA-N 439.881 0.823 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 920826773 RZWUKXVYWSKOBP-UHFFFAOYSA-N 448.545 0.346 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)CCN1CCN(C)CC1 1320342936 MKADTJUCCWUULP-CQSZACIVSA-N 439.586 0.258 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331265 HHOJIDANUKEBJR-XJKSGUPXSA-N 431.262 0.800 50 20 ICGD O=C(c1cccc(N2CCOCC2)c1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781733668 KHEGJXNMUWOKHZ-NQIIRXRSSA-N 437.924 0.566 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782206433 JLGCRGBADLYIGR-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 1783933554 QAATYXKQHRBCJL-DEOSSOPVSA-N 442.560 0.921 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1783935591 WAUNWBIMOAFBGG-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938123 VGCYYSXOXIWUKT-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CCc2ccccc2[C@@H]1O 1784150311 VUALUEJVYDXEDJ-LBCBGTHCSA-N 436.936 0.862 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H](F)c1ccccc1 1784902810 VTQVLUVOLYDQAG-ZIBCJSCZSA-N 440.280 0.671 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n[nH]1 1789322066 LCXIVBHEKNBMBP-KNBMTAEXSA-N 440.309 0.120 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1O 1791293926 OZAJXMLEFXTVEI-LNLFQRSKSA-N 432.521 0.667 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)nn1C 1793127448 DBNZYBQMPKLNST-MBMVNNNZSA-N 427.343 0.892 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794037414 NEHKKARNUQVYFL-AODNKKSCSA-N 445.347 0.961 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2ccoc2c1 1799970680 NATSNQXEYFPHSM-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCc1[nH]cnc1C)C2 1800977364 YNJVOWKLZNDYGO-LOUJCGABSA-N 430.958 0.795 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1802338110 LFWIUCMBFZXTME-AJYBTWMASA-N 440.548 0.764 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)no1 1804490370 BRXWOUCULOIWCG-UWJYYQICSA-N 449.276 0.015 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)n2)[C@H]1c1cccnc1 1808304034 PFDRMCDGAYYIOX-DVOMOZLQSA-N 435.868 0.856 50 20 ICGD CC1(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)COC1 1810295818 YCXQXHYAQMQUIG-CRAIPNDOSA-N 438.488 0.436 50 20 ICGD Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)co1 1815354685 AOCSAVZAFRACTG-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817475867 XGTJOTJLXONUFU-LPHOPBHVSA-N 438.249 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 1817848503 NKQRRXIXPUGPEC-AWEZNQCLSA-N 445.480 0.895 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089644 JOJNBHFAQCRXQU-WCQYABFASA-N 443.595 0.542 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCS3)sc2C1)c1cccc(B(O)O)c1 1827285024 UUCXDGJEFHQDGP-ZFWWWQNUSA-N 431.348 0.944 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)o1 1830538724 OANJZOPKRCDXKX-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724621 ADJGJPRGOYUXGF-KNQAVFIVSA-N 447.919 0.833 50 20 ICGD O=C(c1cc(O)nc2ccccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727880 JAIAYFXLMDQZSQ-UTKZUKDTSA-N 449.891 0.610 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1831395220 RRSZQAKDPOXDMM-KWXFCVSUSA-N 444.536 0.876 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831651001 MTBLOFBRQMAUKQ-BEFAXECRSA-N 440.884 0.652 50 20 ICGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CCC1=O 1832380871 UYKIQJSLQLUNJY-ZWKOTPCHSA-N 449.335 0.287 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832830772 JNMITNUGGCQPLX-BEFAXECRSA-N 429.876 0.209 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1832928026 QJHPNFRRPQIYDU-GOSISDBHSA-N 426.546 0.228 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833583125 NIICLXFUUGBEFF-ACJLOTCBSA-N 448.303 0.764 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589164 JISXTBVZVGEDHM-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD O=C(CSc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835087256 JXTAWYNJOFZRRG-LPHOPBHVSA-N 428.938 0.835 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CN)CC2)CC1 1835118362 TXGIVAXTTSAUAK-SXJXFNOXSA-N 445.568 0.287 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839534162 ZJCLIRQIDUJETL-BEFAXECRSA-N 426.901 0.153 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1839898526 FCSFYFSMVMWTOP-LRDDRELGSA-N 433.299 0.179 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840031530 STBQENTXOKMWBO-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)c1 1840036524 MXGHKTJXNGRGGF-RKVPGOIHSA-N 443.342 0.992 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409993 PBZUNBJHYKONIZ-SUMWQHHRSA-N 443.298 0.095 50 20 ICGD CCOc1ccc(NC(=S)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 725881973 YJJUXZFSNMXVKF-UHFFFAOYSA-N 426.524 0.423 50 20 ICGD COc1ccc(-c2noc(=O)n2CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 726432364 LHWISIBRBABTHC-UHFFFAOYSA-N 443.372 0.890 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 729455981 KLNCVPUWDQNNSP-WCQYABFASA-N 436.494 0.745 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(OC)c1 730066399 FSAGDLBTNSSUKR-OAQYLSRUSA-N 441.444 0.903 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730582033 ZFUNPBIIKZMYBA-UHFFFAOYSA-N 425.536 0.350 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730813536 JKOOCJWQTAINCT-UHFFFAOYSA-N 428.488 0.801 50 20 ICGD Cc1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 732470875 UVAFBPJNNJNEFT-UHFFFAOYSA-N 447.517 0.598 50 20 ICGD O=C(NNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 733138668 HWDYSXWLJMMMOT-FEEIMYBTSA-N 443.485 0.370 50 20 ICGD CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 734122694 DMNWGNPMFPFRDQ-KNTRCKAVSA-N 447.561 0.629 50 20 ICGD CCN(CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 735117966 KLAQHVAHVZFCJR-UHFFFAOYSA-N 432.550 0.987 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cs1 743256412 BPNHOOPQFHAYQD-UHFFFAOYSA-N 425.492 0.551 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)NC2(CCCC2)C1=O 744920670 LXUYXKNVZSMRDG-LBPRGKRZSA-N 427.417 0.116 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)ccc1Br 745996106 MYMMZDMRZSZHHC-UHFFFAOYSA-N 435.300 0.386 50 20 ICGD COc1cc(C)nc(NNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 746769112 KVPYHCVSIOPYEJ-UHFFFAOYSA-N 428.515 0.393 50 20 ICGD Cn1cc(N2CCN(C(=O)NNC(=O)c3ccc(Br)s3)CC2=O)cn1 750268370 RFWQXIXRMHUINY-UHFFFAOYSA-N 427.284 0.947 50 20 ICGD C[C@@H](NC(=S)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CC1 751620979 NJZFLNRGQXNTSH-SSDOTTSWSA-N 428.316 0.186 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 755514783 CXHXBXHAMKQICL-UHFFFAOYSA-N 444.477 0.816 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 755586690 YOGQHMDHUQVIIY-UHFFFAOYSA-N 432.462 0.947 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(C(=O)NC3CC3)cc2)ccc1Cl 756866408 BMUIWIVMRJCRTH-UHFFFAOYSA-N 436.877 0.954 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 758040420 PNCFZAKITBBVOA-SJCJKPOMSA-N 446.485 0.328 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1CCO[C@H]1CCCCO1 758096528 VEEFSBGAQXFYRN-SFHVURJKSA-N 440.464 0.785 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccccn1 758834678 QAFNXIJIHKRGBZ-AWEZNQCLSA-N 431.474 0.268 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 758853094 IFOODKMTVFZBBC-UHFFFAOYSA-N 439.494 0.635 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 761726407 PTXHLTJYMARBPV-BUXKBTBVSA-N 435.506 0.838 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1-n1cnnn1 763603925 BYBGWLUJAFMZKQ-UHFFFAOYSA-N 447.415 0.461 50 20 ICGD O=C(NNC(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763748069 VWEKXIKYXLULTA-UHFFFAOYSA-N 429.820 0.792 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)c1 763757151 FEQMOJHMGKZZKR-UHFFFAOYSA-N 440.428 0.834 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)cc1OC 763903767 TWKNGVOVJVYWJB-UHFFFAOYSA-N 444.444 0.862 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)c1cc(Cl)ccc1O)S(C)(=O)=O 763979036 RHECEBNLRQATMR-UHFFFAOYSA-N 440.865 0.841 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763992939 KNWPXNLGZBMOJH-UHFFFAOYSA-N 437.478 0.074 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1 764077028 KHQGMIXSONSRFT-KQWNVCNZSA-N 435.506 0.776 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764151988 BKKLCKUXUBPHAZ-GOSISDBHSA-N 448.435 0.782 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 764258858 BEJSRMZJAAFZIZ-UHFFFAOYSA-N 448.386 0.801 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)ccc21 764382700 PYYHPRKUXVQWPS-UHFFFAOYSA-N 439.457 0.728 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 764401207 OLKYZZDASGNNRQ-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2cc(C)[nH]n2)nc2cc(S(N)(=O)=O)ccc21 765586738 IFJPOLKNTYHBJQ-UHFFFAOYSA-N 433.494 0.519 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 770128120 JXTAWIWGJCNDOM-CYBMUJFWSA-N 435.930 0.827 50 20 ICGD CC(C)N1CCC(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 771199591 GRSUHLCYOSBMHI-UHFFFAOYSA-N 441.540 0.507 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C(N)=O 774008102 FPPFPRSJBOBIMW-VIFPVBQESA-N 435.824 0.396 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 775189222 HNNHPQXSANVXJS-CYBMUJFWSA-N 449.489 0.957 50 20 ICGD CCOc1cc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)cc(OCC)c1OCC 776331920 CKSJXGNUDWKSNK-UHFFFAOYSA-N 438.481 0.686 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 781834220 KNMLWLDLKSQYAA-XLIONFOSSA-N 426.473 0.924 50 20 ICGD CN(Cc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1)C(=O)OC(C)(C)C 782967018 QWMHVCVNBSTIJK-UHFFFAOYSA-N 433.465 0.418 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccc(Br)cn2)c2ccccc2O1 784339335 GYDWNRTUWPRVHT-ZDUSSCGKSA-N 434.250 0.827 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 784917733 SROHSGRMFWLQQJ-UHFFFAOYSA-N 430.465 0.131 50 20 ICGD Cc1nn(C)c(N2CCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)c1C#N 788091368 BJDPBUSJQDMYBK-UHFFFAOYSA-N 435.286 0.867 50 20 ICGD CS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1Cl 788339475 ZWRJGCJCIIMXIV-UHFFFAOYSA-N 449.876 0.720 50 20 ICGD COCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1C 788663336 BTNMZCAUZSZVFQ-UHFFFAOYSA-N 445.361 0.092 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1Br 792268428 IGRBSJZWHWOBAC-SSDOTTSWSA-N 438.687 0.623 50 20 ICGD Cc1ccc(-n2ncc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(C)C)cc1 792269886 YDLFODGURVWTRC-CQSZACIVSA-N 447.517 0.825 50 20 ICGD Cc1cc(S(N)(=O)=O)sc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794065769 OOLCDZDGUVGSGW-UHFFFAOYSA-N 426.476 0.391 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797094078 XVFVKMFETQAOCV-UHFFFAOYSA-N 440.391 0.759 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1 806748605 QCCACJLRRXZCGQ-CYBMUJFWSA-N 429.433 0.856 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cc(Br)ccc1O 810449172 GRUXBBHVJZOZEA-UHFFFAOYSA-N 447.267 0.499 50 20 ICGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 816806186 VAUSHTRPLGMNED-MRXNPFEDSA-N 449.533 0.845 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 879617717 NIBXFIICCWLCDS-LLVKDONJSA-N 427.417 0.661 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H](C)O1 912924832 SQPCSPLWJYFFQX-STQMWFEESA-N 446.957 0.851 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 913638539 XCYGBRJJKKRBLZ-UHFFFAOYSA-N 437.508 0.589 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 915880285 DWRMQEFQQZXCOT-CYBMUJFWSA-N 435.506 0.718 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Cn1cccn1 919779195 OLUBECUSKKSDGK-OAHLLOKOSA-N 434.522 0.948 50 20 ICGD CC(=NNC(=O)C[n+]1ccccc1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 1317717070 RIDFUHDQHHQKAI-UHFFFAOYSA-O 433.510 1.000 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1cncn1-c1ccccc1 1317889610 RXAOPUUPLBDERJ-UHFFFAOYSA-N 449.519 0.819 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779544127 YKDOBJJUGWMAMJ-WIYYLYMNSA-N 448.401 0.345 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1781997062 APPQMTJIVKQXSH-RVZJWNSFSA-N 443.342 0.892 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936979 BUTMHQVSDCEVRL-JTSKRJEESA-N 431.537 0.463 50 20 ICGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785172864 UJHCZJOXYFMRJS-IHRRRGAJSA-N 429.304 0.595 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccoc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982364 ZUAATZFXPPDBBO-IHPCNDPISA-N 426.278 0.186 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2[nH]ccc2n1 1788317455 CUPDZZJATKJZSX-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1790961249 JOWUENOZOBJFQW-XUXIUFHCSA-N 433.347 0.411 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287321 LWXCLSDETQDEBM-PCBYGDGMSA-N 449.342 0.755 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293303 SMRWKHFEUVVGRU-CAMMJAKZSA-N 434.537 0.811 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791310952 LEFHOSPMKOTEEE-DCAQKATOSA-N 444.248 0.430 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C)NC(=O)NCc1ccccc1 1795158653 BVNYFUONNISRFM-OPVJXMOQSA-N 445.564 0.968 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)cc1 1796362495 CKGYHUUDBVPXAV-RMHZUWNSSA-N 432.901 0.757 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796886504 GVTSZODATNDQFT-MUJYYYPQSA-N 431.631 0.902 50 20 ICGD COCc1oncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1797168796 FQQYKZLYLDMTTQ-CLLJXQQHSA-N 428.449 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2[nH]1 1797460993 KPPVCKLDBTWLGM-CCWDJLKJSA-N 428.493 0.139 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1799221404 MIIGKEWXELAFCU-BTTYYORXSA-N 429.385 0.860 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(F)c1 1799457146 JKCZKKXMTBTHFR-HBCWATKFSA-N 441.463 0.650 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800389771 DRDQTYQRYMHVQQ-HPCHECBXSA-N 437.356 0.184 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1802338434 LFWIUCMBFZXTME-DMUMMCEESA-N 440.548 0.764 50 20 ICGD O=C(NCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1ccc[nH]1 1803142447 WTTXOEWGZKVKHB-SUMDDJOVSA-N 447.923 0.835 50 20 ICGD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807092236 BFUJHNSYMCFQQN-NQIIRXRSSA-N 438.337 0.469 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1808256105 YWMSUWAKHYIMOI-IERDGZPVSA-N 427.509 0.426 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968325 WDSPOMXRUZGYHA-INIZCTEOSA-N 429.326 0.126 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@H]1c1cccnc1 1813030605 DTPLBWYRXAJIEJ-FJIDUMEYSA-N 440.928 0.492 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813437306 WCZMWQMTOBQIOB-UWJYYQICSA-N 442.524 0.142 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814221811 JWGKPOLVKMUELA-KYOSRNDESA-N 426.315 0.787 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1csnn1)CC2)c1cccc(B(O)O)c1 1815350225 KXSVOZUGSCILFQ-LLVKDONJSA-N 429.292 0.214 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1817354809 KTMDMCCCDWKNJK-ZYHUDNBSSA-N 429.319 0.780 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)o1 1817475052 KFDLOTMJQLHNDX-INIZCTEOSA-N 438.253 0.330 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(CO)on2)n[nH]1 1820348324 APWOUXTYIDNIQF-OAHLLOKOSA-N 433.469 0.569 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052933 PDOSFXIJEMCPBJ-OALUTQOASA-N 444.341 0.047 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1832772138 HZUITPRFTDZCCF-GOSISDBHSA-N 432.304 0.893 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823644 ARNLVFANPLLDHY-SFHVURJKSA-N 442.310 0.240 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837649284 FFVNSMXYEYZSFK-KSSFIOAISA-N 448.303 0.170 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)n1ccnn1 1839155557 XCOXKIRCIZWDNW-XOKHGSTOSA-N 434.324 0.532 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198587 JNNQAOSBSQUCDM-YOEHRIQHSA-N 447.305 0.797 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1O 1839425696 ZSBRHVSRSOCOON-YWZLYKJASA-N 442.896 0.461 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719266 NMGXSTWWSAKWBO-SUMWQHHRSA-N 429.315 0.440 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1839898525 FCSFYFSMVMWTOP-BLLLJJGKSA-N 433.299 0.179 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840033904 UMQNXNMMJGMABS-BONVTDFDSA-N 446.258 0.171 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036971 UPQRDMMBTIZCTM-XEZPLFJOSA-N 439.372 0.340 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1840153064 BNJMZLIFFDYXFU-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840153349 LNLMOSCDDWTNAV-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1840153834 BRBXPRRXZJUPEO-DNVCBOLYSA-N 427.885 0.419 50 20 ICGD O=C(CCc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840458212 RRYISVVYOCWGIW-RDJZCZTQSA-N 445.289 0.556 50 20 ICGD Cn1c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1C(F)(F)F 1843580689 RXFFJIRNLFBDPS-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15727047 AFBOOAIJBHCUEL-UHFFFAOYSA-N 428.474 0.244 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 110815663 OZODXBDTIUFYOU-UHFFFAOYSA-N 433.552 0.368 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[nH]c(C(C)=O)c1C 726241443 HUPVWPWHIGUFFA-UHFFFAOYSA-N 425.405 0.292 50 20 ICGD O=C(NCCCNC(=O)c1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 726711511 OTHGUQNLYAVLHA-UHFFFAOYSA-N 440.298 0.522 50 20 ICGD Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728854390 UYRRKJKISDFMDD-UHFFFAOYSA-N 435.462 0.415 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730076826 ABAWTYGVTYAXBK-LLVKDONJSA-N 444.560 0.999 50 20 ICGD C[C@@H]1NC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 734239273 KXNBZDJJHMLUKL-LBPRGKRZSA-N 433.469 0.180 50 20 ICGD COc1cccc(COCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117612 ZGMWZSWPGXSGAQ-UHFFFAOYSA-N 449.533 0.686 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 735118857 YYRCOMPVTLNIOS-OAHLLOKOSA-N 438.554 0.109 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cn1 735444764 VHUZBFXESQHDST-UHFFFAOYSA-N 427.433 0.560 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 741359147 FTXZUZZFXHXXKW-OAHLLOKOSA-N 449.464 0.977 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 743282581 OGZRBQJQDXHMKW-ZDUSSCGKSA-N 437.522 0.493 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3(C(N)=O)CCC3)c2)cc1 747890430 MYNNYYBQEJLRNI-UHFFFAOYSA-N 446.485 0.913 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 755409002 DPGJYKOZHILDJE-UHFFFAOYSA-N 443.507 0.206 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 756825091 RKRMFMRJWYXVOK-QFIPXVFZSA-N 438.488 0.247 50 20 ICGD O=C(NNC(=O)c1cncc(I)c1)c1ccc(-n2cnnn2)cc1 756867171 IPUDNCDFPPNQEN-UHFFFAOYSA-N 435.185 0.737 50 20 ICGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1 758018681 YPEYZWGFZJUYKX-UHFFFAOYSA-N 425.405 0.429 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NN=C1CCC2(CC1)NC(=O)NC2=O 758120224 YANKVPPXYUXMAK-UHFFFAOYSA-N 426.477 0.069 50 20 ICGD CC(C)OCCCn1c(NNC(=O)Cn2cc([C@H](C)O)nn2)nc2ccccc2c1=O 763047101 HGCSUBFKBJMQKN-AWEZNQCLSA-N 429.481 1.000 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(Cl)c1-n1cncn1 763579591 ZWJULHHBKWGKOO-HNNXBMFYSA-N 442.819 0.847 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763680976 XUVOFCVXLVJNCB-UHFFFAOYSA-N 441.412 0.923 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)c2ccccc2c1=O 763787324 XGARNQNVXYZYAK-UHFFFAOYSA-N 449.402 0.658 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1S(N)(=O)=O 763848529 ITAORKZESAEJTP-AWEZNQCLSA-N 448.501 0.813 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Br)cn3C)cc2C1=O 764005239 WNFKGZJBAQNVSD-UHFFFAOYSA-N 448.277 0.815 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)n[nH]1 764098063 JOMXXEPQOYQEMI-UHFFFAOYSA-N 434.478 0.175 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 764225648 BSJRHMZRPBRQFV-CYBMUJFWSA-N 434.474 0.289 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 764275499 MODVQSJNCVXDOM-UHFFFAOYSA-N 426.429 0.680 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 764295238 KZLSUWLHSRWIPS-LBPRGKRZSA-N 448.505 0.538 50 20 ICGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764354845 YHZPDPQCTDPKAR-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCOCCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635862 HGCYUZUKBZKSCL-UHFFFAOYSA-N 426.539 0.265 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 766650943 XUGBQACZRZFROK-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1OC 769596682 HYHSTOFXLJSWEP-UHFFFAOYSA-N 425.438 0.511 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(Br)c(F)c2)n(C)c1=O 771680447 BXVLKDMVKYRHQC-UHFFFAOYSA-N 439.245 0.869 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccnc12 772889588 RGFNULCIXFEISJ-UHFFFAOYSA-N 444.835 0.637 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccc(C#N)c3)cn2)C[C@H](C)O1 773686450 ZGBFUAHDNUVWJX-KBPBESRZSA-N 425.449 0.472 50 20 ICGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C2CC2)c1 776488544 ORXSMBPSGMRVGX-VQIMIIECSA-N 437.456 0.928 50 20 ICGD O=C(NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 776752646 IUXOSNVQUVVYEX-KBXCAEBGSA-N 427.454 0.319 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc([N+](=O)[O-])cc1Br 779148399 RYEYSHHFTCSIDW-OXHZDVMGSA-N 439.222 0.963 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779491286 MNXNOSJYNWULFA-CXAGYDPISA-N 443.504 0.623 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 782896267 DLMRNKYSTKXUAC-UHFFFAOYSA-N 447.473 0.459 50 20 ICGD COc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 782897447 OZNVCCXTCRPHEZ-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2cccn2)nc1 784216118 NQWBLBYPBRONMV-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 788177931 MWBIEGZRRRBKOX-HNNXBMFYSA-N 443.489 0.877 50 20 ICGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 788747246 HKJJCJPHXQQEBH-UHFFFAOYSA-N 425.488 0.973 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc1C 793784840 ZWMQOARGEQCXDN-SFHVURJKSA-N 434.453 0.020 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1 799259020 RAADUOUGFKLTFN-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD CN(C)c1ncn(-c2cccc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)n1 799421422 JWOOQOZZIOFIBX-UHFFFAOYSA-N 433.436 0.776 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066396 NCUZNNJLAKNKPU-UHFFFAOYSA-N 430.483 0.784 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)N=c3ccnc4n(C)[nH]cc3-4)n[nH]2)cc1C 806979531 ZBAXGUQAOKSMQM-UHFFFAOYSA-N 432.444 0.748 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 807004502 OHFMIIKPOBPYSZ-UHFFFAOYSA-N 427.442 0.843 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cccc1S(=O)(=O)NC1CC1 814646433 IJHRMHXUGYNMCE-GFCCVEGCSA-N 433.494 0.443 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccnn1-c1cccc(Cl)c1 815691030 CSJJPXIQNAVVPD-NSHDSACASA-N 428.840 0.466 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3nnc(C)c(O)n3)nnc12 817284025 IFQCVFBBHIHJCG-UHFFFAOYSA-N 439.461 0.665 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c2ccccc2c1=O 822438738 QYQUUXABWSJVHC-UHFFFAOYSA-N 434.412 0.060 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 913429717 VELGTAXETDORGV-UHFFFAOYSA-N 434.474 0.436 50 20 ICGD Cc1nnc(NNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)nc1O 916160077 FJFXTVNVXDKPOX-UHFFFAOYSA-N 431.272 0.412 50 20 ICGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916293808 IKCLGRGJQJWZFS-GFCCVEGCSA-N 438.535 0.541 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)COc1ccc(C#N)cc1)C(F)(F)F 916379032 YIZNZMLZDIWEKV-QGZVFWFLSA-N 440.382 0.841 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)n1 918107805 UYVOYWKQBWYRQV-UHFFFAOYSA-N 428.493 0.730 50 20 ICGD Cn1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2cccnc21 1778765889 GSAROVMEOFWMFY-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD COc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1779722611 PVKNKOIZQAFZQA-VGOFRKELSA-N 447.536 0.591 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979563 IRYMMWLKJBGVMR-QRWLVFNGSA-N 436.896 0.976 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780953327 YWURXAFSLLGEOV-RDJZCZTQSA-N 440.273 0.792 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781225136 UHVTUJJSNDIADQ-HOTGVXAUSA-N 434.280 0.858 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1783422443 XGOYJMHMQLCUDY-QHCPKHFHSA-N 444.532 0.367 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1783934497 HNPXIJMLXVTJFE-OAQYLSRUSA-N 432.525 0.036 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937059 FEKJCJITGZSPLH-IIBYNOLFSA-N 449.577 0.765 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937747 XGJVFWOPBOJSLF-LAUBAEHRSA-N 425.574 0.167 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1783974646 ULLUVUZXSPOLLW-LLLAAFKUSA-N 449.342 0.613 50 20 ICGD C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784031317 AGWLKEVHLSXYDY-JBACZVJFSA-N 426.322 0.728 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091402 SKZIHJBESROQMC-UGQVUOCMSA-N 449.895 0.633 50 20 ICGD CC(C)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1784860163 DWHJPYQARWHUCR-OAQYLSRUSA-N 429.521 0.955 50 20 ICGD CN(C)c1cccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1785058681 ITISYQVPPZLGNB-QZHFEQFPSA-N 439.940 0.711 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)CCl)C[C@@H]32)CC1 1786725063 DSLKSNGARXPJSK-BZSNNMDCSA-N 429.005 0.869 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1788762335 SXGOTLWMRODFTL-ULQDDVLXSA-N 429.659 0.866 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1791254946 XGUDTPIZQBGVFC-PMMQCXHCSA-N 446.957 0.022 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791257293 XCHDKKIQMPJIEF-YGJAXBLXSA-N 449.932 0.063 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c[nH]nc4c3)C[C@@H]21 1791289104 KPVMYNBVXIWRMG-LNLFQRSKSA-N 442.520 0.529 50 20 ICGD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791609670 VTEGBBQNMUAJCI-BNSPSXLRSA-N 443.548 0.838 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3Cc4ccccc4C3)[C@H]2C1 1792318904 WTTRNMNWBBZWGE-JBACZVJFSA-N 442.560 0.754 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2)[C@H](O)CCl 1792980086 DAXPTBBFHRVUER-CYGHRXIMSA-N 426.897 0.251 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1C 1793831273 UNTOSEQFFYFHKY-YHDCXSKOSA-N 435.952 0.887 50 20 ICGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)s1 1794040616 AYGNETGWUBSJQU-VPTLXERWSA-N 436.578 0.952 50 20 ICGD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441281 UAUOERYTSBADQF-FJABVQHVSA-N 441.492 0.240 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797656018 JHHDOLHEBDWRPR-CKEKPRIKSA-N 431.205 0.465 50 20 ICGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)n1 1799275004 GKULQMIJPPYWGW-ZFHGCVPZSA-N 433.336 0.969 50 20 ICGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)c2c1CCC2 1799347862 VTIUWFLLPPGRDZ-FJHTZYQYSA-N 429.290 0.803 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801284014 OFJPHUDENYYHCB-CENPHQPOSA-N 439.944 0.454 50 20 ICGD O=C(Cc1cscn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967071 QISCKHBUUZNWNG-UHFFFAOYSA-N 427.335 0.910 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195081 BXFDUYFHRUTHCA-PZJWPPBQSA-N 446.272 0.028 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)C(Cl)Cl 1813081304 LXRUSWDFYLMNOU-GDBMZVCRSA-N 433.336 0.178 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814887667 MAVLLBCHLBXCMZ-CQSZACIVSA-N 430.339 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cnccn2)n[nH]1 1814997160 AIEIBVCWTPSOTB-MRXNPFEDSA-N 428.497 0.808 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817470498 SPPKEGLVRFWMRV-IBGZPJMESA-N 439.325 0.737 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]n1)c1cccc(B(O)O)c1 1817479857 VENKRZUGMAKRMC-RWQQGDIJSA-N 438.293 0.963 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820872792 OIUDJCXOSIFJEI-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822368974 MPIHWXUCPGUOBW-ZYHUDNBSSA-N 437.821 0.380 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)N1C[C@@H]2C[C@H]2C1 1826087635 HADAYIKINDWIQX-CBBWQLFWSA-N 448.593 0.768 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826136419 KZXRUHVEUSGRCA-YPMHNXCESA-N 443.595 0.542 50 20 ICGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829052605 PJPABEMSTIIADE-APWZRJJASA-N 426.876 0.932 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829618398 PXGNKBOGSGRRMZ-LPHOPBHVSA-N 441.868 0.193 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829828392 HCXWHFFABDZMSA-HEHGZKQESA-N 435.246 0.460 50 20 ICGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(Cl)cc1 1830719963 POYLHOFRDIQRGD-KXBFYZLASA-N 445.299 0.579 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832813969 MDERCIMTZSEUDU-GUYCJALGSA-N 429.315 0.582 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834818790 FETRPJYLDODWBR-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836908944 MZNNFVSELNVMMU-XOBRGWDASA-N 436.896 0.887 50 20 ICGD O=C(c1cc(O)ccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201722 HNGOSCFJEZSWSA-PBHICJAKSA-N 447.257 0.858 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839413865 YIWKUAWELZXPCP-RHSMWYFYSA-N 431.804 0.905 50 20 ICGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839413866 YIWKUAWELZXPCP-WMLDXEAASA-N 431.804 0.905 50 20 ICGD O=C(c1ccnc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839541072 MLEHKVRFCRYKDU-JXFKEZNVSA-N 434.880 0.300 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839966742 OKJICODHBZEGLA-RHSMWYFYSA-N 429.315 0.582 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1839966943 UVQFMKAIOANMEV-KEYYUXOJSA-N 444.330 0.469 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031136 GJPKJIBCWYVXON-PIGZYNQJSA-N 447.305 0.721 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187155 YVINUWARVASDNP-GOSISDBHSA-N 442.303 0.691 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840743793 PBXIOGLGHAMWBS-KUHUBIRLSA-N 448.850 0.958 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1840788479 LZPFQQMWPNSOSA-UZLBHIALSA-N 441.887 0.993 50 20 ICGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414214 OENQSPTWGYCOAA-GFCCVEGCSA-N 426.308 0.306 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2ccco2)CC1)c1csc(N2CCOCC2)n1 9790012 WRDKLEODDBICNP-UHFFFAOYSA-N 434.478 0.385 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2cccs2)c1 14057422 YJTCOAZHAIEIRS-ZDUSSCGKSA-N 439.519 0.559 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)NC(=O)NC1=O 726282852 TZSCAGPLIQDYNS-OAQYLSRUSA-N 439.428 0.657 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cccc(O)c3)nc2)CC1 727239506 LSAWKAIFNHYGFL-UHFFFAOYSA-N 434.522 0.592 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cnccn2)c1 728260920 WIVTVGNRPSELOT-UHFFFAOYSA-N 447.926 0.784 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 731811876 ZHOOPQBJLMBLJC-UHFFFAOYSA-N 442.457 0.500 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 731957452 KYAQBLNWCYHSLK-KRWDZBQOSA-N 434.493 0.178 50 20 ICGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 732259443 DPJVCTZIHFXGGZ-GJZGRUSLSA-N 426.539 0.554 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 735517271 BBQBEGHILQZLJU-QFBILLFUSA-N 440.504 0.763 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC1=N[C@H]3C=C[C@H]1C3)c(=O)n2Cc1ccccc1 739399277 BZEYCADWUDZTPX-HOTGVXAUSA-N 433.472 0.406 50 20 ICGD C[C@@H](CC(=O)NNC(=O)COc1ccccc1O)/N=C1/NS(=O)(=O)c2ccccc21 742652717 HEJUIROZWCMVDT-LBPRGKRZSA-N 432.458 0.436 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 746549742 XJTZZTDLHLDMDX-UHFFFAOYSA-N 441.513 0.568 50 20 ICGD C#CCN1C(=O)C(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2cc(Br)ccc21 747049873 XUGBDPRIWNNLBE-LLVKDONJSA-N 439.291 0.619 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 747101040 DDVZBVLIPXXEBZ-LLVKDONJSA-N 436.460 0.869 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)C1=O 747787154 HRIQARXMRVJMAE-IBGZPJMESA-N 435.484 0.655 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 748620842 TZKMPXZPVKMWCN-GOSISDBHSA-N 445.549 0.525 50 20 ICGD O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 755182676 OIOBRJUIHNICKO-UHFFFAOYSA-N 426.340 0.664 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 756893528 RHRWKGDHWLOVSL-OAQYLSRUSA-N 444.875 0.511 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)c1 757701157 WZEPVOXBBCQNFW-UHFFFAOYSA-N 434.478 0.678 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(C(N)=O)n2)c1 757738899 WPWMRZWLJNTRPH-UHFFFAOYSA-N 434.478 0.678 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 759897113 MUUMDIMXWAUORI-RWMBFGLXSA-N 436.490 0.248 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)c1C 763535665 JIJSCLLMFQYREK-UHFFFAOYSA-N 429.458 0.832 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 763823396 AQBALYNKFSJFFX-INIZCTEOSA-N 429.502 0.511 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1N1CCOC1=O 764004687 QSAFDMBRDGRPPB-UHFFFAOYSA-N 426.385 0.814 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764151205 HWDVHLUXVLOHPL-INIZCTEOSA-N 431.470 0.958 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764161101 OBQOWYMIPCPJLP-UHFFFAOYSA-N 442.476 0.497 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 764425276 OHPCHEPOGXEURD-QGZVFWFLSA-N 444.419 0.257 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 764427827 CALSPWCMYHBFTP-MRXNPFEDSA-N 442.476 0.563 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764526651 YINIYGDVJQXMFT-CYBMUJFWSA-N 432.458 0.460 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 765389479 MOGPLBYZRWJGMI-UHFFFAOYSA-N 445.476 0.995 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ncncc3Cl)cc2)CC1 782159852 WVGTXWHUNJZYLW-UHFFFAOYSA-N 447.883 0.507 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Br 784002271 BXQKZPNQNMHESM-UHFFFAOYSA-N 443.254 0.175 50 20 ICGD CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002696 JQUIPAOOICYEAG-UHFFFAOYSA-N 441.282 0.945 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004221 CHSSYXNZGBJPLY-UHFFFAOYSA-N 431.474 0.404 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 785061566 XUBXDSRQCPNJJC-UHFFFAOYSA-N 434.456 0.899 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCc1ncccc1S(C)(=O)=O 787888412 ZFDNCNGWHDDXCR-UHFFFAOYSA-N 429.499 0.620 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnnn2-c2cccc(F)c2)c1 789869537 PKMPXBNTMFOEMS-UHFFFAOYSA-N 432.437 0.732 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3cccc(F)c3[N+](=O)[O-])CC2=O)c1 791147672 GNYPMMHGMSHEQA-SNVBAGLBSA-N 437.409 0.878 50 20 ICGD NS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 800719479 UXRNACWFRLKGQP-UHFFFAOYSA-N 444.473 0.511 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 806631175 ZAPRRRGTCGEUHF-UHFFFAOYSA-N 441.492 0.922 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977881 COPGPXNDKMASBA-HOTGVXAUSA-N 428.489 0.750 50 20 ICGD CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 808775925 NUTXUHOBNMWEDB-HNNXBMFYSA-N 435.550 0.701 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 811872747 RZWOHPRPGIFOQO-SNVBAGLBSA-N 435.428 0.609 50 20 ICGD Cc1nn(C)c(N)c1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814710840 TYTXYBCSMXTHLN-UHFFFAOYSA-N 434.522 0.415 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1Br 815692789 BRUGSQFXGLBKIY-SECBINFHSA-N 437.254 0.398 50 20 ICGD C=CCNC(=S)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 913435815 WJETXMYTKIHOKW-UHFFFAOYSA-N 428.536 0.588 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 915485647 URMOCUSKHUHZHK-AWEZNQCLSA-N 449.485 0.272 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915685865 OWWOJMCKKQHUIG-UHFFFAOYSA-N 431.536 0.303 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(S(N)(=O)=O)c1 916197105 NTEMMTPETJRVMR-LBPRGKRZSA-N 444.473 0.931 50 20 ICGD CCOC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920433513 WIRYFLIVLMOEEP-UHFFFAOYSA-N 434.474 0.672 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2)[C@@H](F)Cl 1778029895 IPSMNXUBCNKHMD-VVFCZOMOSA-N 437.859 0.751 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778915860 GYQJLGFRKSHQMZ-HXOBKFHXSA-N 437.305 0.311 50 20 ICGD Cc1ncsc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030951 KYHBATPYKNLECQ-LJQANCHMSA-N 430.490 0.207 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1779035999 SPGDLPKGNSUWQV-VLIAUNLRSA-N 433.534 0.272 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254932 IZQWBPLSRUFLKD-JHXRPTDYSA-N 440.460 0.365 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781031886 HAYADTGZIOHRON-LPMFXHHGSA-N 433.933 0.671 50 20 ICGD C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1783765534 POYCLVRRPNIGEA-SIFCLUCFSA-N 445.944 0.885 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1783878402 DTHAIXHNLOCXPF-DICRZQGBSA-N 428.913 0.826 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2)C1 1783883898 MULJKWLMDWDRBQ-AUUYWEPGSA-N 433.933 0.985 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1783884324 RHLAMTBIPDRUIF-UZLBHIALSA-N 445.944 0.939 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935966 YZPJEHGINNDENS-JOCHJYFZSA-N 448.568 0.843 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncoc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786982902 HDJTWRJVDAQMAE-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792872921 GMALRGVLCBDBPU-YMILTQATSA-N 432.359 0.912 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982623 KNSWMMWHGATRRH-YIDVYQOGSA-N 445.944 0.575 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1793452572 BDGWOCNFGCBRDJ-CENPHQPOSA-N 439.944 0.454 50 20 ICGD O=C(CNC(=O)c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795847076 AHGPEYXJTQAXIN-DJBIQUGXSA-N 432.246 0.290 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(F)cc1 1799058366 HUNRYHFWUKHQRG-QJESEZNXSA-N 441.887 0.192 50 20 ICGD O=C(/C=C/C1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799314479 NFPHZKZXGKANHI-BNTBUHNESA-N 426.322 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@H]1c1ccccc1 1800924786 ZQLCANQFHPZCPL-ITEKTMBMSA-N 434.301 0.373 50 20 ICGD COc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801721665 FLXKGTILVVBCMC-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1802107029 TUKSSECNFRUEQI-AKZRSSKFSA-N 426.347 0.240 50 20 ICGD Cc1onc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1C 1803888844 FOGINVACPAGDOI-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD CC(=O)N(C)CCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1804072183 KNLNMYOSJMFPRN-GCJKJVERSA-N 446.552 0.329 50 20 ICGD O=C(O)CSCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973405 KGUMNCXHBNQBPX-UHFFFAOYSA-N 434.323 0.029 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1 1813074125 PHVDFMDPSKQPNH-XWESUKGBSA-N 439.520 0.897 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnn(C)c2)[C@@H]1c1cccnc1 1813460180 QBGVTSIQDWIYSC-GCJKJVERSA-N 441.536 0.437 50 20 ICGD O=C(CNCP(=O)(O)O)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2 1814770613 XJJMXOQRCOTESV-ZCFIWIBFSA-N 431.238 0.584 50 20 ICGD Cc1ncncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344023 CJBZRSWLHKLWGE-CQSZACIVSA-N 437.290 0.461 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821624057 XYSGCHCKQFNKJK-RDTXWAMCSA-N 427.314 0.736 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1ccnn1 1821720379 PBTAUVHATHRDEO-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)CC1 1824186623 PEXBWYMBQNLVMT-OALUTQOASA-N 442.988 0.370 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080670 BREUFSCSZAABTL-QWHCGFSZSA-N 438.554 0.343 50 20 ICGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Cl)CC1 1827606988 BPUNZDYJVAFPFR-OCCSQVGLSA-N 425.852 0.580 50 20 ICGD CCSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829575521 XYQGLIAVJMDVHG-HNAYVOBHSA-N 443.953 0.863 50 20 ICGD Cc1ccc2oc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2n1 1830723545 PMRVRBKBKSKWOE-MGPUTAFESA-N 437.880 0.806 50 20 ICGD Cc1ccn2ncc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2c1 1830727821 GVTRNBZVWRVHJX-YLJYHZDGSA-N 436.896 0.312 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1831657700 QCSUTEMFTWXRGO-RLFYNMQTSA-N 436.958 0.428 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835506005 BJXGXZFRTRNYED-VGOFRKELSA-N 441.381 0.988 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840139 QEMKBSGTPJCZFC-BZNIZROVSA-N 447.355 0.826 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1836674402 NRPNWOGYAGSFIG-LBPRGKRZSA-N 433.347 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836873620 COHXPNVZBVMEST-LIRRHRJNSA-N 437.884 0.053 50 20 ICGD O=C(c1cccc(F)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837908239 RJOPMSLRUQIKTH-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD O=C(CC1(O)CCC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920861 KARVEEOSGYYGEQ-UHFFFAOYSA-N 444.337 0.284 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838742894 QZJNZFRPTOYSKD-WIYYLYMNSA-N 448.907 0.542 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839073817 WNKSRCRODKUQDT-SCLBCKFNSA-N 437.896 0.890 50 20 ICGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839200805 QHJGFJJWANSHGP-WMLDXEAASA-N 448.289 0.922 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188745 ZXSJCDPZWOLZCY-KRWDZBQOSA-N 431.276 0.280 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840444219 GQYYMLNUQQFALQ-ZQIUZPCESA-N 429.315 0.684 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1841925347 MYTDCSURRGTHSS-STQMWFEESA-N 428.917 0.458 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1843416857 IHXQHQZRYHFVFS-BHGWPJFGSA-N 442.398 0.002 50 20 ICGD CCc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1Cl 1844264011 UJKFCRSIVAZSJY-UHFFFAOYSA-N 431.884 0.755 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844523552 TWWGBJVASCGVON-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1844692439 XROUIPJCMQMJPR-UHFFFAOYSA-N 439.446 0.382 50 20 ICGD COC(=O)c1ccccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847648693 HZVNTJJAGVNVPJ-OALUTQOASA-N 444.532 0.981 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848065400 IEOWMPVKUQDUNY-PCCBWWKXSA-N 448.527 0.557 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCc3ccccc3C2)c1 726618091 FEYIHOLALMWVQB-UHFFFAOYSA-N 430.486 0.619 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 726972124 YHKSKFXINYQBIY-UHFFFAOYSA-N 437.472 0.878 50 20 ICGD O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)C(=O)N1CCCC1 727031531 UPCFTUAYFXTANO-UHFFFAOYSA-N 439.476 0.856 50 20 ICGD CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728383625 BMTDXOONHHOOLX-GLIABKTBSA-N 442.538 0.095 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732341329 ICNAHWLMCMMRKR-CQSZACIVSA-N 438.462 0.991 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCCC[C@@H]1C 737054378 NHYPNBJYHFZSSG-KBPBESRZSA-N 439.538 0.670 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1OC(C)C 742479990 FBEWCBMJFQQQKI-DTTOXWODSA-N 431.445 0.406 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C(=O)N1c1cnn(C)c1 745916304 BTZLMSWEKJSSJY-SWLSCSKDSA-N 438.448 0.449 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747901394 VJWDZNCTDZGMHX-HNAYVOBHSA-N 430.530 0.699 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNc1ccc(F)cc1Br 748107249 GALGAEAWYSQANJ-UHFFFAOYSA-N 425.280 0.876 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1F 755411851 WOLUCIBMTJLRIF-UHFFFAOYSA-N 442.494 0.906 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)sc1Br 758042892 BVAGWGROBCZKKA-BYPYZUCNSA-N 449.146 0.972 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccccn2)c2ccccc2O1 763462725 AXRYBHKMFFXNND-SFHVURJKSA-N 439.472 0.942 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763673279 BXPACOMTIHHDPJ-UHFFFAOYSA-N 439.428 0.190 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 764205047 XOMXZKYHCIPWCU-UHFFFAOYSA-N 441.872 0.830 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 764427627 ARVDPVPELNCLLE-INIZCTEOSA-N 434.836 0.815 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 764431646 DVMQAUOYVMOXEE-QGZVFWFLSA-N 447.469 0.162 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 765665609 KPVQDXYVBKNKPD-ZJNRKIDTSA-N 432.543 0.978 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(-n4ccnc4)nn3)CC2)cc1 766649031 MFMJBFYVDYGTQB-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1 769621790 RAUSHDWCCWIWGN-UHFFFAOYSA-N 445.457 0.782 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c1 770965853 NRSSKCWEWWCQSC-UHFFFAOYSA-N 443.489 0.955 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 772095952 HFRIONASRHJGSM-HOCLYGCPSA-N 425.507 0.718 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 773419088 LXIVWGSSQGRDBA-QWHCGFSZSA-N 434.559 0.745 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1)C(=O)OC(C)(C)C 782967175 SFRZRGUROBBNTK-UHFFFAOYSA-N 433.465 0.418 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCS(=O)(=O)C1 783426656 IWEADSDFESDRSY-OAQYLSRUSA-N 444.513 0.753 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1)NC(=O)CC2 784003173 BDSDRUUJFGABAM-UHFFFAOYSA-N 445.457 0.157 50 20 ICGD COc1ccc(CCS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 788666214 ZUIMHBRROFHANY-UHFFFAOYSA-N 441.369 0.867 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1C 796991051 ZHQPYJPMJZQNHS-CQSZACIVSA-N 431.449 0.535 50 20 ICGD COCCOc1cc([N+](=O)[O-])c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 798114523 QNNGXZQTSPDCGH-GFCCVEGCSA-N 431.467 0.735 50 20 ICGD N#CCNC(=O)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 804819657 DLKOFMFBQAZDDG-NTEUORMPSA-N 439.863 0.742 50 20 ICGD CN(CCn1cc(Br)cn1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 808188046 OFNUEQWGBROSCF-UHFFFAOYSA-N 434.258 0.608 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 809507187 TYSHOBSUNZSXPF-BBRMVZONSA-N 449.460 0.917 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3conc3C3CC3)CC2)cc1 810591686 FQKFFIAKFPISOM-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD CC(=O)N1CCc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc21 813033604 BCMBJBJWMTUOGM-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)C(C)(F)F)CC2)cc1 815826951 GSPGGVIRYDMJAP-CQSZACIVSA-N 432.493 0.740 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=S)NCCc2cccs2)c1 838823909 IOZRTBGJOIQYBH-UHFFFAOYSA-N 440.572 0.967 50 20 ICGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 906477742 DYHIYVDGMQGULW-KRWDZBQOSA-N 444.513 0.795 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cnccn1)N(S(C)(=O)=O)CC2 913161321 IVHVLJDVCKFQEN-OAHLLOKOSA-N 449.489 0.204 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1OC 915595968 RGOVBDDYFIXFOV-UHFFFAOYSA-N 441.437 0.503 50 20 ICGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1ccccc1NS(=O)(=O)c1cccs1 916729766 HZYLGLZJPJTNEJ-UHFFFAOYSA-N 427.489 0.895 50 20 ICGD O=C(Cc1cccc(F)c1)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917294711 SLYVFKJKRJLNRP-KRWDZBQOSA-N 445.403 0.015 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cnn(-c2ccc(F)cc2)c1C 920987855 UGUZSRGRFOJVOP-UHFFFAOYSA-N 445.480 0.745 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1318005782 SGHABQFNAUXDON-UHFFFAOYSA-N 433.494 0.335 50 20 ICGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1323899786 IVLWOHAYXAHMNQ-UHFFFAOYSA-N 448.505 0.249 50 20 ICGD NC(=O)C1CCN(C(=O)C2CCN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC2)CC1 1324156813 XPHVHYLBPOVGIB-UHFFFAOYSA-N 449.939 0.537 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1779034937 XZJKYAGOTKFCID-VFNWGFHPSA-N 426.477 0.191 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299551 DNZJZDSTBBHDBH-QFIPXVFZSA-N 445.495 0.443 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782208155 FZPXLYAJYYQZRM-COCCGSRQSA-N 449.342 0.900 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1782639438 CPBSJISKFHSXGV-MLGOLLRUSA-N 435.388 0.331 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3c(Br)cnn3C)CCO2)C1 1783874045 BWWDWBAADRCSHX-LRDDRELGSA-N 449.733 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1783935307 SVFOYRDSGJKYTP-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785080515 ZITLEHZUONAVQI-OSPHWJPCSA-N 447.300 0.751 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(F)F)[C@H]2C1 1786750962 FTNXNCNGYUDVLV-HMEDOYGISA-N 425.436 0.755 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984439 MDVTXZKFUAXXLK-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1789858009 PXFLPCVNMDSZSI-RBZJEDDUSA-N 447.960 0.869 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)cc1F 1790080866 VNYARFRXOBTOIU-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccc1F 1790087019 ILVOZNYMQJFUAX-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1791254923 WWXRJQHIXOVCJK-WSMBLCCSSA-N 439.896 0.700 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccc4[nH]3)C[C@@H]21 1791293744 GTVWNGFDDQGNAE-DOXZYTNZSA-N 442.520 0.529 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccc4o3)C[C@@H]21 1791293969 UIDNAAYWVWPYIS-MPGHIAIKSA-N 443.504 0.794 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1 1795216589 FIWLKEKGMRQDGJ-CUCQEMJRSA-N 437.500 0.953 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2c(c1)OCCO2 1796188933 CBWVJNSYRVNOOP-REPLKXPHSA-N 436.273 0.703 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)C1 1796364050 CPYAXEVXVDFZSX-AIEDFZFUSA-N 449.907 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)C1(O)CCC1)C2 1796439888 MYRGUQYGJDPVDR-CEZVNPBESA-N 445.520 0.261 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800198927 OHSJQLMYBXPBMQ-ZWUHOBOKSA-N 427.299 0.006 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1800978266 QMDZUMBKOZBBJQ-UMPJEAMMSA-N 448.907 0.391 50 20 ICGD CCc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)c1F 1807844366 GLTKWNDQBHSYDJ-UHFFFAOYSA-N 442.300 0.950 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@H]2F)[C@H]1c1cccnc1 1810306184 VEJVJCPBMCFWBF-SIUPPRGNSA-N 426.452 0.758 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1811593783 WAVQTOMKZMOKCR-FOIQADDNSA-N 444.492 0.255 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1813071487 UCZXXWPWCNRCEY-AVRDEDQJSA-N 441.536 0.816 50 20 ICGD CC(C)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815263155 IGMJHLNNXHPSQR-OAHLLOKOSA-N 430.339 0.437 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1)c1ccc(B(O)O)cc1 1817471017 PNEKUPMXRFYXOW-SFHVURJKSA-N 435.249 0.343 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1819593902 XXJSQGBOTMUTRL-CYBMUJFWSA-N 447.505 0.978 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824789018 QCJGFQSQSFNXLA-SFTDATJTSA-N 427.354 0.694 50 20 ICGD O=C([C@@H](F)Cl)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824975032 NQERWFXWHDSNOT-DOTOQJQBSA-N 437.965 0.871 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089669 LCHZLAGIWAUDIY-MNOVXSKESA-N 431.946 0.682 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)C1 1827052563 OJMSHWAZXQIMQP-UNMCSNQZSA-N 441.381 0.942 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060580 RBNFSFIQBUQKEB-UWJYYQICSA-N 429.370 0.940 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1828924677 XMXOBEKEUJKJFT-QAPCUYQASA-N 442.520 0.055 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1830332399 BYRNEFCCZSNMMA-JLSDUUJJSA-N 438.352 0.594 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830535066 HYMPYUPJYZKFAO-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831639618 DKDSPMKVTWFELW-KUHUBIRLSA-N 428.917 0.459 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1831699325 IAZNBYQIIHKHHN-DXAFIFDOSA-N 440.846 0.775 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cn1 1833435726 CDGRHKCZBNPLDS-KUHUBIRLSA-N 442.900 0.199 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609140 IAEGTPKCIUQBFU-PXAZEXFGSA-N 429.267 0.493 50 20 ICGD O=C(c1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837846014 AQORZBQVZOHMMZ-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CC3(O)CCC3)CC2)CC1 1838789692 TWRFNFHBLQBAMH-UHFFFAOYSA-N 438.569 0.663 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839143856 JPIQXUFYXVJZSU-JLTOFOAXSA-N 439.896 0.940 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198154 VYLUAUSXWVCEJR-CZUORRHYSA-N 433.278 0.664 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1839199960 ATDUFXBVJMWTEG-ZFHCCXERSA-N 448.333 0.474 50 20 ICGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1C 1839200290 ICVCMMXASZJSKO-PBHICJAKSA-N 447.305 0.972 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839686514 SNSOBWHJYDWOLQ-HBUWYVDXSA-N 436.889 0.258 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1ccnn1 1839708970 RUJRNZWICWWPKV-CRAIPNDOSA-N 425.562 0.147 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n[nH]1 1840032253 SPGAQZKLXKLKKJ-PXAZEXFGSA-N 429.315 0.826 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1840151154 WUVLQXDSWMZQNF-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1841344991 RFYAHRAFSSLEQF-ZIAGYGMSSA-N 429.477 0.091 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842241480 ZUMLHSQGYRTVGS-AWEZNQCLSA-N 429.926 0.697 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)CCBr)C2 1843325050 XDFOXOOTRYYJMD-LBPRGKRZSA-N 434.331 0.860 50 20 ICGD COCc1oncc1C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1843566339 RNYJVFHWUWUXCL-YDZHTSKRSA-N 428.449 0.772 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1845036596 AICSVNSTAPVBDI-UHFFFAOYSA-N 437.305 0.744 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846005412 PFQWOCKCOJISII-MRXNPFEDSA-N 444.536 0.061 50 20 ICGD O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 20629076 BBYLVHHONRKZTQ-UHFFFAOYSA-N 440.503 0.620 50 20 ICGD CN1CCN(C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc2)CC1 727844331 KOMFCYZCOVQRQS-QGZVFWFLSA-N 428.493 0.329 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845944 QUDODIGVOKORCG-INIZCTEOSA-N 438.554 0.435 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 730034218 CKHBVLVWCDFZQE-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 730778154 CVHDRFBKQNKWIV-UHFFFAOYSA-N 433.486 0.463 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 731622624 NSIJFMMJDXSAQO-BRWVUGGUSA-N 432.502 0.429 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 734824612 FYSSRTIIDXOAJV-AWEZNQCLSA-N 447.558 0.530 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 740942906 DCLSTUICAFIQPD-UHFFFAOYSA-N 436.490 0.824 50 20 ICGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C 741171560 KRGBOAJGDHQRIA-KRWDZBQOSA-N 440.522 0.019 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)CC1=O 748593734 KVLBPYFRFAAJPT-CQSZACIVSA-N 425.555 0.617 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1C 750075153 ABDRUCVWNARVPI-GZTJUZNOSA-N 435.506 0.882 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 751211280 POEJFPQOARDCLS-SOUVJXGZSA-N 446.529 0.991 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2)nc1 753278653 FIOVACCOBKNLIB-UHFFFAOYSA-N 427.425 0.156 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3C#N)C2=O)cc1 753722949 MOWOZQMTOTWRKX-GOSISDBHSA-N 432.440 0.940 50 20 ICGD CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NNC(=O)CNC(=O)c1cccs1 754101791 JNMKYSSROWPJFP-UHFFFAOYSA-N 429.458 0.447 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C(=O)OCC)c1 755842092 RDDAQNNYEQXYRU-SNVBAGLBSA-N 444.466 0.130 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)c2cnccn2)c1 757776801 QZZJHSXAXDPNPP-UHFFFAOYSA-N 449.493 0.030 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccc(-c2ccccc2)cc1 758043098 FIYWUPWCRWDOSW-CYBMUJFWSA-N 442.501 0.941 50 20 ICGD CC(=O)N1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)Oc2ccccc21 758534565 IIAIPNWWEIUZCQ-OAHLLOKOSA-N 446.323 0.627 50 20 ICGD Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758534879 LEKXDUXFVAUIBI-UHFFFAOYSA-N 440.341 0.082 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)[C@@H]2CCNC2=O)cc1 760103032 AWLVNNWYQBHXSK-VHUCWBOISA-N 436.472 0.688 50 20 ICGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1 763492136 URPQUQZMWZGHBJ-UHFFFAOYSA-N 433.490 0.806 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c1C 763665017 BUYLOWGHTOUOJT-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763738698 WPDCBUYXKRCAPD-UHFFFAOYSA-N 449.489 0.114 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763919134 RHDJPTGCWXBQEG-CQSZACIVSA-N 426.404 0.360 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764155213 WUPFRALXBLKIOU-KRWDZBQOSA-N 431.470 0.629 50 20 ICGD CC(=O)N[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C1CCCC1 766653773 SZSXCPYIAOZEHU-HXUWFJFHSA-N 429.521 0.287 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(OC(F)F)n(C)n2)cc1OC 767719314 OLELWZIWDUCIHY-UHFFFAOYSA-N 428.348 0.657 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1ccnc(Br)c1 771538271 XBZGDPHUFXWDMJ-UHFFFAOYSA-N 442.251 0.543 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 773183780 XJHZKCRKJZVTHQ-SFHVURJKSA-N 425.507 0.288 50 20 ICGD COc1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)n1 773726194 KYMVVPVQDHOHEK-MRXNPFEDSA-N 440.460 0.735 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 776610147 SZTRQWZJTDTYIY-UHFFFAOYSA-N 445.501 0.488 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 777777053 DBZUYEGQHHKSQC-UHFFFAOYSA-N 432.340 0.860 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 778437094 VDMNTNGCCAXPCM-UHFFFAOYSA-N 429.359 0.967 50 20 ICGD CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782965750 JQTKXIHSGFOMEQ-UHFFFAOYSA-N 447.492 0.065 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ncn1 783947675 DLYYAFLMMIXNLY-LFVJCYFKSA-N 431.478 0.680 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)S(=O)(=O)C2CC2)c1 785671079 VVWQZESIQUKJML-UHFFFAOYSA-N 445.563 0.834 50 20 ICGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794495414 AEBLHPFSTIMURK-QMMMGPOBSA-N 443.334 0.851 50 20 ICGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)CNC(=O)OCc3ccccc3)cc12 794598205 CJGHUOAEMILYIF-UHFFFAOYSA-N 432.462 0.513 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 801110213 SISYKZUIXGFSRO-UHFFFAOYSA-N 446.485 0.885 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1Br 806979058 LTJMYSGCMWMXHP-SECBINFHSA-N 440.254 0.530 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2C1 815692019 HOSAMSQFFKEIFU-GOEBONIOSA-N 439.520 0.987 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 818425908 ODXKDZVCFSOLNZ-NRFANRHFSA-N 444.419 0.828 50 20 ICGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912918665 ASGSSDGKCPKTCU-IYBDPMFKSA-N 440.566 0.976 50 20 ICGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)CC1=O 914456929 HNGQITFUIPSLSP-HNNXBMFYSA-N 432.506 0.363 50 20 ICGD CC(C)c1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 916092805 HVGWWTVVLNSJTC-UHFFFAOYSA-N 449.533 0.948 50 20 ICGD Cn1c(=NNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)sc2ccccc21 918775947 GIQHHYFLYOZXLB-UHFFFAOYSA-N 433.519 0.993 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 920430108 NGHXPDPOJMBHGK-UHFFFAOYSA-N 446.445 0.681 50 20 ICGD CC(C)NC(=S)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1319414954 RACDWCDUHXASBL-LBPRGKRZSA-N 426.520 0.527 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCCCS(C)(=O)=O 1338343003 LQEDOVBMGAEJPV-UHFFFAOYSA-N 433.556 0.447 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378266 JFLAMGKEPFZWEK-ZUZCIYMTSA-N 430.259 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(OC)n(C)n1)C2 1782173747 ODDKUOJXYFYWIR-ZXYWRSMDSA-N 428.917 0.810 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1783856873 DOGNANFADBNPJF-OLPIVMHESA-N 428.913 0.826 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783938081 SLCBMIJIAVZZOX-XXIDSNJLSA-N 435.550 0.668 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1784067964 GUURWCXJICNYTK-WUYHNSQBSA-N 439.875 0.875 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1 1784094787 ROIADMPGEQNLPK-XDKXFUCDSA-N 430.929 0.545 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1785007485 LRGULSFLPJYRNQ-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1786400985 KKDGYISCIYDJHI-IHRRRGAJSA-N 442.310 0.066 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1ON=C(c2ccccc2)O1 1788516018 GRCGQWQVYBOPAS-YPTDYUDTSA-N 437.880 0.301 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)N1CCN(C)CC1 1789797330 IOYMGLLXNAXFRZ-OLMNGRFOSA-N 449.365 0.293 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926310 RFMLSIPXGZQNCB-MJDBTJCESA-N 436.322 0.961 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CC1 1792972794 VKZBJENQFYFHTK-XGUBFFRZSA-N 445.944 0.481 50 20 ICGD N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)ccc1F 1796188524 PVOOYEOCPBGWLV-ACDBMABISA-N 435.264 0.872 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188867 VNGDXFBVZHSFPU-IYXXYTSJSA-N 429.282 0.147 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398646 CIUGONCBYNPDCR-SLZITWOASA-N 425.327 0.324 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1796445653 GZDZHCBWBXDHIJ-QHSLLCONSA-N 445.520 0.261 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c(C)cc(C)nc12 1796921588 AFFCZBMFWJUCRG-FSDCSDTHSA-N 435.912 0.803 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2 1797754235 ODZYSQDOSHYSLA-NNNWTRQLSA-N 449.511 0.618 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1799264561 QRSCHONCVFFEOV-LMWOUKEDSA-N 429.926 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2ccoc12 1800051544 DZQFQPZFMJJAON-XEMDLRDOSA-N 434.257 0.630 50 20 ICGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1F)NC(=O)NCc1ccccc1 1800376270 QHKXXXJBRBKPAC-STEXWYFWSA-N 447.511 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cccc(O)c1 1800590387 YRPBRJVHCYVJCF-PHFADZCDSA-N 430.505 0.368 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccc(C)cc1)C2 1800982999 NRVVPOSVHHLZIQ-SFNKJDCFSA-N 437.924 0.568 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361874 ILEUGSSFZOVQLU-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363493 OUNTYVJVYZTRME-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367114 QCVBHDANKKRTJU-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376241 URLMYGJPLJGAOG-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD COc1cc(C(=O)N2CCCC3(CCN(C(=O)CCC(=O)NN(C)C)CC3)C2)n(C)n1 1807530334 ZWJXSOLQQKRCMO-UHFFFAOYSA-N 434.541 0.647 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1811535381 JLXRGLRDBYJJCX-WIYYLYMNSA-N 443.272 0.595 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813073554 JCNPZMYZZROUAY-HTAPYJJXSA-N 442.520 1.000 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(O)nn1 1816296733 LFBATYSROUYTMU-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1)c1ccc(B(O)O)cc1 1817470574 DWBZPUIGDOOXLN-KRWDZBQOSA-N 434.265 0.428 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C1(O)CCC1 1817475313 NDDCUEXLKZPIQG-KDOFPFPSSA-N 440.309 0.947 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475874 XMQXJIFJSJYWCX-SJLPKXTDSA-N 428.298 0.802 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830534931 FDOGEDQOFCLJET-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1830535295 LXGOZLCBZXCDGI-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2)C1 1830720385 YRRCMGDCIOBVAF-IIMDRIAPSA-N 440.899 0.985 50 20 ICGD Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833898928 HFZCWGCACAOHOJ-AWEZNQCLSA-N 431.310 0.691 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800386 FQQDCPZBMPDLEM-UHFFFAOYSA-N 449.788 0.817 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1834856537 PTSLIOHIWAIIPO-DLBZAZTESA-N 425.309 0.632 50 20 ICGD COC(=O)C12CC(C(=O)N3CCC(OC4CCN(C(=O)[C@@H](O)CCl)CC4)CC3)(C1)C2 1836718864 FGURVNSEOCLWBR-ATIQYGATSA-N 442.940 0.928 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837196170 JTTOWKZFGQMHAP-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1838785039 DKHKAQAWPHZJBZ-UZLBHIALSA-N 448.944 0.855 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839389967 QHIRRMGOVLRQIV-DCGDGQDLSA-N 443.859 0.747 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839463494 WIOTZSSRJBKJKI-DYESRHJHSA-N 440.924 0.982 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839966308 AJLAUDOZGSUFEQ-YJBOKZPZSA-N 443.342 0.821 50 20 ICGD O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840191699 OHIIJISAVIHZOL-HNNXBMFYSA-N 439.328 0.046 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840232384 VGMRGGYIMXWSSF-DOPJRALCSA-N 436.336 0.205 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cc(C)cn1)CCO2 1840407884 XBWUJQTUOBGUQK-BXWFABGCSA-N 428.917 0.463 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@H]2O)C1 1841386136 BBMPGQILHOLCFH-NHCUHLMSSA-N 434.301 0.479 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2=CCN(C(=O)OC(C)(C)C)C2)C1 1841521453 WEPWWVKNXJUCBQ-UHFFFAOYSA-N 449.552 0.740 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845420954 OORXBPITDWBWSO-FSJBWODESA-N 441.444 0.754 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC13CN(C(=O)[C@H](O)CCl)C3)C2 1845861624 UUNSNCIAKGNSDW-DZGCQCFKSA-N 438.912 0.425 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846070172 TYCORVLHYVFTLK-LLVKDONJSA-N 445.339 0.829 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)c1 18994612 CEVNTJMWAHGCSL-UHFFFAOYSA-N 443.551 0.691 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726440054 QTANDBYGZMSXKL-LLVKDONJSA-N 426.495 0.936 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1=O 728951484 JOYJTFGBWZLVNC-GOSISDBHSA-N 437.504 0.825 50 20 ICGD Cc1cccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729274840 FPTYNNFWAAUSGO-LLVKDONJSA-N 426.524 0.017 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 729617769 GWKXFZQHJGFBRN-UXHICEINSA-N 430.553 0.392 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 740851777 VOBHSELXWQJHEU-NSHDSACASA-N 425.467 0.713 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 746745999 ATHLFCRUMWDCKU-UHFFFAOYSA-N 437.508 0.210 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1=O 746778649 BWNFABIUSUWMJW-BDJLRTHQSA-N 430.508 0.021 50 20 ICGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccs1)C2=O 751210569 HFFMASQCGRIGNY-MPBGBICISA-N 449.533 0.762 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 753981506 MIVKOKLNNSTTKG-OAHLLOKOSA-N 429.520 0.199 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCC(=O)N3)c1 756113778 KSAGMNSWMOBMHJ-UHFFFAOYSA-N 433.446 0.734 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cnn(C)c3)c2)CC1 756358545 JOEDKDASNLITGU-UHFFFAOYSA-N 435.510 0.213 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 756843811 JEBPHPGXGIVCHR-UHFFFAOYSA-N 428.247 0.203 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758014685 BOXWIMPWFMQWJK-UHFFFAOYSA-N 439.432 0.357 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 758027559 WIIWIMGFYJKUOA-IPYPFGDCSA-N 442.538 0.974 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 758046451 SFBOQUVMHRQMPO-ZDUSSCGKSA-N 426.495 0.120 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)Cc2ccncc2)cc1C 760393381 KHVYRBMGJMGXSK-QGZVFWFLSA-N 447.517 0.001 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccnc(Cl)c1I 763436949 CFLWARXNAJSHSM-ZCFIWIBFSA-N 443.650 0.535 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cn2)C[C@@H](C)O1 763574568 FBPQGVWZIVUEGK-BETUJISGSA-N 446.439 0.058 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 763629638 FXIJYEHAZJWMHN-HNNXBMFYSA-N 438.440 0.365 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccn2C)c2ccccc2O1 763992214 AMYDQNCCRRCNDR-SFHVURJKSA-N 441.488 0.885 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 764230766 KWHVUBUHTIPXBV-KBPBESRZSA-N 448.501 0.850 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 764233326 UVGXXQKBPMGBGX-LLVKDONJSA-N 438.437 0.642 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764267066 SIZSOZMVOYOBAF-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 764398895 YHUVPNKSSRVPIG-AWEZNQCLSA-N 433.490 0.949 50 20 ICGD O=C(NNS(=O)(=O)N1CCOCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 765031266 RGWRUNBAEFIUQD-UHFFFAOYSA-N 443.485 0.256 50 20 ICGD N#Cc1cc(Cl)nc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 768707897 SANNBIITNOAYPN-UHFFFAOYSA-N 434.865 0.484 50 20 ICGD CCNC(=O)COc1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1OC 770339789 FMRCUASSAHPYNQ-UHFFFAOYSA-N 444.452 0.419 50 20 ICGD O=C(NNC(=O)c1ccccc1O)C(=O)Nc1ccc(I)cn1 773509596 ASYHCJFOZMNNHM-UHFFFAOYSA-N 426.170 0.792 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 780173202 HMKBNRCBTYSYFG-UHFFFAOYSA-N 437.869 0.196 50 20 ICGD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782896366 GZKGDLIVYGNLIJ-UHFFFAOYSA-N 448.461 0.904 50 20 ICGD COc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003279 CYSQNFOHBDDEGG-UHFFFAOYSA-N 442.400 0.874 50 20 ICGD O=C(NNc1ncccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784815427 AUTBOHNVDKFSHY-UHFFFAOYSA-N 439.881 0.838 50 20 ICGD COc1cc(CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1O 789259002 HPXMHEPZVDGUKY-UHFFFAOYSA-N 433.373 0.865 50 20 ICGD O=C(NNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1cnn(-c2ccccc2)c1 789838857 YEYAWDQCRWQYGB-KRWDZBQOSA-N 432.506 0.727 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2ccc3ccccc3c2=O)ccc1Cl 790483715 QGVPLIFQDSRSRS-UHFFFAOYSA-N 434.861 0.764 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ncccc1C 792376017 OGLACWAGGNUMJK-UHFFFAOYSA-N 433.490 0.801 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cnc(CC2CC2)nc1 793037093 UMPIGPWQRKHYAD-UHFFFAOYSA-N 430.490 0.952 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1C 794763377 BTGSSIYYKKAMAN-UHFFFAOYSA-N 431.474 0.684 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 796991207 ALOSDJUIKSRVIU-UHFFFAOYSA-N 427.417 0.981 50 20 ICGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368830 HPMYBIHGHJRBBP-UHFFFAOYSA-N 434.430 0.547 50 20 ICGD COc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1OCCO 798337129 ANIGDKOCIJOSQQ-UHFFFAOYSA-N 437.312 0.506 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(F)F)nc2)c2ccccc2c1=O 802566246 FXFOKHYGEJMHDY-UHFFFAOYSA-N 446.370 0.813 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(C)o1 806973254 HEMQDGCABXKHMZ-GJZGRUSLSA-N 440.456 0.693 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)nc21 807528352 OFKXVOQJZZPPDJ-NSHDSACASA-N 440.530 0.727 50 20 ICGD Cn1c(=NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)sc2ccccc21 812984120 SSSDRHSTOZPHEN-UHFFFAOYSA-N 438.513 0.742 50 20 ICGD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)C1 815691127 FWUPAMMIHOWXMO-WBVHZDCISA-N 439.520 0.859 50 20 ICGD COc1cc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)cc(OC)c1OC 859249249 WOHGUOBEVHAAPV-UHFFFAOYSA-N 427.479 0.065 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3ccnc3)nc2)cc1 896506786 QLCIUSDKZMVGOW-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912952841 NZNLEIOPILZFGC-MTPYNGCESA-N 437.562 0.776 50 20 ICGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 915164921 TXJGWNAIKQBGBQ-HXUWFJFHSA-N 444.469 0.318 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 916463306 WCOHMQYAXYLMAI-SFHVURJKSA-N 434.460 0.970 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 916516829 KUCBPEKVXQPJGU-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CO2)NNC(=O)[C@@H]1COc2ccccc2O1 918057065 CFISMMYKIYXFEX-INIZCTEOSA-N 427.369 0.162 50 20 ICGD CS(=O)(=O)Nc1ccc(F)cc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 920458729 XFRWROJIYHZULO-UHFFFAOYSA-N 429.451 0.676 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=S)NC(C)(C)C)c1 1331912604 YECFVXBUFGHRQP-UHFFFAOYSA-N 443.595 0.741 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1781784514 BELWKVOSMHBGNE-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659407 PIJFCRQDPFMGJR-DYVFJYSZSA-N 427.299 0.104 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783354447 AHOIGQNEEXRMIM-CXAGYDPISA-N 427.299 0.247 50 20 ICGD Cc1cc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1785063237 VNNBHYLHJHGXPO-JOCHJYFZSA-N 444.243 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786983864 BXQGZBXPKWUCEJ-QRFRQXIXSA-N 448.288 0.150 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)ccn1 1788611402 ZGEFDRBVNHGOCQ-SNRMKQJTSA-N 438.488 0.296 50 20 ICGD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792868783 PAGCDIYEHOETNO-OHTBPHCPSA-N 437.356 0.513 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)CBr)c(=O)nc1O 1792992337 SRUDNTGXOKLSRS-RUZUBIRVSA-N 441.326 0.927 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(-c2ccncc2)[nH]n1 1796191846 FNVJHOYFTHFCIP-REPLKXPHSA-N 445.288 0.717 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)c3ncccc13)C2 1801011233 CQYJKUPJQYTYMK-YVWYUNDQSA-N 442.520 0.150 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803401416 HEIMUBLPZLXXGW-ICSRJNTNSA-N 437.305 0.696 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804424995 JZUUESMUQPUEOT-GCJKJVERSA-N 447.304 0.437 50 20 ICGD CC1=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCO1 1807362310 GBQWNXJGRJNGNU-WIYYLYMNSA-N 435.289 0.775 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2(F)CCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367814 MORJCONRXLPOKK-PKOBYXMFSA-N 425.269 0.973 50 20 ICGD O=C(/C=C\C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)NC1CC1 1809978567 DJMUNENJDDOZML-FPLPWBNLSA-N 439.321 0.046 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1810095530 RIPXYXRSWNHGCL-QBYUYEEZSA-N 442.900 0.406 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)c3nc[nH]n3)C2)CC1 1810374397 KNYADXXKQMXSKD-ZVHZXABRSA-N 426.481 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1813070586 KKVYEGLFPZXLCP-HRAATJIYSA-N 427.509 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1 1813071497 QXCQHCZJWMQJRR-WIYYLYMNSA-N 431.537 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817125896 ZHDVVBAALJARCE-MADCSZMMSA-N 426.861 0.902 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819446338 OEQKGJSTYBUIBH-HNAYVOBHSA-N 439.589 0.904 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1824434251 BRAISBLBYFZNET-BIKZULFDSA-N 444.536 0.876 50 20 ICGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830732078 QXIQMIXCEAZLJV-XLIONFOSSA-N 425.913 0.422 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830894907 HTLQJPAVUNUUAJ-FXAWDEMLSA-N 427.929 0.620 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831477747 CVVRMWHZHPOMDM-MLGOLLRUSA-N 438.294 0.048 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 1831871095 LVNWVPKKFFAYHT-INIZCTEOSA-N 430.571 0.024 50 20 ICGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832249023 IERQFOCRMWKALM-QPUJVOFHSA-N 438.733 0.332 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1832942605 OQEGMKNAEQSWOC-GOEBONIOSA-N 433.278 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3OC)CC2)CC1 1834083064 XGPXNSBMZABWFI-QGZVFWFLSA-N 441.960 0.868 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)nn1C 1834115282 LCODKBYHEIODFP-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834627014 MZDSSFHVTXEIJV-QGZVFWFLSA-N 428.961 0.434 50 20 ICGD CC(=O)O[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(C)C 1835646051 CVCMCGZUROUAFD-MSOLQXFVSA-N 431.961 0.745 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128783 VMCYNTHBWGLTPG-KUHUBIRLSA-N 427.885 0.483 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1)n1cnnn1 1836414342 FXJMCPQNLLOXTH-BXUZGUMPSA-N 446.325 0.496 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419357 DOUBTIDXTOMSDJ-APPDUMDISA-N 444.282 0.346 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837399597 XKDVEPNTIZHVOT-OXJNMPFZSA-N 428.602 0.867 50 20 ICGD COCC(=O)N1CCC(OC2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1837696552 GROQPKOLDXQUDU-HZHRSRAPSA-N 433.509 0.765 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)[nH]n1 1837987021 BHHDTODQAOYOLW-AUUYWEPGSA-N 428.917 0.377 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3OC)CCO2)C1 1838177548 AKFKZBKLKKNLQJ-OXJNMPFZSA-N 441.912 0.722 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)C1 1839067280 LJLFFFKTFMUEHD-ZQIUZPCESA-N 436.322 0.475 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1C 1839153173 CQONDFIZKDXGRJ-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198087 SIGPCDFHZAJTCR-SUMWQHHRSA-N 446.273 0.851 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839446873 WYSFXDUENAPXKB-GOSISDBHSA-N 443.294 0.953 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840152002 TXQIZOCPKICMJJ-UZLBHIALSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840155327 YADGQCZYDLNOAJ-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840429992 KFFRMAWDMWJFCF-MAUKXSAKSA-N 443.342 0.761 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609493 KEDLXTQLCVZFAG-JSEZXORMSA-N 431.327 0.509 50 20 ICGD O=C(c1ccc2c(c1)CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840658623 DABRJYLLJNOMID-UTKZUKDTSA-N 438.908 0.681 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841338528 MFRFSMVEUFXGMA-FUHWJXTLSA-N 442.321 0.553 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010409 MPAARBKBIABUJL-UHFFFAOYSA-N 445.325 0.487 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847644122 LRHTTYIJKGELET-QPSCCSFWSA-N 433.933 0.718 50 20 ICGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1csc(N2CCOCC2)n1 21967516 UGGRRBTYBHDZEY-UHFFFAOYSA-N 434.434 0.079 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 23567425 OBXKJPWOIQFDOT-HNNXBMFYSA-N 440.431 0.812 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 725873233 LWCPGBMFCLJTSX-UHFFFAOYSA-N 431.474 0.382 50 20 ICGD Cc1nn(C(F)F)c(C)c1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728334169 WREHCPGYDUPRRA-OAHLLOKOSA-N 438.387 0.968 50 20 ICGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 728845401 JSNPOYJPJIQZFB-FVQBIDKESA-N 428.493 0.404 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)CC1 734824946 OGLWDRSRJLSYOZ-UHFFFAOYSA-N 447.539 0.739 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 735420436 QTCRVHJRURCARH-CQSZACIVSA-N 434.474 0.331 50 20 ICGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 740704596 GDZCLLBXKZYFTN-UHFFFAOYSA-N 437.297 0.058 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478358 OLTBSYKBRVYDHM-MVDPKGKRSA-N 437.452 0.917 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 744391247 QHKQVFMHTPGTCT-UHFFFAOYSA-N 441.513 0.716 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 744566179 ZFLGVYIVKBWOJA-RCBQFDQVSA-N 426.429 0.426 50 20 ICGD Cn1c(=O)n(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc21 744619474 QCIKRNUZOXLWTB-UHFFFAOYSA-N 445.501 0.504 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619489 QVBFIWIMWPPKTQ-OAHLLOKOSA-N 442.563 0.852 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 744817539 TXOFSQJZHPJMSY-GFCCVEGCSA-N 433.417 0.864 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2n[nH]c(C)n2)c1 746093951 VXNUQLPENWUNHT-UHFFFAOYSA-N 426.524 0.697 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 747407575 RIOVORHPRKPOLY-CYBMUJFWSA-N 432.462 0.838 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 747715450 HTXWCEXSLVRKRD-UHFFFAOYSA-N 442.563 0.923 50 20 ICGD CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 747849049 UEFUMYCGQKWGRU-UHFFFAOYSA-N 427.446 0.195 50 20 ICGD C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2N1C 749865883 WIRJFXPVGIXZHD-LBPRGKRZSA-N 445.501 0.789 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)C(=O)Nc1ccccn1 758840481 OYYSCPMKMSVHIA-AWEZNQCLSA-N 435.444 0.596 50 20 ICGD NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 760139293 PQHNNSRQRRHBTK-SJLPKXTDSA-N 440.456 0.698 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(C(F)(F)F)cnc1O 763572878 VDPMNHBBXBQLLA-LBPRGKRZSA-N 426.307 0.732 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1C 763663938 OVTJLCKVIMMJTG-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 763813184 YDIDFKPFXSDTQK-UHFFFAOYSA-N 448.501 0.847 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 763815017 ZOLHNKSJCWHEJH-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)C(C)C 763832243 NDORAZPHSBNSQA-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763864481 BQICQKZXWLIEAI-CQSZACIVSA-N 447.451 0.702 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC 763900986 JYTPUMDDTPQJNU-UHFFFAOYSA-N 443.395 0.608 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2C1=O 763945093 VZZGCYQIUCQUSI-UHFFFAOYSA-N 448.395 0.203 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 763957655 INFFBQJFSWXFKL-GASCZTMLSA-N 442.476 0.227 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 763958216 SBGPMYYZIIDWSW-UHFFFAOYSA-N 447.517 0.711 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1 764116647 MYMAAUMEXWEAJO-FSJBWODESA-N 449.411 0.538 50 20 ICGD O=C(NNC(=O)c1ccoc1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764159317 VIHNSVCPZDSVEN-UHFFFAOYSA-N 439.428 0.493 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)cc2)CC1 764171387 KHXORQQEIAZFNW-UHFFFAOYSA-N 427.461 0.386 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764229898 DMCKIULGFAJJHH-SNVBAGLBSA-N 434.902 0.398 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 764284346 JWRGYSLMTRIRCW-UHFFFAOYSA-N 426.385 0.329 50 20 ICGD O=C(CCCc1cccs1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764340135 UKTHDLBTWKTXPE-UHFFFAOYSA-N 443.485 0.909 50 20 ICGD Cc1ccn2c(=O)c(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cnc2c1 766640719 FKXSOHVFODBMCE-UHFFFAOYSA-N 448.483 0.222 50 20 ICGD Cc1nc(SCC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n[nH]1 766663240 JVOSBUIPWQVRDN-UHFFFAOYSA-N 437.957 0.824 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 767089054 RQKHEENLNLUNDB-MRXNPFEDSA-N 440.566 0.974 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1Cl 768453170 UTUKGWBFNOVACL-HNNXBMFYSA-N 440.909 0.842 50 20 ICGD C=CCNC(=S)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771243293 ANDSKXAJAXWNBG-MRXNPFEDSA-N 440.323 0.897 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C(N)=O 771604815 MNRVMPLNROBVDW-UHFFFAOYSA-N 440.865 0.073 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 771903528 QEVDYDHZRLUTEK-DTWKUNHWSA-N 440.250 0.923 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 772208806 WXPSMERTYWHWNY-MPBGBICISA-N 434.449 0.260 50 20 ICGD COCCCOc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 775257615 PYAMBQFTOWNNLR-NSHDSACASA-N 440.927 0.500 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 776246430 TYHQYOXKLSNNQR-GFCCVEGCSA-N 432.474 0.248 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 782116801 GLJJVLWDVBEKNS-UHFFFAOYSA-N 439.472 0.763 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C)cc3O)c2)CC1 782117945 UUEOEVUDRTUFSP-UHFFFAOYSA-N 439.472 0.769 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)C(=O)NNc2cccc3c2CCCC3)c1=O 783451068 FQAVVJRUJSPEJR-UHFFFAOYSA-N 432.502 0.854 50 20 ICGD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003487 HAOKXXRRQJHNML-UHFFFAOYSA-N 438.849 0.704 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(SC(F)F)nc1 784004396 FSKUQYDSCHNEPU-UHFFFAOYSA-N 429.430 0.974 50 20 ICGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 790120334 OJOTULROAWRFJT-UHFFFAOYSA-N 427.914 0.849 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 797369758 IJMPWDQKYQVIJK-UHFFFAOYSA-N 442.428 0.794 50 20 ICGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 798830397 PXUNGMVCIRCGBU-OAHLLOKOSA-N 431.518 0.771 50 20 ICGD O=C(/C=C/c1ccccc1)NCCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857773 XJZWQRAANVUFRS-KPKJPENVSA-N 434.460 0.826 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 814650377 IXHMOSCBYOQSDV-CYBMUJFWSA-N 433.494 0.382 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 919839565 NBGFXTIPVXMLDM-UWVGGRQHSA-N 434.301 0.928 50 20 ICGD CCN(Cc1ccccc1)C(=O)CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 920050798 FLPBVNPKQYLCMF-UHFFFAOYSA-N 446.533 0.972 50 20 ICGD C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 920350516 VHYQPSPBQFZXGV-STXHMFSFSA-N 438.550 0.817 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)NC1CC1 920766388 BRGIOIARBRQCAF-UHFFFAOYSA-N 437.478 0.262 50 20 ICGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 920999905 WKUFTJIMZAWBBC-GDBMZVCRSA-N 425.507 0.816 50 20 ICGD O=C(NCCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 921248229 SYBRBMJKKSNDKS-UHFFFAOYSA-N 429.462 0.470 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1C 1346622035 YEFGRMQPRGOIKN-OAHLLOKOSA-N 435.502 0.803 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780989191 NNMTUTQNXWBTSV-LWROZRRASA-N 438.488 0.588 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1781399847 FVNNKRBUXROXFK-IAXJDVGUSA-N 446.508 0.751 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782678585 CAARFQKSBXLIQC-MEDUHNTESA-N 429.271 0.174 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1)C(=O)O 1783968463 VAJKZFFXULMNED-PEDHHIEDSA-N 434.331 0.060 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21)[C@H](O)CCl 1784092241 LAUZSCPVBXRICR-HNKHHVNMSA-N 434.880 0.528 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504611 AZHVWTWAXKKNEL-GUUCOKDPSA-N 433.340 0.536 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1C 1788610506 WSXRNLKYMBCQTR-JVPBZIDWSA-N 440.504 0.239 50 20 ICGD CCc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)co1 1788611065 JAHJMGYKJWZQQI-NUTKFTJISA-N 442.476 0.143 50 20 ICGD CCc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1788768023 ZEFINTLRHAXBES-WBAXXEDZSA-N 443.334 0.292 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871328 VBZWHYKDDFUSJW-QKDZRIPBSA-N 432.359 0.912 50 20 ICGD N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(C(F)(F)F)n1 1792977364 UINZSLYWDLNAPP-RDBQEKCUSA-N 446.813 0.775 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1795114969 RXYJLNIQKVXTIH-KAYRBKQESA-N 442.354 0.762 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nc2ccccn12 1801011116 DADQZFJAHCMXAD-VPTLXERWSA-N 442.520 0.219 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801517572 WHAJYNMMJFYYHN-BKEDOTJMSA-N 447.444 0.760 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802333282 SYJUXTBMLGPGQB-YDOXXCSQSA-N 445.524 0.132 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1csnn1 1803748768 OLWAJXUNSWQFNT-QAPCUYQASA-N 437.290 0.246 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803939265 NFVKBOIXCWQCMK-JBACZVJFSA-N 436.321 0.175 50 20 ICGD CC[C@H](NC)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807343422 DRUFRSRNAQATRN-ZYSHUDEJSA-N 439.520 0.398 50 20 ICGD COC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360360 RSJPGTOYPSKHSN-QSFXBCCZSA-N 425.294 0.364 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1813071051 OHJMKWUTBYHNRX-OXJNMPFZSA-N 441.488 0.936 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813333690 FMILMMWRVFUMTL-JTSKRJEESA-N 442.520 1.000 50 20 ICGD Nc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)s1 1815339590 IYSMBALRGFBCKT-NSHDSACASA-N 443.319 0.401 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(O)c1)CC2)c1ccc(B(O)O)cc1 1815348179 HVZJPCMKWIWWCL-CQSZACIVSA-N 438.274 0.463 50 20 ICGD O=C(Cc1cccnc1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354415 AIFRGRQXUZKDTR-INIZCTEOSA-N 436.302 0.686 50 20 ICGD O=C(CC1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354726 QXKCPRZYKBLZSS-MRXNPFEDSA-N 443.334 0.865 50 20 ICGD CSCC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361447 FJIORUDOWKOSPN-ZFWWWQNUSA-N 449.363 0.163 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1817354806 KTMDMCCCDWKNJK-CMPLNLGQSA-N 429.319 0.780 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817470403 ALLAUFKHBVFGOO-SFHVURJKSA-N 436.281 0.751 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816560 GKPYGDBUWMFJBY-JOYOIKCWSA-N 449.859 0.095 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n[nH]1 1826087780 KPMBMLKRADCZGO-LBPRGKRZSA-N 433.538 0.702 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826834779 ZJWDWPZLZDREMP-KBPBESRZSA-N 447.565 0.961 50 20 ICGD C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCCN1 1827056803 UYCNIJRQXSEZMM-NFBKMPQASA-N 427.354 0.742 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827651453 YMAXQVQBSWDVKG-OAHLLOKOSA-N 449.512 0.924 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1 1828186578 XZRIOQZUWZMTTH-NWDGAFQWSA-N 444.517 0.794 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1830369870 CSIFITXQBZEBHI-MRXNPFEDSA-N 443.850 0.386 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1CC=CCC1 1833269676 ZRFBJPCEPJJTCR-GOSISDBHSA-N 439.365 0.908 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1833309935 FGAAKJAHVJYKBI-PASDCYSWSA-N 426.989 0.498 50 20 ICGD CN(C)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834014692 AVORRIMDGIXPQY-IBGZPJMESA-N 437.972 0.933 50 20 ICGD Cc1nocc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801219 UQGQKRJNPJTHBJ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835628443 RFOOISPOFKMHMB-NHYWBVRUSA-N 435.250 0.326 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836667996 JLIMTQPVVYJCRQ-YLJYHZDGSA-N 430.977 0.098 50 20 ICGD CC/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460695 JJBPBOSZTBVWJG-DPDMALBLSA-N 431.493 0.111 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883504 IZZGCPMYRJCVAC-IUODEOHRSA-N 447.374 0.361 50 20 ICGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Br)CC3)CC2)=NN1 1838380108 MFJABHXTMNTUSE-AWEZNQCLSA-N 433.278 0.551 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828430 QOGYSVHWMPJPIF-YVEFUNNKSA-N 430.845 0.247 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)CC)CCO3)nn1 1839145669 BUZGBNHQFRJTFD-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1cncn1 1839155440 UBSJBXNAZZQQJT-KBRIMQKVSA-N 434.324 0.532 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155568 XSKBAOWPEJVHTO-NHCSIYGUSA-N 436.336 0.719 50 20 ICGD O=C(c1cccc2nscc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839574840 GPVTXECIJHKERM-QFBILLFUSA-N 439.921 0.966 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839962455 FRFSLKFIRJWQRX-QAPCUYQASA-N 442.310 0.564 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840153723 YOQFODCRMNHUKB-AUUYWEPGSA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840155092 POHNIZIETIGVIF-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD Cc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183730 WEYAYRUKPPDBPN-HSZRJFAPSA-N 446.548 0.367 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567181 FQGMQTQWOIFPMC-CRAIPNDOSA-N 434.375 0.957 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 17190755 NLLVVXMKRGLGJN-UHFFFAOYSA-N 448.439 0.271 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 115863440 XXEWBRBRNNZYSE-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1[N+](=O)[O-] 726508360 HKHZNFWNFXSXGJ-HNNXBMFYSA-N 443.416 0.678 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccnc(-n4ccnc4)c3)cc2)CC1 728216100 QJOZYCGYKUBROQ-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NNC(=O)Cn2ccc3ccccc32)c1 729507271 PIUIHFJBFBQYEE-UHFFFAOYSA-N 429.458 0.720 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(S(C)(=O)=O)o1 733589116 VOZXARHIKVHXJD-UHFFFAOYSA-N 430.822 0.963 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737767094 ZKCIMEYPLPQFLY-UHFFFAOYSA-N 440.409 0.581 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)cc(OC)c1OC 740738871 SIKNEYCJBBSYFN-UHFFFAOYSA-N 429.389 0.845 50 20 ICGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)c1cccc(Br)c1 742768325 BLBJQUFKBUFHJT-UHFFFAOYSA-N 427.280 0.974 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 748614756 SBWKIHVXDHNSAJ-HNNXBMFYSA-N 442.538 0.530 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 748636787 XQFPEYATGQTFET-MRXNPFEDSA-N 427.546 0.093 50 20 ICGD N#Cc1cc(Br)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 754256211 GKNXSMSLXVXXKR-UHFFFAOYSA-N 427.236 0.653 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 755498420 CJEBOTLAMGDXIO-OAHLLOKOSA-N 439.494 0.506 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 755845386 CNZHGIZTASQLKI-UHFFFAOYSA-N 428.405 0.116 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3ccncc3)cc2)CC1 756356977 AKGPTWQIMRMHMU-UHFFFAOYSA-N 425.493 0.758 50 20 ICGD CC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 756736141 BNBUCDHRJJVZIW-HZPDHXFCSA-N 426.543 0.601 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Br)nn2C)cc1OC 758789998 UXYLJGPDYSSUQC-UHFFFAOYSA-N 441.238 0.818 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccn(Cc2ccccc2)c1=O 763579474 VPUHHFNGIOXKIU-LJQANCHMSA-N 448.435 0.823 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)ccc1F 763945488 YOXFXDGSLJQYBC-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 764226061 FBUBMLOCJJAAIH-SECBINFHSA-N 432.549 0.189 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(F)ccc2Br)n1 764276823 GOTZTVGJUSTXHD-UHFFFAOYSA-N 441.261 0.746 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)sc2c1CCSC2 764359968 RDFFXMOIKMRANT-UHFFFAOYSA-N 437.503 0.847 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CN(C4CC4)C[C@H]3C)CC2)cc1 764816790 CFBWKPQQMFOMCL-QGZVFWFLSA-N 433.578 0.888 50 20 ICGD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 764873518 COPVFIBTHCLRPZ-JTQLQIEISA-N 432.480 0.464 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 766686551 BXADSDUFYVXDMP-UHFFFAOYSA-N 437.547 0.971 50 20 ICGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)N1CCCS1(=O)=O 773193209 GVKABQMJKITQFA-HNNXBMFYSA-N 431.898 0.704 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 774308704 LZQCVGFDXZUNKK-OAHLLOKOSA-N 440.522 0.632 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 775191361 NDSYESMFTAXWNA-AWEZNQCLSA-N 429.502 0.920 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777777027 CEGXGGHJOUZNPT-UHFFFAOYSA-N 440.341 0.035 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)n1nnnc1C(C)(C)C 777792513 RHLIYODPCIEJDI-CYBMUJFWSA-N 449.537 0.777 50 20 ICGD COc1cccc(-c2nsc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)n2)c1 784004804 VLWYYAARLJFUCM-UHFFFAOYSA-N 444.429 0.323 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)n1CC(C)C 788001132 UVVYFTBINXYJAS-ZTBAGQMDSA-N 448.589 0.970 50 20 ICGD CCn1cccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1=O 789292076 AGHDEZDATQEDGD-UHFFFAOYSA-N 426.521 0.911 50 20 ICGD CN(C)N(C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)[C@H]1CCS(=O)(=O)C1 792853068 CHOQTGSUWSNHRM-NSHDSACASA-N 432.462 0.194 50 20 ICGD CO[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cnn(C)c1 798980099 DNEWEWCGFXWSCH-IBGZPJMESA-N 434.928 0.726 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 801105857 MKKLXTJVFGAANH-UHFFFAOYSA-N 433.424 0.718 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccc3c2CNC3=O)cc1 806754272 NYYBNKNXLVOAEN-UHFFFAOYSA-N 431.474 0.712 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 808045616 OGQGXSURIHDOAF-GJZGRUSLSA-N 427.498 0.905 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ncccc2N(C)C)cc1 812536890 RRCWWAMOZPHJRC-UHFFFAOYSA-N 434.522 0.607 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)n1 815565737 YCBGMKHKKGWYKI-UHFFFAOYSA-N 438.437 0.898 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815752032 ZAUXTYDTAPBFJH-UHFFFAOYSA-N 437.478 0.439 50 20 ICGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)nc21 900689704 BJGGZSDQHWNPOZ-UHFFFAOYSA-N 432.824 0.659 50 20 ICGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)no1 912919575 PBBWONOZRKRWIL-MJBXVCDLSA-N 427.527 0.690 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)NC2CCCCC2)cc1 913450870 CVCIRXYUHBLCRG-UHFFFAOYSA-N 426.495 0.805 50 20 ICGD Cc1nc2c(cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c(C)nn2C 914595675 GZJGKZIORDHWTJ-UHFFFAOYSA-N 430.490 0.910 50 20 ICGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 916117623 DEKVANOHOLBQHY-CYBMUJFWSA-N 429.568 0.223 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 916266900 MHCZDMZZQJVSSX-UHFFFAOYSA-N 428.453 0.541 50 20 ICGD O=C(COc1cccc(NC(=O)c2ccco2)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885684 MQICTLKZTZTRJC-ZDUSSCGKSA-N 436.446 0.428 50 20 ICGD CN1CCN(Cc2cccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)CC1 1318250245 NDVYAFMXGLVAFB-UHFFFAOYSA-N 449.519 0.554 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)O1 1320045330 NFCZLQCTMLPMSR-GJZGRUSLSA-N 441.529 0.600 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC2CCN(c3cccnn3)CC2)c2ccccc2c1=O 1321928854 DRCCBLGBCXYYMV-UHFFFAOYSA-N 436.476 0.819 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1 1349194172 SXVSICZIBYKZQW-ZDUSSCGKSA-N 435.481 0.904 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037391 ZHIVBYZRKYHNAM-ZWKOTPCHSA-N 444.319 0.365 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)CO[Si](C)(C)C)CCO3)no1 1779124273 VGIJWOWBWODPKW-IBGZPJMESA-N 438.557 0.394 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373478 VBPUWIRHMIMSEU-IIBYNOLFSA-N 441.492 0.158 50 20 ICGD CC(C)n1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n1 1780210390 OOZUHBLORKAVMH-XMSQKQJNSA-N 448.568 0.965 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 1780499375 RPFAQJVSWWKOJA-NRFANRHFSA-N 428.681 0.777 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)n1 1781330205 TWHDAXKGWXSGHI-CZUORRHYSA-N 433.278 0.664 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)CC1 1782218003 JDBFDRNMPWQRFD-DNVCBOLYSA-N 449.379 0.468 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782279166 AOUYLVVGYPULPC-WBMJQRKESA-N 431.262 0.800 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)OCO3)CCO2 1783935466 UGDYTBWPQGYEPA-NRFANRHFSA-N 432.477 0.232 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1783936056 BNFGCDKKAHUXRF-OAQYLSRUSA-N 446.483 0.290 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096000 QVFANHDRTXMTSW-GVRJEKJASA-N 447.960 0.869 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1787905297 RATPUQLMJITHNJ-UHFFFAOYSA-N 437.305 0.446 50 20 ICGD O=C(Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1)C1CC1 1792980989 XXVPKGQNLVPTAW-CYGHRXIMSA-N 435.908 0.838 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)C(C)(C)C 1793194062 KGJFFORNPWFCPR-ITGHMWBKSA-N 436.322 0.817 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190050 JIVMFESNNBJCFG-WKCHPHFGSA-N 434.301 0.796 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1cccs1 1797754471 YMEYYSZFNBBICJ-FLTUCWPJSA-N 443.529 0.754 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798496232 URQPXPVTDOFOIR-QKPAOTATSA-N 433.896 0.929 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1799278860 ZKNMSFLLUARHAM-SZRLZVLASA-N 434.242 0.491 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800640331 SBFZHFOUJRUIKR-ZMJPVWNMSA-N 439.310 0.557 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C2CC(O)C2)[C@@H]1c1cccnc1 1803044772 BLJWUWYCRKOQKQ-XTUQQUOLSA-N 438.488 0.171 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)no1 1803143247 XRSCHILPGGGYFE-UWWQBHOKSA-N 449.895 0.414 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805528717 YHTGQOKORJWKHI-SJORKVTESA-N 439.944 0.288 50 20 ICGD CN(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806897083 YJUCVNRUHNCCDI-JXFKEZNVSA-N 439.520 0.351 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccncc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372106 ALRCBGIUAPBHMZ-NFBKMPQASA-N 444.300 0.719 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808682248 IOYODCFQYSQJQG-KXBFYZLASA-N 448.487 0.745 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnn4ccncc34)CC2)C1 1809978786 RANSCGVOCGALER-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccc(F)n1 1810752814 BPTHWEUKYPQOCK-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnc(N)s2)[C@H]1c1cccnc1 1813071137 NTVBFNRLFBIRJD-KSSFIOAISA-N 445.549 0.813 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Cl)[nH]n1 1815671414 RBPIQXDXMBZXLD-DOMZBBRYSA-N 435.909 0.667 50 20 ICGD CC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)sc2C1 1817282902 OBMFHHZPXUYJRL-LPUHGPTISA-N 445.505 0.325 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C1(O)CCC1 1817470113 JDAJGGBZCOKMDO-RDTXWAMCSA-N 440.309 0.947 50 20 ICGD Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1 1817471540 RLTJOOHBGPRFBW-GOSISDBHSA-N 436.281 0.601 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(O)no3)sc2C1)c1ccc(B(O)O)cc1 1820712673 LOLLFINLLYEWKX-NSHDSACASA-N 428.235 0.056 50 20 ICGD Cn1cccc1C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822866056 CXZZMJWEUDFLQO-QGZVFWFLSA-N 449.276 0.617 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(=O)n1C)CC2 1826080455 LPMBVCMECQMMDB-LBPRGKRZSA-N 446.533 0.441 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049307 QWWJHKRCDNQPSF-NHCUHLMSSA-N 443.353 0.514 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050623 AVQDYGXDLNFKSS-CFGKVWFZSA-N 442.321 0.719 50 20 ICGD CC[S@](=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052026 MVOMUJKWRZOLEY-GEFUHLBYSA-N 448.394 0.758 50 20 ICGD Cc1noc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n1 1827055197 VBUWWMMEWHZCGA-IBGZPJMESA-N 440.309 0.534 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnnc2O)CC1 1829538761 CRJKHNPFWFIOBU-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCCC1 1829967946 YMVDBXHMQCGASX-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831205857 VTTUADJHYYNIMV-KSSFIOAISA-N 448.358 0.533 50 20 ICGD O=C(CSc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832701215 IQAONEXFJUEPMY-MAUKXSAKSA-N 429.926 0.230 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1834822286 FJBWHQAXTCXQAY-MRXNPFEDSA-N 432.340 0.927 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836395660 KLFNEMYWDRTYDX-IBGZPJMESA-N 435.761 0.569 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n[nH]1 1837592125 WDSFPDLUMJNBGW-CXAGYDPISA-N 429.315 0.500 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837708520 JVACZYCNSXFXLY-MJGOQNOKSA-N 426.542 0.621 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837847384 CFYSJRZOAGXBCY-KKSFZXQISA-N 445.369 0.352 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1837921067 WZPJXYOASIAELC-FQEVSTJZSA-N 430.310 0.158 50 20 ICGD O=C(c1ccc(CO)o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199965 BAULBBDPCHWIEL-XJKSGUPXSA-N 435.246 0.532 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc21 1839527827 SGMUMKWXYUTUEY-WIYYLYMNSA-N 436.892 0.485 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840151305 YDVZZWYCAPNEGB-FZKQIMNGSA-N 433.839 0.684 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1840992105 HIJDDLUTWPSDDX-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD CCn1c(-n2nc(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)cc2C)cccc1=O 1843132961 SJWHVDGFJIHPRO-INIZCTEOSA-N 447.923 0.779 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1846385096 SGIFHIOPIQUFHP-UHFFFAOYSA-N 429.477 0.208 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 725872166 VHZQLJWAKBMMRK-UHFFFAOYSA-N 433.421 0.482 50 20 ICGD C#CCN1C(=O)C(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cc(Br)ccc21 728434375 LMQKYYSUTGMMEQ-SECBINFHSA-N 427.280 0.187 50 20 ICGD COc1cc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCC(F)(F)F 729276275 AUPIZQDHADZNTI-SNVBAGLBSA-N 441.428 0.654 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)COc1ccccc1C(N)=O 729927791 SHALIJLMWPZIOH-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(Cl)c1OC 730571909 XXSNSGBIQQRECD-UHFFFAOYSA-N 427.870 0.392 50 20 ICGD O=C(NNC(=O)c1csc(I)c1)N[C@H]1CCS(=O)(=O)C1 730774221 SNNNWQZFIBUYPC-ZETCQYMHSA-N 429.261 0.484 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nnn1-c1ccc2c(c1)OCCO2 731470796 JFWBJTCXKVQDAD-UHFFFAOYSA-N 447.415 0.397 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 731493875 ODUOLMLIEINBDP-LBPRGKRZSA-N 433.442 0.756 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@@H](C)O1 732264636 VYOOVQZVAJDFGS-OKILXGFUSA-N 444.579 0.793 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474877 YBNRKKOAODCSMY-HNNXBMFYSA-N 437.522 0.529 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686271 LVHNUAZLMVEXCG-QGZVFWFLSA-N 435.525 0.201 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 735993358 DEGWIFNFKRXLPE-HNNXBMFYSA-N 437.518 0.631 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744540370 ZLYIGDGUXJYTDK-VCHYOVAHSA-N 449.402 0.995 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747437633 MMHGCKPZCVOGDB-LLVKDONJSA-N 430.483 0.963 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)C1CCN(c2ncccn2)CC1 753904910 LQINSBPSBSRRPY-CVEARBPZSA-N 436.538 0.475 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1O 754263675 UTRYTUDDSBSYKY-INIZCTEOSA-N 432.385 0.554 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Br 756154916 JFDZRILXRVJSNX-SNVBAGLBSA-N 432.296 0.587 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cnc(C2CC2)nc1 756373431 WDBUQLKLUXEPKE-UHFFFAOYSA-N 446.489 0.841 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC[C@@H]1c1ccc(C)o1 758041090 WIJABBXZSIBWQH-UPJWGTAASA-N 430.483 0.335 50 20 ICGD O=C(NNC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)Nc1ccccn1 758832144 TYQAXLUBDRYSNY-VLIAUNLRSA-N 443.460 0.897 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCN2CCC(N(C)C)CC2)c2ccccc2c1=O 759611293 XHHPLOXWKVRCGL-UHFFFAOYSA-N 443.552 0.947 50 20 ICGD COC(=O)c1ccc(NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1 759731590 WZCZSJCWPIWZTO-UHFFFAOYSA-N 440.503 0.636 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1 763662299 XEUIXBXSHCFXFY-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)n1 763892593 FWNDMVXGQMIUNT-UHFFFAOYSA-N 427.509 0.033 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 763916615 HUQUXVVFSWXHBN-UHFFFAOYSA-N 448.443 0.579 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764169997 XZVNYADTAILHKU-KRWDZBQOSA-N 425.445 0.316 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 764246103 LCLCAWYDLUNLMS-UHFFFAOYSA-N 439.519 0.880 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)c3cc(Br)ccc3O)ccc21 764277345 KVJWIPDJQMWPEL-UHFFFAOYSA-N 449.217 0.999 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 764378337 YIYQYBSGBGOPCW-UHFFFAOYSA-N 430.450 0.403 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1 765738138 IJYJMRYWPPQGPM-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636156 KSWMKZAERBFWHS-UHFFFAOYSA-N 438.410 0.956 50 20 ICGD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 767208710 DLXNFMCEIMQBFG-UHFFFAOYSA-N 440.166 0.888 50 20 ICGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 771384693 VTICCXFFHKRFER-AWEZNQCLSA-N 441.510 0.177 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 771920820 FRDAAIPOSZTOOO-LLVKDONJSA-N 446.913 0.625 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772195375 KRTOEKGKYPLEEY-UHFFFAOYSA-N 431.880 0.911 50 20 ICGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC(=O)N2C2CC2)c1 776293472 JBWCNPPXRCSIAU-QANKJYHBSA-N 435.502 0.329 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003662 KZVKMGDAJLXSGD-UHFFFAOYSA-N 437.865 0.277 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNc3ccc(Br)cn3)cc2)c1=O 784341108 KDMMFOAHGSCKBK-UHFFFAOYSA-N 432.238 0.810 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 784854419 YJADHHWJYNVNEL-UHFFFAOYSA-N 440.456 0.956 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)n1 786734875 JGIPFNOVWIVPIZ-UHFFFAOYSA-N 437.482 0.446 50 20 ICGD CN1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2C1=O 787101007 RITBHNKGGRRYNS-YJBOKZPZSA-N 439.424 0.386 50 20 ICGD NC(=O)CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 788625862 UROHJEUCHYCTBZ-UHFFFAOYSA-N 432.502 0.972 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 790956381 GXFHMBMTEWCDHO-BLLLJJGKSA-N 429.433 0.240 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 794077177 QPWQLZMQJWGPSM-SJORKVTESA-N 444.469 0.764 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 794596093 DGEGUPCPTVYFNI-UHFFFAOYSA-N 425.394 0.760 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1C 806567250 FJLJXLPXMOIKMA-ZDUSSCGKSA-N 440.444 0.835 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](CCC)S(N)(=O)=O)c2ccccc2c1=O 816828355 CANCHHWVDRHSNJ-HNNXBMFYSA-N 437.522 0.805 50 20 ICGD O=C(COC(=O)Cn1cnc2sccc2c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 819056157 WIAOQKNZXYXQFN-UHFFFAOYSA-N 431.386 0.371 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCOCC1 865920226 PJORVWLXKWUGAW-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)CC(F)(F)F)CC1 918075338 INUCECVIKDSXMW-UHFFFAOYSA-N 425.408 0.787 50 20 ICGD CCc1nc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 919807395 GOLZLETYHSOYHC-UHFFFAOYSA-N 438.531 0.730 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)C1 920858278 GMFFWHOSCFZWNH-ZDUSSCGKSA-N 425.467 0.816 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1n[nH]cc1Br 1346289320 ZTUWHBCRZYCUFW-UHFFFAOYSA-N 435.282 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1778024494 NCBOJVKQDSNJKA-JOCHJYFZSA-N 442.520 0.390 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778971514 PNCBPJCLUCBENE-OJAHUALRSA-N 445.520 0.523 50 20 ICGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780235692 DOTONSYJEJMTAT-FZKQIMNGSA-N 441.824 0.367 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1780706084 RPDVIJPOIXABRC-STXHMFSFSA-N 440.928 0.789 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782960213 PHYALBWMKJDDFA-SUNKGSAMSA-N 427.292 0.084 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1785511214 DWPNCQWTLRXGGU-KZDUYQQSSA-N 445.944 0.719 50 20 ICGD O=C(/C=C/c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786999374 WNQNRAAKUQSMNL-WMBCKCKVSA-N 440.330 0.735 50 20 ICGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879884 QRCJZJLVSBARFR-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD CC(C)c1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737215 FIQYUFOVBIFGPI-JLVBRIDZSA-N 443.334 0.463 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC3(CCC3)C1)C2 1797754242 OKWRJYBJKPEANA-JLVBRIDZSA-N 427.505 0.469 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798599090 SUEZBWAXAVLQLD-XRGAULLZSA-N 449.895 0.899 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](O)CCl)C3)CC2 1800409427 SGQNCOHFNIVSLB-IMDBMMJGSA-N 436.936 0.989 50 20 ICGD Cn1cc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)ccc2n1 1800905551 MUNGRBBQSSRRSE-ACDBMABISA-N 432.289 0.819 50 20 ICGD Cc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1801752965 MUGQYGKYLJHEID-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD CN(CC(=O)N1CC[C@H](CNC(=O)C(C)(C)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1802902278 KMLUJSVXZWHXSI-GDBMZVCRSA-N 438.912 0.895 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccnn1 1802935202 IFHPUGIGIFZODH-BDHJUDLHSA-N 439.476 0.628 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1805687393 MKDZUYYONZSMAT-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364033 RVWPIRMQBPCQCO-RXVVDRJESA-N 448.263 0.929 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979846 DELZGMYKMRDBRZ-GOSISDBHSA-N 438.337 0.744 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1 1810301750 BJHXQVVWNGPYHB-KXBFYZLASA-N 446.471 0.504 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1815954253 QKYSUTMJFBXUPQ-SFHVURJKSA-N 436.281 0.601 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc(=O)oc1 1816643178 SECOUYCMIOUJJE-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2ccnn2)[nH]n1)c1cccc(B(O)O)c1 1817479374 LVLGCPFFLKDEHR-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826000611 YMYFNTABUHBHCL-RKDXNWHRSA-N 427.918 0.642 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)on1 1826084045 YJWAMMKWKXHTKR-LBPRGKRZSA-N 434.522 0.967 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821919 ANQFAQLFGIMCNE-AEGPPILISA-N 431.375 0.982 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827144153 ILTCURALINDBDF-IBGZPJMESA-N 440.309 0.534 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)Cl)CC1 1827606931 CMEHKZNCXGQADJ-NVXWUHKLSA-N 437.965 0.871 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1830543311 PQSQWIUWICRSRV-QWQRMKEZSA-N 446.342 0.095 50 20 ICGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c2c1CCC2 1833310225 MGLCXZSQEMBLHW-SFHVURJKSA-N 437.972 0.694 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833532224 IAFKBOOMJLCZQG-QGZVFWFLSA-N 426.993 0.805 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903922 NEYMAXHWFSCYIJ-FZKQIMNGSA-N 430.889 0.064 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cscn1 1834220348 KTLNGJYKILEBIA-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822592 XINRWLPKRQTRTA-MRXNPFEDSA-N 447.355 0.889 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835084172 OTZGUMLFTQXGHT-OAHLLOKOSA-N 427.864 0.894 50 20 ICGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835743030 GLUUSMQRHHWHGL-INIZCTEOSA-N 448.033 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(F)nc3)CC2)CC1 1835886540 GWFOLWWKVYZADR-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835947828 SFGUBTWPAKYJPE-RDTXWAMCSA-N 430.910 0.884 50 20 ICGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCCC1 1837455963 GWCRJYMQHPXSBT-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838099807 PLXWRFRFKCDMSZ-BDJLRTHQSA-N 432.271 0.481 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838108903 UNYMLSMLWZPIIA-MEDUHNTESA-N 432.271 0.624 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838430740 ZKCGNSGECQSPCV-YJBOKZPZSA-N 427.618 0.559 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839463497 WIOTZSSRJBKJKI-UWJYYQICSA-N 440.924 0.982 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839532997 NJPJVWFNEIHQGA-RHSMWYFYSA-N 445.289 0.590 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840030973 BOYYVNRAUNATNX-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840036555 OAVKGVZIXTZFEO-FAYHIZQSSA-N 433.343 0.777 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189458 SEVXGVCCTURLOY-QGZVFWFLSA-N 435.260 0.677 50 20 ICGD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC=CCC1 1840553826 DNUHKPHMJYRPEG-GOTSBHOMSA-N 442.321 0.183 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1840855480 IVJFXNDLXLKTEX-BXWFABGCSA-N 433.933 0.001 50 20 ICGD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CN1Cc1cccs1 1841350337 VUQIOEKXISLRMY-UKRRQHHQSA-N 425.938 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])C2 1846385323 QGKAKALYWATULC-UHFFFAOYSA-N 446.508 0.851 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1)NC(=O)NCc1ccccc1 1847516150 JERHCYLIPHYBCH-BTRQGYIVSA-N 429.521 0.305 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1OCC(=O)NC 725870916 DAYMUSDKQLMRMD-CQSZACIVSA-N 431.449 0.616 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NNC(=O)[C@H]1CCS(=O)(=O)C1 728368480 JXVVGRFFEWUERA-LBPRGKRZSA-N 449.576 0.047 50 20 ICGD O=C(NCCS(=O)(=O)Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728952387 WONOWJFTVPVWQV-UHFFFAOYSA-N 446.533 0.638 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)COc1ccccc1O 730779192 WWFDGDDVGRYLOB-UHFFFAOYSA-N 433.486 0.992 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cccc(Br)c3)cnc2n(C)c1=O 742769016 IRVMNPPPTXBCRV-UHFFFAOYSA-N 432.234 0.470 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCn2nnc3ccccc3c2=O)cc1 743830411 UNSNKLITTDWEPN-UHFFFAOYSA-N 430.446 0.438 50 20 ICGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2=O)n(C)n1 745906749 UGZZBIZGBHCRPR-AWEZNQCLSA-N 438.448 0.369 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)Cc1cn2ccccc2n1 746702113 PRNGMOCYUGUGTM-UHFFFAOYSA-N 433.465 0.922 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 751201325 HPCRLVMXPWVUKP-LBPRGKRZSA-N 440.503 0.462 50 20 ICGD CC(C)Oc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 755277157 NDWPWCVFADXWMW-UHFFFAOYSA-N 434.522 0.957 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 755446900 SDCYSVHJQDGFLY-GFCCVEGCSA-N 446.961 0.572 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 755862531 RHTUIHJSAFPOAE-UHFFFAOYSA-N 442.432 0.338 50 20 ICGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc21 755962180 RJIHBWYHODYMQH-UHFFFAOYSA-N 437.499 0.943 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756523263 CSQWRDNHOWGULW-NSHDSACASA-N 432.524 0.351 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 756868505 VLCADYUJAQQWEY-NXCRSVRDSA-N 440.464 0.170 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 758038572 FPDJALOZQIKWSK-SECBINFHSA-N 436.412 0.531 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=C[C@@H]1C[C@@H]1C)c(=O)n2Cc1ccccc1 758364735 IBNBVUUGIIIMAD-RDJZCZTQSA-N 438.488 0.812 50 20 ICGD CC(C)(C)C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 761063939 OBPXZOMARRAPQD-UHFFFAOYSA-N 436.534 0.944 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2nccc(N3CCOCC3)n2)C1=O 762854684 GHYZGJYRUSBBQN-FQEVSTJZSA-N 443.439 0.363 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CCN3C)n1 762901727 BNCYEMQTMICGLU-UHFFFAOYSA-N 431.474 0.777 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 763571257 KXBNVXBGSTUVNB-MRXNPFEDSA-N 431.401 0.638 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 763736162 RZMQCXIMQIDARC-UHFFFAOYSA-N 430.509 0.664 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763866024 NBSBPPNVCMXSAE-SJKOYZFVSA-N 444.419 0.281 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)cn1C 763876521 GJXFAWUCUHERMO-CYBMUJFWSA-N 444.444 0.958 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)n1 763893272 STGAVVGOQLATKU-UHFFFAOYSA-N 427.421 0.556 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 763918905 KNDDISULVNHTJN-UHFFFAOYSA-N 434.449 0.595 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccoc2)c1 764164678 XZSRVNSCFYIURJ-JCMHNJIXSA-N 433.446 0.492 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 764398471 SFLMJBSEAUDJNA-UHFFFAOYSA-N 441.473 0.858 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)C(=O)NNc2nccnc2OC)c1OC 766260288 COEWIYNKODVXPZ-UHFFFAOYSA-N 427.421 0.829 50 20 ICGD Cc1nc(SCC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n[nH]1 766661667 YIBBCRFQJDFMNE-UHFFFAOYSA-N 437.957 0.824 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)n[nH]1 768273691 IWLNKFUDPFDAMW-LBPRGKRZSA-N 436.490 0.829 50 20 ICGD CN1C(=O)C[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@H]1c1ccc(Cl)cc1 768989474 XQVRUDMQCFNLIA-CZUORRHYSA-N 430.852 0.976 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)c2cccs2)s1 771980589 PMIOUWRRFJKTPI-UHFFFAOYSA-N 445.548 0.157 50 20 ICGD Cc1cn2c(=O)c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc2s1 775897087 VTFPGYZXJWLUAX-CQSZACIVSA-N 444.425 0.209 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 777940845 OODZUVIVOACKJI-UHFFFAOYSA-N 448.523 0.061 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)nc1 780965523 OXHCEEGYIGAXHG-HIFRSBDPSA-N 438.437 0.275 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 783998633 GKZIFJWLTOVOMT-UHFFFAOYSA-N 438.366 0.599 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3ccc(-n4ccnc4)nn3)C2=O)cc1 788180824 HGKSSRUDWNIMMB-HXUWFJFHSA-N 436.432 0.581 50 20 ICGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 788494308 XAOSBQJDHSNSFE-UHFFFAOYSA-N 426.838 0.148 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1cccc(S(=O)(=O)N2CCCC2)c1 790104758 UKXWNXDDMGOZCH-SFHVURJKSA-N 443.485 0.820 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 790950973 AEYHOGIAWAWGKV-CQSZACIVSA-N 445.476 0.878 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)[C@H]1CCS(=O)(=O)C1 792855069 NYHYJEWFCDBUFT-RDJZCZTQSA-N 433.534 0.907 50 20 ICGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 793415120 ITDARMXBBLYQFR-UHFFFAOYSA-N 431.467 0.454 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1Br 793448012 PSQAUINBDFTZON-QMMMGPOBSA-N 444.267 0.311 50 20 ICGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1F 797028955 WWWNKZDHEXTKGS-UHFFFAOYSA-N 445.382 0.967 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)CSc2ccccc2O)nc1 797652518 JRSWFTMEGVYZNH-UHFFFAOYSA-N 425.492 0.983 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1OC 799259110 SUFYZPZSXAFQOM-UHFFFAOYSA-N 442.428 0.849 50 20 ICGD CN(CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 802762818 MTYRBULSTQYTKB-UHFFFAOYSA-N 447.536 0.849 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNc1ccc(-n2ccnc2)nn1)C(F)(F)F 804977090 LVCFCNJDPMABTJ-OAHLLOKOSA-N 425.375 0.862 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)ccc1F 806973812 KOTVAQISPUNBIT-UHFFFAOYSA-N 428.829 0.787 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 807380204 CXXUCYGAAJCCRN-UHFFFAOYSA-N 442.501 0.849 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 808934568 LHNUOAVYHNDRDQ-LLVKDONJSA-N 439.881 0.355 50 20 ICGD Cc1nnc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 812485864 QXKFUAGKSMPMPG-UHFFFAOYSA-N 440.555 0.046 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 814194087 LURYLDXRYRESNR-OAHLLOKOSA-N 432.506 0.476 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)C3CCC3)ccc21 815569859 KFXVJSSLUIZZMR-UHFFFAOYSA-N 438.387 0.574 50 20 ICGD CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(F)c1 815691771 AUIBNKJJFDSQBB-GFCCVEGCSA-N 446.439 0.721 50 20 ICGD CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779575 LSVCXAPWIMWFGU-OAHLLOKOSA-N 436.465 0.855 50 20 ICGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 821119693 YGUBLEDIUGJGCJ-UHFFFAOYSA-N 428.536 0.975 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 871595617 BXTSTOLIUMSXSN-AWEZNQCLSA-N 434.518 0.949 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)Cn3nc(C)cc3C)CC2=O)cc(OC)c1OC 913898149 UNDZNQLQHKMWSC-AWEZNQCLSA-N 445.476 0.726 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCCN2c2ncccn2)cc1OC 914663963 OYSNSJRCYFHDCX-OAHLLOKOSA-N 443.460 0.857 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1 916161038 GMBILMQFYJDQCP-UHFFFAOYSA-N 438.506 0.383 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 916229210 UWOZIGAYNGFFME-QGZVFWFLSA-N 432.568 0.395 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 916234421 DXTRGBYKTSJZFZ-OKILXGFUSA-N 426.539 0.922 50 20 ICGD Cc1csc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 916573613 GPYPLIQWNSUXKG-UHFFFAOYSA-N 439.567 0.651 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@H]1CCCO1 919889675 RDZRCHZHKODYGH-AMNWKIMCSA-N 449.533 0.708 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1254184024 JAIUDIREOBBJRY-ACJLOTCBSA-N 443.547 0.854 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)[C@H](C)CN1CCOCC1 1317717913 SMKZQVCQVXHYOR-TZMCWYRMSA-N 431.946 0.623 50 20 ICGD CCCc1n[nH]cc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1320380182 LOLVPSSZWSMBQO-UHFFFAOYSA-N 448.549 0.438 50 20 ICGD C[C@@H]1CCCN(C(=O)CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1347312435 GEBONJIUKRZMNM-CQSZACIVSA-N 439.538 0.530 50 20 ICGD Cc1ccc([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1783312064 UKGIDJLWXVMJKE-UUOWRZLLSA-N 436.317 0.922 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3occc3c1O)CCO2 1783936045 BHJFOAXXBQGDII-JOCHJYFZSA-N 444.488 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCCCC3)[C@H]2C1 1786334793 ZPNWTHMPPHXOJE-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1792867752 GRNDZJRDKHRNLT-RKEKIRQTSA-N 445.383 0.634 50 20 ICGD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881091 OHNJWAJQDNTFMM-QRJUGERDSA-N 446.976 0.706 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)C1 1795113243 PYRZSWRSUPWWHO-QKDZRIPBSA-N 431.327 0.950 50 20 ICGD COc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1F 1796191162 GCOISAOUCCMZBT-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2ncncc2c1 1796191455 OBRLZQDTMPVVMG-ACDBMABISA-N 430.273 0.875 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307131 HEFLODGBDLQVJW-SSYGJKRZSA-N 431.356 0.386 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cnn(C)c1)C2 1796893009 GSFSXOZZVHGTKC-XTUBRDOVSA-N 425.493 0.735 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797867302 ANFYOQQWHHPWDJ-AFIMGQEJSA-N 449.584 0.036 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccnc2n1)c1ccc(B(O)O)cc1 1798011918 ZJOOWBVSHKKXEF-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1800759887 OHBKXCADIMLXRW-AMDHYVTDSA-N 429.267 0.790 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1C(F)(F)F)C2 1801011503 QOMLNTOGLOZHHN-DRXBFXEBSA-N 446.426 0.875 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801017378 SNNSRXPNZDKOHQ-BSTOTGJRSA-N 426.297 0.223 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802120693 OQTJUWSAYMTRTR-FQLMCAECSA-N 433.933 0.481 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1802272799 GJSAAJRBQISENX-VVSAWPALSA-N 438.912 0.885 50 20 ICGD CN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803939266 NFVKBOIXCWQCMK-SESVDKBCSA-N 436.321 0.175 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1 1804507100 GUTBYOMZWGHINO-PGRDOPGGSA-N 441.536 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)[C@H](F)Cl 1808308873 IWQFXNCJFHGUCM-CQDKDKBSSA-N 433.831 0.667 50 20 ICGD Cc1cnoc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811245202 HWOHRWNHMMUESM-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1813029963 BMCBGLHAASLFBZ-YCPHGPKFSA-N 448.844 0.066 50 20 ICGD CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813598172 IMVOHMBBMWPJPO-SIKLNZKXSA-N 438.337 0.421 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@]1(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348306 KLPBTJQCGRTSCN-FMTVUPSXSA-N 437.689 0.973 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822413286 RHFOKRHEDYHAGH-HNNXBMFYSA-N 446.512 0.831 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC(O)C2)CC1 1828923391 IDTGYUOLTYYDNU-LADRWXRNSA-N 429.521 0.689 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)nc1 1833600448 ZYRHQPJNVUHGRD-YOEHRIQHSA-N 449.888 0.090 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834626715 IANJYHXXBURRRE-AWEZNQCLSA-N 443.386 0.964 50 20 ICGD O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834897402 OBVJBSFYWRJKDR-OAHLLOKOSA-N 431.310 0.540 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Br)CC2)CC1 1835058325 MXJJQFYNIKMQMT-IUODEOHRSA-N 446.390 0.788 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1837805338 FXXNWZAJSBCKTD-GOSISDBHSA-N 431.961 0.571 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1837884271 FAGVNJZXIPHESI-KRWDZBQOSA-N 443.617 0.899 50 20 ICGD Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)c[nH]1 1837919292 CSMCYQACOSYVPK-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839073816 WNKSRCRODKUQDT-FZKQIMNGSA-N 437.896 0.890 50 20 ICGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199256 TWKNZPVFBVHIFX-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD COc1c(C)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1839393388 YVPINDQHPFNTBE-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4ncccc34)CCO2)C1 1839543239 LOTJGEBDLSWFCB-UTKZUKDTSA-N 448.907 0.954 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)c2N1 1839572993 DPTVYBQMKXCTAM-APWZRJJASA-N 425.844 0.786 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839962156 WBBFGTMAARLYCN-YEWWUXTCSA-N 445.310 0.943 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839962869 UESBXZMWQCSOOA-CXAGYDPISA-N 445.314 0.550 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1839965377 XBWITEYZXVLCFK-BDJLRTHQSA-N 431.287 0.359 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839965525 AYNYHNTZJJTFCA-BXWFABGCSA-N 446.386 0.958 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840030156 CAXPLBFOJAKICM-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840032453 YZQRFWGQNZXJPT-URLQWDBASA-N 441.322 0.960 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840154923 KNTKJFBACLZYOZ-FOIQADDNSA-N 440.928 0.233 50 20 ICGD O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1ccc[nH]1 1840186550 QIKQEZOFEVXVBK-GOSISDBHSA-N 447.319 0.395 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840611714 LAEPUKPRFYGIOW-JOCHJYFZSA-N 444.337 0.263 50 20 ICGD O=C(C[C@@H]1OCCc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847756664 NKXXFQBUAMWOJH-FKBYEOEOSA-N 434.301 0.886 50 20 ICGD O=C(CCn1cnc2sccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 10292541 STKIIIYDKWCLCN-UHFFFAOYSA-N 434.503 0.602 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc(OC)c1OC 14074837 SNEKFJXSVLFOMW-UHFFFAOYSA-N 428.401 0.177 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccco1)c(=O)n2Cc1ccccc1 14622514 POAMDHPABHRDTR-UHFFFAOYSA-N 436.428 0.482 50 20 ICGD COc1cc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1S(=O)(=O)C(F)F 728435380 ZOFPYQYUPDNIDR-SECBINFHSA-N 427.451 0.469 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 728959114 ZCYNHWRBBRMZET-UHFFFAOYSA-N 448.461 0.280 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 730032896 LSUHHUOFULEYRN-UHFFFAOYSA-N 438.531 0.852 50 20 ICGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 730205353 MMJMLCIVZYCLGD-CYBMUJFWSA-N 430.914 0.930 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 731403807 WPQMFXPNUWNUKK-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 731851834 TTWOWXGWJSNTQX-UHFFFAOYSA-N 433.494 0.249 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 732262435 SNUVONORPSWBCH-RYUDHWBXSA-N 441.872 0.625 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 740903954 XGJHVATWVOOMHU-STQMWFEESA-N 445.567 0.588 50 20 ICGD CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 741207235 KYFUWKBVZKSLHY-UHFFFAOYSA-N 437.927 0.823 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)cc1 742034466 NUUNAQSGHFZEDT-CQSZACIVSA-N 435.550 0.992 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCN1C(=O)COc2ccccc21 743579789 SXRDRVTZXDVBPO-UHFFFAOYSA-N 431.474 0.624 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 743828568 SQXZIMMZHQXGSB-CQSZACIVSA-N 436.494 0.071 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCOc2ccc(S(C)(=O)=O)cc2)c2ccccc2c1=O 746519994 PNCIVBIYGAGFIE-UHFFFAOYSA-N 444.469 0.567 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNC(=O)N1CCOCC1 746520016 QAOYTULDJMMQFD-UHFFFAOYSA-N 432.218 0.094 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 747394959 BYIYJGFIFGDNHU-UHFFFAOYSA-N 438.876 0.849 50 20 ICGD Cc1[nH]nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1[N+](=O)[O-] 749715616 OIPISFKAKONMLA-UHFFFAOYSA-N 436.450 0.876 50 20 ICGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 751280119 OVPUDBGUJSQKPB-UHFFFAOYSA-N 436.515 0.787 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1Br 753066604 OVHNPAYLDWRBTR-SNVBAGLBSA-N 449.327 0.683 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756658471 JTSWJCOZPHPDDA-ZDUSSCGKSA-N 434.428 0.501 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCC1CCN(S(C)(=O)=O)CC1 763487130 PCXIKYQKSZPZIQ-UHFFFAOYSA-N 435.547 0.293 50 20 ICGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763575448 VQGBJWMBTWEQIJ-QGZVFWFLSA-N 426.429 0.751 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1C 763679189 HXVZBLTZBPPRCK-UHFFFAOYSA-N 438.437 0.255 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cccc1C(N)=O 763729384 XZJDIHKVWQORDR-UHFFFAOYSA-N 425.445 0.333 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 763735899 UQGLLLOTPMFTBE-UHFFFAOYSA-N 438.481 0.775 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 763805096 RUIBMASMNOVZHZ-UHFFFAOYSA-N 443.372 0.716 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 763814182 QZHIERJHDWJXKI-UHFFFAOYSA-N 428.445 0.627 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)c1=O 763979608 ZKLIASJTRFHXHE-UHFFFAOYSA-N 443.641 0.907 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cn2)C[C@@H](C)O1 764169334 VEBPUPGRSSKMEE-LBTNJELSSA-N 439.472 0.785 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764271121 VNRWAPHZCNWTOU-CQSZACIVSA-N 447.517 0.628 50 20 ICGD CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764279223 ZCYIRCNOQSUPHP-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc2c1=O 764341982 BILUGUKWKPZMJB-UHFFFAOYSA-N 438.469 0.457 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 764401188 NRHOLEPTHXYDOH-UHFFFAOYSA-N 437.499 0.815 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1I 764430068 RQVMYBBFLAPSLA-LLVKDONJSA-N 433.202 0.101 50 20 ICGD COc1nccnc1NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 764482108 RWCBWKORPZQKNJ-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 766261408 YBUDHNYAJSKHMO-UHFFFAOYSA-N 436.494 0.904 50 20 ICGD C[C@@]1(NNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 767189761 NTIRPTZJOQHANT-GOSISDBHSA-N 429.974 0.843 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767366611 ILDJFBSJRLUXHR-UHFFFAOYSA-N 425.488 0.512 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1c(O)cccc1O 770390007 IVQOXGCSLNBHNP-UHFFFAOYSA-N 449.485 0.513 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 772069119 BJJULIFZZYTRRG-KYNGSXCRSA-N 445.516 0.876 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)cc(OC)c1OC 772632581 ZITBGUKQIHHAAU-OAHLLOKOSA-N 429.495 0.534 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c2ccccc2c1=O 774274308 DIAPFTYNSGOUBQ-MRXNPFEDSA-N 443.485 0.663 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)cc1 774324867 ANLOYZMQUPBRJP-CYBMUJFWSA-N 436.490 0.561 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 782888383 WTLSVBNCYBTIKR-UHFFFAOYSA-N 447.459 0.575 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 784003137 AIPFLTOOVMBDKF-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cc(C)on1)N1CCOCC1)c1cc(C)on1 790297200 MVOGNEVFWJWZMX-SFHVURJKSA-N 445.480 0.751 50 20 ICGD CC(=NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 793132389 UYUNFRIGZTVKOX-HNNXBMFYSA-N 448.505 0.524 50 20 ICGD O=C(COC(=O)c1ncccc1Br)NNC(=O)[C@@H]1COc2ccccc2O1 796098401 FQBWBQQEMNQFLR-ZDUSSCGKSA-N 436.218 0.988 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nc1 797653169 JRLBDYUTHHXNLD-UHFFFAOYSA-N 448.509 0.191 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 806980859 WRTYLBWBGKPNLF-UHFFFAOYSA-N 446.485 0.647 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 807370602 OKCMVLXOJUOEHV-JIIJFUIFSA-N 446.504 0.726 50 20 ICGD O=C(NN=Cc1ccccc1-n1cncn1)C(=O)NN=Cc1ccccc1-n1cncn1 814692339 RYGJSCCDIVEEIB-UHFFFAOYSA-N 428.416 0.448 50 20 ICGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(Cl)c1 815693315 SOGXBXRCWIOFFG-SNVBAGLBSA-N 434.840 0.375 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCCCC1 815779071 QFQRVWSLXWVXLZ-OAHLLOKOSA-N 438.506 0.435 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 871003823 CMFWYCRQORUTQP-NXKWAJLKSA-N 448.273 0.782 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(NNC(=O)CNC(C)=O)c([N+](=O)[O-])c2)cc1 912762602 AEDVHWUUTHOGPH-UHFFFAOYSA-N 437.434 0.983 50 20 ICGD Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 913181215 IENWNTSVKMWTQL-NSHDSACASA-N 443.938 0.903 50 20 ICGD Cn1c(=NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)sc2ccccc21 914456777 ZYCAQIJDMAESRX-UHFFFAOYSA-N 445.526 0.606 50 20 ICGD O=C(Cn1cc(Br)ccc1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 914865296 NQRJJEXMVOZOII-UHFFFAOYSA-N 432.234 0.963 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1c(C)n[nH]c1C)c(=O)n2Cc1ccccc1 915948469 TUQJBLBPDVLURN-UHFFFAOYSA-N 448.487 0.918 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 916110697 NZQGATCWMROIOR-UHFFFAOYSA-N 431.430 0.080 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 916645124 DXTAULBUSLJIDE-UHFFFAOYSA-N 431.474 0.387 50 20 ICGD CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)COc1ccccc1O 1318860727 ZUTXPWDTSVOROG-CYBMUJFWSA-N 436.490 0.912 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1320069667 BLTXVIWTUHWWON-PXAZEXFGSA-N 433.433 0.968 50 20 ICGD Nc1cnnc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1Cl 1326363136 JLIFREJFJPUTGL-UHFFFAOYSA-N 435.691 0.896 50 20 ICGD COC(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)n(-c2ccccc2)n1 1327718585 VLCBGTQIDMMFSS-GASCZTMLSA-N 429.477 0.919 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1nc(N)n[nH]1)C2 1779545471 PQYXESMGIZUJBK-AUUYWEPGSA-N 438.605 0.685 50 20 ICGD COc1cc(OC)c(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1780127708 FMYSJWKMJQBAAL-AUUYWEPGSA-N 430.860 0.886 50 20 ICGD CC1=NN(c2ccc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2)C(=O)C1 1780794716 XSECPGLXLNGMGY-UWJYYQICSA-N 448.907 0.842 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCC(F)(F)C1 1783454296 OVBFRRHFHHEHGO-FZCLSBEQSA-N 436.264 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3nccc-3c1)CCO2 1783935333 SOXKVDPVMJAXSE-NRFANRHFSA-N 428.493 0.331 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)nn1C 1784241143 IEYSGJAZWSTKME-ATVPRXPUSA-N 431.306 0.941 50 20 ICGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cs1 1785295306 IGGWJENMJKKNBB-XIRDDKMYSA-N 437.566 0.347 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430373 JWYUIEVKZAOQAC-JKFAMXTESA-N 433.292 0.717 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507056 VVFBREVGYHQOAP-BMBVIKESSA-N 447.536 0.507 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508178 MUSNBOSNROFJLT-RUUNMTHFSA-N 445.520 0.715 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788742374 GLZIMNCGCKJEIW-MCZMQQNQSA-N 436.322 0.961 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788778936 WHZMTWXISCKMDA-QMHWVQJVSA-N 448.358 0.291 50 20 ICGD Cc1ccc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789487863 XTSAFNXYXKWMCY-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1792870186 LCSQFQPPDRWFRS-FMSGJZPZSA-N 439.310 0.415 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CC(c2ccccc2)=NN1 1796190315 NJFGRXUDBXIWMX-IIZPIQPGSA-N 446.316 0.384 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1csc(Br)n1 1796690253 BZOKUSVZVLCMKI-JZSSXWJLSA-N 438.731 0.709 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(F)c1 1797753009 QHHQPQWVYSDZHB-HBCWATKFSA-N 441.463 0.650 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800642646 UNLOBLWHPBPSDR-SIRPWMCASA-N 445.402 0.385 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1800978671 HMTVIZHSEMCQDI-UKBAYJJMSA-N 440.924 0.905 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1cccnc1)C2 1801012131 HCNXCSOGYVCFEO-OPMZPASUSA-N 431.537 0.367 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803436006 CHQJSJLUXSPKLY-QLVMHMETSA-N 446.552 0.375 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1807117041 CFBXJAVOVLOOCH-AEGPPILISA-N 441.305 0.618 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362224 FRGLEWINBNADRG-UWJYYQICSA-N 447.256 0.348 50 20 ICGD CC(C)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364468 QKRXAGFGXAXRSZ-UGKGYDQZSA-N 438.337 0.469 50 20 ICGD O=C(Cc1cccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807620067 VLLKCPIDCCWZQY-NFBKMPQASA-N 444.300 0.719 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1807879609 AKTDKVCILLQKQO-WNHJNPCNSA-N 437.972 0.323 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1813072275 DIKXBVSAEHQIBQ-QRWLVFNGSA-N 444.492 0.255 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817475869 XGTJOTJLXONUFU-VQIMIIECSA-N 438.249 0.722 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822377743 YXSYHNKPFUPMBM-ZYHUDNBSSA-N 429.861 0.199 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083081 JPJLNVGCNQYSJE-XWCIJXRUSA-N 425.555 0.835 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826841567 YILSOLBVNWBBOG-ZLGUVYLKSA-N 429.370 0.973 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1830735242 DURULFLRXWREKQ-NNMXDRDESA-N 436.936 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425069 BNLFZZMRVXWHFR-JXFKEZNVSA-N 445.944 0.099 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)CC1 1833586317 VGMCPYCOJKAWGQ-SFHVURJKSA-N 438.956 0.824 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834030864 DESQXLTXWAIMNQ-WMLDXEAASA-N 427.299 0.720 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n(C)n1 1834190371 RKGXFPUHABDSRM-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835626184 GIQNWFIAVMYPJK-SFHVURJKSA-N 426.546 0.487 50 20 ICGD N[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1835836740 UYKBYXOQSDOHFO-KSSFIOAISA-N 431.320 0.732 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835997520 PSZAIKQXLWWPME-FQEVSTJZSA-N 437.569 0.156 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837485777 PTEHNIRSMVZUTI-PXAZEXFGSA-N 432.308 0.537 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150926 CHBMIHGDCYLCPM-ROUUACIJSA-N 447.319 0.792 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839965575 DAWAOWSAKZNKFZ-GUYCJALGSA-N 443.298 0.426 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182515 LAQKSJSOUWURSA-QFIPXVFZSA-N 436.553 0.584 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187725 SGJWOSPLUCQKSV-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187801 XOPGUBDMWIPAFF-KBXCAEBGSA-N 431.320 0.212 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130978 IQENESNIOQWKEE-SECBINFHSA-N 431.312 0.439 50 20 ICGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 16594189 LWVMBBLABBGHRB-UHFFFAOYSA-N 426.524 0.231 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 726243963 RIBCGJYAQWSYSB-UHFFFAOYSA-N 429.433 0.012 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 728177527 AUEOGEXJFYSEGG-GOEBONIOSA-N 447.554 0.719 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H](C)O1 732261415 MUWFHGAMMJPXMI-RYUDHWBXSA-N 432.930 0.972 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)CC1 734824517 AZXUCPNIMXPCGI-GOSISDBHSA-N 427.527 0.782 50 20 ICGD O=C(COC(=O)c1ccccc1SCCO)NNC(=O)[C@H]1COc2ccccc2O1 740969263 VMIOIOCJJCJWPO-MRXNPFEDSA-N 432.454 0.915 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 746016211 VBMULLMWQGMAFQ-UHFFFAOYSA-N 442.472 0.836 50 20 ICGD O=C(CCCCC(=O)NN=Cc1cnc2cnccn12)NN=Cc1cnc2cnccn12 746366835 RNNJSWBURBDNNX-UHFFFAOYSA-N 432.448 0.933 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746757291 VDKWANDLOSXBPX-ZDUSSCGKSA-N 430.490 0.877 50 20 ICGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206945 OMWUZJFAPJMJKA-YUNKPMOVSA-N 433.465 0.294 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 755286095 JXAGRVVFNUMDTO-OAHLLOKOSA-N 436.450 0.251 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cccc(OC(F)F)c2)c1=O 757780028 FDSGEWAGGVYSAL-UHFFFAOYSA-N 444.416 0.961 50 20 ICGD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758031252 VRMLCLJXVICBBW-JLZSUIFSSA-N 442.582 0.429 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)co1 759380088 UYJFEIOAGVLAST-UHFFFAOYSA-N 442.453 0.932 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3F)cc21 763568974 RKQMGEKGMHAGHY-UHFFFAOYSA-N 429.408 0.695 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)Nc1cccnc1N1CCOCC1 763606306 YEXZXLLOWFATJB-UHFFFAOYSA-N 435.444 0.708 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 763717875 BLWBGJNMAWJWBN-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718881 QCMHOEGWRHKKGO-UHFFFAOYSA-N 449.445 0.553 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)cc1 763823460 CCZGVZJEYDFCAB-MRXNPFEDSA-N 425.445 0.016 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 763992424 DKYGPRQFLOOZNL-SFHVURJKSA-N 439.472 0.593 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1-n1cccn1 764002645 OZNATYXJODMWHF-SNVBAGLBSA-N 425.854 0.046 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 764320169 WENPFYPDSRLMLC-OKILXGFUSA-N 440.522 0.476 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)cc2C1=O 764383030 UZDMNXTZLRISOW-UHFFFAOYSA-N 438.425 0.764 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 764436030 ZAEIAGOFTZDPQJ-SFHVURJKSA-N 443.412 0.496 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3ccc(O)cc3)CC2)cc1 765753968 HGZBZRMWYRPQLR-UHFFFAOYSA-N 439.516 0.396 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 766261243 QFXMLITVDZPQHY-UHFFFAOYSA-N 443.869 0.644 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768238814 FXJPKNIIYWMGFA-UHFFFAOYSA-N 435.444 0.877 50 20 ICGD CCNC(=O)N(C)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 768411786 ADZNIUXMQIFSGZ-UHFFFAOYSA-N 449.327 0.776 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775459854 GZKGOMANVJDNMW-XJKSGUPXSA-N 444.492 0.557 50 20 ICGD COc1ccnc(NNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)n1 775600545 ICGFJCRFEOZFET-UHFFFAOYSA-N 435.510 0.960 50 20 ICGD COc1c(F)cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 777596364 RUWCFJAMQNCXKH-AWEZNQCLSA-N 427.366 0.892 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 780362920 KCUKWQKCSUYKRA-UHFFFAOYSA-N 428.448 0.468 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 784836439 XSBPGUNCAMOBDB-UHFFFAOYSA-N 444.420 0.629 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785059894 CYJTWICYOQBZAL-UHFFFAOYSA-N 438.444 0.178 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 786675196 GMZNWNYHWHERQZ-QMDZLVRISA-N 425.441 0.900 50 20 ICGD O=C(COC(=O)CCn1cnc2ccccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792689784 BRDUGJUABTUOLA-UHFFFAOYSA-N 439.384 0.699 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)n1 796541106 MUWANVNHYAUIQG-HUUCEWRRSA-N 439.538 0.511 50 20 ICGD C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368500 BOJKYZHQTMVSDS-AWEZNQCLSA-N 439.428 0.990 50 20 ICGD C[C@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCS(=O)(=O)C1 802434649 OXZORFRBHVAMDX-AWEZNQCLSA-N 442.922 0.138 50 20 ICGD O=C(COc1cc(F)cc(F)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 810592744 PMXJSLWXVXHLEQ-UHFFFAOYSA-N 432.427 0.949 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033886 PTVDYSVSOGLMCY-UHFFFAOYSA-N 434.474 0.734 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)nc(N2CCCC2)n1 813857506 WEUCRFWWVTXRPI-UHFFFAOYSA-N 446.537 0.823 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 849207785 RGBZHVRPVXITMZ-CYBMUJFWSA-N 430.373 0.541 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nnc2n1CCCCC2 914531255 IFXGPPPQTAWNDD-UHFFFAOYSA-N 434.526 0.750 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c2ccccc2c1=O 1317934741 RFOOIPHZBKYQMZ-UHFFFAOYSA-N 443.485 0.622 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 1318335234 ACSKUUHVXVVSSR-UHFFFAOYSA-N 432.506 0.455 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnc2s1 1777986853 AOEMYRAVRJFUFK-SCLBCKFNSA-N 440.909 0.108 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779348978 ODRSYJSFJSZNEC-YJYMSZOUSA-N 426.901 0.622 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccncc3Cl)C2)C1 1779467910 DGQFWOSMGVHOOO-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD CC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095228 KWCNXZOTJOGBFF-OXJNMPFZSA-N 435.433 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783409296 HSCJFCBBTMKQKH-YKSBVNFPSA-N 442.560 0.994 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)N(C)C(=O)OC(C)(C)C 1784092001 CCNKXNRKWWIVAT-CWVYHPPDSA-N 447.960 0.821 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)s1 1788610632 NLSXDTVZGJTXFO-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957050 JPYIGDHVFPBBGW-OEYIWLLWSA-N 439.310 0.184 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(S(C)(=O)=O)c1 1794626447 PXLUTMHFCBYMSG-FQLMCAECSA-N 429.926 0.991 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191355 CDQQMVYFCCNENH-YRPNKDGESA-N 449.316 0.881 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)ccn1C)C2 1796891643 CFGKGAXEKXDBNU-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccncc2)[nH]n1)c1cccc(B(O)O)c1 1798824747 BNQYNFCMMATCHK-REPLKXPHSA-N 445.288 0.717 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl)N1CCN(C)CC1 1799276460 LUXCBNUVRQHIMQ-FDQIELQPSA-N 435.396 0.448 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799354508 SLMYWOQZZHOCGF-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800231221 KPUDCINSVULITO-SVNGYHJRSA-N 425.251 0.828 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@@H](F)Br)[C@H]2c2cccnc2)O1 1803648119 MJAAPFNJXYMABT-ZDEQEGDKSA-N 429.246 0.886 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779769 MOKGEPMGZCPHAJ-NQIIRXRSSA-N 446.272 0.028 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1805406401 ZQQGOIBQAMJFGS-GJZGRUSLSA-N 447.960 0.703 50 20 ICGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@@H]1c1cccnc1)C(=O)O 1806340627 IFYSVVJEKREUQW-VBQJREDUSA-N 441.326 0.935 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360689 UAWYPDJHROHPER-PBEJRMEISA-N 435.289 0.119 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(F)(F)Cl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374400 KEKCIRAKJUYGBU-ZBFHGGJFSA-N 437.639 0.913 50 20 ICGD CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)COC1 1810295828 YCXQXHYAQMQUIG-MAUKXSAKSA-N 438.488 0.436 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)no1 1810372398 FWXDXNGITFHUQL-ZVZYQTTQSA-N 449.895 0.414 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067619 AXUZGNBZJLXWLX-PXNSSMCTSA-N 446.552 0.375 50 20 ICGD CCc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815361072 VZJFJTJOROGXBA-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817235810 NIIKZYHPANVSTG-CYBMUJFWSA-N 447.505 0.978 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cnnn1 1822416816 QGORDLXDIJCFBG-OCCSQVGLSA-N 432.489 0.023 50 20 ICGD Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cnn1C 1826080481 MZDDBZWIJICPDD-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(O)[nH]2)CC1 1828924165 KGTXIBVHLZYOSP-KRWDZBQOSA-N 441.492 0.661 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)cn1 1830538068 VCNIFDTZIDFMOD-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738771 SJIOGVQNXVMNOS-QMTMVMCOSA-N 443.953 0.618 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831179997 CNDQGMBRNVYZOR-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1833591269 YSSYPEGQVDYVLL-SCLBCKFNSA-N 449.335 0.306 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1F 1834819468 SUEPPLSHDXXMON-KRWDZBQOSA-N 447.305 0.723 50 20 ICGD Cc1n[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836154692 QFKHADBSNOHYBL-UHFFFAOYSA-N 433.557 0.276 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198745 ARQHYZPGTOBJBJ-SMDDNHRTSA-N 441.323 0.150 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839965606 FINKDDQXJGRRNM-SJCJKPOMSA-N 443.298 0.013 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840033998 WVZQRNRXVJBOES-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccn1 1840504547 OFIXGACPKWTGBI-VGOFRKELSA-N 447.536 0.015 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840884920 CEELBGXDDQRSCI-FQEVSTJZSA-N 444.601 0.884 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350631 OPFCMQUQFPICST-IHRRRGAJSA-N 431.917 0.160 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cc1N(C)C 1845115453 CKCODTIBWKPWIJ-UHFFFAOYSA-N 431.537 0.951 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)cc21 1847566352 XRRISNOEDBPLBT-XYJFISCASA-N 443.891 0.912 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848065927 NCEVWNKZBFPAPR-FKBYEOEOSA-N 433.317 0.239 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)n1cnnn1 1848098799 ZQQDHCCLPIAKFK-RFGFWPKPSA-N 441.920 0.568 50 20 ICGD CN1CCN(CCCNC(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H](c2ccccc2)C1 725871549 NDDGPAKDZQJOBI-GOSISDBHSA-N 442.520 0.719 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)COc1ccc(Br)cc1 729167195 IWBGVWKLGKIBPR-UHFFFAOYSA-N 434.250 0.862 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 729836104 MTXNFYUZHNMPRK-SSDOTTSWSA-N 432.307 0.682 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1cccc(C(F)(F)F)c1 730021899 QXIDLUSXEPOBRL-UHFFFAOYSA-N 434.338 0.970 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CCC1 732141437 QSXOCVFGODUHCU-QSOAKEGCSA-N 443.547 0.328 50 20 ICGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1 732281721 AQJWPQUVYXVACJ-CQSZACIVSA-N 433.509 0.975 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 737636507 NPWWSHVITDTTBU-UHFFFAOYSA-N 432.502 0.847 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 740851885 ZZSOUONFWPYMKE-QJWNTBNXSA-N 443.504 0.242 50 20 ICGD C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 743341978 XIIGRBQBSJGQGI-JTQLQIEISA-N 426.417 0.848 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 744501645 QEFCGDFAZCTFKK-UHFFFAOYSA-N 431.408 0.832 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)cnc2n(C)c1=O 748340254 CGTZQCVKCCUQKG-UHFFFAOYSA-N 444.455 0.730 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1cc2ccccc2o1 749474491 VKBYTVSXDBWIRH-UHFFFAOYSA-N 430.398 0.449 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)N(C)C 753033979 BLBFSONXOWINMW-LLVKDONJSA-N 439.519 0.970 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccc(C#N)cc3)C2)nc1 753278815 HUYZVUJXMWCGKS-UHFFFAOYSA-N 438.444 0.728 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 756208330 ZUSUOGKBYLTRQN-SFHVURJKSA-N 439.476 0.956 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc(C#N)c3)cn2)C[C@@H](C)O1 756840252 UXBGGCNPSUJNSI-ZIAGYGMSSA-N 425.449 0.857 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc(SCc2ccccc2)ns1 757696959 SHGYNXSJQBYEHH-VIFPVBQESA-N 430.537 0.921 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758535336 NVLXDVTVAVWFLL-HNNXBMFYSA-N 430.324 0.791 50 20 ICGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNc1ncccn1 760106172 DEMYEBNICQYLBW-LLVKDONJSA-N 446.411 0.551 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1 763488895 QSIIWWGWXQRSLP-UHFFFAOYSA-N 433.490 0.902 50 20 ICGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1F 763532347 WHMKBKKOYGMSIB-UHFFFAOYSA-N 438.463 0.996 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 763661391 ORTUMGKVVCFOCW-UHFFFAOYSA-N 426.429 0.769 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnc1Cl 763718079 GZLISILISUYYJR-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD CC(C)Oc1ncccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763719342 WZANWTPULIUFOE-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(F)c2)c1 763719379 XTBRCEDCBYVBLP-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c2ccccc2O1 763808629 DKJDBQFPSUQMEZ-QGZVFWFLSA-N 427.413 0.488 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763864991 MVRJGUYJJNYVGY-ZDUSSCGKSA-N 445.451 0.879 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763937115 XGHKRJVNXRYNNU-CQSZACIVSA-N 442.859 0.874 50 20 ICGD Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001055 ZPIPLGOMOUQXEB-LSDHHAIUSA-N 436.534 0.894 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)c1cnccn1 764032296 QPPAFDHWEYTANM-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD CCc1c(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cnn1CC(C)C 764077717 MJXJPXXCKQFXII-UHFFFAOYSA-N 435.506 0.905 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 764177140 KETZOJLRXQHOAZ-UHFFFAOYSA-N 441.469 0.742 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764342876 JGPANANSQCXNMX-KRWDZBQOSA-N 445.501 0.121 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 765461530 ALTLLMWIJCVZMM-GFCCVEGCSA-N 431.490 0.477 50 20 ICGD Cc1cc2ncc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c(C)n2n1 765733690 PPPOOMMCYDCUCW-UHFFFAOYSA-N 435.488 0.565 50 20 ICGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733875 RYUNLDRHDPRQHY-QGZVFWFLSA-N 435.484 0.931 50 20 ICGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739341 UJAOKGMHRMLZQV-OAHLLOKOSA-N 427.461 0.003 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 766548494 DGRCOGFEGBNRNP-UHFFFAOYSA-N 435.384 0.737 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 768177540 YWINOSUTFSNCNW-AGUYFDCRSA-N 438.525 0.901 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1F)NC(=O)CC2 768229151 ABOCIVGKLPKUNP-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)nc21 770972067 PMFRPJGCNSLWIB-ZDUSSCGKSA-N 425.449 0.830 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2cnc3ccccc3n2)ccc1S(=O)(=O)N(C)C 773719201 SDPCCGIGVDQWFZ-UHFFFAOYSA-N 444.473 0.971 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 783426619 ICJIYMDIXUMNHG-VLXJIEOASA-N 442.513 0.576 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 784002679 JHVBFLZUISHNQB-UHFFFAOYSA-N 432.824 0.631 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc(OC)c1OC 786683674 RZOJVQODXHMRQB-UHFFFAOYSA-N 429.433 0.118 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])n2)CC1 787540993 HZPGUARKKJHNFC-UHFFFAOYSA-N 445.436 0.223 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3ccccc3S(N)(=O)=O)C2=O)cc1 788231349 DUKXZYSZQZILDX-IBGZPJMESA-N 447.473 0.253 50 20 ICGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 789584871 SMZHFDVYBXESRU-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD COC(=O)Cc1cccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 792407700 UKVZWSNNIDJGKA-UHFFFAOYSA-N 449.489 0.579 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@H](C)C[C@H]2C(=O)NNC(=O)c2cccc(C)n2)n1 794086658 VGVZWHYHPASVKO-DVSIDAKKSA-N 438.488 0.978 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 794576521 LCZLPEHPUBLGMB-LBPRGKRZSA-N 443.503 0.661 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)c3ccoc3)cc21 800623488 PXSHKYCPBZXVCA-UHFFFAOYSA-N 440.460 0.860 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 801112239 ZDAZKLIIOQOCOG-UHFFFAOYSA-N 447.517 0.908 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 801798419 VEEKYNHUILDEPN-KSSFIOAISA-N 448.501 0.914 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1ccc(-n2ccnc2)nn1 807409141 FEJJNINSHFYESF-UHFFFAOYSA-N 445.461 0.245 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 814102843 QYLINZWBWJLIOJ-UHFFFAOYSA-N 428.186 0.871 50 20 ICGD CC(=NNC(=O)c1nnc(O)c2ccccc12)c1ccc(S(=O)(=O)CC(N)=O)cc1 814739737 BXQUCUOHWDQHIC-UHFFFAOYSA-N 427.442 0.748 50 20 ICGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 815734749 XXFJSMWLGIDSEP-GASCZTMLSA-N 448.501 0.102 50 20 ICGD CCOCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916374458 CXIQKXPYLYCSCO-UHFFFAOYSA-N 428.511 0.007 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)[C@H]2C1 1327109145 ZEFPLZMYLXUPFN-BZSNNMDCSA-N 429.525 0.670 50 20 ICGD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779031012 LTEGDECKHQSLTN-HSZRJFAPSA-N 437.500 0.680 50 20 ICGD C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1781253869 YBAZCGVSDBCHDY-XTVULVGKSA-N 432.427 0.836 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1781399844 FVNNKRBUXROXFK-AHBLATNWSA-N 446.508 0.751 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781469824 NSRCXJRKMUOSOR-JXXFODFXSA-N 440.928 0.883 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1782866609 FHBPSMQPKBHZIK-YKLWOSKRSA-N 444.438 0.838 50 20 ICGD CCc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984249 VDEASJMRMUNUJY-IEZWGBDMSA-N 441.293 0.132 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611417 ZZNGZEBFYYZJPO-USJZOSNVSA-N 433.509 0.092 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293105 JBTVZTSKUIDTNT-XQLPTFJDSA-N 447.374 0.513 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1792868847 RWIFLCLUQKPFLU-XPCVCDNBSA-N 426.311 0.620 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1792873999 IKOPFEKQVGLZIO-NNXHMXCWSA-N 445.402 0.243 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCC1(F)F)C2)c1ccc(B(O)O)cc1 1795732715 CMTHKMCFNHZXRF-MVJTYMMSSA-N 436.264 0.395 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(Cl)cnc1O 1796189604 HGUGZTBQEWZLGV-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398696 GQBKWRWNLGUCSI-BPKGMFCQSA-N 439.354 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccn2cn1 1797656364 VZUAPSNTLPYQQJ-RBVVOMGSSA-N 433.472 0.898 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCSC1)C2 1797754084 LSLSAFIDIFFQNJ-VWPFQQQWSA-N 433.534 0.032 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2 1801011691 VRUSTIHNXBQCOG-HBCWATKFSA-N 428.493 0.139 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801014191 KDDJKAAQOVIRES-USZNOCQGSA-N 440.324 0.265 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801428508 KSPOECRXWHBXIG-REGYPHIPSA-N 426.278 0.041 50 20 ICGD CN1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)NC(=O)NCc2ccccc2)C3)C1 1803310667 RQJTUSWCLCLQGV-ACDBMABISA-N 442.564 0.532 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2F)[C@H]1c1cccnc1 1803972952 UCTPSMFEZQICMQ-UNQWWWNPSA-N 426.452 0.758 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3[nH]nc4ccncc34)C2)CC1 1810659106 MKVXONVDCICXEG-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1813031326 LPPOJYKRBHDNFV-KEYYUXOJSA-N 446.895 0.544 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1813073420 MJGYQYUTSQETHU-KXBFYZLASA-N 441.492 0.270 50 20 ICGD Cc1nccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819950321 XGSPXSIIJVYEHG-KRWDZBQOSA-N 434.265 0.808 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1820723601 ONCOCXHZBXHNFS-VQIMIIECSA-N 439.325 0.737 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1C[C@H]2CC[C@@H]1O2 1822211332 FBYUDRRZTNJCLO-FPAYPSAMSA-N 438.293 0.963 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822589952 RDNFMCQMTPUYIV-RDJZCZTQSA-N 442.350 0.533 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822589954 RDNFMCQMTPUYIV-WBVHZDCISA-N 442.350 0.533 50 20 ICGD COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1825769280 XIGNLKFDVGIUDC-OCCSQVGLSA-N 449.957 0.725 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1826004640 PVQLLJNRDVIEAF-MNOVXSKESA-N 425.898 0.566 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1829762432 KEKCUZZDXXOLIB-KKHYBRAUSA-N 427.929 0.566 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831179341 VDUPQLPADDVGJX-SJLPKXTDSA-N 433.557 0.832 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831647839 ZGSOAXPEDUNHLB-FOIQADDNSA-N 441.912 0.873 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832930653 JXTDFNCGUDKMTC-GUYCJALGSA-N 445.314 0.550 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3[nH]nc4ccncc34)CC2)CC1)[C@H](O)CCl 1833310215 CXQXQPREFYRAPA-QGZVFWFLSA-N 434.928 0.743 50 20 ICGD O=C(/C=C/C1CC1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833323775 KXNYCWCTBNVWCZ-FPYGCLRLSA-N 425.338 0.518 50 20 ICGD O=C(Cn1nnc2ccccc21)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833651327 ZFZZAGKWHBXWRH-IBGZPJMESA-N 448.955 0.603 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834822175 BRIIEFSOGIVICB-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1835531922 LZXYGEQVFQHZFJ-CZPMCIAXSA-N 448.470 0.923 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835993161 OCMCNVIQEDPREM-SFHVURJKSA-N 442.310 0.090 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993930 NCORDSMMDYYQGJ-OXQOHEQNSA-N 425.913 0.712 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)CCN1 1836414653 WFMFDYAZXFBWBB-WBMJQRKESA-N 447.349 0.775 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837114018 XQCJCGFKVBEPGZ-UZLBHIALSA-N 436.896 0.658 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n[nH]1 1837585297 OALWCQOMBRMSRJ-QGZVFWFLSA-N 429.315 0.502 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648626 OZTPFHFUAWWLPB-ZQIUZPCESA-N 444.330 0.154 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799203 WSTLFVWHAFQTJE-BONVTDFDSA-N 446.258 0.171 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838333978 ZEZWRMVOMQQDIJ-QGZVFWFLSA-N 428.283 0.175 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc4cnccc34)CCO2)C1 1838466695 MZQHMHCNJMDKBP-GHTZIAJQSA-N 448.907 0.954 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)nc2nccn12 1839549809 LLAUUCGVDUWXQY-SFHVURJKSA-N 442.303 0.911 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1840930149 XNEYKGXMYTXAKJ-XLIONFOSSA-N 431.961 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc(-n3cncn3)c1)C2 1844265064 RFKTVVWQCNSSGS-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1846410188 FEYUINMJIXCBRN-ORAYPTAESA-N 431.917 0.161 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCNC(=O)C1 1848098515 IZWCCKBFWYSLRP-QPSCCSFWSA-N 442.944 0.847 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 11593922 ARUCFBKDABQMBZ-UHFFFAOYSA-N 440.503 0.383 50 20 ICGD Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 13028228 MUPXYWDSMMKQLW-UHFFFAOYSA-N 441.487 0.567 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 15639435 BYTPHZLDLPVMIE-HNNXBMFYSA-N 443.547 0.447 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 23567703 NIIRTWWYNBJUKF-QMMMGPOBSA-N 429.202 0.053 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2sc(S(N)(=O)=O)cc2C)n1 728731604 SGSHFWLGRTYXMP-UHFFFAOYSA-N 432.505 0.016 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 730102402 ASPVKAIVBMBGDO-UHFFFAOYSA-N 442.295 0.617 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2F)CC1 730134072 MBXUFSUGURHNOM-LJQANCHMSA-N 427.546 0.849 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1nc(-c2ccccc2)no1 732112831 GTPRSWZATZSYNY-UHFFFAOYSA-N 430.402 0.435 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)nc2c1c(=O)n(C)c(=O)n2C 737553778 OEBFUCLVEKIGMH-UHFFFAOYSA-N 433.428 0.201 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccccn3)c(Br)cc21 741647492 JEXFBTWLQOPCAI-UHFFFAOYSA-N 440.279 0.658 50 20 ICGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 742036964 RYLVCFASFKZXLA-SECBINFHSA-N 427.914 0.978 50 20 ICGD Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 742037267 VQHDMJSPNWGXJF-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746164108 SOGFEOHIZFPLRD-QJPTWQEYSA-N 434.515 0.264 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 747323984 VZBHQDFRTAOPNL-MRXNPFEDSA-N 433.446 0.533 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747438095 OTFWYTFOILEXCA-UHFFFAOYSA-N 426.520 0.998 50 20 ICGD Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747610029 ZUCGZYOFMCDHMV-VIFPVBQESA-N 425.872 0.026 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)o1 753563561 PMPKRLHAHVAZNF-UHFFFAOYSA-N 449.533 0.302 50 20 ICGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 755085022 QPFDUJHJNIAMHM-WTTBSCSTSA-N 436.266 0.528 50 20 ICGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 757796911 NTLLIXMFQHAXQN-KSSFIOAISA-N 435.550 0.898 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 759642152 BZOPPEMYSALUTL-HNNXBMFYSA-N 449.460 0.822 50 20 ICGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 760127259 OAKIEYRJXMUTOY-IRXDYDNUSA-N 440.522 0.609 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 760750682 LYUFTXBRQAIQJQ-TZMCWYRMSA-N 439.469 0.364 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 763492492 ZSMHMXPUBJLKHV-SFHVURJKSA-N 437.456 0.649 50 20 ICGD COCCOCc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574557 DONCRNISOWYPKM-GOSISDBHSA-N 429.429 0.776 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1C 763753113 FQOIDSDOSIVRDE-UHFFFAOYSA-N 433.490 0.369 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 763753176 GHBMKZQTSZAURH-UHFFFAOYSA-N 433.490 0.548 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)C(=O)N1 763780725 DYIJVXNFMZWRJT-ZDUSSCGKSA-N 440.481 0.842 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)cc1 763860463 HGUOAGSTMGBFKU-CYBMUJFWSA-N 439.432 0.614 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2OC)cc1 764010860 DMQKAZQIVPIQNZ-UHFFFAOYSA-N 440.865 0.656 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 764244467 ITOIHANEJASLQC-UHFFFAOYSA-N 426.454 0.757 50 20 ICGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 764328183 CAYQXSZQWSQWCU-SFHVURJKSA-N 428.493 0.495 50 20 ICGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)c2cnn(C)c2)CC1 764359294 OUIGVHZSDKJNNV-UHFFFAOYSA-N 433.900 0.615 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764366654 DGMPOZXBGHFHEB-UHFFFAOYSA-N 427.461 0.489 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 764396698 AMHPFKHXIBKASI-SECBINFHSA-N 445.354 0.893 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764398627 IHFUCNKFIKOABB-VIFPVBQESA-N 446.254 0.358 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Nc3cccnc3)CC2)cc1 765312456 FNMRKXCEEIEVLX-UHFFFAOYSA-N 432.506 0.549 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 766264253 GDBJZOMQYDJNLQ-BETUJISGSA-N 428.449 0.816 50 20 ICGD COc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 769604711 REWLTKYWXOQLNE-OAHLLOKOSA-N 431.357 0.748 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nccnc3c2)CC1 770409250 ZWTJJCKHVJGNMQ-UHFFFAOYSA-N 427.490 0.718 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 772349694 ZXAZTEBRZRGRMS-UHFFFAOYSA-N 438.444 0.432 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 779506550 YHGIDFRYYZPBMT-ZETCQYMHSA-N 439.288 0.557 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNc1ccc(-n2cccn2)nn1 783433169 MJCUOBRAZZNLRS-UHFFFAOYSA-N 433.436 0.979 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNc2nccn(C)c2=O)c1 785090134 OAXWPVBYNCPUTD-UHFFFAOYSA-N 443.201 0.475 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1=O 785650881 GCOZNRSDIXQUKF-RBUKOAKNSA-N 444.532 0.561 50 20 ICGD CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cccc21 789734711 NGZSKRFCDXZIFD-HNNXBMFYSA-N 428.445 0.942 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)O)cc1 792454123 HREALCWQASXATF-BLLLJJGKSA-N 436.446 0.392 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 792789681 MMARDMZKSCMFGI-LJQANCHMSA-N 434.449 0.080 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cccc2cccnc12 793291173 NMZMYADWIYNYLZ-FQEVSTJZSA-N 425.445 0.611 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 794077420 OQXDTEIZCGDXGE-BBRMVZONSA-N 438.893 0.629 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(N(C)C)n1 797368984 KYLWTEKZVNMKFK-UHFFFAOYSA-N 428.449 0.468 50 20 ICGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 799260923 FLPFWAJGVWGASF-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD CN(C)Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 799262060 KFPATQHVFLYOEB-UHFFFAOYSA-N 437.909 0.979 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(NCC3CC3)nc2)CC1 800691465 WDLVVMOQZYCVSX-UHFFFAOYSA-N 445.549 0.992 50 20 ICGD COc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1C 802356653 HZFIALLJUTYPOY-AWEZNQCLSA-N 426.433 0.861 50 20 ICGD Cc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nnn1Cc1ccncc1 803038560 VBNAPAIJQZIEJK-UHFFFAOYSA-N 443.327 0.470 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccccc1F)C(F)(F)F 804867799 LEIADTRRRMXWGW-LLVKDONJSA-N 430.380 0.357 50 20 ICGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 806293835 CSNDVZCIHIUYAU-IUODEOHRSA-N 437.449 0.820 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567356 GYAHBVCLXLMGFK-JOYOIKCWSA-N 444.407 0.746 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)c(O)c1 810386686 MQRXAMIXYKMKBP-UHFFFAOYSA-N 436.371 0.843 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 810813102 JMVFQOFJSJAWTH-UHFFFAOYSA-N 428.511 0.726 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 812729558 OVHGDAHHEPHZEU-OAHLLOKOSA-N 430.486 0.899 50 20 ICGD Cn1c(N)nc(Cl)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 814689091 UEOYZTXROTXTLZ-UHFFFAOYSA-N 426.886 0.441 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc(OC)c1C(C)C 815692555 UNTADVJVGGDMJZ-GFCCVEGCSA-N 430.465 0.767 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 815692673 YBQKYMBLXOXYTR-GXTWGEPZSA-N 446.439 0.324 50 20 ICGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779476 HNWPHNLPXUURKQ-GFCCVEGCSA-N 428.239 0.891 50 20 ICGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 919961085 RAZFMAICMJLVIX-QMMMGPOBSA-N 426.860 0.236 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n2nnnc2C)c1 920427831 PRLJCDKJDYTALT-WOJGMQOQSA-N 446.431 0.425 50 20 ICGD CC(=O)NC1(c2noc(CCC(=O)NNC(=O)CN3CCCC3=O)n2)CCCCCC1 920432459 AKRLQBUDVUYKKV-UHFFFAOYSA-N 434.497 0.458 50 20 ICGD COCCN1CCC(NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 920814181 BSTQUAMXWVYDMK-UHFFFAOYSA-N 426.543 0.343 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1779296721 AURIGRVONKTDHH-OAHLLOKOSA-N 426.464 0.773 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298261 CHHFYYJWXSUZCZ-DNVCBOLYSA-N 445.589 0.511 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1779979564 IRYMMWLKJBGVMR-YWZLYKJASA-N 436.896 0.976 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071278 FLNRVDRPYYZUHS-YVEFUNNKSA-N 425.898 0.784 50 20 ICGD CN(C)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780641476 PKJGLXRQFZZETO-HSZRJFAPSA-N 437.305 0.190 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781486730 VUHGQJCCQBGHCL-MDASCCDHSA-N 445.347 0.994 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783147768 KWORWJRANVQFNH-DJJJIMSYSA-N 446.932 0.214 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1783312054 UKGIDJLWXVMJKE-HOYKHHGWSA-N 436.317 0.922 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1783343293 SEVVNYWOOQGKOC-KSSFIOAISA-N 426.311 0.852 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783353877 RATPTMVLFRJULS-JTDSTZFVSA-N 445.402 0.626 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c21 1783935505 UUCXEDUSXVIXBK-SPLOXXLWSA-N 432.525 0.276 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784206685 ULQJSCFVJQAZNK-UUOWRZLLSA-N 436.317 0.689 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784283318 WRCPZTMPENHTOS-FQUUOJAGSA-N 432.315 0.592 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507790 UNURDYXMZBLBKD-WVIPKZCGSA-N 446.552 0.440 50 20 ICGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)C(F)(F)F 1789921511 NCBBZHZEGDBFGG-JHXPXUMGSA-N 435.212 0.970 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3N(C)C)C[C@@H]21 1791288540 BZIIPLFZUDWDKK-IEZWGBDMSA-N 446.552 0.114 50 20 ICGD CCOc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792385173 ZWPXUAUIUQZVRQ-JLVBRIDZSA-N 444.318 0.344 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1Cl 1792658718 JZZXJHSYFZOXGG-XEMDLRDOSA-N 442.708 0.845 50 20 ICGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)cn1 1795324805 OKGIFZHXUKQEGT-SSJPOKSSSA-N 439.476 0.871 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796364451 IOXUEBJTIFKEJY-ZUWCUPBKSA-N 437.896 0.386 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1798522349 QAXSDOMKOISDPD-HBCWATKFSA-N 434.449 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc21 1801115558 LNEMDOYSNFXXFM-YZIUBNRHSA-N 428.533 0.679 50 20 ICGD Cn1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807366821 HMQUPJIMVWTLDI-DENIHFKCSA-N 447.304 0.057 50 20 ICGD Cc1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369878 XOAYRZXAERURAO-RXVVDRJESA-N 445.288 0.493 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371049 OUVZMKZGECVHJU-HGWQEYRNSA-N 438.337 0.454 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccncn2)[C@H]1c1cccnc1 1808515806 JMCQBXQAKYFDGP-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813009512 QLUNAONYHHJLSM-ZRCAFCQKSA-N 437.305 0.696 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813070415 INVTUEVSJLZDBM-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1813072332 AQRHTCHVNWTOCY-VGSWGCGISA-N 441.536 0.816 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470930 MXGFDQGZUPJYOI-SFHVURJKSA-N 436.281 0.601 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)O1 1818733998 HZYSQKQYDSLXSW-UEKVPHQBSA-N 444.517 0.935 50 20 ICGD CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)COC1 1823873395 VKFVQULZYFLKBA-SFHVURJKSA-N 429.521 0.955 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1830533213 IFASJSLEZFTCCS-MAUKXSAKSA-N 432.359 0.570 50 20 ICGD CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537572 KOZZEOMIKJCACI-QAPCUYQASA-N 434.375 0.862 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833276089 GBWYOZKGIFFHPK-ROUUACIJSA-N 432.304 0.626 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834022452 VGXDXPABBPVWTI-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)o1 1836025576 MXGIYRZUPHUWGY-DLBZAZTESA-N 435.308 0.613 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1836062269 JVBHNXFWLPDCSV-GDBMZVCRSA-N 433.278 0.110 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198201 XAXXWJDQGSDWED-BBRMVZONSA-N 447.261 0.246 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(O)n1 1839200116 FRAVKXRMZRBMGW-SUMWQHHRSA-N 446.273 0.856 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202790 PNWARDXARLWOSG-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840152341 FWLFPBSMCOMHOC-KUHUBIRLSA-N 437.884 0.053 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)nc2nccn12 1840189792 MDLFQAOPFXKDJA-SFHVURJKSA-N 442.303 0.911 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380741 SDACHSPDGGPETO-QGZVFWFLSA-N 443.602 0.205 50 20 ICGD O=C(c1ccccc1OC(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840743792 PBXIOGLGHAMWBS-IFXJQAMLSA-N 448.850 0.958 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)CCBr)C1 1842639093 DLDXOYSMVRQYMZ-UHFFFAOYSA-N 427.255 0.745 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846363417 HOCABQFBIPHOPZ-QLFBSQMISA-N 445.944 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(C)(=O)=O)c1 1847384967 QNVQJZAMWDLYBV-IRXDYDNUSA-N 436.534 0.279 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 728370807 CHCQVCLDDAUGKS-KBPBESRZSA-N 427.910 0.774 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 729265748 BKDKXLINNOMWMP-UHFFFAOYSA-N 433.538 0.017 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 730033812 UVGJYZUGJYCALC-UHFFFAOYSA-N 432.502 0.968 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C 736690449 BBEJRZLNCZUSAH-UHFFFAOYSA-N 435.448 0.046 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)NC(CC)CC)cc(C3CC3)nc21 740851445 FPOAZSPEDZIPNK-UHFFFAOYSA-N 444.492 0.850 50 20 ICGD O=C(NCC1(CN2CCOCC2)CCCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 751607315 RYBJUIMSCBDVMG-UHFFFAOYSA-N 442.524 0.889 50 20 ICGD O=C(NCc1ncccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 752687626 SYUGCVQVHPENFX-UHFFFAOYSA-N 437.453 0.386 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1CC(F)(F)C1 753573397 OZSFWWLOYHUYDT-UHFFFAOYSA-N 431.461 0.833 50 20 ICGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 754974838 RZOILQBKZZAKLG-LJQANCHMSA-N 437.474 0.654 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 756208163 YERULJIAHJAZCK-CMPLNLGQSA-N 434.902 0.988 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(CN2C(=O)CSC2=O)cc1 756299977 GYGKDCNTAVGZIO-NSHDSACASA-N 426.476 0.469 50 20 ICGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)C(=O)Nc1ccccn1 758839786 MMMYQFYBBCLUQP-UHFFFAOYSA-N 448.233 0.356 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760276224 AKSIVVFBSMWACE-UHFFFAOYSA-N 427.392 0.941 50 20 ICGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763685514 CGOQBXGNBGZBHL-UHFFFAOYSA-N 426.838 0.152 50 20 ICGD CCOc1cccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 763734233 IOXUDZGTJYUGAC-UHFFFAOYSA-N 448.501 0.800 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1csc(NC(=O)c2cccs2)n1 763821653 VVBGYJBVKAOMKA-UHFFFAOYSA-N 444.498 0.972 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1OCC(N)=O 763821934 STVDFYRRYOKANF-UHFFFAOYSA-N 430.417 0.033 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)ccc1OC(C)C 763921004 FZACPTQKHGUBKZ-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc2O1 764297961 JUGFTLJNNDDASX-QGZVFWFLSA-N 442.476 0.578 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764314368 VGUZQEGZBTXNCF-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 764399337 KGSBXSSGSMUBSZ-LBPRGKRZSA-N 442.900 0.958 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 764432894 KELFQDVLKJUIRP-HNNXBMFYSA-N 438.868 0.467 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)CCc1ccccc1 765117498 GZFAYJOKOBJSAU-UHFFFAOYSA-N 430.530 0.638 50 20 ICGD CC(C)(C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 766643297 AJWIQXAIXBEBCU-UHFFFAOYSA-N 443.464 0.132 50 20 ICGD CSCCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 769769396 KNMZYJCIWVCNEB-UHFFFAOYSA-N 441.604 0.817 50 20 ICGD CC(=O)N1C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)Oc2ccccc21 772187671 ANVIQQRXTMXZSS-KRWDZBQOSA-N 430.848 0.918 50 20 ICGD Cc1cn2c(=O)c(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)cnc2s1 772563861 FUMUYCWUMWMHRI-UHFFFAOYSA-N 434.503 0.741 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O 773411396 KGRRQTJHKRPTHR-LSDHHAIUSA-N 425.530 0.191 50 20 ICGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 773492999 SWTAFROUTWWRQS-UHFFFAOYSA-N 449.511 0.997 50 20 ICGD O=C(CCn1nnc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 777778173 ZUAAZCTZBQVTCH-UHFFFAOYSA-N 444.311 0.008 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)cc(OC)c1OC 779578573 KVMAFCNSGCTCBF-HZPDHXFCSA-N 430.417 0.444 50 20 ICGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 780973702 FVGIAVCBOJAYEB-UHFFFAOYSA-N 434.902 0.924 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(OC)c(-n3cnnn3)c2)c2ccccc2c1=O 781662237 FEIKGEAMMUAOPW-UHFFFAOYSA-N 434.416 0.476 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C[C@@H](C)O1 783425908 KFISMATXDGNMPQ-MDOVXXIYSA-N 438.550 0.432 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F 784002507 REQCWIRYUHCKSE-UHFFFAOYSA-N 428.380 0.179 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 786414330 LTNHEFLHHFYKLF-UHFFFAOYSA-N 447.448 0.792 50 20 ICGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 790952294 QLYRMYGGROMNPN-INIZCTEOSA-N 440.504 0.853 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 792777798 JJZAQNKNLQUNML-UHFFFAOYSA-N 441.491 0.152 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 795326939 GURDNLVRRHVJCI-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c2ccccc2n1 799010178 UBFOMVNWTLGUJT-UHFFFAOYSA-N 426.454 0.877 50 20 ICGD COc1cc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)ccc1OCC(=O)N(C)C 804918030 UWLVLPNACOYSKR-UHFFFAOYSA-N 440.464 0.964 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806972734 JGLNIDZVHOZJRU-UHFFFAOYSA-N 448.382 0.930 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 825624444 MNISXDIEQKUKTP-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc1OC 916253608 AZHFNKGEMXMMIU-UHFFFAOYSA-N 428.511 0.900 50 20 ICGD O=C(NCCOCC(F)(F)F)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916326893 XIUQQPBPPKFWLZ-UHFFFAOYSA-N 438.428 0.994 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 917529740 UDCPIOPUQPPUSP-INIZCTEOSA-N 436.534 0.881 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC(F)F 919888948 IIMZYMFPPBACLC-SSDOTTSWSA-N 438.365 0.336 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)ccc1OC(C)C 1319012754 UFRQLBLEAREYBO-QGZVFWFLSA-N 434.474 0.974 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1C 1779030670 SWZYSQZHAJALJU-NRFANRHFSA-N 426.477 0.089 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779032643 PTXACEVMVDIYTH-QFIPXVFZSA-N 434.456 0.314 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779454954 WCDRIAJAEKVSAW-FQEVSTJZSA-N 429.669 0.172 50 20 ICGD Cc1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)sc1C 1779943817 AYKGIPHYQQVDAR-HXUWFJFHSA-N 444.517 0.516 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780492787 MOSUSAKQRSOYNZ-NRFANRHFSA-N 430.216 0.402 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Cn1cncn1)C2 1782175386 KYBOVKXRRINWGP-YYAJDYIMSA-N 427.933 0.682 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1)N1CCN(C)CC1 1783852356 XFXSAEJNZSPWDY-OWSLCNJRSA-N 429.005 0.867 50 20 ICGD Cn1c(=O)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c2ccccc21 1783947414 BTKMZDUYTFNWJJ-IBGZPJMESA-N 441.315 0.974 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1783968607 CAGRMZPVFXAZKR-ABHRYQDASA-N 443.342 0.605 50 20 ICGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784084007 JWLXNRXUQXGKRB-PEJOBZMASA-N 426.897 0.308 50 20 ICGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1784454056 XKQMTKMJSJNWBU-WFGGJUAMSA-N 429.366 0.637 50 20 ICGD COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cc1C 1786271224 GRFKWYWCUWSTIU-SZMVWBNQSA-N 447.536 0.365 50 20 ICGD C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C[C@@H]21 1786783861 QZSQFOZYNPXMIZ-YXMSTPNBSA-N 446.976 0.693 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984782 JBBOIYNAKUWZAN-NDXORKPFSA-N 440.280 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C[C@@H]21)[C@H](F)Cl 1787444027 JFQPMQODMFGGRS-XBQZJTFMSA-N 442.875 0.507 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507109 XQNVYDNDAOIXCL-NBSPSWBDSA-N 445.520 0.715 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)OC(C)C)[C@H]2C1 1788696682 FZBANLGWSDAZCW-AKGDVTCISA-N 447.536 0.914 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C1CC1 1792978409 UFWNZSUTEVDJKT-JKJDWNRSSA-N 445.944 0.479 50 20 ICGD O=C(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)Nc1ccc(F)cc1 1792978594 HWWLLTMDEVDBCV-TYYYEBLRSA-N 427.860 0.344 50 20 ICGD CN(C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1794142666 KEYYFUHOSOLBOE-CRWXNKLISA-N 430.933 0.845 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1796773217 HPDJISCDMZJBOK-QRJUGERDSA-N 445.944 0.860 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1796892060 DCTYGINSBWNEQW-MOINTJSASA-N 430.509 0.091 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnc2ncccn12 1797028338 FRKJNEZOKUIVPV-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ncccn12 1797556294 PYBQOZRVGPALSI-BTTYYORXSA-N 434.460 0.293 50 20 ICGD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c2cccnc21 1798253727 GGNDBUFCZKNYCO-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2c(O)nnc2O)cc1)[C@H](O)CCl 1799309622 NRXOBHYSXLAWDZ-FAAHXZRKSA-N 435.868 0.530 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802124185 VWXZRTJWRAGHFH-NKGKWGDASA-N 445.325 0.531 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 1802333083 MBKIQYKANSQDQZ-RCJHGTSTSA-N 430.505 0.838 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803148143 OFQQFOPZLOWJRI-IJEWVQPXSA-N 427.958 0.171 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)nn1C 1807369278 DTOBPKBXJYCUSK-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809815343 NVSJLKMJBOWPNH-UONOGXRCSA-N 431.375 0.841 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnc(N)s2)[C@@H]1c1cccnc1 1813071138 NTVBFNRLFBIRJD-RDTXWAMCSA-N 445.549 0.813 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)c(=O)nc1O 1814875841 LUBFPNDZCVVZDM-CHWSQXEVSA-N 438.872 0.272 50 20 ICGD O=C(Cc1cccnc1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340291 HVCFTSFWWPHRHQ-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1 1818113741 VRQMZYFFBCABAL-OHHQFBAHSA-N 445.480 0.545 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932781 PMLRNJCPBLWCPR-ZDSQKVDBSA-N 433.282 0.685 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)o1 1822413761 AMXFIODZQSCBJX-AWEZNQCLSA-N 432.485 0.709 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822416996 VKJZZPRQPDMWQJ-CQSZACIVSA-N 434.497 0.728 50 20 ICGD CC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822841953 YNWKGYBJGWJQEU-RYUDHWBXSA-N 448.998 0.803 50 20 ICGD CN1CCN(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)CC1 1824182065 RUNKXYFCFLVHBV-OALUTQOASA-N 429.005 0.843 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)no1 1826091775 BUNLJPLRNWYFJV-LBPRGKRZSA-N 434.522 0.967 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826841124 UPTUZMQPRLBCBN-DQLDELGASA-N 429.370 0.973 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830617797 VMUVZZYBKYKWEU-LBTNJELSSA-N 435.359 0.881 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1830738931 VMSAGFVQUAGGPM-XLIONFOSSA-N 440.899 0.913 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832481071 RIQYCDXBDOIJKT-MHTWAQMVSA-N 426.322 0.492 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1)[C@H](O)CCl 1833309862 BXZAAXONOQWQTB-QGZVFWFLSA-N 439.944 0.451 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1F 1833675135 SUNHVPVEDHCQON-SWLSCSKDSA-N 437.241 0.618 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n(C)n1 1834164827 FOENKSBVNNUOIL-CZUORRHYSA-N 433.278 0.489 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821664 STDTZRUQPWECHS-CXAGYDPISA-N 434.331 0.095 50 20 ICGD C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926685 YYMBXIACLJBDET-QHCPKHFHSA-N 444.337 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C3CC(O)C3)CC2)CC1 1836683091 SVUJXBRPZPQSHD-UHFFFAOYSA-N 445.520 0.068 50 20 ICGD Cn1c(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cccc1=O 1836715692 WPGMUCJULQAXQI-QGZVFWFLSA-N 425.913 0.597 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921327 ZTFHAIDYICOZPI-QGZVFWFLSA-N 446.353 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838369168 UWUOOYFJWQJVNA-OAHLLOKOSA-N 442.948 0.572 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198065 RNQFLAVELJXIJL-LRDDRELGSA-N 449.277 0.189 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839199498 OYUAQPGLSHAOGP-CZUORRHYSA-N 433.278 0.733 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839597993 LLOBCODCIBDQPX-LIRRHRJNSA-N 440.859 0.372 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326783 YIQKLXSAWWJGGF-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1841752948 SQMQIDINGREWCG-QAQDUYKDSA-N 428.294 0.163 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012686 FRXCJZOHXSASJV-UHFFFAOYSA-N 428.681 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ncn(C)c2C(F)(F)F)C1 1843520684 OJXBJOMGPPEKIH-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1F 1844263286 NJZOIBILKPXFHY-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1F 1844265509 KMCPFIXCGDOPNY-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD O=C(CN1CSCC1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 21197104 MPHVMKMMTVSUGE-UHFFFAOYSA-N 440.528 0.843 50 20 ICGD COc1ccc(OC)c2c1CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C[C@@H]2O 115320186 VMKQNJQAAPAQPD-HNNXBMFYSA-N 430.417 0.922 50 20 ICGD O=C(CC1CCCC1)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 116536000 DSAFACWILANOQW-UHFFFAOYSA-N 436.534 0.929 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 728513178 SYOVAIQLHZYBDF-CJNGLKHVSA-N 438.912 0.999 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H](c1ccccc1)N1CCOCC1 730570313 HGRAGNAJSXOBDA-KRWDZBQOSA-N 446.533 0.137 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C 732049871 CRDSNKOYNDEXAJ-IBGZPJMESA-N 432.521 0.543 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 732476824 YBMDYTZCBRFRHH-QGZVFWFLSA-N 445.545 0.752 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc2ccc(S(=O)(=O)N(CC)CC)cn12 735414648 QMGLNWITMVWTCC-NSHDSACASA-N 428.540 0.798 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)o1 742247309 XODNAJKDSMFFEM-NXQUOZRTSA-N 432.477 0.433 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H](O)c1ccccc1 746101242 SXBFGTQANLQOAX-FQEVSTJZSA-N 447.513 0.521 50 20 ICGD CN(C)CCN1C[C@H](C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 746272805 XQOMHFNLDUSOTL-CQSZACIVSA-N 440.545 0.126 50 20 ICGD COc1ccc(CC(=O)NNC(=O)Cc2ccncc2)cc1S(=O)(=O)N1CCOCC1 747324854 MSFXUJAMZZICGK-UHFFFAOYSA-N 448.501 0.044 50 20 ICGD Cc1oc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 754179063 QQYYEJNWNXMWJA-UHFFFAOYSA-N 434.430 0.328 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(C(=O)OCC)c1 755841125 FZTOJTRVFRHQNB-NSHDSACASA-N 441.462 0.627 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 756293498 IDAMHRDBKHNXLX-CYBMUJFWSA-N 445.501 0.980 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756653763 GWUHPEFXIBTEAV-ZDUSSCGKSA-N 434.428 0.501 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)[C@H](C#N)C1 758775291 WHXOKSMQYPTYTD-VXGBXAGGSA-N 436.494 0.567 50 20 ICGD CN(CC(=O)NNc1nccc(N2CCOCC2)n1)C(=O)c1ccc(Br)o1 762867876 YLTJWVWQXGYQQY-UHFFFAOYSA-N 439.270 0.884 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 763716920 PBYLBRXAIRZROD-UHFFFAOYSA-N 428.445 0.782 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)n1 763717934 DGVRQJRAROLXOQ-UHFFFAOYSA-N 447.451 0.936 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)cn1 763734505 LSWCNDKGRSQDDK-UHFFFAOYSA-N 438.897 0.503 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 764136536 RWKDOBNPUDTGQC-UHFFFAOYSA-N 448.501 0.711 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)cc1 764558347 FFHBFFIDXVJARZ-ZIAGYGMSSA-N 428.507 0.982 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 766940682 BUFBYFXLWQXTSB-UHFFFAOYSA-N 447.521 0.245 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 767733326 BCTDPSKMBMDFIJ-UHFFFAOYSA-N 445.545 0.950 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccnc1 772228505 OUSHVZWOAPVGDF-CQSZACIVSA-N 437.522 0.701 50 20 ICGD C=Cn1cc(C=NNC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)cn1 773016510 AVOLIJUYFSGCQM-UHFFFAOYSA-N 446.471 0.875 50 20 ICGD C[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 775194476 YLFHIGDJRGYURR-ZDUSSCGKSA-N 449.489 0.957 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1ncncc1Cl 780965866 VQEXJITUGAQSIV-UHFFFAOYSA-N 440.917 0.303 50 20 ICGD CO[C@H](C)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 782736002 JVBUNKGXEPMUPD-MRXNPFEDSA-N 426.539 0.264 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)cc1S(=O)(=O)N(C)C 784846680 FHKNUZQIRVJMJD-UHFFFAOYSA-N 425.442 0.952 50 20 ICGD O=C(NCc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 786727362 CADOOHYEHIVFMT-CQSZACIVSA-N 432.458 0.817 50 20 ICGD COCCOC1CCC(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 792803897 IHTKRWVSHLBSDB-UHFFFAOYSA-N 441.550 0.985 50 20 ICGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1CCS(=O)(=O)C1 792853651 GFRRFMRUJDIRIU-OAHLLOKOSA-N 441.531 0.864 50 20 ICGD O=C(NCc1ccncc1OC[C@H]1CCOC1)NNC(=O)c1ccc(-n2cnnn2)cc1 807615896 LTUBLJPMQXRKOO-AWEZNQCLSA-N 438.448 0.617 50 20 ICGD O=C(NNS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)[C@@H]1CCS(=O)(=O)C1 811680496 SZXWJDMYCHBVPJ-GFCCVEGCSA-N 436.471 0.634 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1ccc(F)cc1 913156197 RYOSEXLAOUKZLP-UHFFFAOYSA-N 437.449 0.655 50 20 ICGD O=C(CSc1cccc[n+]1[O-])NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 914070017 PQJPQHAINORDPR-UHFFFAOYSA-N 436.515 0.658 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1OC 917313465 FNJCCWPTFFRRJD-KRWDZBQOSA-N 443.412 0.798 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 1116085007 UONZRQPREHNKJQ-CQSZACIVSA-N 432.543 0.595 50 20 ICGD CCC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778092858 SURRERJLWPRGQJ-XGHYCODVSA-N 431.493 0.613 50 20 ICGD C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779150505 LQMZINGOBKRFIN-IGVGMEOHSA-N 438.289 0.815 50 20 ICGD O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779395975 LNZFBEIPTMPFFY-SQGPQFPESA-N 426.941 0.799 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1781230637 XQHSGSURAYAKFW-DLBZAZTESA-N 427.292 0.804 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784550608 ZZOGSQMLSVVQFN-JVGJSBIGSA-N 447.536 0.507 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1785018031 VYFKVOYLCNOCTE-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611357 WQHGYQAVJYCUHP-SNRMKQJTSA-N 427.505 0.472 50 20 ICGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921156 ACPKMKBOSRRIPQ-QCQGSNGOSA-N 436.322 0.963 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792870922 MLKZLNCXQUNGSI-MWGHHZFTSA-N 430.259 0.552 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1792871447 ZCBRRZZAVBFLMZ-XPCVCDNBSA-N 436.310 0.964 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)ccc1[N+](=O)[O-] 1792983422 MIMNGXOXPKKJQD-FAXLKDOZSA-N 427.841 0.406 50 20 ICGD C[C@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1793930132 IIBXWIIPONOQJZ-UCSBCBTLSA-N 429.399 0.250 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)cn1 1794340057 YCYFAZCECURPJR-MCYUEQNJSA-N 427.299 0.862 50 20 ICGD CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732672 JVQOLJGTRDORDQ-JLVBRIDZSA-N 444.318 0.344 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1)C2)c1ccc(B(O)O)cc1 1795735315 YQQYOPDNBJJRTD-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD COc1cc(C)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735778 DRQJLWIPDAVQFU-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739926 RMXFKKPVWHLMDH-RMFSNUHRSA-N 438.289 0.282 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C(F)(F)F)cn1 1796070231 CMSREIRNFWGFCB-FBKDDSFISA-N 436.818 0.952 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 1796187169 OLCZFFDTKIOIQK-BCDXTJNWSA-N 445.325 0.485 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796364447 IOXUEBJTIFKEJY-NDKCEZKHSA-N 437.896 0.386 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1797529601 NXDRXQPTHUIKOF-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)c1OC 1799348209 ACNWUBVCYJQUJD-HOZXKAFVSA-N 446.273 0.993 50 20 ICGD C=C(Oc1ccccc1O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011133 GXAWTYMNJUANRL-VPTLXERWSA-N 446.504 0.247 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801269980 CZZGCOWAQUWPGK-BLXSCJOCSA-N 425.327 0.888 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1F)c1cccc(B(O)O)c1 1801805766 JEXKSOAXGFVXQS-BCDXTJNWSA-N 426.253 0.836 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803612966 SZPFZSVQYGWYFA-MTOHEIAKSA-N 439.321 0.488 50 20 ICGD CCCNC(=O)CCC(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1 1805879334 FFPCIVBOZAVUKY-UHFFFAOYSA-N 437.585 0.897 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360536 SUDLJSYRHYTUAN-AVRDEDQJSA-N 445.288 0.114 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cn1 1807364093 RZFYFYJVIZPCSM-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367857 NMGCBEKWBILIQS-WIYYLYMNSA-N 437.305 0.386 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1807374659 IYZOQTYIIMBBMW-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD CCC1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)COC1 1813073090 HGVSAPMDHZTIFQ-PXNSSMCTSA-N 431.537 0.887 50 20 ICGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815339352 ADEHAMCCRKQROE-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)O1 1815344260 QLSVCAUIIVEVFG-DIOULYMOSA-N 429.307 0.616 50 20 ICGD Cn1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815347907 XANIYOCSSLMQRY-OAHLLOKOSA-N 439.306 0.025 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1F)CC2)c1cccc(B(O)O)c1 1815354853 VEDCJXMFXUARRM-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817472499 NBWUFTDNGFKYCE-LPHOPBHVSA-N 439.325 0.737 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818122118 WJTBQBGMBFWXID-ACJLOTCBSA-N 441.297 0.262 50 20 ICGD COCCOCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402191 TWMNVCJLKQKVJX-INIZCTEOSA-N 445.480 0.377 50 20 ICGD O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1822024247 AIBIXAKBFUXDDX-AWEZNQCLSA-N 446.346 0.473 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822440344 VNDCUSKTACRPRQ-NXEZZACHSA-N 425.795 0.680 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cn[nH]c1)CC2 1826080527 PHQNAKVIQJCKNN-ZDUSSCGKSA-N 433.538 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCC1=O)CC2 1826085107 FAMKOPQYMZVAGQ-GFCCVEGCSA-N 436.538 0.051 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826563139 BPSCBPZNGSPVBZ-OWNNVSBGSA-N 437.290 0.485 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053702 XVJZKPCQCZRYPE-UFBKIKKCSA-N 441.337 0.640 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1828925215 IFJJPCMAOSGNQI-QZTJIDSGSA-N 442.520 0.197 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829582416 BHUUKNZVTHZRSY-KSSFIOAISA-N 448.303 0.413 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829824028 LOMXUJNBKMIAEE-PKOBYXMFSA-N 426.542 0.621 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896512 KUTMIHDRTXCIHF-KSSFIOAISA-N 432.359 0.568 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362479 XJOSRQWGHBRSET-AUUYWEPGSA-N 432.949 0.415 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733052 ZWEHUACMBACYAH-DNVCBOLYSA-N 427.885 0.068 50 20 ICGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)[nH]1 1833580780 XVROWWZSPWJXCG-UHFFFAOYSA-N 433.557 0.276 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833614932 PGXWOUFBUWXGMY-GOSISDBHSA-N 428.892 0.408 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835063904 KMVVSFVTOMCCGH-FXAWDEMLSA-N 426.897 0.294 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835937369 SHWUYKWRNPKKRB-FDDCHVKYSA-N 442.321 0.183 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)ccc21 1837148925 BUXFIZHYWZZRQO-HNAYVOBHSA-N 425.844 0.534 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837881784 NMVBJYXNCMEKRX-KRWDZBQOSA-N 442.633 0.429 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838808488 ABHXQAIRFFJEHH-YLJYHZDGSA-N 442.944 0.696 50 20 ICGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840029562 JOKLWFQNVRFVML-BONVTDFDSA-N 448.343 0.433 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840152528 KZLMCGKNFDNUFN-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620390 SWZDLRYLYVFKQG-FBTHGLLTSA-N 449.483 0.469 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@@H](C)CBr)C2)CC1 1841287404 LFOUEFUMUCGJGN-AWEZNQCLSA-N 429.359 0.385 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CCOC1 1841352932 UZSIVMPQUXSMKB-ORAYPTAESA-N 431.917 0.473 50 20 ICGD O=C(c1cn2cc(Cl)ccc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011376 XCEBUBXEQHWRFE-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 14939641 ZPDLBSKCHQVDIO-HNNXBMFYSA-N 440.431 0.812 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 15902153 LKTQQQLWJBAISJ-UHFFFAOYSA-N 428.470 0.918 50 20 ICGD CCc1cccc(C)c1NC(=S)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 16782770 XLRNVMTUICEBTG-UHFFFAOYSA-N 429.506 0.322 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1OC(C)C 46583070 WRTCLXKXGNHZST-UHFFFAOYSA-N 441.444 0.503 50 20 ICGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 728179134 FOBVTJIPTRKVRP-KRWDZBQOSA-N 443.591 0.896 50 20 ICGD CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 730321761 NBQQDQFQTPQDTI-DOMZBBRYSA-N 437.474 0.219 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 732051763 DWKBSXOKJJTWPU-GOSISDBHSA-N 434.562 0.948 50 20 ICGD CC(C)(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccccc1 732247839 MRQRSFCHUPECQC-MRXNPFEDSA-N 426.539 0.783 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)=NN1c1ccc(F)cc1 733108145 HZUHLMICZZWPAQ-GOSISDBHSA-N 435.419 0.893 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 744060564 KHBBOMAGJBYBEX-UHFFFAOYSA-N 426.495 0.603 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 744385624 ZMJLXRJRBKYNDP-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD COc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 746624893 AENRYFLWGAYPBO-UHFFFAOYSA-N 425.442 0.711 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccccc1CN1CCC(O)CC1 749592855 WWMUFMAPVOOHII-UHFFFAOYSA-N 445.545 0.965 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 751208546 GNMSBVOIJSZUOV-UHFFFAOYSA-N 442.494 0.765 50 20 ICGD CC(C)Nc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 752788705 HJZQOVPCYMJUCH-UHFFFAOYSA-N 447.517 0.998 50 20 ICGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Br 755508546 SVWRUADJOSMIFI-QMMMGPOBSA-N 434.268 0.823 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756081605 URJAQONJPFSTSD-GFCCVEGCSA-N 443.913 0.584 50 20 ICGD NC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 757700214 OSFJMBNSRJABKJ-UHFFFAOYSA-N 432.462 0.432 50 20 ICGD C#CCCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 757781991 UDAQRVBOTILMAY-MRXNPFEDSA-N 437.518 0.904 50 20 ICGD O=C(NNC(=O)N1CCN(c2ncc(F)cn2)CC1)c1csc(N2CCOCC2)n1 759212339 XAOUWHVFDYXPCA-UHFFFAOYSA-N 436.473 0.085 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 759718328 MVSSYDHEEHSCLF-TVYUQYBPSA-N 429.271 0.580 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)c(=O)c3ccccc23)cc1 760053304 JWMSFNQBJYNATG-UHFFFAOYSA-N 442.497 0.929 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 761700498 QQJAPAFAWCMWLS-UHFFFAOYSA-N 437.522 0.199 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc1O 763438962 GEAZTCHIGQSIAJ-UHFFFAOYSA-N 430.483 0.965 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 763460335 GCXVPLASICDAKJ-OAHLLOKOSA-N 430.469 0.910 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 763615240 YWRXBVIQLKAMAF-UHFFFAOYSA-N 436.428 0.845 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 763872263 MZENYXXDSJUBJB-ZDUSSCGKSA-N 447.469 0.846 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 764229912 DVKIXXDWBSRHLK-SNVBAGLBSA-N 430.458 0.171 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764321114 QTEQXOXJUCNXRU-UHFFFAOYSA-N 436.465 0.843 50 20 ICGD CN(C)C(=O)CNC(=S)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 764519363 QMFDTYXXWDABRC-UHFFFAOYSA-N 426.974 0.041 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)n(C)c1=O 765724983 MZBBLQCDTSPOQR-UHFFFAOYSA-N 448.439 0.687 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 767319528 OIUQQXMYESZVHT-CQSZACIVSA-N 430.461 0.481 50 20 ICGD CS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 767849160 XFJHHKDKJAMXKM-UHFFFAOYSA-N 427.416 0.678 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n[nH]2)cc1 768269803 QIWGGQAGMOGVJA-UHFFFAOYSA-N 440.485 0.898 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cc([N+](=O)[O-])cnc1O 768290426 GTWFBAHKEHFXBK-UHFFFAOYSA-N 448.867 0.928 50 20 ICGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 769776706 FIYQLKOPXMVILZ-CYBMUJFWSA-N 432.593 0.616 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 772945282 ABZYYCLCBNSWRP-UHFFFAOYSA-N 443.341 0.692 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)C1 773422869 ZGIMOTWANRZJGK-KRWDZBQOSA-N 446.552 0.998 50 20 ICGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 773509690 BSSBMPHBDFYQSY-UHFFFAOYSA-N 445.501 0.883 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cc1 773648913 XBCUTWZWPNNHCR-UHFFFAOYSA-N 437.434 0.601 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 776062143 RBYIYKKXQNMIDO-UHFFFAOYSA-N 449.489 0.643 50 20 ICGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1Br 778710889 AKXVIQWYGDZNFP-UHFFFAOYSA-N 426.227 0.518 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 778713398 QWCBVGWFIDQMOB-IAQYHMDHSA-N 427.841 0.257 50 20 ICGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783427632 PMQKKFHCHNGQJB-LJQANCHMSA-N 426.539 0.544 50 20 ICGD CN(NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704499 NIYPMNYONCURAQ-UHFFFAOYSA-N 432.543 0.980 50 20 ICGD CN(NC(=O)c1ccc(S(N)(=O)=O)s1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705078 UYIIFNPDDQCRHY-UHFFFAOYSA-N 447.539 0.645 50 20 ICGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 793073086 HHQOUOCIONXWKT-UHFFFAOYSA-N 440.503 0.908 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 797701647 XZCNYHOTPPMZFF-IBGZPJMESA-N 448.457 0.811 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nnn(Cc3ccncc3)c2C)n1 803972642 VVUJWHFEZNRYRQ-UHFFFAOYSA-N 429.462 0.342 50 20 ICGD CN1CCN(C(=O)c2ccc(CNC(=O)NNc3ccc(-n4ccnc4)nn3)cc2)CC1 804946693 LWYCWLNYAYSTPZ-UHFFFAOYSA-N 435.492 0.876 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 811304593 VGLYXYHUYLGFLN-UHFFFAOYSA-N 434.474 0.319 50 20 ICGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 814698438 FJPHYJFFYIWELS-CQSZACIVSA-N 443.547 0.447 50 20 ICGD CC(=NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814837164 KHBVHUQWSMWCHW-UHFFFAOYSA-N 444.517 0.492 50 20 ICGD COC(=O)c1cc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)ccc1C 816688827 IBDRUORAVVQPQZ-UHFFFAOYSA-N 446.485 0.659 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912919844 REKABUONFCYXFM-QEEYODRMSA-N 429.521 0.862 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888196 ASQIZEFZNPQZTA-LSDHHAIUSA-N 425.511 0.028 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 1253555221 USQNRFIDLPVHLB-CQSZACIVSA-N 447.558 0.388 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 1254254356 DJWFRECBAAFMFZ-HNNXBMFYSA-N 442.513 0.886 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1256567666 NLGNXVHDMIDDND-UHFFFAOYSA-N 428.417 0.896 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832538 FWWTXCHNRZLGCH-YVEFUNNKSA-N 437.298 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778051702 QAPMXVRZPHOPMZ-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1781015877 SWLWHDHHJNTKCJ-TYILLQQXSA-N 431.917 0.425 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nn1C 1782210135 HFPLBEDAWZHSNA-XMSQKQJNSA-N 448.568 0.158 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782210719 DRPXAEFAGLTPJI-DYESRHJHSA-N 432.525 0.286 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(C)(C)C)C2 1782210852 RTQCGRVZTXIMNM-IIBYNOLFSA-N 425.574 0.261 50 20 ICGD CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782866610 FIOODIDKASEAJF-CJRTWVEFSA-N 432.427 0.838 50 20 ICGD O=C([C@@H]1CCCS1(=O)=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782960210 PHYALBWMKJDDFA-MJVIPROJSA-N 427.292 0.084 50 20 ICGD COCCOCCOCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783680408 GFQXVHXCTFENSN-FUHWJXTLSA-N 440.896 0.047 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1 1783851575 DHIPIUOXXHBYHR-LUKYLMHMSA-N 446.928 0.726 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cc(CO)on3)CCC2)cc1)c1cccc(B(O)O)c1 1788147761 CILTZWPUFXVKJA-UHFFFAOYSA-N 435.245 0.908 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)n4ccnc4n3)C[C@@H]21 1791256894 KZZFAKVPKNLAPB-MPTYRVRUSA-N 435.912 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21 1791286721 HLRNTIDKZOKKHV-QEJZJMRPSA-N 439.463 0.326 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2cccnn2n1 1798422385 YSNINHVGNGYZGX-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1799856564 PSCYGODWUQGKIS-OJXGSEEGSA-N 448.900 0.032 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)CCOC1 1800141480 QLQWGGLPIXORGH-YJVQVXSTSA-N 445.944 0.908 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803145936 JSJJXBZLKVAHGZ-IIDMSEBBSA-N 425.917 0.060 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806840600 DVFKUMBEQJVICE-QWHCGFSZSA-N 443.342 0.847 50 20 ICGD Cc1onc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1C 1807361822 HVZHXPOAABSHNI-NQIIRXRSSA-N 448.288 1.000 50 20 ICGD Cn1cncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369905 YUXADDMTOWJZSC-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374815 JRSHHWNLGICRPJ-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1810096372 UJKPDVKGECPQHF-TYNCELHUSA-N 433.292 0.956 50 20 ICGD Cc1ncncc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1810973974 CCIYVZMMHAVRRH-UWJYYQICSA-N 439.520 0.873 50 20 ICGD O=C(CC1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354724 QXKCPRZYKBLZSS-INIZCTEOSA-N 443.334 0.865 50 20 ICGD C[C@](Cl)(CCl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1822864131 ZXOIVNKFIMECEV-GLSBUQGYSA-N 436.365 0.884 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@](C)(O)CC(=O)O)CC2 1826008914 KALGZOFQLDTADQ-YMNVWFMLSA-N 433.914 0.925 50 20 ICGD CC(C)CNC(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826086005 KABFCXQMVXIJEX-GFCCVEGCSA-N 438.554 0.200 50 20 ICGD O=C(CCc1cnc[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055967 LJIYMCQRJCOTLA-OAQYLSRUSA-N 438.337 0.956 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)CCC)C2)C1 1829762769 QXYIWYSXYHXKOX-YCLSTDHLSA-N 427.929 0.709 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1830537155 CDQJRGLIHFKJLB-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830737101 CWINRJGFIJHNII-UZLBHIALSA-N 444.887 0.433 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830737909 KKDKDOABTQDHJD-XLIONFOSSA-N 428.888 0.733 50 20 ICGD NC[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccccc1 1834757515 YXVBZCLYOLXKME-VQTJNVASSA-N 436.984 0.900 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)no1 1834826192 FPXPBTAMMACJRP-QGZVFWFLSA-N 430.299 0.767 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835677194 AWWZVSYEZCHFKO-FQEVSTJZSA-N 440.617 0.576 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnc1 1836780272 MBYPUOHPAFXUBV-KRWDZBQOSA-N 448.568 0.816 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253320 YOGUWOQABXKVPC-PXDRNWIDSA-N 439.585 0.129 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839146486 ZSOYKLOPGBYARP-JLVINJNFSA-N 431.917 0.989 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1C 1839150460 NAUXALGWSFGDKB-MOPGFXCFSA-N 447.363 0.964 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153335 GVXRRIARRXVIDJ-OALUTQOASA-N 446.331 0.692 50 20 ICGD O=C(Cc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198198 WZRSJQHOWHMPRD-GOEBONIOSA-N 431.262 0.166 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839965539 BLTKQRYVJSGYQH-QAPCUYQASA-N 442.310 0.564 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840033781 PVLGTCIOQDTURN-SJKOYZFVSA-N 428.283 0.641 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840386274 QBOGGCSPLRJIHG-VQIMIIECSA-N 428.917 0.028 50 20 ICGD COc1cccc2[nH]cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c12 1843014759 YHUKTELHUZKQSX-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cn3cc(F)ccc3n2)C1 1844066569 DELVZDHZFUHUJO-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)C2=O)cc1 17194463 DZSGTPFZTBQUIG-JOCHJYFZSA-N 448.439 0.460 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccn1 17329291 LHZKDLLPADYRQS-OAHLLOKOSA-N 438.893 0.729 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c2ccccc2c1=O 24106115 OBWLQWDXGKUTRC-UHFFFAOYSA-N 441.469 0.924 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2n1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 45574421 IKGUXAKNGFJJAC-ZDUSSCGKSA-N 429.458 0.161 50 20 ICGD O=C(NNC(=O)c1ccn(-c2cccc(Br)c2)n1)N[C@H]1CCS(=O)(=O)C1 730213029 KFYUSTPZOXGVOC-NSHDSACASA-N 442.295 0.766 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)nn1-c1ccccc1F 732259923 LEWQLEWTORAOEJ-HUUCEWRRSA-N 431.468 0.940 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C 732594420 BADAJSOTRSAMLB-INIZCTEOSA-N 438.488 0.950 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734239765 BSPJBRFJOFPRML-UHFFFAOYSA-N 429.499 0.454 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2cccc(C#N)c2)CC1 735116819 HGMPVHZTJTTWTH-UHFFFAOYSA-N 430.490 0.411 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1OC(C)C 735583949 MCFIVPHBCUCBLY-HNNXBMFYSA-N 430.465 0.965 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 738992405 PAFXOWAKAQSHMW-UHFFFAOYSA-N 425.489 0.882 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 740851846 YMVRTYXRWCJHAJ-UHFFFAOYSA-N 426.539 0.732 50 20 ICGD COCCOCC(C)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 741161445 VTIPSJFMDWKUGW-UHFFFAOYSA-N 427.523 0.795 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 742037004 SNRBYJTXEGRDLL-YPMHNXCESA-N 441.485 0.458 50 20 ICGD CN(C(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1)C1CCCCC1 744395341 VWJAPHLCTQCXAF-UHFFFAOYSA-N 440.548 0.728 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 745835597 QLMGWPROGVWMQW-UHFFFAOYSA-N 445.906 0.856 50 20 ICGD NC(=O)c1ccc(SCC(=O)NNC(=O)Cc2cn3ccccc3n2)c([N+](=O)[O-])c1 746548049 CEUJOYNALYEPMJ-UHFFFAOYSA-N 428.430 0.824 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1nc(-c2ccccn2)nc2c1CCC2 748341395 SKFPXLSKDUQCLD-JOCBIADPSA-N 434.456 0.633 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 751206220 HNYOQYNZGSXMRA-UHFFFAOYSA-N 435.853 0.577 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(Cl)c1 751262043 BPZWRPBYRZUFSO-UHFFFAOYSA-N 436.837 0.726 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 751427084 YBWFBSSZTGUKEI-KBPBESRZSA-N 448.549 0.889 50 20 ICGD COc1cc(CN2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2)cc(OC)c1 755140491 VUMDRGSAEVWHLE-HNNXBMFYSA-N 445.476 0.632 50 20 ICGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755913644 SQMGKYZUVGFXIX-NSHDSACASA-N 436.412 0.875 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)on1)Nc1cnn(CC(=O)N2CCOCC2)c1 756835655 QEPXCDYWEUBQBF-UHFFFAOYSA-N 439.432 0.863 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)Nc1ccccn1 758838943 AHXISOSNPOOZHV-KBPBESRZSA-N 431.449 0.150 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 763205729 DHOWBIDXTRYALO-UHFFFAOYSA-N 441.325 0.462 50 20 ICGD CCn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1=O 763531561 PBQBUUANASPKDU-UHFFFAOYSA-N 440.504 0.166 50 20 ICGD CC(C)CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 763767922 OQKNZWWTACCWJH-UHFFFAOYSA-N 444.492 0.796 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763857791 OQEKBQJPBJHAKH-CYBMUJFWSA-N 443.435 0.315 50 20 ICGD COc1ncncc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 763881462 FRQRILVOFWDVRV-SECBINFHSA-N 438.238 0.801 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 764002861 UDONKGGTMCCVFV-CQSZACIVSA-N 449.460 0.925 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cc(CCOC)nn3C)n[nH]2)cc1 764385169 UPIAMQLFFORPOD-UHFFFAOYSA-N 439.476 0.961 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 764401036 UCFYCDOXKLZUKB-NSHDSACASA-N 426.857 0.604 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 764422168 VXZKPFGVBBSQOY-UHFFFAOYSA-N 430.848 0.898 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cn1cnc2ccccc21 764533270 KDQSMYZSZBZVQL-CYBMUJFWSA-N 426.458 0.422 50 20 ICGD CN(CC1CC1)S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765119036 KZKLIGMRPGGWRX-UHFFFAOYSA-N 429.974 0.665 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769649752 CFAUODLCXCWSHK-NSHDSACASA-N 426.495 0.636 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 770649053 VOIXSLRKDNNHIP-SNVBAGLBSA-N 429.861 0.994 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccc(F)cc1)S(=O)(=O)c1cccs1 772629636 LJMOWOWEKBQFQM-UHFFFAOYSA-N 430.483 0.917 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F 773887377 ATKBYKJWDZRZMY-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 777276725 ZNRGCPZPPLFCIL-IAGOWNOFSA-N 447.492 0.742 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 778437862 MNQYVCCPPJXEAX-HNNXBMFYSA-N 440.522 0.902 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 778443699 WFCSJFWCKGIEIS-UHFFFAOYSA-N 432.474 0.556 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 780973526 BJCJJUBDJSNIJH-UHFFFAOYSA-N 439.494 0.554 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3ccc(OC)cn3)cc2)CC1 782141735 PHWFCXYAOZKJEG-UHFFFAOYSA-N 426.477 0.950 50 20 ICGD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999021 JIWPBTLDOPMLGI-KRWDZBQOSA-N 438.488 0.826 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CCCCS1(=O)=O 784172227 PGJYDCQAUXWJJP-LBPRGKRZSA-N 431.540 0.199 50 20 ICGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)Cc3ccccc3OC)cc2)[nH]1 792799508 ZSTRIDLFTUZFFI-UHFFFAOYSA-N 438.440 0.893 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCn1c(O)nc2ccccc21 793080171 FFTLICIJPSAHRP-UHFFFAOYSA-N 426.433 0.999 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 795178313 YLSWYHNNMDXTJT-FQEVSTJZSA-N 445.501 0.847 50 20 ICGD C[S@](=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 797921657 LMANNSHMBCBJRO-ZQHDKMAOSA-N 432.454 0.497 50 20 ICGD NS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 799983963 SAHXTWCPYWSXPP-UHFFFAOYSA-N 449.489 0.232 50 20 ICGD COc1ccc(-n2cc(O)c(C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)n2)cc1 801363426 BDQYEWDAHDREJR-UHFFFAOYSA-N 445.457 0.898 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nc(C2CCOCC2)cs1 806972757 KGFZVONJRQSYFA-OAHLLOKOSA-N 432.458 0.963 50 20 ICGD CC(=NNC(=O)Cc1nc2ccccc2n1C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814738154 TZTIMWJKAPCQGH-UHFFFAOYSA-N 427.486 0.915 50 20 ICGD CC(=O)N[C@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 839244368 HDEINXSTKOUISB-CZUORRHYSA-N 447.469 0.846 50 20 ICGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 856530428 CSYPXBPIBQKWIA-UHFFFAOYSA-N 444.536 0.457 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)nc2n(C)c1=O 913210671 LKXAUVKVSLNIAB-UHFFFAOYSA-N 449.423 0.879 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)n2nnnc2C)c1 915684997 IUTXRNDCYVWHLQ-LJQANCHMSA-N 435.444 0.872 50 20 ICGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)CC1 916387971 OGMIGMCXMUITRK-UHFFFAOYSA-N 449.519 0.554 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2S1(=O)=O 916744247 PFTOWMYJIKWNKL-UHFFFAOYSA-N 447.425 0.281 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1OC 1251740943 RNMAHIJLDGTVNA-UHFFFAOYSA-N 428.511 0.157 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2F)cc1 1317716328 PGOYTCGNYUOITG-UHFFFAOYSA-N 425.438 0.729 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2F)C1 1777756665 DCUVAUNKMQPRJS-DYESRHJHSA-N 435.500 0.721 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1780703372 ORTAZWHMRLXTRM-GQWAEJPESA-N 437.928 0.771 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)nc1 1780963478 VEAURTKRWAGIJO-FOIQADDNSA-N 425.913 0.977 50 20 ICGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1783245898 IUUCLYCRXLHYSX-CKUKBARFSA-N 437.946 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1783246734 IGJYBWQPVBDBBJ-XPGVTRPJSA-N 441.532 0.955 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783877015 ZOAQUWHUMRMXSG-JLTOFOAXSA-N 436.896 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(F)cc1)CCO2 1783934085 XOCFSMVYRYUDSG-NRFANRHFSA-N 436.484 0.407 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934758 LZLPQNFBNAIUSX-AUUYWEPGSA-N 438.554 0.146 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784095943 QDVNXGNYWCSOOU-XQLPTFJDSA-N 433.933 0.481 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1785300167 UXVXQVLSGRESSA-NRFANRHFSA-N 436.484 0.651 50 20 ICGD COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785307232 VANJPOWCFLEQRX-QAETUUGQSA-N 425.913 0.602 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CN)c3ccccc3)[C@H]2C1 1786925715 PCENVWMUBMFBRK-YRPNKDGESA-N 445.564 0.082 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1790694234 HZXSLKFBQQGJCM-OKKJGQSOSA-N 433.459 0.137 50 20 ICGD N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795736872 MDGCJNCPAXENCB-JHDGKUDLSA-N 447.300 0.074 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2nc(CO)[nH]c2c1 1796191108 ZUUCGQBGQBCSMD-BCDXTJNWSA-N 448.288 0.301 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2snnc2c1)c1cccc(B(O)O)c1 1799194194 PBZQJLNJZMZAQG-MUJYYYPQSA-N 437.290 0.332 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1799277267 VJJYWNBICHFGRS-YDXZUZSKSA-N 431.276 0.614 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-n2ccnc2)ccn1)c1cccc(B(O)O)c1 1799457358 GZPQNZMZLZIZHW-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800638977 FQGSEBCLRQRQRA-ZWUHOBOKSA-N 442.310 0.773 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802079060 RIGCRTLKPFJONE-FWCWNIRPSA-N 426.853 0.006 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1802896623 DHMNHWOKJLGVBY-SQWLQELKSA-N 435.912 0.951 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1804304361 WLJRJOHOENJKRX-BTTYYORXSA-N 431.493 0.526 50 20 ICGD O=C(Cc1cncnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804647644 HZYUZVHAFVRMOT-UGKGYDQZSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cocn2)[C@H]1c1cccnc1 1806016993 IQAMJIGCZUSEJC-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD COC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806375216 SIGWEYMNTZHZPF-DYESRHJHSA-N 439.277 0.034 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807360329 KJCMVSXRZUXMMV-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD Cc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817470963 NXKJDCVAEDSFHB-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2 1819472863 LTGYJXLXSZPJFO-INWYIAFRSA-N 425.294 0.923 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccnnc1O 1820053156 ZVWCUMPNLULQBA-INIZCTEOSA-N 436.237 0.205 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cncnc2)[nH]n1 1822410718 REKARNNFIYZFMI-INIZCTEOSA-N 428.497 0.808 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322976 XIHVSOQOFDKVHW-ZJUUUORDSA-N 426.882 0.234 50 20 ICGD O=C(c1cc(O)ncn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050316 MKAAFOVBKXVLRG-IBGZPJMESA-N 438.293 0.409 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923855 YKVATUGPBDSTOD-KBXCAEBGSA-N 444.536 0.430 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1829859220 BYRNEFCCZSNMMA-WBAXXEDZSA-N 438.352 0.594 50 20 ICGD COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724629 ADOBWNLAAYBBCF-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1830724677 APBXUCDADUOCHF-NLDJYOPPSA-N 446.928 0.022 50 20 ICGD CC[C@H](C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831052491 RUGOJACVASNAIJ-YCRPNKLZSA-N 433.509 0.191 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cs1 1834822391 KREZLSNCQBJPAG-HNNXBMFYSA-N 433.328 0.580 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1834856538 PTSLIOHIWAIIPO-IAGOWNOFSA-N 425.309 0.632 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100935 BGCJXWGLHYDTEH-CQSZACIVSA-N 442.904 0.757 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)o1 1836019354 OCZYDKIXHWZSEZ-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1)[C@H](F)Br 1836412836 XVQVTVWPWZYOGM-HNNXBMFYSA-N 431.310 0.540 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837715365 MLLAHQLFPFRWMB-KRWDZBQOSA-N 441.517 0.239 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376869 LGLQLCGDJKHLMR-SUMWQHHRSA-N 443.298 0.426 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838509200 AGRBUNCJBJOAAX-BLLLJJGKSA-N 429.861 0.691 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838644569 PAAYQKCTZHIJQF-ACJLOTCBSA-N 442.310 0.888 50 20 ICGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)nn1 1838832622 WIDAUJWVOFBKEB-LIRRHRJNSA-N 442.900 0.199 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839147175 IJIISHVWNCZQEP-UZLBHIALSA-N 435.912 0.746 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839152799 KXECZIIWEWWTAF-LSLCWXNRSA-N 448.347 0.514 50 20 ICGD O=C([C@@H](O)c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197375 SKKSCCILHUDGJB-XEZPLFJOSA-N 435.246 0.460 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839716803 CUNDLJJZYAESLQ-DYVFJYSZSA-N 429.315 0.431 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840030551 PDZHHOIBWSCEAQ-IIDMSEBBSA-N 432.359 0.711 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1840069268 XZBZSTOPUFOSJS-UTKZUKDTSA-N 440.924 0.602 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190004 XNDZAVICAQRMFB-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414265 UEVFIXORRSBWGR-OAHLLOKOSA-N 426.366 0.852 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844763200 HFBLIIGIYQHAAD-UHFFFAOYSA-N 441.400 0.734 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)C1)NC(=O)NCc1ccccc1 1846738473 CMFRMNQBQRVAKN-RUYXUALKSA-N 441.532 0.428 50 20 ICGD CC[C@@H](C)N(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727227628 CLYNXFZYPGSQNN-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728386695 ILPCAGAODSUGJE-HNNXBMFYSA-N 445.563 0.232 50 20 ICGD Cc1cccc([C@H](CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)NC(N)=O)c1 728846074 RPVBKPOQYDXDPP-KRWDZBQOSA-N 425.493 0.949 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 729452289 AZFZBJKSRLLZEF-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2c1=O 730204728 ADENOUCZCJHOSF-UHFFFAOYSA-N 425.420 0.984 50 20 ICGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 732045089 BOTIXOVQLFRPFB-UHFFFAOYSA-N 449.514 0.820 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 735631321 YWXNJGUWCKLHRP-IBGZPJMESA-N 438.440 0.313 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 744394991 NMSHIOIFTJYEMH-AWEZNQCLSA-N 427.546 0.533 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 744517931 UXWMHSGOYHHURC-UHFFFAOYSA-N 442.453 0.617 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 744518013 YAFRTKHAZHVULR-UHFFFAOYSA-N 442.453 0.617 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1=O 744603478 MHVVIUIAVZYKHY-UHFFFAOYSA-N 449.423 0.059 50 20 ICGD NC(=O)c1nccnc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 746013766 OXPHYPABDPXNNP-UHFFFAOYSA-N 428.412 0.898 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 746185188 INUJDYVGPHGBAA-OAHLLOKOSA-N 446.416 0.947 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=Cc1cnc2cnc(Br)cn12 746369085 MLYCPGKVLJRSQG-UHFFFAOYSA-N 425.228 0.330 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)c([N+](=O)[O-])c1 747663615 NVGNSGHIMVRISD-UHFFFAOYSA-N 439.450 0.793 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(Cl)c1 751547119 IUFBNWZVIAGFBE-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl 753094069 MDTVPZFMZXHBMP-SNVBAGLBSA-N 449.917 0.974 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O)c2ccccc2c1=O 754669784 GOLXFYWTKVDTQE-CYBMUJFWSA-N 437.522 0.964 50 20 ICGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)Cc1cc[nH]n1 755269689 NANQPGFTSDCGPE-OAQYLSRUSA-N 446.467 0.613 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 755533951 NOURWRYBQVQDRW-CYBMUJFWSA-N 425.442 0.922 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 756433199 APBOGCMBXOIFJA-NSHDSACASA-N 435.528 0.237 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 756837556 HPOCWBITYHASHY-CHWSQXEVSA-N 445.436 0.894 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cccnc2I)C[C@@H](C)O1 757715849 RHYUFKSDPGVDES-GHMZBOCLSA-N 432.262 0.947 50 20 ICGD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758031266 VRMLCLJXVICBBW-VGGFTTENSA-N 442.582 0.429 50 20 ICGD CCCc1nnc(S)n1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758534376 GAYSDSPZRWHNTL-UHFFFAOYSA-N 426.362 0.346 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2ncccc2[N+](=O)[O-])cc1OC 759294384 MDTZEESSCIQCRC-UHFFFAOYSA-N 425.423 0.819 50 20 ICGD CC[C@H](C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 763042871 CWOHECVCZJZCJV-DYVFJYSZSA-N 432.502 0.794 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 763296580 BSGBWLQAWMYGED-UHFFFAOYSA-N 445.567 0.634 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763549395 ZIWOLHFGWLZPJC-UHFFFAOYSA-N 435.396 0.780 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 763569773 BOGBDZQFCFICPH-CRAIPNDOSA-N 427.413 0.780 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763570804 IBVBJFZQNUDTGR-INIZCTEOSA-N 437.416 0.286 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 763604293 LHCIYQLSDSOZNE-UHFFFAOYSA-N 436.428 0.601 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 763645771 AYEHVACQRJGWHU-UHFFFAOYSA-N 442.472 0.692 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763678644 GICVNPRCHWRTGF-UHFFFAOYSA-N 439.403 0.647 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763680386 GQYJUAULHPJLTD-GFCCVEGCSA-N 432.408 0.964 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)C(C)C)c1 763817569 ORMJRNCEDGRFBT-UHFFFAOYSA-N 427.527 0.525 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763857308 MXUZPQAHJLCKHE-LLVKDONJSA-N 438.437 0.287 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1Cl 764225645 BPFGPVKIMDEOTD-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COCc2ccco2)c1 764229873 CRNNCXXCJQBQFF-LBPRGKRZSA-N 438.462 0.020 50 20 ICGD COc1cc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1SC 764818933 XYJZZVIZXSIEQI-UHFFFAOYSA-N 430.490 0.705 50 20 ICGD Cc1cc(F)cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765117472 FOUIGGDIGLPXPI-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765737234 XRKJVBORIUILSL-UHFFFAOYSA-N 437.500 0.607 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1C 768263351 QFIAUDKLKVMRLH-ZDUSSCGKSA-N 445.505 0.555 50 20 ICGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 770398112 DGWOHIJKYSQETF-CYBMUJFWSA-N 426.485 0.301 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 770537493 RBJWMIZZNBAAOV-NVXWUHKLSA-N 439.944 0.844 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 771931362 YNXFXUGBBRVKOY-VIFPVBQESA-N 436.284 0.217 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 771958219 ODYLBLTXFDIPMG-ZSEKCTLFSA-N 446.460 0.101 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c(OC)c1 773497559 UQDYEBULTSCIRW-UHFFFAOYSA-N 439.432 0.696 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 778291944 KUAUWVHRLWYLFD-UHFFFAOYSA-N 430.494 0.969 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 780364411 ATMQRHKDLBIASM-UHFFFAOYSA-N 427.460 0.289 50 20 ICGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 782003732 XLXBEBVLSYENKH-JSGCOSHPSA-N 441.897 0.714 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003735 NFBAFXKPNZTARW-UHFFFAOYSA-N 433.446 0.120 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790070327 NYLOEVWAUILTBN-CWTRNNRKSA-N 436.440 0.356 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 792799010 WKMKFLCAWKLFMX-FQEVSTJZSA-N 432.477 0.445 50 20 ICGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 794864476 DZDGZKRYCLPXFB-UHFFFAOYSA-N 443.463 0.520 50 20 ICGD N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 795821717 BLUJVYKMMHFVQX-LPHOPBHVSA-N 434.408 0.771 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cncc(F)c2)c1 799257518 LTDVIBMSHQUSOH-UHFFFAOYSA-N 437.453 0.651 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 801110730 FMKLGYPLWDDXFG-MRXNPFEDSA-N 426.408 0.340 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(C)(C)C)ccc2F)CC1 801133218 YTJNRKOSJWEGGS-UHFFFAOYSA-N 428.486 0.486 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2C(=O)c3ccccc3C2=O)c1 805818969 OIUSFJIMRIWQEC-UHFFFAOYSA-N 444.469 0.720 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2ccccc2Cl)n(C)c1=O 810592661 OMXAMPKMNSSAHI-UHFFFAOYSA-N 432.868 0.257 50 20 ICGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)Cn1cnc2ccccc21 822211393 VXBUPAOSFYBCQE-UHFFFAOYSA-N 439.476 0.457 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 912839935 PRYRLPKOVUXQPB-AWEZNQCLSA-N 446.485 0.850 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2NS(C)(=O)=O)c1 913465185 KECDGWKCVDNDNN-UHFFFAOYSA-N 440.503 0.383 50 20 ICGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(C)c12 914751519 GTQSPBBDNUVHNP-UHFFFAOYSA-N 449.475 0.963 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)N1CCN(C)CC1 916258457 XJIRBYYCNJGKLC-KRWDZBQOSA-N 429.525 0.794 50 20 ICGD O=C1COc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2N1 920240367 RFABNTWXVWDZQA-UHFFFAOYSA-N 444.469 0.877 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1779028554 MUIJIHSAADEQGT-NRFANRHFSA-N 442.451 0.285 50 20 ICGD Cc1cc[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779370981 AZLXZXVRWPWYDN-VGOFRKELSA-N 440.504 0.763 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877031 MVMKSPQNVVXFLV-SJORKVTESA-N 430.292 0.255 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1 1780507266 IVSVOXUKDMOFIS-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2ccncc2)C1 1780568232 GUTOPNFUGAKHAB-XMSQKQJNSA-N 431.537 0.511 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1783312909 YJIJZKDTQCEVAB-KOSHJBKYSA-N 436.317 0.922 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783534976 UFPXZVBIRHYNMZ-CXAGYDPISA-N 429.315 0.756 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783712565 SPJSPBNRELBNIC-PJIJBLCYSA-N 433.933 0.983 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784383171 VDWCBQVXSZXXGF-QECDCCOMSA-N 425.489 0.514 50 20 ICGD O=C(Cc1ccc(F)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786535773 VTOBQHBETLKCFB-YYWHXJBOSA-N 440.280 0.342 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CC1 1786730469 KQBOMPQYGGMPKL-QBYUYEEZSA-N 449.365 0.294 50 20 ICGD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)[C@H]2C1 1789220633 AHOCNIRHOBSCFW-UHEFJODHSA-N 449.460 0.884 50 20 ICGD CCOC(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1F 1792980076 CTLZLFUZGYDKMW-RBNVPPIJSA-N 442.871 0.805 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1795112963 SWUYLMSGMZURIE-JJLQDPRZSA-N 429.340 0.943 50 20 ICGD Cc1cc(F)cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740709 JEZIZXJKQVFYER-OPMZPASUSA-N 440.280 0.260 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc(-n2cncn2)c1 1796189483 SVALCGOCEIVMNQ-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C2 1796892793 SWIZCUCTIHFEDV-BCMCZCDPSA-N 428.493 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cnccc12 1797565345 ZMCXOXAEUVFERK-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD CC(C)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801010672 PQIJCTWGCATCTB-RMFSNUHRSA-N 437.585 0.069 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803819416 CSZPQYZFJLRDCW-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806386194 DLVJGQFZPBGGMU-OXJNMPFZSA-N 438.488 0.769 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cccn1 1813422933 NMLXOKDWLXBTTK-PBEJRMEISA-N 447.304 0.539 50 20 ICGD CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335504 BACCEVUUUHOATP-WBVHZDCISA-N 442.350 0.533 50 20 ICGD Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cs1 1815354471 DNYHBMRMTOKFLK-LLVKDONJSA-N 443.319 0.401 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793055 JJYQOUWSLFESMJ-USBNGQNGSA-N 446.533 0.774 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)no1 1819795089 HKVHDJULCAFJBL-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD CC(C)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819876278 FHUQDTNJIXBEDO-NHYWBVRUSA-N 430.958 0.971 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)ncn2)CC1 1824653972 VCAGWLYSYHNAOA-IBGZPJMESA-N 438.293 0.409 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825447368 WYWNTVOUXZNINO-BBBLOLIVSA-N 446.371 0.821 50 20 ICGD O=C(Cc1cnccn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056352 XHXXLJKBWWPDEG-NRFANRHFSA-N 436.321 0.632 50 20 ICGD CN1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)C1 1828926121 ZOCQUJHRCGZNQS-IBGZPJMESA-N 428.537 0.480 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1830534968 GLBWXGSBLNPBJX-ABAIWWIYSA-N 433.328 0.639 50 20 ICGD O=C(c1cc2sccc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731885 RGZRCIFTKXLMJU-RDTXWAMCSA-N 427.910 0.899 50 20 ICGD COc1cccc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830736916 XTKDJSRTDGNROW-WMDOEDGGSA-N 438.908 0.765 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831816300 UFTCRYWXURYFRB-XIKOKIGWSA-N 443.342 0.890 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1833529453 BFNLUVMJIXTFQM-MRXNPFEDSA-N 441.960 0.517 50 20 ICGD Cc1nc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)co1 1834797509 QYNIRLCHFQKSPG-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930702 VIQBIPLLDGZCPS-NFBKMPQASA-N 442.321 0.205 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837116667 NEQAWDWYIBIYRW-HUUCEWRRSA-N 428.917 0.601 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1837715523 VGEYOERJAQWGDD-WIRSXHRWSA-N 439.629 0.635 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1839961992 POZZWDCXWVULLK-RLFYNMQTSA-N 448.358 0.531 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)(C1)C2 1840007071 LAIPJKYQFLOUBW-DAWZGUTISA-N 435.304 0.590 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1840034243 GAGFOMIKBBRWQL-DAYGRLMNSA-N 432.359 0.568 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550398 UPJPQJCSHJKYFE-HZPDHXFCSA-N 445.365 0.114 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840677444 KZMPWMYQYZILPK-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1 1842757203 XXRILZPSJFPQGQ-UHFFFAOYSA-N 430.505 0.924 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2)NC(=O)NCc1ccccc1 1845039355 HLZVORUQLASBEB-UHFFFAOYSA-N 439.520 0.502 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1 1846385162 XRQQEEIHURSROU-UHFFFAOYSA-N 429.521 0.764 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)C1 1847554219 XDOAAYPMPMIVOI-RMHZUWNSSA-N 429.477 0.090 50 20 ICGD O=C(CCN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 110690906 FNRKKBOLZIOCIQ-UHFFFAOYSA-N 444.513 0.939 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 115208546 HCGTWZBFOIHXKY-UHFFFAOYSA-N 448.501 0.658 50 20 ICGD CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 205995729 GYFPIDVDJCJORY-JVCXIRSZSA-N 439.424 0.694 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 731879468 SAKBWKJONBLQRD-UHFFFAOYSA-N 430.284 0.806 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)Cc1c[nH]c2ccccc12 732054102 OFZAETHQVYIPGK-LJQANCHMSA-N 427.505 0.571 50 20 ICGD CC(=O)NCCNC(=O)CCC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 734251783 MVROSZIMAAPKAG-UHFFFAOYSA-N 427.527 0.239 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1cnn(C)c1 745919942 XOKQJAARNHDOKT-XHDPSFHLSA-N 449.493 0.353 50 20 ICGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)CNC(=O)c1cccs1 746196834 MAUDGNAHUSBBJG-GDLZYMKVSA-N 437.499 0.594 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)Cc1cn2ccccc2n1 746768977 HVFKNOASPDSIEW-KRWDZBQOSA-N 436.520 0.813 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 747326081 IGPKOQLMJAIHJU-OAHLLOKOSA-N 444.469 0.409 50 20 ICGD Cn1c(=O)nc(O)c2cc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)cnc21 748610137 CVMQPKQVRVGSFE-UHFFFAOYSA-N 425.373 0.787 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1OC 749403910 RTNLQQIHDRHXSC-UHFFFAOYSA-N 425.467 0.179 50 20 ICGD O=C(NNC(=O)c1cnc2[nH]nnc2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 754830759 SUCQSUVPPOSRBH-UHFFFAOYSA-N 429.462 0.602 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1nnnc1C(C)(C)C 754986718 RPFPBSFQMRDTGA-SMDDNHRTSA-N 432.437 0.062 50 20 ICGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1 756685134 NIFAPRHKHLFFFG-UHFFFAOYSA-N 448.509 0.893 50 20 ICGD COc1ccccc1C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 756840727 YSNSUQAOVLXVHE-ZIAGYGMSSA-N 430.465 0.994 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757780523 KBJMHMHVUIFFAB-LBPRGKRZSA-N 440.453 0.652 50 20 ICGD Cc1cc(=NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c[nH]1 757809637 AFZIEOHZWQKYAW-UHFFFAOYSA-N 433.490 0.608 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cc(C(F)(F)F)cnc1O 763572877 VDPMNHBBXBQLLA-GFCCVEGCSA-N 426.307 0.732 50 20 ICGD COc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718168 IHIUWMKMFLHMIV-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 763754430 PZKVXWKDASUVGR-UHFFFAOYSA-N 438.444 0.204 50 20 ICGD C[S@@](=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1F 763803357 LWUGFVCHYCMRSE-SSEXGKCCSA-N 438.393 0.636 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 763999375 WKEXQSROEGSBGP-INIZCTEOSA-N 443.481 0.809 50 20 ICGD CC(C)(C)Cc1nc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2o1 764003078 XSQGDFDVTWKXGD-LLVKDONJSA-N 436.490 0.937 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 764005427 XFSDSMHOAXLLHW-UHFFFAOYSA-N 448.457 0.074 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1 764006183 LUZGPCIQSNLGDJ-UHFFFAOYSA-N 445.432 0.352 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1 764168923 JKBUSGZQOSKIPA-UHFFFAOYSA-N 434.474 0.805 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764398401 HAFUDYSQHYIQRP-SNVBAGLBSA-N 444.370 0.424 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 764404323 IGNMKENGVDJWFZ-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 764428597 HWGONQRNVDZKQR-UHFFFAOYSA-N 425.489 0.130 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765318198 DGGSXQMDMKBBHU-UHFFFAOYSA-N 432.499 0.904 50 20 ICGD Cc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)CNC(=O)c3cccnc3)n2)cc1 768244324 QORNYEJIJLMAEF-UHFFFAOYSA-N 425.474 0.845 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n[nH]1 768274764 ZYGMUGGOQTVCBW-KFMSBCHRSA-N 435.440 0.653 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770356675 SHNKRYAUERFEPX-UHFFFAOYSA-N 448.509 0.924 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNc2ccccc2[N+](=O)[O-])cc1 773655032 LCPIXBPUVFCGOM-UHFFFAOYSA-N 442.432 0.947 50 20 ICGD Cc1nc(O)nc(O)c1CCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202429 SZJQPDBZODGNAA-UHFFFAOYSA-N 438.485 0.765 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNc1ccccn1 777471546 PDMGRNPYPGHSHZ-UHFFFAOYSA-N 435.481 0.977 50 20 ICGD COc1cc(OC)c(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 777632439 JMNXLCXALUVALB-UHFFFAOYSA-N 427.391 0.950 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 785023245 MGYFACKDAJUBOX-UHFFFAOYSA-N 442.432 0.452 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)n1 785236360 SQPDEYGEWATMRB-UHFFFAOYSA-N 425.453 0.289 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cnn(CC(F)F)c2)ccc1Cl 790045119 KEHDXOAFYHKKNZ-UHFFFAOYSA-N 443.841 0.072 50 20 ICGD CCn1c(=O)n(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c2ccccc21 792738088 YKXPBUVLYJPWPN-UHFFFAOYSA-N 431.474 0.521 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 794080637 VBOFHYDFRVXWHO-CQSZACIVSA-N 444.469 0.788 50 20 ICGD CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 794823925 MVKNIQFWDCVDTO-SNVBAGLBSA-N 433.280 0.613 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795838687 YIHLZSIYISRWMZ-GTNSWQLSSA-N 435.399 0.743 50 20 ICGD CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 798337151 BRECJRDOUMBTNQ-PTNGSMBKSA-N 430.324 0.990 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 812730408 HUUMIPJYVPAKOY-ZWKOTPCHSA-N 436.534 0.821 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cnnn2C)cc1 813793544 UEKJXGBRDWRMDX-OQLLNIDSSA-N 434.460 0.786 50 20 ICGD O=C(NNc1ncncc1F)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 814521763 LUPGNCCTUQWHIR-LLVKDONJSA-N 444.470 0.230 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 815693339 UBKISHCDNKLIEW-VIFPVBQESA-N 442.810 0.924 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c2ccccc2c1=O 913573065 OMPDUJIKWGOVNR-UHFFFAOYSA-N 435.849 0.309 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc(S(=O)(=O)N(C)C)c1C 916829412 XIOBKEPUMQXOJA-GJZGRUSLSA-N 440.566 0.814 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)c1ccc(-n2cnnn2)cc1 917727509 JFMKZIKMOLFAKP-UHFFFAOYSA-N 427.446 0.178 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1cccs1 919183433 VULMOFFYSADSBE-ZFWWWQNUSA-N 449.460 0.396 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1779030954 ZWMWMCKYTVKBLX-JOCHJYFZSA-N 449.471 0.270 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1779035996 SPGDLPKGNSUWQV-JLTOFOAXSA-N 433.534 0.272 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780391820 HOUCPIBKPPBQDH-OXJNMPFZSA-N 433.896 0.965 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781543019 DSBYTRBYIYAMCX-UGSOOPFHSA-N 427.841 0.998 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1781866318 DTXJWIDHNIRJLB-YRAWTSPUSA-N 439.896 0.840 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2)C1 1783877118 VGONLTURGAMUBE-LIRRHRJNSA-N 433.933 0.937 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1784923109 XVLBRYLOOSBEKX-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721029 AOAJAVHXKMEUQH-UGUYLWEFSA-N 432.359 0.329 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195531 RULPSHVKXBFDJJ-QAETUUGQSA-N 445.402 0.387 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21)N1CCN(C)CC1 1789795351 WOPWFPKSSLQXKB-XSLAGTTESA-N 429.005 0.867 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1791059187 QTFZVLTUJVKAQE-DUPGQFARSA-N 426.311 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C[C@@H]21 1791290641 GKVJNMMTDVANAP-KKXDTOCCSA-N 438.475 0.931 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1cccc1 1791518132 YTFPMNJPAHZABH-PDWMJMLSSA-N 440.504 0.341 50 20 ICGD O=C(Cc1ccc(Cl)s1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793904300 RZGMITXIDUTNAB-HBCWATKFSA-N 448.737 0.527 50 20 ICGD N#C/C(=C\c1ccc(Br)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795528553 GLPPLHTYZBOQRL-INHOUBOVSA-N 433.306 0.904 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597371 HOPINEQOHYYKGU-APIJFGDWSA-N 429.359 0.889 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3ccccc31)C2 1798443593 LOXLIMAAVDWTES-MUJYYYPQSA-N 447.499 0.987 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1798522400 VMHXUWLMYDRQPO-GNTLTTKYSA-N 434.449 0.318 50 20 ICGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)C(C)(C)C 1799342843 KUZNKACPGCUWEO-XVIXHAIJSA-N 436.322 0.817 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1800757416 PJUWZFQGMJVGDK-MAUMQABQSA-N 449.195 0.715 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806125075 RVLZBHWVUWBKLC-UTKZUKDTSA-N 447.256 0.348 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807116602 WHIHRYDBLKLZJK-LPHOPBHVSA-N 432.601 0.779 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807522110 RDMNZIDDVMHKPY-UWJYYQICSA-N 449.276 0.015 50 20 ICGD CN(C)c1ncc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)o1 1808024752 SMZQPTOQTFOWOY-UHFFFAOYSA-N 440.309 0.579 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@]2(C)CCCN2)[C@H]1c1cccnc1 1808096630 WRLIZZWCCRCSOD-NQSCKRDGSA-N 430.553 0.603 50 20 ICGD Cc1cnoc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811245203 HWOHRWNHMMUESM-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1F)CC2)c1cccc(B(O)O)c1 1815356776 QXFYJXZHYRGEFJ-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1)c1cccc(B(O)O)c1 1817476404 FGCSAOIINQYCDL-QGZVFWFLSA-N 439.237 0.190 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cocn1)CC2 1819795433 MLHXIBXVWITMKQ-SECBINFHSA-N 427.446 0.669 50 20 ICGD N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823004817 WEFYEZASEJHNRR-RDDDGLTNSA-N 433.307 0.586 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C1(O)CCC1 1826080660 BJUIERAPQMXRNU-CHWSQXEVSA-N 437.566 0.979 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826781699 NFEQQXYKSJKDTJ-KRWDZBQOSA-N 432.355 0.226 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826784522 CKIGJARFHLBSEC-MRXNPFEDSA-N 447.565 0.545 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828925601 MNQZVGCEMINJNX-QGZVFWFLSA-N 427.461 0.006 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829877628 HUKUCFWUTANVOJ-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056782 UENFFCCIDWAOSU-SGSZHJQISA-N 444.492 0.127 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1830539025 YXAGTFGDHBXGJD-KSSFIOAISA-N 443.342 0.450 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831868337 YKJXOIPACGDNAR-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)cccc1=O 1833869712 OZNVIEWKEIIXDL-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cncs1 1834293099 GYOHOQFHWDXGKS-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835588456 AOWBZDJFEBIIAD-YRBFXIGRSA-N 434.375 0.847 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836505734 BNVALZMAANPZJZ-KBXCAEBGSA-N 431.320 0.212 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1)C(C)C 1837224683 XHOGESAKTPWNJH-XUWXXGDYSA-N 449.342 0.814 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837689221 RHTRCQKDYINFNJ-GUXCAODWSA-N 425.913 0.883 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868052 QRZNLKDJICBZEE-GUYCJALGSA-N 427.299 0.578 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1 1837958475 YWBRHWQNDODUBU-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839152125 OMZFORYVCPEANE-OALUTQOASA-N 446.331 0.541 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840031942 HPFBGJPFKMRENP-KDOFPFPSSA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1840149790 ACWFBNJIYHESBQ-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840151024 VDDNFDFEHVYIMJ-ACJLOTCBSA-N 448.303 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1840151055 VBHSVFCPNVIIES-RDTXWAMCSA-N 446.957 0.489 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840151988 TUSXNNFJYHBZTQ-OXJNMPFZSA-N 436.896 0.838 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183569 MMNNYDRUYYBMLN-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840883763 IWRQWJFSCSKWAW-SFHVURJKSA-N 449.342 0.817 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1 1841287923 ODXQXHXDYNSXAC-SMDDNHRTSA-N 433.299 0.716 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1nnc3ccccc31)C2 1843415310 KOKJHDMARSKFIX-BUVRLJJBSA-N 448.487 0.769 50 20 ICGD CCOc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)C(=O)NC4CC4)cc3C2=O)cc1 17806212 RCKNMVBBBHXQKA-UHFFFAOYSA-N 436.424 0.926 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)[C@@H](C)N1CCOCC1 729624610 YLMWKFKZSXAECE-RTBURBONSA-N 432.569 0.638 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccc2c(c1)OCCO2 732262732 VYKVQOWZEDDRQC-ZIAGYGMSSA-N 444.492 0.607 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 734676759 ZEIZJBXBJFVFML-UHFFFAOYSA-N 426.426 0.635 50 20 ICGD CCOCCCN1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)[C@@H](C)C1 734684986 CLZRWHSVYLSTEQ-GJZGRUSLSA-N 425.555 0.945 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 735517269 BBQBEGHILQZLJU-LPHOPBHVSA-N 440.504 0.763 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 735834632 XKMUNMRSOYJNNB-OAQYLSRUSA-N 446.529 0.335 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)cc1C 736802519 IVGGIRYFAUXYCC-UHFFFAOYSA-N 431.517 0.946 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nc2nc(O)nc(O)c12 740739749 IEBJPZSXHLVBIO-UHFFFAOYSA-N 431.434 0.112 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1C 744402134 JZHRGXRSJNEXRY-AWEZNQCLSA-N 431.580 0.906 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246224 HQBIUFRPLPAMCU-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 748593337 HPVLWQHHUGHXQR-HNNXBMFYSA-N 439.538 0.334 50 20 ICGD C[C@H](C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748828285 VZMVLRDDHCAGII-QLEYOZMASA-N 448.426 0.851 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)n2nnnc2C)c1 751206117 CSYOVQZCDUNIRT-HNNXBMFYSA-N 443.489 0.413 50 20 ICGD COc1ccc(-n2c(C)nnc2SCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751206905 OEOURUZBIAIBRJ-UHFFFAOYSA-N 444.473 0.847 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 755647404 OUHYJBVLORNCGR-UHFFFAOYSA-N 438.444 0.915 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1-n1nnnc1C 756321940 UCURKVGZJBXOJU-UHFFFAOYSA-N 449.431 0.693 50 20 ICGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 756687959 XBCHDGVJSOLDCC-UHFFFAOYSA-N 441.491 0.904 50 20 ICGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2ccccn2)C1=O 757628476 JXNGYEABIWTQCC-UHFFFAOYSA-N 425.405 0.041 50 20 ICGD CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)Cc2cccnc2)cc1Cl 757725579 RRLSPNYXPGGRCJ-UHFFFAOYSA-N 432.868 0.948 50 20 ICGD Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc3)nc12 758036902 WMXVWHSZOKLSNI-CQSZACIVSA-N 445.501 0.920 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1coc(-c2ccc(Br)cc2F)n1 758047179 VYNWGNDSFHBYHU-SSDOTTSWSA-N 449.258 0.942 50 20 ICGD C[C@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)[C@H]1CN(Cc2ccccc2)CCO1 758803256 JHNWBSNPBXKXEU-DOTOQJQBSA-N 426.477 0.640 50 20 ICGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763571598 NCBLUGQMHYHKNY-QGZVFWFLSA-N 443.412 0.554 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 763662704 ZFHGMXMNTJZMHN-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 763892956 OTFSIOXOXXAHIO-UHFFFAOYSA-N 428.493 0.161 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 763999379 WKEXQSROEGSBGP-MRXNPFEDSA-N 443.481 0.809 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 764004630 JIGGQAUYZSIIME-UHFFFAOYSA-N 436.222 0.518 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 764005326 WSNKKWZXNVYLHJ-UHFFFAOYSA-N 439.472 0.609 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cn1)NC1CCCC1 764126606 NEZZTZHBOORAGW-UHFFFAOYSA-N 448.867 0.701 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1 764185204 JHUKHLMDDCOTAV-UHFFFAOYSA-N 448.501 0.330 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 764230455 IQCKKSMEJCYJTD-GFCCVEGCSA-N 444.473 0.025 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1-n1cnnn1 764239561 OQWKASIIBZVJIR-UHFFFAOYSA-N 434.416 0.412 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 764397704 BIEAKYGOFOKKEX-LLVKDONJSA-N 434.840 0.535 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764513318 HYRJGJPDSKCVGF-PXAZEXFGSA-N 430.442 0.212 50 20 ICGD CS(=O)(=O)Cc1noc(NC(=O)NNC(=O)c2ccc(F)cc2Br)n1 765254964 IASWZWFOBNEMAR-UHFFFAOYSA-N 436.219 0.982 50 20 ICGD O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765738339 JTPSQGWAFKXPKG-LJQANCHMSA-N 436.468 0.894 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 769060119 NSFZPZYHMNICRC-HXUWFJFHSA-N 440.464 0.314 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)sc2nc3n(c(=O)c12)CCC3 769597676 PEOHKWNMVQMHFS-UHFFFAOYSA-N 436.457 0.763 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H](Cc3cccnc3)NC(=O)c3ccccc3)nc21 770982343 GLZVRDFMAQECSH-MRXNPFEDSA-N 432.444 0.948 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 773418085 JNDKZKQMCHPXCQ-LLVKDONJSA-N 430.483 0.596 50 20 ICGD COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 773958467 DBVFILPAURVECH-HIFRSBDPSA-N 429.901 0.455 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 779470231 YQOMYWVBSBMIOV-ZDUSSCGKSA-N 437.478 0.536 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1ccnc(F)c1 781360634 GMRLTDORDJOIRS-UHFFFAOYSA-N 435.481 0.977 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 785715606 HFGSUKWBRKNFTQ-ZWKOTPCHSA-N 440.456 0.304 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2ccccc2S(N)(=O)=O)cc1 788224728 WYGRNZRKJYPAKM-NSHDSACASA-N 428.492 0.153 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789847018 VWYIPRFRSHPLIA-IRXDYDNUSA-N 446.485 0.638 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc(Br)ccc1Br 790218757 VJXUOJVWBGWSNJ-ZCFIWIBFSA-N 441.101 0.802 50 20 ICGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@]2(CCO[C@@H]2C)O1 790496976 QNPNRTXIEGWXLH-VFVRVIDISA-N 425.511 0.602 50 20 ICGD Nc1nc(Cl)c(C=NNC(=O)CNC(=O)OCc2ccccc2)c(N2CCOCC2)n1 794559879 PFUMEDCBSDPCFQ-UHFFFAOYSA-N 447.883 0.925 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 798330007 WRFRLIYGUDKZOW-UHFFFAOYSA-N 440.503 0.112 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2n1 799010548 IBKZCHWOTOJEEO-UHFFFAOYSA-N 432.440 0.872 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)nc21 800749569 WZNDLFGDLJHTQD-ZYHUDNBSSA-N 440.530 0.631 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2)C[C@@H](C)O1 802023002 KRWQPKPHAYERJP-ZIAGYGMSSA-N 433.490 0.768 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)cc1Cl 802071694 KGLDCKRUIPWGPU-UHFFFAOYSA-N 425.833 0.503 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2OC2CCOCC2)n1 806975265 RYZFIFDODGABTO-UHFFFAOYSA-N 433.440 0.983 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C 810396266 UTJZATAYLYPZBJ-UHFFFAOYSA-N 436.421 0.498 50 20 ICGD COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778425 QBINFTPPCCPSNK-LLVKDONJSA-N 444.238 0.509 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)n1 816815249 PZUHDNGHWZPGER-AWEZNQCLSA-N 428.474 0.745 50 20 ICGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 818781528 BQOHSFGONYWYQE-UHFFFAOYSA-N 428.423 0.236 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 912988731 ZTURRZPGURBGPR-LLVKDONJSA-N 432.886 0.617 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccncc1)N(S(C)(=O)=O)CC2 913161547 NEMVVRXQGIOVPN-MRXNPFEDSA-N 448.501 0.809 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 915188160 WKRKLAXUHJRXGN-HOTGVXAUSA-N 441.454 0.803 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 915188860 ZICSDEMRJCMXQX-GFCCVEGCSA-N 432.930 0.787 50 20 ICGD CC(C)(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 917182359 CGPYGHKTOOJALR-VOMSXAGXSA-N 445.563 0.574 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1ccccc1 919184847 XDRZEKLTQYTKPE-WMZOPIPTSA-N 443.431 0.334 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 920298046 XYJFAAADARIXKO-ZDUSSCGKSA-N 428.474 0.633 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)N(C)c2ccccc21 928713272 JSQNRMLLMAZXCJ-UHFFFAOYSA-N 433.428 0.564 50 20 ICGD CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1115886621 BLMWFGNDKOLUCL-GFCCVEGCSA-N 428.536 0.434 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)C1CC1 1337039049 SHORZXOJALQBCV-ZDUSSCGKSA-N 446.323 0.540 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1F 1780616132 PHPKLYZIBVRJGP-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1782239276 YNUKXYPWUPAOTG-YMTOWFKASA-N 434.242 0.983 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1783877036 ZOPAMDVYDQGNBQ-KUHUBIRLSA-N 425.869 0.566 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1785113175 RJQPVYPOJRJMMB-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785503660 NHUKBWHAHXKIOW-UKDOJXAYSA-N 426.853 0.246 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765215 KBXBVFSMCHHEGD-VGWMRTNUSA-N 434.631 0.498 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791183067 IIFXCCQOEOHGQT-QPSCCSFWSA-N 430.343 0.762 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792512860 AWUIPABEPAVBBC-BOWLITCRSA-N 443.460 0.037 50 20 ICGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)cn1 1792870917 YLEPQGTTYCFUOK-MCYUEQNJSA-N 427.299 0.719 50 20 ICGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1C 1795736834 KEFMUNJBOIMJOP-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnnc2ccccc12 1796190914 BGFRCJVWPHJGIN-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1F)C2 1797750674 NBBNFKXNPAOSAO-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1799084316 MAWBBQCNFSUJIL-VZAMPYOESA-N 440.273 0.552 50 20 ICGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)nn1 1799348535 JMQRODQZHPGOOX-DJBIQUGXSA-N 431.262 0.769 50 20 ICGD O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)Cc1ccccc1 1800435272 BETOQYZGTWIYRI-RCJHGTSTSA-N 449.301 0.670 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800759045 FFHHLHBJFWSMIG-FMSGJZPZSA-N 425.283 0.393 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1800976734 FUAAQRIXRDPLQA-YTMVRGIBSA-N 437.880 0.565 50 20 ICGD CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804078370 HDDQHJPGIAKEJM-NQIIRXRSSA-N 439.321 0.896 50 20 ICGD O=C(CCBr)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1806346230 CQZADFGLWSUMCV-AUUYWEPGSA-N 449.305 0.797 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)o1 1807474505 WQHCCKJJNHRSGM-IERDGZPVSA-N 443.508 0.395 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808453203 OZSRLHYDIOZLSL-XLIONFOSSA-N 446.552 0.233 50 20 ICGD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@H]2c2cccnc2)=NN1 1808667827 FVYPTICATITYJE-HONMWMINSA-N 426.246 0.654 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]1c1cccnc1 1813071490 QXCQHCZJWMQJRR-GHTZIAJQSA-N 431.537 0.887 50 20 ICGD O=C(CCc1ncc[nH]1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348062 CKIXKHQRMYEDHX-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD CCc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)co1 1815360527 IHRYSLOINZDMCY-CYBMUJFWSA-N 440.290 0.913 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816803148 ACDMRGMYBQGTRV-MRXNPFEDSA-N 428.254 0.349 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1cccc(B(O)O)c1 1817479417 MLVIQSLAVUMQGB-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1822416658 KDHNCUHIFGWFJZ-HNNXBMFYSA-N 444.496 0.032 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)c1ccco1)CC2 1826083691 PRMVXGPNZJWDJH-LLVKDONJSA-N 433.490 0.904 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(CO)o1)CC2 1826088055 QETCGIUOJBNTTO-LLVKDONJSA-N 435.506 0.827 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050357 OAZJUEBIYCCILH-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]n2)CC1 1827348255 GFTZXIPIXQQOBU-MRXNPFEDSA-N 426.481 0.350 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831079494 YECQOHCXAMVOGW-UFBKIKKCSA-N 441.337 0.640 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)CCC)CCO2 1831639715 VGEOLTUCOIJPDF-WBJHSIEHSA-N 427.929 0.709 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1832363197 OYYUUOKXHZKAKK-FXAWDEMLSA-N 440.899 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3CC(F)(F)C3)CC2)CC1 1833131845 IRUJCMLXETUYNU-UHFFFAOYSA-N 443.539 0.976 50 20 ICGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1)C(=O)O 1834738981 BOSLSKVGZPPAAS-KRWDZBQOSA-N 442.633 0.472 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1836398387 IQWLCNZOVIGKDI-LJQANCHMSA-N 447.411 0.634 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718915 IQNQJGUPPJVVKE-QGZVFWFLSA-N 440.928 0.713 50 20 ICGD COC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836912847 LPYHFXOWAMSCQJ-MRXNPFEDSA-N 432.326 0.261 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)CC)CCO3)nn1 1839145665 BUZGBNHQFRJTFD-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202755 OVUYSLFYQCLAQH-BJEUKDNBSA-N 431.262 0.570 50 20 ICGD CCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839854746 VWBLOJRRBGYLEW-NRFANRHFSA-N 433.509 0.191 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186417 LWLADZQJNYUWIJ-OAHLLOKOSA-N 436.252 0.051 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)[C@@H](O)C1 1841353032 ZMKOVXSVDSCAGT-MJBXVCDLSA-N 431.917 0.017 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CCOC1 1845206823 LTWPOGCDEKPPQD-ORAYPTAESA-N 431.917 0.473 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845223677 CAWQVRBFZFDRDM-UONOGXRCSA-N 433.933 0.719 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)Cc2ccccc2)ccc1Cl 26535124 JRNKKVZFBYOENK-UHFFFAOYSA-N 438.893 0.497 50 20 ICGD Cn1nc(C(=O)NNC(=O)CS(=O)(=O)CCCc2ccccc2)c2ccccc2c1=O 117042487 UYTBFPZRJIADDO-UHFFFAOYSA-N 442.497 0.742 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 725871366 KAHCCFUIGRTXPG-UHFFFAOYSA-N 425.405 0.164 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NNC(=O)CNC(=O)c1cccs1 725872484 POEQVCAZZOGFMK-UHFFFAOYSA-N 425.854 0.815 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCS(=O)(=O)C1 726272115 DPMNZQTZKULYMP-SFHVURJKSA-N 444.579 0.742 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 727350220 UUULUGQNKKQFJP-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 727351373 KSTBHZOHJFLDCA-UHFFFAOYSA-N 427.508 0.311 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 728209000 CMBRROZPUQXJLO-INIZCTEOSA-N 449.533 0.826 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 728213767 PKVVVCRCHBSCSS-UHFFFAOYSA-N 434.478 0.870 50 20 ICGD O=C(COC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 728322126 CLCHOJSJCOUDTK-YOEHRIQHSA-N 431.445 0.166 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)cc1OC 728856081 NKAADTGPBVORHC-KRWDZBQOSA-N 426.473 0.880 50 20 ICGD O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)CNC(=O)c1ccco1 730750756 UIBKDSKFLCNCBX-CYBMUJFWSA-N 447.835 0.715 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC[S@@](C)=O)cc1 735049268 MUWYXLKHUFEBSP-HTWYCSDMSA-N 429.502 0.836 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 743556375 LQTSKCQGUMOQNU-CQSZACIVSA-N 433.494 0.885 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 743678036 IZZWQCOOAPHWCG-UHFFFAOYSA-N 440.551 0.843 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 745916307 BUBSSNNFEPEWRE-DGCLKSJQSA-N 431.409 0.232 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2c1=O 747308706 YSLDYQDGUOSRRQ-LLVKDONJSA-N 426.399 0.997 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753798116 KSTQKUPVNLKURN-UHFFFAOYSA-N 426.495 0.361 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756032759 QPQVSMQMPUQANC-UHFFFAOYSA-N 437.453 0.637 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 756856385 OYAPJKDYDWIIGW-DGCLKSJQSA-N 429.499 0.324 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCC(C(=O)NNc3ccc(C(N)=O)nn3)CC2)c1 757404244 NMIZWNFAAJBKIY-UHFFFAOYSA-N 428.449 0.588 50 20 ICGD CN(CCCC(=O)NNC(=O)C(=O)Nc1ccccn1)C1=NS(=O)(=O)c2ccccc21 758828469 TUYAUNSOTXCZDP-UHFFFAOYSA-N 444.473 0.029 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1NS(C)(=O)=O 763574334 YXXQRQNZUXASFB-INIZCTEOSA-N 448.457 0.292 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 763660589 CLXRONXKGYOTKF-UHFFFAOYSA-N 428.380 0.580 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763809286 USMSIQVBLAXKIM-UHFFFAOYSA-N 434.405 0.266 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 763865830 RCDCJNFKHTYHRE-NSHDSACASA-N 438.437 0.335 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccsc2)c2ccccc2O1 764033937 PRFQSDDWWHNHJJ-MRXNPFEDSA-N 430.486 0.758 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764162754 FZPNZZPIJFFYEZ-GOSISDBHSA-N 438.440 0.249 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 764204042 RKZULTROYPRFBU-CQSZACIVSA-N 447.492 0.681 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 764293297 MHFLSIXJINFZKA-UHFFFAOYSA-N 425.405 0.019 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 764559027 NTFGBQIHPJIHBS-CYBMUJFWSA-N 441.510 0.377 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)CNC(=O)c2cccs2)C1 765383846 UOMVEKRKEUATSC-LBPRGKRZSA-N 426.495 0.651 50 20 ICGD CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 765561829 CWLJZCQZFQAWJP-UHFFFAOYSA-N 438.491 0.764 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C(C)C)[nH]n3)CC2)cc1 765726408 BQOXASGCRZHQDR-UHFFFAOYSA-N 448.549 0.609 50 20 ICGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CS2 766644345 UYBHBQQXYGCCNC-IERDGZPVSA-N 445.545 0.046 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 771933884 KQRTYSHLIIWYGS-SNVBAGLBSA-N 435.886 0.367 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cnn(Cc2nnc3n2CCCC3)c1 772640839 OPUZXUXXZZNVAK-INIZCTEOSA-N 438.448 0.852 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1COC2(CCCC2)O1 773447109 FUTQZNIRDBFEQG-CYBMUJFWSA-N 425.511 0.918 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)nc1 775461877 UMYLSLZWRQUIGB-UKRRQHHQSA-N 442.542 0.374 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCOC[C@H]2OCCOC)c2ccccc2c1=O 777273620 CPTUTEIXUZHYKI-HZPDHXFCSA-N 433.465 0.181 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)NCC(=O)OC)c1 779721232 NFNNADPCITUMGN-UHFFFAOYSA-N 431.540 0.699 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNc2ccc(S(C)(=O)=O)cc2)c1 783071566 MRFKDLCDXZXLGX-UHFFFAOYSA-N 447.502 0.870 50 20 ICGD CSC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 789813537 KABSQZDCPBLAIS-UHFFFAOYSA-N 426.564 0.344 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nn1-c1ccccc1 794063278 DTQOLEKCEARCPS-UHFFFAOYSA-N 436.428 0.659 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)n1 794080872 YXTXTEGLZIAWJD-QGZVFWFLSA-N 448.501 0.881 50 20 ICGD NS(=O)(=O)c1cc(C(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)ccc1Cl 794498272 RXOIFBSJGSDFPZ-LLVKDONJSA-N 434.927 0.588 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNc1ncnc2[nH]cnc12 810423110 LMCOBAXILQOREK-UHFFFAOYSA-N 426.256 0.537 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=C1C(=O)Nc2cc(Br)ccc21 812456066 NKWBINGQAHKMGQ-UHFFFAOYSA-N 425.224 0.610 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccccc2O)nnn1CCOc1ccc(F)cc1 815563561 HCGBDKHNOQOORF-UHFFFAOYSA-N 442.407 0.910 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc(C(=O)OC)c1 815564977 ZBFIICCKTUZDFM-UHFFFAOYSA-N 439.428 0.975 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 824873212 JNNZMRZZGNNRHW-IYBDPMFKSA-N 439.472 0.914 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)[C@@H]1CCS(=O)(=O)C1 914717475 MFXRUZSTEPZVGO-VLIAUNLRSA-N 434.518 0.478 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOc3ccccc3)nc2)CC1 915894979 IPGOJKILAPFPTR-UHFFFAOYSA-N 434.522 0.723 50 20 ICGD CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cs1 916123898 MTANDSOPGIPZDQ-UHFFFAOYSA-N 428.474 0.988 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1 917361828 YOWNQSGVYPQKNU-UHFFFAOYSA-N 433.412 0.829 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1csc(N2CCOCC2)n1 918775783 CCGLLXXRFODDCW-UHFFFAOYSA-N 445.505 0.187 50 20 ICGD C[C@H](CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Cn1cccn1 919779355 SGDNATGAPJNWQU-OAHLLOKOSA-N 434.522 0.948 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1778786758 IGXDBWPSRNLOJN-RLCCDNCMSA-N 426.297 0.117 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2)N1CCN(C)CC1 1781097444 ONNJSFGAOWNDBU-TXPKVOOTSA-N 445.402 0.483 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 1782021578 OTHKMHMFAZKEOL-DUXQTRJFSA-N 442.321 0.061 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1783666901 NRNDEFKNQJTPCQ-VQIMIIECSA-N 436.933 0.140 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937056 FEKJCJITGZSPLH-HRAATJIYSA-N 449.577 0.765 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783938118 VAXRUGHIMCHJEW-NRFANRHFSA-N 436.484 0.651 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1783974857 VZBCOVCRIAICOB-DGTMBMJNSA-N 429.319 0.245 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)OC)C3)[C@H]2C1 1784085719 PDVIIAIODRRSBP-NQCBRMCBSA-N 430.929 0.809 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984819 MUIOGLHJQLTEJI-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21)[C@H](F)Br 1789925488 QLZNEJMVYUMKQG-QCQGSNGOSA-N 434.306 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2)CCC1 1791282601 MFUFFVUMENBLKQ-ZDUSSCGKSA-N 436.472 0.569 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C[C@@H]21 1791291134 NGITYRYIIXMPLS-DOXZYTNZSA-N 442.520 0.529 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1792872253 TZIFHNUNPPWHRF-RKQHYHRCSA-N 437.356 0.184 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1793366160 HFXDQCJOEFMCKY-XGFWRYKXSA-N 439.372 0.288 50 20 ICGD Cc1ccccc1NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795699677 TYVICEBDTCTUKT-FAQVEIGNSA-N 431.537 0.370 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3occc13)C2)c1cccc(B(O)O)c1 1795738799 GHBUYMROFXBOQE-CCWDJLKJSA-N 435.245 0.025 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)[C@@H](F)Cl 1796362073 ZCMQHWGDLXUXBY-DLTLXFJOSA-N 426.876 0.656 50 20 ICGD CCOC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)ccn1 1799413753 QAZSHTURARVMOM-BJWYYQGGSA-N 445.520 0.883 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C1CC1)C2 1801009655 YGWTYQYAVGZBLF-XOIINTDNSA-N 435.550 0.597 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1805289441 UDNLAZKMVIKNJO-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1807047598 JQCCOINOZUEVSQ-DDHJSBNISA-N 444.305 0.371 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Br)[C@@H]1c1cccnc1)C(=O)O 1807210250 XYNBJRYEZSZNFC-UZMCECQYSA-N 441.326 0.934 50 20 ICGD Cc1onc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1C 1807367220 XUGXGZLNIVAEHI-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812352661 CXILGCYRBOKEGE-DOXZYTNZSA-N 449.895 0.916 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070015 CHGMEFBFSDHKAQ-HNAYVOBHSA-N 428.497 0.201 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072287 ABJSWXNHIXBROC-HCDOCMDOSA-N 444.536 0.500 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814768549 DNPDDIVTIIJVBL-DTWKUNHWSA-N 440.846 0.034 50 20 ICGD O=C(Cc1cncnc1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350203 KEGDZCSBUDTMOC-HNNXBMFYSA-N 437.290 0.081 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCN(C)CC2)[nH]n1 1822371783 ZRKIBMSXNYRTGL-GDBMZVCRSA-N 426.949 0.903 50 20 ICGD O=C(CCn1ccnn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822810028 RSNZPYMNCOGAJH-QGZVFWFLSA-N 437.269 0.077 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1825743500 WOOOOZCMZOZOAU-GOSISDBHSA-N 425.298 0.042 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](COC)NC(C)=O)CC2 1826000494 UQNRKNDBABHGNM-GMXVVIOVSA-N 432.930 0.460 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059366 NGBMTRUJQHXUSG-IERDGZPVSA-N 443.353 0.467 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)o1 1827118068 PIZLIFPWJHFYGT-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830358329 AIYLGXBCRDVSIK-NRFANRHFSA-N 445.004 0.345 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834695852 XVTKEYIEZRUAQP-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834706330 VEBXLQMRONJQIB-OAHLLOKOSA-N 447.353 0.088 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835973452 HFDRMBRTENWWRC-GOSISDBHSA-N 444.992 0.844 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850838 DXHGCXZDWSYWDD-BEFAXECRSA-N 437.884 0.053 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1837717936 RVKMXMIXEQRUIE-OAQYLSRUSA-N 449.580 0.707 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1 1838850670 MRSWTUMYWXCFIM-JOCHJYFZSA-N 439.472 0.069 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839151767 CSTUHKCWWDTSCL-JKSUJKDBSA-N 441.381 0.696 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839153321 GRMOTTQQTWJNAI-SJORKVTESA-N 436.292 0.473 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839155206 OCYKMUYUUYDLIT-DOPJRALCSA-N 436.336 0.205 50 20 ICGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199519 PGKGQKYMKIEGMP-WBVHZDCISA-N 437.306 0.950 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n[nH]1 1840031367 NQIJVIKVECYZBN-GTNSWQLSSA-N 443.298 0.466 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1840153033 BFURCVJAHRTGSQ-BEFAXECRSA-N 428.917 0.788 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1840154463 XHCNQSTYAYSNMO-RXVVDRJESA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1840155485 DEMSMEDFACSAEH-UTKZUKDTSA-N 440.924 0.948 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)C(C)C 1840188492 MSNSFHVBPLLYBH-DYVFJYSZSA-N 425.309 0.834 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840434077 QCUNTTVREUYEML-JTDSTZFVSA-N 428.917 0.229 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CC1 1841354818 YQOYEIDPKFRTIL-HNNXBMFYSA-N 444.960 0.342 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C[C@H]2COc3ccccc3O2)C1 1841550885 JNNXJYFGRMKSOP-INIZCTEOSA-N 430.505 0.793 50 20 ICGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 21784661 OQBFJBBSJOOFKY-UHFFFAOYSA-N 433.222 0.150 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1cccs1 725741149 MRNZYJYEJMBOTC-UHFFFAOYSA-N 449.514 0.144 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccncc2)c1 726711498 BBIDOAZLMOAUFX-UHFFFAOYSA-N 433.490 0.303 50 20 ICGD CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 727552806 KWHQWCPSEPQKEC-QGZVFWFLSA-N 443.416 0.749 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)Cc2cccnc2)nc2cc(S(N)(=O)=O)ccc21 728852618 JMIKOKACYUNDSB-UHFFFAOYSA-N 444.517 0.811 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN(C)C3CCCC3)nc2)CC1 729622480 HUQBHLWGXOMBBR-UHFFFAOYSA-N 439.586 0.518 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)c2cccc(C#N)c2)c1 730025258 HJLLKPOIQCOOIK-GFCCVEGCSA-N 444.473 0.438 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 734239740 HDPSLHYNNIYRDO-YFHOEESVSA-N 441.510 0.926 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2nnc3ccccc3c2O)CC1 735116853 INDCLLDABRLYFO-UHFFFAOYSA-N 443.489 0.423 50 20 ICGD COCCOc1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117248 DMZDUIREVYFXHS-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 740912544 DLJPEDFSJVLPNL-UHFFFAOYSA-N 444.404 0.116 50 20 ICGD Cc1ccncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 741881500 BUOYSXSATPCLJU-UHFFFAOYSA-N 432.502 0.805 50 20 ICGD CCn1c(NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742243055 CIFMNKIZSHRDDM-PLTLITPRSA-N 425.445 0.410 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 747492264 NYMRAQBRDVFTMH-UHFFFAOYSA-N 447.517 0.317 50 20 ICGD COC(=O)c1coc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 753949494 MMUSZUWHTMVXSJ-UHFFFAOYSA-N 430.464 0.291 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 757798904 FSKYKWXQBHVFMP-CYBMUJFWSA-N 433.490 0.707 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)C(C)C)cc1 758829660 FKVYHYKTYNHZRE-INIZCTEOSA-N 433.490 0.479 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1Cl 763572694 UMUAQDYKVANTSD-OAHLLOKOSA-N 432.820 0.626 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 763874098 ZOQYRERDOTUVBA-JSGCOSHPSA-N 428.420 0.983 50 20 ICGD Cc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230792 LEGDANSFVYSNRT-VIFPVBQESA-N 435.300 0.090 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1-n1nnnc1C 764281324 SFRGIKLPRJYGBL-UHFFFAOYSA-N 439.432 0.404 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)nn1CCCOc1ccc(F)cc1 764359870 QJBFCQDTLXYQKQ-UHFFFAOYSA-N 443.439 0.933 50 20 ICGD Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)s2)cs1 765059904 FZNYDYAKHKDJAN-VIFPVBQESA-N 436.562 0.860 50 20 ICGD COc1cc(C)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 765376110 MDORKSYEKWOUMZ-SECBINFHSA-N 448.295 0.287 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 765433134 XBBMGZHPUQIMCW-LBPRGKRZSA-N 432.458 0.703 50 20 ICGD COCCOc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765739207 RFICKIZDIPLXTQ-UHFFFAOYSA-N 440.500 0.931 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 767282426 QSRJJFHPBJSPRO-CYBMUJFWSA-N 439.515 0.657 50 20 ICGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 768565973 OAMPKVNTOKKLAE-OAQYLSRUSA-N 427.461 0.975 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 768707059 RNZZWIIMMQHSRA-ZDUSSCGKSA-N 434.559 0.937 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1=O 770403227 SVZOALJMLNOERG-DGIBIBHMSA-N 445.484 0.634 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3C)c2)cc1 771606375 PXWVXROKUZJEJC-QGZVFWFLSA-N 446.485 0.878 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 773267771 WMNZXXLADOQTAR-SNVBAGLBSA-N 433.895 0.764 50 20 ICGD COc1ncc(/C=C\C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 773763239 NWXJDPJQRJTZKJ-FPLPWBNLSA-N 431.474 0.744 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1F 773888285 KENPESSKMAHECX-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 776146618 HKTVDSPSIXPREW-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD O=C1CN(CCNC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)CCN1 781400941 NFWLSJXIKPRKCA-UHFFFAOYSA-N 432.308 0.915 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NN=c2cc[nH]cc2)c1 783378580 IIXGTCWOVZNJLM-KRWDZBQOSA-N 425.445 0.753 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 783934069 IWFKZXGQRIZQTR-KRWDZBQOSA-N 425.445 0.486 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3nccnc3Cl)cc2)CC1 784777679 FFHXRSJTNVVQSH-UHFFFAOYSA-N 447.883 0.507 50 20 ICGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 786415097 WOMYWIHKRFXTKI-UHFFFAOYSA-N 427.413 0.963 50 20 ICGD Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 787544849 YSXOCAZSHRNGMR-UHFFFAOYSA-N 437.445 0.524 50 20 ICGD C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 788290619 HADBSVBBWOKNTO-SCLBCKFNSA-N 425.397 0.856 50 20 ICGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 788409189 UCRFFSRUMAYVDI-MRXNPFEDSA-N 443.547 0.781 50 20 ICGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(=O)c1 790461362 DNDLVSGFZHSCBG-JOCHJYFZSA-N 439.472 0.660 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 793351510 YNSJVDDAWYXPKP-UHFFFAOYSA-N 440.478 0.636 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794764382 WSEGGNMSVVBSNT-UHFFFAOYSA-N 433.446 0.076 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCS(=O)(=O)C1 797429564 WWHWVGUJMAQMOU-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 809982793 PJRCITDGYNDRDV-UHFFFAOYSA-N 429.838 0.679 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3nnc4ccccc4n3)cc2)CC1 810341894 TTWSZBOLTAIVAP-UHFFFAOYSA-N 427.490 0.718 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1cccnc1 810347862 COPAYNALOWDYOA-UHFFFAOYSA-N 427.280 0.513 50 20 ICGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)c1ccccn1 866624302 GYZHSGABGDRUMB-UHFFFAOYSA-N 435.185 0.737 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ccccn1)N(S(C)(=O)=O)CC2 913161860 ZRNZKYVJOIEHHQ-MRXNPFEDSA-N 448.501 0.809 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 915108412 ZYBZRUALQPPGAL-CQSZACIVSA-N 436.490 0.716 50 20 ICGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915638373 MUVKYBNZELHUSL-INIZCTEOSA-N 425.507 0.818 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)C2CC2)c1 915906548 ULEXMVWFWYXBGN-UHFFFAOYSA-N 425.511 0.187 50 20 ICGD C[C@@H]1CN(CCCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)O1 916250069 UYSUPRDMVYVXHE-ZIAGYGMSSA-N 426.543 0.423 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C 921165055 DTCWSRPUWVBILV-RGEXLXHISA-N 437.566 0.352 50 20 ICGD C[C@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 1331679573 ISNSMRWYVCGHCX-CQSZACIVSA-N 426.543 0.309 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1777980394 JBJBBPBLDGXMAX-APNQJHFZSA-N 433.347 0.731 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3ccco3)no1)CCO2 1783933994 QSQYVVCTUFSGOW-OAQYLSRUSA-N 445.476 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1783934283 CLNHULZCIPVAPO-GCJKJVERSA-N 430.505 0.193 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935968 YZPJEHGINNDENS-QFIPXVFZSA-N 448.568 0.843 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]2C1 1783966972 NONZBFLSIJEKNY-AICCOOGYSA-N 430.343 0.688 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783966974 NONZBFLSIJEKNY-MRLBHPIUSA-N 430.343 0.688 50 20 ICGD O=C1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)CN1 1788140351 NXKZMRAEBDQJDA-INIZCTEOSA-N 435.289 0.640 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801476 LCUQWTGVWCXPRN-NRKLIOEPSA-N 445.402 0.385 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccccc3=O)C[C@@H]21 1791255548 UJDFRRBHVZDJRQ-HMDCTGQHSA-N 425.913 0.643 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1792868046 ROOWDYMHPDUZJH-MPTYRVRUSA-N 432.359 0.329 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1795113059 WJMQSPMCZGRWSN-GNXNZQSNSA-N 438.282 0.423 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 1799221588 PWFZGOYXAQCHSX-APIJFGDWSA-N 444.444 0.908 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1800332145 AWEHPCOWEBBEEV-STNLWOQDSA-N 446.410 0.570 50 20 ICGD Cc1cccn2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c12 1801152661 UURSCWXQXNZKJE-REPLKXPHSA-N 432.289 0.888 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807369229 CMYVGVXURZOUBB-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807608734 GSQUKGGJMSRKBH-XNRPHZJLSA-N 436.314 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809507455 BLJWUWYCRKOQKQ-YIOZNXECSA-N 438.488 0.171 50 20 ICGD Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cccc1=O 1816315388 ZASSCCFMIKCYCJ-KRWDZBQOSA-N 449.276 0.408 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccncn3)sc2C1 1817434860 CEJVUWBFUNDCPE-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2 1819796752 DKOWCRPUTXNBEP-JMCQJSRRSA-N 426.861 0.902 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)sc2C1)c1ccc(B(O)O)cc1 1824651572 VCMPNFNWYQMUEI-KFZJALRRSA-N 441.343 0.924 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)sc2C1)c1cccc(B(O)O)c1 1824651879 ZBYPXWYPUXOPSC-DLTLXFJOSA-N 441.343 0.924 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1829851066 OLRCIMLNXUCYGW-PBHICJAKSA-N 434.331 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829867867 ZWRPKRJEIMKREA-RLFYNMQTSA-N 448.358 0.531 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719721 IOUDJQPLHJMRFF-MGPUTAFESA-N 448.944 0.555 50 20 ICGD CN1CCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830727743 CTUZWBUTXBOPSE-NQIIRXRSSA-N 437.924 0.349 50 20 ICGD O=C(c1n[nH]c2c(F)cccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731646 NDNKIUWSYQZNMY-KUHUBIRLSA-N 440.859 0.372 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)[nH]n1 1830732692 VOALYLCWTYDOQK-KUHUBIRLSA-N 428.917 0.377 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1831639615 DKDSPMKVTWFELW-IFXJQAMLSA-N 428.917 0.459 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccccc2=O)CC1 1831871273 OHTMENNHAKFWJU-IBGZPJMESA-N 445.564 0.841 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)on1 1832573507 OSUAGRWSDMRQKY-DYVFJYSZSA-N 430.299 0.765 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cc1 1833313081 UVDMNHCXMNSKEF-SFHVURJKSA-N 436.940 0.570 50 20 ICGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)N1 1834589664 LELWFONKAIZYMK-UKRRQHHQSA-N 433.322 0.527 50 20 ICGD NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1836048083 IMRPPSCDHUDJKF-OAHLLOKOSA-N 426.880 0.295 50 20 ICGD Cc1ccc2oc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc2n1 1836263688 KYIMQYWDOXNBLW-MGPUTAFESA-N 437.880 0.806 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837305435 AGUIEGKWVNZTGR-NFBKMPQASA-N 442.321 0.205 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ccncn3)CC2)CC1 1837920182 GRMHSYNUWFWDFT-UHFFFAOYSA-N 438.293 0.082 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838168777 GNWJXSLBLRMNRF-KZULUSFZSA-N 433.839 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCn3ccnn3)CC2)CC1 1838786343 OKAGJUQPFZFFCD-KRWDZBQOSA-N 427.933 0.921 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839153286 FJFMSIYKPJQPNA-MSOLQXFVSA-N 432.304 0.626 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839963257 FZQBYBZTAZKMQV-KBXCAEBGSA-N 446.342 0.239 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840031188 IDDXOMXZOZSQTH-YVEFUNNKSA-N 429.267 0.702 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840036487 LAPCLELXBDTBGL-GUYCJALGSA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840152439 IEODFXMSCPVAMC-BEFAXECRSA-N 437.884 0.053 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347764 DGDZROKGKQXQDQ-KGLIPLIRSA-N 431.917 0.425 50 20 ICGD O=C(CCc1ccc2c(c1)OCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010765 BBTMWYHWVIRURO-UHFFFAOYSA-N 436.273 0.545 50 20 ICGD COc1ncccc1CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263800 XAKCHSJPZIFEHH-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ccn1 1844264089 CIJLPOKYVPNZRK-UHFFFAOYSA-N 437.460 0.169 50 20 ICGD COc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1OC 1845423115 CIMIDBRPMYWJQI-UHFFFAOYSA-N 442.252 0.654 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)cc21 1847566351 XRRISNOEDBPLBT-BQFCYCMXSA-N 443.891 0.912 50 20 ICGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(F)(F)F 115502822 PCGUCLOTCGXWBW-QGZVFWFLSA-N 438.366 0.268 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728377173 DTWZOQCOFAKNQI-JSGCOSHPSA-N 443.547 0.129 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 728945728 HENNWEOERDIILP-KRWDZBQOSA-N 447.517 0.612 50 20 ICGD Cn1cccc1C(=O)NNC(=O)CC1(CC(=O)NNC(=O)c2cccn2C)CCCC1 729836372 ANHRFMKTZHPEKQ-UHFFFAOYSA-N 428.493 0.926 50 20 ICGD O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)NNC(=O)c1cccc([N+](=O)[O-])c1 732324047 QMVZPPDEXCOOHM-OAHLLOKOSA-N 428.405 0.748 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)COc3ccccc3F)ccc21 735646379 AMODDGBKBRGWGR-UHFFFAOYSA-N 428.420 0.691 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 740852371 XVPBGWUVTURGQC-CYBMUJFWSA-N 444.579 0.909 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741185739 QDMBRKKMLRGFLY-OAHLLOKOSA-N 428.445 0.474 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(OC(F)F)cc3)cnc2n(C)c1=O 743833277 NSVQFBGOWAGKFB-UHFFFAOYSA-N 434.359 0.700 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)N2CCc3ccccc3C2)c1 745050257 MBPNJJLMZYVMQJ-UHFFFAOYSA-N 435.440 0.630 50 20 ICGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 745280409 WTNJBGRLDFMUQH-SGTLLEGYSA-N 430.461 0.746 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCC(=O)NCCO 746226314 LYPYKRXHVCFETI-ZROIWOOFSA-N 444.879 0.211 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 746594032 VZAHEBUNAYLLOP-UHFFFAOYSA-N 432.506 0.585 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc(Cl)cc1Cl 748110630 ANVHRYLHSLMBEL-UHFFFAOYSA-N 425.294 0.599 50 20 ICGD Cc1cc(NC(=O)NNC(=O)COc2ccccc2C#N)n([C@H]2CCS(=O)(=O)C2)n1 755536687 UFHATVIXEKGVJP-AWEZNQCLSA-N 432.462 0.655 50 20 ICGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 755871252 BYBOPULNSYTQQD-UHFFFAOYSA-N 445.567 0.401 50 20 ICGD O=C(NC[C@H]1CCCS1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757255779 WZSDNJSHHPYZSD-CQSZACIVSA-N 428.536 0.547 50 20 ICGD Cn1nc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 757741880 FPLWXDMXZZIGDH-UHFFFAOYSA-N 436.675 0.558 50 20 ICGD Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758512209 JFZHQVYYQOBUGY-UHFFFAOYSA-N 432.300 0.824 50 20 ICGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1cccc(Cl)c1 762385214 RMZVIXHBBWWFEH-UHFFFAOYSA-N 438.849 0.142 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763569750 BHEABPQLIBJWNW-YVEFUNNKSA-N 442.428 0.586 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 763673621 HWODJTVMFAFNPN-UHFFFAOYSA-N 436.472 0.475 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 763682369 RQOSOFUMYFABLI-UHFFFAOYSA-N 435.458 0.654 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cccc1N1CCOC1=O 763807792 GKCSKLHVGXHMFU-UHFFFAOYSA-N 437.412 0.988 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)n1 763884195 CSQJCRSTGSCYGF-UHFFFAOYSA-N 438.444 0.292 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccccc2)n1 763917527 VUQYJJVQAVZTMM-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2C1 763940323 FUVPBWWBMFEXJQ-JTQLQIEISA-N 436.515 0.920 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c(C)c1 764286226 HVGILCUGNOVUSC-UHFFFAOYSA-N 445.428 0.964 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)NC(C)(C)C 764297539 UZLUKCWFRMKTDM-UHFFFAOYSA-N 436.494 0.503 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)ccc1F 764350023 YDWIDJPMSDULAV-UHFFFAOYSA-N 433.787 0.869 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 764400399 PSMFMWMWFZHKPF-OWCLPIDISA-N 436.509 0.433 50 20 ICGD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427365 YZIHJDMWQHASQJ-IRXDYDNUSA-N 427.461 0.619 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC 767929420 XUUSDFWMFLHIKL-UHFFFAOYSA-N 437.430 0.172 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1 769194497 DBEMLJZIGONDDQ-ZDUSSCGKSA-N 440.478 0.583 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O 778436720 ORMTVCAEMMYNJK-UHFFFAOYSA-N 425.486 0.549 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1-n1cnnn1 781772379 IYYMIBDUOAFHSU-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782832096 LGYQVYQYTKTEER-UHFFFAOYSA-N 434.474 0.821 50 20 ICGD COCC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 785705322 IVCITTKVPNEDMC-UHFFFAOYSA-N 439.534 0.604 50 20 ICGD CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cccc21 789732975 WERDDUXXYAFNIS-MAUKXSAKSA-N 440.456 0.998 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1[N+](=O)[O-] 794825728 XKQDZRQGKUHRPE-VIFPVBQESA-N 449.283 0.376 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 802566618 XZIOFDFZDWBEHA-HNNXBMFYSA-N 430.486 0.501 50 20 ICGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 806974907 YQTKVGSRYGOEPK-UHFFFAOYSA-N 436.402 0.916 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)c1 806978099 MHVORCSSNTUUOG-UHFFFAOYSA-N 447.249 0.513 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c2ccccc2c1=O 807540064 NSBKFFZOSAOCQX-ZDUSSCGKSA-N 442.398 0.141 50 20 ICGD Cn1nc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C1CC1 810385541 SYVOVMDRERMTTI-UHFFFAOYSA-N 439.520 0.596 50 20 ICGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 810417695 NPCVLHDMSBVQBN-UHFFFAOYSA-N 439.803 0.832 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]nc1-c1ccccn1 810592962 RRACTLQUZDWESM-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811103875 NPCJTCVJJVEMCS-UHFFFAOYSA-N 438.487 0.392 50 20 ICGD CN(C)c1ncc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 814710434 NYXPAYZXIPGFFN-UHFFFAOYSA-N 446.533 0.646 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ccc(-n2cnnn2)cc1 822747420 YAIJAVKRLVOWSA-UHFFFAOYSA-N 447.502 0.583 50 20 ICGD Cn1cc(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(=O)n(C)c1=O 839388587 KDZAYNCRFCUKQK-UHFFFAOYSA-N 444.455 0.550 50 20 ICGD CCC[C@H](C)N1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 917982138 OJSPTAVGNFBNLO-VBQJREDUSA-N 433.461 0.554 50 20 ICGD O=C(CNC(=O)NNC(=O)COc1ccc(Br)cc1)NCC(F)(F)F 918235606 QOOJEAYRKCTVQF-UHFFFAOYSA-N 427.177 0.837 50 20 ICGD Cn1c(CC(=O)NNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nc2ccccc21 921302212 VELUNITZBGARQE-RFUYNDQBSA-N 430.534 0.989 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1341797596 WKAXTZDHEFLJCS-SCLBCKFNSA-N 427.479 0.141 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825125 CUAFBFYGMVKVNW-SJKOYZFVSA-N 437.298 0.599 50 20 ICGD Cc1[nH]ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778298764 FXBYBCLLNXWTMM-DENIHFKCSA-N 425.294 0.444 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779293855 FIDADRRBJVGXPI-KRWDZBQOSA-N 425.518 0.473 50 20 ICGD COc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c1 1779704880 GCWMCLPSSUGICV-XMSQKQJNSA-N 447.536 0.591 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccnc4ncccc34)C2)C1 1782337518 RBEZTGMOKWMCGA-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1783534447 UXTLOGZDNOBNOV-SJKOYZFVSA-N 425.283 0.633 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1783965830 VBLPBVYGPNIZMU-UGUYLWEFSA-N 440.338 0.859 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804693 FQGINSRCUIPOBD-XUXIUFHCSA-N 442.310 0.065 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cnccc2[nH]1 1788417778 OZEJUMDCRWGSAD-XERREHJYSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(F)cc(F)c1 1789640182 CYUJNOIJWQPJEH-GKCIPKSASA-N 444.243 0.552 50 20 ICGD Cc1noc(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287978 JIYFASJACNZCJR-SZMVWBNQSA-N 435.525 0.187 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21 1791291228 OZGAEVAIFFCQMH-XEYPJELSSA-N 444.532 0.343 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(c2ccccc2)=NO1)c1cccc(B(O)O)c1 1793493069 AIPCBZCKLAAXBJ-XAPVIXHLSA-N 447.300 0.811 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796297807 YKYNZAOPHDQSBC-BTTYYORXSA-N 443.420 0.459 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C)noc1N)C2 1796892349 XDKAOSSDWZUIAL-BQELMUNXSA-N 427.465 0.951 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)CBr)C3)CC1 1797927713 SOGWRTFGWVYXHA-LLLHUVSDSA-N 443.386 0.820 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)C1 1799342430 JCAUIZKHEWOVRU-AJSWTNHPSA-N 435.290 0.856 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800757894 VNVARZWBVXDLGI-NJMOYASZSA-N 425.345 0.040 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncccc1OC)C2 1800973511 BPSYOVIVFXDRSD-YGTYGHESSA-N 425.913 0.866 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1801008797 BVXWQRCBFBISJJ-BBIADKPPSA-N 441.532 0.453 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCC=C1F 1802209913 SFKZKNQABDXIBA-POXQLVPFSA-N 434.248 0.315 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3cccnc3)c1)C2 1802333262 QZEWVAUJROQBEC-BCDXTJNWSA-N 439.520 0.892 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361879 ILEUGSSFZOVQLU-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(O)ccc3O)CC2)C1 1809980122 ICCNRQXLZDGZMK-UHFFFAOYSA-N 438.289 0.936 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810876167 KDOWNCHHTSHRJL-UHFFFAOYSA-N 438.236 0.321 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068570 NQLGAEUUADRTHA-UEXGIBASSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1813073415 MJGYQYUTSQETHU-DNVCBOLYSA-N 441.492 0.270 50 20 ICGD C[C@]1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCCN1 1815360090 LWKWSFOXFXKTID-JLTOFOAXSA-N 428.323 0.191 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)c1ccc(B(O)O)cc1 1817471280 KMZNPMLGIFJPGH-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCOC2)[nH]n1)c1ccc(B(O)O)cc1 1817475784 UMTVUIOCOAXTCM-YJBOKZPZSA-N 426.282 0.822 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)no1 1824186326 RFGOWMNINHKIDH-SJORKVTESA-N 440.928 0.932 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830353921 MOKPPEGRRNQDSS-KDOFPFPSSA-N 438.974 0.389 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830539528 IBHZJMOXMZMTCG-BZNIZROVSA-N 432.271 0.481 50 20 ICGD O=C(COc1ccccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736058 QTJPHWYSOHZPNO-HNAYVOBHSA-N 430.860 0.261 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830737096 CWINRJGFIJHNII-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830968046 FNYIOXLZTMQZRQ-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831643339 AXJWUONWVSPTOU-IFXJQAMLSA-N 428.917 0.906 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831647841 ZGSOAXPEDUNHLB-MGPUTAFESA-N 441.912 0.873 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831653912 GOOGQTSUYABHQF-LVCYWYKZSA-N 445.004 0.486 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831742201 NGQJDUNUNMDHHP-NHYWBVRUSA-N 433.328 0.639 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832048291 ALKCPTOXENUINZ-PJIJBLCYSA-N 449.907 0.987 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835118194 GXCTVOCKVVWROU-MFKUBSTISA-N 427.509 0.606 50 20 ICGD O=C(CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1CCCC1 1836713338 DXFFRAXWJJDBLS-GOSISDBHSA-N 443.972 0.987 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837691180 IMQMQYYFPYUXSX-FTRWYGJKSA-N 441.912 0.120 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839146785 WLDLDCUTPIAGHN-VBKZILBWSA-N 449.895 0.177 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203339 IOKGHTAGEPENQT-FRFSOERESA-N 437.306 0.950 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840030322 IOTDZYWRYPDXCX-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840030956 BHWCZCNDWLNUHH-SUMWQHHRSA-N 428.283 0.173 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840032174 PPWZDMHRCRKAAL-SJCJKPOMSA-N 428.283 0.641 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1840151295 ZUCNQHREOOICPF-IFXJQAMLSA-N 429.876 0.853 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC3CCCC3)C2)C1 1840183441 FERZFFCLYHJEMZ-QFIPXVFZSA-N 438.569 0.786 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347937 FKQRKXMNTBSBRN-RRFJBIMHSA-N 445.944 0.814 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841657700 XCDWMQSRIOUMRF-INIZCTEOSA-N 444.536 0.048 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1843415215 YRXSAUOHIJQZPZ-JBMOEGQDSA-N 443.504 0.913 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845215799 FRIPIRFKRVKWSD-QWRGUYRKSA-N 438.294 0.766 50 20 ICGD O=C(Cc1ccc2ncccc2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847953969 YQWYKBKORBKUAL-VXKWHMMOSA-N 429.285 0.973 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 16201849 UKVMAERVEZZWFP-UHFFFAOYSA-N 437.434 0.029 50 20 ICGD C[C@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 726260845 OSUSYDODAYRYBU-HNNXBMFYSA-N 439.538 0.136 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726379212 ICNBSTTZVDNTOL-GFCCVEGCSA-N 437.449 0.749 50 20 ICGD COc1ccc(OCCCS(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 727359614 VTVYFHKWKAXERJ-UHFFFAOYSA-N 427.504 0.906 50 20 ICGD COc1ccsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729945571 ZNDJDUYZEAKHSL-UHFFFAOYSA-N 425.488 0.852 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@@H](C)O1 732261830 FSCJIARWVVPRRQ-FGTMMUONSA-N 435.544 0.983 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1Br 732306273 XCSCGFIOBKJMST-UHFFFAOYSA-N 431.268 0.518 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(c2ccccc2F)C1=O 732819742 BHQWPJHKUHZTSB-ZDUSSCGKSA-N 448.480 0.868 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 734239823 FLFCJBJSLZBTEE-UHFFFAOYSA-N 433.465 0.918 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 735116851 INANQAZLAGDGJN-INIZCTEOSA-N 445.501 0.243 50 20 ICGD Cn1cc(C(=O)NNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1 735445125 IPQUNIHXJVZCPL-UHFFFAOYSA-N 437.386 0.554 50 20 ICGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 737755408 DJEMZSIGKUTKAR-OAHLLOKOSA-N 447.469 0.650 50 20 ICGD CN(CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737823605 UBSXUULMZTVMAU-INIZCTEOSA-N 434.430 0.366 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C[C@@H]1CCCO1 742037667 CMKJPWBJGOTNEO-INIZCTEOSA-N 445.480 0.839 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(F)c(Br)c1)N[C@H]1CCS(=O)(=O)C1 743254418 PCTSGLRXFCRALF-ZETCQYMHSA-N 430.277 0.268 50 20 ICGD COc1ccc(CC(=O)NNC(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 744060512 HEDIIHMMGPZUKW-UHFFFAOYSA-N 440.522 0.532 50 20 ICGD O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620414 DXVIGCSSILPARQ-UHFFFAOYSA-N 444.469 0.447 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 745835547 OCTKFNAYSZPUCK-UHFFFAOYSA-N 439.515 0.805 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)c(OC)c1 746228214 MVEUSTILJWMEGQ-OAHLLOKOSA-N 429.433 0.655 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@H]1CCCN(CC(F)(F)F)C1=O 746340432 YMFCJCONNWKINV-NSHDSACASA-N 426.355 0.833 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 746592266 VOIQJZLTUJJQMT-UHFFFAOYSA-N 432.418 0.926 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCCC1 748246632 MTTWMDOMZSANPP-UHFFFAOYSA-N 430.486 0.549 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)n1C[C@@H]1CCCO1 748368935 BUNMRVVFUQVDAN-DTBYZMGXSA-N 449.577 0.624 50 20 ICGD CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1(C)C 753558269 QQDHTCFKHXQRLT-CVEARBPZSA-N 440.522 0.465 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 756775558 IULDQFREDUYFFE-UHFFFAOYSA-N 444.477 0.817 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc(O)c2ccccc2n1 758299092 BMBSTDIGMGORKL-UHFFFAOYSA-N 432.462 0.452 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785208 CQBUNZVKNSQXFU-UHFFFAOYSA-N 425.446 0.735 50 20 ICGD CC(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758839063 IRKYZERMOLFACN-UHFFFAOYSA-N 433.490 0.660 50 20 ICGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nc1 759739500 WMTSDODUWMYONN-RRFJBIMHSA-N 438.506 0.421 50 20 ICGD Cn1cc(-n2cc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc2=O)cn1 760848033 ZEHCAXOWKPWHTP-UHFFFAOYSA-N 440.372 0.097 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1OCC 763120601 WLMKWJFYHXLKFN-UHFFFAOYSA-N 425.467 0.255 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccnc(Cl)c1I 763436948 CFLWARXNAJSHSM-LURJTMIESA-N 443.650 0.535 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1 763530124 PPFGFMBKOGKJIQ-UHFFFAOYSA-N 434.474 0.821 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cc(C)oc1C 763602883 TWZMCWVWUSSGSM-UHFFFAOYSA-N 444.444 0.919 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 763679652 BQYSEXHVSLESBU-UHFFFAOYSA-N 428.401 0.695 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)n1 763912203 SDTVLISEQRAQKR-UHFFFAOYSA-N 447.521 0.487 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(F)cc1F 763917148 PWMNEFBSLDGHEY-UHFFFAOYSA-N 445.342 0.127 50 20 ICGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)c1C 764004779 LUOUEVHXAHCMPZ-UHFFFAOYSA-N 441.286 0.647 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc12 764294120 VHHKQVUWHOSCNI-UHFFFAOYSA-N 425.401 0.443 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1-n1cnnn1 764388464 RQXHISYMPLACQV-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 764394250 QLMBHDYUWDCSCQ-UHFFFAOYSA-N 449.510 0.903 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(F)cc1[N+](=O)[O-] 765734278 XKZFZIIZUOWNCG-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC3CCN(S(C)(=O)=O)CC3)nc21 770341134 LDIXVOPBOAMPQL-UHFFFAOYSA-N 426.503 0.337 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 771191704 QNLWROLWNXIBDX-SECBINFHSA-N 434.400 0.982 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 771230030 HZMJSIVIXQEDHX-OAQYLSRUSA-N 428.420 0.991 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771469549 PTLBAMDCKDNKEE-QGZVFWFLSA-N 449.265 0.709 50 20 ICGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)N3CCN(C)CC3)CC2=O)cc1OC 773658991 QYYYRRPYFGPQIG-INIZCTEOSA-N 433.509 0.083 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 775251846 AJZUCPJMFXEXCY-UHFFFAOYSA-N 428.492 0.620 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 778437713 KDBFMUZNPWFCCX-KRWDZBQOSA-N 445.476 0.134 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 778480637 QSDXGLVVJFIOEJ-UHFFFAOYSA-N 427.377 0.440 50 20 ICGD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967139 RPHQTEFLOQACLM-UHFFFAOYSA-N 426.477 0.843 50 20 ICGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 783506802 PJRRCAQXGMEYOX-UHFFFAOYSA-N 427.505 0.612 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C1 783997807 ZORZOZJQTVKJIN-HUUCEWRRSA-N 443.504 0.513 50 20 ICGD CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784001804 DLXBKUMXBOMPAF-UHFFFAOYSA-N 429.433 0.324 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c2ccccc2c1=O 784293877 ZPRDMBQVFSBJSC-RDJZCZTQSA-N 439.472 0.136 50 20 ICGD O=C(NNc1ccc(F)c(F)c1F)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 784820459 UZQBSYPZZHZKQQ-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD COc1ccc(CC(=O)NNc2nc3ccccn3n2)cc1S(=O)(=O)N1CCOCC1 791248029 GYUNTEDOSNRNOR-UHFFFAOYSA-N 446.489 0.445 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 792033847 NSISOKDDYYWZIK-SFHVURJKSA-N 441.362 0.851 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1 795281494 YDDJSMNATMECHB-UHFFFAOYSA-N 431.474 0.642 50 20 ICGD COc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 802365149 ZKPLQEQOIQKGNM-QGZVFWFLSA-N 436.432 0.808 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nccnc2c1Br 806673831 FFSIJBWLJBKMFX-ZETCQYMHSA-N 431.272 0.483 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978933 JLDCBFHWJYWMNL-HUUCEWRRSA-N 437.456 0.187 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCC2CCN(C(=O)OC)CC2)c2ccccc2c1=O 807525782 RRDZFMZGUBUSJG-UHFFFAOYSA-N 430.465 0.839 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNc1c(F)cc(C(=O)NC2CC2)cc1F 810563502 KVSXEXIXEGRYLU-UHFFFAOYSA-N 425.417 0.674 50 20 ICGD CO[C@](C)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 812444430 AEBLEABAPWYPIO-FQEVSTJZSA-N 439.534 0.603 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(Cl)c1-n1cccn1 815691431 PWEUNYBBFXPBGL-LLVKDONJSA-N 428.840 0.466 50 20 ICGD COc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl 815692245 NAXIQLWMGNGLNQ-QMMMGPOBSA-N 427.248 0.942 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(Cl)n1 817009288 CODPWGAEPLPICH-ZDUSSCGKSA-N 446.938 0.960 50 20 ICGD C=CCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 913435485 KOVSFCAXPIAFBO-UHFFFAOYSA-N 440.547 0.555 50 20 ICGD COc1ccnc(NNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)n1 914762908 AWMZOLOBRMOFQO-UHFFFAOYSA-N 434.478 0.095 50 20 ICGD C[C@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)S(C)(=O)=O 915809023 ZRJOHPONFVBAQG-CYBMUJFWSA-N 428.470 0.639 50 20 ICGD O=C(COC(=O)CCn1cc(Br)cn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919574587 XRHWVTWBICJLQE-UHFFFAOYSA-N 440.210 0.948 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1OC 919714379 NKTBCLJWIANJDO-UHFFFAOYSA-N 435.458 0.298 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCS(C)(=O)=O)cc1 920851031 HBYOCPXTUPCUGI-PTNGSMBKSA-N 445.501 0.502 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1 1318302271 JITNRBBZWUBVHW-UHFFFAOYSA-N 426.520 0.932 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705575 BMHIIQQVJCIEBX-VBKZILBWSA-N 436.896 0.753 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1778091211 LQKSTMLNXIJPAT-ZZLSVPGXSA-N 440.504 0.938 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C2 1778091804 RGYSNHIZEKJVBC-NTXWZOLCSA-N 447.536 0.651 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780742243 DEKUUXOEMIOYJW-NRFANRHFSA-N 425.445 0.148 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)ccn1 1782212125 IXYNPTMJJPCTMR-VGOFRKELSA-N 447.536 0.591 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782567911 KPWZUGLZXDYXEJ-UJAMICLKSA-N 425.913 0.963 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)n1cnnn1 1782599671 GQRFVNHGKNVRBP-WOSRLPQWSA-N 429.319 0.533 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664023 HJOQMCMXGRHSBD-CXAGYDPISA-N 427.299 0.247 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782692148 JBEXPQMVZFFEOV-OPAMFIHVSA-N 446.552 0.107 50 20 ICGD COc1ncc(Cl)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783414282 AFGBZNRRAHXATJ-HPEDKQMDSA-N 432.304 0.937 50 20 ICGD Cc1cccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783932977 NLPPILBMIPFBCZ-FGBWHXJSSA-N 429.521 0.606 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933461 ZMFACTBUHIUUBF-JTSKRJEESA-N 446.552 0.195 50 20 ICGD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933696 DHBOXTHIFXUSQO-IIBYNOLFSA-N 432.525 0.085 50 20 ICGD COc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783934094 XVPHGUHXMMNIJA-HXUWFJFHSA-N 437.472 0.046 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937373 HITJSDIEQHQDCD-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785402233 WZEARPPAVQDLIY-MGPUTAFESA-N 443.928 0.928 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1c[nH]c2cnccc12 1788453680 LCNOVLRDWOPULI-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD CC(=O)NCCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(=O)NN)CCC2)cc1 1791295787 YUUIHOXFWLOEBL-UHFFFAOYSA-N 438.488 0.959 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978516 FEHACJZJODIYNF-MCKBVIGDSA-N 441.887 0.133 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccn2)nc1 1794259628 AMROLHOQOGKZPG-DFGXFYAUSA-N 445.907 0.996 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncccc3c1)C2)c1ccc(B(O)O)cc1 1795734101 BUWOCNJFINDZBF-HATOLVCRSA-N 445.284 0.432 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192221 SRIASVNJMJUPNG-XZANERMPSA-N 442.321 0.598 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1800976843 KVNKJWGZDFHDNK-BAESOJJISA-N 435.864 0.278 50 20 ICGD COC(=O)c1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)cc1 1802230759 FADQHQCMZLMLCV-RMHZUWNSSA-N 428.844 0.976 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)no1 1805523405 VFNCCOXKBSNDNN-HNNXBMFYSA-N 426.901 0.544 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C=CCN3)C2)CC1 1810801179 BVBJHOGSICAPHO-LEBHPONQSA-N 426.521 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)cco2)[C@H]1c1cccnc1 1813071688 UCEVBIAYUBNWQG-IERDGZPVSA-N 441.488 0.727 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813073652 NBKNLGJXFCAKIQ-DYESRHJHSA-N 439.520 0.873 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnc1 1815335775 QTJKHTVZSWAHOW-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD CC[S@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344095 HFWUJZUETQVQRS-WYIRRWHOSA-N 449.363 0.207 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819886515 KHXYEBGNTNTAET-SJKOYZFVSA-N 442.614 0.557 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053295 JCJLTTUEANDEHZ-HXUWFJFHSA-N 429.326 0.126 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827679730 RBPGTBYXDSKFDP-LSPPGFKNSA-N 441.488 0.828 50 20 ICGD N#CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828548003 CJXBGTYKOMFRPN-DYESRHJHSA-N 448.907 0.952 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cn1 1830538070 VCNIFDTZIDFMOD-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538765 PBIFKGFDISAHLM-KSSFIOAISA-N 448.358 0.246 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1830546676 VIDUTMNWLQJKAB-VKJFTORMSA-N 433.343 0.900 50 20 ICGD O=C(c1cc2[nH]ccc2s1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731811 PUZAISASQFEFEP-UGSOOPFHSA-N 427.910 0.899 50 20 ICGD CC(=O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833411945 MMOVHKFMEUVHRN-UHFFFAOYSA-N 437.585 0.546 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)c1F 1833739884 PJTCPLNKJWHRPK-KZULUSFZSA-N 432.880 0.435 50 20 ICGD Cc1nn(C)c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c1F 1834027850 VQFFJAHVPUSJKS-HNNXBMFYSA-N 429.924 0.653 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834400809 VFEUTEUPLXKQTC-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCCC3)CCO2)C1 1834659712 SBLMZAMXKUWURV-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD Cc1cn(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)c(=O)nc1O 1835082842 FSGBZQIWZQMLSM-MRXNPFEDSA-N 443.907 0.363 50 20 ICGD CO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118286 YKNIUPGJYHGOPN-FYHAJLKWSA-N 446.552 0.727 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)c1 1836193841 ZEAGXAJEEATMEH-YJBOKZPZSA-N 443.342 0.679 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836365835 PQHUHMWDQBYSIK-MWTRTKDXSA-N 427.354 0.598 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839102988 ABIDZEIYNLNULV-ZWOKBUDYSA-N 430.977 0.096 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200901 RTTMYTTUGMHUQV-USCZKRCMSA-N 443.335 0.292 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839203305 HTPUQEUINRAWSC-MRRJBJDNSA-N 447.305 0.899 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840036095 DYHILYCFIHENJB-LBTNJELSSA-N 443.342 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840036794 RFGJRBKDDOMSGM-SLEUVZQESA-N 427.723 0.480 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050605 OELWWIQATCUMOH-QDEPRCCBSA-N 435.290 0.701 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840151868 PPKOLGHOPLCSPV-LPHOPBHVSA-N 426.901 0.119 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840153384 MMPGJKCXYBEHTC-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD O=C(CCc1ccccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840545171 XDHBOBXIPLYBAR-XLIONFOSSA-N 428.888 0.814 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840854261 YHKPEFPVEISNPA-YLJYHZDGSA-N 443.617 0.599 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnc3[nH]ncc3c1)C2 1843416265 QMIBIWPIEKCEFX-DHRITJCHSA-N 434.460 0.909 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1844264595 LZDOBZDZAGXYNT-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1846175515 DCLCXRPTXAWVBX-QWRGUYRKSA-N 439.310 0.980 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1846360528 RPNCGAUPGHTPSP-OIISXLGYSA-N 437.924 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@H]1COc3ccccc3O1)C2 1846384001 RSJQNAZPRJINTK-INIZCTEOSA-N 430.505 0.793 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc(OC)c1OC 15792589 HUMBOOOTHKCKLL-XUSGNXJCSA-N 448.476 0.974 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)Cc2ccccc2)c1 22241283 CIYARDZJLYRAGN-UHFFFAOYSA-N 432.502 0.447 50 20 ICGD COc1ccc([C@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N(C)C)cc1OC 726084696 RYLKGIAIKPLMQF-AWEZNQCLSA-N 433.465 0.660 50 20 ICGD O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 726089051 LTZVHIZPPXJPRP-UHFFFAOYSA-N 431.474 0.556 50 20 ICGD O=C(NCCn1cncn1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 726710357 WGAGVMSUXDSMQQ-UHFFFAOYSA-N 432.444 0.681 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2nc(-c3ncccn3)no2)c1 727722168 GDQQACYQAAJTLU-UHFFFAOYSA-N 445.461 0.171 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1 728206232 DBJOSRDLZSMCDT-UHFFFAOYSA-N 439.476 0.646 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nnc3ccccc3c2O)cc1 732259733 JFQPDOSARDAAAW-UHFFFAOYSA-N 429.458 0.726 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1C(=O)N(C)C 734418480 IHHXRPWBTMOAJA-UHFFFAOYSA-N 448.501 0.962 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 741822607 CSHPJMLBJZWALO-UHFFFAOYSA-N 444.469 0.540 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccs1)/N=C1/NS(=O)(=O)c2ccccc21 742611868 FENUJUFASSGPPE-NSHDSACASA-N 449.514 0.143 50 20 ICGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 747610509 DDNIQDFYVURLJP-UHFFFAOYSA-N 427.460 0.283 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNc3nc(Br)cn4ccnc34)nc2n(C)c1=O 750244017 UVYOWLFTAXZKQT-UHFFFAOYSA-N 445.237 0.194 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 753292635 SJYVVBGBJWMCHO-VQIMIIECSA-N 435.440 0.830 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc2c(cc1Br)OCCO2 755447376 WVGHHKNQABTRDV-SSDOTTSWSA-N 437.272 0.311 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755451960 LUMFUNJQZJIPMT-LBPRGKRZSA-N 432.524 0.303 50 20 ICGD CC(C)OCc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756212273 LDXDRVKVGROFIT-UHFFFAOYSA-N 443.464 0.212 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1OC 759121925 QYASYTWJCACGJV-UHFFFAOYSA-N 435.355 0.465 50 20 ICGD O=C(NNC(=O)N1CCN(c2ncccc2F)CC1)c1csc(N2CCOCC2)n1 762413664 BFKUQWYCSUXCKP-UHFFFAOYSA-N 435.485 0.690 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)cc1 763876467 DKHKMUBNPVQQML-CYBMUJFWSA-N 426.429 0.802 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764401157 MGGMPBQQWFQCOQ-UHFFFAOYSA-N 433.442 0.822 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 764427041 XTEWCOXKAPKLEA-QGZVFWFLSA-N 447.469 0.162 50 20 ICGD CCOc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 764817182 OAHXJJBNDIINND-UHFFFAOYSA-N 442.476 0.772 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 766663610 KOMLBGSLIZCDCR-INIZCTEOSA-N 433.940 0.616 50 20 ICGD O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)C(=O)Nc1ccccn1 767196461 OHQHBLJQYWILBH-UHFFFAOYSA-N 445.911 0.826 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 767483760 KZVWNJMRMDXWOA-AWEZNQCLSA-N 426.491 0.210 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 768846917 CZSBUINYNQJMJH-UHFFFAOYSA-N 432.915 0.542 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)cc1C 769784948 OVDOVGOUBDXHAX-UHFFFAOYSA-N 441.487 0.590 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3CCN(Cc4ccccc4)CC3)nc21 770340004 GYPDAIDHBREOGD-UHFFFAOYSA-N 439.524 0.903 50 20 ICGD CN1CCN(c2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)ccn2)CC1 772897768 LTPIOZTVOXUIMS-UHFFFAOYSA-N 430.896 0.564 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 776061492 JMJJPODUPOESMN-UHFFFAOYSA-N 430.446 0.441 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)nc1C 778427033 UACZHSKNTWDXLV-UHFFFAOYSA-N 441.492 0.929 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 778708342 YUFOFVPOXXOLOR-UHFFFAOYSA-N 425.376 0.747 50 20 ICGD CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 780527163 ODIRIQQBQGRGQP-RNODOKPDSA-N 426.514 0.855 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1cncs1 782200331 PEKSWRXTLFUMER-UHFFFAOYSA-N 438.531 0.487 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc(C#N)n1C 782624155 HNTNRBWZIWEFAD-SRVMLKLISA-N 432.502 0.983 50 20 ICGD COc1cc(C)c(Br)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783424885 GGJXHPYPIZUPPB-OAHLLOKOSA-N 434.312 0.903 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccccc3C(F)(F)F)cnc2n(C)c1=O 784831470 PDXDEEQZRCPQBB-UHFFFAOYSA-N 436.350 0.733 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)N1CCN(C)CC1 788164669 FBBOUSSUVMNSNX-HNNXBMFYSA-N 429.568 0.075 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 788224112 RKYJFWDGCXMIAJ-LBPRGKRZSA-N 432.458 0.601 50 20 ICGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 788894977 BBTYQLUFWWGORL-ZDUSSCGKSA-N 427.527 0.528 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 790116796 RALKFTCCPKZGIP-SFHVURJKSA-N 443.485 0.820 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794077418 UXODWFRVJJWJJH-UHFFFAOYSA-N 434.474 0.591 50 20 ICGD C[C@@]1(CNS(=O)(=O)CBr)CCN(S(=O)(=O)CBr)C1 799821100 BZWFOQKZAFVABR-QMMMGPOBSA-N 428.168 0.652 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(F)c1N1CCOCC1 801917398 BNYIYXAVPLALBL-SNVBAGLBSA-N 434.877 0.903 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C3CCOCC3)nn2)cc1 809984193 XZTKXQFWCXSBQC-UHFFFAOYSA-N 436.494 0.020 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1=O 812729486 QGJUAYNNJRIMQG-UHFFFAOYSA-N 445.501 0.577 50 20 ICGD O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(-n2cnnn2)cc1 837087678 JPXKTNQBRYXSKU-UHFFFAOYSA-N 432.400 0.898 50 20 ICGD CN(C(=O)CSCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CCCCC1 894395793 BHJIPVCAECPBMN-UHFFFAOYSA-N 431.522 0.948 50 20 ICGD C[C@H](NC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1cccc(S(N)(=O)=O)c1 916197028 KGTIQTGNWDBUAP-LBPRGKRZSA-N 430.490 0.855 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCOCC1 916254192 MGVSZRQIZPBYPM-HNNXBMFYSA-N 426.543 0.281 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)cc(OC)c1OC 916649848 LTZCWAIPXSQKIZ-UHFFFAOYSA-N 448.480 0.441 50 20 ICGD CC(=O)N(C)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1252123897 YBJMUVPRBQRTCT-UHFFFAOYSA-N 439.519 0.586 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777735130 AGGULPFPLDZIKZ-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778021980 FMHFIHSRBSRTPU-NFFDBFGFSA-N 427.926 0.363 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064642 PZUOHOKEBKVOHS-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD O=C(c1ccc2nncn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1778595847 LJJGTLOFYSYRKB-CZUORRHYSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1 1779031663 VJQYHVOKNJMUOW-JOCHJYFZSA-N 441.463 0.510 50 20 ICGD Cc1ccn(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032289 INTRHHDHNTZLHU-NRFANRHFSA-N 426.477 0.089 50 20 ICGD O=C(c1ccnc(Br)c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779398900 PRYRYJFMVHJGOC-BLLLJJGKSA-N 432.702 0.887 50 20 ICGD CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970371 UWYOOISMAFYAQJ-JOCHJYFZSA-N 431.537 0.963 50 20 ICGD O=C([C@H]1CC[C@H]2CCC(=O)N2C1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781056281 FIWYUPCRNBDWNO-ATZCPQFDSA-N 446.317 0.908 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1=O)C2 1782180062 QETKVSOYBIVSNZ-RZQQEMMASA-N 429.945 0.767 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(O)CC1)C2 1782213982 FTHTZMHBOZLMFR-MMKHEFIASA-N 438.569 0.424 50 20 ICGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21)C(=O)O 1786893665 DWAQFORJLOACHS-YHQUGGNUSA-N 434.331 0.060 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cc(O)nc(O)c1 1787295294 CYTIGCNVNDZMFN-AEHQLWAISA-N 432.246 0.777 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C[C@@H]21 1791291370 UGKAPAAJJALECJ-QRTARXTBSA-N 437.928 0.701 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313125 RRZKCOGZGLFSQX-NAKRPEOUSA-N 444.248 0.428 50 20 ICGD CCOC(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1F 1792980074 CTLZLFUZGYDKMW-DJZPMSPPSA-N 442.871 0.805 50 20 ICGD COc1cc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740578 BZBOVKJTQGOZQU-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1799274259 ULNATIJWBMKHKJ-VAECKANCSA-N 434.280 0.617 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)c(F)cc1F 1799512780 ALDQRFAVAUDMDK-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800392282 RISQUSYSEDVQKC-AWYNBESOSA-N 427.350 0.390 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(B(O)O)cc1 1800522605 YKUOJHRKBLLIGN-BCDXTJNWSA-N 441.224 0.979 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1800644023 DQZSCNRBYKHXNV-UMPJEAMMSA-N 430.343 0.762 50 20 ICGD C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336881 HQWIPSWHZVYWOZ-AWEZNQCLSA-N 431.348 0.968 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676340 YGCGKRPSPXILDN-DTWKUNHWSA-N 428.316 0.773 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccncn3)sc2C1 1817434858 CEJVUWBFUNDCPE-JTQLQIEISA-N 438.473 0.471 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)c1F 1817473199 LPAFLFWTDKTSIC-HNNXBMFYSA-N 440.244 0.880 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1C[C@H]2CC[C@@H]1O2 1822212199 MADZTZPAYUOQTQ-RWQQGDIJSA-N 438.293 0.963 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cccn1 1822797330 BLRDQAJVGYAKCR-RDTXWAMCSA-N 436.281 0.853 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665397 KDAXOEGJXOPRPV-BPDROILWSA-N 442.457 0.277 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1827680439 IBVVAYUKPDEOHQ-WGYYVBSQSA-N 431.541 0.026 50 20 ICGD CN1CCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830727744 CTUZWBUTXBOPSE-RXVVDRJESA-N 437.924 0.349 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1831651005 POMFJXITRAKGQV-NWANDNLSSA-N 431.375 0.982 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cnn1C 1834426134 PTDPRXMBGBYESK-CZUORRHYSA-N 433.278 0.489 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834590993 DWKGWBVPAVVGGA-SCLBCKFNSA-N 443.294 0.741 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411600 HFGWCXXFNALNKW-ROUUACIJSA-N 436.336 0.302 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835807723 NMCYYHGEAWLSNN-QFYYESIMSA-N 447.355 0.887 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3)CC2)CC1 1837922172 SRHAISNYGJKFKN-FQEVSTJZSA-N 446.378 0.874 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123499 RVJNJECMRJKRGX-BMGDILEWSA-N 432.359 0.758 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202788 PNWARDXARLWOSG-GOEBONIOSA-N 433.278 0.489 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839203850 YQYOQGUPHORMIU-ZBFHGGJFSA-N 434.262 0.672 50 20 ICGD N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(Cl)c1 1839422590 CRTFWITZEKPREO-QFBILLFUSA-N 442.299 0.881 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839963906 AAFINKHZDOLYFE-RHSMWYFYSA-N 429.315 0.513 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1840031200 IPIZNMGJCMMPTR-ZBEGNZNMSA-N 431.287 0.160 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840155386 ZUEVOKXIDKLRKY-UZLBHIALSA-N 439.896 0.109 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840897333 WRUDLMWHTWUHDS-YVEFUNNKSA-N 449.982 0.321 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841422437 VPJYITYYTZVUMV-IBGZPJMESA-N 431.537 0.553 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1844692332 LMSKZDUTGILDCU-UHFFFAOYSA-N 429.393 0.024 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)C2 1846383934 KATBIBPEFPDZFC-SFHVURJKSA-N 427.505 0.756 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1c(C)nc2ccccn12 10125945 IPGHUGVNKYZZBJ-UHFFFAOYSA-N 439.476 0.265 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 16594296 MLEIASUBHHYGGW-UHFFFAOYSA-N 440.503 0.383 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725741736 SCGRCSHCHBVVIN-UHFFFAOYSA-N 435.487 0.131 50 20 ICGD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276111 XEPCLUPUUYXRTI-GFCCVEGCSA-N 432.506 0.517 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 732262437 SNUVONORPSWBCH-VXGBXAGGSA-N 441.872 0.625 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1cnn(-c2ccccc2)c1 733350517 XXLWMWGCKXSHQO-UHFFFAOYSA-N 428.474 0.795 50 20 ICGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1ccccc1NS(=O)(=O)c1cccs1 733876451 RQAHFNRYTCPYNJ-UHFFFAOYSA-N 427.489 0.895 50 20 ICGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 735634680 WRQQBNWCDYAHCT-KRWDZBQOSA-N 428.474 0.630 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)c2cccc(Br)c2)C(=O)NC1=S 742216371 ZBHYOBFZZWQNPX-DHZHZOJOSA-N 427.280 0.457 50 20 ICGD COCCCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)C3CC3)nnc12 742444911 HHYIUZLKAUYSQK-UHFFFAOYSA-N 430.490 0.730 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 743334599 BOHJZBQWFJJMNI-RFHZTLPTSA-N 429.401 0.288 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 747407576 RIOVORHPRKPOLY-ZDUSSCGKSA-N 432.462 0.838 50 20 ICGD CC(C)OCCN1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 747592260 WTDYTFDCQVHPEC-UHFFFAOYSA-N 440.570 0.813 50 20 ICGD CC[C@@H](C)NC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 749759031 VZXRKNQVBNKVIW-CQSZACIVSA-N 428.580 0.934 50 20 ICGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2 750789223 SMMJHRDZTBVVFP-KRWDZBQOSA-N 445.955 0.768 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(c2ncccc2F)C1 755150390 PZUBSNJQXTWJSW-HNNXBMFYSA-N 428.472 0.836 50 20 ICGD COc1cc(C(=O)NNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc(OC)c1OC 756515052 LCGKQIXMXZCEIW-UHFFFAOYSA-N 442.425 0.965 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 756839427 FKOUPYOSWKLABD-QMMMGPOBSA-N 442.889 0.284 50 20 ICGD CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758031496 WGIXSRHVSFDBJI-ZDUSSCGKSA-N 448.567 0.196 50 20 ICGD COc1ccc(-c2nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs2)cc1OC 758049430 ZRVPRHVSGFNEKD-VIFPVBQESA-N 428.492 0.526 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(I)c1O 758357568 UTVWZBIYBFAUJQ-UHFFFAOYSA-N 440.197 0.583 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763571973 JYXUXQDDTXEARC-HNNXBMFYSA-N 432.820 0.626 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C 763681789 ISGPFVARCVVZHJ-UHFFFAOYSA-N 428.445 0.952 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763758448 RWQMHDWYAYOHEV-UHFFFAOYSA-N 448.501 0.572 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 763884876 YUMNSJTYBVUZSK-NSHDSACASA-N 436.856 0.192 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)cc1 764101605 RLUFXJLRXFFFEB-UHFFFAOYSA-N 439.881 0.821 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)c1 764232461 PATGGSZPHOULON-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O 764287815 AFPYVIDGLJFPRO-UHFFFAOYSA-N 433.428 0.872 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC 765387500 UMYAHEDVAFGRAH-JTQLQIEISA-N 432.271 0.904 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 765570618 CSJQBVHXSMDRBF-FPAYPSAMSA-N 437.456 0.563 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767467618 SSEBSJGIIZDEPM-GFCCVEGCSA-N 431.486 0.855 50 20 ICGD CCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1C 767848546 BHTGSYWKRVXZBQ-UHFFFAOYSA-N 429.362 0.508 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cn1 770244001 PWUGCWJAFYIDJY-UHFFFAOYSA-N 443.279 0.836 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 770391911 NOUSNLFPLRUKRU-UHFFFAOYSA-N 447.469 0.790 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1F 771140170 DJQLOYMNMCRQGO-UHFFFAOYSA-N 432.411 0.729 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605799 RNFGGQWEAPHXNF-UHFFFAOYSA-N 425.850 0.753 50 20 ICGD COc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)N(C)C 771940571 PGKZWLVIHDVEIU-LBPRGKRZSA-N 429.495 0.684 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n1 773861022 AIPOBVNICLWLCK-HBNTYKKESA-N 430.918 0.265 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778440577 JXBPNFSSELWVBP-FQEVSTJZSA-N 449.464 0.134 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H](CO)C[C@H](O)c1ccccc1 778588387 HHJUHZABKATUHL-HOCLYGCPSA-N 435.506 0.408 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427897 TXSPDWXWXNNJAH-KRWDZBQOSA-N 429.520 0.939 50 20 ICGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784005021 WYXPCTRRCGORBR-UHFFFAOYSA-N 436.446 0.596 50 20 ICGD O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C(=O)Nc1ccc(-n2cnnn2)cc1 785099808 KZCRCSFXBZXCDH-UHFFFAOYSA-N 442.386 0.915 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 792017651 LSPLKKLQMSWARH-QGZVFWFLSA-N 425.470 0.952 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 792387694 DYFKUHJRIGRJQK-UHFFFAOYSA-N 429.462 0.596 50 20 ICGD COCCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 795588248 NANOJUBJAWLTBH-UHFFFAOYSA-N 436.531 0.168 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 797535572 OIXKEXBSUNXFMF-VIFPVBQESA-N 447.242 0.803 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C 798307367 QQNCIAIIHAICFR-AWEZNQCLSA-N 443.485 0.628 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cncc(-n4ccnn4)c3)CC2)cc1 801926283 DGJRUKQAYJAXGF-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD COC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 804121463 IEVSCRPVQJRYLE-UHFFFAOYSA-N 426.495 0.338 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc2ccccn2n1 806649563 JCZYDGDAGWVHMS-UHFFFAOYSA-N 444.473 0.822 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 806970128 GAJHLWHFKYAEKN-UHFFFAOYSA-N 430.490 0.836 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1nc(Br)cn2ccnc12 810484988 QWXPSGIHJRYRSF-UHFFFAOYSA-N 444.271 0.518 50 20 ICGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 812438904 IDCVVVKSTMLVGK-UHFFFAOYSA-N 425.555 0.352 50 20 ICGD COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779439 GBFGDMNXZRVGMU-QGZVFWFLSA-N 432.477 0.976 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cn2cc(Br)ccc2=O)c2ccccc2c1=O 914876652 HNXYDVRSLXUFIP-UHFFFAOYSA-N 432.234 0.319 50 20 ICGD CN(CCCNC(=O)NNC(=O)COc1ccc(Br)cc1)S(C)(=O)=O 916580383 SXBQKGJNNQPYAD-UHFFFAOYSA-N 437.316 0.440 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n[nH]2)cc1 917178326 HOMYIWQULDHTSM-CABCVRRESA-N 445.501 0.182 50 20 ICGD Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919885002 MBZBSPZQOVHALJ-OAHLLOKOSA-N 436.490 0.930 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778679616 QHSGIOZVNNVZOP-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1780098109 CCJKGTWQHAOUFD-FQEVSTJZSA-N 448.432 0.229 50 20 ICGD Cc1nccn1[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782631372 MXCSCLFJCQBWMP-AQOAWAETSA-N 448.568 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(C(C)(C)C)n1)CCO2 1783936520 ORXDKYNJTIYXHG-OAQYLSRUSA-N 434.541 0.455 50 20 ICGD COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950502 PPASZTPPFAIAAT-KRWDZBQOSA-N 427.325 0.690 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784084432 QVUCNDQJTCAXOY-HJPIBITLSA-N 432.304 0.937 50 20 ICGD O=C(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)Nc1ccc(F)cc1 1784092335 HQJXBELQGKDRDJ-SJWGOKEGSA-N 441.887 0.734 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784744270 BSLRXPNREGHUSK-SWLSCSKDSA-N 425.345 0.425 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1 1786981687 GMFRYBCPCRHXLT-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1787764103 JOXJISYPWJFWND-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788565791 QSOWNNPWWWVMBS-PEDHHIEDSA-N 433.347 0.457 50 20 ICGD CC(C)n1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1789369549 PVVBAWZFFGMVJF-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)C2 1792870353 DSZUQSHDMFBODQ-RYFGKTAWSA-N 428.371 0.947 50 20 ICGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1792987523 SGZZCMMOLCVIRO-FQUUOJAGSA-N 426.311 0.971 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccnc1Cl)c1ccc(B(O)O)cc1 1794220278 UYULVOFUYFHMRA-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD Cc1csc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737381 XPPMLROUQZDJIE-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796189735 TUKBNCAAOPRXGY-WKCHPHFGSA-N 449.316 0.357 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1796299011 MEHCOKWCSSNJQL-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796313637 VWFSDVYMXVRJSL-CSHUHZATSA-N 444.444 0.251 50 20 ICGD C[C@@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(F)(F)F 1798439599 MKJPSVKWIMBRKO-WMEBDMIVSA-N 429.399 0.250 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1798522230 KYNBILXNWVHIRO-ZSBFGKGUSA-N 443.416 0.760 50 20 ICGD CC[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1799365360 XXRCWEIUQMNEJP-PFFSRIRZSA-N 447.960 0.869 50 20 ICGD C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801165410 NABLSPQBWWIKLN-ODRBZYGGSA-N 427.505 0.904 50 20 ICGD CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801625150 JKXIXOPZCKEDSB-BCDXTJNWSA-N 429.521 0.950 50 20 ICGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)c(=O)nc1O 1804097633 SGGSHTONKSOTFT-LSCVPOLPSA-N 431.262 0.586 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1805389581 SPSMIQBPMPZDLW-INIZCTEOSA-N 448.402 0.535 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1cccnc1 1805433299 LJZFLMOTSIBIBX-KXBFYZLASA-N 446.471 0.504 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806288560 ZOYYXRKXPGAORG-UHFFFAOYSA-N 439.520 0.886 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374857 KFAXMXBDJJJAOK-WIYYLYMNSA-N 447.304 0.735 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376296 VECYBRMNZOSROF-OZOXKJRCSA-N 439.321 0.895 50 20 ICGD COc1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1808292485 KKEAOMKKLNCVKX-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1810422054 GHHHMEHHGFKWIR-VGSWGCGISA-N 441.536 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1812914505 VIYSKHVUILKVBP-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815254799 ZYILHQUGGSIERD-IRWQIABSSA-N 428.298 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](N)c2ccccn2)[nH]n1 1822414491 VEEPCXHDVCBGEB-OXQOHEQNSA-N 442.524 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnn(C)c2)[nH]n1 1822417108 ZZLCMBFZSLSTRS-MRXNPFEDSA-N 430.513 0.751 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1830362149 MTVLIKUSJXCURU-LJQANCHMSA-N 431.917 0.550 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(Cl)n1 1830731504 KGKLETZSZPRUMG-SCLBCKFNSA-N 448.303 0.413 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830769044 LWFBXWCNWFLXBS-PXNSSMCTSA-N 427.618 0.779 50 20 ICGD Cn1cc(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cn1 1833310676 OLCHIIREYNHEGK-SFHVURJKSA-N 425.961 0.524 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnnc(Cl)c1 1833890406 UYJGHASWSXTCFE-OAHLLOKOSA-N 430.336 0.915 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834030863 DESQXLTXWAIMNQ-RHSMWYFYSA-N 427.299 0.720 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](Cl)CC)CC2)CC1 1836396655 FWUGSXICMFXWRI-NVXWUHKLSA-N 432.949 0.640 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1837456641 LTSFAGUCGSMBJR-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3ccccn3)CC2)CC1 1837978227 ZIZGFTJHRFKXTO-UHFFFAOYSA-N 445.564 0.996 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(OC)c1 1838878811 RJOAYHKLLZAVNV-OXJNMPFZSA-N 442.896 0.374 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199726 ZYHGGDJYZFGDQK-CZUORRHYSA-N 433.278 0.489 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839962897 UXPXOEXADOQKLV-BLLLJJGKSA-N 430.303 0.059 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840031963 HZHAKVFATBKUMC-SJKOYZFVSA-N 429.267 0.493 50 20 ICGD O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840191700 OHIIJISAVIHZOL-OAHLLOKOSA-N 439.328 0.046 50 20 ICGD O=C(c1cccn(C(F)F)c1=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011597 UMHHUPNWWAEFBE-UHFFFAOYSA-N 431.204 0.054 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012563 AZTKADGSFDQBRP-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnc3[nH]ncc3c2)C1 1844015991 HJBPMYJDPXVGJJ-DHRITJCHSA-N 434.460 0.909 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C[C@@H]1COc3ccccc3O1)C2 1846384002 RSJQNAZPRJINTK-MRXNPFEDSA-N 430.505 0.793 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846712663 PHDQTCAXPDVUAZ-UHFFFAOYSA-N 444.580 0.876 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1847958643 POTAOGSNYZXZNG-JYJNAYRXSA-N 437.541 0.571 50 20 ICGD O=C(COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1cccs1 11387060 OURIOXDVAXFQPA-UHFFFAOYSA-N 432.370 0.257 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 23370336 JBVUALAFDGSQDE-IAGOWNOFSA-N 433.528 0.709 50 20 ICGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 26773530 NFWBWMIXAOLISD-UHFFFAOYSA-N 447.451 0.745 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1 28627621 DHNQASNTDJDLIJ-UHFFFAOYSA-N 433.486 0.895 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 105282130 PMYUFXAYZDELDV-UHFFFAOYSA-N 447.469 0.982 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 725872409 WHFMUPQOXRBZSJ-UHFFFAOYSA-N 449.489 0.325 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 725909693 UGJULKYMHWMNFF-UHFFFAOYSA-N 446.441 0.542 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 726870270 SWIDZNWWLDJXKG-UHFFFAOYSA-N 435.506 0.193 50 20 ICGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 728208790 SQMDVHNBJZILBO-NSHDSACASA-N 429.458 0.546 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)Nc1ccc(C)cc1 729455784 ZYNCCXAQMRIOAP-UHFFFAOYSA-N 430.446 0.997 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 730073290 LDLCJXRZMXKUOW-LBPRGKRZSA-N 441.579 0.997 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 731761951 QHCSXFCAPSXEQY-HNNXBMFYSA-N 435.525 0.736 50 20 ICGD CCn1c(S)nc2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)ccc2c1=O 732260502 DZZRZPIYJRSGBZ-STQMWFEESA-N 433.534 0.965 50 20 ICGD Cc1ncc(C=NNC(=O)C[C@H](C(=O)NN=Cc2cnc(C)s2)N2CCOCC2)s1 741767534 YOPWVBGDJDDQLM-MRXNPFEDSA-N 449.562 0.908 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(Cc3cccc(F)c3)C(=O)C2)cc1OC 741798982 PRMDFBODKUMEBA-UHFFFAOYSA-N 444.463 0.948 50 20 ICGD COc1cccc(C[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)n2nnnc2C)c1 746549459 PXLXYPIQEQGPAP-SFHVURJKSA-N 434.460 0.812 50 20 ICGD COc1cc(C(C)=NNC(=O)CSc2nnc(O)nc2O)ccc1S(C)(=O)=O 747047053 PCYYISBLMQCLPF-UHFFFAOYSA-N 427.464 0.327 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCC(C(N)=O)CC2)c1 747583500 LTOHTJBUDLSHHX-UHFFFAOYSA-N 439.538 0.705 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 751838919 LMVHLTSQCWSLOE-UHFFFAOYSA-N 433.486 0.806 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C)c1Br 756154749 HRAIKUTWTRENFA-SECBINFHSA-N 435.300 0.090 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 756315198 NJMKTPDGMOSLEJ-SSDOTTSWSA-N 436.372 0.846 50 20 ICGD CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 758048729 UVDIFAIHNJOFGE-GFCCVEGCSA-N 427.483 0.530 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 759193377 LIPPZFQZDCYTRT-UHFFFAOYSA-N 430.490 0.341 50 20 ICGD COc1ccc(NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)nc1 760537534 WMHSSLUAADUZRQ-MRXNPFEDSA-N 435.506 0.763 50 20 ICGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 761122355 VQIOPKMUZJLYNF-UHFFFAOYSA-N 448.567 0.198 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N)S(C)(=O)=O 763809721 ZUMQZGZLSLELTN-UHFFFAOYSA-N 445.457 0.119 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C 763848791 JCKXGHPZEMWAMA-AWEZNQCLSA-N 427.461 0.954 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 763898521 XKUCMQHQTFGSFH-UHFFFAOYSA-N 440.485 0.758 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 763992943 KQVGLSMIZIUBNO-UHFFFAOYSA-N 428.474 0.871 50 20 ICGD C[S@](=O)c1ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1F 764202323 CBZAENIFFMTNDT-PMERELPUSA-N 444.485 0.954 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 764251719 XQRGETPNWQKTOX-UHFFFAOYSA-N 436.371 0.942 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(F)c(Br)c2)n(C)c1=O 764813229 VQMNAPAGVSBTDL-UHFFFAOYSA-N 437.229 0.486 50 20 ICGD CC(C)OCCS(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765119060 MHFMZDLTXKJARG-UHFFFAOYSA-N 432.974 0.833 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)nn1 767197027 IBYNEKXDOGOVQX-UHFFFAOYSA-N 447.517 0.508 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2nccc3c(S(N)(=O)=O)cccc23)c1 768625010 WBCPSBCHRAXCGO-UHFFFAOYSA-N 442.453 0.809 50 20 ICGD CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770972842 VVBHFNSOMBRJOV-AWEZNQCLSA-N 445.505 0.829 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(-n2cnnn2)cc1 777912044 QWTPJVDLHUHTDI-UHFFFAOYSA-N 443.367 0.622 50 20 ICGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCOC1 780862369 XHACZOHLFLTEPZ-HUUCEWRRSA-N 426.543 0.459 50 20 ICGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004259 CUPJRVGCEVVLMM-UHFFFAOYSA-N 426.458 0.758 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 784915808 OSYNHZZTJVFYGA-UHFFFAOYSA-N 428.287 0.917 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971371 ZPVRUYOAGKURKZ-HNNXBMFYSA-N 449.414 0.809 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)NC(C)C)ccc2F)CC1 801141915 XNRYSJSCAMZJJR-UHFFFAOYSA-N 429.474 0.031 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)N1CCN(C)CC1 807380209 DAJFTUJRNNQVRY-NSHDSACASA-N 437.444 0.360 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813034149 ZELBYCQDXIXUPA-UHFFFAOYSA-N 437.478 0.439 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=S)NCCc1cccs1 819427102 HFTHUQWFGGUWOE-LLVKDONJSA-N 444.608 0.503 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914831186 QGVKOBIQXYKAHW-JQWIXIFHSA-N 429.882 0.145 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)CCN1 916392266 SZEWPBCQPRLPDE-UHFFFAOYSA-N 434.456 0.884 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)CC1 1778115567 MTNGGKHBUAIVRS-BBRMVZONSA-N 425.910 0.022 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779474474 RMUMKFYFKPEIPU-QXATTWAWSA-N 447.536 0.626 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780168656 KTNHGLNCCVWVAB-HSZRJFAPSA-N 449.272 0.004 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326591 YYSKJKQSVJGNKD-GYSYKLTISA-N 429.308 0.188 50 20 ICGD Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783937533 UDCVGRMHQMZPML-JOCHJYFZSA-N 430.505 0.381 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@@H]3O)C[C@@H]21)[C@@H](O)CCl 1784084498 VMXAMDATMVZLIE-PYNNRZRQSA-N 436.936 0.862 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789866280 NIVHIDSCXKLJBL-FJXLLPKBSA-N 443.136 0.196 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1792868000 QAHANQIKQULOEU-CNBXADPUSA-N 425.327 0.702 50 20 ICGD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881286 ZIBOIEFTFXTWLA-FQLMCAECSA-N 433.933 0.745 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Cl)cc1 1795257209 BBZSMXQWLSNKRK-VPTLXERWSA-N 436.940 0.845 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795609944 UJPAUXNCPJIGDY-XYTFPVCRSA-N 425.327 0.702 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796367784 VOZHJOOUAVFDEM-NDKCEZKHSA-N 437.896 0.386 50 20 ICGD COc1ccccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800630981 QTIUGXFOFKLELQ-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1Cc3ccccc3CN1)C2 1802333294 UCYVDFVQZMYLCS-YRPNKDGESA-N 427.549 0.712 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)on1 1804255512 WSGWDKXZODXVLF-GCJKJVERSA-N 448.288 0.620 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1 1804507099 GUTBYOMZWGHINO-GCJKJVERSA-N 441.536 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnnc1 1805486538 NHFRLLVAHJYSFF-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccnnc2)[C@H]1c1cccnc1 1805488617 JMLRWPQLCLYAJB-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD CCn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362710 HOKBIPPBKPQCIO-RXVVDRJESA-N 447.304 0.611 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371064 PANJNYGHXIAEOY-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808674916 AIIGDAJDXROSKW-XLIONFOSSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)[C@@H]1CCCS1(=O)=O 1812494515 XOABSPBKKHKWKO-FZKCQIBNSA-N 429.926 0.264 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1813028960 ZTFXGAOZOBYGPE-HLLBOEOZSA-N 431.942 0.776 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1(O)CCC1 1814422746 RTTHRWYXPHWDSZ-KDOFPFPSSA-N 440.309 0.947 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815817722 UJDNQWFCXDQVDR-STQMWFEESA-N 425.833 0.806 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817288626 AMWKBBYAURHJOX-ZDUSSCGKSA-N 432.485 0.967 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC=CO3)sc2C1)c1ccc(B(O)O)cc1 1819729969 CNNLYIXGOCQMFC-HOCLYGCPSA-N 427.291 0.741 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821123006 XWTZKPZHBOVTRV-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD O=C(CN1C(=O)CNC1=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823003279 YEACVKYZFDMCDU-KSBSHMNSSA-N 448.274 0.297 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cc3cc[nH]n3)sc2C1 1824731003 XXBSWEZWUJHGFI-SNVBAGLBSA-N 440.489 0.333 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825076615 IVQSMSHOVWJRMA-UBHSHLNASA-N 443.342 0.988 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1 1825642368 QNQOLBBRIOSOAL-QRTLGDNMSA-N 447.355 0.990 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054927 MZNRUWGUSCJRRZ-RTBURBONSA-N 436.745 0.854 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1830358664 QEGUALHIKUOWHM-LJQANCHMSA-N 440.884 0.510 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1830533685 RQLFKXXMCWPOCN-SIIHOXLZSA-N 445.310 0.800 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n(C)n1 1830538254 ZWCKMGBFANVPED-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1830539536 IDKYKQQLLBXPQH-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CC(F)(F)F)CC2)CC1)c1cccc(B(O)O)c1 1834801008 HEQAETXCSRLMOL-UHFFFAOYSA-N 441.259 0.504 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1834825482 YJTFLENEVQJABP-ZXFNITATSA-N 431.327 0.795 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836717568 GCHXMKZVQUCJBT-VQIMIIECSA-N 445.004 0.221 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837012576 ZIWDSMZYCOQZFY-FOIQADDNSA-N 436.896 0.887 50 20 ICGD O=C(c1ccc2scnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837059889 CMBKSRGFLNLGJY-KXBFYZLASA-N 439.921 0.966 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1 1837921170 IRTQGBHYYUEFCM-NRFANRHFSA-N 442.321 0.671 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839143489 WYMABKXELRDQJZ-UGSOOPFHSA-N 430.864 0.870 50 20 ICGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cccc1=O 1839151263 LZDHEYZCWQTZEM-RTBURBONSA-N 446.331 0.692 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669936 FINJJFXBXPLFDC-FZKQIMNGSA-N 428.873 0.035 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840153199 HDWVYBPCEYTDFP-FQSWUABASA-N 447.916 0.226 50 20 ICGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2)OCC 1840156471 SMJBGRHFUNRWNH-KXBFYZLASA-N 436.933 0.486 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840885770 ATXZIZHISGIKIL-SCLBCKFNSA-N 449.342 0.816 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841357625 XBWWAXFVFGKFHI-OAHLLOKOSA-N 445.325 0.344 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011516 LJXDZMGNTCCHJN-UHFFFAOYSA-N 429.669 0.311 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846154563 UEQKTEQURLAZMR-BARDWOONSA-N 427.929 0.902 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1846363973 PCSMRFRHTGJBBD-KBPBESRZSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(-c2ccccn2)nc1 1848296029 KMZJMPBSMFTBSM-ROUUACIJSA-N 437.504 0.727 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 15793339 XEIMNJRRKPLZOH-UHFFFAOYSA-N 449.485 0.800 50 20 ICGD CCc1ccc(C(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725871229 ZNUXSERWFNIFOE-UHFFFAOYSA-N 427.461 0.771 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3ccc[nH]3)CC2)cc1 726629630 LGRLPQJOOBAGMP-UHFFFAOYSA-N 447.517 0.397 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 731849131 RWJAMHVNGQWDMJ-OAHLLOKOSA-N 438.550 0.778 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 732666776 CPRKJWOZXZWEHY-ZDUSSCGKSA-N 441.326 0.918 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1 733193414 OENJWFAERVNBOL-UHFFFAOYSA-N 435.333 0.857 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 734239854 XPLJVOCNDKTBNT-UHFFFAOYSA-N 440.482 0.207 50 20 ICGD CN(C)C(=O)Cn1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)nn1 734258869 OOKKSAPGSGNOBP-UHFFFAOYSA-N 435.370 0.994 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 734663633 AOEJSKDWOSZFTR-UHFFFAOYSA-N 427.464 0.508 50 20 ICGD Cn1cc(C(=O)NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cn1 735471110 ONJDGZDUBPNPBH-HXUWFJFHSA-N 446.467 0.695 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 741268821 ZLUUHUUAKJXROU-HNNXBMFYSA-N 430.469 0.910 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](NC2CCOCC2)C(C)C)cc1 743289297 RHKUOEXTPAHOPF-IBGZPJMESA-N 440.566 0.556 50 20 ICGD CCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCOCC1 745931131 NAMGEOUFNTVZLU-UHFFFAOYSA-N 440.570 0.851 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1=O 746780088 MQMDINKLONXVCR-GFCCVEGCSA-N 448.457 0.755 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 751538372 IDSUNDXIEKCFAY-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD COc1ccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1F 753802024 NQECRGOKWOKJKQ-UHFFFAOYSA-N 440.439 0.987 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)CC(F)(F)F 755408320 ISCQWYUTGJPKNK-UHFFFAOYSA-N 440.400 0.821 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 758029445 LIXONZWHHMHSCN-SSDOTTSWSA-N 428.692 0.566 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC[C@@H]1c1ccc(C)o1 758041091 WIJABBXZSIBWQH-XQQFMLRXSA-N 430.483 0.335 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 759383075 FRZFZILZXBIQCP-UHFFFAOYSA-N 446.485 0.888 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3nc(F)c(F)cc3F)CC2)n1 759996672 YAKLRRZFAFJORL-UHFFFAOYSA-N 428.440 0.776 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1nc2ccccn2n1 760033421 TZPSESWCNYVIQR-UHFFFAOYSA-N 429.462 0.980 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)cc1I 760311196 KRKXCQBTALOLKW-ZCFIWIBFSA-N 444.197 0.765 50 20 ICGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440542 ZSRQLLLOTJMSGU-NXCRSVRDSA-N 439.513 0.795 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 763737239 QBXLXBNVQUQYGK-UHFFFAOYSA-N 447.448 0.412 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1 763737976 RIZMWEQHTQSOEQ-UHFFFAOYSA-N 443.485 0.582 50 20 ICGD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763920641 BCNQSAFUPYHLSP-CYBMUJFWSA-N 425.453 0.866 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763950226 VFOMPQZJIMIVHH-UHFFFAOYSA-N 426.389 0.401 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764268004 YCDGHZSANIWCOX-UHFFFAOYSA-N 431.474 0.217 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 764276060 YDAGWEWLZBKAEG-UHFFFAOYSA-N 426.429 0.793 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccccc1F)CC2 764319601 PBCMTWIIRQQCLC-UHFFFAOYSA-N 434.449 0.013 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764353918 MMTGEKRVDTYWTK-UHFFFAOYSA-N 433.490 0.441 50 20 ICGD CCCSCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765729361 PHBYZFKXYDEPCL-UHFFFAOYSA-N 428.580 0.592 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)n(-c2ncccn2)n1 768236300 ACZHTQHVGFAUEK-LBPRGKRZSA-N 427.396 0.663 50 20 ICGD COc1ccccc1C(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 771390850 FCEWOBQBBNPVDD-UHFFFAOYSA-N 448.501 0.589 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C(=O)O 771607996 RMBJXZWKWPESGU-UHFFFAOYSA-N 425.850 0.973 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1 776346187 FZWVDLGBIVSXDK-IAGOWNOFSA-N 438.550 0.264 50 20 ICGD COC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 783262238 BXWAHHBCEHBWRN-UHFFFAOYSA-N 449.489 0.566 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2)cc1 784828787 KJSCYHKQQQUNQN-UHFFFAOYSA-N 429.389 0.970 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 790544626 HUCGEQPULYNRCN-ZIAGYGMSSA-N 432.440 0.924 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 797369299 RZMRHSPZEBYLIA-UHFFFAOYSA-N 436.428 0.885 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(Br)cc1[N+](=O)[O-] 797685052 PYZVXNFTYCHJKN-SSDOTTSWSA-N 438.260 0.756 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)cc1Br)N[C@H]1CCS(=O)(=O)C1 799122864 ZCWAMINPHXWDAH-QMMMGPOBSA-N 446.732 0.782 50 20 ICGD COC(=O)N1CCC(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 804867796 KXXXJMBZZZXNIB-UHFFFAOYSA-N 426.499 0.402 50 20 ICGD CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)c2ccco2)s1 805044663 XVLNCIBBOCIWKA-VHSXEESVSA-N 437.482 0.417 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)cc1 815567019 MHXXJKAKUNFNCJ-UHFFFAOYSA-N 444.477 0.513 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CCCCC1 916253596 ANTMYDDGFDARLZ-UHFFFAOYSA-N 443.482 0.556 50 20 ICGD CN(C)C(=O)CN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 920430634 UIFFJGYSCUEWCA-UHFFFAOYSA-N 438.532 0.889 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)c1nn(C)c(=O)c2ccccc12 1115815229 RCSYATWHZVNNBR-CQSZACIVSA-N 442.501 0.870 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 1253200149 HZEHTSKLDLIVCG-QZTJIDSGSA-N 438.550 0.802 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c34)C2)C1 1778040777 VXQZWNQDCSEKFV-QFIPXVFZSA-N 427.505 0.984 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)n1ccccc1=O 1779519369 NNFNPOALMAHUNF-UIVXKWKOSA-N 425.913 0.523 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779956166 UEFTYHSXUMJOFP-KZULUSFZSA-N 440.909 0.453 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780808166 UTSFILCRRKZPRF-CSODHUTKSA-N 439.557 0.674 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933268 GBCCRIKTBIMNLB-QFIPXVFZSA-N 431.537 0.526 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nonc3c1)CCO2 1783935596 WGQGLLLVKHUIEV-FQEVSTJZSA-N 430.465 0.039 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783937813 OTAPKHWMUPBLCO-JOCHJYFZSA-N 445.520 0.462 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784937870 FWCZEUPTYANQKP-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785340288 SOUFUQXTVDWABC-CKFHNAJUSA-N 433.933 0.719 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1785718031 MSFSPOGHJNUDRG-UZLBHIALSA-N 440.880 0.282 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2ccoc2c1 1787350645 WYZCGZZWEUUMNS-XERREHJYSA-N 449.272 0.415 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789197917 LSMPRCWBLDMSIR-DZKIICNBSA-N 447.923 0.948 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790638489 GCBUSJACOVPVGD-AICCOOGYSA-N 428.331 0.850 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782931 JYBUBGFXECHMJF-FZKCQIBNSA-N 432.901 0.336 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccco1 1794125910 RRKLYSQPHAVRQC-OYSOCFBGSA-N 441.488 0.936 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)N1CCN(C)CC1 1797956141 DHKDUEGGUNVTNU-BMFAXAFESA-N 426.634 0.063 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccnc2)[nH]n1)c1cccc(B(O)O)c1 1798839524 ZBZIIXHKVUQUAG-REPLKXPHSA-N 445.288 0.717 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800085898 CEMCGCOWERBFBB-ACDBMABISA-N 449.316 0.874 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1800760433 NVXXGBYPFIYPIZ-LURQLKTLSA-N 440.220 0.810 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CSCSC1)C2 1800976679 BYNOJQSEYUTMCH-AHDPXTMNSA-N 438.015 0.873 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012385 WSNBAQQQCPSLKV-OPOADAIRSA-N 431.537 0.223 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnccn1 1805428505 QJSBXHGKHSQYRO-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncs1 1805972140 HWZIXKWENGDDAY-VQIMIIECSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362899 XEEJVCAOEGFVAG-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365388 ORHOILAZSRKMKB-UYAOXDASSA-N 437.305 0.696 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369797 VWTVRODHECUHKF-PKOBYXMFSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375343 SMOABCNBZULGJQ-WIYYLYMNSA-N 437.305 0.386 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1813073979 NCJYXPVQESFQKA-IIBYNOLFSA-N 427.509 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1813276718 QAMWZBLKOWVJLZ-VGSWGCGISA-N 441.536 0.816 50 20 ICGD Cc1nnc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)o1 1817534882 QBVQFIASCXVUBO-MRXNPFEDSA-N 438.253 0.330 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1821526718 ZOWHAAJMNGOOCL-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)c(=O)nc1O 1823365096 KYLRFTQSFJNMOG-CHWSQXEVSA-N 438.872 0.272 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1830545572 KYAVKTUSMJBNSY-KAYRBKQESA-N 431.327 0.366 50 20 ICGD O=C(c1cc2ncsc2[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731046 HGNBWRKWPIUYOI-CXAGYDPISA-N 428.898 0.294 50 20 ICGD Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738853 VSIOYDFCUQNHRB-VQIMIIECSA-N 428.917 0.028 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830988542 SGHYMFKNUAQUFE-DYESRHJHSA-N 440.924 0.684 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831439120 XEFAPBAYNLAATM-KDOFPFPSSA-N 436.958 0.757 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123230 CGYFPFGTTRAAPG-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1833442472 KBGVABWXOWLOOL-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836056894 UCHFDWWEFKHWEA-VQIMIIECSA-N 426.901 0.119 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c1 1836199613 BTZIXLGOOCCJCR-QZTJIDSGSA-N 433.336 0.884 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836469066 KOPBAOZURZOAEV-KDOFPFPSSA-N 429.832 0.457 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920745 AIDVXGGZUHRTSW-INIZCTEOSA-N 444.337 0.594 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839150768 XCEKRLNNBXMJCI-DLBZAZTESA-N 438.308 0.131 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839155055 HICSPCGKRAGAMR-IAGOWNOFSA-N 434.324 0.361 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839963260 FZQBYBZTAZKMQV-RDTXWAMCSA-N 446.342 0.239 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1839963642 QUVPQUZWWUVEHJ-WBMJQRKESA-N 430.303 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1840151780 NHTFZKNPDWVOAK-LQWHRVPQSA-N 439.940 0.439 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)[C@H](O)C1 1841023907 GBOVCBQSKIYBIP-SOUVJXGZSA-N 445.944 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c(F)c(C)nn2C)C1 1842299492 MLYDSJUXIFNYAM-YDZHTSKRSA-N 429.456 0.819 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1843416324 WTICQSJVIMUBQG-VULFUBBASA-N 448.483 0.881 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cn(C)nc2C(F)(F)F)C1 1844465362 BMJMHBDOCGCULX-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071700 JBSVPLOXVXQWSX-IHRRRGAJSA-N 436.372 0.092 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)n1 1848307051 JJDGLEIQCGYINE-IRXDYDNUSA-N 437.460 0.168 50 20 ICGD C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 11580324 SPNNMWQEPMXBOA-SFHVURJKSA-N 437.408 0.644 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)n1 728723181 MSHYCXCHJHAITK-CPSFFCFKSA-N 426.458 0.810 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3cc[nH]n3)CC2)cc1 730102632 IKRLQHHHHAESAD-UHFFFAOYSA-N 435.506 0.599 50 20 ICGD N#CCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 730674932 RXSLEADJCBZYDB-UHFFFAOYSA-N 448.549 0.793 50 20 ICGD O=C(NNC(=O)c1cccc2cccnc12)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731808580 AWBFKVUJHMODAW-UHFFFAOYSA-N 435.425 0.721 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 732050317 SBOUNWJHSHMCLG-IBGZPJMESA-N 432.521 0.543 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 732573295 NSADGZBDOHQAAI-GFCCVEGCSA-N 430.490 0.186 50 20 ICGD C[C@@H](CC(=O)NNC(=O)COCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742695859 XBHXJPZYERKDAP-AWEZNQCLSA-N 430.486 0.868 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 744386748 RBOWIQAWALMIMD-UHFFFAOYSA-N 436.456 0.604 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(Br)c2)c1 746314689 AROMUPGWICLHQN-UHFFFAOYSA-N 445.295 0.777 50 20 ICGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 747608801 OWEOUFUMPDPDTQ-MRVPVSSYSA-N 442.313 0.137 50 20 ICGD N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 750040153 TXJQAKRDLFPYCI-BHKKVZFSSA-N 440.503 0.594 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 750510571 ZNWWGFDVYJWHSV-MRXNPFEDSA-N 449.460 0.774 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)N[C@@H](C)C2CC2)cc1OC 751620960 MPVPZKNKNJDWBV-NSHDSACASA-N 430.552 0.666 50 20 ICGD CN(NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785177 BVSNGKHBWGNUNI-UHFFFAOYSA-N 435.481 0.800 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2CCC(N(C)C)CC2)nc1 759595558 KXMQLPMFJQGNMI-UHFFFAOYSA-N 441.602 0.764 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc2ccccc2n1 762964556 PKANHPNUTRESMI-GFCCVEGCSA-N 441.469 0.462 50 20 ICGD CCCn1nccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763508395 IBIGVPMCKNPUEW-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)o1 763583350 NLAKOYMSXMEYBC-UHFFFAOYSA-N 427.461 0.684 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 763662674 ZHURXRDNMHHGFK-NSHDSACASA-N 428.401 0.580 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 763684416 LDTWKEOBLXSPMX-UHFFFAOYSA-N 434.836 0.759 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 763775878 XDXVEPYMWCWWKX-UHFFFAOYSA-N 443.395 0.527 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 763802373 CWSNPEHZANKYSI-UHFFFAOYSA-N 445.413 0.804 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nn1-c1ccccc1 763916237 DYGFMJNZQMINJP-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)c2)CC1 763919177 SJZKYPAXWPKMFR-UHFFFAOYSA-N 427.480 0.902 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764274666 ANIKQHKDPBKEMT-UHFFFAOYSA-N 428.401 0.454 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764428822 LKAARQVVIRDDGV-CQSZACIVSA-N 426.857 0.322 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1csc(N)n1 764820032 UZHNLOGVYHOOJV-UHFFFAOYSA-N 436.563 0.880 50 20 ICGD C[C@@H](CSc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725874 UFLPXQNGEMTTMK-NSHDSACASA-N 448.480 0.149 50 20 ICGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770224075 WCXSLCDILVAOEV-QGZVFWFLSA-N 429.836 0.613 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 771605847 CWFKVIWNVCTPCX-UHFFFAOYSA-N 425.850 0.737 50 20 ICGD CC1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1 776158436 WWGVHTFBCMXKRT-ZIAGYGMSSA-N 442.528 0.647 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 777922469 DUNWIIGCRYRFBC-LBPRGKRZSA-N 440.503 0.478 50 20 ICGD O=C(NNC(=O)c1ccc2cc[nH]c2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 779490700 DBLYRUIKDFYMCS-UHFFFAOYSA-N 429.458 0.659 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 779548977 ZANUMKWWVHAYGD-CABCVRRESA-N 448.888 0.808 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1-n1cc(Br)cn1 783999263 CQJFARDLDNWSSH-UHFFFAOYSA-N 449.265 0.343 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 785022893 AEYHORWZHGFWAO-UHFFFAOYSA-N 436.352 0.864 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cc2ccccc2S(C)(=O)=O)cc1 791050377 ZNWVWJOLPTYFMS-UHFFFAOYSA-N 425.488 0.889 50 20 ICGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Br)c1 794920273 IMFAHKWORSBRGM-UHFFFAOYSA-N 449.265 0.355 50 20 ICGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 795333073 DASOONMJEXEWRD-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 799519187 QGMLXLZRJZDNBY-UHFFFAOYSA-N 440.503 0.780 50 20 ICGD CN(C)C(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 799539509 YLABYVACOFEMFK-UHFFFAOYSA-N 438.893 0.668 50 20 ICGD O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NNC(=O)C(=O)N1CCCC1 810274836 DQRLYPWNPFORCA-UHFFFAOYSA-N 443.529 0.959 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3nc(C)nn3c2)cc1 810385920 FFRTYNVLAOJEHZ-GFCCVEGCSA-N 426.433 0.990 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1OC 810465414 MEQYZMGKDGNUSE-UHFFFAOYSA-N 447.473 0.020 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 912839936 PRYRLPKOVUXQPB-CQSZACIVSA-N 446.485 0.850 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 913025841 HBTMSMPYRNELBP-UHFFFAOYSA-N 434.305 0.933 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 913476389 BDCPLIXORNRVKE-QGZVFWFLSA-N 428.424 0.514 50 20 ICGD O=C(COC(=O)CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919336128 OUZLOGQRQNNDIW-UHFFFAOYSA-N 427.435 0.647 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cncn2-c2ccccc2)C1=O 1340109188 IOPCMQUPMSTNEE-RNODOKPDSA-N 425.449 0.537 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778853494 JPEDQYNMAXIIQQ-MEDUHNTESA-N 429.319 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1779029822 ACNKOXTWMIRJNO-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)nn1 1779894479 CMBAHGWFGLSZCL-SJCJKPOMSA-N 427.299 0.960 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783354433 ABSIKYIWCIIOIN-GUYCJALGSA-N 433.347 0.363 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CCc2ccccc2[C@H]1O 1784150310 VUALUEJVYDXEDJ-IHCSERIDSA-N 436.936 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCCC3)[C@H]2C1 1786577890 DOJDYXPLRMHOEC-FHWLQOOXSA-N 437.585 0.215 50 20 ICGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21)C(=O)O 1786893663 DWAQFORJLOACHS-PEDHHIEDSA-N 434.331 0.060 50 20 ICGD O=Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1786988949 UYKIWPYGSGYBLB-WBAXXEDZSA-N 442.302 0.148 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2nc[nH]c12 1787295575 ISJCYBSSRUUVSK-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD Cc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610616 LYZAHVWSBKUQDB-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)o1 1788611218 PBCYVNFLJBASNO-JQFCIGGWSA-N 442.476 0.197 50 20 ICGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]4C3)(C1)C2 1789925871 WUZRVIVTNYCZPE-JWCBNWSFSA-N 447.301 1.000 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1791055417 VNEKSKMRNSQDTQ-MNXVOIDGSA-N 429.315 0.358 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1c(=O)oc3ccccc31)C2)[C@H](O)CCl 1792974840 DFTKNEOAEULZMV-ZFHGCVPZSA-N 437.880 0.174 50 20 ICGD O=C1CSc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)ccc2N1 1792978104 CDKCJGLMIJOUMJ-IFOZYUSPSA-N 439.921 0.534 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1OC 1794098145 SPEKPBJHTCOFPR-DFGXFYAUSA-N 425.913 0.866 50 20 ICGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cccc1C=O 1796199899 DVRBORGUFPEWGS-JONQDZQNSA-N 438.488 0.812 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1csc(Br)n1 1796690254 BZOKUSVZVLCMKI-OEIWMXHLSA-N 438.731 0.709 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800638901 CHSIMJWXFPFAEV-MIJXAVMKSA-N 441.282 0.552 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)N1CCN(C)CC1 1803140043 AQEJAMZUESQVQS-OQIJWPOYSA-N 437.972 0.323 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2ccc3ncnn3c2)[C@H]1c1cccnc1)[C@H](O)CCl 1803141671 SMEANMCBCMDVNS-QKLQHJQFSA-N 442.907 0.973 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803148278 PTWMLCTUCDRURU-PMUMKWKESA-N 435.868 0.262 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803914113 YCLKPNMLANLROE-YZVOILCLSA-N 434.880 0.002 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2F)[C@@H]1c1cccnc1 1803972937 UCTPSMFEZQICMQ-DHXZDTOLSA-N 426.452 0.758 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363704 FKJIMYOESAECON-MTOHEIAKSA-N 439.321 0.488 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369968 ZOFMEDQYYRHEBX-IEBWSBKVSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2(F)CCC2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374321 JRKLEOAPQCIZKB-IEBWSBKVSA-N 425.269 0.973 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968272 PDDPWYCFXHZFDH-CMDGGOBGSA-N 428.294 0.331 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1810539269 ADIZTZSYCCJHDJ-BXWFABGCSA-N 435.601 0.532 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812344888 DLFFLINGMJHMFQ-BXWFABGCSA-N 433.896 0.598 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)CN)sc2C1 1814743695 CLKAHENAKGAJEM-SAWOXTEMSA-N 431.522 0.784 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350158 GUGBLBNVTACVOX-WFASDCNBSA-N 429.307 0.640 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)cn1)CC2)c1cccc(B(O)O)c1 1815355463 SCNLMNNVLLGAJW-CYBMUJFWSA-N 438.274 0.463 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2C[C@@H](O)C2)n[nH]1 1818825688 OZPYEAHCLUTIQZ-OZVIIMIRSA-N 427.465 0.485 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](COC)NC(C)=O)n[nH]1 1819613027 KZGVAYAYWXKCTJ-NWANDNLSSA-N 429.905 0.807 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1820165669 LMLJAQCBPGPKBG-YVEFUNNKSA-N 442.614 0.557 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccn(C)c2=O)CC1 1824717999 AINJYVFSXYGNBQ-LJQANCHMSA-N 445.564 0.992 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 1825583154 JUTSGXLLFQBUDV-HZMBPMFUSA-N 430.490 0.546 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1825641996 NDQULRYQEIOZCZ-DTWKUNHWSA-N 429.344 0.678 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826323028 XWFFFACZBWEWCM-DTWKUNHWSA-N 441.307 0.764 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049304 QWWJHKRCDNQPSF-LEWJYISDSA-N 443.353 0.514 50 20 ICGD CC(C)N(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060359 YPAMJNOUECIBOJ-OAQYLSRUSA-N 429.370 0.940 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733023 ZMZFQSCGZXNIHB-RXVVDRJESA-N 448.907 0.746 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733442 MLQRQROMOZKGFV-MDYRTPRTSA-N 426.897 0.510 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1831653762 DFGBONUJEJOKTG-BFUOFWGJSA-N 439.900 0.053 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1831653766 DFGBONUJEJOKTG-ORAYPTAESA-N 439.900 0.053 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834288481 VXJOMWQWHDQAIE-CXAGYDPISA-N 427.299 0.578 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835514056 YWOZJSJCHMSULQ-GJZGRUSLSA-N 427.354 0.306 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)nn1C 1839200199 HMYMXAJQEHWZEC-RHSMWYFYSA-N 447.305 0.743 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839286316 HOWSZUPMJVRBEE-CRAIPNDOSA-N 436.814 0.774 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1839967745 XCCDMOKGRQNEQA-YJBOKZPZSA-N 443.342 0.593 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840034624 RFVPZCRCSIABQB-BZNIZROVSA-N 429.271 0.036 50 20 ICGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1)OCC 1840282433 PYDCUVFNDBAGPX-DNVCBOLYSA-N 436.933 0.486 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487829 USQPTLCLVUDDJW-RNYZBBNUSA-N 439.310 0.730 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561466 GICIKJVQICAOOW-HUUCEWRRSA-N 440.342 0.834 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 26693488 ZPUJXPGKLMHSRC-NRFANRHFSA-N 439.403 0.691 50 20 ICGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 28780159 VJNNKYISHGUBLF-UHFFFAOYSA-N 437.297 0.058 50 20 ICGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)CNC(=O)c1cccs1 725902451 NBZOFXMFMYPUIB-FMIVXFBMSA-N 436.515 0.606 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1 728203131 GNLCVMDSVYCDIU-MRXNPFEDSA-N 448.549 0.954 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 728204232 ZEGUCVOPBOHVEA-WMLDXEAASA-N 445.497 0.732 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)c2ccccc2c1=O 731761352 HILSSFXXJDHNCC-UHFFFAOYSA-N 438.510 0.249 50 20 ICGD COc1ccc(C(=O)NCCN2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)cc1 732204209 RJHRVYGUJJFVBD-UHFFFAOYSA-N 439.516 0.504 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)NC2CCC(C)CC2)c1 744997915 XFRBFCGLAZETQF-UHFFFAOYSA-N 425.507 0.797 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 746098147 HGFHTQIDSLFCPL-MGNHCAFKSA-N 431.445 0.406 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccc3F)CC2=O)c1 746240115 WQAWTIPRILPUAZ-CYBMUJFWSA-N 434.449 0.216 50 20 ICGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1=O 746781997 VMZRBRFOYOXDOG-GFCCVEGCSA-N 442.461 0.942 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1C 747728019 RQIRWFULWFJPOY-AWEZNQCLSA-N 439.472 0.786 50 20 ICGD CS(=O)(=O)NCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747981538 RNOOUIFJSHVMTN-LJQANCHMSA-N 445.545 0.493 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl 753094068 MDTVPZFMZXHBMP-JTQLQIEISA-N 449.917 0.974 50 20 ICGD CCOC(=O)c1sc2[nH]c(CSCCC(=O)NNC(=O)CO)nc(=O)c2c1C 753439739 SGSTUOVZBOIPKT-UHFFFAOYSA-N 428.492 0.233 50 20 ICGD Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 756386773 JGPVPVNBCYIUSY-SFHVURJKSA-N 441.440 0.564 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 757627634 MPPGAOFFEYHBLP-UHFFFAOYSA-N 426.520 0.835 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)Nc1ccccn1 758830389 KGCUXMAOTXNDGP-LLVKDONJSA-N 446.261 0.983 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2nc[nH]n2)cc1 759226128 GRANLPWIGBRTIS-XNTDXEJSSA-N 434.460 0.818 50 20 ICGD COC(=O)c1cn(C2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)CC2)nn1 759889880 PJCKUAQYPBXWTR-UHFFFAOYSA-N 446.464 0.180 50 20 ICGD COc1ccncc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763507798 FSPOBRCQJLYVIR-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)ncn3C)cc(OC)c1OC 763540773 ZSJSYEAPJWOLDM-UHFFFAOYSA-N 427.417 0.999 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763574498 BZQHBHPMTINSOY-LBPRGKRZSA-N 444.419 0.907 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c2ccccc2n1 763617139 UXOWJJHBBQAIMT-UHFFFAOYSA-N 445.432 0.729 50 20 ICGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 763918478 DVAKNEWUXJTBGR-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764081007 BODZKPXJPFBALS-CQSZACIVSA-N 429.477 0.632 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)c1O 764131647 RAQPPOGAWNLGQA-UHFFFAOYSA-N 441.488 0.942 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1N1CCOC1=O 764163149 HSEULJNYCDCACN-QGZVFWFLSA-N 440.412 0.741 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 764247554 SOZBHHMASSHNIW-UHFFFAOYSA-N 436.881 0.441 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 764299374 DECPOWHWTIRFAO-UHFFFAOYSA-N 429.149 0.518 50 20 ICGD Cc1cccc(-c2nnc(S)n2CCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764345352 SGKMDKXGGOFEGQ-UHFFFAOYSA-N 439.501 0.905 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764366482 BHDYAUITGYVMRD-UHFFFAOYSA-N 435.444 0.978 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O 772015576 IFYBNSDKKNPPAF-VIFPVBQESA-N 425.239 0.648 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 772889959 UQQZLUIESQHLGY-CYBMUJFWSA-N 430.914 0.165 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)c2ccccc2C1)c1ccc(-n2cnnn2)cc1 773130594 HCSRCZLYHROSPA-UHFFFAOYSA-N 427.446 0.306 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)c1cnccn1 773499145 KONJODIINDPDBL-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c2ccccc2c1=O 778526767 AJMASNGJEPBFRP-UHFFFAOYSA-N 446.489 0.080 50 20 ICGD Cn1ccnc1CN1CCC[C@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1=O 783318728 IMNQPFUXFKRIFL-ZDUSSCGKSA-N 445.436 0.229 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 784002460 PWTBPTRSNJZVFG-UHFFFAOYSA-N 449.851 0.286 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)cc1 787541486 SPYLMOKWGHODQM-UHFFFAOYSA-N 441.444 0.698 50 20 ICGD CC(C)(C)OC(=O)NCCc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 792857168 JURUIZAILUBKHR-SNVBAGLBSA-N 432.524 0.406 50 20 ICGD COCCOC1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 793680854 HDOLOIUUULCPLS-UHFFFAOYSA-N 446.548 0.814 50 20 ICGD O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794597744 ZLRQCRVUHXWHNI-UHFFFAOYSA-N 435.458 0.940 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810387442 WTPUQFMDOSVNFL-QMMMGPOBSA-N 433.215 0.495 50 20 ICGD CCC(=NNC(=O)CSc1nnc(O)nc1O)c1ccccc1OCC(=O)N(C)C 814784041 CZAJXPFCHZBLIN-UHFFFAOYSA-N 434.478 0.772 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 825649205 HICHHQUBKUQIEP-UHFFFAOYSA-N 445.501 0.773 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3ncnc4sccc34)CC2)n1 913041551 YAXUWJHXEFLHPQ-UHFFFAOYSA-N 431.547 0.968 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)nc2ccccc21 913534460 GMVVDIKKVYGGEL-UHFFFAOYSA-N 437.428 0.520 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 915478135 XKLINHPKMNZGGE-LLVKDONJSA-N 441.487 0.025 50 20 ICGD O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 916104657 CEJPEEUEUQWZFY-UHFFFAOYSA-N 446.894 0.955 50 20 ICGD CC(C)CNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916112687 DCMFSFVOLIIHIW-UHFFFAOYSA-N 428.580 0.791 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1 916253883 QQXJXMGZXBJVAT-UHFFFAOYSA-N 428.511 0.900 50 20 ICGD CN(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC(F)(F)F 916581143 MPRDTSCZPIGEMM-UHFFFAOYSA-N 439.460 0.765 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)CN1CCCC1=O 920827057 RDIACOABVHMWIM-HNNXBMFYSA-N 442.563 0.165 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921076338 QPWDNURJENQWGR-UHFFFAOYSA-N 438.531 0.765 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCc2cccnc2N2CCN(C)CC2)cc1 921248199 SOKFHKXYUIGQCM-UHFFFAOYSA-N 428.493 0.751 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)CC1 1116083553 ADXLZVGSZSRRQI-UHFFFAOYSA-N 446.570 0.987 50 20 ICGD COCC(=O)Nc1cccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1248696552 XIJKMGOXWUYZPJ-UHFFFAOYSA-N 448.505 0.709 50 20 ICGD CCc1ncsc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032216 GUHPGYTUMRYXPR-FQEVSTJZSA-N 444.517 0.461 50 20 ICGD Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779036547 AMHCGAVTBXFQAY-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD Cc1cnoc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779979094 VADHKMWXQJZQMF-IIBYNOLFSA-N 442.476 0.423 50 20 ICGD Cc1ccn(C)c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780226588 VEVOHYNFVZUKDE-AUSIDOKSSA-N 439.321 0.455 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1781218344 FJKPNYPWCFNRER-SCLBCKFNSA-N 426.857 0.604 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1781904998 IVMAKISKCVDHCB-HNSFDTNUSA-N 430.343 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782229542 IJFBGMNRCRTZAY-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783024018 SQRNTDYYZCMCFA-JTDSTZFVSA-N 439.354 0.109 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1783868584 IIMQDMLEMPIVCH-ABSDTBQOSA-N 426.897 0.812 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 1784730013 VQBCRYVDBMCVFN-KGBGCIRMSA-N 426.322 0.780 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984848 QDTNNYHDJXAOPW-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1)NCc1ccco1 1787446918 ZJCOOSMDMDUOGW-BOPAVMOTSA-N 427.860 0.966 50 20 ICGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788771085 KTZDXVYTDFMZEI-YDMUCJKGSA-N 448.358 0.148 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(F)c1 1790004481 DZROQNQWCCDVGL-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740576 BVGJFTXZLTWOCH-IBHRTIHJSA-N 436.317 0.448 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2[nH]ncc12 1796160790 RUDDALSOWHGSQS-VTEUUUEMSA-N 428.493 0.139 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CC[C@@H]2CCC(=O)N2C1 1796188606 ZCMXYAVKZYFYLU-FLNBYBTLSA-N 439.321 0.019 50 20 ICGD Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798214777 GLQAXUITVSGABO-BJWYYQGGSA-N 438.318 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1ON=C(c2ccccc2)O1 1798329486 OZZVSKRIXJEBBW-MPWIWIEXSA-N 443.504 0.732 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(NC(=O)C2CC2)cc1 1799438083 POTNVKTYRCDGCQ-CYGHRXIMSA-N 435.908 0.838 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800640056 INQYMFZJYZYTRG-LKQDWFRTSA-N 442.310 0.065 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800640295 POSCHTCUGNCIEM-WJNVRWDZSA-N 444.286 0.554 50 20 ICGD Cn1cccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805351193 MSJHLSKWABFMGT-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806852761 PNFRLQATPCMTTK-OLZOCXBDSA-N 443.342 0.989 50 20 ICGD Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807360017 GIXPKKCAJNFQQU-PGRDOPGGSA-N 447.304 0.355 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374587 ICQDXABKIYDPHP-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809507454 BLJWUWYCRKOQKQ-OAFZBRQQSA-N 438.488 0.171 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969405 UZIDTMVBETVHAI-UHFFFAOYSA-N 429.326 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C2(F)CC2)[C@@H]1c1cccnc1 1810305297 JYXADJRNXQNPMD-WMLDXEAASA-N 426.452 0.902 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813175764 VHRYEYYPNQVUOG-HRAATJIYSA-N 444.564 0.864 50 20 ICGD C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815211477 JZWRLEUMBKIQPT-RDTXWAMCSA-N 426.282 0.987 50 20 ICGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815293596 IAECKUSYNFGENN-ABAIWWIYSA-N 442.480 0.226 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C(=O)c1ccco1 1815350190 JMWYXUURSGAXLH-ZDUSSCGKSA-N 439.258 0.525 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470335 PBCAEPSQXMQLNS-SFHVURJKSA-N 441.297 0.264 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416679 KSJTWSATHYFOGQ-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n1 1827051365 VJZSMWLKDNFBSK-SFHVURJKSA-N 425.298 0.042 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738299 MUISYIVSJAGCRF-QFBILLFUSA-N 432.851 0.563 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)n1ccccc1=O 1833312632 TWILGDAYGCSQMG-QAPCUYQASA-N 438.956 0.581 50 20 ICGD O=C(CSc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836115581 IARMYPXPZZEHPY-INIZCTEOSA-N 435.333 0.829 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c1 1836199619 BTZIXLGOOCCJCR-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C34CC(F)(C3)C4)CC2)CC1 1836903937 BEORNLAWQUUWFC-UHFFFAOYSA-N 444.312 0.871 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198973 PKWWKDFQGNUSEC-BFQNTYOBSA-N 425.295 0.540 50 20 ICGD O=C(c1ccncc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200793 NGBYMYXZBUREIR-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839962642 MMBKTAOPVRDBKV-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839963314 HRNRZWNSVAVKMD-DYVFJYSZSA-N 429.315 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1840151568 GEXJBNXMTRWKIJ-SYNHAJSKSA-N 440.928 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccc(C)cc3)C2)C1 1840155449 CFYPMYUZLSZTIB-DYESRHJHSA-N 438.908 0.888 50 20 ICGD O=C(O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)ncn1 1840186659 RVJPLADIQNCDBU-MRXNPFEDSA-N 433.248 0.049 50 20 ICGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2nccn(Cc3ccc(F)cc3)c2=O)C1 1842241775 BOQCJULKUBEBND-INIZCTEOSA-N 448.882 0.847 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cn3c(Cl)cccc3n2)C1 1843661450 RFDSSGXXPFOGIR-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847406182 MFFMZSZPYVNYPI-PMACEKPBSA-N 426.253 0.790 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 10258348 LLYFQBYIEDSQHE-UHFFFAOYSA-N 437.526 0.201 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 14770956 JLSANXLOTUSRDD-LBPRGKRZSA-N 425.488 0.728 50 20 ICGD COc1ccc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 15888805 QOONFVCOMSKIKR-UHFFFAOYSA-N 432.458 0.657 50 20 ICGD Cc1cccc(C(=O)N2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725872754 RMFATFDECXKWFS-UHFFFAOYSA-N 427.461 0.907 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CCSc2ccc(F)cc2)cn1C 726767314 OQPCQMSEVYRQRU-UHFFFAOYSA-N 429.499 0.476 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)NC2(CCCC2)C1=O 728210898 AAUNMOZLILGCND-LBPRGKRZSA-N 435.506 0.824 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCS(=O)(=O)c2ccc(Br)cc21 729819382 ISRSDUKTEFSNPC-MRVPVSSYSA-N 438.325 0.385 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cn(CCC#N)c3ccccc23)c(=O)n(C)c1=O 730570922 NJTYDMQCHUVCNN-UHFFFAOYSA-N 425.474 0.590 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NCCN1CCN(Cc2ccccc2)CC1 730823601 VSCLHSJLDFGMFQ-UHFFFAOYSA-N 427.505 0.919 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734240865 VWEPWBDDFLERFK-UHFFFAOYSA-N 429.499 0.372 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 741672368 ZPOMVQHFALEKGN-UHFFFAOYSA-N 439.515 0.604 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)c1nnc(O)c2ccccc12 743845600 VSDMLJJXAHBNKW-UHFFFAOYSA-N 444.407 0.734 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2c2ncccn2)c1 747348523 MNACBEWUSYUIBM-QGZVFWFLSA-N 446.533 0.937 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)cc1 747406798 ADGVYFOZHVOAGE-UHFFFAOYSA-N 428.426 0.673 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Br 747609333 RRHFGSXFYZLYAJ-MRVPVSSYSA-N 442.313 0.137 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747719281 LMUDNPUGKFIPMC-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD C[C@H]1C(=O)Nc2cc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N1C 750570805 SQSPATRETYNMCP-NSHDSACASA-N 441.400 0.990 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCOC(C)(C)C3)nc2)CC1 754672478 APMMWKBRSXVWCN-CQSZACIVSA-N 426.543 0.601 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2S(C)(=O)=O)c1 755582291 CPAJISYJUYLZAT-UHFFFAOYSA-N 440.503 0.807 50 20 ICGD Cn1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-] 755946161 YAWXTTYEZYNNFY-UHFFFAOYSA-N 437.434 0.029 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756098081 SOUIKNHSQXSUGI-ILRDRHFLSA-N 426.473 0.765 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)NNC(=O)[C@@H](C)OCCOC)cc2)CC1 757582918 QPALOJILFOGRLX-MRXNPFEDSA-N 435.525 0.597 50 20 ICGD Cn1c(=O)oc2c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cccc21 757795948 QQUJMTUBZKYFTO-HNNXBMFYSA-N 427.369 0.276 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 764232112 RFGCETLSIVGAHQ-AWEZNQCLSA-N 428.470 0.110 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1S(N)(=O)=O 764278632 SNYHCFJWTJPBEE-UHFFFAOYSA-N 434.474 0.321 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@H](CC)c2ccccc2)c1=O 764328245 NIMKGVNQWHJFMV-OAHLLOKOSA-N 428.445 0.691 50 20 ICGD O=C(COc1ccc(F)cc1F)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733976 TXMQKXMUFMCTHW-UHFFFAOYSA-N 432.427 0.949 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3ncc4ccccc4c3=O)CC2)cc1 765753195 CCOUAABWEVWNRE-UHFFFAOYSA-N 448.527 0.670 50 20 ICGD Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cnn1C1CCOCC1 766757871 KKHBBHASUIUIKP-UHFFFAOYSA-N 441.897 0.919 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 767034936 ZTACNSGYBCCIAC-VXGBXAGGSA-N 445.401 0.457 50 20 ICGD Cn1ccnc1[C@@H](O)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 771949350 RGNQVBCQZVLHLC-INIZCTEOSA-N 425.453 0.196 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)o1 772195644 CBJQZKUIOVHLRO-UHFFFAOYSA-N 428.854 0.261 50 20 ICGD Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 773525389 PPJBLRMRTANCPN-UHFFFAOYSA-N 431.474 0.574 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2COC3(CCCC3)O2)cc1 774308701 LZQCVGFDXZUNKK-HNNXBMFYSA-N 440.522 0.632 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(Cl)cc1C(=O)O 777939382 MDMQFEOMIFFEOB-UHFFFAOYSA-N 437.858 0.881 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 784002892 WOZDGSJWXGZJEV-PMERELPUSA-N 446.363 0.423 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 787428930 NXZQJKXXQRMNIU-OCCSQVGLSA-N 428.898 0.206 50 20 ICGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)s1 788054759 RRVVZTOUUOGPRO-UHFFFAOYSA-N 429.476 0.984 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793039425 MFEZLABDBUGAKH-UHFFFAOYSA-N 428.199 0.066 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1C(=O)O 793446429 GMWQUMGPQWQSEH-QMMMGPOBSA-N 429.842 0.210 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 794077174 QPWQLZMQJWGPSM-IRXDYDNUSA-N 444.469 0.764 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 795081547 UDLFUAXRMHODDK-JTQLQIEISA-N 425.413 0.895 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)c1 795301237 DMKYICHAFBZJOR-UHFFFAOYSA-N 445.457 0.736 50 20 ICGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@]2(CCCOC2)O1 796502955 GOGKABBBRRXHBV-UGSOOPFHSA-N 425.511 0.604 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(C)c1 797092626 HIEWOICSASUYNE-UHFFFAOYSA-N 438.444 0.096 50 20 ICGD COc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368982 KVKSIKJBOVOQSP-UHFFFAOYSA-N 425.401 0.579 50 20 ICGD Cc1c(NC(=O)C(=O)NNc2nccn(C)c2=O)cc(Br)cc1[N+](=O)[O-] 797539530 ZFEKGUGGJXATJH-UHFFFAOYSA-N 425.199 0.841 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c2ccccc2n1 799010753 OIRHNPWNOXJIEL-INIZCTEOSA-N 425.489 0.485 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNc2nccc(OC)n2)c1 799835223 NROPJPCMMSAGPB-UHFFFAOYSA-N 436.494 0.954 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)C1 807380352 UUSDHCLJUOOPHA-HZPDHXFCSA-N 437.566 0.955 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1 812732478 INTBIDCPHLJYOC-UHFFFAOYSA-N 437.503 0.745 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 812920583 VZQWBLUVMDHKJH-UHFFFAOYSA-N 449.489 0.988 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 813033490 VZLANOREXQSLFM-UHFFFAOYSA-N 431.474 0.755 50 20 ICGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 913416825 WBXHIBHZTGCLRK-LVWOJMJRSA-N 431.470 0.954 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914777341 LRXJGMHCMWIVGY-RISCZKNCSA-N 443.909 0.535 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 915186247 NKZZZZAZZVIOGP-UHFFFAOYSA-N 434.430 0.691 50 20 ICGD CC(C)N(CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C 915891593 WADULEPGRMUVFX-UHFFFAOYSA-N 441.602 0.763 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2COc3ccccc3C2)cc1 916639033 OKOVVDQFOZMHHU-INIZCTEOSA-N 432.502 0.950 50 20 ICGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 919810680 XEMUCPDIBOHTRC-UHFFFAOYSA-N 434.474 0.741 50 20 ICGD NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 920931776 BJKFFVBBBFWLEP-GOSISDBHSA-N 449.475 0.579 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)s3)CCO2)C1 1779028278 HZLUWPKEBGLADH-IBGZPJMESA-N 433.465 0.643 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779204895 YXOMANGIFGMBFP-BLLLJJGKSA-N 429.246 0.541 50 20 ICGD CC(C)(C)n1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)nn1 1780189596 MXDIPOVIAIHIKJ-QMTMVMCOSA-N 427.933 0.760 50 20 ICGD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1780902094 VIZAQJWJMOGJQG-OWZDWXTDSA-N 441.887 0.374 50 20 ICGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)[nH]c1C 1781326261 MMDQXGGDDSUIMK-WBMJQRKESA-N 431.262 0.521 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1781858495 LSAHKFRIDZPMPC-BEFAXECRSA-N 445.589 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1783265039 PFNDAOPTESDOHT-AWEZNQCLSA-N 429.732 0.560 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783355881 ZFQOUMKHUVDCGQ-JCURWCKSSA-N 435.315 0.606 50 20 ICGD COc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783934093 XVPHGUHXMMNIJA-FQEVSTJZSA-N 437.472 0.046 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786259987 BJMSGTVKKQGASO-KWBADKCTSA-N 430.292 0.024 50 20 ICGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)n1 1786406036 NHTUXYWRQUTWTQ-DZKIICNBSA-N 443.342 0.908 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787446630 UOKYFEAIQKAAQL-YLXLXVFQSA-N 427.864 0.109 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788565472 LGNWWZXWGLHTLH-VLJOUNFMSA-N 437.310 0.364 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21 1788610986 DIUWWPYSEJZGEA-WBAXXEDZSA-N 447.511 0.951 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1792545225 ZDMGIOIIQYWMNA-LXTVHRRPSA-N 445.944 0.481 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793349712 USUYCMLACORFSP-BFEVCPCASA-N 430.465 0.211 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1795111405 ISJGXXVVWLJRRX-ZSBFGKGUSA-N 430.343 0.764 50 20 ICGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1Cl 1795736688 BBXPJRHVZZJPAZ-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191358 CHOFTOFXFGKKEB-ACDBMABISA-N 449.316 0.648 50 20 ICGD O=C(COc1cc(Cl)ccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191936 RMEFPZNKAUNVFI-BCDXTJNWSA-N 443.696 0.746 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ncccc12 1796879389 AHHYBELEVUFVKG-HBCWATKFSA-N 428.493 0.139 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1798522278 MVHKIKOPWXAOOO-GTYSZEQSSA-N 447.444 0.902 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1799269044 RGSRVSTZWVXLRG-OCVGTWLNSA-N 449.895 0.899 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800158467 SQFMBSPKIDSVGD-MGGVOPSTSA-N 434.924 0.596 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007666 AKECCBGIKDOGBW-FRJNNAICSA-N 435.315 0.365 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCSC1 1802053586 RIUHVASQAXUXFM-GLPAEGGISA-N 447.561 0.853 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802654043 MZMQNPYUGRCKQB-GHTZIAJQSA-N 425.294 0.506 50 20 ICGD O=C(CCc1cn[nH]c1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804499819 FOASPPCGCNMJTQ-UGKGYDQZSA-N 447.304 0.437 50 20 ICGD O=C(CCc1cncnc1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967082 RZTMPPLIQQQVMD-UHFFFAOYSA-N 436.321 0.634 50 20 ICGD CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815341064 SSQXRFOHLXINOU-AWEZNQCLSA-N 439.306 0.648 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)c1 1817472117 IYTNELQNTCHHEF-SFHVURJKSA-N 432.249 0.909 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)[nH]n1)c1ccc(B(O)O)cc1 1817474241 BJMABDVLOWFZOO-IEZWGBDMSA-N 440.309 0.947 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817475922 VCUKONPAVYTOCP-LJQANCHMSA-N 448.292 0.818 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)c1cccc(B(O)O)c1 1820529753 UDYFPBWPQAWMFU-CYBMUJFWSA-N 441.274 0.448 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055891 NQHJCGURAWITIR-NRFANRHFSA-N 443.353 0.468 50 20 ICGD Cn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925174 GTFQZUHYOVVEJG-GOSISDBHSA-N 439.520 0.966 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C=CCN2)CC1 1828926294 DAYIULYCUWITQR-RBUKOAKNSA-N 426.521 0.446 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829705960 NFIBAPGREROXPY-APWZRJJASA-N 434.002 0.899 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1CC=CCC1 1833269354 GVBLQKJXHJMNJE-GOSISDBHSA-N 439.365 0.908 50 20 ICGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CBr)CC2)CC1 1833435835 GWLMAWPTNMQFCA-CYBMUJFWSA-N 431.375 0.725 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833502465 QTZKTCMNXODPGH-HRAATJIYSA-N 439.601 0.338 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)s1 1834822321 HHJJEZOUZPUYDI-HNNXBMFYSA-N 433.328 0.580 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717096 HRWQNJAXSYUOIC-HNNXBMFYSA-N 436.900 0.336 50 20 ICGD O=C([C@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1836719048 KPKLJRDRMVETNA-CVEARBPZSA-N 436.958 0.162 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C(F)(F)Cl)CC2)CC1 1837921023 SYEPXVNZSGBFOF-UHFFFAOYSA-N 444.671 0.810 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956904 RPNMWPMGCRRZSD-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD O=C(c1cccc(O)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198021 QBZKZSUEZMQKHP-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839561963 BOUIUXUWEMEEBL-YLJYHZDGSA-N 436.896 0.658 50 20 ICGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840030301 IFZVQFUTWHAVMF-APWZRJJASA-N 446.386 0.958 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031439 QBIUSIMIDUXFDM-QAPCUYQASA-N 443.342 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1840152168 ZZHFUGLKSCZWRK-KDOFPFPSSA-N 430.910 0.884 50 20 ICGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840343517 LQCBSMUAUMOYGS-CDDNYBJESA-N 431.262 0.570 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840801740 IYKMRCFPCHMUKX-RDTXWAMCSA-N 437.896 0.892 50 20 ICGD COc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)[nH]c2c1 1843011284 OHWRPVZVMRPUTL-UHFFFAOYSA-N 433.273 0.987 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CBr 1847498375 DBJATCUBEBXPMI-SDJAHQOYSA-N 433.299 0.714 50 20 ICGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc21 12969467 SQXYHPXRGISRAT-UHFFFAOYSA-N 437.503 0.122 50 20 ICGD CN(C)CC(=O)NNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 727761538 MKAPDHQFEXXFPJ-HNNXBMFYSA-N 446.533 0.432 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 728210831 WIICHEPPPMJXHP-UHFFFAOYSA-N 443.485 0.936 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2c(C)nc3cc(O)nn3c2C)n1 728734373 ZKIGURYFIJHWLV-UHFFFAOYSA-N 446.489 0.683 50 20 ICGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1cc(F)ccc1Br 728746763 DNIQMPLRPRZJDP-UHFFFAOYSA-N 425.280 0.860 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cocn1)N(S(C)(=O)=O)CC2 729516133 QRWLCSGGDFANOF-CQSZACIVSA-N 438.462 0.402 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1S(N)(=O)=O 730842922 VWUTXDSSFFBSRN-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 732195230 KUODONCMCYBPET-CQSZACIVSA-N 441.510 0.483 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3=NNC(=O)C3)c2)c(C)c1 732259320 PBVRZRRNOQZFQX-UHFFFAOYSA-N 429.458 0.741 50 20 ICGD Cc1nn(C)cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 733214835 LAPMBONRSXTVSP-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734240284 MRQOTEWGJLRPEG-ZDUSSCGKSA-N 435.547 0.436 50 20 ICGD CN(C)c1nccc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n1 740108268 VGTGMIRKRAKXGM-UHFFFAOYSA-N 449.537 0.386 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 744621405 WLHLIJTYDPZNRR-INIZCTEOSA-N 436.534 0.799 50 20 ICGD CSC[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 746553382 KBGWBMRBOJKFPD-BZUAXINKSA-N 443.529 0.931 50 20 ICGD Cn1ccnc(NNC(=O)CNC(=O)c2ccccc2I)c1=O 747945807 RCPYUGCZHISREZ-UHFFFAOYSA-N 427.202 0.258 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 748696607 NHQUKADYDBFWFC-UHFFFAOYSA-N 438.466 0.266 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)cc1OC 749461004 SKYQPIDEVMLEJS-UHFFFAOYSA-N 447.580 0.955 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 751202036 OWDDBTYQXKCYEX-LLVKDONJSA-N 449.261 0.972 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 756711525 KFHNIMSTNGHLKY-CYBMUJFWSA-N 428.511 0.948 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc3ccccn3)cc12 758841305 WXOCOUMGDXPGHW-JTQLQIEISA-N 429.462 0.243 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 763552334 YLPPZMMKYVWDMO-UHFFFAOYSA-N 446.441 0.256 50 20 ICGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763791381 QQQXNWSFORPZPT-UHFFFAOYSA-N 445.439 0.827 50 20 ICGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)cc2)C(=O)N1 763973948 IICOROPHMIFLOS-LLVKDONJSA-N 444.831 0.651 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1-n1nnnc1C1CC1 764024385 FAXJPMFPFBOUCS-UHFFFAOYSA-N 441.473 0.938 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1 764040353 GDIJXEZISJLFPM-UHFFFAOYSA-N 446.485 0.901 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764153565 LTXCBWNRRVTBIK-QGZVFWFLSA-N 446.485 0.465 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1 764277365 COZOHLOZGCSGBQ-UHFFFAOYSA-N 428.445 0.578 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2I)cn1 764362741 HRJUGYHNLQPWMA-UHFFFAOYSA-N 431.165 0.564 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764405987 ZUQVJYOWGBRAOE-UHFFFAOYSA-N 432.458 0.395 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCSC2 764431914 GDABNGWBFHMWGE-JTQLQIEISA-N 443.503 0.215 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2csc(-c3cccs3)n2)n(C)c1=O 764818812 VZJKUUVRCGDLDE-UHFFFAOYSA-N 429.487 0.769 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccccc3C#N)CC2)cc1 765127355 PQNUBQUXPJPPTD-UHFFFAOYSA-N 427.530 0.994 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 765420738 NWPXOQXRQQNPIP-MRXNPFEDSA-N 448.524 0.866 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)n[nH]1 765588910 SELUEEWHXKQRHH-UHFFFAOYSA-N 428.449 0.957 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(F)(F)C(F)F)CC2)cc1 766636762 UOUKQVMXZWJISJ-UHFFFAOYSA-N 440.419 0.349 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768240397 WCTDVDGALBHGGH-INIZCTEOSA-N 433.428 0.629 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NNC(=O)C(C)(C)O)c12 768245940 GHOCEQOHUZRVCO-LBPRGKRZSA-N 435.506 0.509 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 772146762 UUZKZWWJTOXBAX-LBPRGKRZSA-N 428.463 0.501 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 772897867 NBXOVQLDXGCVQD-UHFFFAOYSA-N 438.831 0.907 50 20 ICGD CS(=O)(=O)C[C@@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 774279773 MYDBWWIIPOCHFD-MRXNPFEDSA-N 429.462 0.392 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 776076179 LASBZQBVCCEOPU-HNAYVOBHSA-N 425.507 0.749 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)cc1F 783326337 CKQXLAXONUHUJQ-LLVKDONJSA-N 446.439 0.996 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 784004291 VUUINOZIXBMWHK-UHFFFAOYSA-N 430.421 0.589 50 20 ICGD COC(C)(C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 785183423 XMMQSKWFBKNYRC-UHFFFAOYSA-N 426.539 0.264 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CC(C)(C)O)N(S(C)(=O)=O)CC2 792628027 DWJXIXWWMZPNTK-CQSZACIVSA-N 443.522 0.261 50 20 ICGD C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369486 ZNKHLVRVVCHZSW-CYBMUJFWSA-N 428.449 0.866 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 798118420 WSXVVHZOJIWKHJ-UHFFFAOYSA-N 442.444 0.995 50 20 ICGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802028061 IKTOTRZHBCDOSK-SFHVURJKSA-N 434.815 0.916 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 805879132 CNAJVBZLMHBSQS-NXEZZACHSA-N 443.530 0.919 50 20 ICGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 806979705 BZRHQTREDFCROD-LLVKDONJSA-N 433.202 0.101 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 807136829 BAQWOQKNEICJSB-ZDUSSCGKSA-N 435.550 0.896 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1nc(-c2ccccc2F)cs1 815691996 HBPDNJUOWMJJFL-JTQLQIEISA-N 429.437 0.889 50 20 ICGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 816805710 GNFIKMNXFJLDHF-UHFFFAOYSA-N 444.473 0.403 50 20 ICGD O=C(CC1CC1)NNC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)CC2CC2)N1Cc1ccccc1 819109327 CEFACBSMEIOWHZ-KDURUIRLSA-N 441.532 0.915 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)[C@H]1CCS(=O)(=O)C1 821135933 WLJAOXKEXRHEFJ-QMMMGPOBSA-N 441.314 0.344 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 914748913 NRVYJRUZWSYCPZ-UHFFFAOYSA-N 434.430 0.012 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1 916124262 XHLMFDKZVZUOBZ-UHFFFAOYSA-N 435.506 0.938 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267282 GJAGSDNXPHBYFT-UHFFFAOYSA-N 431.472 0.537 50 20 ICGD NC(=O)COc1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 916376231 YJAIJLKAPUAUMT-UHFFFAOYSA-N 440.504 0.916 50 20 ICGD CCC[C@H](C)N1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 917982136 OJSPTAVGNFBNLO-GRDNDAEWSA-N 433.461 0.554 50 20 ICGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)Cn1nc(C)cc1C 919809926 KFMSGUBTFSJZOS-LBPRGKRZSA-N 438.466 0.700 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 1320872260 IZTDZADJDWQHNF-ZDUSSCGKSA-N 429.520 0.534 50 20 ICGD Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 1326427952 WBZGGAOAIZJYBV-UHFFFAOYSA-N 436.675 0.558 50 20 ICGD Cn1ccc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c21 1777967784 LELLCYXDXOMCTG-XMMPIXPASA-N 447.300 0.615 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CBr)C2 1777976795 GUNNUGUPOIMDSI-HNSFDTNUSA-N 447.374 0.978 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1)C(=O)O 1780771230 HKMUYEUFHPWILE-RLSLPTNOSA-N 438.294 0.254 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](O)CC2)C1 1782322865 XETQCMWNSQVWKO-UGTJMOTHSA-N 444.337 0.045 50 20 ICGD Cc1ccc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)o1 1782647985 IGMNTDIOZYZRQW-NFBKMPQASA-N 440.305 0.638 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783382625 IBHPLYLAOVBSPT-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1783870206 VYUOANBPCHAIDB-QFBILLFUSA-N 444.937 0.787 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979996 XMNIUSMIXNQNQX-QFGUZTHCSA-N 440.330 0.735 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1787506981 CWXJHQMZGXGBBA-RPIBGLMYSA-N 428.493 0.650 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccsc4n3)[C@H]2C1 1788392412 DLZDWHMGBIGDLS-DZKIICNBSA-N 448.549 0.362 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc(C)c1O 1791292148 ASXSCKYINLULPD-WDSOQIARSA-N 446.548 0.975 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1792868002 QAHANQIKQULOEU-CNRIWFPOSA-N 425.327 0.702 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)n(C)n1 1794628295 DSTRBJGVNFMSMR-ONMDDFKGSA-N 427.465 0.512 50 20 ICGD CCOc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn1 1794648272 XHGABVOPUWJECC-BTTYYORXSA-N 439.476 0.439 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc2c[nH]nc12 1795735933 KOCBUWVYHSAIHD-RMFSNUHRSA-N 448.288 0.068 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2)c1ccc(B(O)O)cc1 1795736893 PHJNAXFHRQRAFK-WQIFRTTPSA-N 434.301 0.373 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796386833 FNEXJOSQEBGYGV-NOHGZBONSA-N 430.914 0.344 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797025631 VTPDZPVKZZGJSZ-GUIRCDHDSA-N 436.310 0.964 50 20 ICGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Cl)C4)cnc2s1 1797063098 ZHTHQTPGHALQJE-LFSVMHDDSA-N 428.873 0.802 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 1797750849 SHRSRQVPVLWJHM-CULMDFNYSA-N 433.852 0.449 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(F)ccc2n1)c1cccc(B(O)O)c1 1798090308 RBZHYLPVIZJJCE-BCDXTJNWSA-N 436.252 0.719 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800283851 FABZBVJONXDICY-OQMKEHIESA-N 426.857 0.364 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2 1800970985 NIDAKGIVXOZVED-RBZJEDDUSA-N 447.960 0.991 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnnc1 1805486539 NHFRLLVAHJYSFF-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](F)Cl)[C@@H]2c2cccnc2)c(=O)nc1O 1808320387 ZEBVKTZDNUNXMA-KBMXLJTQSA-N 437.859 0.893 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2 1815066720 MZCSPTCJHSONID-CVJICSNFSA-N 436.307 0.338 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2)c1cccc(B(O)O)c1 1815361645 MDEXKUAJBBIULT-HWMZRRJGSA-N 441.318 0.616 50 20 ICGD O=C(Cc1ncccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815997259 SLPVOKPRVYFBMF-KRWDZBQOSA-N 434.265 0.428 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@H](F)Cl)sc3C2)CC1 1817123064 OONRYFNNXUYTCQ-NHYWBVRUSA-N 431.921 0.754 50 20 ICGD CC(C)CNC(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1818133004 VDKZRAKDZGELSZ-QGZVFWFLSA-N 441.297 0.168 50 20 ICGD COC(OC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401773 RXHPUZKWPZYSLZ-AWEZNQCLSA-N 431.453 0.333 50 20 ICGD CNC(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1824434249 BRAISBLBYFZNET-BFTFCADCSA-N 444.536 0.876 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830617796 VMUVZZYBKYKWEU-HBUWYVDXSA-N 435.359 0.881 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831874989 PRFLKKNDEGFBLR-AEFFLSMTSA-N 433.557 0.832 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)CCl)CC2)CC1 1833214826 PGDHRFIRXYKBOQ-SFHVURJKSA-N 445.004 0.974 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1C[C@@H]1C1CC1 1833246369 FLGVYLJPZIJILZ-YADHBBJMSA-N 439.365 0.598 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1C 1834120328 KKXZVWRHZNHVSN-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609450 RDFKBGMJCPRBCP-KBXCAEBGSA-N 443.294 0.883 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834693733 CRWDQYDMDDQBPA-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826378 NAUDLFYEWZTBOK-XJKSGUPXSA-N 439.372 0.342 50 20 ICGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835245344 NXZHMILQNQFLLW-IRXDYDNUSA-N 427.325 0.342 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837140803 GHUQSHSAJQNGMV-ACJLOTCBSA-N 442.925 0.374 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1837711462 JBGQVQORFRAVKE-HXUWFJFHSA-N 436.585 0.717 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805392 JYULYPSCVIOQSH-SUMWQHHRSA-N 446.298 0.410 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840034623 RFVPZCRCSIABQB-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840151505 FEMJIUUXLWRDEB-FOIQADDNSA-N 441.912 0.877 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1840153156 GAXXYEYLAFAJSW-UWJYYQICSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840155800 ICQDEULKKHZAGY-OXQOHEQNSA-N 426.897 0.645 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841558068 MITUODSHKIFCPF-LJQANCHMSA-N 448.483 0.695 50 20 ICGD O=C(c1cccc(-c2cnccn2)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014369 CFJICUBQPZEBTB-UHFFFAOYSA-N 442.284 0.954 50 20 ICGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414215 OENQSPTWGYCOAA-LBPRGKRZSA-N 426.308 0.306 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)Cc1ccc(Cl)cc1 10405212 PPTWBOBAWOGJPF-UHFFFAOYSA-N 433.896 0.891 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 24630964 IBDRMGDANBORIH-UHFFFAOYSA-N 431.630 0.422 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCOC[C@H]3CCCO3)cc2)CC1 728216085 PVMACVDZOXWYOI-QGZVFWFLSA-N 426.539 0.652 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 729231424 VWZMVVTWEMNTOV-RHSMWYFYSA-N 434.474 0.956 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 729626205 LKQXRHATPFQBJD-JKSUJKDBSA-N 448.520 0.806 50 20 ICGD CCNS(=O)(=O)CCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 731680594 PGTSXVYJQNPASJ-SNVBAGLBSA-N 437.316 0.486 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@H](C)O1 732264634 VYOOVQZVAJDFGS-KBPBESRZSA-N 444.579 0.793 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)C1=O 733142593 MZURQKIKXUKBIN-SFHVURJKSA-N 449.467 0.182 50 20 ICGD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 733732027 RWFQZLMIAPFJMX-CYBMUJFWSA-N 425.488 0.407 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2CCCCCCC2=O)CC1 735117551 WUBUUSYUNJKJKD-UHFFFAOYSA-N 438.554 0.254 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 743829843 FIEDZYJTDAVIKT-UHFFFAOYSA-N 445.457 0.608 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 745108640 NWYQIHDFZNZGPR-QGZVFWFLSA-N 434.408 0.381 50 20 ICGD CC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCOCC1 746426136 MVWQEZWEAHWDQH-QGZVFWFLSA-N 440.570 0.849 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1C(=O)O 753770570 RFHVBEGLNCAUBU-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)cnc21 755515540 CJNIUMUHRTVLEV-UHFFFAOYSA-N 442.911 0.596 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNc1ccc(C(N)=O)nn1 757404206 LJBFGUHRCMBJLF-UHFFFAOYSA-N 430.446 0.712 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 758035980 PCTQJMBHYKEQSF-CQSZACIVSA-N 445.501 0.700 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 758048279 RMTAELOXLCXGFZ-SJKOYZFVSA-N 431.470 0.840 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNc2c(F)cc(F)cc2Br)CC1 759470310 ULKYWMPYEUODBX-UHFFFAOYSA-N 427.271 0.748 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 760439344 JYYGGCWFBBULPI-UHFFFAOYSA-N 428.511 0.802 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 761632987 KSEBSJCMVQEYLT-UHFFFAOYSA-N 443.485 0.503 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2nccc(N3CCOCC3)n2)C1=O 762854691 GHYZGJYRUSBBQN-HXUWFJFHSA-N 443.439 0.363 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)n[nH]2)cc1OC 763146106 BJWXFOWGIBFNPP-AWEZNQCLSA-N 444.492 0.265 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763467280 AQWLNFLHEUHRKD-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(CN2CCCC2=O)c1 763570673 HNIPVTZCWWUOPV-GOSISDBHSA-N 438.440 0.735 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c2ccccc2O1 763602227 XLJKOMWXKUTOID-SFHVURJKSA-N 449.423 0.805 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 763802376 DCESYLIUYJZTGX-UHFFFAOYSA-N 430.373 0.921 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 763865317 KBLRRNSMEFWUHL-LBPRGKRZSA-N 429.408 0.909 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 764001837 FUJPUEHWYZYNRC-ZDUSSCGKSA-N 439.490 0.091 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)S(C)(=O)=O 764155016 VTGNZHWHHYVSNQ-INIZCTEOSA-N 432.458 0.172 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 764225705 CMERADOFOBDTJK-CXAGYDPISA-N 443.485 0.366 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764267487 WSZFVJHBIMDEAY-UHFFFAOYSA-N 444.455 0.841 50 20 ICGD CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 765134099 ICHRFLMOOMHPOU-UHFFFAOYSA-N 425.511 0.870 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@H](C)O)cc1 767302749 WBUDZRRLDDVLPK-KKXDTOCCSA-N 449.485 0.010 50 20 ICGD Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 769865523 OHPVGVNVJWRVIE-JTQLQIEISA-N 426.314 0.437 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)c1ccc2c(c1)OCCO2 770424401 PRKDAMAKRAVCPT-UHFFFAOYSA-N 428.357 0.553 50 20 ICGD C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNc1ccc(C(N)=O)nn1 771033577 OCNZYCOFUHNDLK-SECBINFHSA-N 442.295 0.891 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 771966345 OWKPBNZRBRQIBU-OLZOCXBDSA-N 429.470 0.716 50 20 ICGD CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cc2S1(=O)=O 772035492 IMPQRJOQYSZROG-LLVKDONJSA-N 425.463 0.590 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc12 777929856 FYAVSULQIFGWRA-SNVBAGLBSA-N 428.492 0.045 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNc2ccc(F)cc2Br)cc1C 784803878 XDFOEHBGIMLCBQ-UHFFFAOYSA-N 427.234 0.921 50 20 ICGD CCN(C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1Cl)C(C)C 787548231 BVIGLZFCJLQDLN-HNNXBMFYSA-N 440.884 0.712 50 20 ICGD CN1CCC(n2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)n2)CC1 787550403 UECALGUDKXLOHR-UHFFFAOYSA-N 436.419 0.908 50 20 ICGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)n1 789813360 RCHSJJZPJAPLNV-WMZOPIPTSA-N 449.471 0.938 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 793681695 JPBYAGSAHGKCRG-ADOKMVGYSA-N 434.540 0.986 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 795168734 CKJWYHBLAAPAOR-UHFFFAOYSA-N 446.576 0.847 50 20 ICGD C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 798117478 ABYNKAJANVCWEI-CRAIPNDOSA-N 438.554 0.625 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 802063872 RMMVUQGJLMNYPW-UHFFFAOYSA-N 445.457 0.715 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n1 810384313 CJVBTEYXABBTFU-UHFFFAOYSA-N 444.455 0.678 50 20 ICGD O=C(COC(=O)C(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1 812689715 GLCYWBGSULLSKV-UHFFFAOYSA-N 444.875 0.993 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)N2CCCCC2)c1 814194086 LURYLDXRYRESNR-HNNXBMFYSA-N 432.506 0.476 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 815692011 HOFISYQPEPQIFW-MRXNPFEDSA-N 429.440 0.421 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc3nncn3C1)O[C@@H](C)C2 815692471 RRNNKPRWESOVDT-RYUDHWBXSA-N 428.449 0.349 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1C 912921692 SCXDSQYPPODRHF-IRXDYDNUSA-N 440.566 0.619 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1OC 914974042 PSGDPZGBSNROQN-LLVKDONJSA-N 447.366 0.419 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)CCCCC1 916253915 SJJWYWBAANSFGM-UHFFFAOYSA-N 436.494 0.532 50 20 ICGD CCS(=O)(=O)NCCNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 916517027 WGPMWDNROCMGIO-UHFFFAOYSA-N 434.518 0.926 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 917622756 WLFZEXRBMWIPNN-CYBMUJFWSA-N 429.520 0.345 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Cn1cccn1 919779353 SGDNATGAPJNWQU-HNNXBMFYSA-N 434.522 0.948 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)c3nnc(O)c4ccccc34)cn2)CC1 1317878112 GCRUSJLRVHHHHF-UHFFFAOYSA-N 436.476 0.626 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 1324157306 KSWDHHMIHNXTTB-KRWDZBQOSA-N 435.458 0.351 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)CC1 1343738376 IBCSLTRYSOCFNU-UHFFFAOYSA-N 425.530 0.829 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780045212 LBOCATVRVZYHKM-LIRRHRJNSA-N 435.868 0.483 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1783964023 HKFWXTGFSDXQPL-UHXUPSOCSA-N 427.299 0.807 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784097234 WPUGAHJYIREKOR-VGWMRTNUSA-N 447.960 0.871 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1785392626 MPAQZLMMWVUBNR-QUAIWURQSA-N 437.447 0.996 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979150 XPGTVEMNJVBHPR-HLPPOEQASA-N 432.945 0.934 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1794036980 GRYCCZVZHDZXFT-JLUCKKNBSA-N 445.289 0.415 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)nc1)c1ccc(B(O)O)cc1 1794292275 NXPLFAISCBWWOT-REPLKXPHSA-N 425.269 0.785 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2nccnc2c1 1796189001 LFWAGGXNAKCFNI-REPLKXPHSA-N 430.273 0.875 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796400088 WFNQPZQRXFCSFH-SPCJURDBSA-N 429.348 0.777 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571165 WQWXNMOEGANDTC-CHWFTXMASA-N 438.286 0.095 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798599087 SUEZBWAXAVLQLD-OCVGTWLNSA-N 449.895 0.899 50 20 ICGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)ccn1 1799347489 OBILQTZEXAPYIH-NEBZKDRISA-N 443.273 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccc(F)cn12 1800064550 GITCFQGONRYHSK-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD Cc1cccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)c12 1800107805 CIQAKIJNULKZRS-CWPLJXCYSA-N 442.520 0.219 50 20 ICGD Cc1nc2ncccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802336248 KRKFNNZPDYFWJH-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD CC(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802654049 MZMQNPYUGRCKQB-RXVVDRJESA-N 425.294 0.506 50 20 ICGD O=C(Cc1ncccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804692955 XUBZVRWQPWGKAK-PGRDOPGGSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nccn2C)[C@@H]1c1cccnc1 1805898578 UQBVWSYXOWTZDB-APWZRJJASA-N 427.509 0.508 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cnnc(Cl)c3)C2)CC1 1807269511 PWMBXOFEZFWWBZ-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1812329647 UZHJMNVAYCAGDR-DZKIICNBSA-N 427.958 0.171 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 1814526186 YEOXXMWLIVUNRU-UKRRQHHQSA-N 433.513 0.301 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814871795 CQAUDPWZERMOHB-SLEUVZQESA-N 445.904 0.845 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815062327 JKVOCKASGDYJJX-MNOVXSKESA-N 427.603 0.499 50 20 ICGD CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350005 DABWMGVUJGVFCV-DOTOQJQBSA-N 442.350 0.533 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](F)Cl)sc3C2)c(=O)nc1O 1817132445 NINRDDCTOWRKNL-PRHODGIISA-N 429.861 0.860 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476506 UMIYPXRRRDPHEJ-AUMHUTNHSA-N 446.338 0.554 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)[nH]n1 1819402732 IWLSJAJEOVBYLI-JKSUJKDBSA-N 427.465 0.893 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1 1830177230 ATBLOVIUBAWFAV-MAUKXSAKSA-N 448.900 0.695 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1OC 1830732871 WJGSSFRHOMBWAW-YWZLYKJASA-N 442.896 0.374 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)(C)C 1831094256 QDZVROICPATQSW-SCLBCKFNSA-N 438.352 0.797 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831501873 QKVYLCFKOFZWBA-KRXQYRFLSA-N 435.359 0.881 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1831644396 WYNQVVIEUSWTMB-KUHUBIRLSA-N 427.885 0.563 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310266 OPAXJKSBIMUPFQ-KRWDZBQOSA-N 448.955 0.823 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ccc3O)CC2)CC1)[C@@H](O)CCl 1833311712 DJNXLDNQNRIUSV-SFHVURJKSA-N 425.913 0.883 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1834819624 SDYHLZCMUNXXJR-GOSISDBHSA-N 442.310 0.702 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835079282 RKORXMKUKODUAD-SWLSCSKDSA-N 425.954 0.773 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835843816 XZWYIBRRJBIHRQ-KRWDZBQOSA-N 428.587 0.647 50 20 ICGD CC(C)C1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835934175 OLUAQKHPBKPGDU-QFIPXVFZSA-N 444.337 0.263 50 20 ICGD O=C(c1cccc2cnccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837029797 DITFWMASIFKBHD-RXVVDRJESA-N 433.892 0.905 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837710208 NWBBSKRZPKNLHQ-HXUWFJFHSA-N 443.617 0.601 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837756915 KQLBSFFVVSJSTJ-RDTXWAMCSA-N 430.864 0.529 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839142365 NFWYCTNEWKXWRO-YGRLFVJLSA-N 448.797 0.815 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840153045 BIFOZVBFVJGDTP-FOIQADDNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1840155618 FOTAWBVZGUQORE-GUXCAODWSA-N 441.912 0.559 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410951 XYJSEKMPPZQHAO-MSOLQXFVSA-N 447.319 0.548 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841040486 FCUGPRSHCIYZPH-PXLXIMEGSA-N 432.550 0.373 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353764 OPFCMQUQFPICST-HZSPNIEDSA-N 431.917 0.160 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014706 RPUZUEJAKXQKOD-UHFFFAOYSA-N 436.252 0.592 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 17247525 PVUPAZBASRPDBG-UHFFFAOYSA-N 439.515 0.766 50 20 ICGD COCCNC(=S)NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 18138977 NQEISWZFXVHOSY-UHFFFAOYSA-N 438.531 0.626 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 728322124 CLCHOJSJCOUDTK-RHSMWYFYSA-N 431.445 0.166 50 20 ICGD O=C(COC(=O)c1cnc(-c2ncccn2)s1)NNC(=O)[C@@H]1COc2ccccc2O1 728341209 VFXQIVLZYBDTQG-ZDUSSCGKSA-N 441.425 0.744 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)Cc2ccccn2)nc2cc(S(N)(=O)=O)ccc21 729394751 WURJZPOQPBAYRO-UHFFFAOYSA-N 444.517 0.811 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 733516169 JTLLIWRQLXLWGA-KRWDZBQOSA-N 426.408 0.909 50 20 ICGD CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 734122697 DMNWGNPMFPFRDQ-MNDPQUGUSA-N 447.561 0.629 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 734240685 WOUIZEHWVWCAKN-LSDHHAIUSA-N 440.545 0.174 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2Cc3ccccc3C2=O)CC1 735117113 BNLDLLFRDJORBH-UHFFFAOYSA-N 444.517 0.117 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 737468785 UTWHEQXLVGVNTK-UHFFFAOYSA-N 427.417 0.033 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 737636374 LMEFJXVFBXUZSM-UHFFFAOYSA-N 447.513 0.994 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cnnn2)cc1 740809885 IYKHSBFYDXAUHP-UHFFFAOYSA-N 429.418 0.242 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)cc1 749589617 HOULMGAVBHERKJ-HOTGVXAUSA-N 425.555 0.819 50 20 ICGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 751327096 WNBMYLWMHMKIRT-UHFFFAOYSA-N 431.474 0.849 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@H]2CSCCS2)CC1 752622758 ZEZWPDOIMDMWEC-ZDUSSCGKSA-N 431.609 0.700 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC(C)C 753104955 MANLXVBGZRAVJE-ZDUSSCGKSA-N 428.511 0.708 50 20 ICGD C[C@H]1C[C@H](CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 753334278 GWSXZCPCBSRTCH-JKSUJKDBSA-N 440.570 0.849 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1COc3ccccc3O1)OCO2 753840008 NJRDRSUFKWWLCX-MRXNPFEDSA-N 443.368 0.128 50 20 ICGD Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cccc1S(N)(=O)=O 754331241 MPBOXBSFMLVJJS-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 755913585 RBKLJMFZGJOYJG-VIFPVBQESA-N 439.416 0.378 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 756336087 QFGNXTAEKFVVLJ-UHFFFAOYSA-N 440.443 0.969 50 20 ICGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)s1 757756455 TVQVQUFAPMKKBF-UHFFFAOYSA-N 445.461 0.840 50 20 ICGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 758192067 MNIYLTNKDABJHL-UHFFFAOYSA-N 443.489 0.089 50 20 ICGD CN(C[C@H](O)CO)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 760016052 WRVSZEULNJLASU-AAKUMTKESA-N 431.880 0.797 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)n1 762319329 YJUWLOGRTVOYPD-UHFFFAOYSA-N 445.457 0.050 50 20 ICGD C[C@H]1Cc2cc(C(=O)NNc3nccc(N4CCOCC4)n3)ccc2N1S(C)(=O)=O 762858140 ZWNIIGKTQKMZPP-ZDUSSCGKSA-N 432.506 0.781 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2cc(C)[nH]n2)cc1 763121162 YHFWTGWVBNTZTR-KRWDZBQOSA-N 433.490 0.925 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)c(C)c1S(=O)(=O)NC1CC1 763467450 OQVDUJFLBQYVOH-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 763569790 BRTYMBBSJQQEGN-ZDUSSCGKSA-N 440.334 0.949 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763625022 QNJVGNAWYHICAD-UHFFFAOYSA-N 434.474 0.922 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 763685487 CBKCNEVONSSIAI-UHFFFAOYSA-N 434.836 0.630 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 763838811 VKFXYNBGUCEDHT-UHFFFAOYSA-N 426.408 0.825 50 20 ICGD CCN(CC)Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763921259 KVIWHMXBRQUYKQ-UHFFFAOYSA-N 436.476 0.904 50 20 ICGD N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 764003107 YPZAGUFXMSQSKI-AWEZNQCLSA-N 442.453 0.871 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)c2c(Cl)cccc2Cl)n1 764221931 OVPPIBOYGHJRNA-UHFFFAOYSA-N 427.248 0.678 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 764525675 XCOCSSZYZKUNFX-AWEZNQCLSA-N 446.485 0.850 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1ccc(C)cc1 764673343 PDNLIIOKNIXXLM-UHFFFAOYSA-N 426.477 0.842 50 20 ICGD CS(=O)(=O)c1ccc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 764827893 LVILPPVNCCWKAD-UHFFFAOYSA-N 428.514 0.998 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 765407836 BXWIQADBFIAYSR-VXGBXAGGSA-N 428.467 0.200 50 20 ICGD O=C(NNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1csc(N2CCOCC2)n1 765632964 IZVXJTWAONTLQI-GFCCVEGCSA-N 437.444 0.969 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 765734755 DRTCCGZKHGGWBQ-IBGZPJMESA-N 449.511 0.645 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767852523 FQBRMWQRGSCVFB-UHFFFAOYSA-N 440.504 0.779 50 20 ICGD COc1cc(CN2CC[C@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2)cc(OC)c1 770410647 BQDYQYWJUDYWRZ-ZDUSSCGKSA-N 442.480 0.987 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1F 772137837 SSBPAXZARVMVER-LBPRGKRZSA-N 430.454 0.927 50 20 ICGD CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 773250421 ZNLRSVOCQJVCAZ-QMMMGPOBSA-N 439.537 0.423 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NNC(=O)c1ncccc1C 775888219 WHKSNDFRGSZQRN-DVSIDAKKSA-N 438.488 0.978 50 20 ICGD Cc1cn2c(=O)c(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cnc2s1 775896998 RSMKKRHKTUWOGV-UHFFFAOYSA-N 431.386 0.591 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776060978 BGXLXBINHYUNHX-UHFFFAOYSA-N 449.445 0.298 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCOCC1 776635212 BOGFDEBODLZPPH-HNNXBMFYSA-N 426.495 0.221 50 20 ICGD CCn1c(NNC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)nc2ccccc2c1=O 777844779 VXLRAJJSVNSRON-UHFFFAOYSA-N 447.473 0.838 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 781304875 VKQARSSSKDFPER-UHFFFAOYSA-N 427.377 0.347 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)nc1 783265820 YGNGHJQLIIHHTG-UHFFFAOYSA-N 441.539 0.999 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1cccc(OC)n1 784846651 VHFKGARBKIHBKO-UHFFFAOYSA-N 429.433 0.795 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c1 784852877 RBKRZJLYMPHQIT-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)COc1ccc(Br)cc1 792017273 FKIIFVMOXMAGIC-GOSISDBHSA-N 438.278 0.897 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 800595815 HMFOBDUZYDKZAW-LBPRGKRZSA-N 431.424 0.922 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cccc2c1OCO2 800839018 SOKWANXYXPGADU-UHFFFAOYSA-N 446.485 0.183 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 802096808 GLMFFGVOFQOPEB-UHFFFAOYSA-N 448.457 0.903 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCc2ccco2)ccc1F 806977572 PBWUXCJTMJIKOT-UHFFFAOYSA-N 426.426 0.388 50 20 ICGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033753 JXNVKXPOLUXZKQ-UHFFFAOYSA-N 445.501 0.935 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(Cn2cccn2)on1 815734521 LATJNLCHPPQGCJ-UHFFFAOYSA-N 432.462 0.697 50 20 ICGD COC(=O)c1c(F)cccc1NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 819710336 HCGUKPXLDRTBPQ-JTQLQIEISA-N 427.458 0.773 50 20 ICGD O=C(COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1cccs1 825441893 WXBXICBDOUFNJB-UHFFFAOYSA-N 447.441 0.699 50 20 ICGD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CC[C@H](B(O)O)C1 864234388 QZHYEVRLWHDXQV-HNNXBMFYSA-N 438.311 0.324 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2F)c1-n1cccc1 914445194 QBBCVYOVIXHUKP-CYBMUJFWSA-N 431.449 0.998 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 916374353 VPYJAGQJIJHFTA-QAPCUYQASA-N 443.481 0.825 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 916636752 LFKLTFXVWWBUKW-SFHVURJKSA-N 442.563 0.242 50 20 ICGD CC[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C 918225128 FMPGFRUFORFEKT-HNAYVOBHSA-N 426.539 0.986 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCS(C)(=O)=O)cc1 920851036 HBYOCPXTUPCUGI-RVDMUPIBSA-N 445.501 0.502 50 20 ICGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 920858835 HVAFVSZCHVHKND-CYBMUJFWSA-N 425.511 0.420 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1318618441 GHCQBXLKQSXXEI-UHFFFAOYSA-N 440.522 0.612 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781015873 SWLWHDHHJNTKCJ-LPMFXHHGSA-N 431.917 0.425 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782640927 NNJFQJFWHKZRGH-YVEFUNNKSA-N 427.299 0.728 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1783934517 IPBYOGVGTPKRCD-FQEVSTJZSA-N 435.481 0.055 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783948205 GKIMSQVRVJUAOE-KRWDZBQOSA-N 447.344 0.525 50 20 ICGD O=C(CCc1cccc(O)c1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784122527 GDAGJUUORSBJCD-QHCPKHFHSA-N 438.289 0.148 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785569833 VSHOTGDOOPMSTL-LIRRHRJNSA-N 433.933 0.721 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc(-n2cnnc2)cc1 1786767758 BROFBOAYEMSSEM-DKIMLUQUSA-N 433.896 0.460 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@@H](F)Br 1789923034 QHCGZUUXIJIITL-FTYOSLGDSA-N 434.222 0.602 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1790960325 AXTUASQZVDBGRR-RVMXOQNASA-N 443.346 0.473 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791394929 BXGMXEVLUCJRAB-RSLFNQERSA-N 432.304 0.127 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)C 1793075794 QQWYLRBFAJDODF-FTUNRGFVSA-N 449.460 0.740 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nn1C(F)F 1796188589 XTOCUBPJNUMCSA-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798521499 LAWBUAUZXAOHAN-ZDFLXESQSA-N 435.433 0.494 50 20 ICGD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1 1798974811 GXFVEPGEZPSSJI-XEMDLRDOSA-N 437.500 0.765 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799150276 UTGXPKRSHTUBBD-JRKAUPQBSA-N 446.317 0.668 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800394491 RKZJWAVJNRPZEP-VJTDZRGJSA-N 437.356 0.327 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1801969689 PIQDNXAIKTYMRM-AICCOOGYSA-N 433.933 0.479 50 20 ICGD CC1(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)COC1 1802669553 SNCZQQKTVGYANR-QAPCUYQASA-N 438.488 0.436 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803135946 LOEINGGIKNLNAE-OJLVUWQFSA-N 431.942 0.368 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1805252742 MFCICMMJLDHPFW-LAUBAEHRSA-N 439.520 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(N)s2)[C@@H]1c1cccnc1 1807278128 UHYWKGXCVZRQEU-KSSFIOAISA-N 445.549 0.813 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361306 HVZKWUYNUHCPJG-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371749 ZMSVPTXSAVEUGZ-LPHOPBHVSA-N 449.276 0.273 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808212472 AUSVUYZLLKMNJG-ZMFHWDENSA-N 449.515 0.749 50 20 ICGD COCC(=O)N1CC[C@@H](CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1808414882 NXVOSWUABVMWKI-RIDCJQHESA-N 426.477 0.868 50 20 ICGD Cn1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cn1 1815339616 KCMYXIMTDLJVBI-CQSZACIVSA-N 425.279 0.096 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816025830 BISRTIJMYOPJCO-RYLVXRGGSA-N 441.477 0.621 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817250968 YGNXAVWIEQCFJK-PLMOITTCSA-N 433.282 0.685 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819579832 QSTQKYYOZIKLDA-SUMWQHHRSA-N 439.281 0.086 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822658793 SWRFYTILIQGYDN-BLGFXRMMSA-N 434.265 0.832 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926799 RZPRDQHMBAJXBU-KRWDZBQOSA-N 440.508 0.659 50 20 ICGD CSc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731987 OKIOXKTXDJGQIA-KBXCAEBGSA-N 429.926 0.473 50 20 ICGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)CCC1=O 1832380864 UYKIQJSLQLUNJY-QZTJIDSGSA-N 449.335 0.287 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)c(=O)nc1O 1832771898 JHLPUNZTDWDDBF-CVEARBPZSA-N 440.928 0.477 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n1 1833094559 MDAQBVRABVWGQT-RHSMWYFYSA-N 429.315 0.431 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)CC1)[C@H](O)CCl 1833310517 LNHRBPSEHZJPKI-MRXNPFEDSA-N 432.352 0.708 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)CCN1 1836414651 WFMFDYAZXFBWBB-LRDDRELGSA-N 447.349 0.775 50 20 ICGD CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1837259973 BWDLSPWKDYDLIF-AQLVSOEFSA-N 447.492 0.127 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1 1838352190 DUPIPEAVCFIOKN-CZUORRHYSA-N 447.261 0.246 50 20 ICGD CCO/C=C/C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395452 RRRPQXUSWQRZRU-RIYZIHGNSA-N 445.520 0.848 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1838784976 BZMMJPPSSCMTBQ-RHSMWYFYSA-N 429.945 0.765 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839963435 KBFPOYRSNCQHFJ-ABAIWWIYSA-N 437.360 0.243 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1840153405 NWWGLIZRVTYWSA-BXWFABGCSA-N 434.917 0.284 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1 1841289515 DIEXRVAQOGGXDL-SWLSCSKDSA-N 440.342 0.691 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894648 ZWXQLWQJEUOXNK-OAHLLOKOSA-N 426.366 0.157 50 20 ICGD O=C([C@H]1CCc2ccccc2[C@@H]1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010541 ZMIYFNGDLXHRPB-SFTDATJTSA-N 434.301 0.479 50 20 ICGD Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844255969 MQZGCCODZCPGSS-UHFFFAOYSA-N 429.521 0.592 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264849 PIWLXDKPVSTHDP-UHFFFAOYSA-N 446.508 0.415 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1846361937 XVUUTAHPZRQHET-ZNMIVQPWSA-N 445.944 0.814 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 15795393 YMGQDKNOXMOMMJ-SFHVURJKSA-N 433.486 0.959 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc(OC)c1OC 115730235 ZYRGVYARUQLOAF-UHFFFAOYSA-N 439.446 0.864 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cccnc3)CC2)cc1 725896488 HFEXIBRBFITXPD-UHFFFAOYSA-N 445.545 0.477 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(N3CCCC3)nn2)cc1OC 726884802 PJLMMARUVFYRPF-UHFFFAOYSA-N 429.433 0.712 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 728380747 UPIFARNVMOZDLY-VQCBNXJZSA-N 442.457 0.513 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccccc2c1=O 733884669 GGFRNIFKJCUMEA-VHEBQXMUSA-N 438.444 0.484 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 734685787 HMPPUGCDJNWZNZ-ZWKOTPCHSA-N 449.552 0.590 50 20 ICGD C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744386705 PIVCHCAMWSYTJC-KRWDZBQOSA-N 426.521 0.338 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2O)c2ccccc2c1=O 748674638 VVTOBQUDMXVKOA-UHFFFAOYSA-N 446.441 0.834 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3ccco3)CC2=O)c(OC)c1 751207577 ZHBNQMRDCAIUKA-GFCCVEGCSA-N 430.417 0.227 50 20 ICGD CSCC[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N1C(=O)c2ccccc2C1=O 751212574 TVTILFIIWLOBRV-AWEZNQCLSA-N 444.469 0.575 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 753671372 PZIJYBSTOATINM-JTQLQIEISA-N 449.327 0.683 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1)OCO2 753840823 OKBDWDMTAOMREA-UHFFFAOYSA-N 445.384 0.619 50 20 ICGD NC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nn1 757398235 DOBILOMUPLDZLH-RAXLEYEMSA-N 430.490 0.731 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 758046324 HICCUXMZAIVFQU-WPRPVWTQSA-N 437.305 0.431 50 20 ICGD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 761890744 AFXKMEAGCMEDLC-QMMMGPOBSA-N 426.860 0.236 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 763758047 MQIULGFCTDKOSA-UHFFFAOYSA-N 436.266 0.614 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763840390 KPXGUEPGCHYFSP-UHFFFAOYSA-N 445.375 0.987 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1C 763853314 YGHCSVVAGGINLK-CQSZACIVSA-N 430.465 0.142 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1-n1cnnn1 763994915 JLYKNXFZZYNFIQ-UHFFFAOYSA-N 449.225 0.161 50 20 ICGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764001923 GVUOZXFTDOOVPI-SNVBAGLBSA-N 443.503 0.323 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(Cl)cc2OC)c2ccccc2O1 764011503 IBKQFBONPHHDPF-INIZCTEOSA-N 446.847 0.650 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Br)cc2Cl)n1 764058265 OKZYDBYTWQSZIV-UHFFFAOYSA-N 440.641 0.996 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1 764144106 UIDMCTYWVAWWLU-INIZCTEOSA-N 430.461 0.740 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 764177318 OKPXNJHJCPHEGE-UHFFFAOYSA-N 440.847 0.548 50 20 ICGD CC(=O)N[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)C1CCCC1 766649023 MCSXIDNYJNDTSB-JOCHJYFZSA-N 429.565 0.955 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 767169277 XTOVOSOOXFDDQS-AWEZNQCLSA-N 425.511 0.714 50 20 ICGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCOC1 780862367 XHACZOHLFLTEPZ-GJZGRUSLSA-N 426.543 0.459 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccccc3F)c2)CC1 782706891 BZSHCXVSUCIEIH-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1F 782896442 ILZIJSBTJRQVMH-UHFFFAOYSA-N 437.453 0.836 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)nn1-c1ccc(Cl)c(Cl)c1 782968131 YGHFYNPVSSVBPI-UHFFFAOYSA-N 439.259 0.852 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 783999203 BJEMUDJFYMMPKN-UHFFFAOYSA-N 429.408 0.508 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784209207 WQNXECAIUUZYGL-UHFFFAOYSA-N 432.458 0.996 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(-n2nccn2)cc1 784210345 OVNNPRXAFTYHFW-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD Cc1c(NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cccc1[N+](=O)[O-] 784349687 ANPGKVUEPTYBFJ-UHFFFAOYSA-N 431.409 0.040 50 20 ICGD O=C1CN(c2ccnc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)c2)CCN1 787134572 ASGQWNKJRMPFDU-UHFFFAOYSA-N 425.417 0.771 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)NCc2ccccc2)c1 787596671 ZYPLLANRQGYHND-UHFFFAOYSA-N 433.490 0.315 50 20 ICGD CN(NS(=O)(=O)N(C)C1CCOCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788914741 FGEZSHULACGKPL-UHFFFAOYSA-N 435.547 0.451 50 20 ICGD CCn1c(NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc2c1=O 789953421 SOJOIKCCMAXNCA-HXUWFJFHSA-N 442.476 0.475 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCc2nncn2C1 793452059 XBBZQRAVQCNYDZ-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD COc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] 793679738 APKHSZVLVARXCF-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)CC1 794999979 VUZALOWOBZMBIL-UHFFFAOYSA-N 437.547 0.676 50 20 ICGD CC[C@@](C)(OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 795180323 WTJRLJXSVVGFJE-LJQANCHMSA-N 426.539 0.264 50 20 ICGD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 795290408 MDNOPDWBTWWRQI-SSDOTTSWSA-N 445.302 0.524 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1Cl 807093066 JAGCAKNPOODBML-UHFFFAOYSA-N 444.879 0.053 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 812959012 XXRCCXKLCTXPCJ-INIZCTEOSA-N 446.489 0.836 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)s1 849194029 SIAXCISQNIZCFL-QWHCGFSZSA-N 449.576 0.039 50 20 ICGD COc1ccc([C@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)N2CCOCC2)cc1 915896436 DQQBOPKYBSNWIV-PKOBYXMFSA-N 426.539 0.450 50 20 ICGD CCC(CC)[C@@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCOCC1 916255937 IVSXNNGUOZBLMP-GOSISDBHSA-N 430.513 0.743 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C 916562696 SSMCPLAVIJKQJI-UHFFFAOYSA-N 429.458 0.240 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)Sc2nncn2C)c1 917900866 HRNDTCIHJBOOCV-GFCCVEGCSA-N 440.551 0.787 50 20 ICGD C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])C1 919886452 TVMOSPWLWQUNIK-GXTWGEPZSA-N 439.494 0.962 50 20 ICGD O=C(CN1CCCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1ccc(F)cc1 920087559 IUTQJWVNOMMPIU-UHFFFAOYSA-N 434.493 0.983 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 920406066 KDGAMMRFMQMUMV-CQSZACIVSA-N 432.502 0.841 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1cccc([N+](=O)[O-])c1 921018697 AKJKGKOCGAIRIQ-UHFFFAOYSA-N 439.475 0.735 50 20 ICGD CCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 921042594 COCZNNIUTZPIRA-UHFFFAOYSA-N 430.483 0.079 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 921301878 MKYCZZBUMFTAND-UHFFFAOYSA-N 434.902 0.633 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1 1318541729 OKWPYYHXSCFNGQ-NSHDSACASA-N 436.877 0.802 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779550737 UENFDIWIIZGLHJ-KURUZVKSSA-N 443.460 0.349 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)n1 1781330204 TWHDAXKGWXSGHI-CJNGLKHVSA-N 433.278 0.664 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782316419 AROKYTRTBRPRRO-UPRAQXHNSA-N 446.331 0.662 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783245488 CJAPZTXCKQFPJV-PDPLOHQNSA-N 426.322 0.636 50 20 ICGD CC(C)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783933967 PGZYPJOYIFQJEP-PZJWPPBQSA-N 425.574 0.212 50 20 ICGD CCOc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935376 OFRDRIWINCMKGQ-QFIPXVFZSA-N 432.521 0.902 50 20 ICGD C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791268765 ULLIKWXYCCWPFV-MPKALDKKSA-N 427.505 0.904 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1791282672 CXVVJQFIHHERFB-XMDUPGNXSA-N 430.574 0.433 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1792184041 BWYICQIEPOCSAP-SBJFKYEJSA-N 436.322 0.961 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3cnccn3)c1)C2)[C@@H](O)CCl 1792981347 WBMLIAFYBXZDHB-NBMJBFSESA-N 430.892 0.947 50 20 ICGD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881089 OHNJWAJQDNTFMM-DGADGQDISA-N 446.976 0.706 50 20 ICGD COc1cccnc1CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190189 ZHEQEEINGFUPEN-REPLKXPHSA-N 437.305 0.655 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2 1797757034 ZNVJAWQOFMZDES-RMFSNUHRSA-N 449.511 0.303 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799190671 URSIAEQWGDMWSP-MHORFTMASA-N 426.989 0.764 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800158468 SQFMBSPKIDSVGD-NZKYLMMGSA-N 434.924 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 1800968292 XVCFPSWOVQCQTC-NEXGVSGLSA-N 430.929 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1800974099 KIORLAQFJMUKQD-JXUBOQSCSA-N 434.770 0.185 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1802084394 ZZRMMOHPIRAKTP-IATJYDTKSA-N 445.944 0.479 50 20 ICGD Cc1ncoc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805854222 NYBBNGBINUKNPU-IEBWSBKVSA-N 434.261 0.691 50 20 ICGD CC(C)(C)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807092228 BFUJHNSYMCFQQN-GHTZIAJQSA-N 438.337 0.469 50 20 ICGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@H]1c1cccnc1 1807196678 NIFWAIQMOQXYLV-NEBZKDRISA-N 444.305 0.371 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1807369395 IQEXYMLZCREBRW-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cn[nH]c2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369604 PUVPGTZLQPWMHL-SIKLNZKXSA-N 447.304 0.437 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979808 BAKLIYVMNGQZRT-DTQAZKPQSA-N 427.310 0.251 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)no1 1813071703 WFTPFVKNXPTULU-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)C1(O)CCC1 1814422357 KUBYZRGJCDVSOC-KSSFIOAISA-N 440.309 0.947 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815254139 MXRYGEYAWANVQV-IXDGSTSKSA-N 428.298 0.802 50 20 ICGD C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470460 RMSPWJUXHHHFSJ-RDTXWAMCSA-N 426.282 0.987 50 20 ICGD Cc1n[nH]cc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1821526043 FUYLUENCZUTGHN-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826009053 LKQHLKJQDHLFEV-MNOVXSKESA-N 431.946 0.682 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(=O)oc1)CC2 1826080773 XQCVEBYUIAHPGU-LBPRGKRZSA-N 433.490 0.695 50 20 ICGD O=C(c1ccc(O)nn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050816 ZRFJGRVCYIQHQW-IBGZPJMESA-N 438.293 0.409 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1830180416 VSXAHLLYPSGUIL-UNMCSNQZSA-N 441.381 0.942 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830738081 LLRIPMXKVXJTMS-JXFKEZNVSA-N 426.897 0.673 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cn1 1833806505 CFTXXCRPERCVSL-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD Cc1cscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936968 MKSHRPQAFADWSO-NRFANRHFSA-N 444.318 0.120 50 20 ICGD O=C(c1cccc2ncsc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837067991 NBGDPMPFYZEJSC-BEFAXECRSA-N 439.921 0.966 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1837921016 RRUWVSJPCVKIIY-UHFFFAOYSA-N 443.136 0.782 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1838042480 YLBZUFCWKZCNJZ-GOSISDBHSA-N 443.342 0.838 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838358014 PWEGVVFOIMULJQ-HOTGVXAUSA-N 449.932 0.303 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839107174 FIRJUXQMJLMJLG-PXNSSMCTSA-N 442.988 0.240 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152418 YRMDQMBOBFSFRM-MSOLQXFVSA-N 438.352 0.451 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839155054 HICSPCGKRAGAMR-DLBZAZTESA-N 434.324 0.361 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc4cnccc34)C2)C1 1840154462 XHCNQSTYAYSNMO-NQIIRXRSSA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840348415 OUBYZNFIOGMPPG-PXNSSMCTSA-N 442.944 0.600 50 20 ICGD O=C(CCCc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840510085 KIMOVNHXHSCPQY-FXAWDEMLSA-N 425.913 0.460 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 10401305 PMRGTJXTYSOYIJ-UHFFFAOYSA-N 435.414 0.925 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC 15793246 FYIYSODGRBZQNK-UHFFFAOYSA-N 428.357 0.669 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCN1CCN(c2ccccc2)CC1 725873476 NEIVTBUJLYBISD-UHFFFAOYSA-N 430.534 0.631 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 726884008 RIJKGCZXVLCGAZ-UHFFFAOYSA-N 433.428 0.391 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 729499304 OMKTUTRPJNOJKZ-UHFFFAOYSA-N 429.477 0.497 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731630600 JDDMRKJKCQGQTC-BRWVUGGUSA-N 432.502 0.429 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474664 SMBSILIJCNUNFX-MRXNPFEDSA-N 442.538 0.447 50 20 ICGD CCn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 733909187 BZOHSBLHAJKZCK-UHFFFAOYSA-N 435.506 0.318 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)N[C@H]1CCN(CCN2CCOCC2)C1 734686048 JUUDXSHACVVOSO-LBPRGKRZSA-N 446.371 0.861 50 20 ICGD CN(CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ncnc2[nH]cnc12 734822523 YTJSPQAPPQKTLO-UHFFFAOYSA-N 447.500 0.519 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 737768706 ZGRAZWXBVYFKLQ-LLVKDONJSA-N 429.408 0.308 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 740812486 LDQZTHGTYOKCHH-UHFFFAOYSA-N 425.916 0.358 50 20 ICGD C[C@H]1CC[C@H](CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 743284658 FQBGMJMTZBFUQK-GOEBONIOSA-N 425.507 0.816 50 20 ICGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 743419045 KGTHIUWIABMBHQ-AWEZNQCLSA-N 449.581 0.690 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746240625 QMYVKMYDCJDMDZ-UHFFFAOYSA-N 440.503 0.132 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 748853834 ZHIFLPUMMBTSMN-UHFFFAOYSA-N 434.522 0.815 50 20 ICGD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 748973781 RTKCRTGQZOPWCX-UHFFFAOYSA-N 425.850 0.747 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 751212628 VHNCVOUUVUGMEC-LLVKDONJSA-N 442.544 0.540 50 20 ICGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)nn1 757670356 FWZPMHWHSJULPG-ZDUSSCGKSA-N 433.266 0.972 50 20 ICGD COc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758820585 JBENNLUDENVQKA-UHFFFAOYSA-N 441.473 0.814 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1ccccn1 758840794 QMYUUFHRCVMHAJ-UHFFFAOYSA-N 445.379 0.165 50 20 ICGD CCn1cc(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 759605460 KFECEFKCWRCDEN-UHFFFAOYSA-N 432.912 0.704 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 759659862 CJHFOQFVJIFYPK-QGZVFWFLSA-N 432.568 0.502 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762424347 GXAGOSIDPADADO-YDHLFZDLSA-N 432.543 0.832 50 20 ICGD COC(=O)c1cn([C@@H]2CCCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)C2)nn1 762631228 BXNZXMALMYTDRR-CQSZACIVSA-N 446.464 0.180 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1 763660565 BRWRJCHUCQXIDA-UHFFFAOYSA-N 449.485 0.447 50 20 ICGD CCCn1cc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 763796883 KINCBUQZVWSAAX-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 763872093 KBYIMUBZUDQAFH-NSHDSACASA-N 432.408 0.747 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 763878599 RRLBEBUDHQYDOB-AWEZNQCLSA-N 426.433 0.861 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(O)c1 764108550 ABZNLSYFNDGAPS-UHFFFAOYSA-N 434.474 0.659 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cccc1S(=O)(=O)NC1CC1 764181328 BCIIKFFFTANEPB-UHFFFAOYSA-N 441.469 0.707 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cccc(C)c3)CC2)cc1 765729466 SMQXYGGKCUZYPE-UHFFFAOYSA-N 444.557 1.000 50 20 ICGD COc1cc(OC)cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 767737943 VETMGOHXRHMGQC-UHFFFAOYSA-N 442.519 0.929 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OCC(N)=O 769694916 RTJUZUYXLMCTIB-UHFFFAOYSA-N 444.444 0.584 50 20 ICGD CSCCNC(=S)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 770240120 MVWMDKRAJUYNPQ-CQSZACIVSA-N 436.563 0.395 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H]1CCN(Cc2ccccc2)C1 779767298 FIJQNCPAYBELAM-INIZCTEOSA-N 430.534 0.585 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)c1 780876303 CKAWBVYYEMEVTH-UHFFFAOYSA-N 425.243 0.555 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)cc1Cl 783432673 BPRCGUHRVPFKAU-UHFFFAOYSA-N 445.823 0.949 50 20 ICGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 783958861 YGMAHCFJLHMPDQ-UHFFFAOYSA-N 426.477 0.287 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004646 IMCRJQRRUWSJHP-UHFFFAOYSA-N 433.446 0.231 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 807566350 VKUNWJPJYUZXBA-HTQZYQBOSA-N 434.486 0.772 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCn1cc(Br)cn1 807613435 GHFBTVZHMQYBGB-UHFFFAOYSA-N 429.300 0.858 50 20 ICGD C#CC[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 809722934 NGBHVZXONALYLU-OAQYLSRUSA-N 429.477 0.752 50 20 ICGD COc1cc(C)nc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 810464947 CCFWLWFNQDEFLV-UHFFFAOYSA-N 430.284 0.978 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 812690265 YCNWRLGBGRLWEM-UHFFFAOYSA-N 435.440 0.211 50 20 ICGD CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877662 UPGMSAKSPMROLY-WBVHZDCISA-N 438.488 0.889 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 817054242 ZZGZLPRTKOOPLI-UHFFFAOYSA-N 448.473 0.637 50 20 ICGD Cc1nc2c(cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)c(C)nn2C 914594589 WNJFECZFQCSMIT-QGZVFWFLSA-N 439.428 0.729 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@H]1CCS(=O)(=O)C1 914838625 OFIYTDWTUUAIEB-AWEZNQCLSA-N 432.568 0.306 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)C(=O)C1=O 916094321 JZRACJDEIWGDMX-UHFFFAOYSA-N 445.303 0.991 50 20 ICGD Cn1c(CC(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)nc2ccccc21 916144607 IQXZJGDKISUPPU-UHFFFAOYSA-N 432.440 0.535 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 1317732611 XHOXJMBXLUBWJK-GFCCVEGCSA-N 429.445 0.399 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cncn2-c2ccccc2)C1=O 1340109187 IOPCMQUPMSTNEE-RBZFPXEDSA-N 425.449 0.537 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ccc2c(n1)OCCO2 1777951844 FGSGSILFFNWGTQ-YYFZDKIDSA-N 439.896 0.580 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778712798 AWDJGNDQYSXTNG-JLTOFOAXSA-N 435.864 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4[nH]3)CCO2)C1 1779030686 UETOHCCIOGQRFZ-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032870 ZEKVCLUAMVAIPP-NRFANRHFSA-N 442.451 0.285 50 20 ICGD Cc1[nH]ccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373137 FLBMRLPNKJIIJF-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374118 AXGGQLGWZSNCPB-RZQQEMMASA-N 437.928 0.830 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779422524 QQUZGHDOSZMTOV-CZUORRHYSA-N 432.702 0.887 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545906 QJRUMUBUTVWRHW-UIAACRFSSA-N 444.601 0.968 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782209071 JSKBCEIWZSTCME-DYESRHJHSA-N 434.541 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1783934170 BGSRFEHOMKFRKN-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 1783941862 VCYDBMLBAYSHRE-DRACIFKTSA-N 427.505 0.325 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1786404645 JTIPPHNPQUVBPK-KKUMJFAQSA-N 434.400 0.800 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1786405909 JNPWQHVCYNNVJY-YDHLFZDLSA-N 442.310 0.774 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480335 QVMZQHSJNIULNA-NAKRPEOUSA-N 430.259 0.695 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 1787508892 PAEOEYNKESWGKC-ZPSROVLTSA-N 438.488 0.809 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@@H]21 1788610881 ZAKOVORVTXQQKJ-VDGAXYAQSA-N 437.500 0.521 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788613234 YQQSBJZYCKCCPR-AVGNSLFASA-N 435.388 0.235 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789870486 JGRHDBQAWLQLKP-REZKGXPESA-N 437.368 0.910 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784509 RTEWVLJFRADSAQ-MCYUEQNJSA-N 429.315 0.215 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192217 SRIASVNJMJUPNG-IMWRDGPWSA-N 442.321 0.598 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C1CCC2(CC1)OCCO2 1796193006 HOJFIEJBZFZWGJ-ACDBMABISA-N 442.321 0.552 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890992 SXCPVDONYQPORJ-RIHCJFGGSA-N 430.509 0.673 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc(Cl)c2nncn2c1 1797688429 PPTKOMJIZZQNNE-XCCSTKFXSA-N 428.276 0.186 50 20 ICGD O=C(Cc1n[nH]c2cc(Cl)ccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799078880 SWOWAYUPTHMGOR-YYNKCLGXSA-N 441.315 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nn[nH]c1C(F)(F)F 1799441619 BXEXVCKPRROMAQ-JGPRNRPPSA-N 431.419 0.448 50 20 ICGD Cc1cccc(Cl)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799603820 XCZMIKQPLACWHN-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD C[C@@H](Sc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012075 APAKRCIBDZCUCU-IHSNIMORSA-N 449.577 0.525 50 20 ICGD CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1802197970 ZLDSAKSDRXLNKJ-XJFOESAGSA-N 449.907 0.135 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523341 UALYIRUBOAXGEQ-JKSUJKDBSA-N 432.901 0.312 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363298 ZFLLEDWYSCBMCA-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810891481 WGIUQULVSHCVAQ-UHFFFAOYSA-N 434.497 0.106 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068572 NQLGAEUUADRTHA-WFXMLNOXSA-N 446.552 0.375 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360083 LRBVCFOCFKNAHQ-SHQCLWGWSA-N 442.306 0.089 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817287800 LOTSPARIKOUIFS-OAHLLOKOSA-N 438.253 0.588 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477189 ORSXDVFMVVYMGV-SJORKVTESA-N 439.281 0.016 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc[n+]([O-])cc1 1820030656 UNOWSXXYWFQAFU-SFHVURJKSA-N 435.249 0.343 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822188145 CBJMEAOUBQONRL-GXTWGEPZSA-N 446.346 0.472 50 20 ICGD COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n(C)n1 1822410540 LSYMJMBRQMJPHP-AWEZNQCLSA-N 446.512 0.831 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCOC3)sc2C1 1827169490 DIUVMDIBFOLBMZ-WDEREUQCSA-N 430.490 0.404 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538597 KOPUFQMOPYJDJP-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738773 SJIOGVQNXVMNOS-YZVOILCLSA-N 443.953 0.618 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)c(C)n3)CCO2)C1 1833466150 FANBXIVUEVRGIU-AUUYWEPGSA-N 429.876 0.853 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833959047 JVBPZZLZKPZTDU-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD O=C(c1cc(=O)cco1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834605966 DSVCAPFHMOPHBK-XJKSGUPXSA-N 433.230 0.400 50 20 ICGD C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799187 PUJRHZPWUNULSU-QGZVFWFLSA-N 427.354 0.764 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nccs3)CC2)CC1)c1cccc(B(O)O)c1 1834800978 FPYYMAOKCPBYFQ-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836837426 RYIRVYZLJXFNEM-RXVVDRJESA-N 448.907 0.608 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837854064 GQWDRXDBDXQBMY-HRAATJIYSA-N 439.601 0.731 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838480685 YRRZFSSHYDXXNO-KRWDZBQOSA-N 432.260 0.684 50 20 ICGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1839806696 BSKWKOQTZLUZCK-IFXJQAMLSA-N 429.901 0.208 50 20 ICGD CC(C)OCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841128821 KOCASOIPIDCQOP-UHFFFAOYSA-N 431.537 0.961 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1841925272 HBKRCISTGRUXFE-KBPBESRZSA-N 442.944 0.848 50 20 ICGD O=C(C1=NO[C@@H](c2ccccc2)C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011354 URMDMBJUMYTGLL-HXUWFJFHSA-N 433.273 0.701 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1844264181 PWZGAZFLQXRPCY-UHFFFAOYSA-N 449.471 0.185 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560495 ZSTXIJIQUHEFQH-AJNGGQMLSA-N 429.901 0.366 50 20 ICGD COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2C)cc1 9889988 RHPHULLHUDSIBO-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 12267577 PDANUKFWBPJFQZ-UHFFFAOYSA-N 433.442 0.172 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 14057537 MDDYKXPGWXAYQR-OAHLLOKOSA-N 434.449 0.963 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 14323413 NLKNBUGHTDBJRX-UHFFFAOYSA-N 443.504 0.636 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2sc(S(N)(=O)=O)cc2C)c2ccccc2c1=O 60210991 VLBJRJQWZDSRIC-UHFFFAOYSA-N 435.487 0.509 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cn2nc(-c3ccccc3)oc2=O)c2ccccc2c1=O 726083984 PCQSQMGGYPRGSK-UHFFFAOYSA-N 434.412 0.694 50 20 ICGD O=C(NNC(=O)c1c(Cl)cccc1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 727794831 SBUPGLKSQZUFIB-VIFPVBQESA-N 447.300 0.920 50 20 ICGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3Cl)cnc21 728503312 NRAVRIKCLGYZHQ-UHFFFAOYSA-N 444.256 0.964 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2-c2cccnc2)cc1 730420509 IIBFGIMJDLVMFI-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 731839282 SLRVFDNVWYHDKX-IBGZPJMESA-N 448.520 0.325 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)N2CCc3ccccc3C2)c1 732269733 LEQVENNSESHDJV-UHFFFAOYSA-N 430.486 0.619 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 743829107 AGPBUADWELDQMR-UHFFFAOYSA-N 426.476 0.465 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c1 744385941 RNNIAYVLZJFWBU-UHFFFAOYSA-N 434.500 0.253 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)c1 746812304 ASZQPAIZPFKHCT-UHFFFAOYSA-N 445.563 0.693 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1Cc2ccccc2O1 748360145 HTHOWMVHQRPFME-INIZCTEOSA-N 434.430 0.414 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 749938491 PIYMCQMNTRBZPM-UHFFFAOYSA-N 425.850 0.866 50 20 ICGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)c2cc(F)ccc2Br)C1 753668191 FUSXYOWBILCUAM-SECBINFHSA-N 437.291 0.814 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1 754375502 MHVXRCWDVIXLKC-HNNXBMFYSA-N 427.571 0.922 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 756682181 NMKVEWGALGBQNI-LLVKDONJSA-N 430.483 0.340 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 756915003 XUCRSPJMNCOUQH-GOSISDBHSA-N 448.487 0.840 50 20 ICGD CN1CCC(CNC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 760466706 SLBDOAXOANFZPC-UHFFFAOYSA-N 439.607 0.922 50 20 ICGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763548818 SNQXQAYCAOZLDF-UHFFFAOYSA-N 448.457 0.967 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCOC2=O)c1 763573166 XVBKXDWMHXJACP-INIZCTEOSA-N 426.385 0.569 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763683188 WDRYUNGRCZRVAM-UHFFFAOYSA-N 434.399 0.966 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1 763694404 HOIUDDQZVMWEJL-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1C 763784832 IPRIQGKIMSXMKC-UHFFFAOYSA-N 436.515 0.853 50 20 ICGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807772 RLTCEOZYGUNZAN-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)c(C)c1 763813701 LQOUCJAEVBHNGN-UHFFFAOYSA-N 447.517 0.253 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)Nc1cccn(C)c1=O 763884014 SVGXCQPLFFYYKM-JTQLQIEISA-N 437.250 0.701 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)cc1 764114871 GLXSILROSRKELQ-FSJBWODESA-N 449.411 0.538 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 764339137 MIJZQZLFPCKVRR-UHFFFAOYSA-N 438.531 0.934 50 20 ICGD CN(C)c1nc(O)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 765186365 SADXBQPFPMZHIH-UHFFFAOYSA-N 434.478 0.108 50 20 ICGD CCCc1nnc(S)n1CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766650575 WNPRPLRCZPVYQJ-UHFFFAOYSA-N 445.593 0.793 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 767119071 GRRDQPNOTIGWFF-UHFFFAOYSA-N 434.428 0.618 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2nccn3c(Br)cnc23)c1 769882333 GSQKMWBSXTUJGA-UHFFFAOYSA-N 443.217 0.981 50 20 ICGD Cc1cn2c(=O)c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cnc2s1 772558707 UYUSCXIBVXVXPJ-UHFFFAOYSA-N 435.487 0.390 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1 773724399 PLBRQBUKGVORSO-UHFFFAOYSA-N 440.457 0.783 50 20 ICGD CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)ccc21 782966455 MWXFTMNFUUYJJP-UHFFFAOYSA-N 445.476 0.739 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 784004729 RAPCPBRYEWNPNU-UHFFFAOYSA-N 447.354 0.945 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C)n1CC(C)C 788001129 UVVYFTBINXYJAS-OZJQZKJWSA-N 448.589 0.970 50 20 ICGD CCC(O)(CC)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 788324454 RRJYGLLEHVJSNG-UHFFFAOYSA-N 428.559 0.585 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3nccnc3cc2F)CC1 792639830 XZVGHVDTPVLGFH-UHFFFAOYSA-N 445.480 0.857 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 792818781 RZRLFPVOBOHABQ-INIZCTEOSA-N 427.438 0.824 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1C 796999441 LOAXPGIOVUJKHU-UHFFFAOYSA-N 447.448 0.560 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1cc([N+](=O)[O-])ccc1Br 800620746 AZZQZJSFTCFYBS-QMMMGPOBSA-N 447.271 0.901 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 808344533 XFLLPQINOADTQK-UHFFFAOYSA-N 435.458 0.180 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 810390461 UATZCIXLFMCPGE-LBPRGKRZSA-N 445.329 0.532 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(F)c(I)c(F)c1 815780172 MCEATAOUDREDRW-SECBINFHSA-N 439.156 0.834 50 20 ICGD CC(C)CN1CCO[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)C1 915922300 IVSYGNPIAMJHRC-HNNXBMFYSA-N 428.559 0.751 50 20 ICGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 916260391 YZWXLTOABKLFHO-UHFFFAOYSA-N 425.511 0.386 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)=NN1c1ccc(F)cc1 935304877 VJRFPSLBWKBWLP-HNNXBMFYSA-N 427.392 0.478 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cocn1)C2 1778091003 CEXJRDRVZQHWJF-ZNUZEINGSA-N 442.476 0.936 50 20 ICGD O=C(c1ccnc2c1OCO2)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780028070 KRTWLIANLNQKGD-BLLLJJGKSA-N 430.230 0.944 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)cccc3F)C2)C1 1780494132 URPXJBUQUOUHFS-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330569 BYJWWPNUVLJEFH-MLGOLLRUSA-N 426.246 0.863 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782547974 IEKYGHCLXYUPAL-NJNPRVFISA-N 448.568 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1783934123 ZEXLKBDEEGCQLZ-NRFANRHFSA-N 438.475 0.710 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)OCO3)CCO2 1783935470 UGDYTBWPQGYEPA-OAQYLSRUSA-N 432.477 0.232 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CBr)[C@H]3C2)CC1 1783973665 CFXUYLBIGXMMNP-XUXIUFHCSA-N 431.327 0.950 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@@H]21)c1ccc(B(O)O)cc1 1786983878 UVSYPSDBKBHDJB-JDIKAJTASA-N 440.349 0.786 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609987 JWMDMPONDYCTER-USJZOSNVSA-N 446.508 0.079 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1791059186 QTFZVLTUJVKAQE-DSPQJCBJSA-N 426.311 0.762 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1792867698 JSVXLQROHDQMKP-ZJOBFFGXSA-N 426.311 0.469 50 20 ICGD COC(=O)c1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)cc1 1796370828 MUOBVERSIKOTDP-DLTLXFJOSA-N 428.844 0.976 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C)C2 1796441282 UAZHGZLMMIIMGL-QQGSHNGGSA-N 444.517 0.789 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1cccnn1)C2 1796893056 KXTDADALXMVZSL-BDHJUDLHSA-N 439.476 0.628 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1800982696 JPENCWOVYWKGTM-JFMONLCZSA-N 437.924 0.648 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)c2ccco2)[C@@H]1c1cccnc1 1802529849 NVOBRHYWDSLSTJ-CZAAIQMYSA-N 443.504 0.787 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1803140048 AQEJAMZUESQVQS-OWYHZJEWSA-N 437.972 0.323 50 20 ICGD Cc1ncoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805854430 RHOKDHRAMLAZTN-HKUYNNGSSA-N 434.261 0.691 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972163 COUMDGPTVCXPFL-GOSISDBHSA-N 438.337 0.744 50 20 ICGD CCN1CCC(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809972190 DICVILORAADLSL-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CCC=CO1 1810259293 WNVHYHLCPRBRKI-SESVDKBCSA-N 435.289 0.774 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)C(=O)Nc1cccnc1 1810459565 RLTHJHCEPYILPS-BHYGNILZSA-N 431.880 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1813073694 KQCZWPPXZCFWEP-UWJYYQICSA-N 431.537 0.766 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cccn1 1813428618 VJDCPGUUMFRCMW-HGHGUNKESA-N 441.536 0.918 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C(=O)O 1814094530 FUYWXNKPHLTAKZ-LICUMROXSA-N 437.261 0.112 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475390 POURIADYEPDNHD-KRWDZBQOSA-N 441.297 0.168 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cccc(F)n3)sc2C1)c1ccc(B(O)O)cc1 1820439240 BCTZWLTZFIVTJU-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823786962 BKSBJZZRJUDYSZ-LEWJYISDSA-N 443.353 0.514 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185869 HUMADTQBUQVJDT-SJORKVTESA-N 437.928 0.518 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2)C(=O)C(=O)O 1824669364 APTQNUGHURRHQS-QMMMGPOBSA-N 447.311 0.383 50 20 ICGD Cn1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)cn1 1825931344 SATBFDPSZMSRCH-LJQANCHMSA-N 439.520 0.966 50 20 ICGD Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)cnn1C 1826080480 MZDDBZWIJICPDD-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1826947257 RNBMBHWNWZHAAB-IAGOWNOFSA-N 439.557 0.042 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055049 SMORPDOYNFNAKX-GOSISDBHSA-N 425.298 0.340 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3)sc2C1)c1ccc(B(O)O)cc1 1827284387 JXTLNGLOIPQBBE-HIFRSBDPSA-N 431.348 0.944 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831574 MYANVPRICQVTMA-RVSPLBMKSA-N 431.283 0.553 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830358496 OEMXKSYBAHADNV-SFHVURJKSA-N 443.888 0.513 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831871278 QUPICRRGNZPUJI-WMZOPIPTSA-N 437.585 0.894 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1831876914 MFTHUHVULYUVDK-WBVHZDCISA-N 434.545 0.227 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)n(C)n1 1833448234 YXRREKWJQZZRFR-QZTJIDSGSA-N 449.335 0.735 50 20 ICGD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1835531926 LZXYGEQVFQHZFJ-DHJRUUKHSA-N 448.470 0.923 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836413653 JRDVOQFGKFFNPG-HOCLYGCPSA-N 447.349 0.869 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837646800 CFAOLLRQOZWWCR-JLSDUUJJSA-N 448.351 0.607 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(OC)c3)CCO2)C1 1838975733 OJWKVOFGSGCBKJ-MGPUTAFESA-N 442.896 0.725 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839153136 BUNSQRXZTZGFCA-BVGQSLNGSA-N 436.336 0.370 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031178 HXSRHBBZQZVRDU-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1840182851 KDDGKEGPRPLFKN-DNVCBOLYSA-N 446.495 0.251 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1840185113 FZSDMTRKNHVTLT-IBGZPJMESA-N 442.900 0.376 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484707 FTERMAHZVTVOMR-UGSOOPFHSA-N 442.310 0.448 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC=CCC1 1840554475 YKVFAKYJXJCEFJ-DHIUTWEWSA-N 442.321 0.183 50 20 ICGD COc1cccnc1CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842013278 UAGKHQRKYRBXFJ-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843015219 UPOJMUDHAKBNDO-NVXWUHKLSA-N 428.294 0.163 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2C[C@H]3C[C@H]3C2)C1 1844189168 MXLLXKNKJDAFML-FXRDBBOVSA-N 426.521 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1noc3ccccc13)C2 1844263985 RNCVTSBPBQGWSF-UHFFFAOYSA-N 434.456 0.886 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c2n1 1844264136 JEBGEYGQZRNBHJ-UHFFFAOYSA-N 448.487 0.475 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2)NC(=O)NCc1ccccc1 1845038779 SAMAVOVMNRAXDU-UHFFFAOYSA-N 447.565 0.163 50 20 ICGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845219965 RSKVMSZEAPWBIE-AWEZNQCLSA-N 425.295 0.950 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc(Cl)c1OCC(N)=O 11367083 WTINALGOXMARST-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD NC(=O)NCCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 725899308 ZHABZKQAYXSMPR-UHFFFAOYSA-N 425.511 0.461 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1c(Cl)cccc1Cl)c(=O)n2C 727794475 JSMPCWATBFZXAU-UHFFFAOYSA-N 425.232 0.202 50 20 ICGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728844775 CTVRIRXRINJWKD-UHFFFAOYSA-N 429.481 0.095 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 731435483 FENHKVUKVHVTFB-QGZVFWFLSA-N 432.458 0.781 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)c1cnccn1 733249479 LYLJLTIDGLYRQB-UHFFFAOYSA-N 439.519 0.583 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)COCc2ccccc2)c1 737923504 PAMAYSOYEYHNTK-UHFFFAOYSA-N 435.502 0.898 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 741144179 ITNUAJAFGQXTRH-UHFFFAOYSA-N 432.462 0.404 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CN(C)CCO3)c2)cc1 742239461 AAVBNDQLJZWYII-GOSISDBHSA-N 448.501 0.588 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 756108153 KOHGQUSBBOIKGD-SNVBAGLBSA-N 433.918 0.816 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834743 JGWNWRMHTUFRKI-ZDUSSCGKSA-N 434.428 0.501 50 20 ICGD CCc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccc(OC(C)C)cc1 758043231 GIQCEKJZCRMCSL-GFCCVEGCSA-N 438.510 0.316 50 20 ICGD O=C(NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)C(=O)Nc1ccccn1 758838219 FXJVIMXEHKUCEX-QGZVFWFLSA-N 432.440 0.604 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3nccc(N4CCOCC4)n3)C2=O)cc1 762851206 BZCVYLSJFPGRAO-NRFANRHFSA-N 439.476 0.532 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)o1 763550745 GGZDWOYQPVYABY-UHFFFAOYSA-N 438.400 0.931 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1N1CCOC1=O 763569727 APQQVVODAXXFRS-INIZCTEOSA-N 426.385 0.569 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccn(CCc2ccncc2)n1 763572567 RYGQGNFUSXKUFH-QGZVFWFLSA-N 436.428 0.447 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 763754852 WEKOLTXLLOKSGL-UHFFFAOYSA-N 433.490 0.369 50 20 ICGD CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1F 763920071 YVXLYSYQEQLCOO-UHFFFAOYSA-N 429.376 0.836 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 764002692 QKDJLONDWKORLS-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 764135464 GZQKNJLOFRFKPJ-UHFFFAOYSA-N 441.412 0.706 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)sc2c1CCSC2 764293464 PGYYIVARZZWXAX-UHFFFAOYSA-N 437.503 0.766 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccccc1S(C)(=O)=O 764398175 PIPSJWKKSUVPKP-UHFFFAOYSA-N 437.499 0.977 50 20 ICGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766659906 ILTAIXHHSLILIT-SFHVURJKSA-N 435.956 0.864 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 767268289 IDMYBRCCYPTNSC-IVZQSRNASA-N 444.488 0.729 50 20 ICGD COc1ccc(NC(=S)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cn1 768478183 IKWDEBJHRJVZBD-UHFFFAOYSA-N 432.487 0.917 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H]1c1cccnc1 772883493 BASUWMRJZUJHCD-RDJZCZTQSA-N 429.864 0.718 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nc(C(F)(F)F)n[nH]1 776252221 BJFKNMWFHRXWFM-UHFFFAOYSA-N 440.430 0.866 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc2c(s1)SCC(=O)N2 778545756 XABNSBZQUXLHRN-UHFFFAOYSA-N 447.502 0.080 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@H](O)C1)NNC(=O)c1ccc(-n2cnnn2)cc1 781782958 WQKAIBDCJIIKGW-IBGZPJMESA-N 436.476 0.373 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1OCC1CCOCC1 784002444 GDMJEKGZXYVMQS-UHFFFAOYSA-N 432.477 0.509 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNc2cccc(S(C)(=O)=O)c2)c2ccccc2O1 784844049 FJLZISUCMZIJDK-INIZCTEOSA-N 433.442 0.500 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)n1 785227919 ZSRIAJSGLWNNDO-OAHLLOKOSA-N 427.465 0.306 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1OC 786053125 BENHNTKAGQLXMU-AWEZNQCLSA-N 448.863 0.792 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)NCC(F)(F)F 798313330 DPGFDHWHFHTOLI-UHFFFAOYSA-N 438.306 0.756 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 800983693 RTMMTOKVWZBVRQ-GOSISDBHSA-N 448.487 0.840 50 20 ICGD O=C(Nc1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccn1)C1CC1 803038189 OLSBFWCDOPOYPZ-UHFFFAOYSA-N 431.312 0.870 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)N3CCN(C)CC3)n(C)c2)C1 807382622 HWUQDQRAEONRTL-AWEZNQCLSA-N 426.543 0.048 50 20 ICGD O=C(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 808764871 BMRHVGVOJJHTKO-ZDUSSCGKSA-N 439.494 0.150 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C(=O)N2CCN(c3ccccc3)CC2)n1 812689365 BVFKWZGLTMUSCA-UHFFFAOYSA-N 445.501 0.033 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033095 FCDTVXJQAZPTPM-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(F)c2F)c1 815565025 AMXFRZNPWPFIRD-UHFFFAOYSA-N 444.391 0.754 50 20 ICGD N#Cc1ccsc1NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 815566043 HKUZHYHTYQJDBS-UHFFFAOYSA-N 447.498 0.804 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)n[nH]2)C1 816880733 QTYNVWDPVXXRDB-STQMWFEESA-N 444.496 0.749 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC2COCCOC2)cc1 816921198 PCTFQHRVMGGJDY-MHWRWJLKSA-N 439.472 0.873 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1S(N)(=O)=O 915596250 ZICDAFBXXBJRMY-UHFFFAOYSA-N 449.258 0.576 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCNC(=O)c2cccnc2)c2ccccc2c1=O 916443844 VULYLVFRPSKKCH-UHFFFAOYSA-N 437.460 0.746 50 20 ICGD CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 916644926 CWXOWXGOTYQASO-UHFFFAOYSA-N 432.506 0.874 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 917737417 JMABCXLWMWUABT-UHFFFAOYSA-N 437.499 0.606 50 20 ICGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 918689052 KTISEJCLGFDTEM-KRWDZBQOSA-N 438.550 0.944 50 20 ICGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884034 DICXYMIRDZPGAF-ZFWWWQNUSA-N 438.506 0.207 50 20 ICGD CN1CCN(C(=O)CCNC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1322974999 JYZUGLAMECRARY-UHFFFAOYSA-N 440.545 0.128 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c2ccccc2c1=O 1340987524 LICUSERSWQCZMC-ZDUSSCGKSA-N 446.489 0.588 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332461 ZFTGTWMMXQPKOS-DETPVDSQSA-N 430.278 0.797 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)N1CCN(C)CC1 1781334123 MITKKERCMGISJG-VBQJREDUSA-N 435.338 0.143 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1782170992 MIADNTUUGXQEAJ-STXHMFSFSA-N 438.912 0.562 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783753415 WKEUTBZHJBWGID-JOCHJYFZSA-N 442.520 0.239 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1N 1783934074 WQWFUJJFEJMRGM-OAQYLSRUSA-N 435.500 0.533 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086726 ZKNUZGHNRNPIJH-QMHWVQJVSA-N 445.944 0.575 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092768 VUGKXMBUEATTQY-HNKHHVNMSA-N 438.887 0.975 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786726302 YEHGEQHBRVEKSC-VGWMRTNUSA-N 432.359 0.472 50 20 ICGD CC(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980924 FJVBEFZIJLOACV-QRFRQXIXSA-N 440.309 0.051 50 20 ICGD CC1=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c4ccc[nH]4)[C@H]3C2)CCO1 1787509190 YSJDZXYPOQOFIL-MQLVQPQLSA-N 443.504 0.794 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1789864523 VEDBGVDFUGVVBG-RVMXOQNASA-N 433.983 0.844 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791063400 HFRSBPVWSIQQBL-SMXCXOSKSA-N 435.315 0.365 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791654705 YSPGDTCMMBMCAQ-NEPXVJNWSA-N 447.536 0.202 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C1CC1 1792975578 VWRBUBVWVAVCGV-YXPYIKCWSA-N 445.944 0.575 50 20 ICGD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188697 JZDYFCZADPGVAB-UDZIGDOBSA-N 445.284 0.654 50 20 ICGD O=C(/C=C1\C(=O)Nc2ccccc21)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191575 ZQJSOAMKGJMJRQ-UDZIGDOBSA-N 445.284 0.654 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(-c2ccc(O)nn2)cc1 1799837945 CZPOCIBQCHONFS-HIRMHNASSA-N 446.891 0.652 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)Br)C4)(C1)C2 1800705217 LZHURYQMHVTURT-AAFUSDTOSA-N 429.311 0.703 50 20 ICGD Cc1cc(F)cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801082220 MXYADTBMSUPYTL-OPMZPASUSA-N 440.280 0.260 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802682423 LVBOAMDPQYKDBU-ZOBUZTSGSA-N 425.917 0.612 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cn1 1805650514 CQGMIDVHGXBUIX-PXNSSMCTSA-N 433.277 0.128 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365385 ORHOILAZSRKMKB-QUCCMNQESA-N 437.305 0.696 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)nn1 1809970923 DSLIXAQUHCKYOD-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1810540298 IQDYHPFCBJPJPQ-APWZRJJASA-N 432.601 0.779 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813033898 WNAXMHVKVWNSAM-TXPKVOOTSA-N 439.944 0.714 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071693 UCTMWUCUCUIVTE-OQRYQMPQSA-N 432.569 0.834 50 20 ICGD Cc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1F 1813071718 WGEHBUMHORKGIJ-MGPUTAFESA-N 445.499 0.945 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1816781031 CETKGBUUPLERRN-NSHDSACASA-N 441.286 0.739 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817474293 CXHTXQLYXGRHMD-BLGFXRMMSA-N 434.265 0.832 50 20 ICGD COC(=O)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822416995 VKJZZPRQPDMWQJ-AWEZNQCLSA-N 434.497 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=O)N(C)C)CC1 1823882597 QUDNFHFEEFPXDY-KRWDZBQOSA-N 438.573 0.250 50 20 ICGD O=C(Cc1cnccn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049197 PPGCBEUFCBCMFI-NRFANRHFSA-N 436.321 0.632 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1830537382 GCKPDQHCVMDJNY-KBXCAEBGSA-N 434.375 0.862 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831874993 PRFLKKNDEGFBLR-FUHWJXTLSA-N 433.557 0.832 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)ncn1 1833496724 QZHZOYONXDDVRB-INIZCTEOSA-N 433.248 0.049 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826395 OHTDKTIUOVBHTE-GOSISDBHSA-N 442.310 0.449 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838216865 NAQJSMKYGYPQAM-CJNGLKHVSA-N 431.262 0.546 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150925 CHBMIHGDCYLCPM-QZTJIDSGSA-N 447.319 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839296772 VICWGJUKXWVGLM-KXBFYZLASA-N 430.860 0.855 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840154013 IADGVEMXQJVTIC-AUUYWEPGSA-N 443.932 0.357 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354803 XMUWPINAFHSXLM-DLBZAZTESA-N 425.888 0.676 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014713 STEWPYSJZNRCAS-UHFFFAOYSA-N 441.224 0.853 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2)NC(=O)NCc1ccccc1 1845038446 CMAXNOFALUROED-UHFFFAOYSA-N 425.493 0.573 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(Cc3ccccc3)nn2)cc1OC 105572521 MHIRXURRTLZXPF-UHFFFAOYSA-N 439.428 0.962 50 20 ICGD CCCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728331288 IDXKULGTEGNQGM-RHSMWYFYSA-N 433.461 0.698 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 730102625 IHPBPMACJWPFPN-CYBMUJFWSA-N 441.897 0.524 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N3CCOCC3)c(F)c2)n1 730374084 DFASVVAQMKRONJ-UHFFFAOYSA-N 436.465 0.974 50 20 ICGD O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1cnn[nH]1 730546551 DZOSUHODNKIGEX-SNVBAGLBSA-N 426.220 0.778 50 20 ICGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cnc12 734240508 PAZMFINFRDLPRX-UHFFFAOYSA-N 432.481 0.950 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(N3CCOCC3)cc2)ccc1Cl 746519511 HVMRPTDDMJFOOW-UHFFFAOYSA-N 438.893 0.899 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747719562 SZHWPUHMEQYVNZ-UHFFFAOYSA-N 425.445 0.397 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)n1C[C@@H]1CCCO1 748368933 BUNMRVVFUQVDAN-ACSPXDACSA-N 449.577 0.624 50 20 ICGD CCOc1ccc(C(=O)N2CCC(NC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748444131 HTZOGDNOACTIRJ-UHFFFAOYSA-N 431.493 0.643 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1=O 752014432 TZKSZIIPVWYHPU-VLIAUNLRSA-N 425.449 0.537 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)NNC(=O)Cn3nc(C)cc3C)cc2)CC1 756391872 DRABXCWBCQVCMV-UHFFFAOYSA-N 443.508 0.648 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cccc(C#N)c3)cn2)C[C@H](C)O1 756840247 UXBGGCNPSUJNSI-KBPBESRZSA-N 425.449 0.857 50 20 ICGD CCN(CC(=O)NC)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 756992768 UWFJJCJUZPNIGH-LFIBNONCSA-N 438.488 0.936 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 758025047 IZNILGZPIOXGOS-TZMCWYRMSA-N 428.511 0.728 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(F)c1 758044654 MJCVTUTXYXDKHH-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD Cn1ncc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1Br 760342755 ZAXOGHXQSREOLN-UHFFFAOYSA-N 444.311 0.960 50 20 ICGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)Cc3ccccn3)ccc21 761156265 OLODLMQBDUWMJK-UHFFFAOYSA-N 439.476 0.742 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1OC 763550762 RIFKYGVHLVODSU-JTQLQIEISA-N 428.401 0.823 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 763569775 BOGBDZQFCFICPH-QAPCUYQASA-N 427.413 0.780 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2F)cc1 763737238 PZLLTGJRSYICHZ-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814992 YXOTXPUAMGXRCG-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 764040311 FBIFTVXYKGUIPT-UHFFFAOYSA-N 440.456 0.876 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 764228212 VXEJLMOSTCJGKN-GFCCVEGCSA-N 434.499 0.172 50 20 ICGD CN(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C(=O)c1ccc(Br)o1 764344324 XTSIGFPDKWXJCA-UHFFFAOYSA-N 438.238 0.087 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccccc2C#N)cc1 764375646 ZJMWONZQYNRVEM-UHFFFAOYSA-N 431.474 0.766 50 20 ICGD O=C(NNC(=O)C(F)(F)Oc1ccccc1)C(=O)Nc1cccnc1N1CCOCC1 764379819 LLNBZMSSPFXFNW-UHFFFAOYSA-N 435.387 0.676 50 20 ICGD CC(C)(C)OC(=O)N1CCC(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 765665237 GLQLAIWJNXUMAK-CQSZACIVSA-N 432.543 0.931 50 20 ICGD COc1cc(C#N)ccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 766355479 XEJBNINIIFGPJF-UHFFFAOYSA-N 444.878 0.491 50 20 ICGD CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 767204361 KUPZFOVPAKVHKM-HZPDHXFCSA-N 425.507 0.910 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 767268292 IDMYBRCCYPTNSC-QRQCRPRQSA-N 444.488 0.729 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 768243911 NTYPJINXBLBGNN-HNNXBMFYSA-N 435.481 0.375 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1nnc(O)c3ccccc13)C2=O 768571054 LOSYWGZSYLTHBO-NRFANRHFSA-N 440.460 0.987 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)nc21 770973534 DPQFRRXXIXYTFO-INIZCTEOSA-N 432.444 0.948 50 20 ICGD O=C(NNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 773750167 CTUHFJIAJYYCJV-UHFFFAOYSA-N 440.382 0.843 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc2O1 777940888 OZIAASZCVNQPNT-CQSZACIVSA-N 443.478 0.387 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)nc1C 778424218 MXKBDOBQNWXYOC-UHFFFAOYSA-N 437.478 0.978 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 778676889 UXYOZGRZLVSVQI-AWEZNQCLSA-N 435.481 0.521 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nc2ccccc21 782884533 BLPLLCUMOXIDPZ-UHFFFAOYSA-N 435.444 0.092 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1-n1cnnn1 782892602 CBNLPPNIAMNYDY-UHFFFAOYSA-N 433.432 0.186 50 20 ICGD COc1ccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 783039778 TXCFJRPGSNUOFJ-IBGZPJMESA-N 440.456 0.791 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c(OC)c1 783264460 QMHMHAIVFBGOJW-UHFFFAOYSA-N 437.478 0.867 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@H]2c2ccccc2F)cc1OC 784511468 CWVMSNOFHGNCAK-LJQANCHMSA-N 430.436 0.777 50 20 ICGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 792810235 QFTNKVUWZMKXON-UHFFFAOYSA-N 430.494 0.591 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 794760707 RKNKCRQZOLUAKI-UHFFFAOYSA-N 447.473 0.466 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)n1 799263363 NQMPGNQBPUTYOH-KRWDZBQOSA-N 425.445 0.708 50 20 ICGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)c(OC)cc1Cl 802078589 OVLMPLLTOWXLTF-UHFFFAOYSA-N 435.828 0.654 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(-c2ncc[nH]2)c1 815827319 UVQQLBWGLBFKFR-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ncncc3F)ccc2F)CC1 817077907 OUHWUAXNLSIUQS-UHFFFAOYSA-N 440.432 0.365 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CNc2ccccc2)c1 823327888 MPNPAYFAPFTRKY-UHFFFAOYSA-N 435.506 0.138 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 844265580 ZCTWFTVYSLGKNA-KRWDZBQOSA-N 440.485 0.584 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 913415684 MFSSDOMYYVWDQT-UHFFFAOYSA-N 449.441 0.332 50 20 ICGD CN(CC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 915006766 DWQUTCYKWHRVLX-UHFFFAOYSA-N 439.877 0.965 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CC3(Cl)Cl)nc2)CC1 915907955 KNJJXQKBQNJOLI-NSHDSACASA-N 437.353 0.838 50 20 ICGD O=C(NCc1cccc(O)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918124889 FSHUBETWPYUCFE-UHFFFAOYSA-N 434.474 0.557 50 20 ICGD O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 919890109 ZWVJFVNPEXHWGK-LLVKDONJSA-N 428.467 0.992 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 921166787 QKLWHCZIWOBTQB-HOTGVXAUSA-N 427.523 0.737 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)o1 1779028255 HWEAUBGLTPHIFX-OAQYLSRUSA-N 427.461 0.652 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)COC3CCCCC3)CCO2)C1 1779028481 FRFYLFZVNNUING-QFIPXVFZSA-N 445.520 0.478 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779332406 VOAARYYQBDIUHK-IERDGZPVSA-N 432.525 0.085 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)n1C 1779928128 WWIIZKPXVHSSQN-JOCHJYFZSA-N 425.294 0.079 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)N1CCN(C)CC1 1781102198 NEBOSMJZLYJUIC-GRDNDAEWSA-N 435.338 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1783935532 VAENJIAOVOSSBS-LJQANCHMSA-N 436.538 0.232 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783939513 GQDAFFYYGDLXRR-APPDUMDISA-N 440.324 0.506 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)[C@H]2C1 1790627560 MKJJBFDPVJMRSP-LZMSHLNBSA-N 443.529 0.154 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1792867800 HQDRFAFAWYPFEW-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793106367 FWYFYFWGCAYMLV-AIEDFZFUSA-N 433.933 0.500 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCSC(=N)N)[C@@H]1c1cccnc1 1807127030 MQXXVTVBNCTRJL-BEFAXECRSA-N 449.581 0.477 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1811474129 INATZSWIIQRRJK-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813075021 WWZBOFGURLNHQX-LAUBAEHRSA-N 442.524 0.142 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cscn1)CC2)c1cccc(B(O)O)c1 1815355479 TVQMBGGSESCZQA-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821631609 BZFCQYJHUHAQJF-LVMGUKCRSA-N 439.281 0.435 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3CCC(O)CC3)sc2C1 1826358195 JXRAMODAKGSFRK-ROKHWSDSSA-N 437.566 0.979 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1826720733 ZMEVUZDIAMINIT-RTBURBONSA-N 429.005 0.843 50 20 ICGD Cn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925176 GTFQZUHYOVVEJG-SFHVURJKSA-N 439.520 0.966 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719220 AKOPRYGIQRIRRU-VPWXQRGCSA-N 440.928 0.048 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1831433872 WQCICONZRVLVIY-LIRRHRJNSA-N 444.536 0.443 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312737 ZGFRVUODAVLKIZ-QGZVFWFLSA-N 437.928 0.191 50 20 ICGD O=C(CSc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835087255 JXTAWYNJOFZRRG-APWZRJJASA-N 428.938 0.835 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835184783 PKZIOIHEFYAAKS-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD CC(C)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736763 GZXZQDCNBDZFCX-UHFFFAOYSA-N 430.553 0.916 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797804 DOHFHBLMBWDYPX-MEDUHNTESA-N 447.355 0.969 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835846447 LDYAQDDLQLLOIM-MEBBXXQBSA-N 433.328 0.579 50 20 ICGD CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1836716855 VFVZREGNIBHHQH-LJQANCHMSA-N 445.004 0.222 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1OC 1838840496 SFGANFJTDUOTCX-QAPCUYQASA-N 431.848 0.703 50 20 ICGD O=C(Cc1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839059779 DWTGDYYYNSUSEY-NVXWUHKLSA-N 430.274 0.771 50 20 ICGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)C1 1839067277 LJLFFFKTFMUEHD-GRDNDAEWSA-N 436.322 0.475 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839648106 SNEYPTHWHHNORS-SUHLXZCWSA-N 436.336 0.719 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)o1 1840032265 SXMMDQBYOSIAQG-BDJLRTHQSA-N 431.287 0.160 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184641 ZAWGQSWLVUUEID-AVRDEDQJSA-N 436.553 0.584 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188507 NIXWTGJOMYSFLC-SJKOYZFVSA-N 432.308 0.537 50 20 ICGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188549 PGVCLJPTDPALKB-IBGZPJMESA-N 433.332 0.945 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(C)(C)C 1841498002 UIGBRMNROZKNGW-YSGZUTGPSA-N 444.536 0.875 50 20 ICGD O=C(Cc1c(F)ccc(F)c1F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010363 IILNYTAPDXTYGK-UHFFFAOYSA-N 432.207 0.843 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ccc1O 1844264840 NMTNISJEGAUNKS-UHFFFAOYSA-N 425.445 0.530 50 20 ICGD CN(CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)C1=NS(=O)(=O)c2ccccc21 725908157 BOJZCONQACQHJZ-UHFFFAOYSA-N 438.469 0.919 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 728015007 KIZDZETXEMOUIZ-UHFFFAOYSA-N 443.890 0.861 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 728488973 XBAXVVKGLBYJDL-NSHDSACASA-N 444.416 0.215 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)n1 728732552 OZGWOGHILRKJRL-LLVKDONJSA-N 444.473 0.379 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3cnn[nH]3)ccc2Cl)C[C@@H](C)O1 729455854 CYSWIMUHIFTCOD-NXEZZACHSA-N 442.885 0.331 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474052 FOGMQSJGEJUNDJ-HNNXBMFYSA-N 432.930 0.701 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)c1 741885842 SSHQSKXIWFTWPO-UHFFFAOYSA-N 449.485 0.641 50 20 ICGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(Br)c2)C1 743594923 XTJCCKGLTLMIGW-CYBMUJFWSA-N 426.315 0.981 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743821164 WVONUUQCGVQIOR-MUIFIZLQSA-N 432.502 0.954 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744353460 UYJUIRPLGVWZMC-KTIACHQASA-N 445.472 0.551 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3cccnc3)no2)cc1 746240924 CSLWGHCJIMBFFE-UHFFFAOYSA-N 446.445 0.730 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2cc(Br)c[nH]2)nn1-c1n[nH]c(C(F)(F)F)n1 747350797 SKNYBHDIYGTYPU-UHFFFAOYSA-N 448.163 0.878 50 20 ICGD Cc1c(C(=O)NNC(=O)Cc2ccncc2)cc(Br)cc1S(N)(=O)=O 747429251 JOZIKKHDQAOCGK-UHFFFAOYSA-N 427.280 0.804 50 20 ICGD COc1cc(C)c(Br)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 747613451 KAYYEUYTFHVRQI-MRVPVSSYSA-N 444.329 0.013 50 20 ICGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1Br 755509808 ZIEQEPXLDFTBNM-SSDOTTSWSA-N 437.272 0.326 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)COc2ccc(Br)cc2)n1 756770451 KTFBROBWAKBEON-UHFFFAOYSA-N 440.258 0.361 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 763650723 PVIVEOLDIFCVLI-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 763773442 XMWPNFFRGKUDAS-UHFFFAOYSA-N 426.385 0.329 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763893676 XNGSXOZDXVSZPJ-UHFFFAOYSA-N 436.494 0.438 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1-n1cnnn1 763975035 FOSNMJRRHFSCDA-UHFFFAOYSA-N 434.416 0.562 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cccc1OCC(F)(F)F 763998532 PQQBDKZOZZPQCC-SNVBAGLBSA-N 437.396 0.457 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 764203050 IKZAGEUWDYDTLH-UHFFFAOYSA-N 435.481 0.779 50 20 ICGD COc1c(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764231822 QGOULFXRQVAAGF-ZCFIWIBFSA-N 427.266 0.026 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(OC)c1 764284721 QSJFVVPIUXKIMN-JTQLQIEISA-N 428.401 0.823 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 764401239 USZHBOIHGAJFNK-OAHLLOKOSA-N 434.493 0.840 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2C)cc1 764406425 VZIXFFOSKKVCOT-UHFFFAOYSA-N 440.456 0.617 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C1 764423967 DXVJLBCJBRWQMP-JKIFEVAISA-N 432.477 0.306 50 20 ICGD CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764424568 JGYXRHWPSWDDRT-HNNXBMFYSA-N 434.449 0.486 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764430085 SGONNTMYDCMUAB-NSHDSACASA-N 433.202 0.101 50 20 ICGD COc1nccnc1NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 764481395 KBECUQQMBFJKEO-UHFFFAOYSA-N 449.489 0.800 50 20 ICGD O=C(Cc1c[nH]c2cc(Br)ccc12)NNC(=O)N[C@H]1CCS(=O)(=O)C1 765069752 BZVQHVMHFYFXED-NSHDSACASA-N 429.296 0.990 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3nccnc3OC)cc2)CC1 766260153 AMVAACGJKPMKCS-UHFFFAOYSA-N 427.465 0.345 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1 771932466 OZJQXDISFAVJHA-LBPRGKRZSA-N 442.494 0.049 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1 773086998 HZAHIYHKYBXJPT-UHFFFAOYSA-N 431.474 0.864 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)s1 773227608 ZPBYIUQFJFUJDN-UHFFFAOYSA-N 433.533 0.559 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)c(Cl)c1F 779830915 PBLXELBPDGTCOK-YFKPBYRVSA-N 432.810 0.061 50 20 ICGD N#Cc1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cc1 779990520 HJBFRQVGDYCVGS-OAHLLOKOSA-N 440.485 0.876 50 20 ICGD C[C@H]1CN(C(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2O1 782898002 VSMMKJGUBVZOBN-LBPRGKRZSA-N 431.474 0.555 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CCO1 784004226 CHVQLTKKASCEOE-ZDUSSCGKSA-N 445.501 0.489 50 20 ICGD CCCn1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784229736 GJHFLCNWGIZQRX-UHFFFAOYSA-N 449.537 0.311 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(OC)c1 785487189 BOBHHXHCHYJERL-UHFFFAOYSA-N 442.471 0.509 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c(OCc2ccccc2)c1 785995300 WXELQNHYNYXZMF-UHFFFAOYSA-N 426.429 0.639 50 20 ICGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 789156093 OAGUJKLDIQUADT-LBPRGKRZSA-N 437.522 0.998 50 20 ICGD Cn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(-c2ccoc2)n1 789266645 GEABTJUPQVHWNN-INIZCTEOSA-N 426.385 0.824 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C 789733293 YGNWMMNFJZEUHX-CQSZACIVSA-N 431.449 0.835 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 792641064 HZXSRXDVNBRCML-RISCZKNCSA-N 446.501 0.519 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 802110874 WHFCACNEMUKSRP-UHFFFAOYSA-N 425.854 0.999 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)ccc1F 806979953 KUKTYAPBERKOAB-UHFFFAOYSA-N 444.828 0.493 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 807235978 VEAOXSKCGHJUHH-ASSNKEHSSA-N 447.492 0.793 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 807380288 STXMJZQNQOOPKU-UHFFFAOYSA-N 443.576 0.890 50 20 ICGD CN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cc2C1=O 811955811 BJGUZHYOCCQGBX-UHFFFAOYSA-N 436.833 0.288 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(Br)cc1F 815691963 GRSDWQZLIOODKI-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD COc1cc2nc(C)sc2cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692090 IZIXGSMEURSUNJ-JTQLQIEISA-N 429.462 0.553 50 20 ICGD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692579 VGWCMNBZQBDHNX-SNVBAGLBSA-N 432.462 0.352 50 20 ICGD O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 849207652 OINYTHYAJGKWTF-DYVFJYSZSA-N 443.412 0.159 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1S(N)(=O)=O 915594061 FGHMRJYTURYWMA-UHFFFAOYSA-N 434.449 0.896 50 20 ICGD O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)N[C@@H]1CCS(=O)(=O)C1 915880304 FOXCTUMNPLFGRW-CYBMUJFWSA-N 433.490 0.254 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1C 916562065 KXKJZNFUCVJWMQ-UHFFFAOYSA-N 436.465 0.897 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 920338422 WRCBZHKIQQKNOF-UHFFFAOYSA-N 436.446 0.798 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=O)c1ccc(-n2cnnn2)cc1 1317673680 ULSULKJWKJCJFY-AWEZNQCLSA-N 448.896 0.944 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 1320245505 AMJXKHPIFGKVMM-UHFFFAOYSA-N 437.501 0.771 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c2ccccc2c1=O 1324430707 WADBZGAMOCEFRE-UHFFFAOYSA-N 436.490 0.332 50 20 ICGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1339728067 YAFRDABIKMLWMQ-UHFFFAOYSA-N 426.543 0.452 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)c1 1779034120 NCXVIXDFJIYOFM-JOCHJYFZSA-N 439.472 0.456 50 20 ICGD N=C1NCCN1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780772044 YSCXQTJTZIZYAA-AXAPSJFSSA-N 434.310 0.031 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326547 QCWVIEQFLZBJDM-BLLLJJGKSA-N 429.246 0.315 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1781855353 ZMPGFMYYMLPGDG-ORAYPTAESA-N 433.933 0.924 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782273535 GRHFOYVXXWTGBZ-UYAYXHRUSA-N 430.343 0.810 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1782647125 JPCJNQXONUKKQB-HOTGVXAUSA-N 425.382 0.537 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783530400 XETGWNYHDPPBHB-SLEUVZQESA-N 425.345 0.280 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1783937691 NBPXZAMJPBYQBM-YYDVJCTNSA-N 428.533 0.993 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1783964689 ZCOGKXIRFAJYJP-AICCOOGYSA-N 430.343 0.523 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1cccs1 1784085789 PHSFTJWFOTURIG-FQUUOJAGSA-N 429.926 0.057 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)cn3)[C@H]2C1 1786196935 JHMFEJWAMGJFCA-ARQYOALSSA-N 441.492 0.147 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCO3)[C@H]2C1 1787124005 SUSJTRKOZQKBPJ-DWJZEIJXSA-N 431.493 0.279 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cccnc2[nH]1 1788369803 RRDBESUSOQUNGC-QRFRQXIXSA-N 448.288 0.150 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc2ccccc2n1 1796190956 IMFRVSVQEAQRDE-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(C)C1)C2 1796441419 HQWMLMGDMLEDHA-HRHRNMPXSA-N 444.536 0.052 50 20 ICGD CC[C@@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)NC(=O)NCc1ccccc1 1799871444 GALBYDSWCXUOPS-IYWMVGAKSA-N 444.580 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802116724 UCHCPIOXQYGRCB-FWEDZOCSSA-N 437.924 0.648 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068569 NQLGAEUUADRTHA-OPYAIIAOSA-N 446.552 0.375 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813537605 SCHALBJGJQMIIY-OXQOHEQNSA-N 440.504 0.826 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCCO1 1814504518 RWBKXZAOLSEBOS-ROUUACIJSA-N 426.282 0.965 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815361856 SOUCGWXPPOFECI-CQSZACIVSA-N 440.290 0.588 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1816781667 FQSJXJPJAMZNIP-XJKSGUPXSA-N 444.330 0.837 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817473229 MWMAJTKFQMYROC-SFHVURJKSA-N 435.249 0.810 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819586021 RRAXGGXGXWPCIV-DZGCQCFKSA-N 433.513 0.466 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1819660049 PDSUMEUDJQNLKC-GFCCVEGCSA-N 447.456 0.720 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824587796 FAMRULCPVMTAHF-HNAYVOBHSA-N 429.326 0.111 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2c1 1830735434 HTUJRXCXLGMPIW-JXFKEZNVSA-N 447.879 0.104 50 20 ICGD O=C(Cc1cc(F)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738301 MUISYIVSJAGCRF-VQIMIIECSA-N 432.851 0.563 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831092643 ABKGOWCGDGLNDB-YRNRMSPPSA-N 447.960 0.247 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1831653915 GOOGQTSUYABHQF-WAOWUJCRSA-N 445.004 0.486 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833125455 VIYVNGBBCIUPBJ-ROUUACIJSA-N 431.320 0.712 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1834825312 XJRWETHTIFWLTN-GOSISDBHSA-N 443.294 0.953 50 20 ICGD O=C(Cc1noc2ccccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835978223 ZLRJFOCTXHRBKC-OXJNMPFZSA-N 437.880 0.426 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837394946 LYBULHRAOPBRPP-KSSFIOAISA-N 433.343 0.801 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)n[nH]1 1837588893 GXUCPCCZHUNESV-ZWKOTPCHSA-N 433.336 0.953 50 20 ICGD O=C(Cc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198194 WSSZOVJZPIWNPG-GOEBONIOSA-N 431.262 0.166 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839212784 KBNYHGBMPXTLDL-DEYYWGMASA-N 446.342 0.095 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840031943 HPFBGJPFKMRENP-KSSFIOAISA-N 426.311 0.864 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840036893 RZBVGGMISFGCPW-PXAZEXFGSA-N 428.283 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840153218 HUXVXJCAHVWAFP-FZKQIMNGSA-N 442.925 0.720 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355188 ARCJTQOYHHLGLW-PBHICJAKSA-N 444.330 0.156 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840498465 MMBCYOZPMNXRQR-LPHOPBHVSA-N 427.885 0.040 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CBr)C1 1841287935 OLQUAUXPRQJPEU-STQMWFEESA-N 438.326 0.829 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038227 GWHQYJCNGHFHCZ-XLIONFOSSA-N 445.564 0.943 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2 16231171 IGSJCUDEVKIOPR-UHFFFAOYSA-N 438.531 0.671 50 20 ICGD COCc1cccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 727350941 CWWFAPLMOKOFOX-UHFFFAOYSA-N 433.895 0.757 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc(Br)s2)CC1 730820106 BTKHITKQAHFWHS-UHFFFAOYSA-N 446.327 0.535 50 20 ICGD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NNC(=O)c1csc(N2CCOCC2)n1 731679550 OAFQSROLAYDFTF-UHFFFAOYSA-N 436.450 0.911 50 20 ICGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 732110535 DHULPKOLLPVFCR-RBSFLKMASA-N 448.505 0.684 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cn1 741304690 ORLNPRBRIOJGHU-UHFFFAOYSA-N 438.510 0.487 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC[S@@](=O)Cc2ccccc2)c2ccccc2c1=O 741420536 PQHSIBJKUVZNOB-SSEXGKCCSA-N 427.486 0.826 50 20 ICGD Cc1cc(NC(=O)CSCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)no1 744546031 HXHNUEDIACZYJJ-UHFFFAOYSA-N 431.430 0.531 50 20 ICGD CN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)C1 746948999 GXDOJDDWQQGNAB-HNNXBMFYSA-N 447.554 0.719 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747401398 JUWKHIMAPWPDRO-UHFFFAOYSA-N 449.327 0.471 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(=O)N1CCCC1 748247842 YPBGCDXUQSMHIN-GDNBJRDFSA-N 434.518 0.469 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 748603442 YRZLXTDWGHLEMK-GOSISDBHSA-N 425.511 0.975 50 20 ICGD COC(=O)c1csc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 749150516 ABRWDYOQZKUGTH-UHFFFAOYSA-N 447.516 0.408 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 751069332 JVXWBCKMCCBOOD-ZDUSSCGKSA-N 427.460 0.431 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 756632419 CIAOECQUMUNEJJ-UHFFFAOYSA-N 447.521 0.810 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 757998373 WRDXVNSLQXFLFR-VIFPVBQESA-N 434.400 0.982 50 20 ICGD COC(=O)c1ccc(NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)nc1 759740408 XBZLDZPIQQRKSU-UHFFFAOYSA-N 435.462 0.590 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1 760342607 LHZYCAAETUPGJU-UHFFFAOYSA-N 432.524 0.096 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2c1=O 762379632 MHSIKEJZYMUXAO-CQSZACIVSA-N 426.477 0.669 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNc2nccc(N3CCOCC3)n2)cc1C 762859541 FHQXCPSAGKALDC-UHFFFAOYSA-N 434.522 0.742 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1 763649892 LBPLUSHGSFFHBK-UHFFFAOYSA-N 428.445 0.723 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 763678972 KHXXNEBZDGLWPA-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763872784 OSWAUZBFWLBITP-CYBMUJFWSA-N 445.451 0.879 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccccc2O)c2ccccc2O1 764394631 UWFUZGPLUNBCBC-HNNXBMFYSA-N 445.453 0.599 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 764617611 AJBJAPKDSNWKEH-UHFFFAOYSA-N 449.441 0.935 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)c3ccco3)CC2)cc1 765731775 BQGXUIQPGVQIFY-INIZCTEOSA-N 434.518 0.845 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C(C)C)N3CCCC3=O)CC2)cc1 766639858 AUTWUVGREBABSN-QFIPXVFZSA-N 429.565 0.907 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)COc1ccc(C#N)cc1 767191868 LHBPMYVEQPUSJY-UHFFFAOYSA-N 430.486 0.734 50 20 ICGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 768072928 RMWNOUINEKQBSB-MRXNPFEDSA-N 435.956 0.864 50 20 ICGD CNS(=O)(=O)NCC(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 774325019 CQFWIZVNLMDSDT-UHFFFAOYSA-N 438.535 0.201 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061758 NKNPFMARESXUFY-UHFFFAOYSA-N 440.869 0.617 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 776077011 PRAOIFKUZPHHJD-DNVCBOLYSA-N 425.507 0.695 50 20 ICGD C[C@H]1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 776285556 NTWPWOKXDJMAGV-RDJZCZTQSA-N 439.534 0.603 50 20 ICGD O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)CBr)CC1 777777956 URRLFTSZULTSKB-INIZCTEOSA-N 446.367 0.714 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 778710233 QCDBXBJFCNWMNQ-VIFPVBQESA-N 448.295 0.368 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CC(C)(C)OC3(C)C)nc2)CC1 779385905 WVYMBJFTUSLFTN-HNNXBMFYSA-N 440.570 0.990 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1 779489846 VAPVQJWKWZILHG-HUUCEWRRSA-N 425.430 0.128 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)nc1 783264396 OTFHOUVRIBSJSP-UHFFFAOYSA-N 432.506 0.842 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)n1 785226949 LWGWOHZYRLSVIT-UHFFFAOYSA-N 429.481 0.872 50 20 ICGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 786767591 TZMAWKVGWZDDJQ-OCCSQVGLSA-N 447.366 0.220 50 20 ICGD CN(NC(=O)c1cncc(-n2ccnn2)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 801949267 NUOOSVJJMXKOFT-UHFFFAOYSA-N 430.469 0.912 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(Br)cc3)cnc2n(C)c1=O 801999022 PWTGJUDUAHKCHJ-UHFFFAOYSA-N 447.249 0.861 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 807220953 GVKPNMGCLALWQW-SNVBAGLBSA-N 441.428 0.991 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)COc1ccc(C#N)cc1)C2 807513796 GRTRIYYDNIECPL-IRXDYDNUSA-N 428.493 0.351 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)ccc2C)c2ccccc2c1=O 811863717 BCBWTXLSSSQXAD-UHFFFAOYSA-N 443.485 0.708 50 20 ICGD COc1ccc(C[C@](C)(O)CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 811871307 DINPPKSQDFDLIG-FQEVSTJZSA-N 434.449 0.351 50 20 ICGD CO[C@@](C)(C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CC1 812534944 TULFAHDOKKGSEA-HXUWFJFHSA-N 438.550 0.264 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 815779839 YDMKIKMNXKRLSL-IAGOWNOFSA-N 430.461 0.120 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1 817276828 QGBSEWGAJKBTRA-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(C(=O)C(C)C)CC2)cc1OC 906939464 SALIZNUTPWTRRR-UHFFFAOYSA-N 435.477 0.903 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914749730 ZRXHUZGPEDKBDS-GFCCVEGCSA-N 441.437 0.668 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267582 XFHASPNMYFBVQE-INIZCTEOSA-N 445.499 0.926 50 20 ICGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 917727317 DSULBLZMWGDQJK-UHFFFAOYSA-N 446.445 0.228 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CNC(=O)NCc2ccco2)c2ccccc2c1=O 917914424 DDXSARUUCWKQHU-UHFFFAOYSA-N 426.433 0.831 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 920292281 ZZUVCVAKFLMVMZ-BHEJFATLSA-N 436.534 0.420 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ncoc2[C@H]2CCCO2)CC1 1182815335 BXZSKKWLACYBDW-CYBMUJFWSA-N 436.494 0.614 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2C1 1324547683 HDNWZFJHWFKFBE-CQSZACIVSA-N 446.533 0.779 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2nnc(O)c3ccccc23)(N2CCOCC2)C1 1326578243 UNJWSACMMGNMLS-UHFFFAOYSA-N 444.492 0.549 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778903512 WGPYSFHRCZACHB-YPHICONVSA-N 428.338 0.930 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cs1 1779029401 WYMSVFCDAXYRBP-FQEVSTJZSA-N 444.517 0.136 50 20 ICGD O=C(c1ncccc1Br)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779650008 XSGRNVUJVTZVRE-LRDDRELGSA-N 432.702 0.887 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781094861 JJMWGUREOXJYBA-ATZDWAIDSA-N 435.396 0.689 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1 1781685959 OLFWFVONSFLBJT-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1783856007 LUWOKFRHTATPMY-SRVKXCTJSA-N 427.851 0.910 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C(F)F)c3=O)CCO2)C1 1783876996 DECBRFPHGDRHQD-FZKQIMNGSA-N 433.839 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1783934460 GIXDFYWHTNXUED-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Br)cn1)C2)[C@H](O)CCl 1792975276 MSXHLVPHISGQPN-YHYOWMERSA-N 446.729 0.576 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798528973 HZARRWBUBXUXCN-LMWOUKEDSA-N 426.311 0.762 50 20 ICGD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1O 1799756776 USNYTKWQMAMDBO-YVWYUNDQSA-N 448.520 0.367 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800643002 IUCQHXWIWGYECJ-BUWBCJGYSA-N 443.298 0.324 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363115 YGKXATJLLFOOHM-PZJWPPBQSA-N 446.272 0.028 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1808310621 XPEFOWGFRVAHHE-REBRKWNGSA-N 434.921 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@@H]1c1cccnc1 1813069521 YVJMBKXJLTYNJF-LVCYWYKZSA-N 430.553 0.555 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)C(Cl)Cl 1813081306 LXRUSWDFYLMNOU-HOCLYGCPSA-N 433.336 0.178 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1F)CC2)c1ccc(B(O)O)cc1 1815341252 UWNMIPTYZBCGKB-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD CC[S@](=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1819268187 VUNZJSRRXBCDFR-FOGNVHKLSA-N 440.570 0.934 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2[C@H]3COC[C@H]32)n[nH]1 1823058218 FAAYSMWJBULTHG-JSSFPYSZSA-N 439.476 0.607 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824939037 IAAAHZMZQJMOLD-GBIKHYSHSA-N 435.955 0.886 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnc[nH]1)CC2 1826083539 OUCIZHIMOCQVRN-LBPRGKRZSA-N 433.538 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CSC(=N)N)CC2 1826085340 NJMGHZHNIYURDX-VIFPVBQESA-N 427.556 0.055 50 20 ICGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)C(=O)c1ccccc1 1831146100 ZPBDBFCQJCPNMH-PXNSSMCTSA-N 441.887 0.749 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1)[C@@H](O)CCl 1833313012 QGYKDHXUMJUYSV-KRWDZBQOSA-N 428.961 0.170 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835406279 YFJOMHFHRMRNTQ-KDOFPFPSSA-N 446.342 0.096 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931395 QQEDKRKNPPIECH-HSZRJFAPSA-N 438.289 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837082561 YPPBMSQXBCFQML-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1837713002 CHNANGVZTIBCEF-IBGZPJMESA-N 448.556 0.046 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868053 QRZNLKDJICBZEE-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838528827 CXVNWZVCBJIIHD-OXJNMPFZSA-N 425.913 0.863 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839143939 MHBKNCXYGBXHHC-YLJYHZDGSA-N 430.977 0.098 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n(C)n1 1840031577 VEGRETIMVJFLJX-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840199937 PSFCCEBSZMVWBG-YWPYICTPSA-N 443.335 0.247 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(C)C)CCO2)C1 1840625461 LYSWIXDYVCYSAM-LANLTNFUSA-N 445.520 0.789 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012800 PYDVPMIMECZDCN-QGZVFWFLSA-N 445.325 0.487 50 20 ICGD CCc1[nH]nc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1Cl 1843109871 PESBBILEXXLZGF-UHFFFAOYSA-N 431.884 0.755 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CSc1ncccn1)C2 1843415889 YYTYQOJPZSGLTR-ZVHZXABRSA-N 441.517 0.906 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1CCOC1)C2)NC(=O)NCc1ccccc1 1845039288 AYODXCDPBOFMEZ-SFHVURJKSA-N 429.521 0.573 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845870462 OWSBLGBMRAZOMM-MKMNVTDBSA-N 443.410 0.627 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(OC)c1OCC(N)=O 15764914 BSDQXIMWLQFNNM-LLVKDONJSA-N 435.408 0.936 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 17329616 JQGYVPJSMOLUDK-UHFFFAOYSA-N 449.445 0.635 50 20 ICGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 109991352 DCJMYLAEDXFQOZ-UHFFFAOYSA-N 430.446 0.157 50 20 ICGD C[C@@]1(NNC(=O)NCCCNC(=O)c2cccc(Br)c2)CCS(=O)(=O)C1 726261566 YPSZBJRPQGTUAK-MRXNPFEDSA-N 447.355 0.950 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)CC2CCCCC2)c2ccccc2c1=O 726261745 UAENOULJFQVTBT-UHFFFAOYSA-N 428.493 0.964 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 730778310 MRZOXDBHYZHFEC-NRFANRHFSA-N 442.428 0.394 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1C 730784002 ZCVAQZFVEKVCGI-ZHZULCJRSA-N 429.521 0.855 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccco2)n1)NNC(=O)c1ccc(-n2cnnn2)cc1 731852382 IVZAMLVALHFIRC-UHFFFAOYSA-N 438.429 0.968 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 734242014 NYDOAJWUMCLEOP-UHFFFAOYSA-N 430.465 0.760 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl 734807500 SHROPLGDFUIKIR-UHFFFAOYSA-N 436.922 0.966 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)cc1C 736806458 ICGSTVJKLCRJFB-UHFFFAOYSA-N 433.486 0.988 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 740852886 NSHICAZKSPPZSV-UHFFFAOYSA-N 427.479 0.074 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 741740715 FFRFJWJNTNCUJD-WFASDCNBSA-N 431.424 0.931 50 20 ICGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 743831297 UWSXLKMINOEJSM-UHFFFAOYSA-N 431.478 0.930 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 744387652 DQIHELGRSQXPKL-UHFFFAOYSA-N 431.518 0.226 50 20 ICGD Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744544624 AHYLUFQFAHXLNR-VCHYOVAHSA-N 449.402 0.995 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 744621703 ZEVZCABPTFBXMN-HNNXBMFYSA-N 436.534 0.942 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 747103589 SEVSPYBJGKMHDD-UHFFFAOYSA-N 430.465 0.582 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nn1)OCC 748546450 KEIPFYUZGUHTFA-UHFFFAOYSA-N 439.498 0.045 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CCc2ccccc2)c1 749804142 PTWZFHZHABKCIU-UHFFFAOYSA-N 434.518 0.659 50 20 ICGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1=O 752014435 TZKSZIIPVWYHPU-XOBRGWDASA-N 425.449 0.537 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cc1 752900891 GQTFYUMTUSAGMB-UHFFFAOYSA-N 429.458 0.558 50 20 ICGD C[C@](O)(CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 755425621 BOLNXICGTSSPOA-FQEVSTJZSA-N 439.534 0.339 50 20 ICGD C[C@@H](Sc1nncn1C)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782011 KWCURTMBLHGCKG-GFCCVEGCSA-N 427.531 0.931 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(OCC(F)F)nc1 761487188 GINPRQKFBLKXEW-UHFFFAOYSA-N 447.442 0.945 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 761628545 XQPUNLYBKIVFKC-HLNSBACISA-N 433.486 0.487 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 763682674 TUWWBODUTWHIET-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1-n1cnnn1 763867611 XQLMOOMCTKWWOP-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 763878394 PXKICHBTLACTDX-LBPRGKRZSA-N 440.412 0.774 50 20 ICGD CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C 763879937 ABHSBRMGAMFNQK-UHFFFAOYSA-N 441.897 0.733 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cc(F)ccc1Br 763916579 GRJJFSVHNHHBOH-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc(Br)c1=O 764166263 AHPKOUGRZCABBJ-ZDUSSCGKSA-N 435.234 0.237 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)nc1 764228013 TVHRRWKVXBSHNV-GFCCVEGCSA-N 435.462 0.206 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1F 764320490 HXPWGQMUHTYNPR-UHFFFAOYSA-N 425.413 0.838 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc(S(C)(=O)=O)c1 764368234 SVNHYMHQAUUXIK-UHFFFAOYSA-N 437.430 0.568 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cccc(C(=O)O)c3)CC2)cc1 765127923 SABOKJBFGCTOFQ-UHFFFAOYSA-N 446.529 0.821 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3ccco3)CC2)cc1 765729955 BRFZNJRHHCIRJS-TWGQIWQCSA-N 432.502 0.755 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636200 MMMSMJOMCNHWGT-ZWKOTPCHSA-N 430.505 0.571 50 20 ICGD CC(=NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NCC(=O)O)cc1 767489639 UBYJPKRQGOCFHH-UHFFFAOYSA-N 433.442 0.975 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3cc(C#N)cc(Cl)n3)n[nH]c2n1 768704737 XELHKDWRKBVIJS-UHFFFAOYSA-N 447.916 0.960 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc21 770955768 ORKUUABKOUFHAP-DUBDDPSESA-N 425.449 0.537 50 20 ICGD C[C@@]1(NNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCS(=O)(=O)C1 775212152 KYRGSBFBLJBDOV-CQSZACIVSA-N 443.469 0.990 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 776535499 CVPWQKHTNWBZAO-UHFFFAOYSA-N 425.488 0.714 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 777765175 HUHYWWWIUUGIKS-UHFFFAOYSA-N 427.483 0.989 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 785023303 MUQSWBRYVRAEPJ-UHFFFAOYSA-N 447.379 0.676 50 20 ICGD O=C(NNc1nc2ccccn2n1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 791243096 XWXBQPFUMYVTAM-JSGCOSHPSA-N 436.881 0.650 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(C)n3)c2)CC1 794081997 UPKCIZWVJFILGC-UHFFFAOYSA-N 445.501 0.318 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c(C)c1 797004156 GUPKZBWEJWJSMU-UHFFFAOYSA-N 437.456 0.861 50 20 ICGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)NCC(F)(F)F 798314432 LKLSRCVCOLASAX-UHFFFAOYSA-N 439.460 0.731 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)c2C1 803836233 IBNITYVGEDZBBG-CYBMUJFWSA-N 447.879 0.853 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 805835789 SVZYOFCRYJORDD-CYBMUJFWSA-N 435.547 0.436 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 807371706 RVWZDEIOUPVOGQ-UHFFFAOYSA-N 444.329 0.708 50 20 ICGD COc1cc(Cl)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 808900534 SADBESXTEDQRAC-UHFFFAOYSA-N 449.855 0.257 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC 813533056 JONKHMNEWNQPCK-UHFFFAOYSA-N 427.421 0.832 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 814635639 HZJGVNIYUMIAPK-ZFWWWQNUSA-N 448.505 0.646 50 20 ICGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)Cn2cnc3ccccc32)C1=O 818515227 NLTHAJWGBLKYGE-NRFANRHFSA-N 438.419 0.790 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 912924831 SQPCSPLWJYFFQX-CHWSQXEVSA-N 446.957 0.851 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-] 918127388 KVSKTHOUZWKKSX-UHFFFAOYSA-N 426.389 0.995 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 919361424 OBMJBAALCCRWDN-INIZCTEOSA-N 425.507 0.894 50 20 ICGD COCC(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 919844606 ZVZYGJRFVGPMGR-UHFFFAOYSA-N 425.489 0.974 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4c(O)nc(=O)n(C)c4[nH]3)cc2C1 920274766 FMBRXRYHNDSSBO-VIFPVBQESA-N 430.490 0.942 50 20 ICGD NC(=O)N[C@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 928975565 VHFYBYVPNPYBOD-RHSMWYFYSA-N 442.428 0.317 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 1256495307 GBAZFSUMYWUHRW-UHFFFAOYSA-N 443.485 0.560 50 20 ICGD Nc1cnnc(NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1Cl 1319219911 OOLHNSSCKBTQKQ-UHFFFAOYSA-N 432.915 0.480 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2nnc3n2CCOC3)cc1Br 1320701905 LORHNYJCCOVYRX-UHFFFAOYSA-N 425.243 0.724 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1323831495 YJMILCGODGFFCN-UHFFFAOYSA-N 437.501 0.771 50 20 ICGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CC1 1778118082 UWZTUXGFDCSWEK-INIZCTEOSA-N 442.365 0.292 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778971516 PNCBPJCLUCBENE-QHMZKRCRSA-N 445.520 0.523 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779326261 ZWGYYETVQYYLMX-KYZVSKTDSA-N 447.374 0.991 50 20 ICGD Cc1cnoc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779976363 NDBAUBQJZRRPMP-DYESRHJHSA-N 427.266 0.104 50 20 ICGD O=C(c1cnn2c1OCCC2)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334049 USVABGLXESCZIL-MLGOLLRUSA-N 431.262 0.800 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781839912 QCGNODFZLMNVSB-UZLBHIALSA-N 433.896 0.965 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cn[nH]c1)C2 1782209512 VKUAPIUXISGPDU-DYESRHJHSA-N 434.541 0.229 50 20 ICGD O=C(Cn1ccncc1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788150323 CPVXDYLELASMAM-UHFFFAOYSA-N 446.272 0.371 50 20 ICGD O=C1Nc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)cccc2C1=O 1788433519 DIIBLJQTGJFIAC-HPEDKQMDSA-N 435.864 0.014 50 20 ICGD Cc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C)c1 1795740637 FLWWXRPLGABJHW-HATOLVCRSA-N 436.317 0.809 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1ccc2c(n1)OCCO2 1796281658 SHSOYSARROYJIU-DRXBFXEBSA-N 440.294 0.841 50 20 ICGD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440085 DEOLQFWJXPKTCM-RDHVDBPRSA-N 432.525 0.083 50 20 ICGD CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn1 1798439742 BGGSLFNNUQLELK-MUJYYYPQSA-N 437.504 0.712 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1805557761 MCHKJRQSSXQMER-DYESRHJHSA-N 439.520 0.873 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374683 JBQAJEWQUGDQJE-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)c1 1807671156 JVAAMKPHKHWTKS-GCJKJVERSA-N 441.536 0.666 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CCC=CO1 1810259292 WNVHYHLCPRBRKI-JBACZVJFSA-N 435.289 0.774 50 20 ICGD CCO/C=C/C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1813248156 JUKBOKMZNJJZIB-QMWVSLDXSA-N 438.488 0.950 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1817121522 MBTMEGHKUFZLJF-GPXNAGAYSA-N 426.821 0.029 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=O)N(C)C)[nH]n1 1822412369 PJPAOBDVORUBQZ-CQSZACIVSA-N 436.517 0.046 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542860 YLBSCVRLIJRMMI-GHMZBOCLSA-N 425.898 0.566 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088603 YVUDQRPOJQWUPH-VXGBXAGGSA-N 436.538 0.119 50 20 ICGD CSCC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089642 JOJNBHFAQCRXQU-AAEUAGOBSA-N 443.595 0.542 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCBr)CC1 1826937057 PAOPCTOWVFXGTI-CABCVRRESA-N 431.375 0.984 50 20 ICGD O=C(c1cc(=O)cco1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054798 KPWPAAILAJZAMP-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)ncn2)CC1 1831871215 PHPDQZLVPGXSQY-KRWDZBQOSA-N 432.525 0.789 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cnn(C)c2)CC1 1831876945 NPIQYJLWBUDENV-LJQANCHMSA-N 432.569 0.955 50 20 ICGD O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)ccc21 1837153112 LIWRXYDTDCHDQL-LJQANCHMSA-N 442.299 0.804 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837709025 SSGSGCKEVQTJBB-PXNSSMCTSA-N 427.618 0.779 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839176480 RCMOHKSMKQPXNN-KSSFIOAISA-N 447.326 0.736 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540460 FVEIHPMRCUHUNA-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839743237 FKNYGLQCYONFSY-SJBPYACQSA-N 448.470 0.923 50 20 ICGD Cc1csc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840182699 QDJKTAIWLVZLKE-FQEVSTJZSA-N 438.550 0.500 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1840406348 UXVRGLAVFAIYCR-KEYYUXOJSA-N 447.305 0.899 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2n1 1844666714 VPXKPOUGBGHBSV-UHFFFAOYSA-N 434.261 0.382 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217802 PMFQLSQEBLXNFI-ILXRZTDVSA-N 445.944 0.814 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 1846384090 BPKNLPIKAVYCQY-UHFFFAOYSA-N 443.483 0.596 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)cc1 1847559507 RUASLHYLYWWISX-HJWJTTGWSA-N 443.953 0.463 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O 11045371 DLXWOPJMOORXKB-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 726087498 SJTJUMNEUJXUDO-UHFFFAOYSA-N 425.327 0.602 50 20 ICGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 728312568 XWJDNDHDCHRDKI-UHFFFAOYSA-N 428.470 0.922 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cc(Br)c[nH]1 728715121 JLFWVCKKLOEXRL-UHFFFAOYSA-N 427.303 0.372 50 20 ICGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)cc1 728954305 BNLVNXTWFORQBD-UHFFFAOYSA-N 438.469 0.791 50 20 ICGD COc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC(F)F 730568829 DGDPJAATHOHAHS-UHFFFAOYSA-N 443.432 0.722 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 732083958 AVYJHVUUWKIOBO-LBPRGKRZSA-N 436.450 0.488 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474798 WPFDPIOXOANNEG-XJKSGUPXSA-N 446.501 0.412 50 20 ICGD O=C(COC(=O)c1ccccc1SCCO)NNC(=O)[C@@H]1COc2ccccc2O1 740969262 VMIOIOCJJCJWPO-INIZCTEOSA-N 432.454 0.915 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 744457764 UYMXGTLGEZTQSE-HZPDHXFCSA-N 426.429 0.428 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nc1 747594752 WDIPIVUWJXVBLW-OAHLLOKOSA-N 440.526 0.174 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1-n1cnnn1 755687208 OGMNMMKBJZGCOQ-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1-n1cncn1 758962209 VTJMPHSSRVXJET-UHFFFAOYSA-N 433.222 0.814 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 763488721 OVXFNRKVTULGIB-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763864668 FDIPRRODVQWAHM-GFCCVEGCSA-N 433.392 0.931 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 763900211 BSEFKAKGXGMHRC-UHFFFAOYSA-N 441.444 0.684 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 764002197 JYFVVQUQOXAWLW-QMMMGPOBSA-N 443.350 0.861 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 764398049 CETOGRHEHYMLPS-ZDUSSCGKSA-N 433.469 0.232 50 20 ICGD CC(C)(C)Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2ccccc2)n1 764432509 ICZKBOSOVGILKI-INIZCTEOSA-N 429.477 0.962 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1OC 764480823 WFPRGKFUEVBHAJ-FUHWJXTLSA-N 433.553 0.423 50 20 ICGD COc1ccc(OC)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765737346 YDRDWHUXJAMGIG-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636740 UAEWXBNSWGSQAV-UHFFFAOYSA-N 441.488 0.326 50 20 ICGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656632 YSDCRARHOUPWDM-UHFFFAOYSA-N 425.445 0.743 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 766829177 YBHJYZHATGDCLZ-UHFFFAOYSA-N 444.557 0.833 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1 769479935 SSOXFRQYWKRTAL-UHFFFAOYSA-N 439.476 0.559 50 20 ICGD CO[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 769726010 GGTOKJSCNAIJML-SFHVURJKSA-N 427.523 0.459 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1ccc(F)cn1 773512221 QOKYRLOQJNJEJA-UHFFFAOYSA-N 449.464 0.795 50 20 ICGD C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 775192856 RGQAHMWZZBVXNP-CQSZACIVSA-N 429.502 0.920 50 20 ICGD C[C@@H]1CCN(Cc2ccccc2)CC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776187846 NTUSBGSPEBPLTJ-OAHLLOKOSA-N 437.504 0.448 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n(C)c1 778682193 FHVLKHLUFOQINC-UHFFFAOYSA-N 443.507 0.145 50 20 ICGD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1(C)C 780233450 GSGNTIPOLGUREI-VPZZIHKRSA-N 447.554 0.667 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 783999617 QGFYGSCAXKIXGH-UHFFFAOYSA-N 435.334 0.069 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 784915598 DXULEKAIPDADCE-BETUJISGSA-N 441.510 0.116 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 789858107 OOMJUXHPWDNAPL-UHFFFAOYSA-N 431.499 0.956 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNc3nc4ccccn4n3)c2)CC1 792269618 RRLPLMXMQMJOSO-UHFFFAOYSA-N 430.494 0.814 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1C 798308060 OGBJWPPANBJICL-KRWDZBQOSA-N 440.435 0.649 50 20 ICGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 802527899 NBTMWKUYVMJNIH-ZDUSSCGKSA-N 434.478 0.108 50 20 ICGD C[C@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 806977978 HLUNDOKNCAXCIQ-BDAKNGLRSA-N 440.400 0.040 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1S(N)(=O)=O 808274245 MRULCQRLXFKTQV-UHFFFAOYSA-N 444.416 0.845 50 20 ICGD O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814637328 VJMDLFDYUVHUBB-CZUORRHYSA-N 442.480 0.994 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)ccc1OC(C)C 894369515 IMWVPWZULKUWSZ-UHFFFAOYSA-N 427.417 0.905 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(O)nn3C)c2ccccc2c1=O 915286483 YVQVBRFUTCVPMH-UHFFFAOYSA-N 433.428 0.873 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCCN1C(=O)CCC1=O 915555744 UWZWDURHGNREEV-UHFFFAOYSA-N 425.825 0.582 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(N(C)C)nc2)cc1 916444224 MPHUROAUHXZRCY-UHFFFAOYSA-N 434.522 0.607 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCCn3ccnc3)nc2)CC1 918139786 YYNMEXYGFUABQH-UHFFFAOYSA-N 436.542 0.321 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)c2ccc(Cl)cc2O)cc1S(N)(=O)=O 918362212 NXHGFFNSDZEPSW-UHFFFAOYSA-N 431.829 0.844 50 20 ICGD Cc1c(NC(=O)CSCC(=O)N2CC[C@@H](B(O)O)C2)c(=O)n(-c2ccccc2)n1C 1118976033 UKVIDAJPMFTXIU-CQSZACIVSA-N 432.311 0.231 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1319048229 VNQYCQVSMXNRMV-CQSZACIVSA-N 449.533 0.965 50 20 ICGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1520838776 RVXGXSPTBJFRHB-UHFFFAOYSA-N 433.428 0.298 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064644 QBFSDDJAZLAIOU-NRFANRHFSA-N 439.302 0.667 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1778352825 XWMCLZXEVDWMEW-FQEVSTJZSA-N 428.961 0.245 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1O 1779037325 VZDXTSJODBBHFM-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779210543 HFNYJOBTUOJHSF-RELCYYESSA-N 439.896 0.536 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1c(O)cc(O)cc1O 1781026627 DCIMITYFMLWSJN-QMTMVMCOSA-N 428.869 0.531 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781141363 XJZWRRKVLMDXKN-WGROYBIQSA-N 430.509 0.092 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1781219633 WDAUXWABSCMYGW-CKFHNAJUSA-N 433.933 0.719 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782018997 LKLAIAPOPFNNAF-YLJYHZDGSA-N 433.896 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1782170966 KCOYQDLWVBIDBD-KPAZRMRSSA-N 440.884 0.556 50 20 ICGD Cc1onc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)c1C 1782209400 MQYJOEJBCRHOGB-IIBYNOLFSA-N 435.525 0.792 50 20 ICGD COc1ccc(OCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933040 PATJWOKCTUAGDF-QFIPXVFZSA-N 448.520 0.277 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)COC3)CCO2 1783935058 OFRVVBLZHVMFRU-QFIPXVFZSA-N 430.505 0.533 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1783939261 BRWJSJOJIMHUFQ-NRFANRHFSA-N 438.475 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984376 JIQRVWWQZSNVEE-BVSLBCMMSA-N 436.317 0.593 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]21 1788609965 GZWXUKGUVVMTKB-JVPBZIDWSA-N 439.472 0.298 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Cn3cncn3)[C@H]2C1 1788727930 UXMCTXXQCCDMCI-MRLBHPIUSA-N 428.331 0.677 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1790961030 VZEVIGWBIDTMAD-XUXIUFHCSA-N 449.415 0.624 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cnc1C 1791288539 BPNWEELRAUXENP-WDSOQIARSA-N 431.537 0.665 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCc2ccccc21 1791384799 AFKZAULFGGCEDA-AWDZXFJFSA-N 448.328 0.690 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1792872179 PQEDNNBEOADCKN-KOFHJDLBSA-N 441.326 0.735 50 20 ICGD Cc1c(Br)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)nn1C 1792978576 GYLNQUZWKIUIHJ-NOHGZBONSA-N 449.733 0.294 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1793449140 UCGBAYQFYPEDPE-AHXJXLJNSA-N 433.896 0.700 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794951552 TZKPCFFFPRUTKI-OXIQGZBJSA-N 427.299 0.862 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCC1(F)F)C2)c1cccc(B(O)O)c1 1795737824 XCHCKTCWELKPHF-CYGHRXIMSA-N 436.264 0.395 50 20 ICGD Cn1ncc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)ccc21 1796188987 KKYSTBDPNQMQLQ-ACDBMABISA-N 432.289 0.819 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2)[C@H](F)Br 1799346633 UDDJKKCQIFGLQH-NVVZYBJKSA-N 426.246 0.852 50 20 ICGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)CBr)C4)(C1)C2 1800702618 ZAPBLKOLGYZBKG-CPBSFBEJSA-N 443.338 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2 1801011226 CCVAUOUNUYXTIF-CWPLJXCYSA-N 427.505 0.744 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801517574 WHAJYNMMJFYYHN-ZTENYAIWSA-N 447.444 0.760 50 20 ICGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(Cl)c1 1801731242 JQOVFRYDIMHPEC-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD O=C(CC1Cc2ccccc2C1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802175626 OGTMGALMGKQPMN-RUMRUAAYSA-N 448.328 0.375 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803135902 KGWQFAUTOAIEMW-DMRZNYOFSA-N 446.957 0.015 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803649971 HDESELBCMWBYAD-AHLTXXRQSA-N 425.283 0.979 50 20 ICGD O=C(CCc1cnc[nH]1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804425231 NJXRQVXFPDNCNO-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD Cc1cnoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360915 MHZAHIBAFJNPGP-PKOBYXMFSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807364659 JOQWXMGQHWLWSB-XMSQKQJNSA-N 445.288 0.114 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374542 HSRJPRNLBXGEST-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD Cc1nnc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)s1 1810102420 HWPCWHVRBQKWFE-UHFFFAOYSA-N 442.350 0.614 50 20 ICGD C[C@@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814927360 ALNJWRIPNUICIT-BDAKNGLRSA-N 429.344 0.678 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCOC1)CC2)c1ccc(B(O)O)cc1 1815347582 FPENWNMFVXPMAM-DZGCQCFKSA-N 429.307 0.475 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cs1 1817471077 DLHRGWYKQJWEQI-OAHLLOKOSA-N 440.294 0.748 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2)C(=O)C(=O)O 1824669362 APTQNUGHURRHQS-MRVPVSSYSA-N 447.311 0.383 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 1826088968 RFJZUGMSNNNFJZ-JTQLQIEISA-N 449.493 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)COc3cccnn3)sc2C1 1826765280 LBOWJWPRFZIZEB-LBPRGKRZSA-N 447.521 0.297 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cnc[nH]2)CC1 1828926812 SNNQDUKSQJYELH-LJQANCHMSA-N 439.520 0.884 50 20 ICGD COc1ccc(F)cc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738783 SNKVOZOFXHPONE-UZLBHIALSA-N 444.887 0.433 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739174 YOVOMJSGFFTESU-UTKZUKDTSA-N 448.907 0.746 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Br)CC)C2)C1 1831401977 KWFSYKKNEJOREV-IIDMSEBBSA-N 431.327 0.655 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)on1 1832573512 OSUAGRWSDMRQKY-SUMWQHHRSA-N 430.299 0.765 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4cn[nH]c4cn3)CC2)CC1)[C@@H](O)CCl 1833309860 BPPMZVFEGHOBCN-SFHVURJKSA-N 434.928 0.743 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833422635 FJQQMBPNGBUQOX-PBHICJAKSA-N 430.977 0.727 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnco3)CC2)CC1 1833595299 PUESFIOHUZATOP-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834703436 WYSHMEPFFAOYKP-KRWDZBQOSA-N 426.993 0.805 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835084155 OEAKQGCHEKHKCU-IRXDYDNUSA-N 449.907 0.587 50 20 ICGD CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1836848390 GNQLOJZRSHEQRX-INIZCTEOSA-N 438.974 0.674 50 20 ICGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](F)Br)CC3)CC2)=NN1 1838380119 MFJABHXTMNTUSE-CQSZACIVSA-N 433.278 0.551 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838646006 MYYVEIXNWXBEKQ-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839150283 HTXJHELRWZAKQD-ZWKOTPCHSA-N 431.320 0.712 50 20 ICGD Cc1cccn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c12 1839610219 BURSJFMEXVQSOB-JXFKEZNVSA-N 436.896 0.312 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840150595 NWTOQBPGTNMRHH-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1844264542 GEMIKNCCVGDIQN-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1 1844265577 QLQYFXXWSKXOQU-UHFFFAOYSA-N 436.472 0.774 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847059993 JDSGSTPRBGCDEV-INIZCTEOSA-N 435.289 0.002 50 20 ICGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1 727351878 CRVMYDLFONNBHU-UHFFFAOYSA-N 425.492 0.975 50 20 ICGD CCN1C(=O)C(=CNNC(=O)C2CCN(c3ncccn3)CC2)C(=O)N(CC)C1=S 728981640 GVGMNIKOZYVTEV-UHFFFAOYSA-N 431.522 0.193 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@@H](C)C1 731848432 JRWCBUWNEHKKCE-ULQDDVLXSA-N 440.589 0.157 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 732082944 RLWPDIHHSXQPIJ-AWEZNQCLSA-N 441.897 0.366 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 734240322 OGXVSQBRCJEVFE-UHFFFAOYSA-N 434.428 0.840 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2cccs2)cc1F 734922491 KHHNWQXXVFULLF-UHFFFAOYSA-N 442.446 0.868 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 742477789 KUESHTXORSUSHH-CYBMUJFWSA-N 449.485 0.573 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744808767 AOFXRFKMWBRAEI-UHFFFAOYSA-N 448.432 0.614 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O 746167549 UILQHHYIUIAIGA-HNNXBMFYSA-N 443.485 0.551 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 746219466 SQNWUEFYEKADIS-CQSZACIVSA-N 427.442 0.020 50 20 ICGD COC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccco1 746771590 UGINMKQALNHTGQ-HNNXBMFYSA-N 438.510 0.625 50 20 ICGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1 749824272 SVOMZLCRRLOTFN-SNVBAGLBSA-N 435.300 0.436 50 20 ICGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 751267245 NZSLGLRMAYHPDZ-UHFFFAOYSA-N 449.514 0.522 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1=O 752022991 JPKIADIEVMARIE-FKIZINRSSA-N 441.448 0.242 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 756613189 YOMJIRNTXPBSJC-SNVBAGLBSA-N 438.466 0.616 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 757678216 LNJKURHLEWVNIW-UHFFFAOYSA-N 433.425 0.813 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncc(I)c2)C[C@H](C)O1 757723087 UWIAYIMDMRXOTJ-QWRGUYRKSA-N 432.262 0.947 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 763530670 LGYBSYHYRXJGSY-SYWGBEHUSA-N 430.486 0.622 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574012 WTZHHRZZWDWAEY-MRXNPFEDSA-N 433.442 0.157 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C)cc1 763811748 LUZOYKVIMZWNGE-UHFFFAOYSA-N 428.445 0.870 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005523 ZPEGNOLVFGUJQU-UHFFFAOYSA-N 429.385 0.409 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764356451 WVIHJISPCJVKBU-UHFFFAOYSA-N 445.501 0.585 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)nn1-c1ccc(Cl)cc1Cl 764426990 XHWRDHLJFMLDBK-ZDUSSCGKSA-N 442.259 0.989 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)NC(=O)C3CCCC3)CC2)cc1 766649441 PFMNWGQUKFYFRB-SFHVURJKSA-N 429.565 0.955 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)no1 766659936 KAHQXDVJEBZWGU-UHFFFAOYSA-N 434.884 0.540 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=C(CNS(C)(=O)=O)c2ccccc2)c1 766682880 PJXXQORJWVYTGU-UHFFFAOYSA-N 438.531 0.620 50 20 ICGD CSCCNC(=S)NNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 770239273 JCNRIVSQGOTADL-UHFFFAOYSA-N 434.594 0.754 50 20 ICGD CN(CC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)S(=O)(=O)c1cccnc1 770965343 JLPNDBQASUTKPL-UHFFFAOYSA-N 434.482 0.446 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc21 770968984 QNHHMWHXYWGSJO-OXHZDVMGSA-N 443.464 0.283 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 772967661 PHYJFZRVZODDKK-LLVKDONJSA-N 448.867 0.092 50 20 ICGD O=C(NNc1ncc(Cl)cc1Cl)C(=O)Nc1ccn(CCN2CCOCC2)n1 773679155 BDESCKJUZFXLQS-UHFFFAOYSA-N 428.280 0.999 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 778445234 FVWVBNJEOQBTSM-UHFFFAOYSA-N 429.817 0.650 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c1 780597494 DBPJXOHOPUGPLF-WBVHZDCISA-N 432.433 0.282 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 782966211 LHGMOQCVVIXNGE-CYBMUJFWSA-N 438.868 0.652 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ncnc3ccsc23)cc1 783255781 XUGFRXAXOJOEQP-UHFFFAOYSA-N 436.475 0.955 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783262376 CXUVTBILOWYIOD-UHFFFAOYSA-N 435.462 0.637 50 20 ICGD CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 783426626 IFTLZQMJHGDEQC-HXUWFJFHSA-N 436.534 0.695 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)n1 784210242 KANSAEKBKUEADQ-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1nnc(O)c2ccccc12 784293345 WGLVHSZYDYISAE-CVEARBPZSA-N 425.445 0.538 50 20 ICGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(F)c(Cl)c1F 793450421 MGVOTNUCQORYNV-LURJTMIESA-N 435.796 0.480 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCOC[C@H]1C)c(=O)n2Cc1ccccc1 794476660 PNMOOOAVUZSRGE-OAHLLOKOSA-N 438.488 0.957 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccnc(NC(=O)C3CC3)c2)ccc1Cl 794781102 PIRQZPFSBNRYOC-UHFFFAOYSA-N 437.865 0.806 50 20 ICGD COc1ccc(-c2nc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s2)c(F)c1 800690796 NPENTJDRGWEHJL-SECBINFHSA-N 430.483 0.965 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)cc1 800948826 SYDLXMNJMQRYNF-UHFFFAOYSA-N 425.488 0.729 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c(C)nc3ncnn3c2C)cc1OC 801437609 JXBYXARYYYEPQV-UHFFFAOYSA-N 428.405 0.376 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802117080 FEWBHUOJWWKBBV-LBPRGKRZSA-N 437.526 0.623 50 20 ICGD Cc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 802323931 PSCJOAYKKKGAIL-UHFFFAOYSA-N 428.401 0.946 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)C(=O)Nc1ccccn1 810526695 DWGBWYYWCDOEKU-UHFFFAOYSA-N 445.379 0.165 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc4ncccc34)c2)CCN1 812980095 KIPUAZXPTFTOQE-UHFFFAOYSA-N 446.467 0.566 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 913445740 WBMGMLTZLFWULK-UHFFFAOYSA-N 449.485 0.661 50 20 ICGD CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916250673 TWWXFKQACMKMOB-UHFFFAOYSA-N 447.517 0.783 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 919779779 ZFXVROQKHGUKNS-LBPRGKRZSA-N 444.477 0.276 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 920279421 GZHZMLMPZWPUQS-UHFFFAOYSA-N 441.443 0.477 50 20 ICGD CN(C)N(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1CCS(=O)(=O)C1 1116363682 NUFAZOPBBLPIKI-NSHDSACASA-N 432.300 0.788 50 20 ICGD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)[C@H]2C1 1327109147 ZEFPLZMYLXUPFN-OKZBNKHCSA-N 429.525 0.670 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946867 VJMQOGCFPBZKCY-APPDUMDISA-N 430.292 0.229 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094963 XGKFMAZISDTLOW-URRYWWILSA-N 428.913 0.321 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)[C@H]1CCc2nc(O)nc(O)c2C1 1785328985 LKWSGJUUWHGOBZ-YLHIVMMESA-N 442.875 0.507 50 20 ICGD Cc1cc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785669496 HXTOXLVSVOTLPT-JQFCIGGWSA-N 426.477 0.229 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507066 VVFBREVGYHQOAP-WODDTNHNSA-N 447.536 0.507 50 20 ICGD CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1787525614 YGAVMQICYKUMCX-AJNGGQMLSA-N 432.359 0.769 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787566464 PKMTWWAUEQKOGN-SAVYNJCVSA-N 439.476 0.204 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(C)(C)C)n[nH]3)[C@H]2C1 1788915233 NYHAMEPHXWFVFL-ZOBUZTSGSA-N 448.568 0.674 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(C)c1 1789502429 RWMLKDAWPYTJMN-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1789540975 MCZSUYYCZGZEIZ-WDSOQIARSA-N 432.521 0.662 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791349198 ANAMIBUAJQUVKH-YTFOTSKYSA-N 430.343 0.666 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2)[C@@H](O)CCl 1792977462 VWMYRDTVQLEPHA-NVVZYBJKSA-N 428.276 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CCN2C 1797019848 NWNCCPROWQCFRM-OPMZPASUSA-N 443.548 0.255 50 20 ICGD COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cn1 1797030253 PEBVUBCCGDRARR-BCDXTJNWSA-N 437.261 0.114 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1798522908 DFAQVRGDCJEHOL-CCWDJLKJSA-N 446.460 0.285 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800809125 FPWNJPUWVNZCQK-NSKVJOCLSA-N 440.460 0.124 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 1801524954 XIUZYTZFJRWVGJ-VCRDFAGPSA-N 441.532 0.859 50 20 ICGD CN(CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C(=O)OC(C)(C)C 1802130985 DFGUYWXKYOKNLK-IVSAIRAKSA-N 447.960 0.823 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803681818 WARREFHPFZDVTQ-QOKNQOGYSA-N 440.504 0.682 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807055651 NJMMXJXOALTGBE-KYOSRNDESA-N 425.331 0.601 50 20 ICGD Cc1nnc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807362071 DKJTWOZYVPUHCA-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365532 YCUHJDRMSTYZBO-RXVVDRJESA-N 446.272 0.028 50 20 ICGD Cc1cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cc(O)n1 1809978408 SKMHZXWLKVPREE-UHFFFAOYSA-N 437.305 0.934 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1O 1810662830 YQGKHPIYAIMWDP-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1813034850 YZSKVDWPDHPJJL-INMHGKMJSA-N 441.985 0.825 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814916151 NITLYPJXUMBGFK-ZJUUUORDSA-N 443.371 0.926 50 20 ICGD Cn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354704 BCHBVNJHRNIXPH-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471336 FURVNIGTCYKWMF-KRWDZBQOSA-N 441.297 0.168 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475574 UPEMBWXAKDPFJX-INIZCTEOSA-N 438.253 0.330 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793287 LNRQLPBPOLMWCI-VXGBXAGGSA-N 444.517 0.959 50 20 ICGD COc1c(C)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830733687 RATYFUNUGHZSDR-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831644515 YWRIDWMHDWBBDV-LIRRHRJNSA-N 426.901 0.963 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832424789 MYEAWKKUZSWLSD-JXFKEZNVSA-N 429.945 0.863 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236805 UWRVYNXYYMUKGB-LRDDRELGSA-N 430.303 0.059 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835626183 GIQNWFIAVMYPJK-GOSISDBHSA-N 426.546 0.487 50 20 ICGD Cc1ocnc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836011733 GVXCFZGRUGQBSL-UHFFFAOYSA-N 434.541 0.541 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836170758 COZYRAIPBXJLCX-WMLDXEAASA-N 429.315 0.513 50 20 ICGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198351 CGTZOVUOIXYGBS-HOCLYGCPSA-N 433.278 0.489 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605880 DJGKJAFNCOCXQT-YPIIOCQESA-N 431.327 0.366 50 20 ICGD COc1ccc([C@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847773448 BYVIAQFVCVBCOC-CZYKHXBRSA-N 434.301 0.994 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)N1 1848098974 BNXJWUFPLAGHRX-RFGFWPKPSA-N 428.917 0.599 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)c1 16205293 MQQLJXRAMGPYPM-UHFFFAOYSA-N 439.497 0.971 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 22411780 BQKDEDZHNGZKRZ-ZDUSSCGKSA-N 431.474 0.023 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 729274913 HEKONUIPXAIJAO-LBPRGKRZSA-N 440.503 0.186 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 729276214 ZJYHHIKZRAFZIG-ZDUSSCGKSA-N 428.474 0.633 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 729511999 YZJOEKMVCALSOJ-OAHLLOKOSA-N 425.449 0.753 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(OC)c1 731194354 PNGOZMZSDNRQGC-UHFFFAOYSA-N 432.458 0.889 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@@H]2CCOC2)c1 731762863 NZGMQRXDIMSAKQ-OAHLLOKOSA-N 442.538 0.714 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 732259059 KVDMAKIAMZMHGH-HNNXBMFYSA-N 432.458 0.536 50 20 ICGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 732575617 FYDKQZKBAMQXTQ-ACJLOTCBSA-N 425.445 0.535 50 20 ICGD CC(=O)[C@H]1CC(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)=NN1c1ccccc1 733540095 QEROCVCPJNCLOV-MRXNPFEDSA-N 443.485 0.909 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=C(C)c1cnccn1)c(=O)n2Cc1ccccc1 734747046 OFHNZJYDWHUSDN-UHFFFAOYSA-N 446.471 0.758 50 20 ICGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2)[nH]1 737923722 VXDCPOUFRKFYNQ-UHFFFAOYSA-N 438.440 0.859 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccc2F)cc1 746240059 SSAKOBNHQGQPBW-UHFFFAOYSA-N 437.449 0.671 50 20 ICGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 746366622 CBTVFQLLLRSMEX-YPMHNXCESA-N 426.886 0.527 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)o1 747374254 WCSMVEPVBAUYJE-UHFFFAOYSA-N 442.453 0.932 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nc(-c2ccccn2)nc2c1CCC2 748341394 SKFPXLSKDUQCLD-AHCXZYCDSA-N 434.456 0.633 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 748613536 KYQGYACAADZBRM-HNNXBMFYSA-N 442.538 0.743 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCOc2cccc(C(N)=O)c2)c1 751298024 VZDXCIVXRNSOKV-UHFFFAOYSA-N 434.474 0.266 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 755140853 WVVNHZRVNUTBNH-LBPRGKRZSA-N 437.428 0.892 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2F)c1 755397853 KPJOXHZVHUATHF-UHFFFAOYSA-N 443.478 0.554 50 20 ICGD COC(=O)Cn1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 756647991 VFUCAOSGHMUGPM-UHFFFAOYSA-N 429.481 0.421 50 20 ICGD Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 760921221 YYEXBUHMRHLDCD-UHFFFAOYSA-N 448.474 0.984 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2ccccn2)c(OC)c1 761275537 YHGBSPGWBHRBJS-UHFFFAOYSA-N 442.519 0.794 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 763619283 QFINVJRJWYZDTR-UHFFFAOYSA-N 434.474 0.410 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cncc(Br)c1 763802334 BEYYPOSJKIOMLE-UHFFFAOYSA-N 438.194 0.917 50 20 ICGD CCOc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC 763922654 XRBIZYRQALGZCP-UHFFFAOYSA-N 425.405 0.469 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 764002691 QKDJLONDWKORLS-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD O=C(NNC(=O)c1cnccn1)C(=O)Nc1cc(F)c(F)cc1I 764025579 XHQRONIZTQCNDD-UHFFFAOYSA-N 447.139 0.759 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 764124121 CLLAPNYGEOILII-UHFFFAOYSA-N 433.486 0.959 50 20 ICGD Cc1nn(CC(F)(F)F)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764181968 AALISPYOLAJIRV-AWEZNQCLSA-N 442.350 0.898 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Cn1cnc2ccccc21 764534609 SGSYJUOZDGELAH-UHFFFAOYSA-N 436.476 0.103 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNc1nc2ccccc2c(=O)n1C 765537328 CTXKIMOSDKAUOF-GFCCVEGCSA-N 426.458 0.615 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1 765583518 PLWKXUWEKFJFOW-UHFFFAOYSA-N 435.384 0.746 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765732003 DUYIXXXGRBDYBW-UHFFFAOYSA-N 441.444 0.579 50 20 ICGD COc1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1F 765737015 DEGRRWNTSFFKPX-UHFFFAOYSA-N 428.464 0.982 50 20 ICGD CCc1noc(CCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 766644339 UUPZNZYSXYYZJJ-UHFFFAOYSA-N 428.493 0.560 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 766867166 NUPRWFNSTZMMGT-UHFFFAOYSA-N 426.520 0.836 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)n[nH]2)c1 768264140 BTYUZNYJGMRUGS-UHFFFAOYSA-N 445.505 0.475 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 768634447 KBDCZPGZHHQYJZ-UHFFFAOYSA-N 447.473 0.110 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)nc21 770972543 ROLUHDQOCAMBMV-UHFFFAOYSA-N 445.505 0.759 50 20 ICGD C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)NCC2CC2)C1=O 771252172 PBXBULVLIOLTAK-KRWDZBQOSA-N 438.282 0.957 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ncc1Br 773533356 UENYFKROIDBUIY-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 778287975 AWRXWGWJZQSJLX-UHFFFAOYSA-N 431.478 0.239 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)cc1 779577726 GIVXOAQRHOODHK-UUWFMWQGSA-N 428.445 0.971 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ccccc2C(=O)OC)c1 780729005 JBHHFOSVXWNZKE-UHFFFAOYSA-N 436.490 0.809 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccnc2OCC(F)F)nc2ccccc21 782895204 XGTFTKQNODEPGC-UHFFFAOYSA-N 432.387 0.941 50 20 ICGD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004744 SDXPAAXXKCKXIT-UHFFFAOYSA-N 429.433 0.698 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)n1 785226979 MDVOMAQSNDDLGA-UHFFFAOYSA-N 447.521 0.263 50 20 ICGD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 787737569 WPQFJURNMBOERV-CQSZACIVSA-N 438.554 0.519 50 20 ICGD CCOC(=O)C1(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCC1 789200699 XXRABUIDCSEHHG-UHFFFAOYSA-N 430.505 0.715 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 793223962 TVBVPNVYWQZQME-UHFFFAOYSA-N 443.416 0.359 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 802721398 XVSJSBSVLMDTFP-UHFFFAOYSA-N 429.432 0.630 50 20 ICGD COC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 804125453 ARAXBLXBLVVMBP-LLVKDONJSA-N 440.400 0.347 50 20 ICGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1 806748606 QCCACJLRRXZCGQ-ZDUSSCGKSA-N 429.433 0.856 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 811884505 KJOOFDKWFKZHRZ-UHFFFAOYSA-N 439.519 0.271 50 20 ICGD CCc1c(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cnc2ncnn12 915394442 RPMKSWRVMKNSRN-UHFFFAOYSA-N 432.824 0.967 50 20 ICGD COCCOc1ccc(CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 916512332 IRCKWVHSYCHNJQ-UHFFFAOYSA-N 426.433 0.498 50 20 ICGD O=C(NNc1cncc(Br)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1116389471 CAKSARAOQGTXIL-NSHDSACASA-N 430.284 0.453 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)CC1 1778354449 KVZKFHUPKKIWKX-MOPGFXCFSA-N 449.379 0.217 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(C)n1 1779032777 VDVIOCJBNRPJJA-JOCHJYFZSA-N 438.488 0.454 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)n1ccccc1=O 1781330884 AKMBLIIOBFUPRL-SUYBPPKGSA-N 430.274 0.930 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783353873 RATPTMVLFRJULS-GJYPPUQNSA-N 445.402 0.626 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1784615612 UMQIOPZWZMKKKP-QXKUPLGCSA-N 437.990 0.701 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(F)c3)[C@H]2C1 1789514657 IKGRZGSJGPBYDE-JVPBZIDWSA-N 441.463 0.731 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc(O)n1 1791290977 HIOKWHVQNIGFHY-XIRDDKMYSA-N 433.509 0.062 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791648321 ATKTURYNSICNTF-XQLPTFJDSA-N 428.331 0.821 50 20 ICGD Cc1cc(C)n(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1794399896 RQLNMFSPWQFGTB-MUJYYYPQSA-N 425.493 0.450 50 20 ICGD Cc1cnc(Cl)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794966635 VDXWMVHHDOWOJK-JLVBRIDZSA-N 443.696 0.240 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccs1)C2)c1ccc(B(O)O)cc1 1795732432 FJMDHKNUQVXZPJ-CWPLJXCYSA-N 428.319 0.264 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848636 RSHGHTRUCCAJGX-OQMKEHIESA-N 442.310 0.773 50 20 ICGD Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191626 GVHQHFIIVSDKJA-ACDBMABISA-N 449.316 0.874 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cc[nH]c2c1 1796816784 BUCFDVDGFVQFDQ-UPHUGPLXSA-N 427.505 0.744 50 20 ICGD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)ccn1 1797244896 DUBDKKOKHTXSAS-REPLKXPHSA-N 436.277 0.285 50 20 ICGD O=C1COc2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1798109081 VQKHTGJIVBSWDK-BCDXTJNWSA-N 449.272 0.263 50 20 ICGD CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)cc2C1 1801016821 UAUPDNDJPUJKQY-JJLQDPRZSA-N 430.336 0.726 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1804358128 GAGPZCWBLIIVFB-WKCHPHFGSA-N 449.316 0.357 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)ncn1 1804964070 LWIGEOHJEOOIJG-VBNZEHGJSA-N 433.852 0.489 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1805658669 JKTQJCKZXDBJLD-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD O=C(COc1cccnc1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806837151 OJEHMNXNDFNKIW-UHFFFAOYSA-N 437.305 0.685 50 20 ICGD CCc1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)co1 1807361530 QWZXTMFKOQRKHH-UTKZUKDTSA-N 448.288 0.945 50 20 ICGD Cc1ncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807364184 SNZVMQXRWRAJJF-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1 1813072217 BUVOBMDDWKZKFZ-HRAATJIYSA-N 440.504 0.875 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813600070 UMFDPUOENQQBBW-DENIHFKCSA-N 438.337 0.421 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cnsn1 1816166883 YXKXJABXTBDAQH-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819449447 XNOGJRZAWRYVMY-WRSAYESZSA-N 429.905 0.306 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cncn1 1822763180 NKYKSACTYLNFBK-DYVFJYSZSA-N 437.269 0.248 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1cnccn1)CC2 1826092126 MXQNGYUJTAAQQA-BPJJOFIESA-N 443.533 0.932 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cnn1C 1826104729 IEMLCJXXQHMEDI-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059664 SNKSABZTPDDMNN-MOPGFXCFSA-N 444.341 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 1828926960 VCQRBWYGZWTRHH-MRXNPFEDSA-N 426.481 0.350 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1830544941 CJRPLUJDJOISRB-RKVPGOIHSA-N 443.342 0.932 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830733453 MSMMKROENROKBB-YLJYHZDGSA-N 426.897 0.755 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1831651844 UDVLAOPROFDWIP-ACJLOTCBSA-N 428.921 0.183 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1832067148 CKXNYAILWWFRKK-MRXNPFEDSA-N 425.530 0.335 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834131874 CIMUZWDGOAWISH-FZKQIMNGSA-N 442.310 0.944 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)cn1 1834525818 RTGPFBQZOXOEGT-IBGZPJMESA-N 426.901 0.820 50 20 ICGD CC(C)(O)CC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834575194 LRICZGRLCGLJGQ-UHFFFAOYSA-N 446.552 0.031 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)c1cc(=O)n2[nH]cnc2n1 1834795642 OAQLNYVNIPSNBV-HNNXBMFYSA-N 439.879 0.137 50 20 ICGD CC(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798938 IEALDYBEDFFEBC-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3=COCC3)CC2)CC1 1835737429 UBNRBOHPYIFULY-UHFFFAOYSA-N 442.520 0.175 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1836107483 QYLFDKAPQRFKLE-UHFFFAOYSA-N 447.492 0.664 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)CCBr)CC2)CC1)C(=O)O 1837651747 HBBWDPSEXSSVSD-HNNXBMFYSA-N 448.358 0.833 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838479726 BGPSBLUQVAFBFT-KUHUBIRLSA-N 441.868 0.134 50 20 ICGD N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1F 1839185850 NYKGTOSCOPWGCO-PXNSSMCTSA-N 439.871 0.296 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203815 XRIUNQHAUGBHJL-PBHICJAKSA-N 446.273 0.355 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840037134 UTLDKOVGHVCJCW-IAQYHMDHSA-N 448.343 0.137 50 20 ICGD O=C(c1cncc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840063019 KEASJXVXBNTFKU-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187767 VQHIJRWQOICAOX-BLLLJJGKSA-N 437.349 0.273 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844287561 CUMFQJMUTFWJAU-ZIAGYGMSSA-N 433.299 0.858 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc(Cl)c1 18183543 QYPPTDXRIWCMTE-UHFFFAOYSA-N 426.882 0.774 50 20 ICGD CCN(CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CC1 726281542 YFGARXHTYKOANL-UHFFFAOYSA-N 425.559 0.128 50 20 ICGD Cn1cc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c2ccccc21 727749250 USTDOUJDFOEDPX-UHFFFAOYSA-N 428.430 0.149 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 729358774 KHFJRBKWFPQWKS-UHFFFAOYSA-N 448.379 0.154 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3CCSCC3)nc2)CC1 733657433 IRSYUGDUAKTJKK-UHFFFAOYSA-N 428.584 0.787 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNc3ncccn3)cc(-c3ccc4c(c3)OCO4)nc21 733949887 CVXKLHPAMLKMRA-UHFFFAOYSA-N 433.384 0.977 50 20 ICGD Cc1cc(C)n2nc(NC(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)nc2n1 744449911 HYBXITGXHOUMKB-UHFFFAOYSA-N 446.493 0.911 50 20 ICGD Cn1ncc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cnc21 747294055 NNJVSZJYQJQQSG-UHFFFAOYSA-N 444.473 0.064 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 747602199 OQMCKLYSNDDAAZ-QMMMGPOBSA-N 427.298 0.202 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748522396 SMIXBRNLQQJSOS-HBJVGIJOSA-N 447.391 0.586 50 20 ICGD CC(=O)N[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CCCC1 748611333 KLOQAQXXSIVVFX-LJQANCHMSA-N 437.566 0.761 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1OC 752020407 PSBGSXGMYPNRMN-ZUOKHONESA-N 433.465 0.758 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)s1 758838120 FCNKIHLPLNTFGM-GFCCVEGCSA-N 437.503 0.391 50 20 ICGD O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 763426193 QYNWSPCRDOZCRR-UHFFFAOYSA-N 439.472 0.148 50 20 ICGD O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 763639000 HWMCDVCNYSBRDK-UHFFFAOYSA-N 449.349 0.846 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 763648699 WKBAFBRSTPHLSC-UHFFFAOYSA-N 448.501 0.733 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763837572 IYUDYJDBEGEHAI-UHFFFAOYSA-N 431.424 0.531 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)ccc1F 763976717 DVYZGJAFWXSQLU-UHFFFAOYSA-N 433.787 0.869 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 764003090 YCDVIABQTVTFEA-UHFFFAOYSA-N 426.202 0.425 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1F 764006081 KSRUTDHSYNKKTP-UHFFFAOYSA-N 441.379 0.281 50 20 ICGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764006590 QTJAUMXHEDWIBQ-UHFFFAOYSA-N 427.413 0.963 50 20 ICGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1 764077031 KHQGMIXSONSRFT-XQNSMLJCSA-N 435.506 0.776 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764166610 DZRMGTPJIKYSKT-QGZVFWFLSA-N 444.469 0.217 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 764204155 JTWSLVVPFLYAOR-UHFFFAOYSA-N 425.417 0.315 50 20 ICGD Cn1cc(S(=O)(=O)NCC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cn1 764330173 XNQQPNJBZLLYTG-UHFFFAOYSA-N 428.421 0.012 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cccc1S(=O)(=O)NC1CC1 764354968 XAJQEUGKUSKFGB-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(-n2cncn2)cc1Cl 764677521 ZDHVSRZLWPLGBK-UHFFFAOYSA-N 448.896 0.346 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)[C@H](C)O)cc1 767303680 ISYAMBAMQNOZIV-UGSOOPFHSA-N 439.465 0.388 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 770460478 JIIPKDHYEAHTMW-ZDUSSCGKSA-N 447.945 0.015 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 771851393 SNPLOAXPTBLBEL-GFCCVEGCSA-N 427.479 0.582 50 20 ICGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)nn1 773498600 BCISBALGRYGNLV-ZDUSSCGKSA-N 441.423 0.972 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(I)cn1 773545991 MSZSTDUQIYFUFK-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD O=C(NNC(=O)c1ccc2nnc(S)n2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 774330363 RKOHPUSDULPIBZ-UHFFFAOYSA-N 446.514 0.877 50 20 ICGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 775458675 MRVWORAADHUAMJ-GDBMZVCRSA-N 426.543 0.459 50 20 ICGD COc1ccc(Cn2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)cn2)cc1OC 777621901 ANKCKZRHYKKGSE-UHFFFAOYSA-N 427.417 0.733 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 777755932 FIDRXGXENVMHND-AWEZNQCLSA-N 445.476 0.844 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)nc1C 778421364 KKCOCBDVGDWISM-UHFFFAOYSA-N 425.442 0.913 50 20 ICGD C[C@@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCOC1 781103225 ONYSEVLRLBSRKZ-HXUWFJFHSA-N 439.534 0.604 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cn1)NC1CC1 782926389 HRBVXXJJSMYKMR-UHFFFAOYSA-N 439.259 0.868 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cccc(F)c3)c2)CCN1 783040368 NDXKYXPQHDUEKV-UHFFFAOYSA-N 435.437 0.028 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783265698 WPWXNRPYKFWLEB-UHFFFAOYSA-N 448.505 0.600 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1N1CCOC1=O 784003465 GTWNVDIDVPAVCI-UHFFFAOYSA-N 431.430 0.221 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1C(F)(F)F 784216785 PPNGDDGZYANXGV-UHFFFAOYSA-N 446.411 0.961 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn(C(C)C)c3)CC2)cc1 787125797 JTPJYCCGWMDEAZ-UHFFFAOYSA-N 448.549 0.540 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1N1CCNC1=O 787555852 PTHODXVBLUNDFU-UHFFFAOYSA-N 444.473 0.102 50 20 ICGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 789584886 TXUVYGGHZAUJMA-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CCOC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCOCC1 794780129 KHZVTWQLSULHIY-UHFFFAOYSA-N 433.870 0.108 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369306 SFKOZXFYSCNDMR-UHFFFAOYSA-N 442.403 0.850 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C#N)s2)cc1 797815299 OTTYXIRIAZARHB-UHFFFAOYSA-N 428.517 0.558 50 20 ICGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 799520893 RPYDNCLWXHMNEV-ZDUSSCGKSA-N 431.522 0.661 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2c1=O 802066854 BPTRRULEFYTGLF-UHFFFAOYSA-N 445.457 0.992 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806568983 GMVBTSZMJDMSAO-SKDRFNHKSA-N 444.407 0.746 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 810343240 PMEKKIHARBRYOG-UHFFFAOYSA-N 446.374 0.872 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812726726 KEBXVIVYXIPCIV-UHFFFAOYSA-N 436.490 0.827 50 20 ICGD Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4cccc(Cl)c4)CC3)ncnc21 818360455 YAIWBUJHWFKOIB-UHFFFAOYSA-N 428.884 0.600 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912919593 PNVLQGNNTKCXBN-IRXDYDNUSA-N 440.566 0.619 50 20 ICGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 916486066 VYBXLWREMRXTOI-UHFFFAOYSA-N 437.434 0.412 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 916518979 UBJBWNMSMDPSRO-UHFFFAOYSA-N 432.525 0.563 50 20 ICGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)COc2ccccc2OCC)n[nH]c1C 917721476 ZXGBNTYCVUIUPM-UHFFFAOYSA-N 426.451 0.682 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 920032662 RGUXTYDSPCKSPG-VOCYLRNQSA-N 438.488 0.451 50 20 ICGD CN(CCCNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1330544037 AIYCUHOIHALYKA-UHFFFAOYSA-N 435.547 0.245 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779535819 CNTWBDOGFXLXSD-UYAYXHRUSA-N 430.343 0.974 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC)nn2)C1 1779957083 CLFVJIHJGMNACO-ZBQZNYHESA-N 426.901 0.867 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090290 ONNJSFGAOWNDBU-MDZRGWNJSA-N 445.402 0.483 50 20 ICGD CCC1(C(=O)N2CC[C@@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)COC1 1782948411 ZFUVXWBBRASORY-CPOKCXMASA-N 431.493 0.377 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783347316 GYPNENBXOAJARF-HWPZZCPQSA-N 429.271 0.505 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783348059 UCOCRGXWLRRFRS-BXWFABGCSA-N 439.354 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1783936683 ZCPQYPVLEYLTNI-NRFANRHFSA-N 428.493 0.151 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)NCc1ccccc1 1784053692 YHCUVRQRBIRFQL-HIUYALKQSA-N 449.935 0.438 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21)[C@@H](O)CCl 1784084138 LWZIXBQUYQKZNJ-HJWJTTGWSA-N 425.869 0.717 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)s1 1785454817 DTSUSXMYOHOXMT-BPUTZDHNSA-N 432.282 0.474 50 20 ICGD Nc1ccccc1/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786904934 AFZSVTNFLQSBFK-LDLMYSLFSA-N 449.316 0.255 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccoc1Cl 1789414710 JMVOWYDISKQZHA-JQFCIGGWSA-N 432.669 0.520 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)[C@H](F)Br 1789925183 BSOGWDMMUQPMJM-KBIXCLLPSA-N 449.195 0.762 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1790961440 JXLNYOOCNRAXGK-AJNGGQMLSA-N 446.342 0.982 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC1(F)F 1793484846 KTAIEPSOKVSXDX-KRXQYRFLSA-N 430.496 0.775 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)n1)C2 1796440075 CTUHPKMBLJISRK-YFXMYTFBSA-N 439.476 0.122 50 20 ICGD CSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798328790 BSTNJFHBHOBTFG-JLVBRIDZSA-N 441.318 0.000 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1800637889 JHLCLCIMUNYLIL-HLPPOEQASA-N 434.400 0.798 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1800640375 UTONAABZWMNMDS-NEBZKDRISA-N 426.311 0.762 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2 1800974168 NVYIBTHMLNRAFE-YYAJDYIMSA-N 441.981 0.950 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1804195083 SQVGIYZEJHTMTK-UAGQMJEPSA-N 446.932 0.352 50 20 ICGD Cc1noc(N)c1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976932 ZEQUYAOLWUJOKR-UHFFFAOYSA-N 426.282 0.404 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cnn1C 1813071622 VOBNSSKQPINVTD-DYESRHJHSA-N 441.536 0.816 50 20 ICGD COC(=O)C1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813072781 FKCPIJBCTRUTPE-LPHOPBHVSA-N 445.520 0.414 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)[nH]1 1815336734 BJRLNACDVKBAJH-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cs1 1815339888 RVCJRBXMRPQUKA-NSHDSACASA-N 443.319 0.401 50 20 ICGD O=C(Cc1cscn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354587 KBDYDLSPXGCPAY-CYBMUJFWSA-N 442.331 0.748 50 20 ICGD O=C(C[C@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1815768428 RBUZNBATGFMHPH-GHMZBOCLSA-N 441.286 0.785 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1)c1cccc(B(O)O)c1 1817479414 MLVIQSLAVUMQGB-KRWDZBQOSA-N 437.269 0.077 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793331 MDFBREQQXCEHDQ-NSHDSACASA-N 444.517 0.983 50 20 ICGD Cc1ncncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820697917 ZGBMPRJRXOZQBM-CQSZACIVSA-N 437.290 0.461 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)nc2cccnn12 1821261347 CSBJGGYACBEVHD-BXKDBHETSA-N 448.892 0.372 50 20 ICGD COC(=O)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827060470 KQEAVFPOSCUIDE-LJQANCHMSA-N 442.321 0.553 50 20 ICGD CN1CCC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1830180391 VCWSHKQMMHSJCS-RBBKRZOGSA-N 441.381 0.942 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cc1 1830219557 WYEUYRLGALLWHI-BXWFABGCSA-N 430.860 0.719 50 20 ICGD N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(Cl)c1 1830733972 XJXFPIVPFKUEGH-APWZRJJASA-N 442.299 0.881 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830766132 YQUUCLXXADSQBV-BXWFABGCSA-N 446.386 0.958 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1 1833255631 OHZBEPLLDHNSRX-VQTJNVASSA-N 433.597 0.977 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1834826556 QVOUMNOIXOPVJI-KRWDZBQOSA-N 443.298 0.097 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835071584 VHWBAYDXBKEYNR-OAHLLOKOSA-N 441.916 0.327 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1836059010 CDGYBOAVYMKCSO-KRWDZBQOSA-N 429.315 0.204 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710241 QDMRSZBEUKKHMG-XLIONFOSSA-N 438.601 0.827 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837717577 HNIMZKAXZJYELL-LBXVMSDZSA-N 428.602 0.845 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838432086 RNLMMHWXINOTDO-HNNXBMFYSA-N 425.602 0.973 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c(O)n1 1838672047 CAUKMXUXLQHYLI-DYVFJYSZSA-N 446.273 0.856 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839149443 GWPMULBRUDUHIN-JEBQAFNWSA-N 436.336 0.205 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839153288 FJFMSIYKPJQPNA-ROUUACIJSA-N 432.304 0.626 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839198570 IUHYUONISDTAAR-RDJZCZTQSA-N 447.305 0.418 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cc3ccncc3)CCO2)C1 1839660883 GTLAETZNRMNHSW-DJPFJPOOSA-N 439.940 0.970 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839967353 JXLIUWQNQZUAJE-WMLDXEAASA-N 444.330 0.298 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c1F 1840031345 NANMGZKTELDFTR-HWPZZCPQSA-N 433.278 0.711 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840154230 QDIIWUAMUNQDSA-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)C1 1841343306 HZMNJTDQFMWVJN-HVGZKEQUSA-N 443.504 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)C(=O)CC3)C2 1844264988 GXXDBXNEKZUEJF-UHFFFAOYSA-N 433.468 0.945 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Br)C2)cn2[nH]cnc(=O)c12 1845218473 HIRXPUJKTQGWSE-GFCCVEGCSA-N 426.246 0.839 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1846384921 ZKJWDRFSENVCOI-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846971307 UMYYQARCYFTHNB-GFCCVEGCSA-N 427.299 0.634 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9839607 YLBGYNVGUORTIS-UHFFFAOYSA-N 435.414 0.757 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 10290275 SSUHUOBLHUZZDX-UHFFFAOYSA-N 430.421 0.217 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OCC(N)=O 10900560 OTCOGMVHVCRUIM-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15633288 NCPRGILTTHYGLL-KRWDZBQOSA-N 445.497 0.720 50 20 ICGD Cn1c(N)c(C(=O)/C(C#N)=C/c2cc(Br)c3c(c2)OCO3)c(=O)n(C)c1=O 16881501 GGYZJHLHTUYNJT-YCRREMRBSA-N 433.218 0.947 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H](c1cccs1)N1CCOCC1 725873613 OYFIAORNJXGHOR-ZDUSSCGKSA-N 437.547 0.943 50 20 ICGD Cc1nn2cccnc2c1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216140 SJIMISXXPHMFRD-UHFFFAOYSA-N 429.506 0.731 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3ccccc3O)C2=O)cc1 730778024 IETMZBVDFYLZJL-NRFANRHFSA-N 426.429 0.694 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 733143143 BHKAGQVPQFVUOH-QAPCUYQASA-N 449.577 0.903 50 20 ICGD CCS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241524 HYYJIMOETOFOTR-UHFFFAOYSA-N 429.499 0.917 50 20 ICGD CC(=O)Nc1nc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cs1 735117335 RHEDEIMNKAAVAH-UHFFFAOYSA-N 439.523 0.190 50 20 ICGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 739059689 SWORGUXZIIIQOG-KRWDZBQOSA-N 445.501 0.340 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cn(CC(N)=O)nn3)cc2)n1 742516159 WYTLQGUFXKYTMZ-UHFFFAOYSA-N 440.489 0.537 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 744736015 MPGFYTISURBYBF-QGZVFWFLSA-N 427.461 0.790 50 20 ICGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 745107621 GEUSLJQXIXKNAM-QGZVFWFLSA-N 429.477 0.940 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1OC 756658446 JPSVQWIIARLBLF-UHFFFAOYSA-N 446.464 0.616 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757711856 UYCLIKQZMYYFTL-RYUDHWBXSA-N 432.524 0.351 50 20 ICGD Cc1ccc(C(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2)cc1 758047165 VXQGJIAOMBHYFY-CRAIPNDOSA-N 446.529 0.941 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 759718327 MVSSYDHEEHSCLF-BIMULSAOSA-N 429.271 0.580 50 20 ICGD CC(=O)N1C[C@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)Oc2ccccc21 762193441 JMHQAWHYWZWFGP-OAHLLOKOSA-N 432.458 0.499 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCOc1ccccc1 763028533 GUXRZBVJBYHLEY-CYBMUJFWSA-N 434.474 0.069 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1 763420285 PXCYTYVZHINMLH-UHFFFAOYSA-N 439.472 0.483 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763569783 BPOLCNBXKXBVIU-QGZVFWFLSA-N 443.412 0.554 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(F)cc1F 763681522 LFPJCMLDNFBTCD-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1 763832895 YZZQANAITPARBY-UHFFFAOYSA-N 434.474 0.831 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O 763919826 WIPUWFJLRCLBFW-UHFFFAOYSA-N 438.437 0.534 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Br)c1 763998309 OYAOITZICXONEQ-JTQLQIEISA-N 432.296 0.587 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764006776 URSZUJLJHGGIAZ-UHFFFAOYSA-N 437.416 0.531 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764124428 GYHRJOJDCISKSJ-UHFFFAOYSA-N 445.819 0.497 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 764299996 KOEITRNDFJABND-UHFFFAOYSA-N 430.486 0.987 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 764317655 MUTBMUZMFVTXRK-CYBMUJFWSA-N 437.472 0.761 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1S(=O)(=O)N(C)C 764370643 GZLKEUKHUQZKTI-UHFFFAOYSA-N 438.462 0.637 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 764394953 XLFNZXYGXWALOM-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 764401006 SIBTWIJCUYVTCW-CQSZACIVSA-N 434.493 0.805 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)COc1ccccc1O 765448109 YJNSZKYNCXEKLE-UHFFFAOYSA-N 427.461 0.442 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccccc3)ns2)n(C)c1=O 766637568 ULDLLQQMPDJPBL-UHFFFAOYSA-N 439.457 0.018 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2cccc(C)c2)cc1OC 768288797 LZQWGCOJHKGWIE-UHFFFAOYSA-N 437.474 0.517 50 20 ICGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=S)NCCSC)ccc1Cl 769767348 JMEANGYOQNWAAZ-UHFFFAOYSA-N 426.973 0.994 50 20 ICGD C=CC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 773251866 OELOLSIKSSZWJG-UHFFFAOYSA-N 446.485 0.949 50 20 ICGD Nc1ccccc1S(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 774412176 JGZFWMKWXGAZLF-UHFFFAOYSA-N 439.519 0.131 50 20 ICGD CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1C[C@@H](C)O[C@H](C)C1 777833112 RHZCVTXTAZCGOD-RBSFLKMASA-N 440.404 0.947 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC[C@@H]3CCO)nc2)CC1 779710766 KMMWTGKQEFYBBY-GDBMZVCRSA-N 426.543 0.195 50 20 ICGD O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccn(CCN2CCOCC2)n1 783291293 OEKHCKFUGWTDDI-UHFFFAOYSA-N 437.844 0.859 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNc3cc(C)nc(C)n3)cc2)CC1 783324399 LNEUNNDFZJQJGQ-UHFFFAOYSA-N 425.493 0.953 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1csc(N2CCOCC2)n1 784295236 UYZKSAVLCYQLLZ-GJZGRUSLSA-N 449.533 0.182 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C1CCN(c2ncccn2)CC1 784395024 RPGZSZLZBURRAI-QZTJIDSGSA-N 442.520 0.282 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cn1 784805995 YJBLDYHEBKXLQF-UHFFFAOYSA-N 429.525 0.940 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 790389207 LHGNMTMYTBAHEC-UHFFFAOYSA-N 433.552 0.762 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)cc1 794717726 ATBQCLWNNOHNBR-UHFFFAOYSA-N 447.448 0.881 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797070141 ISXHYNZCERTCMM-UHFFFAOYSA-N 449.420 0.360 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1 801108813 NSYLBMSAKXPBEF-MSOLQXFVSA-N 440.456 0.853 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)C(F)(F)F 806566097 XNGBARWULFXBFB-NSHDSACASA-N 432.446 0.539 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc3ccccc3cc2Cl)n(C)c1=O 810592655 OMGNNBNWZAUJBV-UHFFFAOYSA-N 441.835 0.097 50 20 ICGD CCOC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc1 815532329 FXSLPAVMPKTYLP-INIZCTEOSA-N 429.385 0.403 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccccn3)c2)ccn1 815569423 SQLRIPTUNUMNBX-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1 815751771 NTRFUUANZJOMCE-UHFFFAOYSA-N 437.478 0.439 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)CC)c2ccccc2c1=O 816828451 GIGKSQJHAAHKHG-CYBMUJFWSA-N 437.522 0.676 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 819657581 DOIVMFHCXKZIEO-SOUVJXGZSA-N 436.509 0.956 50 20 ICGD CCc1noc(C[C@]2(O)CCCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)n1 856672744 CUNHIMPHKGKYSW-LJQANCHMSA-N 432.437 0.371 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)CN1CCS(=O)(=O)CC1 915356127 AKYCQVWWKVYWNL-UHFFFAOYSA-N 447.513 0.522 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1CCCO1 915879522 JWLDPXAGDNYCBR-INIZCTEOSA-N 440.522 0.150 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)N1CCc2ccccc2C1 920757639 JPQSSDGJCLVYEY-UHFFFAOYSA-N 437.547 0.826 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1317736959 BVSBRVRCLRKEIK-ZOWXZIJZSA-N 433.534 0.956 50 20 ICGD COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc(NS(C)(=O)=O)c1OC 1347528693 MDBREYMESYVGMA-LBPRGKRZSA-N 435.524 0.181 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778605910 XXYCQTRMUMIQOS-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1778971512 PNCBPJCLUCBENE-CUZKIXHZSA-N 445.520 0.523 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1C 1779030671 SWZYSQZHAJALJU-OAQYLSRUSA-N 426.477 0.089 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1779032531 RNOUTZFYNSQNHV-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C(F)F)n1 1780312109 CGENMXCQXXSFLM-LJQANCHMSA-N 442.467 0.403 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1780620652 PQGAYTJSXYPQEF-KIXAIZAISA-N 429.521 0.859 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783329087 DORKLJNMIXXGRV-JOCHJYFZSA-N 432.521 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1783937353 GRTIHONAICMNIR-AUSIDOKSSA-N 428.533 0.919 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979711 NHFYWUBUWSAJKH-YSSFQJQWSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4cc[nH]c34)C[C@@H]21)c1cccc(B(O)O)c1 1786982822 DJWMBJSQUXMITG-YYWHXJBOSA-N 447.300 0.755 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1788703626 DZAPEYAVKUJCJC-YLXLXVFQSA-N 427.864 0.109 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)[C@H](F)Br 1789925495 FTHLAIBTTBINKH-MNXVOIDGSA-N 436.278 0.499 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3O)[C@H]2C1 1790900211 RAVIIOCYSSTJNA-LNLFQRSKSA-N 432.521 0.287 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793366162 HFXDQCJOEFMCKY-XHJNMGKDSA-N 439.372 0.288 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793630708 QPAKBCMFXNRUKL-QKGCVVFFSA-N 431.917 0.185 50 20 ICGD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878197 CVLAMYDPNZQPFZ-QMHWVQJVSA-N 447.960 0.991 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ncccc13)C2)c1cccc(B(O)O)c1 1795739042 MTKKICCEFDWYMP-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD CCN(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800164656 JWWFKLPBIRXNBF-YGADERNFSA-N 432.525 0.050 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(C(F)F)n1 1801011890 PXFIFOIHRRZGTF-FVCICTRLSA-N 442.467 0.163 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)[nH]1 1803811580 HHJAFELOMFIJAR-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD Cc1cc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)nn1C 1805710492 JEFBHIWUNCYJQD-UHFFFAOYSA-N 438.337 0.496 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359037 DGRPSJCMHSYUCR-JBACZVJFSA-N 437.305 0.650 50 20 ICGD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1807612960 AQFNFFKXQCAJCV-IACUBPJLSA-N 426.250 0.465 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295755 XEYFURSISJDESF-OXJNMPFZSA-N 440.504 0.825 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1)C(=O)O 1813030053 CWLVUDJOENUERH-JYYAWHABSA-N 426.901 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)C(C)(C)C)[C@@H]1c1cccnc1 1813067807 DUMAWTONQUEUKF-PWIZWCRZSA-N 433.553 0.867 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C)sc2C1 1813583248 ZRDXDZKWVZJERJ-IVWKQIGUSA-N 431.522 0.751 50 20 ICGD Cn1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)CC2)c1 1828925844 UQAVHRRSINDCRB-LJQANCHMSA-N 439.520 0.966 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1830534014 VBNSWJCRWYLGFH-HBUWYVDXSA-N 435.359 0.881 50 20 ICGD CSCC[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831888907 KJBHGFZJIBZYTK-UXHICEINSA-N 448.394 0.714 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1832286000 PIFBSUMMXGNUBN-RDTXWAMCSA-N 448.358 0.342 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122926 ZNZMSWFLVJQXTL-PBHICJAKSA-N 428.961 0.338 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CBr)CC2)CC1 1833265972 GTLANRPOICETIW-CYBMUJFWSA-N 447.374 0.945 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304427 HXYLUADRRDJNTF-FQEVSTJZSA-N 438.912 0.516 50 20 ICGD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(F)(F)F 1834819681 SPLBWHHXHSMDTL-UONOGXRCSA-N 447.248 0.541 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1837715628 BBPXXMZJQIBNJL-HXUWFJFHSA-N 447.568 0.879 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202167 WJBPYEUKZYAWOC-NVXWUHKLSA-N 447.305 0.716 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1839964343 OYJITKOIBMFHPF-GUYCJALGSA-N 429.315 0.962 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840036054 CWRBYDZJXODHBH-NHYWBVRUSA-N 439.328 0.044 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385925 ZGCTZLMGFIVQIZ-APWZRJJASA-N 428.917 0.374 50 20 ICGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842059796 JBMILFPXMAGFNL-MNOVXSKESA-N 439.310 0.980 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842854926 GZLNNLUGLUVYNR-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)[S@](=O)c1ccccc1 1843012087 BWYGBAMYMQCGKD-MKTHODDLSA-N 440.330 0.380 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014765 YUQPQSPCAVDJQU-UHFFFAOYSA-N 449.232 0.282 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C1)CC2 1843015002 XSPHARFHPVGGHS-IBGZPJMESA-N 448.328 0.997 50 20 ICGD COC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038526 OFIHOQPXNCIUQD-UHFFFAOYSA-N 445.520 0.489 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1846362243 TXCCRRCTEBGIHZ-ZIAGYGMSSA-N 433.933 0.983 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1cc(Br)c[nH]1 726381446 BVKNOFBNLFHPTK-UHFFFAOYSA-N 443.279 0.547 50 20 ICGD Cn1c(SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 726769231 JQQNMUGFEKGBGG-VIFPVBQESA-N 430.537 0.153 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)c1 727481249 AMGAVDPQNXZKQG-UHFFFAOYSA-N 448.501 0.614 50 20 ICGD Cc1cc(CN2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)on1 728959883 RPCJDXUPUSXSIK-UHFFFAOYSA-N 428.497 0.548 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2scnc2C)nc1 729662592 WPMUDADWYWPICL-UHFFFAOYSA-N 445.486 0.761 50 20 ICGD N#Cc1ccc([C@@H](NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(N)=O)cc1 734506714 DSCBNTPIMKJKTC-GOSISDBHSA-N 443.485 0.040 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(Br)c[nH]2)CC1 735117531 VXUXYHYCJPVVRB-UHFFFAOYSA-N 443.327 0.865 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)cc1OC 735868303 PXSSMIIPPBBKLS-HDICACEKSA-N 447.580 0.955 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 740812488 LEONUYVPOHWGNV-UHFFFAOYSA-N 438.428 0.593 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1cc(F)ccc1N1CCOCC1 740913029 LNPQRGDDFZAFCU-UHFFFAOYSA-N 435.481 0.984 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 744384043 DJYOPAPDDJWZTJ-UHFFFAOYSA-N 435.506 0.367 50 20 ICGD C[C@]1(c2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)NC(=O)NC1=O 751058778 KLUNMKXJNQUPCS-OAQYLSRUSA-N 434.412 0.707 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NNC(=O)CO 753444484 MJHAKJIZSWECCM-JTQLQIEISA-N 430.335 0.533 50 20 ICGD O=C(NNC(=O)c1ccoc1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755533297 IMMZDVIAWFGBNR-CYBMUJFWSA-N 442.475 0.212 50 20 ICGD COc1cccc(OC)c1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 757158080 HNCDUCCDABRULX-GOSISDBHSA-N 430.413 0.777 50 20 ICGD COc1cccc(OC)c1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 757158083 HNCDUCCDABRULX-SFHVURJKSA-N 430.413 0.777 50 20 ICGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 757755180 RVZSYOPOTPIFCQ-UHFFFAOYSA-N 427.464 0.514 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 760172619 MVEYYMUKTXHSOD-ACJLOTCBSA-N 447.854 0.971 50 20 ICGD COc1cc(OC)cc(OCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763538588 PAQQLSUMTSACFT-UHFFFAOYSA-N 427.421 0.703 50 20 ICGD Cc1ccnc(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)n1 763916690 JJWWVICXAGNIJG-UHFFFAOYSA-N 443.427 0.827 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 764002735 RDXKMLXFKXSKOK-ZETCQYMHSA-N 427.788 0.879 50 20 ICGD COc1cc(C(=O)NNC(=O)CSc2ccccc2O)cc(OC)c1OCC(N)=O 764047322 FVNCQDZFFCKEFN-UHFFFAOYSA-N 435.458 0.827 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764162588 CVETXACMFFOGCV-SFHVURJKSA-N 428.420 0.752 50 20 ICGD CSC[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635723 DMVFAAMEAXIXLL-OAHLLOKOSA-N 428.580 0.448 50 20 ICGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766659905 ILTAIXHHSLILIT-GOSISDBHSA-N 435.956 0.864 50 20 ICGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 767403503 MNEAOLPXZSREEX-OAHLLOKOSA-N 436.534 0.881 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 775460807 LOUKHYNCESDILM-RBUKOAKNSA-N 446.552 0.165 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc(OC)cn2)c1 781525770 XMIDJIUYIFCXAP-UHFFFAOYSA-N 435.506 0.994 50 20 ICGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)c1csc(N3CCOCC3)n1)OCO2 782898374 ZXCBZPGEOXRILO-UHFFFAOYSA-N 433.446 0.417 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 784004991 NLNPPQDFAKJZPF-UHFFFAOYSA-N 445.457 0.216 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 785614136 QLORCEXYXBLUNA-HXUWFJFHSA-N 440.500 0.204 50 20 ICGD Cn1nnc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 787438154 YDJZPAARMSNFLF-UHFFFAOYSA-N 433.432 0.113 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1C(N)=O 789732738 ULSRHVWGIVGZIE-KRWDZBQOSA-N 442.428 0.499 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnnn1C1CC1 790713976 FDVPXYBLVVUWGB-OAHLLOKOSA-N 427.513 0.612 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccc(F)cc1)C(F)(F)F 806568660 WDNCRLFZMRHPCE-NSHDSACASA-N 430.380 0.357 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccc3c(=O)[nH]ccc3c2)ccc1F 807080186 RCSYMRNURBNHDL-UHFFFAOYSA-N 447.448 0.999 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 838612962 KAOIMFAKMKUKDU-UHFFFAOYSA-N 434.416 0.823 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 912919630 QSQLKEFDZUHZOF-XHSDSOJGSA-N 446.504 0.457 50 20 ICGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1C 912921691 SCXDSQYPPODRHF-IAGOWNOFSA-N 440.566 0.619 50 20 ICGD CCN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 914748814 HRIUMRIDBNJBOJ-KRWDZBQOSA-N 444.513 0.795 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C)cc2)cc1 915774150 JSCNXFLFWXROTK-UHFFFAOYSA-N 449.485 0.676 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O 916262317 COIKCRSEAFSNIL-UHFFFAOYSA-N 442.863 0.961 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc2ccccc2cc1O 918781168 LCPJLPFUUVMBIN-CABCVRRESA-N 431.470 0.342 50 20 ICGD CC(C)CNC(=O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1339381684 PWGJBHMACPPGAK-UHFFFAOYSA-N 438.554 0.818 50 20 ICGD CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1c(C)nn(CCS(C)(=O)=O)c1C 1340464032 GLTLDWKUWIXHGA-UHFFFAOYSA-N 426.524 0.412 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1779032642 VVVPPSSNRUPHKO-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/C3CCCC3)CCO2)C1 1779036603 BPIDMSOIVDABED-BDNZGDGKSA-N 427.505 0.875 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1780096918 MLMGEQVUCWNJDS-RNODOKPDSA-N 434.449 0.558 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1780793979 PBDJQSKYAPCOTD-GMIGKAJZSA-N 434.306 0.812 50 20 ICGD C/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968662 PCDQHKGLBSMFAV-DWUINAILSA-N 429.521 0.739 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1782172855 OKIKRSUSHMTVMD-SNUQEOBHSA-N 428.873 0.269 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCC(O)CC1 1782327990 XETQCMWNSQVWKO-RQMZMBPPSA-N 444.337 0.045 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C23CC(C2)C3)C1 1782786758 ZNQVUNQTVYWGPC-YOWYSNAHSA-N 427.505 0.613 50 20 ICGD O=C(/C=C/c1cccc(O)c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783272862 QCYYAXIURZTYIR-NDEDVSTASA-N 436.273 0.229 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1783533820 JUEVPEQKCALNMT-SJKOYZFVSA-N 427.299 0.893 50 20 ICGD CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N(CC)CC 1783933779 YDXATYPCFZCCRN-LAUBAEHRSA-N 425.574 0.310 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937858 PDMZQSVVSLWXPV-QFIPXVFZSA-N 432.521 0.820 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(C)on3)C2)C1 1784362515 ZIPMCMUYQSNYLO-VQYZLWMVSA-N 442.476 0.489 50 20 ICGD Cc1cccc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786978697 LVJSMBDNZLQCFE-JIFXVDHUSA-N 449.316 0.377 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1c[nH]c2nccc-2c1 1787330482 DTJCBMRCMLKCAS-VDGAXYAQSA-N 448.288 0.101 50 20 ICGD Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1789223477 ZWWPJSPWGVPUTJ-LVGORTOPSA-N 430.274 0.669 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(O)c1 1791292230 JHJZLWAJMQWBOV-IEZWGBDMSA-N 432.521 0.667 50 20 ICGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793710859 SOOROWSWEUJBEF-IVWMJMPLSA-N 436.310 0.806 50 20 ICGD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn1 1794156168 TVNHRYDXIPLPCT-ACDBMABISA-N 437.305 0.655 50 20 ICGD Cc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737691 KEEZYZKOLXXUTN-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3cc[nH]c13)C2)c1cccc(B(O)O)c1 1795738885 JDDMZQHJOXTQTJ-XEMDLRDOSA-N 433.273 0.365 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799680226 HNRXQKFGGKIOCV-RGHULWKBSA-N 433.933 0.827 50 20 ICGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc(C)n1 1801011132 GWQHBHGWYYUGBK-UPHUGPLXSA-N 431.537 0.529 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801031335 LLMVAXSUZKXSLC-GUDRVLHUSA-N 444.248 0.286 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803452451 OUGUAIDHXNWOIL-UWJYYQICSA-N 432.484 0.813 50 20 ICGD Cc1onc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1C 1803888840 FOGINVACPAGDOI-RXVVDRJESA-N 448.288 1.000 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1CCOCC1 1806696553 BWVWDVDAYVWFNY-TZIWHRDSSA-N 437.305 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363497 OUNTYVJVYZTRME-UWJYYQICSA-N 433.277 0.047 50 20 ICGD COC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371392 UAMMNWAFCXSANY-DYESRHJHSA-N 439.277 0.034 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374245 GEZVIQCKUBPULC-UTKZUKDTSA-N 433.277 0.047 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810827372 YCSOIUSEQCSAOW-LAUBAEHRSA-N 449.272 0.480 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812869454 XEXPUOKSTOZPDM-TXUJKZCJSA-N 425.327 0.594 50 20 ICGD O=C(CCc1cnc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815824379 NDIOBVLNIDFVML-GOSISDBHSA-N 436.281 0.751 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674241 OTCCZHFOUBWVQC-HTQZYQBOSA-N 436.885 0.512 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471290 KXEAWPIDHCENSF-HNNXBMFYSA-N 438.253 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820248909 UHSAKBIHLAZECT-CQSZACIVSA-N 430.469 0.172 50 20 ICGD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826088306 CXBYYYVKNVHVTG-NSHDSACASA-N 449.537 0.484 50 20 ICGD Cn1ncnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056171 PRYOLJAJGJLSKF-GOSISDBHSA-N 425.298 0.042 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829813015 SPVKPOWZCIOOQE-XUWXXGDYSA-N 445.310 0.800 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1830357604 AWWHLTZQOZKCTK-HXUWFJFHSA-N 438.912 0.516 50 20 ICGD O=C(CCCc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738817 UUQABYSTAZPYJU-PXNSSMCTSA-N 425.913 0.460 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)CC1)[C@@H](O)CCl 1833310512 LNHRBPSEHZJPKI-INIZCTEOSA-N 432.352 0.708 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833502475 QTZKTCMNXODPGH-KKSFZXQISA-N 439.601 0.338 50 20 ICGD Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)s1 1835847683 NZGMVODLTBYNRB-HZMBPMFUSA-N 437.291 0.486 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869859 YENVCENESDHJLJ-CQSZACIVSA-N 442.904 0.757 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028943 REGRKKWZPCWHPI-DYVFJYSZSA-N 445.314 0.550 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@]3(C)CCCN3)CC2)CC1 1836385279 SZURQBROZLZDDO-JOCHJYFZSA-N 436.601 0.073 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565157 MWELLLWJZUDEBJ-GIBQZFQPSA-N 442.310 0.938 50 20 ICGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837759693 QKNYJQZXZVHBPM-SFHVURJKSA-N 447.319 0.799 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838765301 HTFPELWVWYEMOV-CQSZACIVSA-N 433.347 0.827 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839127680 UTKQQLSBKCCBSC-AOMKIAJQSA-N 443.504 0.111 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198584 JNNQAOSBSQUCDM-PBHICJAKSA-N 447.305 0.797 50 20 ICGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)c1ccccn1 1839199839 WQKZBAZMJAJOQF-JJRVBVJISA-N 445.289 0.228 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cc21 1839527826 SGMUMKWXYUTUEY-RXVVDRJESA-N 436.892 0.485 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1840150539 MTROQBNEUIDTRE-BEFAXECRSA-N 428.917 0.361 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366708 XZUZKQDMJLOMCL-KPZWWZAWSA-N 431.320 0.775 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cccn1 1840443123 XFAKOIHNNAKWCG-WWGRRREGSA-N 433.278 0.591 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnc(OCF)cn1)C2 1843415599 PRIJOISOSALDPV-DHRITJCHSA-N 443.439 0.733 50 20 ICGD Cn1ncc2c(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)cccc21 1843799989 PVNONRUIRXRQQA-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cn(C)nc1C(F)(F)F)C2 1846385338 RLOZLENKCVMDTL-UHFFFAOYSA-N 430.431 0.629 50 20 ICGD O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)[C@H]1CCS(=O)(=O)C1 10213944 UAYCJLYFMHWAHX-NSHDSACASA-N 438.531 0.309 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728381591 POADQZQZAKRSNZ-GFCCVEGCSA-N 431.536 0.268 50 20 ICGD C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2O1 729964571 GAJCTSSSEQURJS-GFCCVEGCSA-N 439.515 0.884 50 20 ICGD O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 731005645 PQTYONIAKTUOCT-UHFFFAOYSA-N 446.323 0.773 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 731622628 NSIJFMMJDXSAQO-IXDOHACOSA-N 432.502 0.429 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732264257 RRNBAFQHLOZMBN-OKILXGFUSA-N 427.509 0.797 50 20 ICGD Cn1cc(C(=O)NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cn1 735471109 ONJDGZDUBPNPBH-FQEVSTJZSA-N 446.467 0.695 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cccc(C(F)(F)F)n3)c2)CCN1 740137704 GNOCUDSNOXTFHD-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)N1CCOCC1 745995984 GPNPOALUMROABO-CQSZACIVSA-N 425.467 0.519 50 20 ICGD Cn1c(O)ncc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1=O 751534258 WGFDNSFCLSIBGF-UHFFFAOYSA-N 446.427 0.263 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccn(CCN3CCOCC3)n2)c1 756646292 MSILRTBVNGYTQV-UHFFFAOYSA-N 436.494 0.085 50 20 ICGD Cn1c(=O)oc2c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cccc21 756863088 FXVPZJYOVXQIBN-UHFFFAOYSA-N 444.469 0.991 50 20 ICGD C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)CNC(=O)c1cccs1 756931766 NHFYOHPDPRTVBE-LBPRGKRZSA-N 428.478 0.091 50 20 ICGD COC(=O)c1cccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 758901344 ZNTRDSVTVRUKAQ-QGZVFWFLSA-N 428.397 0.546 50 20 ICGD CCOC(=O)C[C@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760878661 MYXUCMLHKCPRTM-AWEZNQCLSA-N 442.542 0.233 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2F)ccc1S(=O)(=O)N(C)C 763568907 OYDSTZRJAGURBD-UHFFFAOYSA-N 438.437 0.484 50 20 ICGD N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916986 NFUJVUFNWMQTDT-UHFFFAOYSA-N 442.342 0.535 50 20 ICGD CSCCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763921651 NFSYIBZXTPTHHV-UHFFFAOYSA-N 425.474 0.968 50 20 ICGD Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002379 LOAHIIXNXOODFG-CQSZACIVSA-N 425.507 0.831 50 20 ICGD CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764163775 MGXOIBGJEPNMAB-KRWDZBQOSA-N 431.470 0.363 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)o1 764275472 LVLIPHNWICEUPL-UHFFFAOYSA-N 440.416 0.673 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764277816 HWTFPMVEXIOLEO-UHFFFAOYSA-N 432.408 0.533 50 20 ICGD CC(C)n1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 765118203 KFBBDWWUKOOLAN-UHFFFAOYSA-N 434.522 0.232 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 767370015 XFROMXOSOVALQB-UHFFFAOYSA-N 437.474 0.694 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)n[nH]2)cc1OC 768278284 XJVOIQBQAMPOPV-UHFFFAOYSA-N 425.467 0.183 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(F)cc2C(F)(F)F)n(C)c1=O 768288767 KLTZFYOOGOPEJF-UHFFFAOYSA-N 442.329 0.053 50 20 ICGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982292 GAFVDSCWNSKFAT-AAEUAGOBSA-N 448.528 0.738 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 773418379 TYYYBHAPLWAZQW-ODXCJYRJSA-N 437.497 0.501 50 20 ICGD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccco1 777777665 OAJTYPRNVIIIIP-GFCCVEGCSA-N 434.312 0.455 50 20 ICGD COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC=C(C#N)CC3)CC2)c1 779589516 JESXGDSQZSUJFF-UHFFFAOYSA-N 434.518 0.692 50 20 ICGD COc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CC3 782229128 PRVQPDQYXFHYHO-UHFFFAOYSA-N 449.471 0.585 50 20 ICGD C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@@H](C)O1 783996030 AYLRUCJFRWRAFB-HUUCEWRRSA-N 431.493 0.004 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 785612184 HMQZVMVTOCBNAJ-HXUWFJFHSA-N 448.545 0.678 50 20 ICGD NC(=O)c1ncccc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 786824588 BCPGGYJOUAVZRW-UHFFFAOYSA-N 442.439 0.957 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1 787426858 CMKXUYJKWISQHC-UHFFFAOYSA-N 429.886 0.737 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 787438748 DXRPSFXMRJPTRG-RGEXLXHISA-N 433.468 0.905 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2=O 794060850 PQZGXXJEZUSHCB-SPLOXXLWSA-N 445.476 0.561 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794593576 FJPGTPLGUHYONO-JTQLQIEISA-N 433.895 0.916 50 20 ICGD CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 797369442 XETVPDOPKHUZML-UHFFFAOYSA-N 441.444 0.966 50 20 ICGD CN(NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 798338698 DNXVTUCAIDVEAD-UHFFFAOYSA-N 441.510 0.583 50 20 ICGD COc1cc(C(=O)NNC(=O)NNC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC 807104037 USFIDQOJKOBYSQ-UHFFFAOYSA-N 442.432 0.958 50 20 ICGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 810387260 MVRDVHOPGGRGBB-UHFFFAOYSA-N 438.362 0.897 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 815752436 SAZGURQOWMEFGQ-UHFFFAOYSA-N 434.400 0.771 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 913339863 BLMURXCCDXRNMT-UHFFFAOYSA-N 435.458 0.229 50 20 ICGD COc1cc(C(=O)NNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)cc(OC)c1OC 916102307 YIABOAXRYMQGNV-UHFFFAOYSA-N 427.435 0.644 50 20 ICGD O=C1CCc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c(F)cc2N1 917727291 CLVAIRZPEHLZDU-UHFFFAOYSA-N 431.409 0.309 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 921183640 NSTBAKHVYVEXSU-UHFFFAOYSA-N 429.458 0.587 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 1777944552 RMAZZYDMUQIFNH-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1F 1779032266 HXVKHLCILLEDPR-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)c1cc(CO)on1 1780221371 PCRPCJJFZAMWLN-XJKCOSOUSA-N 434.262 0.985 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782172262 RLNOWFHLKGAADM-BXTJHSDWSA-N 441.912 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 1782213422 QLUJFXGDEIYEHG-BUDWNCPASA-N 436.578 0.748 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945802 BZDBOJRDQSPHMM-MLGOLLRUSA-N 425.265 0.115 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)c1 1787444174 QVNHYVCRSXTEKF-FBUXBERBSA-N 433.889 0.613 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787445608 KPQUZERXBMYZAJ-PEDHHIEDSA-N 437.896 0.386 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788816302 PIQCRJHTFHFOBH-PRLGWJNPSA-N 434.222 0.602 50 20 ICGD O=C(O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)ncn1 1789922337 KROBXSVRNZYLBB-VDUILEQBSA-N 445.245 0.459 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)C2)[C@H](O)CCl 1792983537 MANWJRFPAOJDFC-YRXGXENSSA-N 433.892 0.086 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CBr 1792987292 MSMPKZCVRMTFGQ-XGFWRYKXSA-N 438.388 0.983 50 20 ICGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)cc1 1795415083 CCEAIWTWQFMFQH-RMHZUWNSSA-N 432.901 0.757 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795513607 PJGYLHMKDUSCDD-GNTLTTKYSA-N 434.449 0.318 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1798440464 UMVVMFZEHPNFOW-CLLJXQQHSA-N 426.433 0.057 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800196382 VWROYSAILUTBRP-LAVAIGHBSA-N 431.537 0.223 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1800758082 OHWZWJOYXNFHGI-DYNIEEOBSA-N 431.262 0.769 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccc1F)C2 1801012152 IUJULADZJKDOAD-FAQVEIGNSA-N 434.512 0.721 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H]1CCc2nc[nH]c2C1 1801269526 SWMYMQBSARUZAV-ZNLHFFCSSA-N 429.290 0.795 50 20 ICGD COC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803681821 WARREFHPFZDVTQ-ZSZQSSIHSA-N 440.504 0.682 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804348154 FRHYEHULMSNLFX-KQLYMOGASA-N 449.316 0.437 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n[nH]1 1807362755 IXWZLSJEUMWTNK-LAUBAEHRSA-N 447.304 0.680 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1807364852 UGIYPSKCRPWTGN-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H](O)c3ccco3)CC2)C1 1809967194 BCIYNJSCAIYDJA-IBGZPJMESA-N 426.278 0.538 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCOC2)[C@@H]1c1cccnc1 1813556107 MCSPAZGPVOBSLN-GJYPPUQNSA-N 438.488 0.436 50 20 ICGD O=C(CC1(O)CCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813634309 HLLKELPOEDFGQA-GHTZIAJQSA-N 437.305 0.386 50 20 ICGD CC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814474995 HFMBXNPCDWGXBG-WMZOPIPTSA-N 441.297 0.310 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)CC1 1825283422 HEXGGKCFADNARJ-NSHDSACASA-N 437.522 0.381 50 20 ICGD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@@H](O)CCl)CC4)(C1)C2 1825549019 XMMSTDCUCCYGMA-WQMGZGHOSA-N 427.910 0.998 50 20 ICGD O=C(O)CSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055494 ZLRPOFDLFFSRHZ-GOSISDBHSA-N 448.350 0.418 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cccn2)CC1 1828926320 FVHZUXXDKXYXFV-LJQANCHMSA-N 439.520 0.815 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829582415 BHUUKNZVTHZRSY-KDOFPFPSSA-N 448.303 0.413 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1830533721 SSNWXXVYAICRPB-LBTNJELSSA-N 446.342 0.000 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1830538134 WOUXTIFLZIILMT-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830629747 FVRIAQVLMNTWPS-XHBSWPGZSA-N 425.295 0.540 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719759 JQLKXCXTKFWLTP-YLJYHZDGSA-N 427.929 0.620 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1833214423 AGLBLCMLULXQMD-LJQANCHMSA-N 445.004 0.474 50 20 ICGD COc1cccc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1833778132 VWZWRXFRVJOVSK-GOSISDBHSA-N 438.956 0.804 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834590994 DWKGWBVPAVVGGA-UGSOOPFHSA-N 443.294 0.741 50 20 ICGD N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CCC1 1834801472 NKSFBGCGKOAFPQ-UHFFFAOYSA-N 438.337 0.245 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834820127 NTYOAFBGGODXGV-YOEHRIQHSA-N 434.331 0.143 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834958509 CZFFWFJEQOXAMW-APWZRJJASA-N 430.860 0.261 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)CC)CC2)CC1 1835645028 NPGMRRYSSGWXLA-NVXWUHKLSA-N 432.949 0.640 50 20 ICGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCCCC1 1835939967 QWECODIEJBIRQL-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD Cc1cc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837299252 SWOWELSXKRNNBG-UHFFFAOYSA-N 439.321 0.929 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839200185 HISYKBAFJDIVSH-ZBFHGGJFSA-N 433.278 0.408 50 20 ICGD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839276676 URMQCFRAHOEXGQ-MAUKXSAKSA-N 445.831 0.404 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839962816 RJFNZZNWXYAPIN-RDTXWAMCSA-N 441.326 0.649 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1839967448 MKYYECSKAKWTOE-ZQIUZPCESA-N 444.330 0.469 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840037350 YMJPDVJHEBPCJI-XEZPLFJOSA-N 430.303 0.079 50 20 ICGD O=C(CCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)Nc1ccccc1 1841326548 WBMIGHUWOLVZOB-UHFFFAOYSA-N 449.316 0.992 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841876821 IZXSQFDBNSVIAQ-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1843416144 FQHJYHFERQQLKQ-WYMPLXKRSA-N 439.432 0.126 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838502 IRJIEEKTHSAMGD-LBPRGKRZSA-N 436.372 0.645 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265221 HBHAUAXRJTZKHS-HOTGVXAUSA-N 441.488 0.258 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2)NC(=O)NCc1ccccc1 1845038734 MQVBSOKMCRVSAZ-UHFFFAOYSA-N 439.520 0.502 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847437043 MKPRERKQKROIPK-QSGXVVIFSA-N 437.924 0.621 50 20 ICGD CCCn1c(CCC(=O)NNC(=O)c2cccnc2)nc2cc(S(N)(=O)=O)ccc21 27634924 LVEXQTVIDRNYHN-UHFFFAOYSA-N 430.490 0.883 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)OC(C)(C)C 725897941 MRAKRPPNXHIDBK-ZDUSSCGKSA-N 429.495 0.784 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)CNC(=O)c2ccco2)N2CCOCC2)cc1 726084798 USDJFUYWNJJYCP-QGZVFWFLSA-N 445.476 0.422 50 20 ICGD C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726450167 SPWNANFMWHTBMK-AWEZNQCLSA-N 427.596 0.841 50 20 ICGD COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728331751 DRFGDLUZRCNDAA-MRXNPFEDSA-N 431.357 0.748 50 20 ICGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)C1CCN(c2ncccn2)CC1 728890402 PEFWRPKVXMYRTG-UHFFFAOYSA-N 449.471 0.925 50 20 ICGD COCc1nc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cs1 735117321 QRGXRHVUTDGEBQ-UHFFFAOYSA-N 426.524 0.378 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 745141855 YKXHRXIWWFCJPZ-UHFFFAOYSA-N 444.469 0.616 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc3c(cnn3C)c2)CC1 747519277 XIHFBMFQAPOSSL-UHFFFAOYSA-N 430.494 0.056 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1C 750662271 COLOBSFRCIJYAU-LLVKDONJSA-N 427.458 0.151 50 20 ICGD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 755168349 YHLZBFNJKKHMRW-KRWDZBQOSA-N 439.520 0.855 50 20 ICGD Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756081928 ROCHGJOQJOQTFR-AAEUAGOBSA-N 443.323 0.864 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 756523228 BCXPPMGIHKZUAR-LLVKDONJSA-N 429.499 0.802 50 20 ICGD C[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2[N+](=O)[O-])C1 758036362 QSIVZQDNMSFYGW-VXGBXAGGSA-N 427.483 0.530 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 760750679 LYUFTXBRQAIQJQ-OCCSQVGLSA-N 439.469 0.364 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)cc1 763661951 RDIXUQJBGHWYGR-UHFFFAOYSA-N 444.444 0.571 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1=O 763666518 IANUFATZHAUIJB-UHFFFAOYSA-N 444.444 0.193 50 20 ICGD Cn1ccnc1-c1csc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 763682279 UJZIVWLJUQMFRI-UHFFFAOYSA-N 425.430 0.580 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763839326 JLGBLTWNZVBVPQ-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cc1 764004345 DOIMGJFRWKHZAR-UHFFFAOYSA-N 436.266 0.823 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2C1=O 764400821 IGWBOADBMUREIE-UHFFFAOYSA-N 428.426 0.496 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 764432304 DWRHVLUZIJHPCU-GFCCVEGCSA-N 441.444 0.791 50 20 ICGD C[S@@](=O)Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765731824 CGLNAOPBMZXRAQ-WJOKGBTCSA-N 442.541 0.784 50 20 ICGD C[S@](=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 770247288 SJAQZFAMMVMRDF-PMERELPUSA-N 428.514 0.643 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 771936864 DAUMTTPDYDMWTF-QMMMGPOBSA-N 426.278 0.761 50 20 ICGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1CCCS1(=O)=O 773184681 ZLOPUGSHPLMTJW-OAHLLOKOSA-N 431.898 0.704 50 20 ICGD Cc1oc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCC1 778436648 NGKXQYOFGUAZPR-UHFFFAOYSA-N 430.483 0.658 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1 780364627 DIXDAZGUMVISNS-UHFFFAOYSA-N 443.503 0.577 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 784003229 CCKWBKOMJKBTMJ-UHFFFAOYSA-N 445.379 0.600 50 20 ICGD O=C(NNc1cc(F)c(F)c(F)c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 785083260 KATWYZMRUJJSTF-UHFFFAOYSA-N 426.355 0.241 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)n1 787543310 HMIVIVVFMXLMFS-UHFFFAOYSA-N 442.476 0.067 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 790952912 UBXPYYCYHVLWOX-UHFFFAOYSA-N 440.298 0.333 50 20 ICGD C[S@](=O)C1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 799715210 NHCZMUIWLCPVGR-MHZLTWQESA-N 428.536 0.326 50 20 ICGD COc1ccc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 799816839 NFPQVCHQEQRCNY-UHFFFAOYSA-N 429.499 0.888 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 800597478 XMKLTVILWPVAQD-UHFFFAOYSA-N 427.461 0.957 50 20 ICGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)Nc1ccc2c(c1)OCO2 802100078 SWSYGOUTAQXEBM-MRXNPFEDSA-N 433.465 0.281 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)CC1 802936576 AOWDNVMYROZXDC-UHFFFAOYSA-N 436.494 0.023 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ocnc3C3CC3)CC2)cc1 809723999 CJYFYHHFJRLUBP-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)COc1ccc(Br)cc1 809941399 XHPDXUISAUHKFY-UHFFFAOYSA-N 443.279 0.349 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691836 CCSJZMXJUULWKS-NSHDSACASA-N 448.505 0.988 50 20 ICGD O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 914677241 SLYWCKPCKUTVBL-GHMZBOCLSA-N 432.311 0.356 50 20 ICGD COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1OCC(=O)NC(C)C 916041121 OMPIYFGRAOGQRV-OAHLLOKOSA-N 427.523 0.705 50 20 ICGD Cc1occc1C(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916736251 CYOLPRLVKIBRDY-UHFFFAOYSA-N 434.474 0.564 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c[nH]1 916739718 SNZJBMPRZZJJPS-UHFFFAOYSA-N 430.428 0.890 50 20 ICGD CCn1nc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)NC)cc2)c2ccccc2c1=O 1116599886 GMGKJWGDDKKCCC-UHFFFAOYSA-N 443.485 0.328 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)c1 1779034122 NCXVIXDFJIYOFM-QFIPXVFZSA-N 439.472 0.456 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1Cc3ccccc3C1)CCO2 1779035465 IFHYNQGJCHRKRM-DEOSSOPVSA-N 449.511 0.544 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2)[C@H](F)Br 1780770233 JGRIWPPNWLWDIN-PVXIVEMSSA-N 436.278 0.643 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325261 AVTWOTTWZASIKE-WBVHZDCISA-N 440.273 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c[nH]nc3c1)CCO2 1783934072 WJOAMUJWVURVOY-OAQYLSRUSA-N 428.493 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1783936086 CPCJDWDXTBBDDY-NRFANRHFSA-N 446.483 0.519 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392057 LTAPBZPUKQETAY-XHDPSFHLSA-N 432.344 0.900 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785250634 QAFLOOUMBMAQPF-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787082598 BWIILLZBRYGIIF-UHXUCMFUSA-N 446.273 0.680 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789116160 WUFOTXMVQSTBBY-DEQVHRJGSA-N 427.299 0.949 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791181942 ZZRYHYJOLAWYIU-ULQDDVLXSA-N 425.602 0.830 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791522824 HXUSYSOUFGDOEU-AJNGGQMLSA-N 428.331 0.821 50 20 ICGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870331 DFKOICSCNDOUAG-FMSGJZPZSA-N 435.388 0.091 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](N)c1ccccn1)C2 1796892110 IJWFFHPCAACKIG-NKPMETGSSA-N 437.504 0.854 50 20 ICGD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)cnn2c1 1798082147 OMZUXGVBWPTMGJ-MUJYYYPQSA-N 427.509 0.663 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1799265317 DPHDJNFDPGPCTH-IQOUGMIPSA-N 430.914 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2 1800970768 IXKIWOWIJZZLRL-RMEBNNNOSA-N 433.933 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1800977558 BCXIQXGFEZROPM-CXHZTBPHSA-N 448.907 0.460 50 20 ICGD Cc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1801327605 KLXLXGMWCWGCPV-KMSZAZNYSA-N 440.330 0.653 50 20 ICGD COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801706173 NOYBMCWDRHSHBP-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802688733 FYUDOMLCETUFSQ-MAUKXSAKSA-N 435.488 0.949 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1 1803715606 HGWLWTPQGFZGBW-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc[n+]([O-])c1 1804779208 IUABOIHABMDXQN-GHTZIAJQSA-N 446.272 0.028 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366834 OMQPPMJPJZFKLK-PBEJRMEISA-N 438.337 0.421 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807802569 OMMKRHHAAGZLPP-KBXCAEBGSA-N 449.475 0.140 50 20 ICGD CC(C)(C)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814887664 MAVLLBCHLBXCMZ-AWEZNQCLSA-N 430.339 0.437 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cccn1 1815347516 BOGGWQLTIWWPIE-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD O=C(CC1(O)CCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347888 VQAQCTSDKYWKJU-AWEZNQCLSA-N 429.307 0.354 50 20 ICGD Cc1noc(N)c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355008 YWVMQHQJCRBCCN-GFCCVEGCSA-N 441.278 0.241 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598577 FGRSSVOSYCXMHU-JQWIXIFHSA-N 426.861 0.207 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)N3CCN(C)CC3)sc2C1 1822697391 LWSBAOGFQZLREG-MJBXVCDLSA-N 444.001 0.945 50 20 ICGD CC[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825450147 FHWPIOUMFDTOBS-KLBPJQLPSA-N 431.356 0.951 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831643662 GDQUMNDJGRXITP-IFXJQAMLSA-N 426.901 0.963 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312920 MIERXONPLULBDO-CRAIPNDOSA-N 425.961 0.691 50 20 ICGD O=C(c1scnc1C1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833725424 GZURXPZYNUWLFO-FZKQIMNGSA-N 429.926 0.690 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836193872 NYIMVTQYCZAPJC-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719664 BHGGONWUMIUGPZ-KXBFYZLASA-N 434.917 0.201 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1837459521 HJGCXRYYWJDVRE-AOMKIAJQSA-N 443.504 0.111 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926853 YDADDNSUBFOASA-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838009834 VWUGDACOARQXSB-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n(C)n1 1838045431 ZKTYEEYEPBCAOK-YOEHRIQHSA-N 447.305 0.743 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)o1 1839152155 PIBQPRYVVQXCEU-SJORKVTESA-N 435.308 0.613 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc2c[nH]nc12 1839509968 PLCUSJVGPKIFIL-OXQOHEQNSA-N 436.896 0.541 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839584184 GYWAGODJEKQYAP-YWZLYKJASA-N 440.928 0.233 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839963732 UFCHMBJAQIRWDU-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840030324 IOTDZYWRYPDXCX-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)cc1 1840187252 OZDDUQSEKNWYQS-KXBFYZLASA-N 447.315 0.989 50 20 ICGD O=C(CSc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187923 FQBSDVIFGZADIU-INIZCTEOSA-N 435.333 0.829 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840483507 QKMZHQAOPKEENI-OALUTQOASA-N 446.331 0.901 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc(C)c1O 1840674157 FCZXFPPBZGCPFT-UZLBHIALSA-N 426.897 0.679 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C2 1846383976 ODKXWRIIZUDZKF-UHFFFAOYSA-N 449.552 0.740 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)c([N+](=O)[O-])c1 1847561935 MPBFRPASGMFCEB-YDHLFZDLSA-N 425.825 0.797 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccnc3)c2)C[C@H](C)O1 728852627 KANPDICZRWYANP-GJZGRUSLSA-N 432.502 0.883 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 729531868 WRRQVVDTHBSKMC-CABCVRRESA-N 446.485 0.397 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1C 730784000 ZCVAQZFVEKVCGI-XSFVSMFZSA-N 429.521 0.855 50 20 ICGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1C 731179185 WVQLTWPMCKTZIQ-UHFFFAOYSA-N 433.490 0.798 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cnccn3)CC2)c1 734244527 LWIPKGLTGGJIGP-UHFFFAOYSA-N 446.533 0.850 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 746101035 PWXMCNSHHUDQRQ-UHFFFAOYSA-N 448.501 0.098 50 20 ICGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 746592570 ZHWMULRPFWZGND-UHFFFAOYSA-N 431.430 0.746 50 20 ICGD Cc1cccc(-c2nnc(S)n2CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 747365214 ICFBFVFYQHUQQP-CYBMUJFWSA-N 438.535 0.450 50 20 ICGD CN(C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CCCCC1 748664412 JVCBGNNOVCOZTP-UHFFFAOYSA-N 439.538 0.672 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1OC 752020405 PSBGSXGMYPNRMN-RNODOKPDSA-N 433.465 0.758 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 755537149 XBBGVBPMZGLUMM-INIZCTEOSA-N 436.446 0.861 50 20 ICGD Cc1nc(-c2ccc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)n[nH]1 757074716 GEKRRIJVQLGNJK-KRWDZBQOSA-N 437.412 0.924 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 757777179 WCOWYHKDHHGBKG-CYBMUJFWSA-N 427.527 0.972 50 20 ICGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)C(=O)Nc1ccccn1 758840358 NOVMYCBMQWLDRG-UHFFFAOYSA-N 428.493 0.826 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763806934 JMXBJPSGMCAERF-UHFFFAOYSA-N 435.440 0.924 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)cc1 763831174 MPISLAONPPVNIZ-UHFFFAOYSA-N 448.501 0.908 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764024527 GYYZOLWHPKKLAX-UHFFFAOYSA-N 446.485 0.314 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)n[nH]2)cc1 764111607 OYIYQXYALIGZDE-UHFFFAOYSA-N 436.428 0.649 50 20 ICGD CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227106 MDNKBURTVVTBHE-SECBINFHSA-N 436.943 0.864 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C 764396783 BXSNAJFMBFJJOI-MRVPVSSYSA-N 437.678 0.943 50 20 ICGD C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C1 764423965 DXVJLBCJBRWQMP-CPUCHLNUSA-N 432.477 0.306 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n[nH]2)cc1 768268761 VKIYEBGBGLFXGL-UHFFFAOYSA-N 440.485 0.898 50 20 ICGD O=C(NNc1ccnc(Br)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 771537225 ITMNAYLSBVMAOS-SNVBAGLBSA-N 430.284 0.453 50 20 ICGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885009 RSIISSUWUHNLDB-UHFFFAOYSA-N 444.922 0.729 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 773070002 LGCIPYSAAQUFEE-UHFFFAOYSA-N 435.462 0.040 50 20 ICGD COCCC[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 777878706 JTCNCCXUDCGFIQ-MRXNPFEDSA-N 441.550 0.850 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cc([N+](=O)[O-])c2nsnc2c1 778224328 GUYSJUOLIWLPMN-UHFFFAOYSA-N 435.447 0.967 50 20 ICGD CC(=O)N(C)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783262249 CCJQHJUNHCVSPI-UHFFFAOYSA-N 448.505 0.833 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)n(-c2ccccn2)n1 783999675 IIFZMZDHOBHSPG-UHFFFAOYSA-N 427.465 0.273 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CCO1 784002988 NVTBYAQUMYTJOG-ZDUSSCGKSA-N 429.433 0.021 50 20 ICGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)n1 785068640 YNHZZNPSOWCELE-UHFFFAOYSA-N 446.402 0.859 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Br)c(F)cc1F 786414858 STVLPZNCEYVOSX-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 788897826 ZSRFWLVBVJBVOI-AWEZNQCLSA-N 439.538 0.672 50 20 ICGD Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 789733049 VCRZHBSADUSQNN-QGZVFWFLSA-N 426.477 0.810 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790070323 NYLOEVWAUILTBN-BLVKFPJESA-N 436.440 0.356 50 20 ICGD CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793042436 ODUCKBYACKYJJG-LSDHHAIUSA-N 426.495 0.599 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797003363 CBFPVGDFNROJTG-UHFFFAOYSA-N 432.364 0.653 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797450470 ZTZDMTIPOXOOHF-FQEVSTJZSA-N 433.486 0.911 50 20 ICGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 798346577 KPNMYKFYRYZJCL-HNNXBMFYSA-N 431.518 0.771 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799257551 MCJUDFDHNKHPRE-UHFFFAOYSA-N 442.428 0.605 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799258366 AAORHCWPGAMEOA-NSHDSACASA-N 430.392 0.734 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c1 799834627 GWBHDXBDGZGXMB-UHFFFAOYSA-N 436.494 0.505 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 802064518 SZJWDPUPQWKIRW-UHFFFAOYSA-N 442.494 0.879 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)Nc2cc(Cl)c(OC)cc2OC)C(=O)C1=O 802071692 GIMSRNFMLUIDCW-UHFFFAOYSA-N 427.845 0.201 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2ccnc(S(N)(=O)=O)c2)cc1Cl 802074991 FFMGIPHPODFKCL-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 803038442 SWOPAKFJOKTPPL-NSHDSACASA-N 428.349 0.974 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cn1C 808071175 PZXGVMKAGYWHRJ-UHFFFAOYSA-N 432.458 0.886 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 812429616 QRMMSLWAAMVUBJ-UHFFFAOYSA-N 436.490 0.814 50 20 ICGD CC(C)C(=O)Nc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccn1 815480398 UFPAGKMMBDHGSW-INIZCTEOSA-N 442.428 0.820 50 20 ICGD COc1nccnc1NNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815571308 ADZMXEXZMKEBSG-UHFFFAOYSA-N 430.400 0.685 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1OC1CCCC1 815691171 HKTVSJPHUXGJSG-CYBMUJFWSA-N 442.476 0.957 50 20 ICGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 816916191 YOMPYQQZXSSEGK-UHFFFAOYSA-N 425.492 0.386 50 20 ICGD CNC(=O)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 912776750 ZSMHMWUJLWYXLV-UHFFFAOYSA-N 430.486 0.831 50 20 ICGD COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 913228737 BUPSFGHHOCNRGR-FSEPTYSPSA-N 447.513 0.477 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 914444870 DIBIWOYXNWBPMF-GHMZBOCLSA-N 444.307 0.384 50 20 ICGD CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 915787636 JUKCBBPHRUNRQG-UHFFFAOYSA-N 446.894 0.434 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1C 916434574 KOAIIBHORYVMHG-HMMYKYKNSA-N 441.532 0.952 50 20 ICGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916726135 DIZLNCFTVNERMO-CYBMUJFWSA-N 434.474 0.644 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3ccc(F)cc3)n[nH]c2n1 917391948 PNTRNYVZUOPVSB-UHFFFAOYSA-N 447.500 0.426 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 1116084871 JWEGYBYSZRSRKN-CYBMUJFWSA-N 435.568 0.701 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2cncn2-c2ccccc2)C(=O)C1 1329340966 YQYRCYODDWHCIX-UHFFFAOYSA-N 442.476 0.713 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1778092602 KGJZQCYJBJOVIY-LUFCHBKHSA-N 443.464 0.331 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782284415 FXTDZGZHIMAYBY-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783538699 ZCTSVWFQEOTBQR-SJCJKPOMSA-N 427.299 0.728 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C4CC4)on3)[C@H]2C1 1783760603 GVCXMIYEZCOBED-MPGHIAIKSA-N 433.509 0.518 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783874359 DHSKFRJKZQEKGA-KKSFZXQISA-N 448.907 0.863 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1783931260 YBTNQPIQGDIHTM-IKGGRYGDSA-N 425.309 0.668 50 20 ICGD CCCc1onc(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934208 CDWNXJMLERKZID-OAQYLSRUSA-N 435.525 0.752 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936977 BUTMHQVSDCEVRL-HTAPYJJXSA-N 431.537 0.463 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1783966291 DETHBKWWKPLHBE-QRJUGERDSA-N 442.358 0.925 50 20 ICGD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)=Cc2ccccc2N1 1784091387 REXRIWVPORWMPN-CBVHJVASSA-N 447.919 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(Cl)cn3)[C@H]2C1 1785821931 XUDDQFLEGDTLJZ-QEJZJMRPSA-N 438.916 0.096 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnc(Cl)c1 1786038610 QNKNGDUAYKXBKQ-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD CN(C)C(=O)NCC(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140014 APNQPGOVNPZZAF-UHFFFAOYSA-N 438.293 0.385 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 1788609869 PUWMZJCGFSFUMS-KCTSRDHCSA-N 430.440 0.059 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3)[C@H]2C1 1791802747 LVYSNUKOBNHIKR-WMDQAJGNSA-N 447.561 0.996 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2)[C@H](O)CCl 1792977343 SXEMMKWQXMUHDY-CXHZTBPHSA-N 444.937 0.040 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccc(O)cc1 1795735957 LNKOUVHUOOVAHK-WMIGDMCZSA-N 438.289 0.079 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1796443867 OXQUGRSFUUCHPW-QBIXCPBJSA-N 443.529 0.585 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1797954759 GZIANKKLHLJZRT-YXPYIKCWSA-N 426.615 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798545134 CHIQVUZRJALUGR-NBMJBFSESA-N 440.924 0.905 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1800756323 ANYMQXDDTOWOKN-KOFHJDLBSA-N 436.310 0.804 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1800977824 YSMJSOWHRLXJMB-LGYSWQCXSA-N 427.929 0.231 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802969292 CHPSILWUALOVMX-RXVVDRJESA-N 425.294 0.508 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360825 DBJODOVUOUTKMU-XMSQKQJNSA-N 447.304 0.437 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364227 STCWNQXGBQETFT-JBACZVJFSA-N 436.321 0.175 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1 1813071745 WWVJHDMHOMBQOM-KDOFPFPSSA-N 431.522 0.626 50 20 ICGD C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814439617 SCYFIJFCHPPWDY-HLRDLLSLSA-N 445.524 0.633 50 20 ICGD O=C(Cc1cccnc1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340290 HVCFTSFWWPHRHQ-INIZCTEOSA-N 436.302 0.686 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1=COCCC1 1815361760 QYBVWVIBXOFKCC-OAHLLOKOSA-N 427.291 0.743 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598578 FGRSSVOSYCXMHU-PWSUYJOCSA-N 426.861 0.207 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817474297 CXHTXQLYXGRHMD-GFOMBABLSA-N 434.265 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(O)n1)CC2 1826080782 YKRLLFRDZSSRTQ-LLVKDONJSA-N 432.506 0.843 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088683 ZRNRYZRKPIUCIP-XETJZTBLSA-N 443.595 0.587 50 20 ICGD O=C1C[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1827055309 UCMSWRTVBVJSBK-UYAOXDASSA-N 441.337 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)CC3(O)CCC3)sc2C1 1827340607 FWBYSPKLDZHEIG-NSHDSACASA-N 444.517 0.673 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829057937 MOIFAJCGDZDUFM-MJGOQNOKSA-N 447.584 0.907 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(CO)on2)CC1 1829817576 XLCAOZMGRCYUCO-HXUWFJFHSA-N 441.293 0.394 50 20 ICGD O=C(COCc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723300 NBODBGSXAGQKIT-YLJYHZDGSA-N 426.897 0.259 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732924 COCKRJYUGHBEPW-CRAIPNDOSA-N 436.814 0.774 50 20 ICGD O=C(CCC1CCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831070139 YTVJLEVZPHEBBI-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831429709 PFKRSMSWEDTUPP-YWZLYKJASA-N 429.326 0.124 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1833815649 QHTGOJBKRPCTIZ-CZUORRHYSA-N 431.262 0.546 50 20 ICGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835629070 NPWIMASAIVVYDZ-HWPZZCPQSA-N 431.287 0.419 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1837711821 RQUJGEOBRGWANC-IBGZPJMESA-N 439.541 0.414 50 20 ICGD CO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395499 XNZJBBYVZZAVPZ-AWEZNQCLSA-N 433.509 0.332 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838540603 KULZBBJDIACELB-HNNXBMFYSA-N 426.901 0.636 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202722 NTMNWGLYSBFPTI-MISXGVKJSA-N 431.686 0.387 50 20 ICGD O=C(c1ccccc1-n1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839379524 CYYSOGTZFXVPCA-VQIMIIECSA-N 437.859 0.872 50 20 ICGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCCCC1 1840123209 STSOUPOQHSEYKO-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CCCCC1)CCO2 1840125602 ILDVOWKKSUVHFU-JOCHJYFZSA-N 438.569 0.786 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1840152271 CYDSCZZBYDOHRB-DEYYWGMASA-N 446.957 0.654 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncncc4c3)C2)C1 1840153153 GAXXYEYLAFAJSW-DYESRHJHSA-N 448.907 0.954 50 20 ICGD COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841571641 VDOMPAQAOARERR-SFTDATJTSA-N 434.301 0.996 50 20 ICGD O=C(CN1CCc2sccc2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010699 SRNOCEGHTQADIO-UHFFFAOYSA-N 439.346 0.303 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 1843384931 QXOAPCTYUQEAKD-KBPBESRZSA-N 433.933 0.983 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2cc(Cl)ccn2)C1 1844351856 UDEPRFBJFKEPLM-UHFFFAOYSA-N 444.879 0.630 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3ncsc3[nH]2)C1 1844394684 QFYAQZVOEPSBJK-UHFFFAOYSA-N 425.474 0.754 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C1 9930777 CNBSNJUBTYWNEB-DZGCQCFKSA-N 443.547 0.303 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)[C@H]1COc2ccccc2O1 116461205 ADKFEXPJJJIHOQ-LLVKDONJSA-N 431.879 0.667 50 20 ICGD CN1CCN(C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc2)CC1 727844330 KOMFCYZCOVQRQS-KRWDZBQOSA-N 428.493 0.329 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 729455980 KLNCVPUWDQNNSP-DGCLKSJQSA-N 436.494 0.745 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 730837390 XYTPRFNJFNQGAN-UHFFFAOYSA-N 448.482 0.844 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 731469899 CMEURVWLZUEOOI-UHFFFAOYSA-N 439.266 0.744 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)cc1C 731760906 HAJLNVXXDZPPQL-UHFFFAOYSA-N 425.511 0.292 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2ccccc2C#N)CC1 735117082 AMPHOFGORNLOBZ-UHFFFAOYSA-N 430.490 0.411 50 20 ICGD CS(=O)(=O)CCOCCNC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 745854007 BBGJDVMIMYGGME-UHFFFAOYSA-N 433.430 0.667 50 20 ICGD COCCn1cc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cn1 747790784 OMZKGHSQZGGLIZ-UHFFFAOYSA-N 446.530 0.422 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)N1CCCC1 748246954 IIJPPJOLTSDVNF-UHFFFAOYSA-N 444.460 0.135 50 20 ICGD CC(=O)[C@H]1CC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)=NN1c1ccccc1 750866518 ZOKZGIRSTRPZJL-QGZVFWFLSA-N 442.501 0.965 50 20 ICGD O=C(NNc1ccc(-c2ccccc2)nn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 754469743 HMTCVMACIPLRKO-CQSZACIVSA-N 428.474 0.752 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1C 755811168 IMZZFVWDDLUIHV-CYBMUJFWSA-N 430.494 0.699 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756100888 WVYPHNXFLAOBPV-AVVLXZEZSA-N 430.436 0.731 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cnco1)N(S(C)(=O)=O)CC2 760123431 KBPORIZUCYTXMO-ZDUSSCGKSA-N 438.462 0.402 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760301105 HGAFLOCGELIVEU-UHFFFAOYSA-N 428.380 0.179 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)CCO1 763569568 AGHDJOQEONDLQE-AUUYWEPGSA-N 440.456 0.838 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 763623757 GTIWRGDGEWUBAY-UHFFFAOYSA-N 435.488 0.794 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763663687 YADVUTXNFFHRBO-UHFFFAOYSA-N 428.380 0.580 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763812121 CWWFMNBUAIVVPA-UHFFFAOYSA-N 441.419 0.699 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 763998731 SLPLQMPLAVMLGH-HNNXBMFYSA-N 429.454 0.438 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 764002153 JOCWLCMZKXRRFA-LLVKDONJSA-N 428.898 0.461 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cc1 764004292 CAWAIDWBZAUVAY-UHFFFAOYSA-N 436.266 0.937 50 20 ICGD Cc1cccc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227351 NNCRGJAICMTHPT-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cn2)C[C@H](C)O1 764275284 LRISWPYPCNMJQH-KBPBESRZSA-N 443.460 0.566 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1OCc1ccncc1 764427848 CONBXTBDXVSWPA-QGZVFWFLSA-N 430.417 0.171 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 764431648 DVOPODHHMVBIAT-LLVKDONJSA-N 425.747 0.782 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc2c1=O 769151603 AYTLJMFKLMOEIF-QZTJIDSGSA-N 442.520 0.645 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 784001656 ADWMPQQRHDDUQI-UHFFFAOYSA-N 449.851 0.589 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n(C)c1=O 785183382 WEDQMVSJHKBHKC-RKDXNWHRSA-N 436.881 0.100 50 20 ICGD Cn1c(=O)ccc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc21 787541971 YUHOEVYRQDFORB-UHFFFAOYSA-N 439.384 0.612 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789813835 WNAZYEHGSZNRFR-YJBOKZPZSA-N 440.456 0.713 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)cc(OC)c1OC 790957595 WRPHVKYSWDEIJL-UHFFFAOYSA-N 442.428 0.849 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 794498283 SLUWOMZNPVTODP-KBPBESRZSA-N 445.542 0.222 50 20 ICGD CC1=C(C(=O)N2CCN(S(=O)(=O)CBr)CC2)[C@@H](C)n2ncnc2N1C 798989640 LNASPEYBHQQLOM-LLVKDONJSA-N 433.332 0.389 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1C 806567248 FJLJXLPXMOIKMA-CYBMUJFWSA-N 440.444 0.835 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812728946 GCCRNBSSWKLNHY-UHFFFAOYSA-N 442.519 0.876 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1OC 813821085 OORNGAGQFONSNT-LLVKDONJSA-N 437.482 0.464 50 20 ICGD O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 912638461 OYEFWJHCIARZRH-AWEZNQCLSA-N 431.561 0.317 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 913538402 NJCLCTWKWIGFKU-UHFFFAOYSA-N 429.502 0.859 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 914830877 FIPIUXRFHUYZKD-UHFFFAOYSA-N 436.896 0.971 50 20 ICGD COc1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915891200 KUKZUOINKHQLNH-UHFFFAOYSA-N 448.501 0.860 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCOCC1 916254014 BZVLWACBAXBVQG-KRWDZBQOSA-N 441.554 0.238 50 20 ICGD COc1cc(C(=O)NNC(=O)NCc2cccc(S(N)(=O)=O)c2)cc(OC)c1OC 916624146 UFYUAFQWTSYKEO-UHFFFAOYSA-N 438.462 0.504 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 919822275 JRKDCRQTWOKWNT-OAQYLSRUSA-N 428.420 0.991 50 20 ICGD CN(C)N(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@@H]1CCS(=O)(=O)C1 1321403041 AILZDHDJXVTQRG-GFCCVEGCSA-N 444.560 0.404 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840826 ZHGCPVBIVANBKC-GEEKGILVSA-N 428.327 0.825 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1779403433 ZXNHBJNHVXFNCB-JTOWHCCKSA-N 436.864 0.530 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061700 STXFTNVEFIGFAU-FQEVSTJZSA-N 445.552 0.385 50 20 ICGD O=C(c1cc(Cl)cc2nn[nH]c12)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780220539 GMUOJNKDIHLQKL-DYVFJYSZSA-N 428.276 0.655 50 20 ICGD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780235693 DOTONSYJEJMTAT-SCLBCKFNSA-N 441.824 0.367 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1781211145 KCSRKORHXMDUQL-IQUTYRLHSA-N 433.933 0.719 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781248163 SMTZPVASFOSCMU-ZUOKHONESA-N 448.432 0.098 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326328 NLWAGVZFEWHCOZ-GXTWGEPZSA-N 434.222 0.312 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1781351143 IARWJNJUEADEAG-DFHBCGBQSA-N 437.896 0.626 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781661270 SOIBWADLHCMWEH-BASYENTBSA-N 436.958 0.331 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1783934287 CLNHULZCIPVAPO-XMSQKQJNSA-N 430.505 0.193 50 20 ICGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(C(F)(F)F)n1 1784091235 LQEATOVPICODSR-DJIHRAIXSA-N 438.834 0.632 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784520419 OBQRAHHLDGFAHJ-VLJOUNFMSA-N 443.335 0.337 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218986 QQYDVCCXAWXRGD-XWUBHJNHSA-N 444.286 0.554 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924821 XQFAWKDYPIVLFY-LVGORTOPSA-N 430.274 0.669 50 20 ICGD C/C(=C\c1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791606469 GBCGHVHAMUAKCB-NMVXXISRSA-N 449.316 0.458 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2scnc2c1 1797496542 QVZNSZHZAJAWGG-YVWYUNDQSA-N 445.545 0.873 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)NC(=O)CO2 1798111853 CDKAJQRZZJWHCO-MUJYYYPQSA-N 443.504 0.642 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CCCC3)C2 1798440466 USCBCKGFFQUJQV-BTTYYORXSA-N 437.504 0.853 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(O)n2c1CCCC2 1798660863 DHMBCZJWDWEZGM-QDMKHBRRSA-N 432.525 0.550 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2)[C@H](F)Br 1799346102 BVQQKCBUIYXKHG-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800640294 POSCHTCUGNCIEM-NDPMZMCLSA-N 444.286 0.554 50 20 ICGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801013006 JWEDFQDXBIIYBY-FAQVEIGNSA-N 432.521 0.200 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3csnn3)C2)CC1 1806222967 IDJOLAWPXRIYSC-UHFFFAOYSA-N 429.506 0.695 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374848 KFAXMXBDJJJAOK-GHTZIAJQSA-N 447.304 0.735 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376066 RVINDXKFDMSLEB-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncn1 1808510144 FTCJFQDSHNWLCM-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@H]1c1cccnc1)C(=O)O 1808661559 MREYEENRLNDHEJ-GBOPCIDUSA-N 445.289 0.841 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncc(O)c1 1812909222 WIKDVXDUMGXMDQ-DYESRHJHSA-N 446.272 0.495 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1813072328 AQRHTCHVNWTOCY-JTSKRJEESA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1813075025 ZBVXUNAKXQFVMY-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD COC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815308500 OQZNBKBUSFMUMA-BLLLJJGKSA-N 429.481 0.997 50 20 ICGD CSCC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348370 LODDREDWMBQWQP-UKRRQHHQSA-N 449.363 0.163 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(O)n2)[nH]n1)c1cccc(B(O)O)c1 1817473501 WWEVFGOFYKMNQA-QGZVFWFLSA-N 435.249 0.810 50 20 ICGD Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)on1 1819795954 WGBGKSQANPMABU-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD CCN(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821621815 FHLFASMKCMUCCH-KSSFIOAISA-N 427.314 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCn1cncn1)CC2 1826092056 KHAOBMDBNDYIIH-GFCCVEGCSA-N 434.526 0.110 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826376290 BCVRPZJEGOKUPD-IBGZPJMESA-N 430.310 0.553 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830968042 FNYIOXLZTMQZRQ-DYVFJYSZSA-N 427.299 0.259 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1F 1833703995 WJVIYDPPXLCDJV-KRWDZBQOSA-N 447.305 0.723 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834057 IRFQEJYXDQMSKH-DLBZAZTESA-N 433.292 0.489 50 20 ICGD O=C(c1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834588374 NJFGWOJTDICHDY-CJNGLKHVSA-N 432.246 0.548 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1834823367 QGQJGJYFVMOYGI-INIZCTEOSA-N 447.717 0.985 50 20 ICGD CC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835116428 MSYVGYQHRQZVCE-QVWJKXSPSA-N 446.552 0.463 50 20 ICGD C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934076 MELPPLRJIKAOHR-QHCPKHFHSA-N 442.321 0.205 50 20 ICGD Cc1ncncc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1835974308 HACYJEFLRLLCPU-UHFFFAOYSA-N 445.568 0.343 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1838786204 LYLPDBYFRICMHL-QGZVFWFLSA-N 427.933 0.921 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839102987 ABIDZEIYNLNULV-UWVAXJGDSA-N 430.977 0.096 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839142720 XTGWZHWELWEUHL-QRWLVFNGSA-N 435.912 0.905 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1839963519 NFTIVOZYIOZSJD-CXAGYDPISA-N 429.315 0.664 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839966329 AZEYEAXAPGBMNX-HACGYAERSA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840034474 MYJMQSIOFQPYOI-ZBEGNZNMSA-N 445.270 0.776 50 20 ICGD COc1cc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1841937205 MHMHHKWAOAJMJL-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847501493 RAWOPWXOPSQLEG-UBHSHLNASA-N 438.326 0.863 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)s1 17247611 UGFULNJBWJGJPY-UHFFFAOYSA-N 431.517 0.519 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 725873308 XMFIPNYVLWKMTG-GFCCVEGCSA-N 430.339 0.972 50 20 ICGD O=C(NCC(=O)N1CCc2ccccc2C1)NNC(=O)c1csc(N2CCOCC2)n1 726619827 UVSGYBBWTQBKEF-UHFFFAOYSA-N 444.517 0.509 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1ccc[nH]1 726629918 YPCHYQPXDBJMIA-UHFFFAOYSA-N 433.490 0.089 50 20 ICGD O=C(CCc1nc(-c2ncccn2)no1)NNC(=O)c1csc(N2CCOCC2)n1 727722283 DSKVLBAEXKVTMU-UHFFFAOYSA-N 430.450 0.214 50 20 ICGD O=C(CSc1nnnn1C1CCCC1)NNC(=O)C1CCN(c2ncccn2)CC1 728889216 AUUDYMFINIUJAP-UHFFFAOYSA-N 431.526 0.734 50 20 ICGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 731468864 QDWCFOSVQPYWAY-ZDUSSCGKSA-N 431.536 0.303 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 731848225 CEFYTXVGEKHILR-AWEZNQCLSA-N 441.510 0.483 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 732050319 SBOUNWJHSHMCLG-LJQANCHMSA-N 432.521 0.543 50 20 ICGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 732471531 PCGQQCZQXNLEMV-MRXNPFEDSA-N 425.555 0.820 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 733211744 CZZDJTCRGKOSRU-QGZVFWFLSA-N 431.470 0.645 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(-n3cccn3)ccn2)CC1 736683009 LNYAGSJZODEFSA-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 744581453 POWGLBYDDKTSAW-UHFFFAOYSA-N 427.417 0.117 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c2ccccc2c1=O 746108571 ARWSBMDGRIQUPC-UHFFFAOYSA-N 441.469 0.548 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(OCC(F)(F)F)cc2)n(C)c1=O 748703698 ZQNYCQLKAMJKKP-UHFFFAOYSA-N 440.382 0.908 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCc3ccccc3)cc2)CCN1 749800998 RHSIMBPFAMRJDC-UHFFFAOYSA-N 430.486 0.201 50 20 ICGD CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 752125903 CADBICNGNHWCPH-HNNXBMFYSA-N 443.489 0.859 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccc(C(=O)N2CCOCC2)c1 755934324 RSWZKLVEICNCBA-UHFFFAOYSA-N 436.432 0.601 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 755960205 GSAALICTIJXFDT-GFCCVEGCSA-N 449.555 0.114 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1OC 756487863 OAWGPUHSBGDKJV-HNNXBMFYSA-N 442.538 0.259 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1NS(C)(=O)=O 756782342 PZTKWBFAQBONHB-UHFFFAOYSA-N 446.449 0.509 50 20 ICGD COc1ccc([C@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CCC(=O)N2C)cc1 758827167 IDPZWIFDHPWBHN-YJBOKZPZSA-N 425.445 0.786 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)Cc1cccnc1 761274558 SJMBOKOAPJWBIR-UHFFFAOYSA-N 428.492 0.404 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 763038573 BSOYLIDMRHSMSI-UHFFFAOYSA-N 449.470 0.728 50 20 ICGD O=C(NNC(=O)c1ccccc1F)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 763555649 IWLRQBJSNODPIM-UHFFFAOYSA-N 444.419 0.463 50 20 ICGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763562442 RHMHSZYESMHMDL-UHFFFAOYSA-N 443.435 0.496 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763717834 ANOULICMKKQSKG-UHFFFAOYSA-N 444.469 0.349 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)c1ccc(Br)s1 763821681 WCDFWYCMOBKZHM-UHFFFAOYSA-N 440.279 0.213 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763918453 DGJKZYPDXYRWJZ-UHFFFAOYSA-N 437.449 0.574 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)Cc1cccnc1 764268288 GGGGIWWGHLBZQN-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764285400 DMJKAPNPCTYKGX-UHFFFAOYSA-N 427.202 0.651 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 764286668 ZSJFKQBTHAZQBT-UHFFFAOYSA-N 440.439 0.862 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 764303756 XMOOWONXXRQHMX-UHFFFAOYSA-N 428.493 0.279 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 764509410 RUJJMPFEGRSEHH-CYBMUJFWSA-N 434.815 0.949 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCCC1=O 766636531 PJOHTMJJVWNIJG-FQEVSTJZSA-N 429.521 0.239 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 767268290 IDMYBRCCYPTNSC-NYHFZMIOSA-N 444.488 0.729 50 20 ICGD CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 769584837 JIQINMKUMJJNNY-LLVKDONJSA-N 435.485 0.229 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)nc21 770352700 ANYBKOQRLCVPNS-UHFFFAOYSA-N 425.858 0.822 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 771230026 HZMJSIVIXQEDHX-NRFANRHFSA-N 428.420 0.991 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1OC 771833849 UUYIGMQUMCVWAU-UHFFFAOYSA-N 446.485 0.854 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897661 KEPHHOUGWDLMKH-SNVBAGLBSA-N 444.922 0.532 50 20 ICGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 773782061 VVAARWPONUKOMY-UHFFFAOYSA-N 446.489 0.658 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CC(=O)NCC(F)(F)F)n[nH]2)cc1OC 779675020 OOVDFZRSIRDJTF-UHFFFAOYSA-N 429.355 0.924 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCS(=O)(=O)C1 783428641 XXMJONMNEGUVLB-FQEVSTJZSA-N 436.534 0.886 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc(OC)c1Br 784002912 MMOZMMDEMGRHLU-UHFFFAOYSA-N 443.254 0.175 50 20 ICGD C[C@@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O 802064195 IORMXGRZTPTXCA-NSHDSACASA-N 437.478 0.496 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)cc1Cl 802074210 FQMXWIXHWBZWLN-UHFFFAOYSA-N 433.812 0.965 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 806339782 IUYPATSJDDOJHX-OWCLPIDISA-N 428.530 0.659 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(I)c1 806979221 OKBOFFFQKGMFTJ-SNVBAGLBSA-N 449.245 0.737 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)cc(C(=O)OC)c1 815568591 NUPSCIZNPUQRRK-UHFFFAOYSA-N 431.401 0.734 50 20 ICGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 913416840 WNCZZDBTOTYZSD-PXAZEXFGSA-N 435.458 0.349 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 915188491 ROZYFGNHIMMHAT-UHFFFAOYSA-N 443.485 0.580 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCC1 916144699 JJMSPPOBDQBYDA-UHFFFAOYSA-N 445.461 0.423 50 20 ICGD CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885616 NHTBUOUHHDZBSR-CABCVRRESA-N 426.495 0.455 50 20 ICGD O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919886480 UFGJAIFJNYLHRN-ZWKOTPCHSA-N 444.513 0.545 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 1116735379 WDEFCQULVJTLIC-OAQYLSRUSA-N 426.517 0.958 50 20 ICGD CN1C(=O)C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 1318799693 TYDHUQADEWJQRI-KSSFIOAISA-N 439.424 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1sccc1F)CCO2 1779029569 UKDCBKZEHKKPTB-LJQANCHMSA-N 433.465 0.643 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc[nH]2)C1 1779594703 DTSATZVWPPERCG-DYESRHJHSA-N 426.477 0.455 50 20 ICGD CN1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)C1 1780576282 IPDSKEXGMDZCRD-JBYIUTFZSA-N 437.585 0.215 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1782171093 OCTOYTLZDDVNOE-ZBQZNYHESA-N 427.885 0.467 50 20 ICGD CC(C)n1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782212046 PUPIMXQXHZSGQS-IIBYNOLFSA-N 449.556 0.360 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783877018 ZOAQUWHUMRMXSG-VBKZILBWSA-N 436.896 0.664 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncoc3c1)CCO2 1783934272 DIGGDWSIZHCUFU-NRFANRHFSA-N 429.477 0.644 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785025663 PHDHIEBWPDSCAD-OAQYLSRUSA-N 436.484 0.651 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785523860 BRADQRSRXNPBTF-MAUKXSAKSA-N 429.832 0.706 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 1787508974 VIJNTYPEVBRPIR-GDJYOZILSA-N 438.488 0.809 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788529547 HBLHSJKLSMQLHH-DCAQKATOSA-N 445.232 0.857 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cc1 1789614232 IXPUVKWLTMIIMH-VDGAXYAQSA-N 437.500 0.901 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21 1791290897 RPWVGMPWYUCZGV-OWQGQXMQSA-N 438.475 0.931 50 20 ICGD CC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1794900752 ICKRAUMFKGEDPA-CLLJXQQHSA-N 425.449 0.176 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)C1 1795113242 PYRZSWRSUPWWHO-IPVBOJNNSA-N 431.327 0.950 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCCCC1 1795707235 OXRPCQBJRLNEAV-BJWYYQGGSA-N 428.537 0.813 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O 1796785538 ZFNJWCHCVUNXTJ-AIUQWGENSA-N 441.448 0.274 50 20 ICGD Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(C(F)F)n1 1797185770 YMYBMOIOIHGPED-QDMKHBRRSA-N 432.236 0.603 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2cncc12 1798189480 ZGCBDNKUYJENGA-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800372852 QAJUBEQFQDBWSU-FCQWJQKHSA-N 448.539 0.967 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1800977032 PHCLYTVECPMGLF-NEBZKDRISA-N 442.303 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(C)(C)C)c1)C2 1801009619 SNDGXAGJANYVKC-UPHUGPLXSA-N 445.564 0.955 50 20 ICGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803075888 ZHUYCWBZJDIFMR-DFQSSKMNSA-N 439.321 0.488 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(=O)cco1 1806125073 RVLZBHWVUWBKLC-DYESRHJHSA-N 447.256 0.348 50 20 ICGD O=C(Cc1cccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807618321 DVFFWHFGBIPMLM-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@H]1c1cccnc1 1808660636 BDDOLYVHSVKFMS-GBOPCIDUSA-N 444.305 0.371 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969473 WGFJXAQUQPMAFT-UHFFFAOYSA-N 444.337 0.943 50 20 ICGD C/C(=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1814098920 WKIIFDKCXUDCRG-HXJZBFLFSA-N 431.493 0.491 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814707019 IOBQZJPHFRSXPH-RYUDHWBXSA-N 445.904 0.845 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCBr)n[nH]1 1816782391 NFUQZKJFKXUELV-CMPLNLGQSA-N 429.319 0.780 50 20 ICGD COCCOCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817048322 FJLILSIDANYAPU-INIZCTEOSA-N 445.480 0.377 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(F)(F)C(=O)O)[nH]n1 1822413854 CJNRISWCASKEDJ-LBPRGKRZSA-N 444.439 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCn1cncn1)CC2 1826092057 KHAOBMDBNDYIIH-LBPRGKRZSA-N 434.526 0.110 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(=O)N(C)C)CC1 1826741369 CDBHVGQNCMRCJT-WORIPGKHSA-N 444.536 0.828 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829489937 NAHJJIIFXNIOQT-YVEFUNNKSA-N 431.829 0.512 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523376 ZNBWWLBVIIYMBA-CXAGYDPISA-N 433.292 0.454 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735408 HLLYQQZIIKPGPC-QFBILLFUSA-N 432.851 0.563 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1833508759 TYHLCQXUTJPFHB-SJKOYZFVSA-N 443.298 0.339 50 20 ICGD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834078192 WVSKSWMOCZVGCU-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD O=C(c1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834481858 SPPSVORIHNIFAW-CZUORRHYSA-N 434.237 0.981 50 20 ICGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834626908 QWQYDERTLYSHMN-QGZVFWFLSA-N 447.349 0.871 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823270 LXRKQTCRPSWZMX-KDOFPFPSSA-N 433.343 0.801 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835766205 XHMYPCMBUOCXAC-KPQBVPQESA-N 444.960 0.687 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccnc(Cl)n1 1835910124 QREHJASFWKGJHG-HNNXBMFYSA-N 430.336 0.915 50 20 ICGD O=C(c1cccc2cnccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837029796 DITFWMASIFKBHD-NQIIRXRSSA-N 433.892 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1 1838789916 JOZJXZMZHJDQCJ-HNAYVOBHSA-N 428.917 0.788 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154366 MEGZKTBEDPCBKE-DOPJRALCSA-N 436.336 0.300 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839355238 RSRSCWOLZSYXRP-KBXCAEBGSA-N 445.831 0.404 50 20 ICGD COc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)c1 1839406824 PDCWSFQSKNSKOP-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743571 YUBNSABFWRSDCK-ZXSWEOGUSA-N 435.427 0.975 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840153425 OJUYZOCFXGKBCN-BEFAXECRSA-N 426.901 0.153 50 20 ICGD Cc1cn(CC(=O)N2CC3(CCCN3C(=O)[C@H](C)CBr)C2)c(=O)nc1O 1841290075 LJFKYPZSERGGSE-LLVKDONJSA-N 427.299 0.492 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCc2cc(F)ccn2)C1 1842010722 REKHPCOHSKUEDS-UHFFFAOYSA-N 426.452 0.669 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1843346453 JBGFLFAGFOCOND-KBPBESRZSA-N 431.917 0.425 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1 1844264607 OYQSFTYEHKMNGG-UHFFFAOYSA-N 426.481 0.162 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC13CN(C(=O)[C@H](O)CCl)C3)C2 1845861626 UUNSNCIAKGNSDW-UKRRQHHQSA-N 438.912 0.425 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845918614 QMEAJMWOFATCKB-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556118 DBIYWBQBOGAQSZ-UVPYHEFZSA-N 445.944 0.812 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848065189 CWIOBQWSHLUUFT-FDFHNCONSA-N 433.317 0.239 50 20 ICGD CC(=O)N1C[C@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)Oc2ccccc21 12701918 NDCBRFJQIAJHSH-MRXNPFEDSA-N 445.501 0.863 50 20 ICGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 14327299 ZYIVLMDBVCHTBP-RFAUZJTJSA-N 425.850 0.977 50 20 ICGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 27068355 MVCWBHOJISAZDE-QGZVFWFLSA-N 444.469 0.568 50 20 ICGD CC(C)c1ccccc1NC(=S)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 727174402 VQQURHRMZAKNDA-UHFFFAOYSA-N 443.533 0.965 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc(-c4cccnc4)no3)cc2)CCN1 728076156 FWKRNUMWEZGPHT-UHFFFAOYSA-N 443.445 0.009 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 728954836 OVJFIVSTNUAXRP-UHFFFAOYSA-N 438.469 0.679 50 20 ICGD Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729273996 FQODQUSHCZIANE-LLVKDONJSA-N 427.914 0.770 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732261127 ATSHKOXLSAYYAI-CHWSQXEVSA-N 445.524 0.024 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nccnc1Cl 734260389 KTKKPKJKNUBVDY-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Br)s1 742480230 LXVAGJOOPJNVBO-YNVKYCFSSA-N 442.291 0.824 50 20 ICGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(Br)c2)C1 743594926 XTJCCKGLTLMIGW-ZDUSSCGKSA-N 426.315 0.981 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 744542846 QXJFGFZHRAYBFQ-UHFFFAOYSA-N 442.815 0.941 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 744578997 APAWYUINVPGGTC-UHFFFAOYSA-N 428.357 0.816 50 20 ICGD Cc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)cc1 745852074 LCQVMRMHENITCX-KRWDZBQOSA-N 434.456 0.991 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 746550549 OVWSZHJXXUUQAR-AWEZNQCLSA-N 435.440 0.849 50 20 ICGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 749772706 NIRTXJGMSVCWEX-GWCFXTLKSA-N 449.327 0.581 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 751207544 YXTUOYQWPAYLRU-VBKZILBWSA-N 446.460 0.887 50 20 ICGD Cc1cc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O 753770617 RZPOYAOJJMQERK-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753947325 CCNMUMOZTBZVNE-HOCLYGCPSA-N 440.522 0.609 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(-c3ncccn3)c2)c1 756756961 AXVOTMLBICRNJN-UHFFFAOYSA-N 430.450 0.379 50 20 ICGD CN(C)CCn1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 756766785 YZURUUZTIXFUNG-UHFFFAOYSA-N 428.541 0.810 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(I)ccc1F 758047196 WCXBLQBZQIGCQA-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccccn1 758832287 WMGYUWVBZGCMKV-ZDUSSCGKSA-N 449.464 0.408 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 760342720 OKRIYFCXDCYWQO-UHFFFAOYSA-N 434.540 0.390 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1OC 763541809 BJFRQCJSYMRSKV-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 763571883 PKXFMOFXLBPCPV-INIZCTEOSA-N 442.819 0.847 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 763658410 XTEATECCJSKWAN-NSHDSACASA-N 428.401 0.580 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 763719137 VOHIJDDSNBENPW-UHFFFAOYSA-N 449.489 0.519 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 763758620 SMNQHIPUIJMAQW-UHFFFAOYSA-N 427.461 0.863 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 763823227 CFACJTWZBVPCLQ-YESZJQIVSA-N 441.488 0.325 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc(-n2ccnn2)c1 763943240 AKICMYRPHCBXTJ-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 763999321 VLZKIEJYCSXDIQ-SSDOTTSWSA-N 425.797 0.462 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc2)CC1 764198524 GQLFZURPWYAOCG-UHFFFAOYSA-N 431.537 0.915 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 764204006 GYBOJMGLPLXMIQ-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764204020 NQYUNTSINKZPCX-UHFFFAOYSA-N 448.501 0.920 50 20 ICGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc2O1 764292986 JUUPXTKYODHWNO-KRWDZBQOSA-N 442.476 0.199 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 764363586 SFMPSTWSNXYYCL-UHFFFAOYSA-N 440.382 0.675 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cc2)CCN1 764378827 OGZNOIOGDLRJNE-UHFFFAOYSA-N 447.398 0.381 50 20 ICGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766659506 BRSZHKUMWVCMGH-OAQYLSRUSA-N 435.956 0.864 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 766662808 GMHYKWKRCHDESA-UHFFFAOYSA-N 435.872 0.410 50 20 ICGD CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 768989350 PUZDKXJKSXLOKI-UHFFFAOYSA-N 446.489 0.971 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)n1 770644667 MLHYQXHGFABLPH-UHFFFAOYSA-N 444.469 0.759 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 772890299 XSHVDEJKGIZZOK-UHFFFAOYSA-N 440.884 0.740 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 772992051 ZUAKNEQKBHEWJH-GFCCVEGCSA-N 426.882 0.970 50 20 ICGD COC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 777257277 XCKYWMAWPHIIJW-LBPRGKRZSA-N 430.465 0.744 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NNC(=O)c1ccc(-n2cnnn2)cc1 781782959 WQKAIBDCJIIKGW-LJQANCHMSA-N 436.476 0.373 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)nc(C)n1 783324483 MKIUEKXOAICHLO-UHFFFAOYSA-N 425.493 0.492 50 20 ICGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1)O[C@@H](C)C2 784004814 VQGGDHYEXFJWCI-NSHDSACASA-N 446.485 0.986 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ccccc1 784767179 HAEKNCOAICPAFG-UHFFFAOYSA-N 434.474 0.798 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 784833942 UXTCSLZAGMTWGG-UHFFFAOYSA-N 447.517 0.873 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCNC1=O 787545530 UWJATQVAVYIDDM-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1OC 792172729 OATQYIPSZMLNOG-MRXNPFEDSA-N 446.412 0.857 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 792878582 ADFYHSQGYNNCJM-INIZCTEOSA-N 427.417 0.278 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCc2nnc(C)s2)c1 794740230 FIVBSSQFWLEKGU-UHFFFAOYSA-N 441.535 0.855 50 20 ICGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 795313326 DOUQCHWQLBAXQU-QGZVFWFLSA-N 447.517 0.600 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 796990350 QZYVUXBRSVUJLF-UHFFFAOYSA-N 445.501 0.828 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccnc2)c1 799833781 CSOJOVDQDQQMRH-UHFFFAOYSA-N 433.490 0.868 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802065449 AMGGXELPQRBPMH-HNNXBMFYSA-N 446.551 0.837 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 802720505 IDMAAUAIBHJVSC-UHFFFAOYSA-N 429.432 0.630 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 806545095 NRVQXHNCABQACY-UHFFFAOYSA-N 444.466 0.604 50 20 ICGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 807380106 PIGATCMFXPVWIU-UHFFFAOYSA-N 448.343 0.106 50 20 ICGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)c2ccc(Br)cc2C1=O 807381692 FCKSWGJPYVMKJV-JTQLQIEISA-N 438.282 0.422 50 20 ICGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 810384067 AAXLHTZTBWYBIZ-UHFFFAOYSA-N 434.430 0.960 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1F 813033491 VZXRTZXGLNVVHI-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 813592788 SGXBPYLIMNJEGY-RISCZKNCSA-N 433.442 0.397 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 815567120 PKKFWMVRJANEQU-UHFFFAOYSA-N 433.421 0.402 50 20 ICGD O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N1CC[C@H](B(O)O)C1 864231701 QWGNSCQWJXVQTM-AWEZNQCLSA-N 428.111 0.781 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 897556772 XLWPMNHQRHPKBZ-UHFFFAOYSA-N 430.856 0.859 50 20 ICGD O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155905 CAJVFUYOPCEFTD-UHFFFAOYSA-N 429.440 0.935 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN(C)c2ncnc3[nH]cnc23)c2ccccc2c1=O 917915477 XTYDIQDNCRBTCS-UHFFFAOYSA-N 435.448 0.541 50 20 ICGD C[C@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)n[nH]c21 1777854227 KEQWTUPCYMKIRW-QKKBWIMNSA-N 432.525 0.276 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)s3)CCO2)C1 1779028280 HZLUWPKEBGLADH-LJQANCHMSA-N 433.465 0.643 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779245152 SHSVZTBDHUUMFR-AUUYWEPGSA-N 438.605 0.685 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CCO2)C1 1781218119 DWORJDXQHCDBQJ-CRAIPNDOSA-N 435.974 0.505 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)c1OC 1781821637 OJFWXAQNWHQMAZ-YJYMSZOUSA-N 428.869 0.453 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1782003931 YSJAWHNRZXLLNU-CJBNDPTMSA-N 427.299 0.681 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1782170805 ZBUCUFULHOMYHB-DBXWQHBBSA-N 445.004 0.392 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1)N1CCN(C)CC1 1782219345 TVOOBMNVFNDQQX-QMTMVMCOSA-N 435.396 0.940 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccn1 1784652331 QVYSRTVAUIUZQJ-OYHNWAKOSA-N 438.488 0.327 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788614797 ANNWEBFWANXXRW-MRBYEJRBSA-N 439.351 0.141 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)n1 1788731330 HVLUZCJAVCRRFO-YXWQFLTLSA-N 428.892 0.801 50 20 ICGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)C(F)(F)F 1789921509 NCBBZHZEGDBFGG-CDTLJBMASA-N 435.212 0.970 50 20 ICGD CN(C)c1c(F)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1F 1792980717 VFGJMPJZWJEQTD-NOXHYTERSA-N 431.867 0.834 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1793369340 DBLVLLNCNOUWGE-VBTGVMJWSA-N 429.366 0.493 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439040 AKXNKWLIOZTVPS-RVMXOQNASA-N 438.326 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3ncccc3n1)C2 1798440510 NAWOWQBHTBHIOF-BTTYYORXSA-N 434.460 0.293 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800640301 QAVKXDHOWMMOQG-RKQHYHRCSA-N 439.372 0.430 50 20 ICGD Cn1cccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805352363 UNFQELWLNOEDBR-NQIIRXRSSA-N 432.289 0.733 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nccs2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365842 WMMMACDTHDMMFI-WMZOPIPTSA-N 436.302 0.851 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(Cl)ncn3)CC2)C1 1809970978 FMKAZILUPCZGTN-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD O=C(c1ccc2nn[nH]c2c1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980821 WRNASSHUGRDIOQ-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810310054 UFZJIRFMMBIYPS-OFQRWUPVSA-N 427.958 0.171 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCOC1 1823466083 POCNFOONUVPPFW-QAPCUYQASA-N 426.282 0.822 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)COc3cccnn3)sc2C1 1826765279 LBOWJWPRFZIZEB-GFCCVEGCSA-N 447.521 0.297 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1828783062 FTBROCHDDOWKOW-PKHCJMHPSA-N 448.394 0.758 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1C 1830953357 CGJHQNVJZWJRRB-NVXWUHKLSA-N 447.305 0.418 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832245795 YDQVWDYANMNWLY-HXUWFJFHSA-N 439.325 0.282 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1ccc[nH]1 1832879038 MZZFJAFYYHKPSR-CRAIPNDOSA-N 430.864 0.125 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704918 ABOIHCYYYNGROI-UHFFFAOYSA-N 438.649 0.249 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834823136 KJKBWWOLVUPQKZ-SFHVURJKSA-N 442.310 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccncc3O)CC2)CC1 1835877530 XSXLNKAPJIWKGI-UHFFFAOYSA-N 446.552 0.345 50 20 ICGD COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)nn1 1836054541 UQIRPUYMUXEIRQ-MRXNPFEDSA-N 425.917 0.270 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839068004 OHMSJTVJBIQALZ-TXPKVOOTSA-N 446.386 0.958 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839962900 UXPXOEXADOQKLV-WBMJQRKESA-N 430.303 0.059 50 20 ICGD CC(C)COc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1843430170 IRGSQPPYVAJJMY-UHFFFAOYSA-N 437.305 0.927 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1 1844263180 BRYNFBWZYSUZJL-SFHVURJKSA-N 439.472 0.244 50 20 ICGD C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 10414528 DIPRJLZNPCJCLM-AREMUKBSSA-N 429.907 0.941 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 14172116 WQTRFGLBIRNIOX-UHFFFAOYSA-N 447.897 0.324 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 726597767 ZLSNCNCATXTKGE-UHFFFAOYSA-N 446.895 0.426 50 20 ICGD O=C(C[C@H](C(=O)NN=Cc1ccccc1O)N1CCOCC1)NN=Cc1ccccc1O 741767250 SWRJKNZGBRJSEX-GOSISDBHSA-N 439.472 0.789 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)cc1 743602998 UTZJDDLNKCVBAL-UHFFFAOYSA-N 447.539 0.145 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)c1C 746326182 NTADRTYHFBPODW-OAHLLOKOSA-N 435.506 0.775 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 751142285 NCPJGBLWVJTDPU-UHFFFAOYSA-N 449.514 0.753 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 753564283 DPJDXEKLMUDMDD-GFCCVEGCSA-N 425.463 0.956 50 20 ICGD Cc1cc(I)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 755352844 AUISJCFUOXJDPY-MRVPVSSYSA-N 440.263 0.690 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 756310487 DOQHJZKMDRTMMY-UHFFFAOYSA-N 442.524 0.336 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c(OC)c1 757782155 YCKVNHAKSSKTEB-UHFFFAOYSA-N 438.462 0.377 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1I 758042945 BXIBHMKKIIZOFM-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718418 LLNPJPSMOLDHJX-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD COCc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763738350 TWSHSZHXCUEQQJ-UHFFFAOYSA-N 448.501 0.548 50 20 ICGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 763745995 NEQHOJXJCSTKSV-UHFFFAOYSA-N 433.472 0.865 50 20 ICGD CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764003069 XNFKTEOBOZBRPI-LLVKDONJSA-N 425.463 0.163 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)n[nH]2)cc1 764112093 VMAZVATXGBTHPQ-UHFFFAOYSA-N 431.416 0.761 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 764182357 LUIBUUIFXRZLBI-UHFFFAOYSA-N 427.442 0.399 50 20 ICGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 764203339 KZPKPKJOMFBWLF-UHFFFAOYSA-N 430.509 0.662 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 764260390 XFKZAOJCBKRLER-UHFFFAOYSA-N 436.371 0.942 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 764277217 JELDMBWGBFRLTE-UHFFFAOYSA-N 426.429 0.793 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 764344546 YUVUZCDMUPNKNB-QGZVFWFLSA-N 445.501 0.202 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 764393499 PKENPWBYMVQVQO-UHFFFAOYSA-N 427.446 0.549 50 20 ICGD Cn1cc(C=NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O 764827414 NAKZADBMYCMERN-UHFFFAOYSA-N 432.912 0.005 50 20 ICGD C[C@H](O)C(=O)N1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 766022260 IJCHCAGMBOTGRY-HNNXBMFYSA-N 425.489 0.709 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3cc(Br)cn3)CC2)cc1 766642218 OYJZKCIWXQMVCY-UHFFFAOYSA-N 449.353 0.919 50 20 ICGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643926 MOBWHRHZZISNQT-SFHVURJKSA-N 429.521 0.383 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 772194037 ZEUNNYQASQLXKA-HNNXBMFYSA-N 434.497 0.031 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNc1ncncc1Cl 781830700 UCJNMDHMCHDKMX-CYBMUJFWSA-N 441.897 0.815 50 20 ICGD O=C(CSc1nnc2ccccn12)N1CCN(S(=O)(=O)CBr)CC1 782774583 SZKAXHSVJPLUKI-UHFFFAOYSA-N 434.341 0.648 50 20 ICGD O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784829728 YXHNTIOIVMKRCK-UHFFFAOYSA-N 449.445 0.698 50 20 ICGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNc2ccnc(N(C)C)n2)cc1F 784970430 VFZLHXPUKJESSB-UHFFFAOYSA-N 428.432 0.998 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)cc1C 788331656 SWYGOYQNCJLLBL-UHFFFAOYSA-N 437.416 0.465 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792387774 GNUPQXMMCOOSFZ-UHFFFAOYSA-N 429.462 0.594 50 20 ICGD O=C(COC(=O)[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 795738942 IJKRMSMRJDJYSQ-FZMZJTMJSA-N 431.367 0.401 50 20 ICGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 796992810 XLSOOIOKWKMXPH-UHFFFAOYSA-N 427.509 0.762 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 797400384 ZLCFUANFJGEKDY-IBGZPJMESA-N 448.457 0.811 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 801105292 CIJVJYOTGBPIBX-UHFFFAOYSA-N 433.465 0.160 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1F 802566538 UQVSKCFTCAJQDF-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC 806980031 MEMMPFJKNMDIFE-UHFFFAOYSA-N 432.227 0.367 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)ccc1F 806980081 NXCLDTZICJYWKA-UHFFFAOYSA-N 436.465 0.798 50 20 ICGD C[C@]1(NNC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CCS(=O)(=O)C1 807238047 QXUGFNHMIGOTOA-VQTJNVASSA-N 449.533 0.793 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2O)cn1C 808079688 QJUTXFOCJPGFMU-UHFFFAOYSA-N 429.838 0.753 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1ccncc1 810468332 PISJWSBCVZHURH-UHFFFAOYSA-N 427.280 0.513 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 810560850 OBPMBTCRNYIENV-UHFFFAOYSA-N 435.510 0.703 50 20 ICGD O=C(COC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 914677244 SLYWCKPCKUTVBL-WDEREUQCSA-N 432.311 0.356 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)[C@H]1CCS(=O)(=O)C1 914717476 MFXRUZSTEPZVGO-XOBRGWDASA-N 434.518 0.478 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c2ccccc2c1=O 914750644 SONHSMZLCWJWKB-UHFFFAOYSA-N 445.457 0.386 50 20 ICGD CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 915949820 RQQXDEBJVDQDSR-UHFFFAOYSA-N 430.895 0.789 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)COC1CCCC1 916033243 RZTBKZLDEQFIGM-UHFFFAOYSA-N 439.534 0.747 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(O)n1 916741285 UFXWPKMHCFBWHI-UHFFFAOYSA-N 448.501 0.510 50 20 ICGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 917941446 RHVMPJCENZBXAS-YUMQZZPRSA-N 438.325 0.211 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)C2CCCC2)cc1OC 919275227 AJFNNDKVBIPKAQ-UHFFFAOYSA-N 428.463 0.365 50 20 ICGD C[C@H](CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1ccnc1 920426888 FKJDBGPRNHCIFL-MRXNPFEDSA-N 449.533 0.635 50 20 ICGD O=C(NNc1cncc(Br)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1116389470 CAKSARAOQGTXIL-LLVKDONJSA-N 430.284 0.453 50 20 ICGD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1261222353 GEJBNWQPFVNIOM-CYBMUJFWSA-N 439.563 0.935 50 20 ICGD CNC(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 1319349083 SQSRVYDSLIWEFI-UHFFFAOYSA-N 432.506 0.134 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778918346 HCBDIKWTIYJTFR-VGSWGCGISA-N 431.537 0.690 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1779029010 QGOFIKYJMYBXIL-YCRPNKLZSA-N 431.493 0.088 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782607644 UVFLYSRRQVDPJW-SZOQZIPDSA-N 443.346 0.922 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1782612726 CPWIWNHSHRLHML-JTKSSWDBSA-N 432.525 0.291 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783345382 ZVSQXMLZJPZZCE-ACJLOTCBSA-N 439.310 0.798 50 20 ICGD O=C(COc1ccccc1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783355977 VNZFAZNUQKXORU-JOCHJYFZSA-N 442.252 0.028 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 1783870990 LAZQFELOGJUCIU-HMRDUNCJSA-N 449.935 0.943 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 1783877039 ZOPAMDVYDQGNBQ-LIRRHRJNSA-N 425.869 0.566 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCCCn3cccc3)CCO2)C1 1783936334 UVPISQUQNRMFSM-QFIPXVFZSA-N 433.553 0.861 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785406489 KJWIMBFGJSJKML-NRFANRHFSA-N 445.428 0.943 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1785562141 QXDVJVUYDPDUSR-KUDFPVQQSA-N 437.924 0.889 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984584 QCZLTPCNCSYGRN-RGISNVEOSA-N 435.289 0.068 50 20 ICGD Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788533884 OKQPWSRJUHGOKZ-UGQVUOCMSA-N 430.958 0.531 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccc1C 1789620008 DSLJQEIKTZGFOQ-BJLQDIEVSA-N 446.548 0.970 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791598312 NPPPFFKBSMIQSV-AJNGGQMLSA-N 441.326 0.866 50 20 ICGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1792653453 OPPQKJFSJDLHAI-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110418 SIUDDBAHNUIYGF-KHMAMNHCSA-N 432.949 0.466 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1793447142 WZEUNAOBYPQYBW-JYYAWHABSA-N 435.974 0.409 50 20 ICGD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880941 LYWANMSAYRELSR-FQLMCAECSA-N 432.949 0.270 50 20 ICGD CCC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1796381856 HGZTWZFOOQERCE-KOUHRCEDSA-N 439.321 0.413 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1799264808 VZTKLFWCPUPFOH-OCVGTWLNSA-N 429.926 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2)[C@@H](F)Br 1799350268 WITGHNWTEINKNF-RDBQEKCUSA-N 431.262 0.559 50 20 ICGD N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800333660 DRTJZXXSPOBOFO-INHOUBOVSA-N 433.306 0.904 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)no1 1800758205 UYYDGMUTMPTXSR-LSSIXWDNSA-N 443.298 0.685 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2ccccc2O1 1800952470 RBHDPTSAYJXQFV-ZRAXVTTISA-N 444.532 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c[nH]nc3c1)C2 1801011694 ZXNCHEADLBJVIU-CWPLJXCYSA-N 428.493 0.139 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 1801133660 WJEVZTYAPJIINI-CYBACASGSA-N 445.520 0.261 50 20 ICGD CCOC(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)OCC 1802595379 HGOJCCKAEPWRIJ-QDMKHBRRSA-N 433.509 0.726 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1)[C@H](O)CCl 1803135730 GPTLYTQKXGYSFZ-KHYOSLBOSA-N 434.880 0.002 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803142992 QDWMAMPZPPYZAI-FMKPAKJESA-N 427.958 0.171 50 20 ICGD CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCO1 1807362294 GBQWNXJGRJNGNU-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)c1F 1807771167 NZHRFHDKSZTZHJ-UHFFFAOYSA-N 428.273 0.696 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1809552185 XRSUXCAUGUHGJX-SKBHOOIQSA-N 437.305 0.649 50 20 ICGD Cn1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1=O 1815414737 NGDGKZZUOCUGQT-SFHVURJKSA-N 449.276 0.408 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)[C@H]1SC(=N)NC1=O 1817246040 YSVAPIFSHBSEID-IQOVXZNZSA-N 445.954 0.457 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n(C)n1 1817470637 FRWSGNPAQAKRFQ-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410677 OMXXKAHPQYMIIK-MRXNPFEDSA-N 449.556 0.937 50 20 ICGD Cn1cccc1C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822865968 AYNZPHPCELZWSA-QGZVFWFLSA-N 449.276 0.617 50 20 ICGD CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825447470 XYQPXHGXYVFBGZ-GUBZILKMSA-N 446.371 0.821 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(F)(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826390198 BNAFNAGIABINPC-JTQLQIEISA-N 429.641 0.880 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cccn2)CC1 1827210263 DKKMQFFNWAFVIA-LJQANCHMSA-N 439.520 0.815 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364256 DNRHZOVXNGVCRV-FQEVSTJZSA-N 425.913 0.720 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830537997 SYUCNWYXNITPJN-YOEHRIQHSA-N 429.315 0.371 50 20 ICGD COc1ccccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720400 ZGYQGIWTHYFDBJ-UWJYYQICSA-N 440.924 0.684 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832433712 SIIFQEYEIHHRKJ-UTKZUKDTSA-N 440.924 0.738 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1832480937 KNLVAFDYKXEWBI-MHTWAQMVSA-N 426.322 0.492 50 20 ICGD Cc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1832953130 TZOOTOBFSRFTLZ-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833040292 CBZOVWKSZNEWAQ-WBVHZDCISA-N 447.305 0.647 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1)[C@H](O)CCl 1833312544 QYWGPLAHVHIUJZ-CPQSRKOASA-N 444.960 0.687 50 20 ICGD CS(=O)(=O)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1 1833398459 CNJDDVAHNZIQJU-RHSMWYFYSA-N 449.888 0.090 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1F 1833675132 SUNHVPVEDHCQON-IUODEOHRSA-N 437.241 0.618 50 20 ICGD O=C(c1cncc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834360063 VAFFTKURJMIGTH-BBRMVZONSA-N 434.237 0.981 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1834819211 KKKWOFMFOYXJNI-QGZVFWFLSA-N 429.267 0.495 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)o1 1836019355 OCZYDKIXHWZSEZ-SJCJKPOMSA-N 445.314 0.408 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840034406 JUVYENUKKBFAPU-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840150320 IKXVWGUTJLPJND-OXJNMPFZSA-N 445.944 0.099 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840155091 POHNIZIETIGVIF-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c1OC 1840188761 AOKONSMUHDSZEZ-GOSISDBHSA-N 448.303 0.973 50 20 ICGD CC1(C)CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1840224884 LNVXNRULUTWIIT-QFIPXVFZSA-N 445.520 0.191 50 20 ICGD O=C(C1CCC(O)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840274576 OCKOSSWXAUBFBO-QKRUXVEJSA-N 437.306 0.684 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCC3)CCO2)C1 1840847542 SHXFYXVAUJYJIE-OLCUMFGGSA-N 445.520 0.767 50 20 ICGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130979 IQENESNIOQWKEE-VIFPVBQESA-N 431.312 0.439 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(C(F)(F)F)ccn2)C1 1844510406 BHNQQQMIKAVFML-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD Cc1cc(C)n2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2n1 1845731231 VAVSBAWMMIDREN-UHFFFAOYSA-N 432.289 0.762 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1846386516 VIIVIAUUHHLGEH-UHFFFAOYSA-N 429.521 0.578 50 20 ICGD CC(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 20915542 BZRXWUNGMLYKDU-ZDUSSCGKSA-N 439.943 0.225 50 20 ICGD CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 725740744 IQGLJXBDGVSSTB-HNNXBMFYSA-N 433.440 0.964 50 20 ICGD CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 728856579 WCUFGJBAJSARCJ-UHFFFAOYSA-N 444.517 0.612 50 20 ICGD O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)C1CCN(c2ncccn2)CC1 729622795 AUIIYDMPAOAOQK-UHFFFAOYSA-N 431.541 0.668 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)C2CCCCC2)CC1 735117325 QYJMSHZPTBLODZ-UHFFFAOYSA-N 438.554 0.157 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)COCc2ccccc2)c(F)c1 737756436 MEHCLSDQNRGCAB-UHFFFAOYSA-N 431.467 0.724 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1OC 739668515 MYQNGJKZZSXWAA-UHFFFAOYSA-N 449.489 0.498 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 740851884 ZZSOUONFWPYMKE-KQPPXVQYSA-N 443.504 0.242 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2c1=O 743285426 VXUGEIHPGDBUOG-KRWDZBQOSA-N 435.484 0.986 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1 743293567 CDJISHQDLSYGOY-AWEZNQCLSA-N 436.538 0.580 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCNC(=O)c2cccs2)cc1 743552825 ZFXWMPRSRVNEFY-UHFFFAOYSA-N 425.492 0.917 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cccnc1N1CCOCC1 744619577 SQNCCFMSUMUQMF-UHFFFAOYSA-N 447.517 0.696 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)c1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 746183676 MWJHEBAKAOYMCD-KRWDZBQOSA-N 445.435 0.926 50 20 ICGD COc1cc(C)nc(NNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 746633419 SZLBFBIHLVPQRH-UHFFFAOYSA-N 437.478 0.580 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)CCOc2ccccc2)cc1S(N)(=O)=O 747177846 XSFXUEIOFHUBIF-UHFFFAOYSA-N 425.438 0.641 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1ccc(OC(F)F)cc1 748649226 NJOPYESNRFPKPT-UHFFFAOYSA-N 428.373 0.987 50 20 ICGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1 753786375 SAAUEOVJPLVBJF-KRWDZBQOSA-N 426.539 0.128 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)CC1 755954588 CUIOOZJTGSUXSE-CQSZACIVSA-N 444.510 0.492 50 20 ICGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)=NO2 760078926 IGURQXKBJOFSOI-GFCCVEGCSA-N 444.510 0.115 50 20 ICGD CN1C(=C(C#N)C(=O)COC(=O)c2ccc(S(N)(=O)=O)nc2)N(C)c2ccccc21 762875193 PKDPKXFWSLZKJM-UHFFFAOYSA-N 427.442 0.776 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763681882 PCFZENZDSSSHBW-UHFFFAOYSA-N 438.444 0.223 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 763871693 HCLXWSZWUSMDRI-LBPRGKRZSA-N 430.417 0.866 50 20 ICGD CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2C1 763942266 STTPLZMSQHNLRF-LBPRGKRZSA-N 446.533 0.981 50 20 ICGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1)N1CCOCC1 764277024 GGLCFUCQSNDDDM-HNNXBMFYSA-N 442.472 0.950 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1F 764389046 VZJQOARWOGEFOQ-UHFFFAOYSA-N 428.355 0.854 50 20 ICGD Cc1nc2scc(C3CC3)n2c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 764675717 HMMGTRMBYSRGAQ-UHFFFAOYSA-N 433.519 0.616 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1cccs1 767636507 KANMHPBUGZVUBI-NSHDSACASA-N 436.471 0.291 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CN(C)CCO1 770433632 BOLDAHCBXPWRGF-PBHICJAKSA-N 439.538 0.134 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 771002538 DEJQODMUXOGWRD-CYBMUJFWSA-N 448.501 0.241 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 771867231 JLQHOMOIQPYOFG-SECBINFHSA-N 441.384 0.353 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 771939485 OXBOZVXQAJQDIM-CYBMUJFWSA-N 425.507 0.723 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772884906 RJJDRGCFDFYFMV-UHFFFAOYSA-N 441.897 0.432 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 776178334 NGHGOSTYYLKRGY-UHFFFAOYSA-N 441.410 0.919 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCOC[C@H]2OCCOC)nc1 777275196 OGEIOMBIXVAMFY-JKSUJKDBSA-N 445.542 0.559 50 20 ICGD COc1c(F)cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 777596371 RUWCFJAMQNCXKH-CQSZACIVSA-N 427.366 0.892 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NN(C)C(N)=O)cc2)cc1 778415601 MZDSVHYCQUHISK-UHFFFAOYSA-N 449.489 0.891 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 778433776 ROMUKCUXKKZWRG-OAQYLSRUSA-N 445.476 0.658 50 20 ICGD Cc1ccncc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230459 OBJCTAQDFSEABU-UHFFFAOYSA-N 432.506 0.408 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1nccnc1Cl 784780784 MVNXETXQGCSCSK-UHFFFAOYSA-N 440.869 0.661 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1C(N)=O 789734793 OWHDICGWRZFZHW-UHFFFAOYSA-N 430.417 0.443 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(F)c1 790386957 OJSSLZXNYWCZGJ-UHFFFAOYSA-N 431.467 0.708 50 20 ICGD Cn1cc(C(=O)NNC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cn1 790895050 NLUMTLFDQAXWIU-FQEVSTJZSA-N 425.449 0.789 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H](C)O1 792627966 BXYIQNWEGROWBS-FHSNZYRGSA-N 448.442 0.265 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC(F)(F)F)c1 792695979 CFBBUOGBPMNFIL-QMMMGPOBSA-N 446.381 0.028 50 20 ICGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)c2cccc(C)n2)CC1 792875226 YYQKRUOMCGXLST-UHFFFAOYSA-N 434.497 0.851 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1ccnc(Br)c1 793835923 XLCYJICRZGSJTQ-OAHLLOKOSA-N 426.271 0.903 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C 797355685 UDJNTFLYSXEOTE-LLVKDONJSA-N 437.840 0.571 50 20 ICGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 803469876 PZUUQVWEAVPBFI-JOCHJYFZSA-N 436.424 0.269 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cc(Br)c[nH]1)C2 804868622 AGBYVZNSLYRYEY-STQMWFEESA-N 441.330 0.805 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2CCCS(=O)(=O)C2)c1 814698674 NVMMNIGERVJJFO-CQSZACIVSA-N 445.563 0.693 50 20 ICGD O=C(NCCc1cccs1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915905502 LRSSLVPMRGAKGS-UHFFFAOYSA-N 438.531 0.956 50 20 ICGD COc1cc(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)ccc1OCC(N)=O 916641155 ZXNSYISEXXHQIU-UHFFFAOYSA-N 426.433 0.660 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)c3ccccc3C2=O)c1 919787978 BXDDNQGWRXGZPR-UHFFFAOYSA-N 430.442 0.330 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNc1ncncc1F 1117765871 DZRXFQICQBQWNV-CYBMUJFWSA-N 429.861 0.946 50 20 ICGD Cc1nnc(SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 1317978370 UCZZDVWYXHYEJV-CQSZACIVSA-N 438.535 0.244 50 20 ICGD CC1(Cn2cc(C(=O)NNC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)nn2)COC1 1320162151 CPCLDAODOLVVCT-UHFFFAOYSA-N 437.501 0.658 50 20 ICGD CC(C)n1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032144 CFJACSQOMLEEPQ-OAQYLSRUSA-N 441.492 0.220 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)F)CCO2)NC(=O)NCc1ccccc1 1780969473 HGDIZYHPXPZZIL-HXUWFJFHSA-N 439.463 0.428 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1783933822 ZODHJJASZUMSTB-IBGZPJMESA-N 425.436 0.176 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783937816 OTAPKHWMUPBLCO-QFIPXVFZSA-N 445.520 0.462 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)[C@H](F)Cl)CCO3)C2)C1 1784015951 XADMYVWNTRGGSL-MJXNMMHHSA-N 449.907 0.723 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085420 JPSRBTJSPQQSIV-XQLPTFJDSA-N 447.960 0.869 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785503657 NHUKBWHAHXKIOW-GLUQICOUSA-N 426.853 0.246 50 20 ICGD O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)NC1CC1 1786406470 UQMIXRJWUWERSS-MJVUOBLBSA-N 428.327 0.586 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746846 LFRIBDYDTWMBPA-IUVQAAGXSA-N 436.380 0.925 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387739 MMOIXCUZSWULNE-MXAVVETBSA-N 437.884 0.282 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788147893 NAECKXOEPABXPG-OAHLLOKOSA-N 435.289 0.805 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788765907 WNYNDXQCQQSDLA-UGUYLWEFSA-N 449.646 0.145 50 20 ICGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)c1=O 1789921748 VWXHNPANTLDYII-DOERSZECSA-N 430.274 0.669 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791057696 OBIDPATUAAKAPF-VOAKCMCISA-N 437.298 0.501 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C[C@@H]21 1791291331 SNGBQBIMVDLXAF-DZKIICNBSA-N 448.549 0.362 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792884382 MPGSWHHYANZPJH-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2 1793880936 LWUXVLIKYXMWOV-USZNOCQGSA-N 425.860 0.973 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794110983 AEIHKCIRMYTCNE-VOZNZKSSSA-N 438.912 0.600 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3occc3c1)C2)c1ccc(B(O)O)cc1 1795734216 JRGKTBCGUVJPKE-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NC(=O)OC(C)(C)C 1796388641 YGUIHVSVVOMOOJ-XYFZXANASA-N 433.933 0.479 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)CC(=O)N2 1797981290 SGBPJKSEPYLYAA-MUJYYYPQSA-N 448.483 0.745 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2nccc2c1 1798227029 CLDOOQZMWRTKSR-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1 1798439846 KETNKFXQRJBKMR-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)s1 1799042805 GWJLQUJPOVSZIQ-DDFXLWFNSA-N 430.910 0.267 50 20 ICGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(OC)c1 1799557629 DXPAGDODSKEORP-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805447093 UUPJHKWLXKHHSY-QGZVFWFLSA-N 431.537 0.937 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359407 ISYSTIVQHCWUQK-QUCCMNQESA-N 437.305 0.696 50 20 ICGD Cc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364155 PHNQPMWUNGLROS-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncs2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369191 CDXFJPVHGFFNJN-LPHOPBHVSA-N 436.302 0.851 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1812864735 PGDBZNFCCNXTNW-LNSITVRQSA-N 432.340 0.915 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067177 VCZIVWARCMWLOV-DRTKUVKGSA-N 436.365 0.884 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n[nH]1 1815343655 HOJPAFWKSRILBT-ZDUSSCGKSA-N 425.279 0.394 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSCC(=O)O)[nH]n1 1822416790 PLWBHEIAJKMOTR-CYBMUJFWSA-N 440.526 0.593 50 20 ICGD O=C([C@H](F)Br)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824903185 FALPJUBTNCLQLK-WFASDCNBSA-N 447.305 0.848 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C)CC1)CC2 1826000615 YPEYKVQSSDDWQC-STQMWFEESA-N 429.974 0.556 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1830534907 DPQCHBPUWABIPA-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830538384 DYFYMXRFIUSCFS-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)COC1 1830543745 BOVSZSMUEHEKFF-KDOFPFPSSA-N 433.343 0.900 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830724177 WDLBIWRBCVQXOV-PXNSSMCTSA-N 426.897 0.294 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832715811 BQGGPRMQMBHAJK-RDTXWAMCSA-N 432.304 0.334 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312341 LYHNXMSMWXLXKD-RHSMWYFYSA-N 438.960 0.448 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1834121933 PWLIYZLQLZHWSM-BBRMVZONSA-N 433.278 0.489 50 20 ICGD O=C(c1cc(=O)cco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834605965 DSVCAPFHMOPHBK-CZUORRHYSA-N 433.230 0.400 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1834777733 KHMZXCXLCXGWCM-MVWKGKBHSA-N 447.326 0.736 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cn1 1834819648 SIJSKEXOJNJAHW-SFHVURJKSA-N 442.310 0.945 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1835055423 RJSWRRVBRHLMPO-HNNXBMFYSA-N 446.390 0.790 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835147567 DWIGBMRHUIPRND-JXFKEZNVSA-N 426.897 0.430 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3noc4c3CCCC4)CCO2)C1 1836429982 JIFBAMGDFJIDHC-MGPUTAFESA-N 441.912 0.877 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837716020 XQNVKLJCOYLCPX-KXBFYZLASA-N 446.573 0.856 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792997 RUSKJCHEJMNJFI-SJKOYZFVSA-N 429.861 0.795 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839144469 AUXFXBHDWZVRGM-IFXJQAMLSA-N 442.900 0.785 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839286326 HOWSZUPMJVRBEE-YJBOKZPZSA-N 436.814 0.774 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)no1 1840036726 QLPCAHZNTGIPTA-DYVFJYSZSA-N 430.299 0.765 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103841 VPRPKWVMUMDRLK-OXQOHEQNSA-N 429.945 0.863 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840199611 GDPACDUWJQRSJG-IAOVAPTHSA-N 443.393 0.793 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359832 QAXLIJRZQZCKDR-WMLDXEAASA-N 444.330 0.298 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497357 VLIMAUKMZLXXRL-HXUWFJFHSA-N 437.569 0.638 50 20 ICGD CC/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840631121 JAOWXZCLYYZPPS-DPDMALBLSA-N 431.493 0.111 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1F 1840700432 RBJVRAZGWPQXFO-LIRRHRJNSA-N 432.851 0.943 50 20 ICGD COc1ccc(COCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843015251 XLZVDOHJDQJCQX-UHFFFAOYSA-N 438.289 0.409 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3=O)C1 1844127789 UUWGSOVSVZLBPU-UHFFFAOYSA-N 427.461 0.011 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1845104047 RZRIEYSWNVUQEM-MCIONIFRSA-N 431.917 0.017 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)CC3)C1 1845704995 VFXLYOVZKDGEKN-UHFFFAOYSA-N 448.483 0.701 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847197279 GPUBPQPVFDUDGY-HOTGVXAUSA-N 444.879 0.871 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)c(C)n1-c1ccccc1 726157814 XGHPVANMLPOCNJ-UHFFFAOYSA-N 430.490 0.789 50 20 ICGD CCN1CCC(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 726278318 JFESCJQRLOGSBI-UHFFFAOYSA-N 425.555 0.678 50 20 ICGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 728208789 SQMDVHNBJZILBO-LLVKDONJSA-N 429.458 0.546 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2cc(OC)ccc2Br)CC1 728744244 SJRWBJFQSOUWOM-UHFFFAOYSA-N 442.314 0.612 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 729165790 ISNKFKKLGMGANO-UHFFFAOYSA-N 444.473 0.064 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 729495343 XVTISHICTSPIES-UHFFFAOYSA-N 436.520 0.974 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1NS(=O)(=O)C(F)(F)F 732751835 XOMUULPQDZUXNA-MRVPVSSYSA-N 429.398 0.144 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)c1 734216456 SCVDPBWEVLAVCJ-MRXNPFEDSA-N 439.538 0.670 50 20 ICGD O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)[C@H]1COc2ccccc2O1 741742778 JOXNHHUOTVNZGC-CZUORRHYSA-N 427.417 0.164 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1 742035790 ZPYODYNKMCAKLF-NSHDSACASA-N 427.914 0.747 50 20 ICGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745863014 ARXDZCYKSFLDJC-CQSZACIVSA-N 428.511 0.467 50 20 ICGD CC(C)OC(=O)[C@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745905479 KGZDDTOWZXIOQP-CQSZACIVSA-N 442.542 0.232 50 20 ICGD Cc1c(Br)cccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747608398 JPGSEGMFUFQLMZ-VIFPVBQESA-N 426.314 0.437 50 20 ICGD NC(=O)NCCCCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 751134001 SKWMCGKEGVVQGG-UHFFFAOYSA-N 436.476 0.988 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OCC(=O)NC(C)C 751206214 HFIPOBKUHLGGOS-UHFFFAOYSA-N 448.501 0.851 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 755495722 OOMKSRNBGFAXOS-OAHLLOKOSA-N 439.494 0.506 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 755933731 NMJRQSSEBAPZNK-UHFFFAOYSA-N 426.433 0.979 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 757926788 ZQBZAOVYKFOXLP-UHFFFAOYSA-N 427.421 0.793 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)s1 758838122 FCNKIHLPLNTFGM-LBPRGKRZSA-N 437.503 0.391 50 20 ICGD O=C(Cc1cccc(I)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 760446250 JIVHXTCSYXCLEX-LLVKDONJSA-N 437.259 0.351 50 20 ICGD COC(=O)c1cn([C@H]2CCN(CC(=O)NNC(=O)c3cc(Cl)ccc3OC)C2)nn1 760868895 KUFKKFKFGDPCBD-LBPRGKRZSA-N 436.856 0.435 50 20 ICGD O=C(COC(=O)Cn1cnc(-c2ccccc2)n1)NNC(=O)[C@H]1COc2ccccc2O1 761594354 GEHVHYKQDXZDQQ-QGZVFWFLSA-N 437.412 0.476 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)cc1-n1cnnn1 763451436 ZLMWCWFILSVKKN-UHFFFAOYSA-N 432.400 0.619 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 763538901 GEUMHCLVCAAYDF-UHFFFAOYSA-N 445.428 0.828 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c2ccccc2O1 763602226 XLJKOMWXKUTOID-GOSISDBHSA-N 449.423 0.805 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c(OCCN(C)C)c1 763815020 ZPOCDVSUQLTZKX-UHFFFAOYSA-N 439.472 0.972 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763850607 OQJKUJIOBQSAHK-SNVBAGLBSA-N 431.359 0.494 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OCCC(C)C 764002588 OAOANRPOVZQWKU-CQSZACIVSA-N 425.507 0.941 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764243125 MLZXFYZZHOFKSO-UHFFFAOYSA-N 443.485 0.644 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)Cc2cccnc2)c(OC)c1 764269046 RRJFCLWICUNYNV-UHFFFAOYSA-N 438.444 0.672 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764280946 ILVGLFKIDKYMAG-UHFFFAOYSA-N 440.500 0.986 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 764327389 ZEZMRGRQGVAPEB-CYBMUJFWSA-N 435.481 0.586 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccncc2)ccn1 764352872 CYIFLWRNAGPUPW-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cn1 764360098 SPUMUYITXFREFI-UHFFFAOYSA-N 438.419 0.889 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1I 764398077 CNQHQAOJORCONM-VIFPVBQESA-N 435.218 0.429 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cccc(-n4cnnn4)c3)CC2)cc1 765749438 NSFLXCUABRGXAB-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD COC(=O)c1ccccc1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 767775422 KGZMRDBTFVOYGW-QGZVFWFLSA-N 428.397 0.546 50 20 ICGD O=C(NNC(=S)Nc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 768581561 QNXMLOYMCUNPJC-UHFFFAOYSA-N 439.494 0.873 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2csc(NC3CC3)n2)CC1 769104558 DWEBCFQMQGUFHH-UHFFFAOYSA-N 437.551 0.805 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 770949272 CSRZRFZCDJIMRA-SOUVJXGZSA-N 429.514 0.882 50 20 ICGD O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772898255 OOFSGVILLZPEJP-UHFFFAOYSA-N 430.896 0.321 50 20 ICGD O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 773711295 UCQPNBFPQJXKNV-MRXNPFEDSA-N 426.360 0.475 50 20 ICGD COc1ccc(F)cc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 773859553 VMJNZZMDTKQGJK-UHFFFAOYSA-N 428.464 0.982 50 20 ICGD Cc1cccc(F)c1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 775284741 XASYPUCNXHIUCM-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCNC(=O)c1cc[nH]n1 780051634 URFUZHJZTYTGQQ-UHFFFAOYSA-N 425.243 0.311 50 20 ICGD Cc1c(NNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cccc1[N+](=O)[O-] 784354822 OBPIAZMCRMEVCG-UHFFFAOYSA-N 444.452 0.979 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1=O 785086965 VXSFHORDKJDXOA-UHFFFAOYSA-N 446.467 0.994 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 788178605 TVNXRISRIKDHRS-HNNXBMFYSA-N 443.489 0.877 50 20 ICGD Cc1cccnc1NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 791218631 CGCBNUQNUYKWMD-HNNXBMFYSA-N 426.520 0.615 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@@H](C)n2ncnc2N1C 791469441 UGEQNGBLZMJVRR-IUODEOHRSA-N 442.432 0.094 50 20 ICGD O=C(CCn1cnccc1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 794394406 XGJVGTJAAMPPNA-UHFFFAOYSA-N 432.912 0.252 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)CC1 795110930 XBRZTRBCNJLPRK-WKCOEPHCSA-N 443.573 0.855 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1 800748781 MPEYJCGYCDSWMW-OCCSQVGLSA-N 448.571 0.112 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c(F)ccc(O)c2F)CC1 809682739 AEZITDFPXFPLSG-UHFFFAOYSA-N 427.433 0.758 50 20 ICGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 811682546 AAEBTEYOLKKUBG-UHFFFAOYSA-N 433.490 0.418 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(CN4CCCC4)on3)cc2)CC1 812497537 DEARUTPUICPSNZ-UHFFFAOYSA-N 448.549 0.963 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2C1 815778790 GCTSDTHYGROBFG-XJKSGUPXSA-N 447.492 0.729 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 913210540 BGRLBIYCUQKBQB-GFCCVEGCSA-N 441.444 0.259 50 20 ICGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)Cc2csc(N3CCOCC3)n2)c1 915954321 SSBBCSBAGLCNOE-UHFFFAOYSA-N 437.547 0.971 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)S(C)(=O)=O 916105877 RRRFIAOXFGKSBP-ZDUSSCGKSA-N 439.515 0.359 50 20 ICGD CC[C@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091224 MCIMFDKPJDTFAT-QVQKURAXSA-N 446.552 0.632 50 20 ICGD Cc1nc2sccn2c1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778722066 OQYMCVMLOFHMCE-FQEVSTJZSA-N 448.549 0.521 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1Cl)CCO2 1779028804 RVKSFNYKRLFXBW-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779465748 ALPCUKXSQQFFBY-DKZVUGQWSA-N 432.326 0.307 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527902 AEGPOKIINSBQLO-IAGOWNOFSA-N 431.276 0.855 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cccn1 1782562305 SKHWYRDOUQCALF-CBGDNZLLSA-N 434.541 0.331 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1782866606 FHBPSMQPKBHZIK-KZCSGBEASA-N 444.438 0.838 50 20 ICGD O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783245494 CJAPZTXCKQFPJV-XPDMDZMYSA-N 426.322 0.636 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783535854 DAOJBPHTHLTXKT-QAPCUYQASA-N 443.386 0.380 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783537087 KITJLVBZSRKZOX-HDMKZQKVSA-N 431.375 0.236 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783874356 DHSKFRJKZQEKGA-HRAATJIYSA-N 448.907 0.863 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934772 LZLPQNFBNAIUSX-KUHUBIRLSA-N 438.554 0.146 50 20 ICGD COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cn1 1784086773 ZYPYTTRWIOMZSW-QAETUUGQSA-N 425.913 0.602 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092207 JMIZMRQVCPNJAD-SDADXPQNSA-N 430.958 0.531 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981806 MCHLFFISLGGQNF-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccc1F 1786984745 DYVLWGHJNVLQCO-CUWPLCDZSA-N 440.280 0.721 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 1787508610 CRQZWVYAMOKVFT-ZPSROVLTSA-N 438.488 0.809 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1[nH]cc2c1CCC2 1789160959 CSBXBICKQBGINU-VDGAXYAQSA-N 437.305 0.090 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791257290 XCHDKKIQMPJIEF-HAFSJTIUSA-N 449.932 0.063 50 20 ICGD Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792681948 KNMXBLPCYNJKQA-HBCWATKFSA-N 441.463 0.650 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1795114971 RXYJLNIQKVXTIH-YPIIOCQESA-N 442.354 0.762 50 20 ICGD COc1ccc([C@H](O)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cc1 1796189716 QWZDTHIDALWRAL-JTJHWIPRSA-N 438.289 0.360 50 20 ICGD CC[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1801801322 DTKWHJYEWHANRV-YVSFHVDLSA-N 443.386 0.962 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967108 VBKGJTUMIZQLFP-UHFFFAOYSA-N 440.353 0.493 50 20 ICGD O=C(CCN1CCOC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978785 RALXMFJTPURIAM-UHFFFAOYSA-N 443.309 0.054 50 20 ICGD COCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1815190350 XUAHWVASLCKCOY-QGZVFWFLSA-N 426.282 0.822 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824304033 JIFICASQNCOJEZ-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(F)c[nH]3)sc2C1)c1ccc(B(O)O)cc1 1825732184 BXBMTGKMEGRMTR-ZDUSSCGKSA-N 428.254 0.830 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1830537033 AMTORLIFSHDDJZ-GUYCJALGSA-N 429.315 0.521 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1831652260 XHVQIFXPQHLMIO-KSSFIOAISA-N 434.990 0.334 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831877300 ZSGMXLXGDXSDGU-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)cn1 1831954981 ALHQNHMKSVAYHI-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313511 IQOWOXTZRMZXIO-GOSISDBHSA-N 425.961 0.740 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1833534990 QZWZUTGJSYJGSD-INIZCTEOSA-N 444.960 0.509 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834703437 WYSHMEPFFAOYKP-QGZVFWFLSA-N 426.993 0.805 50 20 ICGD O=C(Cc1cc(F)cc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836116996 HJDNJYTZHJMXDQ-APWZRJJASA-N 432.851 0.563 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1836945605 HBBDDABLJNYHBY-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836971898 KHAQTRQWMUIARI-LIRRHRJNSA-N 426.901 0.753 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837626220 ARXHDISFWPGTLI-FQEVSTJZSA-N 438.912 0.742 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1837919487 XLCGKAZCPYBNNO-QGZVFWFLSA-N 426.681 0.513 50 20 ICGD N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1838595170 KGJJEWQTCGEERQ-BEFAXECRSA-N 442.299 0.881 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1F 1839198037 QXRQAZJNSHMOFI-IUODEOHRSA-N 437.241 0.618 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840031532 STBQENTXOKMWBO-UGSOOPFHSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840150848 RVXODPLZPKQDMJ-DYVFJYSZSA-N 433.292 0.454 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840152454 IYCNIUJXCDGGHP-YJYMSZOUSA-N 437.884 0.282 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840153479 PQGAOVYLZCNECR-OXQOHEQNSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1C)CCO2 1840493016 PFTAHKRJYXCQBL-URLQWDBASA-N 428.917 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)C1 1841172999 JIRNYLZAZAZJHR-UHFFFAOYSA-N 436.534 0.280 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC12CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)C2 1843010348 GWWGCWGTAYECIK-UHFFFAOYSA-N 447.300 0.602 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccc2c1OCCO2 1843011143 VOGRYQSQMHREAH-UHFFFAOYSA-N 436.273 0.577 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccncn1)C2)NC(=O)NCc1ccccc1 1845038800 VHQJUFQZFYZDHW-UHFFFAOYSA-N 437.504 0.640 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1846385170 YIXSCPVJZNTAHZ-UHFFFAOYSA-N 427.461 0.011 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(-n3cncn3)c1)C2 1846385650 DZORXXRPQREWPG-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD Cc1cn(CC(=O)N2CCCC23CN(C(=O)[C@@H](C)CBr)C3)c(=O)nc1O 1846968529 ZZQYKSKKKCARGC-NSHDSACASA-N 427.299 0.492 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)c2ccccc2c1=O 105237877 SQWRGCOJRSZFJO-UHFFFAOYSA-N 429.458 0.529 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 728203397 PUBVKLJRRPLRAW-INIZCTEOSA-N 449.533 0.962 50 20 ICGD CCn1c(SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 728379370 LDWHISKOCWVCSG-JTQLQIEISA-N 429.549 0.701 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 728380744 UPIFARNVMOZDLY-DSQDWWTGSA-N 442.457 0.513 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728844846 DOAQXIQRZIEALK-IYBDPMFKSA-N 428.493 0.406 50 20 ICGD O=C(NCCCS(=O)(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 728951071 ZDXXKNJTMCOJLO-UHFFFAOYSA-N 446.533 0.887 50 20 ICGD COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 731493618 IKBBPGBTLCSESJ-IBGZPJMESA-N 448.457 0.382 50 20 ICGD CC(C)OCCCn1c(NNC(=O)[C@H](C)NS(C)(=O)=O)nc2ccccc2c1=O 733362607 TYEPVIOZTSLKPA-ZDUSSCGKSA-N 425.511 0.592 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(C(N)=O)cc2)CC1 734825080 SZDVEDYTXIEWPI-UHFFFAOYSA-N 435.481 0.894 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] 735117907 IQPLDOLGEIQRNY-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(-n3cccn3)c2)cc1 739678936 NKZXZPHOXNVZQH-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 744562201 XPUQLGVQJDJIAU-ZHACJKMWSA-N 442.453 0.453 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)c1 744909525 BGLKSFRIDQLTPD-ZWKOTPCHSA-N 443.431 0.714 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)c(Br)c1 745833664 AYFXESYHDOUFDT-UHFFFAOYSA-N 436.284 0.861 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2ccncc2)c1 747322952 DJKZIKDETPHLDE-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2c1=O 748697809 WEKKTVSMGNTBLX-UHFFFAOYSA-N 426.389 0.509 50 20 ICGD N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 750040158 TXJQAKRDLFPYCI-PTUIWSIFSA-N 440.503 0.594 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCSCC1 750920944 ABKUYFHICMMKHW-HNNXBMFYSA-N 427.596 0.503 50 20 ICGD CCNC(=O)C1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCC1 753745091 FPFUOBAGPNYIHH-UHFFFAOYSA-N 439.538 0.252 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 754183514 QPCVNPMUKPWHFX-UHFFFAOYSA-N 435.506 0.209 50 20 ICGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 758362177 PBUPSISCTGMXMP-UHFFFAOYSA-N 447.883 0.804 50 20 ICGD O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758824027 YTLZAPWIVWAHGL-UHFFFAOYSA-N 438.488 0.832 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 759376705 AEHZAVUKOBNCNW-UHFFFAOYSA-N 443.526 0.382 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccccc1Br 763482331 GQPJULUXHRBCKG-UHFFFAOYSA-N 438.238 0.759 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763944583 NCJDKNDQYYHEIC-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003669 GDQFRPUJWPXPIO-UHFFFAOYSA-N 429.385 0.409 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CSc1ccccc1O 764038600 XJMAVMKUHOMWLY-LBPRGKRZSA-N 434.499 0.870 50 20 ICGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1O 764130197 CVBDJZWDQZSRTA-UHFFFAOYSA-N 432.408 0.776 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)c3c(c2)OCCO3)n(C)c1=O 764819901 XAIZTQZVZZZCSL-UHFFFAOYSA-N 432.824 0.009 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnc(Cl)n2C)c1 765015971 SZAHZMHQDNWZSO-UHFFFAOYSA-N 449.942 0.727 50 20 ICGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770346851 RXVHXCLMDGZKOT-UHFFFAOYSA-N 428.519 0.631 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F 771605721 BBFFTQCXEVMCPQ-UHFFFAOYSA-N 447.803 0.942 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 773478315 BOUNJZQSCAVWCH-UHFFFAOYSA-N 426.385 0.687 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CC1 778437733 LBXVDNSQDNULMD-UHFFFAOYSA-N 442.494 0.422 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 778438116 KWXYBGFRXKABTF-UHFFFAOYSA-N 425.467 0.164 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn3c(n2)CCCC3)cc1 779829124 DGFHIUYXMIFKPW-UHFFFAOYSA-N 441.535 0.158 50 20 ICGD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998605 DUXCSCKJWBDQHI-AWEZNQCLSA-N 429.477 0.410 50 20 ICGD CCc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)no1 784229686 GAMZDHZHUGKEMU-UHFFFAOYSA-N 436.494 0.255 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1=S=C2CC[C@H](C)CC2=C1 786413612 CWYUGMWLWJLFAR-JTQLQIEISA-N 433.490 0.521 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 787897885 DNVQGLBNCSIWKA-PIGZYNQJSA-N 433.914 0.890 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)C[C@H](C)[C@H]2C(=O)NNC(=O)c2ccc(C)o2)o1 791133337 SBKXHOKQHTYCNT-NCAQKEMTSA-N 444.444 0.943 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 794597444 UCWGMRQFIBLSBO-UHFFFAOYSA-N 446.485 0.815 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccccn2)(S(C)(=O)=O)CC1 794720571 GQEXRPFJTGCNJA-UHFFFAOYSA-N 426.495 0.657 50 20 ICGD CCc1[nH]ccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 794811456 ZXGBFQGPKAGZDF-UHFFFAOYSA-N 434.518 0.992 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC(S(N)(=O)=O)CC2)cc1Br 799926885 ZQACNKUWFPGBDD-UHFFFAOYSA-N 435.300 0.565 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)C1=O 802038769 PNEYENMLOWZPCY-UHFFFAOYSA-N 432.618 0.676 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 811479771 LKTQXUPLIBQHSK-UHFFFAOYSA-N 438.437 0.178 50 20 ICGD Cn1cc(Br)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 814598462 LJQUNHXSZDGWEM-GFCCVEGCSA-N 439.222 0.327 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 815751754 NHWXJJOXBPKIAS-UHFFFAOYSA-N 433.446 0.350 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccn1 815779754 UAYWYPJNXCQTRS-MRXNPFEDSA-N 427.417 0.498 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)c2ccccc2c1=O 884751685 IOWOEPVUKWBWDG-FQEVSTJZSA-N 428.449 0.288 50 20 ICGD CCCNC(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 921042566 AHVLZHPOSJIQCN-UHFFFAOYSA-N 449.327 0.824 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779041647 JGYACBGRIXSZKD-MLGOLLRUSA-N 435.388 0.474 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779348977 ODRSYJSFJSZNEC-ORAYPTAESA-N 426.901 0.622 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779556557 ALFJXQFMJSFNJD-IIDMSEBBSA-N 448.358 0.436 50 20 ICGD O=C(c1cc2cccnn2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779960263 DQXNSFDYTDSXOK-BBRMVZONSA-N 426.246 0.863 50 20 ICGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)n1 1780774747 KTKQHZCNXZBQSM-AKWBHNSASA-N 447.309 0.524 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781227818 QCKUJNGBIJQAKI-MSOLQXFVSA-N 429.109 0.046 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781375204 HMUKRZOCWSNXEC-HXOBKFHXSA-N 438.289 0.277 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783492422 FRJRSORREZRMJK-XQJRBRMLSA-N 433.892 0.326 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1783868587 IIMQDMLEMPIVCH-QKLQHJQFSA-N 426.897 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1784064369 AJDXOBZZDFQHSA-BVGQSLNGSA-N 425.848 0.053 50 20 ICGD COc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784083700 FZZYXYRAYJEEAR-RUGDWHBFSA-N 426.897 0.653 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373210 CQIXLUYSWXZZOK-MDZRGWNJSA-N 425.917 0.304 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784584631 PSXRJRBLWPXITM-QRQCRPRQSA-N 441.488 0.600 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C[C@@H]21 1788609797 KXFPHSATAVQJPH-AJNNRKIQSA-N 439.875 0.203 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1)N1CCN(C)CC1 1789872850 YLAUORQOWUYSAD-DRCYAFTPSA-N 449.423 0.838 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccc(-n2cncn2)c1 1790247322 RFIHTQHZEKVBJC-DKIMLUQUSA-N 433.896 0.460 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793106374 FWYFYFWGCAYMLV-XLWJZTARSA-N 433.933 0.500 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793109740 OICAMTWKDALWQS-YLNRQTRUSA-N 449.464 0.164 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2cccnc2n1 1796188940 CTSQKDGGSKGUFK-REPLKXPHSA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1Cc2ccccc2CN1 1796189171 GMANGVYCXVNJSH-LRSLUSHPSA-N 433.317 0.333 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccsc1)C2 1797749845 YOXDJUJSUYTVOY-SGLKITHBSA-N 441.513 0.663 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1798440197 GBZZLAFRDSAMNQ-YDOXXCSQSA-N 427.509 0.409 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2 1798471352 WSZLOIMJRHTGHK-XGUBFFRZSA-N 433.299 0.904 50 20 ICGD COc1cc(C)c(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799827858 NMNQBLYFMSNUKB-FAQVEIGNSA-N 446.548 0.888 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1800638255 VTZOYKIHDWAEMZ-LMLFDSFASA-N 432.344 0.957 50 20 ICGD CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cl)COC)ccn1 1800978442 FZXWHPRDAYZVLC-IVSAIRAKSA-N 439.896 0.715 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C2 1802343827 LRDXVWSGFFNDBP-MUJYYYPQSA-N 439.557 0.912 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803142993 QDWMAMPZPPYZAI-IIAWOOMASA-N 427.958 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C(=O)c1ccco1 1804320273 AFEHFTKSWXJJFO-PXNSSMCTSA-N 447.256 0.557 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1CCOCC1 1806696551 BWVWDVDAYVWFNY-PZJWPPBQSA-N 437.305 0.508 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](F)Cl)[C@H]2c2cccnc2)c(=O)nc1O 1808320386 ZEBVKTZDNUNXMA-FVQBIDKESA-N 437.859 0.893 50 20 ICGD O=C(COc1cccnc1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975119 UPODIZUDJSMCCB-UHFFFAOYSA-N 437.305 0.685 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810234391 JRPIGBMLKXAKQX-SYAUCNOPSA-N 425.917 0.395 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1813072220 BUVOBMDDWKZKFZ-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474150 NOVQFVZOAOYLSY-SOVGHPHASA-N 428.298 0.802 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(F)(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826390235 DJLVHQWTKSALFZ-JTQLQIEISA-N 429.641 0.880 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1830455930 AWWNRXHDVOSKAC-GHTZIAJQSA-N 435.908 0.547 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534523 AWSQPYJTKIITCV-RKVPGOIHSA-N 431.327 0.512 50 20 ICGD CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830537570 KOZZEOMIKJCACI-CRAIPNDOSA-N 434.375 0.862 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1830719736 JFZZZHZQELNYIS-JXXFODFXSA-N 426.897 0.441 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830736983 CATIOJCSJZKRCB-YLJYHZDGSA-N 439.896 0.315 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1830738893 WMYAKKHMJBHMDV-FCEWJHQRSA-N 447.315 0.430 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410297 GKABENGKLHBMTR-SJCJKPOMSA-N 445.314 0.369 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833903005 YVBOBLUWQBJVKO-YVEFUNNKSA-N 445.314 0.594 50 20 ICGD Cn1ncnc1C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421110 GCPXIYRLRRNJPS-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1835833486 ISQNDPNGAFHAOB-KRWDZBQOSA-N 441.649 0.002 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n1 1836065771 ATVAITQXLGQLHI-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837715041 SUSCRMOXMKGWFK-SFHVURJKSA-N 440.529 0.844 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837717563 GMTXIWFHOMCLJF-FQEVSTJZSA-N 427.618 0.780 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949690 STHLRZJSLCJATF-RDTXWAMCSA-N 426.857 0.262 50 20 ICGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838118444 OTJJKAXACZYEEP-APWZRJJASA-N 437.859 0.872 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839147353 NYWQLICXKAWSNH-DJJJIMSYSA-N 428.869 0.891 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839153844 TUDVWFPYYCGNMH-IRXDYDNUSA-N 433.292 0.076 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198066 RNQFLAVELJXIJL-MLGOLLRUSA-N 449.277 0.189 50 20 ICGD COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)CC1 1839895838 YFHNWPBJMOGDPK-CXAGYDPISA-N 447.326 0.427 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031437 QBIUSIMIDUXFDM-CRAIPNDOSA-N 443.342 0.740 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840153293 JRAXHUDROBJWTQ-BEFAXECRSA-N 427.885 0.414 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841351139 GYJNJNADOGHTPL-KKUMJFAQSA-N 445.944 0.407 50 20 ICGD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(C)=O)C1 1844693393 ZRGXPSLSLIRAJM-UHFFFAOYSA-N 434.405 0.693 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C1=COCC1)C2)NC(=O)NCc1ccccc1 1845039524 XWEKNHZQSWBFIC-UHFFFAOYSA-N 427.505 0.840 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cc1O 1846385672 HECCALMHCVTFKZ-UHFFFAOYSA-N 431.493 0.541 50 20 ICGD O=C(COC(=O)Cc1csc(N2CCCC2=O)n1)NNC(=O)c1cccc([N+](=O)[O-])c1 19476237 QGWJSSWTYCKZAE-UHFFFAOYSA-N 447.429 0.725 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 21189836 COZIDTIMJKSVSN-UHFFFAOYSA-N 429.495 0.535 50 20 ICGD Cc1ccc(CC(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725872539 YOQYFUDCNCENMY-UHFFFAOYSA-N 427.461 0.446 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1 731574454 YGDGXXDOQHGUSR-UHFFFAOYSA-N 430.417 0.850 50 20 ICGD Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 735117086 APJKGRCWKXKPOZ-UHFFFAOYSA-N 449.493 0.573 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)C[C@@H](C)O1 740746105 JPCUKUCXXZWQKF-VXGBXAGGSA-N 431.478 0.908 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)[C@@H]1COc2ccccc2O1 741742770 JOXNHHUOTVNZGC-BBRMVZONSA-N 427.417 0.164 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743823469 PELDOGRSPMMJNI-SRABZTEZSA-N 431.518 0.623 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 746495576 BEFWQPAVUBJQJH-IBGZPJMESA-N 437.884 0.420 50 20 ICGD O=C(Cn1ccc(O)nc1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 751266513 LYSVMCJMYOCQIQ-UHFFFAOYSA-N 431.412 0.658 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 755545790 KAMPDUWVHBERFM-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)cc(F)c1F 755974700 MJWKBLVMNGPFHF-UHFFFAOYSA-N 431.329 0.989 50 20 ICGD C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756089334 DPRRJVVCRIUAPM-QWHCGFSZSA-N 425.511 0.792 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1 756615574 DNTIISBUPWFUPJ-UHFFFAOYSA-N 431.474 0.689 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 756839426 FKOUPYOSWKLABD-MRVPVSSYSA-N 442.889 0.284 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 756862085 AAFMJIKKIOVKKG-GFENJXEQSA-N 432.477 0.968 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 757872232 WPPFYFUBQBCSBL-GHMZBOCLSA-N 440.469 0.396 50 20 ICGD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 761890742 AFXKMEAGCMEDLC-MRVPVSSYSA-N 426.860 0.236 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1OC 763910275 BAOSCYTYGASBDC-UHFFFAOYSA-N 439.432 0.859 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)CC(F)(F)F 764114594 DNUDQHSTJPMXMZ-UHFFFAOYSA-N 431.415 0.875 50 20 ICGD CN(C)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 764203975 QNWLGLCVKXWPIV-UHFFFAOYSA-N 435.481 0.779 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 764233356 VNANZJJILYLYJL-GFCCVEGCSA-N 442.563 0.886 50 20 ICGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc21 764275064 IMMGCCIQLGQKFF-UHFFFAOYSA-N 441.444 0.649 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2n1C(F)F 764813251 WKXLULOYHJUNLW-UHFFFAOYSA-N 444.402 0.719 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 765247971 FARQLKIMDCJPPE-UHFFFAOYSA-N 446.470 0.357 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 766885865 YTJOHDVCPPYCIM-RXVVDRJESA-N 443.592 0.997 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(OC(F)F)n(C)n3)CC2)cc1 767249768 VKBOVUCUPBDPFD-UHFFFAOYSA-N 436.463 0.909 50 20 ICGD COc1ccc2c(c1)nc(CNC(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)n2C 771402874 VICHYLRZNVCINC-UHFFFAOYSA-N 435.444 0.973 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)c2ccccc2c1=O 772630036 IJBCJNXXPWXDSM-KRWDZBQOSA-N 449.533 0.628 50 20 ICGD CN1CCc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 778283911 QBOMCMDCQMNSIT-UHFFFAOYSA-N 444.513 0.775 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782894092 KZTHFNYWCOYYOU-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782964272 BPDOHPCMPDQQGV-UHFFFAOYSA-N 426.477 0.843 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1C 783264471 RBLBXQVHAFWZHC-UHFFFAOYSA-N 449.489 0.945 50 20 ICGD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999047 JIWPBTLDOPMLGI-QGZVFWFLSA-N 438.488 0.826 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784212980 IZKZRXHRYVDUPC-UHFFFAOYSA-N 445.501 0.959 50 20 ICGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccccc2S(N)(=O)=O)c1 788229188 VHZJQEZTRRNIMO-UHFFFAOYSA-N 432.911 0.995 50 20 ICGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(C(F)(F)F)c1 792029611 XXXOBUJPPSMRNB-MRVPVSSYSA-N 443.425 0.273 50 20 ICGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NNc1cnnn1C)n2CC(C)C 816769635 PZGAKUQTAUPFRM-UHFFFAOYSA-N 431.501 0.959 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(OC[C@@H]3CCCO3)cc2)c(=O)n(C)c1=O 839409977 AXXIBZMJSTVCGT-HNNXBMFYSA-N 433.490 0.279 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccccc2Br)nn1 914719735 PCQTULINJKBMHA-VIFPVBQESA-N 428.268 0.226 50 20 ICGD COc1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 914763107 NHRCARIZIGHJIM-UHFFFAOYSA-N 449.489 0.800 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCN(C(=O)OC)CC2)nc1 920051270 DBGXCQCHCTXGDE-UHFFFAOYSA-N 428.515 0.969 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCC2CC2)o1 920859026 RNPAFMXFKPKBSG-GFCCVEGCSA-N 428.467 0.350 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 920930491 KMQJSIYOFGPDCU-UHFFFAOYSA-N 427.417 0.979 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 933650075 YFXGZQXZOLLNMR-UHFFFAOYSA-N 433.424 0.771 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1322207016 FNKKMPUOUNUPKH-HNNXBMFYSA-N 432.502 0.782 50 20 ICGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cn1C 1778285242 DMHCWLMAJVKVCW-NFBKMPQASA-N 439.321 0.455 50 20 ICGD C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779034649 READIJVQKWYPIN-QGZVFWFLSA-N 427.383 0.247 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780404873 WMKVEJLNFMTEGG-QFIPXVFZSA-N 448.568 0.843 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)no1 1781330954 IYFNNDLOAQWGAT-ZBFHGGJFSA-N 447.261 0.832 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1782179732 MHRIZUOMUZKZRQ-ATNYBXOESA-N 436.958 0.331 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782565703 XDNLESPBFPSMCY-UZLBHIALSA-N 439.944 0.416 50 20 ICGD COc1cccnc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086268 XLHUXGSGCRYYCS-DNUAJFIVSA-N 425.913 0.602 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784174548 DOZBQCVMXGJOFB-CNPYVQQSSA-N 431.827 0.782 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784503429 ZKZXLTLRBINPAW-AKGDVTCISA-N 445.520 0.691 50 20 ICGD CC(F)(F)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784635797 HPHCOLYJDYKPEL-XIRDDKMYSA-N 438.280 0.641 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 1785681257 HDOSLKHWVUJJOJ-DEOSSOPVSA-N 449.511 0.544 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787447723 FBYJWAFNUBRRBM-STECZYCISA-N 442.871 0.963 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)Cl)C[C@@H]21 1787508216 QPCQFGUXUGABIG-QGMKZSGCSA-N 445.854 0.932 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21)[C@@H](F)Br 1789922911 NTRFWJLZSNLOMU-PRLGWJNPSA-N 433.234 0.172 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1791057956 MTJPYYHSBCTIGF-ABHRYQDASA-N 442.310 0.773 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791666392 NEWRZTWONFVELL-OEAJRASXSA-N 427.343 0.973 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796189665 NCDLHFHXVTZSGN-XQVSHANSSA-N 428.294 0.208 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797893740 VMOJBKFQTXDYPN-XYEHJBINSA-N 439.896 0.295 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nncn2c1 1798123715 OBGSSMKSYONXFX-QDMKHBRRSA-N 434.460 0.293 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2 1801011582 UUOQUNMTZFZESM-CWPLJXCYSA-N 428.493 0.139 50 20 ICGD Cn1nccc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805719428 CDGNXOBOBYKGML-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD Cn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805890290 USKZQYJXACNNLI-MJGOQNOKSA-N 433.277 0.128 50 20 ICGD COc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cn1 1806333673 PNEFQWICYJJGBG-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD Cc1ccn(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807363052 NVESQUGSCHWNSL-SIKLNZKXSA-N 447.304 0.286 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068514 NQLGAEUUADRTHA-LVCYWYKZSA-N 446.552 0.375 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1813070278 GDLFMDNXMATMMT-IERDGZPVSA-N 441.488 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1813072599 FXAGSVKNKCSFRQ-KKSFZXQISA-N 443.504 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](N)c3ccccn3)sc2C1 1815022912 WNYYQBZGXYQPFE-KPZWWZAWSA-N 445.549 0.523 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817125894 ZHDVVBAALJARCE-JVXZTZIISA-N 426.861 0.902 50 20 ICGD CC[C@@H](NC)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817460290 ACHIBFPFPNLYJC-ZBFHGGJFSA-N 428.497 0.712 50 20 ICGD CC(C)N(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474537 BMQZYRAIKWKUJT-GOSISDBHSA-N 427.314 0.736 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ncccn2)[nH]n1 1819401976 YTUCKNGYNMYJPU-MRXNPFEDSA-N 449.475 0.747 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819449067 KGNAKONUZSIFGC-PLQHRBFRSA-N 444.330 0.836 50 20 ICGD O=C(CCBr)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819880126 JVFHPEDZXITFFH-BMIGLBTASA-N 447.355 0.491 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cnc(O)[nH]2)CC1 1829339077 QYOKRTGTDHYAIG-GOSISDBHSA-N 426.282 0.342 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccoc4C3)C2)C1 1830719737 JFZZZHZQELNYIS-QINHECLXSA-N 426.897 0.441 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725176 LUVXNTNTPIKPHY-RDTXWAMCSA-N 432.304 0.334 50 20 ICGD C[C@@H](Br)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831165968 TXXWOUIBTYSDBH-TZMCWYRMSA-N 446.342 0.933 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1831651949 URPCVNWWTFCLKY-TXPKVOOTSA-N 433.933 0.001 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312922 MIERXONPLULBDO-QAPCUYQASA-N 425.961 0.691 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833739826 NXHWRNRZFPOEPZ-GTNSWQLSSA-N 447.305 0.965 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1837138445 GOMNRARUMNMGCQ-YCRPNKLZSA-N 449.891 0.909 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n[nH]1 1837585296 OALWCQOMBRMSRJ-KRWDZBQOSA-N 429.315 0.502 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839148006 JORBEODYLXMBED-SCLBCKFNSA-N 428.873 0.035 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839155602 YWMQLXYIEJCJHE-ZWKOTPCHSA-N 447.319 0.548 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1C[C@H]2C[C@H]2C1 1839199959 ATDUFXBVJMWTEG-VPKNTQAGSA-N 448.333 0.474 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840154162 NQJKYXJPUPMTPA-SJCJKPOMSA-N 430.845 0.247 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840185500 RUCUWEMZKQRMFV-QFIPXVFZSA-N 432.521 0.438 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC=CCC1 1840554477 YKVFAKYJXJCEFJ-PKTZIBPZSA-N 442.321 0.183 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841212018 LLUIVPYGOUKVKC-AWEZNQCLSA-N 425.530 0.476 50 20 ICGD O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350352 XBRKLNORZUHWPN-CQSZACIVSA-N 442.299 0.869 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1841925273 HBKRCISTGRUXFE-KGLIPLIRSA-N 442.944 0.848 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc3c2OCCO3)C1 1843721539 LDNWZJDMVJOIAI-UHFFFAOYSA-N 437.456 0.587 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)c2n1 1844667924 HPUVDQIQACXVBU-UHFFFAOYSA-N 428.493 0.762 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1844692292 HPLZFBOCAUZKPH-UHFFFAOYSA-N 444.448 0.177 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN)C(C)(C)C 1847704655 BQVOOTPFVQBUNT-YESZJQIVSA-N 430.509 0.051 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)n1 15403121 FUJIWXWQHPQKRV-UHFFFAOYSA-N 437.547 0.454 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1OC 725873136 KPXLXLCLMNBRRW-UHFFFAOYSA-N 449.489 0.951 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 726293663 ZKEYMKXYAWUYEN-UHFFFAOYSA-N 426.252 0.388 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=S)NCC2CCC2)c1 727867017 LGSDTMKQGSHZGP-UHFFFAOYSA-N 429.568 0.174 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC2CCN(C)CC2)cc1 728752447 MEGYIUDAQZJKCD-UHFFFAOYSA-N 425.555 0.678 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 729258108 BQWACHFUYYWNSN-INIZCTEOSA-N 425.445 0.798 50 20 ICGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 729339812 BPCWBWKYZBBSKV-LLVKDONJSA-N 437.503 0.002 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1Br 732032831 IFCPYGQIJXFDAN-KRWDZBQOSA-N 439.266 0.939 50 20 ICGD C[C@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCN1C 745859204 ZCZROYZJXGLVER-GJZGRUSLSA-N 425.559 0.127 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746095891 HCMKSPNIFONXIE-JCKDKFELSA-N 439.472 0.297 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Br)s1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746100262 IGZRDYVOUDDBIV-GANOUAKVSA-N 442.291 0.823 50 20 ICGD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)C(=O)N1CCCC1 748246489 AKRYPRSSIUZBJE-UHFFFAOYSA-N 425.470 0.895 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)C2)s1 748246986 HCOUEFMTAJYTFU-ZDUSSCGKSA-N 428.536 0.227 50 20 ICGD CCCOCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 748834536 LSGXERNIXGXFIE-OAHLLOKOSA-N 443.522 0.527 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 751199861 TYZVAYJUQSCRNC-LLVKDONJSA-N 426.476 0.072 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 751201853 MFOFIPOHTOPSOR-UHFFFAOYSA-N 426.476 0.317 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1OC 756529438 QEJURTLFCRXZAR-MRXNPFEDSA-N 430.461 0.839 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 758039900 MODKUGYRRKSTCM-JTQLQIEISA-N 425.488 0.885 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 758050217 AAJWCAGULBRLPH-PSASIEDQSA-N 437.305 0.431 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl 758050704 CJLRHJGOXZIERB-MRVPVSSYSA-N 432.911 0.370 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1CCN(S(=O)(=O)CBr)CC1 758512220 JRTIGFOCJCPWSD-UHFFFAOYSA-N 444.348 0.354 50 20 ICGD O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(S(=O)(=O)CBr)CC1 758517218 HZZJXBSJRLIEQP-ZDUSSCGKSA-N 436.372 0.994 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)c1 758825477 RESWDSTVTGDMDQ-HNNXBMFYSA-N 442.432 0.173 50 20 ICGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 759521429 YARZAEXLKVHAFM-CQSZACIVSA-N 437.522 0.770 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)c(OC)c1 761269532 BWPHPVVYVFAPAW-UHFFFAOYSA-N 438.487 0.952 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763573069 XBBZQEPAFPHIMH-GOSISDBHSA-N 438.440 0.813 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763823183 BAZSPEHWKJTSSX-ZDUSSCGKSA-N 445.863 0.674 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1S(=O)(=O)N1CCCC1 764065801 BNUXWQVSYZDVBA-UHFFFAOYSA-N 438.506 0.756 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 764226227 GOIDWJNDWNERCK-CYBMUJFWSA-N 440.522 0.560 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 764398994 JAGSTSVEPGVHPY-HZSPNIEDSA-N 440.472 0.577 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002898 WSIVFUNKMGPZGL-UHFFFAOYSA-N 429.433 0.278 50 20 ICGD CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784004470 OHTUFSWIZMIEPQ-UHFFFAOYSA-N 445.432 0.430 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 784005116 PBNCNJMVTYKEGR-UHFFFAOYSA-N 438.849 0.689 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 784834834 AZJCOHXGFZGWBA-UHFFFAOYSA-N 445.404 0.675 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCc1ccc(Cl)cc1 787432711 VFFPFGFJQHUWOH-NSHDSACASA-N 442.929 0.888 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)(C)n1cncn1 794525199 VOUQEPJVRWKRFP-UHFFFAOYSA-N 447.565 0.820 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795838681 YIHLZSIYISRWMZ-APPDUMDISA-N 435.399 0.743 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)cc1Cl 801068645 BOPOQFGEUKTMAJ-UHFFFAOYSA-N 435.890 0.773 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 802064942 GWZNRVGZTMDKQJ-UHFFFAOYSA-N 429.462 0.905 50 20 ICGD CC(C)CC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1 811677580 CWLXXDDEQNNDGG-UHFFFAOYSA-N 434.540 0.398 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNc3ccccc3)C2=O)cc1 823328053 YQCDFZIMVHBTAZ-NRFANRHFSA-N 425.445 0.722 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@H]1COc2ccccc2O1 913416827 WCWGWLCMWRDZSM-QGZVFWFLSA-N 437.449 0.872 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 914749054 YHBWTBYSPNJFGD-UHFFFAOYSA-N 437.474 0.757 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 915077115 BTJRAFNURXOORN-UHFFFAOYSA-N 443.478 0.359 50 20 ICGD O=C(NCC(F)(F)F)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 918707096 QPADDHMQLSAKTC-UHFFFAOYSA-N 444.819 0.867 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2ccccc2c1=O 1251338908 VKORALFPESNMTP-CQSZACIVSA-N 430.424 0.619 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 1322678707 CBTNBNNSEVFMLZ-AWEZNQCLSA-N 437.547 0.508 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)c1cc(O)nc(O)n1 1778018641 XLRZNFSGBYCRMA-RSAASHCRSA-N 447.261 0.706 50 20 ICGD Cc1c[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778199218 LZYBIKXGLJENPJ-DENIHFKCSA-N 425.294 0.444 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779206394 KFQZOYAJIVPGTO-YVEFUNNKSA-N 425.283 0.633 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)N1C[C@@H]2C[C@H]2C1 1782214841 NHTMDJWJORQIIL-YXFNAXCISA-N 449.596 0.214 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1783873711 SRPDNOYSRGAJRJ-MAUKXSAKSA-N 445.925 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1783882097 VDXQBVHDBYVKTD-LIRRHRJNSA-N 433.933 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3occc13)CCO2 1783933669 CGQQIAHKKLICFA-NRFANRHFSA-N 429.477 0.644 50 20 ICGD COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783936688 RHVOXEIYDDOBFI-HSZRJFAPSA-N 446.548 0.831 50 20 ICGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404423 PCELUBKQPTTWQW-OBJOEFQTSA-N 429.315 0.807 50 20 ICGD C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1791276470 KCOKGZUSFGNHCM-UFYCRDLUSA-N 443.548 0.888 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792979759 FOFVDSHANNMWNP-VAECKANCSA-N 429.832 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2)c1ccc(B(O)O)cc1 1795734995 GNFZFOUFKMPOJB-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccoc3c1)C2)c1cccc(B(O)O)c1 1795740674 JYBJPWOJDRMFKN-RMFSNUHRSA-N 434.257 0.630 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1snnc1C1CC1 1796189065 SFQYEIPLWFJODT-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2)[C@@H](F)Cl 1796371294 UGQLITCXRZMNDR-JGTCGTHISA-N 435.839 0.854 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439465 GNCREHJCRNXMLZ-UMHALCLHSA-N 433.509 0.117 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)on1)C2 1796446345 SLXCHRPMGPQNML-BHTPPFENSA-N 442.476 0.249 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2)[C@@H](F)Br 1799347397 JPSGUVDJSXXRTF-OTMMVIPVSA-N 435.225 0.676 50 20 ICGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)c2c1CCC2 1799347864 VTIUWFLLPPGRDZ-YJKIEOBBSA-N 429.290 0.803 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CCC1)C2 1801013404 SQSUSNQZRARXLA-YWVIFJGQSA-N 434.459 0.682 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnc1 1803308415 OILMADWIBQGJML-OZOXKJRCSA-N 447.304 0.539 50 20 ICGD Cc1onc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1C 1803888966 GRGYABREILCWKC-RXVVDRJESA-N 448.288 1.000 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807362447 HBOYHWYVRGIUOC-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298256 HGROQCPDZLUTEB-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD CC(C)(O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814338245 MLYVYMVZOVINTC-SNVBAGLBSA-N 432.506 0.528 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(F)n1)CC2)c1cccc(B(O)O)c1 1815361060 VDKWEINBORBMGZ-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD O=C(CCc1cnc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815823369 BQMJHQHKVYVVCJ-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[nH]n1 1821942632 FULJCVPTSWUWQJ-UPVZUOOXSA-N 442.480 0.672 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829867866 ZWRPKRJEIMKREA-MPGHIAIKSA-N 448.358 0.531 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056781 UENFFCCIDWAOSU-MNQDVBFDSA-N 444.492 0.127 50 20 ICGD COc1cc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738574 QCODYKPKIGVZRL-OXQOHEQNSA-N 426.897 0.673 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1ccnn1 1831175070 WLSFMJRKYVGXHE-JXFKEZNVSA-N 439.325 0.452 50 20 ICGD Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)nc1 1834263968 MYIRTUZYBSGTLK-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1834976250 MUXOPKCGXJWCOR-ZXSWEOGUSA-N 435.427 0.975 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835647629 GTHASKWIRHJNMF-OAHLLOKOSA-N 437.360 0.245 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cnn2c1 1836947710 PGQZZHVCROPJKK-KBXCAEBGSA-N 425.848 0.642 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827912 CLBWUYUZFFUJBZ-ZBEGNZNMSA-N 445.270 0.776 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199039 HORJSOJGFHTJDQ-ZWNOBZJWSA-N 447.204 0.243 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840030649 RJJZCEVSLYYOES-BEFAXECRSA-N 446.386 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840036769 QYTKUFZJEMYOJV-UGSOOPFHSA-N 442.310 0.570 50 20 ICGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188726 YYLVKRQOMYKXCN-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193366 FCINDJRLRCYMPN-XHDPSFHLSA-N 439.328 0.044 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840490322 YETRMFPTUVSJJQ-KDOFPFPSSA-N 443.342 0.994 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(C(F)(F)F)n1 1843011489 IGHTWJLWCGDJOP-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1846070968 OFJMXFJTFRFDFE-UONOGXRCSA-N 433.299 0.858 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(N)=O)cc2)C1 1846769945 FLSOWGXPGKFYLY-AFUMVMLFSA-N 436.472 0.737 50 20 ICGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 110757285 MYAXWNWTUNAQFQ-UHFFFAOYSA-N 445.563 0.837 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(OCC#N)cc2)c1 727942594 RQCBCASQNKYUEZ-UHFFFAOYSA-N 431.474 0.983 50 20 ICGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)CCc2ccccc2O)c1 729965417 YVPQAMLILQIBRL-UHFFFAOYSA-N 436.442 0.908 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1cccc2ncccc12 732473768 AENZCDCULOUCIX-AWEZNQCLSA-N 435.506 0.667 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3cccn3)cc2)CC1 735116629 AHHPTFSYNAKWFT-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 738477557 OETORYVULHFWIZ-UHFFFAOYSA-N 434.465 0.798 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2cc(Br)ccc2=O)cc1 743831425 WPVOHXLDNLZYCI-UHFFFAOYSA-N 443.279 0.867 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 746338674 FUJDPIZKDUSEHO-SNVBAGLBSA-N 433.343 0.857 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 747602196 OQMCKLYSNDDAAZ-MRVPVSSYSA-N 427.298 0.202 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4nc(O)n(C)c4c3)cc2)CC1 752144313 VLFRVLBKNWXGBO-UHFFFAOYSA-N 444.517 0.972 50 20 ICGD Cc1oc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1S(=O)(=O)N(C)C 754015397 UAQHNGUJQCURAB-UHFFFAOYSA-N 433.446 0.804 50 20 ICGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758821275 LXOHNLLWKQLRGO-NSHDSACASA-N 431.836 0.883 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(c3cccnn3)CC2)nc1 759597027 DPCMITZKTLCRTH-UHFFFAOYSA-N 434.526 0.853 50 20 ICGD CCCCCCOc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 759622410 QFBSMAURRXVLMV-UHFFFAOYSA-N 440.566 0.984 50 20 ICGD COC(=O)c1cn(C2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 759890313 QYZZVOJUACULEA-UHFFFAOYSA-N 431.409 0.071 50 20 ICGD CNc1nnc(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)s1 759954719 HGWQEBHSKJAFRY-UHFFFAOYSA-N 437.957 0.741 50 20 ICGD CCCOc1cccnc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 760830714 GVFKHGBKLSFHJQ-UHFFFAOYSA-N 434.522 0.958 50 20 ICGD Cc1noc(C)c1CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 762556754 QOWDAABYYOSSDJ-INIZCTEOSA-N 426.437 0.913 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 763550261 BOMXUARJCGVBCM-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 763618621 DPQHEFIDQGGZQT-UHFFFAOYSA-N 446.485 0.700 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)ccc21 763745603 GYQNWDZLEXUHJZ-UHFFFAOYSA-N 436.472 0.416 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1-n1cnnn1 763943947 GYYHYFOUPNTBAF-UHFFFAOYSA-N 447.415 0.262 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764167246 IAOAUTYOXHEOSP-QGZVFWFLSA-N 447.469 0.200 50 20 ICGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764182393 MEBCASLZVJYCAP-UHFFFAOYSA-N 441.469 0.741 50 20 ICGD Cc1cccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)CNC(=O)c3cccnc3)C2=O)c1 764345803 WLTIGWLFIADFNR-MRXNPFEDSA-N 438.444 0.172 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CC[C@H](C)C2 764426398 ULFHCYVPPQAEGN-JQWIXIFHSA-N 439.490 0.551 50 20 ICGD CN(C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)c1ccccc1 764433414 NFAOFIOUHCVBBR-SFHVURJKSA-N 440.456 0.393 50 20 ICGD COc1nccnc1NNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 764470628 IKRRVALAMXYKQO-UHFFFAOYSA-N 434.478 0.095 50 20 ICGD O=C(NNC(=O)N1CCN(c2ccccc2)C(=O)C1)c1csc(N2CCOCC2)n1 765192152 FNFHNBSZFZZTNH-UHFFFAOYSA-N 430.490 0.683 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCC(=O)OC(C)C)cc1 765904663 AWNFLINWQOKGQE-UHFFFAOYSA-N 428.511 0.678 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2csc(S(C)(=O)=O)c2)cc1 766320102 MFYJUJVVZIPDFL-UHFFFAOYSA-N 445.544 0.542 50 20 ICGD O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 766639568 FDIMQQRTSSEHCA-ZDUSSCGKSA-N 425.463 0.328 50 20 ICGD CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)n1 766913622 CNNCDZGJKGYVHK-KRWDZBQOSA-N 444.536 0.983 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCc3cccc(OCC(N)=O)c3)nc21 770400769 RJXONUZTJGMMQI-UHFFFAOYSA-N 428.453 0.977 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 772971448 LNVYZBDZOHZZQR-JTQLQIEISA-N 440.865 0.541 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 773526214 YLCUEUZBCJTHSE-UHFFFAOYSA-N 436.476 0.821 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 773992532 PPQWMDWXBOYZNY-UHFFFAOYSA-N 449.537 0.998 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 774945903 LSULTKNAUOGYDX-KHDYIWLOSA-N 428.397 0.746 50 20 ICGD Cc1cnn(-c2c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2C)c1 778552551 KFBFGMGHWUBIEW-UHFFFAOYSA-N 441.404 0.749 50 20 ICGD CCNC(=O)N(C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 780707899 BWRGYNKEPOOFFH-MRXNPFEDSA-N 428.511 0.843 50 20 ICGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)s1 784003755 NSFATGPTSDDNLN-UHFFFAOYSA-N 446.514 0.879 50 20 ICGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2C1=O 784696627 YZIULUJVGUFZAT-QGZVFWFLSA-N 430.486 0.567 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1=S=C2CCCCCC2=C1 786414367 MNLPMSPIVKWFMV-UHFFFAOYSA-N 433.490 0.665 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787902315 WIGVXQWJFFADIU-UHFFFAOYSA-N 441.330 0.832 50 20 ICGD O=C(COC(=O)c1ccc(O[C@H]2CCOC2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 789198808 HAGQVOLADVBJTP-LPHOPBHVSA-N 442.424 0.999 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)Cc1cn2ccccc2n1 793216492 HTVVBXNRTFGBOC-UHFFFAOYSA-N 439.432 0.165 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)C(=O)C1=O 802041108 WIQUXUZVQSLZPO-UHFFFAOYSA-N 446.689 0.946 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNc3ccc(-n4ccnc4)nn3)cn2)C[C@@H](C)O1 806327014 YJSHRYUJXANTBC-ZIAGYGMSSA-N 440.468 0.643 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(C)cc1Br 806979769 DNTZFHGIRVRCGH-GFCCVEGCSA-N 444.238 0.045 50 20 ICGD Cc1ncc2n1CC[C@H](C(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)C2 810341027 BIGBVNVVSMKMKL-INIZCTEOSA-N 432.550 0.833 50 20 ICGD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 810580871 ITDLMTLSIVYPRQ-QLFBSQMISA-N 444.554 0.787 50 20 ICGD COC(=O)c1cc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C 816688047 AUNDRSKYQLIREU-LBPRGKRZSA-N 434.474 0.691 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 817055063 KNPRGKZMLMMWNX-UHFFFAOYSA-N 447.448 0.881 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2ncncc2F)o1 817078620 MYDCOEBIALQXQV-LLVKDONJSA-N 427.414 0.682 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 848979949 YFQCDELAOUTYCK-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 856546464 PQILHYGYCLKKLL-OALUTQOASA-N 441.532 0.521 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nc1C 914878661 OAACVIOBTDJRCU-UHFFFAOYSA-N 448.501 0.957 50 20 ICGD O=C(NNC(=O)c1cccc2ncccc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1322563245 QIPTZGHTMZVUIL-LBPRGKRZSA-N 429.458 0.161 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(=O)n(CCOC)c2)c2ccccc2c1=O 1337782622 OEPAKPZMEKUINY-UHFFFAOYSA-N 426.433 0.691 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1779031289 QMMJIDDXDCBEND-QFIPXVFZSA-N 439.472 0.208 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779060782 KZUGCFHBGQFNPX-OGHNNQOOSA-N 426.315 0.890 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)CC2)CC1 1781107915 IROZQIPRZJAYGT-PBHICJAKSA-N 447.349 0.287 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1F 1781674185 XKGRSOWOCCZLLZ-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(F)(F)C1)C2 1782210310 OGLJMUOLGPXDAR-DNVCBOLYSA-N 430.496 0.919 50 20 ICGD CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782864547 NZYUEYDWFAFUTP-NMQRCDEWSA-N 432.427 0.790 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783349460 MDPMKMVPBWCXQO-LRDDRELGSA-N 435.388 0.474 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783354070 MWECMTNXYJFEKI-WFASDCNBSA-N 425.345 0.425 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@H](O)CCl 1784090341 ADIZRWSNYFNUMN-PLYYQAHHSA-N 448.907 0.359 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784219579 KWABLHIZQSDZML-VAASLMRASA-N 427.841 0.780 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H]2C1 1785758986 WXPCSTINSUGSMP-IEZWGBDMSA-N 446.552 0.114 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c[nH]nc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979805 IJDILFHTGWYAKG-VDGAXYAQSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984324 DCUKUBLXCJUECI-VDGAXYAQSA-N 448.288 0.101 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccoc4cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786985140 NPJPRBJLZRHOMD-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786986567 LQISDIQWVXQVRM-AWDZXFJFSA-N 448.328 0.690 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788637846 FVZSGBMPOSMLBI-IECFSIQFSA-N 446.928 0.868 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)cc1 1789575678 NIXORBDCRYFQSN-VDGAXYAQSA-N 426.253 0.413 50 20 ICGD Cc1ncc(Br)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975874 AUMJMEVTRTXHFX-BAESOJJISA-N 446.729 0.955 50 20 ICGD C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1792978142 GBTYQGFGCNEIHU-XYFZXANASA-N 433.933 0.479 50 20 ICGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1CSCSC1 1796188787 QWIOXDJXCGAMPY-NKGKWGDASA-N 449.407 0.661 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(-c2ccccn2)[nH]n1 1796191908 OCJPYVPBWBDOBN-BCDXTJNWSA-N 445.288 0.717 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1)c1cccc(B(O)O)c1 1799930504 XRAVSJQWGFXABS-XCZFOBESSA-N 439.321 0.019 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1 1803652070 DWQFWVBAHWFYSW-YILSLVNCSA-N 437.280 0.973 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806131220 UVNGTCASVCVFQI-CQSZACIVSA-N 430.509 0.041 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2csc(N)n2)[C@@H]1c1cccnc1 1807241304 QWLKZEZWSRTLFU-KSSFIOAISA-N 445.549 0.813 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360442 BTZWCZVMNWLSRK-NQIIRXRSSA-N 439.321 0.896 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807363978 RMUDMYRWUFXUFZ-DYESRHJHSA-N 449.276 0.015 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303273 SUWXBORJCIASNY-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD CCc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1811000138 RQNHQGPFLXBNTL-DYESRHJHSA-N 448.288 0.945 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713889 YEGHRJDPPGMQAY-PKOBYXMFSA-N 440.972 0.639 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813072359 ATWKGOVZVWAMHA-LAUBAEHRSA-N 442.524 0.142 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1819591982 RWKCQUGMSVAWIW-CYBMUJFWSA-N 436.545 0.805 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822377734 YXSYHNKPFUPMBM-CMPLNLGQSA-N 429.861 0.199 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)n1cncn1 1822416426 CZPCDEZKHJWLMU-ZFWWWQNUSA-N 431.501 0.628 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)COC1 1824911833 WPZWLOHJUWLTDH-CQSZACIVSA-N 429.307 0.475 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826377820 XVFIENLFWSQZGK-LJQANCHMSA-N 430.310 0.553 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3cnccn3)sc2C1 1826913666 QBTQXRVLWPTVKA-CYBMUJFWSA-N 445.549 0.851 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907260 DIULPGUOWAEFFT-WIYYLYMNSA-N 435.908 0.811 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1830358494 WOQVXKLGEMULSS-SFHVURJKSA-N 428.873 0.223 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831653913 GOOGQTSUYABHQF-OPYAIIAOSA-N 445.004 0.486 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832933577 JDUNMYXCEYKBHG-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833263589 NKKVKANEZYDSMH-ZDUSSCGKSA-N 442.362 0.276 50 20 ICGD CCOc1cnc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cn1 1833308322 RVUKPXGTPDDZTE-KRWDZBQOSA-N 439.944 0.660 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1835056593 GXIQZGGCTGHCHM-KRWDZBQOSA-N 441.649 0.856 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720548 WOWDIEHZSJKZHR-ROUUACIJSA-N 431.961 0.890 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837710045 FGLCDOQISSAMRT-IBGZPJMESA-N 429.590 0.163 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260571 UFJYTQJSZDKFHW-BZNIZROVSA-N 447.717 0.983 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839142171 IIIXPHNEZDGWGM-RHSMWYFYSA-N 429.861 0.265 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198243 AJLZMUUFSIMDOH-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202074 UIMGPGXZDGPRFT-DOMZBBRYSA-N 449.233 0.683 50 20 ICGD C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839840624 FLAUJEIGJHTJMD-ZLTYCWSMSA-N 445.520 0.789 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839962187 WWXQJHWUEYOEEH-QWQRMKEZSA-N 446.342 0.143 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031901 GPRNVRXEMVTMOA-LJTORXTESA-N 433.299 0.346 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)CC1 1840930150 XNEYKGXMYTXAKJ-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD O=C([C@@H](Br)Cc1ccccc1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084834 YHMXSCUOQHWZLT-HNNXBMFYSA-N 433.310 0.883 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2c(Cl)ccc3c2OCO3)C1 1843706076 IZUQJDZWIKQBIJ-UHFFFAOYSA-N 442.664 0.879 50 20 ICGD CN1CCc2cc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)ccc21 1844264390 NCCCFIXALNMEKX-UHFFFAOYSA-N 434.500 0.808 50 20 ICGD COc1cc(CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)ccc1[N+](=O)[O-] 1845148747 NGGSTRKDMUOXQK-UHFFFAOYSA-N 447.492 0.722 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1846385396 ATGGOIFGGSNYFL-UHFFFAOYSA-N 433.484 0.731 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847415323 CLPXWINEWAXXLY-OALUTQOASA-N 428.681 0.914 50 20 ICGD O=C(Cc1cccc2ncccc12)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847793503 KHBVJCMVTTYJTF-VXKWHMMOSA-N 429.285 0.973 50 20 ICGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 26977090 PSPOBJDNESXGTP-SFHVURJKSA-N 436.424 0.046 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 725871912 IKBMHNBTLDTEPS-UHFFFAOYSA-N 443.460 0.339 50 20 ICGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 728018121 GMFGARNINOHEMN-CUXKMMBLSA-N 429.502 0.952 50 20 ICGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)C1 728382057 CNBSNJUBTYWNEB-ZFWWWQNUSA-N 443.547 0.303 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c1 728525641 FOCJHTVZCWXUKW-AWEZNQCLSA-N 441.282 0.346 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 729171103 LMEFQBRIIXKYDW-WCQYABFASA-N 431.923 0.437 50 20 ICGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1COc2ccccc2O1 730511693 BRQONLQXAOUYCJ-KUHUBIRLSA-N 439.424 0.798 50 20 ICGD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 731050498 LQRDOZSZFLZKLH-AWEZNQCLSA-N 434.792 0.965 50 20 ICGD Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241098 CRBRJXISVGIMHH-UHFFFAOYSA-N 445.480 0.950 50 20 ICGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 739035987 SGPVZCFYCMTKDU-MRXNPFEDSA-N 439.538 0.136 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C[C@H]1CCCO1 742037668 CMKJPWBJGOTNEO-MRXNPFEDSA-N 445.480 0.839 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 743512639 XPNZVSWIFIOWTC-QRQLOZEOSA-N 446.471 0.763 50 20 ICGD CN(C)C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 746005970 GAIVBJFNCLZPAP-UHFFFAOYSA-N 436.538 0.983 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748466000 TZDLQCLMNUQTCT-UHFFFAOYSA-N 444.467 0.669 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(Cl)cc1C(=O)O 749140996 DJAVHHORVKWPCN-UHFFFAOYSA-N 447.878 0.848 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc(F)c2F)ccc1Cl 751262868 GNKYNSVNSUQKAV-UHFFFAOYSA-N 425.822 0.889 50 20 ICGD O=C(NCC1CC1)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751271808 LHZYAMORQXVDOG-UHFFFAOYSA-N 430.430 0.430 50 20 ICGD COc1cc(NC(=O)CN(C)CC(=O)NNC(=O)c2cccc(C#N)c2)cc(OC)c1 752331444 MFGKNTWNGMKYTI-UHFFFAOYSA-N 425.445 0.907 50 20 ICGD CCCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755659979 PAMMSHDAVPVGGR-UHFFFAOYSA-N 429.437 0.075 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)c2ccc[nH]2)c1 757774767 AHTOLKWDUVOATI-UHFFFAOYSA-N 436.494 0.568 50 20 ICGD CC(C)C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 758833907 KPNIEOLCFVIQCY-ZNMIVQPWSA-N 427.461 0.533 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763570382 DWAXWCKAMHDRBE-KRWDZBQOSA-N 449.423 0.269 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1C(=O)OC 763680773 VZCBFHDXNWBSJS-UHFFFAOYSA-N 447.375 0.564 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 763995306 GQKVACYQDSUAKQ-CYBMUJFWSA-N 435.506 0.643 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCCC1 764077242 NUEADRCCSARXKY-UHFFFAOYSA-N 425.511 0.279 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764110674 ALEJMKKBBAKAED-UHFFFAOYSA-N 436.412 0.900 50 20 ICGD CC(C)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764233430 WPKABCZKRBHILT-VIFPVBQESA-N 449.327 0.596 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427058 XWRUQSYFKZEZCO-WMLDXEAASA-N 432.477 0.511 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 764431909 FZSPKWAEIHSCJY-SNVBAGLBSA-N 429.311 0.257 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccccc2OCc2ccncc2)n(C)c1=O 764818864 XBUXSQWBDWHYJM-UHFFFAOYSA-N 447.455 0.558 50 20 ICGD Cc1nc(C(=O)NNC(=O)CSc2ccccc2O)nn1-c1n[nH]c(C(F)(F)F)n1 765248248 PHYKOKJFWYTJBC-UHFFFAOYSA-N 442.383 0.972 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770623010 PTGFIKLFSOMGBQ-UHFFFAOYSA-N 448.867 0.928 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(OC(F)F)cn1 773389819 HHEUSDIEWSJPFI-UHFFFAOYSA-N 433.415 0.902 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 777596054 NUEXWLQTXUCRPN-CQSZACIVSA-N 441.487 0.134 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C[C@]1(O)CCN(Cc2ccccc2)C1 778495913 VNHNJGVJSWCDHR-JOCHJYFZSA-N 441.488 0.925 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)cc1Br 778715406 WUKFOTINJXOXCJ-JTQLQIEISA-N 432.271 0.985 50 20 ICGD CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 779714808 ZOBDGUMXOHDQSF-CVEARBPZSA-N 425.507 0.674 50 20 ICGD COC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 780858291 BUFYHBLUWASCJI-UHFFFAOYSA-N 426.495 0.221 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)c(Br)c1 784001660 AFLGTVCRGZRGPH-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 784003876 DAROAWSIDCBBLE-UHFFFAOYSA-N 440.460 0.980 50 20 ICGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)c2)no1 784005332 VXNYQHSCTFYGDI-UHFFFAOYSA-N 428.430 0.622 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 787548280 CCJHFVYWADSELC-VIFPVBQESA-N 429.886 0.939 50 20 ICGD CCOc1ccccc1[C@@](N)(C(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 787995505 JLIBCQQDZBTYIO-QGZVFWFLSA-N 428.367 0.972 50 20 ICGD NC(=O)c1ccccc1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 788698846 MNMANLRZEDWRMU-UHFFFAOYSA-N 444.513 0.889 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1cc(Br)c[nH]1 790765674 UASYYSZHJRSUHY-UHFFFAOYSA-N 445.295 0.687 50 20 ICGD Cc1ncc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 793350209 HZFGDUZKYWCMQY-UHFFFAOYSA-N 449.514 0.670 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)NC)CC2)cc1OC 794785052 RQIJGJONCBSGQS-UHFFFAOYSA-N 428.511 0.421 50 20 ICGD COc1c(F)cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1F 797368828 HNILPMMLIFAJKP-UHFFFAOYSA-N 436.371 0.986 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)c1 803469690 OMFHMGVWORDLJP-QFIPXVFZSA-N 425.441 0.706 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)cc1 813033042 BFVAVNFAXBVASW-UHFFFAOYSA-N 434.400 0.771 50 20 ICGD O=C(NNC(=O)c1ccc(COc2ccccc2)o1)NNC(=O)[C@H]1CCc2nncn2C1 814271601 MJSIPHAYSGOCKU-ZDUSSCGKSA-N 439.432 0.688 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815751474 APEVZOPUNZLOLS-UHFFFAOYSA-N 449.489 0.875 50 20 ICGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 913391909 OBCWGVPTIOMBLU-UHFFFAOYSA-N 445.545 0.568 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914831188 QGVKOBIQXYKAHW-PWSUYJOCSA-N 429.882 0.145 50 20 ICGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916469697 DBOTZNIEOGOSKI-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 917025304 SKYOYKOJKNHHPI-MRXNPFEDSA-N 442.505 0.663 50 20 ICGD C[C@H](NC(=O)C1CCCCC1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 918774532 LMZRZVRRFHRONM-SUMWQHHRSA-N 433.461 0.602 50 20 ICGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 1115989286 WRNWIMKZAQLUIT-UHFFFAOYSA-N 430.490 0.222 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3ccccc3)CCO2)C1 1779030974 LHDXPOMPNSQYKZ-QHCPKHFHSA-N 437.500 0.761 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2)[C@H](F)Br 1780773705 MLWWUMTZVQLBQO-PVXIVEMSSA-N 431.262 0.588 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](F)Cl)CCO3)C2)C1 1784016095 XADMYVWNTRGGSL-UPRAQXHNSA-N 449.907 0.723 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@H]21)[C@@H](O)CCl 1784084550 XUDFCAXDLKVZRZ-HAHWVIBASA-N 434.876 0.986 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21)[C@H](O)CCl 1784091243 XTDXSQLJAPXVHT-GMZLATJGSA-N 425.869 0.046 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288014 NTSKKRJOWKGGOT-ULQDDVLXSA-N 433.509 0.057 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCC(F)(F)CC1 1793160327 MLRXQGHJLJSSNQ-ALXJQNPVSA-N 436.264 0.395 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793731227 USRFDPQBXIUMIT-LURQLKTLSA-N 449.195 0.715 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795471112 KLUHKNFXDMMLOQ-JYYAWHABSA-N 432.359 0.472 50 20 ICGD CCC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1 1795734265 MLOKRQARVBQIQE-YHELAOLJSA-N 439.321 0.413 50 20 ICGD CC[C@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796179879 BOAZKSOGJZJPFC-YRPNKDGESA-N 444.580 0.969 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1799273979 NTQHVKRJGWCZPS-UESRRSCYSA-N 445.347 0.961 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1802032021 BEVWYMPSSAAWRI-SLZITWOASA-N 432.359 0.912 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806052686 SDBKSGXHSUWCBO-UHFFFAOYSA-N 429.326 0.126 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1807108761 AVODRGMCFRCWLM-KXBFYZLASA-N 443.508 0.653 50 20 ICGD CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363069 ALFZEWVSTYRUTD-GIVPXCGWSA-N 436.321 0.175 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1813074367 QCZDIOHCZLGKJK-GCJKJVERSA-N 441.536 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnn(C)c2)[C@H]1c1cccnc1 1813460183 QBGVTSIQDWIYSC-XMSQKQJNSA-N 441.536 0.437 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H](O)CCl 1814876820 ZIPKCZRLKSCCLN-WDEREUQCSA-N 445.954 0.862 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815254798 ZYILHQUGGSIERD-BOFPYLFWSA-N 428.298 0.802 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830225933 WAQGOVQKTQWAEE-QRWLVFNGSA-N 442.896 0.130 50 20 ICGD COc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830225937 WAQGOVQKTQWAEE-YWZLYKJASA-N 442.896 0.130 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)Br)CC1 1830374859 NERJMWKHQRHWBC-GUTXKFCHSA-N 435.338 0.889 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720057 RVRFDUGQKRZIGI-LPHOPBHVSA-N 441.868 0.193 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732658 VAYZYMPHVNETBL-ACJLOTCBSA-N 448.303 0.413 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735815 NLKBAOGSVRAGCT-KUHUBIRLSA-N 440.859 0.143 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736069 REKRYSHITUGSHU-IFXJQAMLSA-N 440.859 0.372 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752845 YQUUCLXXADSQBV-FCEWJHQRSA-N 446.386 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831829262 YJQRWQJDZJBDLH-KKUMJFAQSA-N 428.917 0.458 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649229 HKXXBBFOHNUSBG-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD Cc1cc(C)n(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1833835842 ASYZOEGABSTMFI-SFHVURJKSA-N 425.961 0.671 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834597133 VBPITHFSYITCPX-CZUORRHYSA-N 433.230 0.400 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1834825316 XJRWETHTIFWLTN-SFHVURJKSA-N 443.294 0.953 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3ccccn3)CC2)CC1 1834891845 QGCURGISADONIM-UHFFFAOYSA-N 444.580 0.569 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835666953 QNFARNWAWFMYMP-HNNXBMFYSA-N 441.964 0.145 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837305537 DCBSRXDQWXQYTA-REWPJTCUSA-N 442.321 0.205 50 20 ICGD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)[nH]n1 1837987032 BHHDTODQAOYOLW-LIRRHRJNSA-N 428.917 0.377 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)cn1 1839150876 AIEFVYJBVHEFLB-MSOLQXFVSA-N 447.319 0.792 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203544 OGDWUWMFMPYPAA-PHQDNCEWSA-N 443.273 0.637 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840152359 GKXLGJACIFVLDP-FOIQADDNSA-N 436.896 0.658 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840408991 JINPQPIHTVRXRD-QGZVFWFLSA-N 443.298 0.097 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409990 PBZUNBJHYKONIZ-CXAGYDPISA-N 443.298 0.095 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2Cc3ccccc3CN2C)C1 1841889809 VYRQTFYHEDGDOE-LJQANCHMSA-N 427.549 0.620 50 20 ICGD CCOc1ncc(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011790 SOKMBHRJMHSWNJ-UHFFFAOYSA-N 443.696 0.944 50 20 ICGD O=C(c1ncn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013737 HEGKHOVRVBLEQG-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843528990 QWGMHYZMWYDIOF-UHFFFAOYSA-N 444.536 0.108 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CNc1ccc(F)cc1)C2 1844263884 FZQBZKOHRLYYFJ-UHFFFAOYSA-N 426.452 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCn1c(=O)oc3ccccc31)C2 1846384165 MBKRRPODNSJMGK-UHFFFAOYSA-N 443.504 0.561 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(-n3cccn3)nc1)C2 1846385228 GLZJNYPAAKSXKV-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1846475488 KWWKQIWUCXNYFR-UHFFFAOYSA-N 436.273 0.213 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847501615 FEFIYIXINFZWHH-AVGNSLFASA-N 441.282 0.989 50 20 ICGD O=C(COC(=O)Cc1csc(N2CCCC2=O)n1)NNC(=O)c1ccc([N+](=O)[O-])cc1 19476297 VXLQMWLZCXLICW-UHFFFAOYSA-N 447.429 0.725 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)NNC(=O)c1cccs1 727192974 VRUPRSHARPGVRY-CABCVRRESA-N 447.469 0.824 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 728503346 ONSGBZBEDNNVNW-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(N2CCCS2(=O)=O)cc1 728847684 LAJTYYBGQTYQFQ-UHFFFAOYSA-N 444.517 0.694 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1 728889074 NYQALDNIZOYMQG-UEXNTNOUSA-N 426.521 0.798 50 20 ICGD O=C(NNC(=O)c1ccc(I)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 729341791 SVDFDTBKRFOWEP-MRVPVSSYSA-N 441.222 0.561 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)nc1 729623183 HAODSRHGGNGFIQ-GJZGRUSLSA-N 428.559 0.847 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CN(C)CCN1C 732238317 TZCGVFVTWFBRHH-JSGCOSHPSA-N 428.331 0.793 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2O)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 746452950 CKIWYGXSHFBZBS-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 748636809 NDGKOBSNJLXMME-PWSUYJOCSA-N 428.467 0.022 50 20 ICGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(Br)s1 750268355 QREADJXKVKUPMQ-QMMMGPOBSA-N 425.330 0.879 50 20 ICGD C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 751520889 KWXVBYZJBITWHM-FMKPAKJESA-N 436.582 0.964 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1OC 756652933 CQNXSAOITWHNQO-UHFFFAOYSA-N 432.437 0.226 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 758045521 OUEUWPHQTHRBMO-IHRRRGAJSA-N 434.559 0.935 50 20 ICGD COC(=O)c1coc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 758123229 CDMFDZYKOGZVLB-UHFFFAOYSA-N 448.501 0.831 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)cnn1CCO[C@@H]1CCCCO1 759817053 XILPHAPSYMQXDI-GOSISDBHSA-N 430.465 0.321 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cc1F 760338930 IEYHVKJLGMWYTL-UHFFFAOYSA-N 440.272 0.943 50 20 ICGD Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1[N+](=O)[O-] 763205632 BPSFZEMDVUICMY-UHFFFAOYSA-N 442.313 0.892 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1O[C@@H]1CCOC1 763573498 SMXKCEHQWKNXPB-FZKQIMNGSA-N 427.413 0.780 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 763663355 RXFBZKMXDZAURS-UHFFFAOYSA-N 443.460 0.360 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 763682233 PRZWOCBEJCCKMR-UHFFFAOYSA-N 449.485 0.795 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 763865960 MTYQALNJLIOXMN-LBPRGKRZSA-N 433.392 0.931 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 763872091 KBYIMUBZUDQAFH-LLVKDONJSA-N 432.408 0.747 50 20 ICGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764078425 UKEJOXJJEMYTBM-UHFFFAOYSA-N 433.417 0.641 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764169318 VBGBMDOOXYVYGE-SJCJKPOMSA-N 426.429 0.750 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cc21 764313993 QAKARUHDMITLBU-UHFFFAOYSA-N 443.435 0.624 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cccc1-n1cnnn1 764382327 GVOHTPVTOXAOOO-UHFFFAOYSA-N 437.445 0.822 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 764431644 DVMQAUOYVMOXEE-KRWDZBQOSA-N 447.469 0.162 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc(C(C)(C)C)cs2)n(C)c1=O 765312267 BPODVMCETYDXBP-UHFFFAOYSA-N 434.482 0.041 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)c(OC)c1 768479986 WGFVCTYZZZGFCJ-UHFFFAOYSA-N 430.442 0.974 50 20 ICGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNc2nc(O)c3cnn(C)c3n2)c(OC)c1 770973655 OHUXADJFNPZCPV-AWEZNQCLSA-N 441.448 0.834 50 20 ICGD CCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCCC1 775458505 RNGGBRZWKCRFOO-UHFFFAOYSA-N 427.527 0.974 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3scc(C)n3c2=O)cc1 776339472 SLOUQKIMOFREPU-UHFFFAOYSA-N 449.514 0.455 50 20 ICGD COC(=O)CNC(=O)NN=C(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 779823515 RQCAOIQBONIQEK-OAHLLOKOSA-N 440.478 0.511 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 782120180 GCSAQPAMMSLFBO-UHFFFAOYSA-N 437.250 0.965 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(I)c2)CCS(=O)(=O)C1 783428638 WOSGRTALSXUVGJ-CYBMUJFWSA-N 437.259 0.428 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NNc2ccccc2)c1 784765381 YGJWKEHYOCIACM-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1N1CCNC1=O 787540714 DMPSCFUJACGKCT-QGZVFWFLSA-N 439.428 0.451 50 20 ICGD O=C(CN1CCc2ccccc2C1=O)N1CCN(S(=O)(=O)CBr)CC1 790013629 HPSQDQDOKLFVJO-UHFFFAOYSA-N 430.324 0.511 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)n2ncnc2N1C 791466305 RRWZRFFVERQXHR-NSHDSACASA-N 429.393 0.476 50 20 ICGD CN1C(=O)COc2cc(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 799246373 ZHEVQBRERTYSSG-UHFFFAOYSA-N 425.449 0.901 50 20 ICGD CC(C)(C)n1ncnc1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 800742514 RWSGOTCTDXAJJS-UHFFFAOYSA-N 449.537 0.962 50 20 ICGD O=C(NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1cc(F)cc(F)c1 802001039 DWQJZHAFGYLWRL-LBPRGKRZSA-N 429.405 0.283 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F 806978107 MWLMNYASMWFKHC-ZETCQYMHSA-N 442.828 0.008 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)c2)nn1 812979569 BPJKXESUVXEKHK-UHFFFAOYSA-N 433.384 0.325 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 813509605 ZPMKMOMCMBBKMX-MRXNPFEDSA-N 448.911 0.600 50 20 ICGD COC(=O)CCC[C@H]1CCCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 814784428 DHYSAAOTPOFPPP-GFCCVEGCSA-N 425.511 0.577 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1Br 815691386 ONFJXCVKHWSCBS-QMMMGPOBSA-N 425.218 0.528 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cc(F)cc(F)c1Br 815692900 FEXOMXTVUWRJHK-SSDOTTSWSA-N 443.208 0.667 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN([C@H]3CCSC3)CC2)c1 816810404 KXIIUGHGMPMYRZ-INIZCTEOSA-N 440.591 0.915 50 20 ICGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 913450240 HXQWCJOEPLQVSK-KRWDZBQOSA-N 426.429 0.780 50 20 ICGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2=O)ccc1Br 914442383 FQZLIHFNCYDBCI-NSHDSACASA-N 425.283 0.782 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1C 915906263 VVOVNUPAIYPGEW-UHFFFAOYSA-N 425.492 0.481 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 918550825 MNUHZIXUQRESII-CVEARBPZSA-N 437.518 0.276 50 20 ICGD COc1ccc2c(C)c(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc2c1 919889579 OUWVBJHLUPGXQT-GFCCVEGCSA-N 437.474 0.560 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccn(-c4ccncc4)n3)cc2)CC1 1116787743 VGGJKRXADUTIKF-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)no1 1778030093 KYGROOKWJCAWAA-QIIPPGSGSA-N 430.864 0.761 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036806 GCRRICHSLPVEFS-AOMKIAJQSA-N 446.552 0.107 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1780369963 CFSNYCKLNFEDLC-OAQYLSRUSA-N 427.266 0.235 50 20 ICGD CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213224 FUDFGSXMLDZDBP-CBGDNZLLSA-N 439.557 0.674 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)CC)C2)C1 1783340049 WLDNQDRIEGKFCE-ZRHOUOSFSA-N 428.327 0.848 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc31)CCO2 1783937356 GRTIHONAICMNIR-XXBNENTESA-N 428.533 0.919 50 20 ICGD CCOC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)C1 1784071932 YQZJTKSPQNAALB-MULDDASSSA-N 444.956 0.935 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1)n1cnnn1 1788145137 GSUSAGPZMMUIHZ-AWEZNQCLSA-N 434.265 0.362 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)cc1F 1790080907 ZWNZELZAJMYOOR-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(Cl)c1)c1ccc(B(O)O)cc1 1794731641 YGDNXOLZGCQPJY-MUJYYYPQSA-N 429.669 0.686 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccoc3c1)C2)c1cccc(B(O)O)c1 1795738777 FAGDIKPHVBOLJZ-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n1 1796190824 PSUFHWFKBCUNMA-BCDXTJNWSA-N 436.277 0.285 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(C)o1 1797749674 JLKRPOVIYFTFMJ-ZSBFGKGUSA-N 427.461 0.412 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439590 LUVONTTXTSWGCD-QDMKHBRRSA-N 430.509 0.099 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C3)CC2 1800409428 SGQNCOHFNIVSLB-XYKCEAJKSA-N 436.936 0.989 50 20 ICGD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1800513255 FWKFNCFQINFFCV-QYFXKUKHSA-N 432.427 0.597 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cnccn2)[C@H]1c1cccnc1 1803304358 GJRDEPVUHMGODP-VGOFRKELSA-N 439.520 0.493 50 20 ICGD Cn1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807366062 XLRRXEKWHGNDJL-PGRDOPGGSA-N 447.304 0.057 50 20 ICGD Cn1cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369541 NEABMGGAAAIFFX-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374534 HSRJPRNLBXGEST-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069048 SLGZVJHNZOLHJK-UWJYYQICSA-N 441.536 0.816 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814871801 CQAUDPWZERMOHB-YWPYICTPSA-N 445.904 0.845 50 20 ICGD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815741143 XQAYVHLXDCKDTI-INIZCTEOSA-N 436.302 0.686 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818126277 LNXRTSGDTILICF-BBRMVZONSA-N 435.529 0.642 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cccn1)CC2 1819797685 XNZNPRDPQIRZSA-LLVKDONJSA-N 440.489 0.264 50 20 ICGD Cn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cc1O 1827056511 WANCNEBTRQVPQK-IBGZPJMESA-N 440.309 0.353 50 20 ICGD O=C(c1cn2ccsc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730437 ALJRNGWICGXZJJ-CXAGYDPISA-N 428.898 0.066 50 20 ICGD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832630262 BMMXIXUOKVJZKY-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CO[Si](C)(C)C)CC2)CC1 1833521848 YUXXVASURASTTC-OAHLLOKOSA-N 426.634 0.921 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526572 HUTJAKMUKGYFFE-WFASDCNBSA-N 429.359 0.620 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835835416 ZPQOFKWFHIUGAD-INIZCTEOSA-N 426.590 0.518 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361108 AROSJJYFCBGQKU-RCBQFDQVSA-N 431.375 0.064 50 20 ICGD Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1837489053 JQSKZAGLRPAWCJ-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)nn1 1838347238 SMJWQXLPWGAESN-QGZVFWFLSA-N 443.298 0.340 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838623062 ZYIPECYWZUFSQY-XKQJLSEDSA-N 446.386 0.881 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C1(O)CCC1 1839197176 LDROKLKMJMGAFM-DVOMOZLQSA-N 437.306 0.684 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840149611 VPMNIMDFAXTGNT-DVOMOZLQSA-N 441.750 0.728 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840408990 JINPQPIHTVRXRD-KRWDZBQOSA-N 443.298 0.097 50 20 ICGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846178344 QNGRJVTZXCANIE-NSHDSACASA-N 441.351 0.878 50 20 ICGD O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)CNC(=O)c1cccs1 725740082 RGUBFOKWMWSGAY-JRPNMDOOSA-N 425.536 0.351 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 726540293 CYWCULFLLFUWPI-AWEZNQCLSA-N 440.909 0.673 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 728510275 FXOSUHKNTHFCBZ-UHFFFAOYSA-N 435.430 0.819 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCc1cscn1 729276871 NCTGURCINDZDHL-JTQLQIEISA-N 428.492 0.429 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1C 730672586 HNFZFBGRCGXAAB-OAHLLOKOSA-N 444.579 0.780 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732474108 GWOOJOQHIWMPEF-INIZCTEOSA-N 442.538 0.501 50 20 ICGD O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNC(=O)[C@H]1COc2ccccc2O1 733045022 BVCZLBYDCJOTRA-CQSZACIVSA-N 448.448 0.421 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)cc1Br 735028116 NGISZFYQIFVTKC-VIFPVBQESA-N 428.330 0.313 50 20 ICGD CN(CC(=O)NNC(=O)COCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737629662 SHJAQVOKXYKVJQ-UHFFFAOYSA-N 436.446 0.580 50 20 ICGD O=C1C[C@@H](Cc2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)C(=O)N1 743337357 ULJWRQQLQDQSQQ-QGZVFWFLSA-N 436.472 0.359 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 743854104 ZHJNQYSOJKXQPZ-UHFFFAOYSA-N 430.486 0.911 50 20 ICGD O=C(CC1CCCC1)NC1CCC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 751360452 GDOZRUKABQATBS-GPANFISMSA-N 428.555 0.759 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCC(C)(CN3CCN(C)CC3)CC2)cc1OC 755237401 WUZNMKKZNLITOM-UHFFFAOYSA-N 447.580 0.814 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 756485450 FONOYMITVGSHCI-HXUWFJFHSA-N 449.467 0.446 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1COc3ccccc3O1)C2=O 756860004 ZTEWYKHBJFWLOQ-XJKCOSOUSA-N 430.461 0.721 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 762963889 FNVJOTYPXHGIPR-LLVKDONJSA-N 438.893 0.496 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1F 763429911 BYDJQDGVGHNUTN-GFCCVEGCSA-N 444.419 0.907 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCNC2=O)c1 763467303 BFNVZYRICMRYTN-UHFFFAOYSA-N 426.389 0.914 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 763860490 HRQMDMFHQALGQX-LBPRGKRZSA-N 442.428 0.970 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 763864670 FDIPRRODVQWAHM-LBPRGKRZSA-N 433.392 0.931 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)ccc1C 763975614 KGBASCBXLJZYBF-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C1 763998539 PSVKDCKJDKGXGU-GDBMZVCRSA-N 436.534 0.439 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 764124676 NRPAWHJBAYMTKK-SFHVURJKSA-N 440.456 0.315 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 764154774 UWHWLUYCOGQNDZ-DLBZAZTESA-N 425.397 0.105 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764318198 CSXHRCKDWACMKO-UHFFFAOYSA-N 438.437 0.336 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCCS2 764424985 LTOGRSMMNCQHAY-JTQLQIEISA-N 443.503 0.464 50 20 ICGD C=C(C)CNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764514233 MFDAGSNCMFEDIL-UHFFFAOYSA-N 425.580 0.373 50 20 ICGD Cc1cc(C)c(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 764515980 QWBRRRSOCQZPTF-UHFFFAOYSA-N 449.924 0.722 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 765739609 ZTHCUYRTALUFBV-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ns1 766341633 JEBZYAJBJHNJLC-UHFFFAOYSA-N 438.531 0.866 50 20 ICGD Cn1ncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C(F)(F)F 766643198 KGVUXWNOQCVQAS-UHFFFAOYSA-N 438.410 0.658 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccnc(-n4cncn4)c3)CC2)cc1 766643240 KHYYTGKXRSTGBT-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664819 VIKDYWOZXKKVDM-UHFFFAOYSA-N 444.985 0.676 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 771958214 ODYLBLTXFDIPMG-LRTDBIEQSA-N 446.460 0.101 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 772220593 FUCMGNXDTNUZLZ-UHFFFAOYSA-N 433.490 0.108 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1cccc(OC(F)F)c1 773004383 IPTQMIKZNFKXQF-UHFFFAOYSA-N 429.405 0.606 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)cc1C 773195027 ZDDKUZXJYSKMAY-INIZCTEOSA-N 445.563 0.983 50 20 ICGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 776258172 NIVCANVBXWBYBQ-UHFFFAOYSA-N 436.476 0.811 50 20 ICGD CC(C)Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 781550557 AYFKVJBGTLLCPA-UHFFFAOYSA-N 435.506 0.635 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 783417654 ZXKSRVFWGPVYSY-UHFFFAOYSA-N 445.501 0.987 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 786576132 OCWHSSBYDCUIMT-GWCFXTLKSA-N 445.350 0.070 50 20 ICGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2S(N)(=O)=O)C1=O 788230664 SOCDVINBEKBMGC-GOSISDBHSA-N 435.437 0.383 50 20 ICGD CN(NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788914500 CNUVJWBGJLCAPN-UHFFFAOYSA-N 441.510 0.583 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 789731919 KLRLUDNXXMBOOU-UHFFFAOYSA-N 444.444 0.746 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1C 790903366 BHADBDPMUSVESJ-UYRXBGFRSA-N 429.521 0.854 50 20 ICGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)CCc1ccco1 799259142 PHFXZYRPIKEHGF-KRWDZBQOSA-N 428.445 0.916 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2cccn2C)c1 799835906 ZSMKBUJSXXIAKW-UHFFFAOYSA-N 435.506 0.812 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)N2CCOCC2)c1 801102114 CBFAMTPBGQVMJX-UHFFFAOYSA-N 426.539 0.589 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ncn(C)n2)c1 809980025 GTQWFUIYJIOXTB-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCS(=O)(=O)CC1 814709915 HQAXPHMDADMYLU-UHFFFAOYSA-N 443.547 0.321 50 20 ICGD CCCN1CC[C@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 919792817 IQKUVZCHRNURGE-MRXNPFEDSA-N 439.586 0.376 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 1116093263 OYLXQIPKZJETMB-HOTGVXAUSA-N 425.530 0.827 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNc1ncncc1F 1117730886 WQAHRWZOYSJHKW-ZDUSSCGKSA-N 425.442 0.301 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778755665 YTCYLXMWMCXILY-NRFANRHFSA-N 428.493 0.379 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1779535234 MLRLCMYPGMZHCB-GMIGKAJZSA-N 434.306 0.882 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781223995 GTGYWBYLTRUUJM-UHOFOFEASA-N 429.366 0.733 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1781760025 JOFCKHTWONBJFO-DYVFJYSZSA-N 428.258 0.920 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1782179026 GDSAYCOUSJYLRT-IQUTYRLHSA-N 442.900 0.329 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782399817 YPSBVEPYGWULMV-QFIPXVFZSA-N 444.488 0.955 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Br)CC)CCO2 1782646454 UKKUVBZYBMVDHJ-BLLLJJGKSA-N 435.388 0.474 50 20 ICGD O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Br)Cc3ccccc3)C2)C1 1783023306 WEHHMSJTDYAPBX-UZLBHIALSA-N 449.301 0.911 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785406492 KJWIMBFGJSJKML-OAQYLSRUSA-N 445.428 0.943 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2ncccc2[nH]1 1790335507 OEFQMYOEGMIFBS-WJPUGNRLSA-N 448.288 0.150 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1790569624 ZVTAEGWGXFCYCB-XUXIUFHCSA-N 449.415 0.481 50 20 ICGD Cc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cc1 1791289413 YEKANRUKMCCIDS-IHPCNDPISA-N 446.548 0.727 50 20 ICGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1793085523 JHPWRSFECCWOSL-ITGHMWBKSA-N 437.896 0.386 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1793535816 FSLRCQOQVWZVTL-ZIQFBCGOSA-N 428.324 0.643 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794385796 PNGHBHYTXYFGTJ-DKBOKBLXSA-N 438.912 0.885 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1795115935 WMPYEBBPYPYICG-JJLQDPRZSA-N 441.326 0.913 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190664 WDVIGIKQYWUTOM-REPLKXPHSA-N 435.289 0.890 50 20 ICGD COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CCC1 1796446221 PERVKBJONLFUMY-ZPHZMXASSA-N 445.520 0.669 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1800976732 FUAAQRIXRDPLQA-MRNSRZSKSA-N 437.880 0.565 50 20 ICGD COc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012204 NTCRZMGMICAXMT-VTEUUUEMSA-N 436.484 0.411 50 20 ICGD O=C1Cc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c2N1 1801063680 AORVKUGFHXADAZ-BCDXTJNWSA-N 433.273 0.427 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363531 MEIPKMTXMRKXCX-XLIONFOSSA-N 425.294 0.242 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CCCOC1 1814155998 XTDOCGDEQRUVFG-ZVDOUQERSA-N 437.305 0.508 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067179 VCZIVWARCMWLOV-GLSBUQGYSA-N 436.365 0.884 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)ncn2)[nH]n1 1822411009 VPJRHCBXLQKGMS-CQSZACIVSA-N 430.469 0.584 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2csnn2)CC1 1824659939 ZOPBPIOHSOJAMM-GOSISDBHSA-N 428.323 0.765 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060448 IZEAACGWRRHUJN-MGPUTAFESA-N 429.326 0.124 50 20 ICGD O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830464766 SRYOMGWRZHPKKC-FXAWDEMLSA-N 441.311 0.748 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831184831 GWORDOPDJWPSJT-BEFAXECRSA-N 429.590 0.209 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1833309936 FGAAKJAHVJYKBI-YKTARERQSA-N 426.989 0.498 50 20 ICGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834520959 PJHAWVJWSQVFDT-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1834531886 IHRPOZIFRZOMAV-YVEFUNNKSA-N 443.298 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988472 WJLIPRSUVZWQBT-INIZCTEOSA-N 440.928 0.932 50 20 ICGD O=C(O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)ncn1 1835078756 VRMUXXXCBBCIGU-OAHLLOKOSA-N 427.864 0.894 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835296077 ZUUVHZUGPLIYMS-IEBWSBKVSA-N 441.322 0.961 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837708518 JVACZYCNSXFXLY-HKUYNNGSSA-N 426.542 0.621 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839147355 NYWQLICXKAWSNH-YJYMSZOUSA-N 428.869 0.891 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840030976 BOYYVNRAUNATNX-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840156391 RMWYKRRLMPNODQ-WFXMLNOXSA-N 440.924 0.300 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840156861 WPDGZEBDEXMONB-LIRRHRJNSA-N 434.917 0.286 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1F 1840700429 RBJVRAZGWPQXFO-AUUYWEPGSA-N 432.851 0.943 50 20 ICGD O=C(c1cnn(-c2cccnc2)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013648 SZSZSPKEZLHYOP-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD CCOC(=O)O[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416856 IHONWBZWOYRJNC-KOUDTOEKSA-N 433.465 0.885 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845870376 HXIHHAAOUMIZPV-MKMNVTDBSA-N 443.410 0.627 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 110926426 MEQBCKVQJZYQTQ-UHFFFAOYSA-N 445.545 0.236 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cccn2C)cc1 726538477 MBOCQTMJNINYBK-UHFFFAOYSA-N 435.506 0.247 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 729455709 VFLWNWQQALKPNK-VXGBXAGGSA-N 436.494 0.555 50 20 ICGD COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1OCC(N)=O 730545248 VAKGXZJDHIXNOK-UHFFFAOYSA-N 439.432 0.372 50 20 ICGD Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730568891 GCGXHEWWEXHIGM-UHFFFAOYSA-N 447.908 0.869 50 20 ICGD Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730571760 SXODMYRUUPANNU-UHFFFAOYSA-N 445.480 0.663 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)Nc2ccccc2)c1 733654885 YEWPVMAZJFKKOR-UHFFFAOYSA-N 433.490 0.910 50 20 ICGD CCOCCCN1CC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 734682486 AXTXLEPOEMHGQW-QAPCUYQASA-N 430.513 0.743 50 20 ICGD O=C(COC(=O)[C@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 741385915 JOBQPMIHKZCLSP-GOSISDBHSA-N 442.428 0.800 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(F)cc1Br 742558666 FJSOYHUMQQRULR-HBJVGIJOSA-N 440.225 0.512 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCCn2ccnc2C)cc1 745842557 XVIONFNQAVWCEW-UHFFFAOYSA-N 436.538 0.931 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 745874914 IOIKOHVYSDATME-AWEZNQCLSA-N 439.419 0.736 50 20 ICGD C[C@H](C(=O)NNC(=O)c1ccc(Br)s1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746100267 IGZRDYVOUDDBIV-NOWPAJNVSA-N 442.291 0.823 50 20 ICGD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NNC(=O)Cc1cn2ccccc2n1 746641104 MUJDXZHHDVBUGV-UHFFFAOYSA-N 425.405 0.432 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@@H]2CCOC2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 755031508 CYZCPUUEEUGOMO-PBHICJAKSA-N 443.412 0.394 50 20 ICGD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 755081408 HXGJXMKCYQQBQZ-GFCCVEGCSA-N 441.330 0.760 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 755248910 YECCUWJYUAJLGS-WRFANHODSA-N 426.477 0.895 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1ccccn1 755442123 QLMDCUAHWOTNIY-UHFFFAOYSA-N 449.489 0.968 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c(O)c1 756552291 ZGENOCOODYAUEV-UHFFFAOYSA-N 448.505 0.644 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1I 758042944 BXIBHMKKIIZOFM-LURJTMIESA-N 429.211 0.129 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)[C@@]12CCCO2 759211553 LVUBAPQYSAZSAB-LPMFXHHGSA-N 439.538 0.959 50 20 ICGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 760127256 OAKIEYRJXMUTOY-IAGOWNOFSA-N 440.522 0.609 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)Cc2ccccn2)cc1C 760259988 MZHQJNLTOHQVDD-KRWDZBQOSA-N 447.517 0.001 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c2ccccc2O1 763600408 GNEYFHPMBLKQMB-GOSISDBHSA-N 448.439 0.378 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)cc1 763871064 DCVZEVFLOKYILB-AWEZNQCLSA-N 440.456 0.731 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)n1 763886341 UPBYCEJSEYEMTA-UHFFFAOYSA-N 448.505 0.134 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(Br)n1 763920610 AJYIHSGJCMNWDC-UHFFFAOYSA-N 445.237 0.528 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764234958 NXZPGNKPPMGFJS-UHFFFAOYSA-N 429.458 0.645 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764277692 GOOVSNXWCIUSQO-UHFFFAOYSA-N 428.445 0.578 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc2)CC1 765397385 YXBQYQONMJTQCX-UHFFFAOYSA-N 435.481 0.476 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765619985 UMZJQOPTQMJZGN-LMSBXDPUSA-N 441.419 0.529 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNc2nccnc2OC)c(OC)c1 766264250 FYZSIJUDAZJRBR-UHFFFAOYSA-N 427.421 0.829 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1nnc(O)c2ccccc12 767191986 PLYJUXZNPROMME-UHFFFAOYSA-N 443.485 0.746 50 20 ICGD C[C@@H](NC(=O)CCC(=O)NNC(=O)C(C)(C)O)C(=O)c1ccc(Br)cc1 768243748 HCCKEMWAWUBFCL-SNVBAGLBSA-N 428.283 0.835 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc(OC)c1OC 768912560 OBQSHYANUDZQJQ-OAQYLSRUSA-N 442.428 0.842 50 20 ICGD COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3COCCO3)c(O)c2)c1 769934365 SSJJBZKDKUOQPT-GOSISDBHSA-N 445.428 0.838 50 20 ICGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1=O 770403229 SVZOALJMLNOERG-GIGQVBGESA-N 445.484 0.634 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)N(C)C 773643728 FUDIOPZGNIGVKQ-UHFFFAOYSA-N 437.434 0.936 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 774010062 VGHWANZGNBQMKR-NSHDSACASA-N 436.856 0.178 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3cccc(F)c3)CCC2)n(C)c1=O 775877046 OOZQGEHBCIDTFE-UHFFFAOYSA-N 442.451 0.133 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 778437714 KDBFMUZNPWFCCX-QGZVFWFLSA-N 445.476 0.134 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(-c3cccnc3)no2)[C@H](C)O)cc1 779512472 BVFXSVFTOHLTDA-WFASDCNBSA-N 432.462 0.611 50 20 ICGD Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783426087 FRHXOCNSNWOFPH-FQEVSTJZSA-N 436.534 0.804 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cn(C)nn2)cc1 783619389 WLPLTBZASGNYMP-OQLLNIDSSA-N 434.460 0.786 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785067179 ICFQTWPYFLKUDK-UHFFFAOYSA-N 438.444 0.130 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 790114466 UCZUZTGDBFBEAF-QGZVFWFLSA-N 431.474 0.351 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 790952806 VZKISDFMKAVQMD-GFCCVEGCSA-N 446.420 0.387 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 792855757 BWHBJINWOVJRNJ-BMFZPTHFSA-N 446.485 0.160 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(C)n3)cc2)CC1 797370397 BQTREPSNFMKPKW-UHFFFAOYSA-N 438.488 0.567 50 20 ICGD CN(CCNC(=O)NNc1nc(O)c2cnn(C)c2n1)S(=O)(=O)c1ccc(F)cc1 798118358 RMIHUXAQBNGGRO-UHFFFAOYSA-N 438.445 0.155 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CC[C@H](S(N)(=O)=O)C1 799859477 HYVAYQANIZHAFI-CABZTGNLSA-N 435.300 0.320 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2)C[C@H](C)O1 802023000 KRWQPKPHAYERJP-KBPBESRZSA-N 433.490 0.768 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 806787123 BBVCVDVISOUZQT-GFCCVEGCSA-N 441.941 0.903 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(Br)n1C 808068633 DGCNNYWLFPNFCB-NSHDSACASA-N 431.268 0.641 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 812733453 SLMILKVRSDINOW-NVXWUHKLSA-N 437.566 0.713 50 20 ICGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N1CCN(C)CC1 819720702 FIIIOBITMAWDOG-HNNXBMFYSA-N 436.538 0.128 50 20 ICGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)c1nnc(O)c2ccccc12 828103424 LWBDWZYUZLARIS-CABCVRRESA-N 425.426 0.801 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 912920902 GNUGHRSRLYJXMN-LTFXXXRZSA-N 448.564 0.999 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 913476388 BDCPLIXORNRVKE-KRWDZBQOSA-N 428.424 0.514 50 20 ICGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 916124907 LMVFQHARFNIOOX-UHFFFAOYSA-N 447.473 0.909 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888191 ASQIZEFZNPQZTA-HUUCEWRRSA-N 425.511 0.028 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1116286794 WXLQAYABUPJBCL-GFCCVEGCSA-N 446.551 0.031 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1255250394 NHGQRDHEEZIECJ-UONOGXRCSA-N 443.526 0.053 50 20 ICGD Cn1ccnc1[C@H](O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1319906841 GLJUQWHKJNLFQN-OAHLLOKOSA-N 449.537 0.513 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1325070054 YRUAPGNFPKZJII-ZDUSSCGKSA-N 435.506 0.746 50 20 ICGD CCn1nc(C)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1777845988 PMGSAKKNFFUWIJ-XMSQKQJNSA-N 448.568 0.712 50 20 ICGD O=C(Cc1ccc(Br)nc1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780870322 MZZUGCBXZHJWKK-SUMWQHHRSA-N 446.729 0.816 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2)NC(=O)NCc1ccccc1 1780969818 PCOHBLHHBFUPRW-FGSXEWAUSA-N 447.511 0.521 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1781899897 HCOHWVRKQBGNOB-KYZVSKTDSA-N 447.374 0.267 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783933400 XRVWMTPURRDYSL-QHCPKHFHSA-N 441.532 0.694 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784644380 ZVYKAWZLTGVCGX-XDQVBPFNSA-N 436.322 0.819 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784814747 DQCPALXDIFDXHH-GVRJEKJASA-N 445.944 0.575 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984363 AVVGJKCOIKVPJA-XIRDDKMYSA-N 444.318 0.344 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)nn1 1789103867 PUTZNVNNKZOUPS-JYYRZZBQSA-N 431.262 0.769 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797756464 KGIYFCFAZDVRKE-FMSGJZPZSA-N 435.388 0.091 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nn[nH]c3c1)C2 1798442757 BUQGPARQSTVKGL-BTTYYORXSA-N 434.460 0.522 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)C1 1800754660 TWWUVLCTABXWOP-MTWVNVMRSA-N 431.327 0.949 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519785 NEFZSHKBTJVOBM-YYWHXJBOSA-N 449.272 0.408 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803914110 YCLKPNMLANLROE-DOXZYTNZSA-N 434.880 0.002 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n(C)n1 1807363459 PDPYUDHBJACOBS-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369341 HAROOYUXOYRRBV-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n[nH]1 1811471628 KWXKAHDDHBLKKU-XLIONFOSSA-N 433.277 0.426 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813598997 BIWQJDUSDDZVMO-XMSQKQJNSA-N 432.569 0.801 50 20 ICGD O=C(CC1(O)CCC1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813634312 HLLKELPOEDFGQA-WIYYLYMNSA-N 437.305 0.386 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817262953 AMPBMMPIWKTNOR-SOVGHPHASA-N 427.314 0.769 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(CO)on1 1820346584 BKVVBGGJPJXWBL-KRWDZBQOSA-N 439.237 0.190 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378696 QOWQULAGMCDAOW-NRFANRHFSA-N 437.305 0.547 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825636005 PMYAJXSTDLMYOD-LKEWCRSYSA-N 444.311 0.437 50 20 ICGD O=C(c1cc(O)n[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050976 ITBPJJHGNSZZON-GOSISDBHSA-N 426.282 0.342 50 20 ICGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831205939 XWAJAFIKLWACOQ-KXBFYZLASA-N 433.933 0.003 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](Cl)COC)CC1 1831830712 HETQQDUYINBYTL-OWCLPIDISA-N 433.933 0.924 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)no1 1832920915 HAEFZMCRUCWWIY-SJKOYZFVSA-N 445.314 0.408 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678411 PQBIBHDJMRRWAR-CQSZACIVSA-N 431.379 0.215 50 20 ICGD CO[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1835277423 BSIIQJFCSJUGNH-ABSDTBQOSA-N 426.897 0.430 50 20 ICGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1836733655 ALLGJUQVBJGMIC-JOCHJYFZSA-N 445.520 0.335 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1ccnc1 1836780275 MBYPUOHPAFXUBV-QGZVFWFLSA-N 448.568 0.816 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083947 MJZVMHKYBKMOQU-PZTGFMGMSA-N 441.956 0.861 50 20 ICGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199253 TWKNZPVFBVHIFX-BBRMVZONSA-N 434.237 0.981 50 20 ICGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839373548 MEPXOJDOXJPCDS-KRWDZBQOSA-N 435.260 0.677 50 20 ICGD COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C(Cl)Cl)CCO4)C3)(C1)C2 1840189740 JPUMUCRHOSJWNK-DAWZGUTISA-N 435.304 0.590 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1840368377 MVKZRVBFXNROPD-IBGZPJMESA-N 425.558 0.833 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)[C@H](C)CBr)C2)no1 1841287774 FNEQSYZCRMFUOG-LLVKDONJSA-N 427.299 0.947 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841878090 ZCZDOUYCUXDBLA-UHFFFAOYSA-N 435.456 0.853 50 20 ICGD O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012402 LUZXOKZHTRWMNL-KOSHJBKYSA-N 445.284 0.093 50 20 ICGD O=C(C1CCN(c2ccccn2)CC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014473 NCZKPMHBCOEXBA-UHFFFAOYSA-N 448.332 0.495 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)c2n1 1843696559 GZJADKFGGNDSHK-UHFFFAOYSA-N 427.509 0.536 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)[S@](=O)c1ccccc1 1845775692 JLIBKWKAIYCNJE-ZYSBOAIWSA-N 440.330 0.380 50 20 ICGD CCCc1n[nH]c(=S)n1CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 17406959 AMTPYXMMGIEACZ-UHFFFAOYSA-N 440.551 0.670 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 24127379 NHDOVDRXNZFCDB-ZDUSSCGKSA-N 431.536 0.303 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cocn1)N(S(C)(=O)=O)CC2 729516128 QRWLCSGGDFANOF-AWEZNQCLSA-N 438.462 0.402 50 20 ICGD Cc1noc(C)c1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 730675015 SKGWALYEJSYXNS-UHFFFAOYSA-N 437.526 0.491 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 730824577 ALPWUVQCEKIJJF-UHFFFAOYSA-N 427.408 0.313 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 732195229 KUODONCMCYBPET-AWEZNQCLSA-N 441.510 0.483 50 20 ICGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118351 SWACDDWTBLRGMF-KBXCAEBGSA-N 447.517 0.689 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c2ccccc2c1=O 741143197 LGTDNWVIGHNWGA-UHFFFAOYSA-N 446.489 0.506 50 20 ICGD COc1ccc(-c2n[nH]c(CNC(=O)NNC(=O)CNC(=O)c3cccs3)n2)cc1 741412024 CELPUEBAMWXICK-UHFFFAOYSA-N 429.462 0.802 50 20 ICGD CS(=O)(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 743741744 IUKOWEVPEXCVBK-UHFFFAOYSA-N 444.473 0.686 50 20 ICGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1cnn(C)c1 745919940 XOKQJAARNHDOKT-IAQYHMDHSA-N 449.493 0.353 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 747612754 VJGRSUIZGIEZLO-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD O=C(O)CCC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751213728 WVSOLBFNBUGQLW-UHFFFAOYSA-N 439.471 0.535 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 754677059 XCUMEYIYABMZDN-ZDUSSCGKSA-N 446.551 0.238 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N(C)C 755391760 DEANJIUSRPGYJT-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD CCOCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 755559644 VZYPFWQDQLHQIN-ZDUSSCGKSA-N 442.494 0.450 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 756760784 QSVUNLYPZQKOOC-UHFFFAOYSA-N 444.477 0.444 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2Br)c1 757775118 FTPPATAGVSHLFP-VIFPVBQESA-N 445.299 0.725 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 758958226 SWBLWELSPCZUBU-UHFFFAOYSA-N 426.355 0.385 50 20 ICGD CN(C)C1CCN(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 759595490 KBGDNVGWSYENIU-UHFFFAOYSA-N 445.612 0.555 50 20 ICGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)CSc2ccccc2O)CC1 763502907 PPTHOVFXTCGHNA-UHFFFAOYSA-N 430.552 0.324 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1N1CCOC1=O 763841800 UGMPOMHPSPXGGS-UHFFFAOYSA-N 446.391 0.956 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 763841972 VTWBWYRKQBKKQL-CYBMUJFWSA-N 430.465 0.721 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1-n1nnnc1C 763981054 CNHYPALWGUNAEK-UHFFFAOYSA-N 448.443 0.871 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)cn1 764086923 WYGKBWKLDJRSLR-UHFFFAOYSA-N 428.218 0.831 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 764285798 MHFXBIWMFLPITG-UHFFFAOYSA-N 440.382 0.594 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766865071 DYECGVJGRCJZNJ-JTQLQIEISA-N 434.815 0.949 50 20 ICGD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851295 RCBAYBRJWZDWHU-UHFFFAOYSA-N 446.276 0.722 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc4c(c3)COC4)nc2)CC1 770415643 VFQXHESQRJPEKD-UHFFFAOYSA-N 446.533 0.874 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2cccc(C)c2)C1=O 771219556 IVHAMQVCHPJPIZ-JOCHJYFZSA-N 440.456 0.997 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 773495048 BDJWQYCFJBRMPI-UHFFFAOYSA-N 440.412 0.094 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(C#N)cc2)cc1 773698161 ZLWYXFUGAWIKDV-ZDUSSCGKSA-N 431.474 0.953 50 20 ICGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)COc2ccccc2-c2ccccc2)C1 779696098 BJNRXAXSVWPMPM-UHFFFAOYSA-N 432.502 0.954 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCOC1 780862432 MOTVKXORUWOQAU-GDBMZVCRSA-N 440.522 0.467 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21 780978328 DLYVAMZWERIPNP-UHFFFAOYSA-N 429.462 0.223 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cc1 785715603 HFGSUKWBRKNFTQ-ROUUACIJSA-N 440.456 0.304 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 786666834 RZDAHNSONDXENR-GDNBJRDFSA-N 448.457 0.831 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCn2nc(O)c3ccccc3c2=O)cc1 794721032 PAKNVZVAWPLOON-UHFFFAOYSA-N 431.474 0.886 50 20 ICGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794873075 BDLLABITDTZQOA-UHFFFAOYSA-N 438.418 0.839 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369403 VAJKKYYXNSDRHY-UHFFFAOYSA-N 429.389 0.916 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc([S@@](C)=O)cc2)cc1 797789380 GOXURKDTKMQFOL-MUUNZHRXSA-N 437.543 0.743 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccccc1S(=O)(=O)N1CCOCC1 804956552 SPEGGRSUJNUPNY-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 810663187 XXTYISNQMOLUDU-UHFFFAOYSA-N 427.389 0.058 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)Cc1nc2ccccc2n1C 814212457 BLJJLUPSJQECKF-UHFFFAOYSA-N 438.229 0.915 50 20 ICGD Cc1c(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cccc1S(=O)(=O)NC1CC1 814646434 IJHRMHXUGYNMCE-LBPRGKRZSA-N 433.494 0.443 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 816509983 JGUDHVYZUSCCJP-HNNXBMFYSA-N 446.570 0.843 50 20 ICGD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 915123635 SVOSHJKGEXHNAO-UHFFFAOYSA-N 434.361 0.022 50 20 ICGD CC(C)CN1CCO[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 915922947 PNZGIYLJYDUPMI-MRXNPFEDSA-N 441.554 0.238 50 20 ICGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320565645 KYCOAJNLAVUCEN-JKSUJKDBSA-N 444.529 0.784 50 20 ICGD O=C(NNC(=O)N1CCC(N2CCCNC2=O)CC1)c1csc(N2CCOCC2)n1 1340916832 ZXFPYFAOBSVDLO-UHFFFAOYSA-N 437.526 0.214 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc[nH]1)C2 1778091353 MMCFJRAXRKCSOO-BVTBEYEISA-N 441.492 0.671 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297165 UDSDOJLBNDYMES-VQIMIIECSA-N 444.557 0.163 50 20 ICGD CC(=O)Nc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)o1 1779365063 KFXHHIYIMKKLPH-ZXYWRSMDSA-N 427.885 0.965 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781652186 WLFOFAWFEGGZCY-QFIPXVFZSA-N 426.253 0.571 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782841683 MHPJYNSYXIPDJE-AVRDEDQJSA-N 429.521 0.226 50 20 ICGD N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCC1 1783124827 QNNDTLHCBRPULG-XMSQKQJNSA-N 425.294 0.188 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)C1 1783878095 VADMMPYETRUTAI-UZLBHIALSA-N 433.896 0.965 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937751 XGJVFWOPBOJSLF-UTKZUKDTSA-N 425.574 0.167 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740795 LMTRMIURHJWPHI-IUODEOHRSA-N 425.345 0.282 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1788763848 ANAYMOREPWLAMC-ZOBUZTSGSA-N 437.569 0.841 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(F)(F)C1 1792435131 UKNFPQAQONNQHX-JFILPPLUSA-N 437.447 0.324 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983092 CHGOQUFZQYCPAQ-ZQNQSHIBSA-N 433.933 0.479 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)C1 1793101310 ISSZVIXUFOZHQV-DGADGQDISA-N 443.504 0.526 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795839768 CAOSJPMKPKUSMX-NRWUCQMLSA-N 429.340 0.942 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796889526 AZLZAOADZGJASH-QARFVWEVSA-N 430.509 0.673 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797690239 AFBWHNILCZZSHG-XHJNMGKDSA-N 433.347 0.315 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CO[Si](C)(C)C)CC2)CC1 1797956356 RZOMUWZPAYPGLQ-IZZQQSIFSA-N 438.645 0.208 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626906 QIULLLUEBQIRAP-RDBQEKCUSA-N 441.824 0.126 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1802283223 LDXULGDJSQIPOO-LXTVHRRPSA-N 440.953 0.784 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803649974 HDESELBCMWBYAD-PYJNHQTQSA-N 425.283 0.979 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806375710 WQSOOYLSMNESNY-LAUBAEHRSA-N 439.277 0.034 50 20 ICGD Cc1onc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1C 1807361835 HVZHXPOAABSHNI-WIYYLYMNSA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369903 YNVFHUTUBAFQRS-UWJYYQICSA-N 446.272 0.495 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3[nH]nc4ncccc34)CC2)C1 1809978301 QWMPDFAENVMNMN-UHFFFAOYSA-N 447.304 0.796 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1812344891 DLFFLINGMJHMFQ-TXPKVOOTSA-N 433.896 0.598 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1813071601 VCOZXRPYGROFBR-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD COC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816803147 ACDMRGMYBQGTRV-INIZCTEOSA-N 428.254 0.349 50 20 ICGD CN1CCN(C2(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@H](O)CCl)[nH]n3)CC2)CC1 1820794099 RKZKNXUMBFNRKT-HZPDHXFCSA-N 438.960 0.782 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C1(O)CCC1 1826080661 BJUIERAPQMXRNU-OLZOCXBDSA-N 437.566 0.979 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829512769 KATBPGUKXGHUAC-NRFANRHFSA-N 437.305 0.547 50 20 ICGD COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830478678 LUJRVPDTUSWDCX-BQNPTPDXSA-N 449.508 0.003 50 20 ICGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833385216 GDIPSJOSHOLZNM-UHFFFAOYSA-N 445.358 0.795 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)c1cc2n(n1)CCNC2=O 1834326321 UXIHAHVNPOJYDB-MRXNPFEDSA-N 440.907 0.346 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835129377 XNRBSASBGVUWRZ-QGZVFWFLSA-N 430.977 0.584 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837091143 XTARDXNDGVWSCB-GOSISDBHSA-N 441.326 0.684 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839966572 JISTVOFFCFDWDB-WOSRLPQWSA-N 441.750 0.870 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031562 UMLCBOCNTQINOE-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840032458 ZBKVZRXDGMGPCH-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840151754 NBLJTPQHCCKPTF-UZLBHIALSA-N 436.896 0.887 50 20 ICGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)nn1 1840153989 HLETVJMEWBCQCF-AUUYWEPGSA-N 442.900 0.199 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840185001 IQJADTUQYGVOTM-QFIPXVFZSA-N 449.552 0.098 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840401357 VYWBNJRQPHIULM-YJBOKZPZSA-N 431.942 0.704 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)[C@@H](O)C1 1841353030 ZMKOVXSVDSCAGT-IHRRRGAJSA-N 431.917 0.017 50 20 ICGD Cc1ncc(C(=O)N2CCCC23CN(C(=O)CN(C)NC(=O)NCc2ccccc2)C3)[nH]1 1841714979 NOZKSEOIMNRTRX-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD O=C(CCc1ccc2c(c1)OCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013280 BRMJCCFJFHMTOE-UHFFFAOYSA-N 436.273 0.545 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[S@@](=O)c1ccccc1 1846386008 UJAFVOUMSRJQIN-XHDOVSQSSA-N 434.562 0.759 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C)cc1 110750390 LEGRVCPRNQFCDW-UHFFFAOYSA-N 428.511 0.630 50 20 ICGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)c1cc(Br)c[nH]1 726293287 RXSGKDBLGHZCIG-UHFFFAOYSA-N 437.222 0.795 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(cc3O)OCO4)cc2)CC1 728215813 JOHSCSLFPXILQY-UHFFFAOYSA-N 434.474 0.814 50 20 ICGD O=C(COCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1cccnc1 731187717 KTSXISBRFRQEHB-UHFFFAOYSA-N 433.490 0.298 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)cc1Br 732033355 DLAQCQYKKOBWQL-UHFFFAOYSA-N 425.243 0.212 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2ccccc2S(C)(=O)=O)cc1 732304683 QNCNDDBOIUUBEJ-LBPRGKRZSA-N 427.504 0.909 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 733359353 NIVKANOHQMMCAN-DZGCQCFKSA-N 426.539 0.875 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCCN2CCN(C)CC2)nc1 737065558 SQWLRTDKOYYEEZ-UHFFFAOYSA-N 427.575 0.422 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)COCc3ccccc3)C2=O)cc1 737635259 XEYBDQKTLRIZPV-QFIPXVFZSA-N 440.456 0.826 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 738300426 WTMNMRXIGNDZMM-ZDUSSCGKSA-N 432.493 0.853 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 738507456 ODWNNQGZPCPYGT-UHFFFAOYSA-N 435.462 0.783 50 20 ICGD CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 744384486 DBCAWYBYOVTIMT-UHFFFAOYSA-N 441.510 0.314 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(CN2CCS(=O)(=O)CC2)c1 747337906 WGLLNBWIZPRDJT-UHFFFAOYSA-N 431.470 0.721 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(Br)c(OC)cc1OC 747608814 JUODWVUNDHNXCQ-UHFFFAOYSA-N 426.289 0.995 50 20 ICGD O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748111910 SKXMISGIXHANHZ-UHFFFAOYSA-N 428.555 0.585 50 20 ICGD Cc1c(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 748472645 XEOOLCDFYVORIZ-KRWDZBQOSA-N 429.385 0.976 50 20 ICGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 756707336 NXBJBQAKCDIHGA-UHFFFAOYSA-N 426.476 0.928 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c2ccccc2c1=O 760460190 VJLSSSUOYJILEQ-UHFFFAOYSA-N 447.455 0.766 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 763571392 INOBDVNBONJGDB-QGZVFWFLSA-N 425.376 0.937 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 763663566 VYMYMIIJURULAL-UHFFFAOYSA-N 427.417 0.604 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)c1 763773042 SIPGDSJIJVGZDY-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CC(=O)N(Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1)C1CC1 763892747 KBSMDZMELRHWFM-UHFFFAOYSA-N 426.477 0.797 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(OCC(F)F)cc1 763916607 HMNOIUXJCCXRJD-UHFFFAOYSA-N 431.359 0.706 50 20 ICGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)C1 763998544 PSVKDCKJDKGXGU-HOCLYGCPSA-N 436.534 0.439 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)CC1 764165354 XLKHRXZFDIYLNL-FQEVSTJZSA-N 437.500 0.918 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764169118 ULWJMCJNYVQOIS-KRWDZBQOSA-N 446.485 0.928 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 764226228 GOIDWJNDWNERCK-ZDUSSCGKSA-N 440.522 0.560 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)c1 764431036 UUAQREHJFDSPHV-UHFFFAOYSA-N 442.476 0.689 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2sccc2Br)n(C)c1=O 764909461 WALOHFJNGANROD-UHFFFAOYSA-N 425.268 0.408 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 765407323 HHOIJDCDYWTCQO-UHFFFAOYSA-N 429.499 0.499 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)n[nH]1 765586836 KDPCRPCQSQOQMX-UHFFFAOYSA-N 445.505 0.562 50 20 ICGD CCn1c(SCC(=O)NN=Cc2cn(CC(=O)O)nn2)nnc1-c1ccc(OC)cc1 768483197 IQHUVIGKELWGLX-UHFFFAOYSA-N 444.477 0.892 50 20 ICGD N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 769063042 JKDWBSSZUAMORN-NSHDSACASA-N 434.865 0.750 50 20 ICGD COCCC(=O)N1CCC(NC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 769166629 ZOHDZDHOYCWNEL-UHFFFAOYSA-N 442.542 0.422 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 769644744 WRMCUABBDVFPML-SWLSCSKDSA-N 437.449 0.820 50 20 ICGD CC(C)(C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)c2ccccc2C1=O 770207657 GWOZRBMCMJKCFT-UHFFFAOYSA-N 443.485 0.816 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771268729 TYHFUFKCXUULMR-OAQYLSRUSA-N 426.429 0.932 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCn3ccnc3C2)c1 779665331 JGXFWWJVHLZLGJ-OAHLLOKOSA-N 434.522 0.873 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cn3c(n2)CCCC3)ccc1Cl 779829991 OBQXHKDZUALZJO-UHFFFAOYSA-N 433.899 0.144 50 20 ICGD Cc1ccc(-c2ncccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 782701827 CMZNHIGDVJVGSJ-SNVBAGLBSA-N 425.492 0.142 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 782897724 SRDMWOMDCASCJM-UHFFFAOYSA-N 443.485 0.700 50 20 ICGD COC(=O)CCSCc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428086 SWQGTHHCBQJKMY-SFHVURJKSA-N 443.547 0.619 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1 784004473 OIWJXTBWHUYSNF-UHFFFAOYSA-N 437.412 0.770 50 20 ICGD COCCn1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n1 784446876 QUXJDTACWKJQJQ-UHFFFAOYSA-N 434.928 0.762 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 792393301 CMZMDRVQZBHLGM-QGZVFWFLSA-N 449.471 0.979 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 797652712 PANHKKSGHKVILJ-UHFFFAOYSA-N 443.507 0.893 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)n1 815568336 DHPBGADYVXECMW-GFCCVEGCSA-N 432.458 0.683 50 20 ICGD CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691380 OLBCNPFWGKLEPQ-AWEZNQCLSA-N 442.476 0.511 50 20 ICGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815692871 DSLHWCFJIJGFHP-MFNCVGGLSA-N 426.433 0.203 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 815750569 DWKBTBBMODRSNH-UHFFFAOYSA-N 434.400 0.771 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncoc3C3CC3)CC2)cc1 815827311 UFDDRAZZJZYLAA-UHFFFAOYSA-N 447.517 0.628 50 20 ICGD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)c1csc(N2CCOCC2)n1 916577937 MWQPCFQYBQSMIH-NSHDSACASA-N 436.460 0.808 50 20 ICGD COc1cccc(CC(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)c1 921061642 KQLIABBZKCGKKK-UHFFFAOYSA-N 428.464 0.982 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC12CCS(=O)(=O)CC2 1117386841 FOYLFYILJJQMGU-AWEZNQCLSA-N 443.547 0.366 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1780710137 JPVBCNVDPDNBBR-GWIYSAMLSA-N 449.335 0.335 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673466 ZEWRRMMUVKBCGW-SJCJKPOMSA-N 443.298 0.422 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1783808248 UIBBEYTYVPTKRI-IMSXRSKXSA-N 434.301 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1783936314 FTZACOCKXLRTLL-NRFANRHFSA-N 446.483 0.290 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783939514 GQDAFFYYGDLXRR-DIFFPNOSSA-N 440.324 0.506 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979541 WJYZDRCJLTYCDK-XIRDDKMYSA-N 429.307 0.038 50 20 ICGD C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(F)(F)F 1786983820 UCFQMJHUDCSSJR-BPUTZDHNSA-N 426.200 0.078 50 20 ICGD Cc1ccc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786986619 RHVZZGBUTOFERQ-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584316 LFVGMFIMUXLBAG-RFGFWPKPSA-N 427.299 0.006 50 20 ICGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]3C2)nn1 1791254461 USMRPQHMEVXPBV-AYDFFVQHSA-N 426.901 0.722 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cc2c1 1795734237 KNRDGSHSNGUMFX-OPMZPASUSA-N 447.300 0.673 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)n1 1798069223 ALJXEMYPNDVYBZ-FXOZFUDCSA-N 442.451 0.558 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798713664 CVEXONCXLBWYNQ-JXUBOQSCSA-N 425.795 0.281 50 20 ICGD CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1799219595 VMAIWHIUJGNTQK-BTTYYORXSA-N 432.433 0.908 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2)[C@@H](F)Br 1799348558 KYQLOYIYRJZSAD-VDXKCRADSA-N 446.317 0.668 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2)[C@H](F)Br 1799349533 HXNSEOUHNGXJSA-RNJOBUHISA-N 426.246 0.852 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cc1F 1800661831 LGYNMNRXALYHCA-USGNIVHTSA-N 438.475 0.470 50 20 ICGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)cn1 1800757682 ODMQFLFJBBOWPC-DNVSUFBTSA-N 440.294 0.855 50 20 ICGD CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1802041484 PVAXIBYNRWLNBV-YFUQURRKSA-N 443.878 0.997 50 20 ICGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1805949427 VTSULINWXFSSNC-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807054303 HCQCEGVTCGRXIR-ZGMNHVEMSA-N 440.342 0.464 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359547 AXCGGZSXFHCSTJ-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812717121 MBVRQKNGQZAUGI-ZIFCJYIRSA-N 426.945 0.391 50 20 ICGD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)C1 1813072166 CKECIHIJUIRRTQ-IPJJNNNSSA-N 444.580 0.802 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354755 CFTNIQAJHDNHTB-HNNXBMFYSA-N 437.290 0.461 50 20 ICGD Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n(C)n1 1816444869 KNAJNSSGCUFLFY-QGZVFWFLSA-N 436.281 0.751 50 20 ICGD Cn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)n1 1816482783 KIYCLULHNICPQQ-INIZCTEOSA-N 437.464 0.761 50 20 ICGD O=C(CN1CCCC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817157243 QSXSVLZRWVHCAU-KRWDZBQOSA-N 439.281 0.018 50 20 ICGD N[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccccn1 1817331395 FSLVBWHGCZFOGN-QUCCMNQESA-N 448.292 0.490 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401480 DFDSFHBFYWKNKX-IAQYHMDHSA-N 442.480 0.226 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821621814 FHLFASMKCMUCCH-KDOFPFPSSA-N 427.314 0.736 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826866692 MIHDHVSRHLHEES-SFHVURJKSA-N 440.309 0.792 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827309645 SSASXRAVWRWKJR-SFHVURJKSA-N 425.298 0.340 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)Br)CC2)C(=O)N1 1830375257 AEINLGHTWIAKNA-DOMZBBRYSA-N 447.305 0.848 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730658 BVFKKEKEEUVDEW-FXAWDEMLSA-N 439.871 0.977 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1831173916 PACVJKYTSFTIAJ-UZLBHIALSA-N 439.325 0.452 50 20 ICGD O=C(NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)c1ccco1 1833310193 BPJNXHNQBZQAKK-INIZCTEOSA-N 440.928 0.181 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313554 KBFNQJZKGMSQGR-MSOLQXFVSA-N 430.977 0.463 50 20 ICGD COCC(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118373 VIKRLOXZTVJAFE-BUVRLJJBSA-N 432.525 0.338 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n[nH]1 1838656148 VXVGPRLYRWODNQ-SJKOYZFVSA-N 429.315 0.819 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838993854 SWVYSCUXDOTWIA-QFBILLFUSA-N 432.851 0.563 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839143859 JPIQXUFYXVJZSU-XOBRGWDASA-N 439.896 0.940 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1839653678 XPBZPLBGCAOFJY-KBXCAEBGSA-N 434.990 0.334 50 20 ICGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)COC1 1839775280 TTWYXKXXWUEISG-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1840151379 ACCRDQJHTCKDCE-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD O=C(CCc1cccc(O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840265099 LBTMXJJAKHFJEY-FXAWDEMLSA-N 426.897 0.381 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839639 XYJZEYXPVNSIBP-MAZWBJIFSA-N 433.299 0.647 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015324 DGPGEPPKRJELJV-QGZVFWFLSA-N 445.325 0.487 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1843417014 NTESYFIGHKKSFW-OEAKJJBVSA-N 439.476 0.452 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1847958642 POTAOGSNYZXZNG-HRCADAONSA-N 437.541 0.571 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 9889996 REYJWTUUTRCCMP-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 106037544 HIJOERWUBZNVOJ-UHFFFAOYSA-N 430.432 0.587 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 726084066 NIXIXMUDHVELDL-MRXNPFEDSA-N 431.518 0.709 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cc(F)ccc1N1CCN(C)CC1 726279057 NVYCLQPEAAUCTP-CQSZACIVSA-N 446.483 0.992 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1c(Cl)cccc1Cl 727804779 QGKAQOWHCAFZSM-NXEZZACHSA-N 434.301 0.790 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 728518439 INKZKBUEPVWOHR-CQSZACIVSA-N 429.399 0.663 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)N[C@@H]1CCN(CC(F)(F)F)C1=O 732590058 KVMLBJHDFSFFRB-LLVKDONJSA-N 426.355 0.685 50 20 ICGD O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NNC(=O)C1CC1 733193241 LFOWWXGTNBWSTA-UHFFFAOYSA-N 445.339 0.313 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(-n3cccn3)n2)cc1 736544313 YAGDWYLSXZGREM-UHFFFAOYSA-N 428.474 0.657 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 740043933 NQTLMHOXHVIGKK-LBPRGKRZSA-N 438.824 0.498 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCc2cccc(C(=O)NC)c2)c2ccccc2c1=O 741091778 AKZFRIZZPCDPHG-UHFFFAOYSA-N 436.472 0.963 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 747214689 SSKIAIPTCQAITK-UHFFFAOYSA-N 430.442 0.459 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748445206 POXBDNKFXRNLIB-UHFFFAOYSA-N 437.522 0.101 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c([N+](=O)[O-])cc1OC 752860592 QPPKSJPLBXDBGA-UHFFFAOYSA-N 438.418 0.924 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 756874182 PIUHUFYXXCRHKU-GFCCVEGCSA-N 427.464 0.512 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc2c1=O 760068095 ZSQOPBNVEHPGNU-UHFFFAOYSA-N 434.861 0.914 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c2ccccc2O1 763455493 SIWAFQCJVBPTRU-SFHVURJKSA-N 434.408 0.963 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763682390 NFKKJKLKBHQURW-UHFFFAOYSA-N 438.437 0.040 50 20 ICGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763916205 CXMISZOYBYRGSE-LFYBBSHMSA-N 449.427 0.638 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764005960 GWUWKEHXLKLLSR-UHFFFAOYSA-N 428.401 0.825 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1F 764372237 RFYPSDMSWVBQMG-NSHDSACASA-N 448.407 0.808 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 766662742 DSWWTBBUYXGDCC-UHFFFAOYSA-N 435.872 0.410 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c2ccccc2c1=O 769151619 AYTLJMFKLMOEIF-ZWKOTPCHSA-N 442.520 0.645 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(C)cc2)C1=O 771226381 CQCQLQPKLPLCFA-QFIPXVFZSA-N 440.456 0.997 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 771853765 XHKQVEKXQLWMCY-GFCCVEGCSA-N 429.495 0.828 50 20 ICGD NC(=O)[C@H]1CC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)=NN1c1ccccc1 772889020 NPIWADCRDVDGNK-MRXNPFEDSA-N 442.863 0.224 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 773250609 HDMOBXCHKAKELV-LBPRGKRZSA-N 434.902 0.747 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)n1 773725003 ZRBPTKMMLHCRSV-UHFFFAOYSA-N 430.490 0.685 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[C@H]1OC 776526854 RKSVCQAXGHVXQM-BRWVUGGUSA-N 440.522 0.608 50 20 ICGD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)C[C@@H](C)O1 783425910 KFISMATXDGNMPQ-STXHMFSFSA-N 438.550 0.432 50 20 ICGD Cc1nc(Cn2nnc(C(=O)NNC(=O)c3cc(Br)ccc3O)c2C)no1 787899092 OIBOHJSDLMSJBU-UHFFFAOYSA-N 436.226 0.869 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC 793025120 HUWTWYNLZKKCHJ-UHFFFAOYSA-N 434.836 0.785 50 20 ICGD Cn1nc(SCC(=O)NN=CCN(C(=O)OC(C)(C)C)C(C)(C)C)c(=O)n(C)c1=O 794488945 UGCFUBIGTWHCMG-UHFFFAOYSA-N 442.542 0.709 50 20 ICGD COC(=O)N(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 804126035 UKJAZLFGYMMDPY-UHFFFAOYSA-N 427.373 0.773 50 20 ICGD CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815778446 RHFKHFRAUHNVQC-OAHLLOKOSA-N 436.465 0.855 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 817055260 UAMFRYNTKXEXMU-UHFFFAOYSA-N 431.518 0.729 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914881232 CJJZPIBWGSXJFZ-TZMCWYRMSA-N 443.522 0.491 50 20 ICGD O=C(CC(F)(F)F)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917596775 XVUXSNNKURCCDI-UHFFFAOYSA-N 426.442 0.978 50 20 ICGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918084352 AKRVNUWIPBHUSB-CQSZACIVSA-N 439.538 0.720 50 20 ICGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920274101 KVBUZHQIQNBMLW-UHFFFAOYSA-N 443.485 0.588 50 20 ICGD O=C(NCc1ccco1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 920856031 ZBVOWDPPEGYITI-AWEZNQCLSA-N 448.457 0.747 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1779032005 JKRAXULWRDGRMC-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779068440 KCMYNAWHVIWQLG-FRQCXROJSA-N 432.901 0.719 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3sccc3Cl)C2)C1 1779785527 ZMJSSCQNADEBHL-IBGZPJMESA-N 434.710 0.839 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccs1 1781326782 UKRFAEJAXMARIA-XJKSGUPXSA-N 448.314 0.998 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1782175917 RYNLNKDQDOIMBE-SQGPQFPESA-N 430.977 0.002 50 20 ICGD CC(C)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783933968 PGZYPJOYIFQJEP-TZIWHRDSSA-N 425.574 0.212 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCCc3cccnc3)C2)C1 1784675638 JGXHDVINBFKKFM-QFIPXVFZSA-N 431.537 0.607 50 20 ICGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CC1 1786727207 GXZIESTZIGBARD-ULQDDVLXSA-N 445.402 0.389 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984389 JQRFTAXFAJTURF-CUWPLCDZSA-N 440.280 0.342 50 20 ICGD C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986497 HDIHTTZRBXSYKZ-OQRYQMPQSA-N 440.305 0.432 50 20 ICGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c4ccc[nH]4)[C@H]3C2)COC1 1787507730 NIHCPTPDMNHSGM-SMKMMKTPSA-N 445.520 0.527 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798418795 KGCAPHXICNWBPM-NFFDBFGFSA-N 436.310 0.964 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1ccnc2c1OCO2 1798469265 LXKLJIHKFIYLIX-GNXNZQSNSA-N 426.267 0.799 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)Br)(C1)C2 1800761712 FRKPPBJYICFZQS-VXTGFVELSA-N 429.311 0.703 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1800762712 ZFSAPHFSMIXNQK-USACIQFYSA-N 425.323 0.963 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1CCCCO1 1802584498 LLZJFUYKJIMWDV-JBACZVJFSA-N 437.305 0.650 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803401414 HEIMUBLPZLXXGW-AZUAARDMSA-N 437.305 0.696 50 20 ICGD N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@@H]1c1cccnc1 1807113831 VNMYRCFPKSPVAP-RHSMWYFYSA-N 437.342 0.712 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnccc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370834 LEVIOTSJDQYEOX-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809968861 GYCBINVSJPVGGN-UHFFFAOYSA-N 438.337 0.725 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813033139 IQGJKNCOTZETBB-YZVOILCLSA-N 434.880 0.266 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1813072826 KUQUZGJAQACNQQ-LAUBAEHRSA-N 437.504 0.974 50 20 ICGD O=C(Cc1ccncc1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343890 VEYZJZWWWPJUJC-INIZCTEOSA-N 436.302 0.686 50 20 ICGD O=C(CCc1ncc[nH]1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348064 CKIXKHQRMYEDHX-CQSZACIVSA-N 439.306 0.405 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cccn1 1815361905 UAGNNQABUVNVLX-DOMZBBRYSA-N 439.306 0.506 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(=O)n2O)n[nH]1 1816149274 SHFUCINCHQSGPZ-CQSZACIVSA-N 445.480 0.488 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819262290 SVIZURHNUANPKP-NMEJYPJZSA-N 446.338 0.554 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410709 QLEHPPWCTPIOIC-HIFRSBDPSA-N 435.529 0.690 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1822555908 ADDJYGVGRIHAFX-KBPBESRZSA-N 436.582 0.770 50 20 ICGD O=C(c1cc(O)n[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055416 ZRJSYUKYPAMVDI-GOSISDBHSA-N 426.282 0.342 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1828923616 PGSFOYQJXSRZJQ-DLBZAZTESA-N 437.928 0.518 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828974142 QNDKRWYHYMJVDS-LNLFQRSKSA-N 431.961 0.511 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1830719927 PBTGIXFAYMCZFQ-YLJYHZDGSA-N 438.908 0.480 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1)[C@@H](O)CCl 1833310242 DZHRUGMDMBDQHK-HNNXBMFYSA-N 426.901 0.278 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834398119 BKDNFDXGGNSEME-MFKUBSTISA-N 427.509 0.606 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cnc3C)CCO2)C1 1836554436 FOLCLUJWPZGBOC-GUYCJALGSA-N 429.315 0.962 50 20 ICGD O=C(c1cnn2cccnc12)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717625 ZLJDFNHWNKZZNW-KRWDZBQOSA-N 435.912 0.941 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837001526 MOSPPWSORPYIBE-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838069345 KZNYASLTGVKOEW-HZPDHXFCSA-N 432.949 0.686 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1838786290 NBQJINFXTLXJQC-CJNGLKHVSA-N 428.921 0.487 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840031641 XXIFDUBBCYACHR-CXAGYDPISA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840150971 UWIAIPNEUXOBCV-APWZRJJASA-N 427.885 0.171 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840151507 FEMJIUUXLWRDEB-QRWLVFNGSA-N 441.912 0.877 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840151990 TUSXNNFJYHBZTQ-UZLBHIALSA-N 436.896 0.838 50 20 ICGD O=C1CC(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)=Cc2ccccc2N1 1844642266 IRLLVWXMXOHEGQ-UHFFFAOYSA-N 445.284 0.609 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1C)C2)NC(=O)NCc1ccccc1 1845038381 WZVQWFDEUOODJZ-IBGZPJMESA-N 442.564 0.630 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1846384504 AIXROUJUAOFRDA-UHFFFAOYSA-N 428.493 0.156 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)N1CSCSC1 1846384984 HUCOARBEISEDRO-CQSZACIVSA-N 429.612 0.606 50 20 ICGD CC[C@H](OC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 109333745 PAHBAWSOLTWMNZ-HNNXBMFYSA-N 442.476 0.000 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)CNC(=O)c1cccs1 725740896 IYMZETZWJRDCRU-UHFFFAOYSA-N 446.457 0.272 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)NNC(=O)[C@@H]1COc2ccccc2O1 728342806 IILRWBAIJYGHLZ-INIZCTEOSA-N 426.385 0.195 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)n1 728730820 XDFIVJUCPGMMEE-UHFFFAOYSA-N 444.466 0.509 50 20 ICGD O=C(NNC(=O)c1csc(I)c1)N[C@@H]1CCS(=O)(=O)C1 730774220 SNNNWQZFIBUYPC-SSDOTTSWSA-N 429.261 0.484 50 20 ICGD C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 731220286 BGMQNAUTLPYCFX-CVEARBPZSA-N 448.524 0.063 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@@H](C)C1 733999000 JRWCBUWNEHKKCE-GVDBMIGSSA-N 440.589 0.157 50 20 ICGD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1 738497438 VGAYNYKYXTYWBO-SFHVURJKSA-N 431.537 0.963 50 20 ICGD COc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc(OC)c1OCC(N)=O 746548446 IGBOBMJGOYJJEF-UHFFFAOYSA-N 427.417 0.219 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1ccncc1 747324578 CLVZCCJFYZONAS-UHFFFAOYSA-N 432.502 0.425 50 20 ICGD COC(=O)c1cn(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)nn1 747347662 BPMQHJZTDUREKL-SECBINFHSA-N 426.227 0.442 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 751211278 POEJFPQOARDCLS-QLFBSQMISA-N 446.529 0.991 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)oc2C)c2ccccc2c1=O 751297008 AECRYHLBXSPOLL-UHFFFAOYSA-N 447.473 0.691 50 20 ICGD C[C@@H](NC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1 751617953 LPTMYRRDNUSHGZ-LLVKDONJSA-N 430.527 0.754 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1OC(C)C 753118010 WRXDGCVPVKTPGU-CQSZACIVSA-N 428.511 0.850 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2ccc(C(F)(F)F)nn2)c1 755198818 XPYGLQQBYSIMLQ-UHFFFAOYSA-N 446.411 0.736 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-n3cnnn3)cc2)c1 755434167 GUIKYKUHNLBCDQ-UHFFFAOYSA-N 430.450 0.379 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)c1 760225148 RJVOZRRBKQHHSJ-AWEZNQCLSA-N 446.485 0.783 50 20 ICGD COc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 763507744 CGIWERKHGFJXNR-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763682566 WHYQNUGPGYSOSD-ZDUSSCGKSA-N 439.428 0.697 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2sc(C)nc2C)cc1 763732903 GKFWOTZJDKKZGA-UHFFFAOYSA-N 439.519 0.475 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 763771908 HEDLOMIPWGGIHZ-UHFFFAOYSA-N 435.458 0.897 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)c1C 763852645 XCJDUFWTBQFKPD-CQSZACIVSA-N 428.445 0.721 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 763862652 YXMHMBNNKIVOKC-ZDUSSCGKSA-N 440.456 0.925 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763892934 NTHFIRJIQBSPNA-UHFFFAOYSA-N 425.449 0.539 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)N1CCCCC1 763999434 SEILYTGQIZVZAB-UHFFFAOYSA-N 447.517 0.908 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)Cn1cc(Br)c(O)nc1=O 764046390 DRXPJLHHKYURBC-UHFFFAOYSA-N 429.252 0.357 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 764154072 OAOOSQSTMKGFBJ-QGZVFWFLSA-N 444.469 0.316 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764289830 YXEFDOJQMMGESN-UHFFFAOYSA-N 428.445 0.626 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 764327390 ZEZMRGRQGVAPEB-ZDUSSCGKSA-N 435.481 0.586 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)OCC3CC3)CC2)cc1 766636131 JZZZLQBRWQJRQO-MRXNPFEDSA-N 438.550 0.264 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767268768 XDDMCJOMRKTJQD-UHFFFAOYSA-N 435.458 0.198 50 20 ICGD COc1cc(C(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OC(C)C 769576408 VLQXDRHIRGRMME-UHFFFAOYSA-N 446.485 0.982 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)nc21 770981840 CHSZFLMKORFBKT-GFCCVEGCSA-N 425.405 0.546 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc(C(F)(F)F)nc1 777812701 JWGGDHDUFRXCQC-UHFFFAOYSA-N 436.394 0.714 50 20 ICGD CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 779714811 ZOBDGUMXOHDQSF-HZPDHXFCSA-N 425.507 0.674 50 20 ICGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCC1 780160869 PBVPZYDPDKLKSJ-ZBFHGGJFSA-N 428.486 0.613 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 781528798 CZSWKGTXCRVQJG-OAHLLOKOSA-N 425.507 0.903 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc(C#N)n1C 782624151 HNTNRBWZIWEFAD-IMBVHSNNSA-N 432.502 0.983 50 20 ICGD Cc1cc(NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ncn1 783947630 BOUODRYWHCTZFX-UHFFFAOYSA-N 444.517 0.992 50 20 ICGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(C(F)(F)F)c1 784003338 UODASJAUMOPATH-UHFFFAOYSA-N 429.355 0.372 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)c1 784585185 KVKYCLKPWUKCOY-UHFFFAOYSA-N 426.495 0.565 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCNC1=O 787545271 RIADYBZAXFUCPK-UHFFFAOYSA-N 426.389 0.833 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3cc(OC)cc(OC)c3)ccc2[nH]1 792355052 NZIYLJMEFOFWOX-UHFFFAOYSA-N 439.428 0.944 50 20 ICGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cnoc1C)N1CCOCC1)c1cnoc1C 799480891 AEMVGJMABBELQE-SFHVURJKSA-N 445.480 0.751 50 20 ICGD COc1cc(NC(=O)NNC(=O)c2ccnc(S(N)(=O)=O)c2)c(OC)cc1Cl 802085092 XTAKHTVYIRNSNU-UHFFFAOYSA-N 429.842 0.866 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)cc1OC 802721461 ZAKPNDDOQQKPPD-UHFFFAOYSA-N 444.487 0.739 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 812431888 SHMXTEXMRSEJDU-UHFFFAOYSA-N 436.490 0.814 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 816716510 OZYAGUHDSVXBCR-LLVKDONJSA-N 434.312 0.798 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNC(=O)COc2ccc(Br)cc2)CC1 914829756 RTLVYDDKXHZMJU-UHFFFAOYSA-N 442.314 0.369 50 20 ICGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 915056506 LRLWYSPQAABZGD-ZDUSSCGKSA-N 431.474 0.467 50 20 ICGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1116735154 NEHYMUUDUSBZGZ-LJQANCHMSA-N 447.513 0.844 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1779373203 NFNORSCLPSDBED-QWQRMKEZSA-N 427.864 0.347 50 20 ICGD N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CCC1 1779374824 FJFDYSJVYORRNZ-VGOFRKELSA-N 440.504 0.506 50 20 ICGD COCc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c1 1780050579 AYZCGYMRYLEYBP-XMSQKQJNSA-N 449.552 0.662 50 20 ICGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Br)C3)CCN1 1782269669 RQJDZRLTUQAFBE-HSTIPLNKSA-N 434.306 0.717 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1784795812 KJLNRQGQZBPDMB-UYLCUJDWSA-N 430.929 0.545 50 20 ICGD COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cn1 1785093861 IAKVSDDYYBAFNZ-QAETUUGQSA-N 425.913 0.602 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(C)(C)C)n3)[C@H]2C1 1785702935 SRQHXKLICJHMSJ-BQFCYCMXSA-N 448.568 0.604 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(C)o1 1785992076 ICWFCLBCVZSYDL-VDGAXYAQSA-N 426.278 0.483 50 20 ICGD COCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c4ccc[nH]4)[C@H]3C2)CC1 1787507074 WBBRJGBLYCFBJH-SMKMMKTPSA-N 445.520 0.527 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1790960450 HPSDYTPPSNVYEF-DEQVHRJGSA-N 427.299 0.949 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCO3)[C@H]2C1 1791032827 SUSJTRKOZQKBPJ-UKZVOZDVSA-N 431.493 0.279 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCOC3)[C@H]2C1 1792213220 YSWXJRHOUCAOMU-WZAKMNGYSA-N 445.520 0.527 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793545566 XWJHZNJFYYBYAB-GUIRCDHDSA-N 426.311 0.620 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795495603 FMFWESVUNUXGCL-SLBVQIDZSA-N 440.342 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799931790 BGFOBHSOYNTNLC-AVEIZBFRSA-N 433.553 0.399 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2 1801009406 FXXPUEKTGVXMQZ-FVCICTRLSA-N 436.488 0.002 50 20 ICGD COC(=O)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012266 RKWKCVSFRNKVKM-VPTLXERWSA-N 440.541 0.073 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803135490 DFJKQSIWJNQEFI-JLJPHGGASA-N 436.856 0.492 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C23CC(F)(C2)C3)[C@@H]1c1cccnc1 1803653313 QBDOWWMHQWDKMX-OMMZEQHOSA-N 437.280 0.973 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)[nH]1 1803813153 NTGIABPQYQMDRT-PXNSSMCTSA-N 433.277 0.426 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)c1 1805289447 UDNLAZKMVIKNJO-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD COC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806375225 SIGWEYMNTZHZPF-LAUBAEHRSA-N 439.277 0.034 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(C)(C)C)[C@H]1c1cccnc1 1807101046 PNNOCMKELDQINP-DYESRHJHSA-N 432.569 0.849 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359512 AJRYFRMDMPDBAA-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369545 NNYYOERVZOYRGR-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807706516 KLXGJTFHOZDARL-YYFQZIEXSA-N 429.290 0.501 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809773037 SLCHFHYLWFJESG-UHFFFAOYSA-N 440.353 0.493 50 20 ICGD Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)cn2[nH]cnc(=O)c12 1814873251 LPYARMRRGVAQMD-KBPBESRZSA-N 447.883 0.960 50 20 ICGD Cc1ccn(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815337118 NGDNDVTYQIYSHC-OAHLLOKOSA-N 439.306 0.254 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825641526 IJRPFKAPNILELG-YIZRAAEISA-N 432.344 0.431 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)o1 1827113663 MUDSHEFFJNWRCC-LJQANCHMSA-N 440.309 0.534 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829746585 PYKDBBLUILBIET-JKIFEVAISA-N 433.343 0.777 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1830537017 AMTORLIFSHDDJZ-CXAGYDPISA-N 429.315 0.521 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1830537765 OBNIUXCSHHJECN-SCLBCKFNSA-N 442.310 0.888 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725538 JGYSDSXUIWIMIL-UTKZUKDTSA-N 440.924 0.738 50 20 ICGD CCOc1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730745 DHWHBRUBHWYSKO-OXQOHEQNSA-N 426.897 0.755 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc21 1830735990 OUAQUPNGHGAXKV-RXVVDRJESA-N 436.892 0.485 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737080 CTIWMJMZRKRRCB-BEFAXECRSA-N 430.860 0.504 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831188930 SNLGNUZJQYYOGD-FFSVYQOJSA-N 438.294 0.048 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832908579 LOTKZRJAEGUZHW-XLIONFOSSA-N 441.912 0.079 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312331 QFEZWJJOSZPTFC-CJNGLKHVSA-N 433.933 0.719 50 20 ICGD Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1834149933 HSFDZZRCJIKCOJ-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD C/C=C(\C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738287 SHDCWNQMBJGXDU-CRKCGEKBSA-N 428.537 0.837 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711732 OQHPLONDOMXPQS-IBGZPJMESA-N 429.590 0.067 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717817 ORDMMFMVKKGMAH-XLIONFOSSA-N 438.601 0.827 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838623032 XZEXSOSUNLZBNH-WWGRRREGSA-N 432.359 0.491 50 20 ICGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1)n1cccn1 1838789099 HUBDLGLPAJGIKF-QGZVFWFLSA-N 448.568 0.816 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839143936 MHBKNCXYGBXHHC-FXAWDEMLSA-N 430.977 0.098 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839215435 QSGMFAJFVVSAMC-VHSSKADRSA-N 436.336 0.300 50 20 ICGD Cc1cccc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)n[nH]c12 1839595697 OINKTFCCKAYHTJ-QRWLVFNGSA-N 436.896 0.541 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839669938 FINJJFXBXPLFDC-UGSOOPFHSA-N 428.873 0.035 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1840151565 GEXJBNXMTRWKIJ-KNBMTAEXSA-N 440.928 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840153415 OBPLRSKKNCQGEZ-SJKOYZFVSA-N 433.292 0.454 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)Nc1cnccn1)C2 1843416271 QTPZTJUOOBAZKY-DNLAOKNZSA-N 438.492 0.614 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C1(C)COC1)C2)NC(=O)NCc1ccccc1 1845038253 JWUUROAPHUEWQS-UHFFFAOYSA-N 429.521 0.573 50 20 ICGD Cc1cn(CC(=O)N2CCCC23CN(C(=O)[C@H](C)CBr)C3)c(=O)nc1O 1846968514 ZZQYKSKKKCARGC-LLVKDONJSA-N 427.299 0.492 50 20 ICGD O=C(Cc1ccc(Cl)cc1)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728959334 LNIYEWLSZRRTRW-UHFFFAOYSA-N 431.884 0.951 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 729844721 MVSASCPYDHYYDS-UHFFFAOYSA-N 442.400 0.190 50 20 ICGD CCN1CCN(C(=O)CC2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)CC1 731214840 SLXHTVPYKCLXPH-UHFFFAOYSA-N 433.528 0.853 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 731852341 RZQZRJMSLAPJLB-UHFFFAOYSA-N 437.386 0.852 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)C1=O 733142592 MZURQKIKXUKBIN-GOSISDBHSA-N 449.467 0.182 50 20 ICGD Cc1cc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 733909183 BQPWAZHSVQUFOI-UHFFFAOYSA-N 436.490 0.327 50 20 ICGD COC(=O)COc1cccc(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 734527563 ZGFBWQZDBWWYLG-UHFFFAOYSA-N 442.476 0.775 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 737065747 ZMVYMBYCMRJNCP-UHFFFAOYSA-N 441.492 0.410 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)c1 744562053 WCGZCEFSJFOSFD-KHPPLWFESA-N 431.470 0.890 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 744576401 CLDYYBIYUYDVHN-UHFFFAOYSA-N 426.341 0.856 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746385641 GSMMTBUAIZJOFO-SFHVURJKSA-N 446.548 0.825 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2csc(N(C)C)n2)cc1 747589402 OPVSMRBXEPVXQO-UHFFFAOYSA-N 440.551 0.669 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1C 754138261 XOKWPSONMLKEBH-UHFFFAOYSA-N 443.503 0.879 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cn(Cc2cccc(F)c2)nn1 759112085 LAGZJSSFFKTMEB-UHFFFAOYSA-N 431.453 0.833 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c(=O)c3ccccc23)c1 760053776 PDYXARKKYVBWQO-UHFFFAOYSA-N 428.470 0.864 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 762965084 URLYSCFZQQXSQT-CSNVJCEJSA-N 448.545 0.816 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763466048 GGJNIFDXLOEGEC-UHFFFAOYSA-N 436.384 0.651 50 20 ICGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763574534 CVDICHFRXGJSQE-KRWDZBQOSA-N 442.428 0.080 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c(C)o1 763581892 FDQGYYZXEPYXAF-UHFFFAOYSA-N 443.504 0.922 50 20 ICGD CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 763794777 CBTSKBVRDQAMEH-UHFFFAOYSA-N 439.472 0.599 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763803170 IGEUUTWBUZHFSG-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)ccc1F 763858139 QOCFOFGUZBYYLO-JTQLQIEISA-N 445.386 0.802 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1OC(F)F 763995963 BBMXRHKAIKOKAM-SSDOTTSWSA-N 425.797 0.462 50 20 ICGD Cc1csc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)n1 764228657 ZODUSKKZKWBCDY-JTQLQIEISA-N 425.492 0.142 50 20 ICGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274784 CQZFHTQEZJTYGN-CYBMUJFWSA-N 429.429 0.909 50 20 ICGD O=C1COc2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)ccc2N1 764383191 XZUWVIDZGUXKRU-UHFFFAOYSA-N 426.414 0.869 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(-n2cccn2)n1 765737086 VQHOKSCPMNJGTH-UHFFFAOYSA-N 433.472 0.486 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNc2nccnc2OC)c1 766262258 SFBZEOQKHPCKNA-GFCCVEGCSA-N 436.494 0.785 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 772991890 XMTNXTDQBVMVMW-CABCVRRESA-N 438.912 0.435 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 777591481 QGOLVFFTSPKUPG-UHFFFAOYSA-N 428.448 0.516 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 782054024 XUURMRYMWDZLKP-OAHLLOKOSA-N 443.595 0.468 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c(C)c2)CC1 783425395 HVUDYKKVYCXVIJ-HXUWFJFHSA-N 437.566 0.273 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(F)cc1I 783998948 ILDGXIKXNMHUBN-UHFFFAOYSA-N 448.192 0.139 50 20 ICGD COc1cc(Br)cc(C)c1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002573 HCTCZQMUKXRPPY-UHFFFAOYSA-N 427.255 0.474 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 785651280 HGTCKIAPRPLJLC-QZTJIDSGSA-N 441.488 0.195 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 786414399 NVRLXDUAKDUMNX-UHFFFAOYSA-N 425.405 0.387 50 20 ICGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)CC2)C[C@@H](C)O1 786925523 DHMNXVLUHNXADM-JDPRVQSZSA-N 434.518 0.797 50 20 ICGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 794599152 VXLCZLFVXVQRHH-UHFFFAOYSA-N 428.448 0.166 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 794783133 DAXKSFZURVYLJK-OAHLLOKOSA-N 431.453 0.449 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c(C)c1 796989255 CBTSLBVTXYNEBM-CYBMUJFWSA-N 446.435 0.812 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCc3nn(C)cc32)CC1 799099830 FLQXBDNSIKOKQU-CQSZACIVSA-N 433.538 0.314 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 799101548 OZSNLDQPFBVUJP-JTDSTZFVSA-N 432.521 0.947 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1cc([N+](=O)[O-])ccc1Br 800618420 BLBKNRNNYCMFFK-UHFFFAOYSA-N 425.261 0.756 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2S[C@H](C)C(N)=O)n1 801487804 TZVYTUKOAYZHFU-LLVKDONJSA-N 436.515 0.964 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 807409006 AEBQYBMBKXZYFY-UHFFFAOYSA-N 444.477 0.432 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 807540666 BGMOQUSWGBBRQG-ZDUSSCGKSA-N 435.359 0.567 50 20 ICGD CC1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 808067986 HNMJWNOPAZTCHJ-UHFFFAOYSA-N 430.552 0.682 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](F)C(F)(F)F)CC2)cc1 810591695 GANBKKYSUAWCDX-AWEZNQCLSA-N 440.419 0.349 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc(Cl)c3)c2)CCN1 812978783 CMROITBVGZJJLQ-UHFFFAOYSA-N 429.864 0.672 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc21 815751701 KUFKFMXGTFBJBA-UHFFFAOYSA-N 431.474 0.538 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1 857432003 VQSNMYDBXSEOPT-UHFFFAOYSA-N 427.490 0.873 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2nccc(OC)n2)CC1 914763123 PFDKBBONVFVYDE-UHFFFAOYSA-N 449.489 0.816 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1 916094922 LQSUAJWVKIPPTL-UHFFFAOYSA-N 436.490 0.440 50 20 ICGD Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916106871 AHMDVLZYEGBYDQ-UHFFFAOYSA-N 439.515 0.639 50 20 ICGD CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916513414 ZJTWZLMMWMUECC-HNRFISLBSA-N 435.458 0.548 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1[C@@]1(C)NC(=O)NC1=O 917717402 QMZULKOQXBDSLD-GOSISDBHSA-N 436.446 0.583 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2cc(OC)c(OC)c(C(=O)O)c2)c1O 919958624 RZYOGDMYUFATEQ-UHFFFAOYSA-N 426.403 0.740 50 20 ICGD CC(=O)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 920057894 RJYBJQSZRONNGA-QGZVFWFLSA-N 442.384 0.713 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 920858241 UWJMGGRQFQNKBK-UHFFFAOYSA-N 439.538 0.662 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)NCc2ccco2)CC1 920858387 SDWGPJPDICDVLZ-UHFFFAOYSA-N 425.467 0.816 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccccc2CN2C(=O)CNC2=O)c1 920934918 LUGQRJPSFACZQC-UHFFFAOYSA-N 445.457 0.608 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CCCN2C(=O)CN(C)C2=O)c2ccccc2c1=O 921236802 PCOLPUGFBBBLEN-UHFFFAOYSA-N 428.449 0.413 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc2c1=O 1116306703 HUUNXAPADKRMPV-IAGOWNOFSA-N 428.493 0.255 50 20 ICGD CS(=O)(=O)C[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1117734034 UXLFORDLRGJLDA-LBPRGKRZSA-N 431.540 0.091 50 20 ICGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCBr)C3)CC1 1778847832 YHHUSYAPUIOHSO-VQIMIIECSA-N 445.402 0.533 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)cc3)CCO2)C1 1779032436 JVJTWHWTKPQSHR-NRFANRHFSA-N 427.436 0.582 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334977 TYKCECXKDGYPIY-PFRKPPGBSA-N 437.460 0.464 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)N1CCN(C)CC1 1781230898 AKVQPHHEYVHEBZ-MNEFBYGVSA-N 435.396 0.689 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783536620 LWOAWSJOWTVHSM-MEDUHNTESA-N 429.271 0.174 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1783973424 ALONSWRLTHZIPN-QTVXIADOSA-N 430.343 0.523 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784276336 GUTKJFYXIYUDBJ-XUXIUFHCSA-N 432.315 0.449 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407194 JWBWOHBYUIVXGO-AVGNSLFASA-N 435.388 0.235 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ncc1[N+](=O)[O-] 1787637476 ATEORLPXAFRTMR-APYUEPQZSA-N 426.857 0.491 50 20 ICGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921861 ZNIUUFOITRTUBG-MRBYEJRBSA-N 429.308 0.091 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C[C@@H]21 1791256724 FZJZPXQYLHQVQE-OIGVQNGMSA-N 448.951 0.986 50 20 ICGD Cc1cccc(F)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791898618 BFWGKRNTCCJFHR-QRFRQXIXSA-N 440.280 0.721 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1793878207 FDNAXIWBDNRJMW-XGUBFFRZSA-N 443.928 0.687 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccccc1=O 1796223167 HEMSTBFITMWRJL-GSWMANSFSA-N 438.488 0.621 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1797954705 AOTORKUCKZRJPN-YWVIFJGQSA-N 433.541 0.490 50 20 ICGD CC(C)(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1 1798439738 AZHVPWKYFZPTTA-BTTYYORXSA-N 440.508 0.597 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1799264265 FRJSBWRMCMJJJF-YXPYIKCWSA-N 443.953 0.847 50 20 ICGD COc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1800685396 BKHMRUIKCMAWET-NXHGAODWSA-N 444.532 0.671 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCSC1 1802052997 XLODWLVSSDFOMY-ZJOBFFGXSA-N 433.534 0.032 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364306 DRQMBEKPEGRWGX-OXJNMPFZSA-N 436.252 0.862 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C2=COCCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367323 KMTTUDBNRXTYTK-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD Cc1ncncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1810967826 MVEBRKOWFVHSEQ-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067411 AMTHHAMFJMOVDY-UTLUCORTSA-N 446.371 0.821 50 20 ICGD Cn1nccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339898 SPYCPZURMKCPPN-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD CC(C)CNC(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475391 POURIADYEPDNHD-QGZVFWFLSA-N 441.297 0.168 50 20 ICGD CN1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)CC1 1822415869 JURMUTHLNPRIOY-QGZVFWFLSA-N 448.572 0.022 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829758187 CEMFUZOAKQYOHQ-ZUZCIYMTSA-N 448.343 0.433 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727914 KMQOWGVPCOARGH-GHTZIAJQSA-N 449.891 0.610 50 20 ICGD COc1cc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)c1 1830733867 WMQSFRYHVSFYLH-LAUBAEHRSA-N 440.924 0.982 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831072812 OYCTUBAAZXECQI-DYESRHJHSA-N 429.370 0.940 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1831401982 KWFSYKKNEJOREV-RVKKMQEKSA-N 431.327 0.655 50 20 ICGD CSCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831540153 ZRYGLTAFUQCRGU-HXUWFJFHSA-N 444.598 0.205 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1832897660 XCGADXFUOOFVRE-XLIONFOSSA-N 425.913 0.379 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715583 YMZJSSXTLNOACE-CLYVBNDRSA-N 434.631 0.453 50 20 ICGD CC(C)(C)NCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837855606 UMBQWRAAZYFWJT-UHFFFAOYSA-N 445.369 0.367 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839147174 IJIISHVWNCZQEP-OXQOHEQNSA-N 435.912 0.746 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839149447 HAWHQZWMRXPEIR-SJKOYZFVSA-N 449.982 0.321 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031109 FYHAINRGWBELCH-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274283 CHEQXTOAYBHYEB-UHYCVJNDSA-N 428.602 0.845 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840325627 JPVJEZLSFQGEIA-ZBFHGGJFSA-N 433.278 0.489 50 20 ICGD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC=CCC1 1840554476 YKVFAKYJXJCEFJ-GOTSBHOMSA-N 442.321 0.183 50 20 ICGD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cc1O 1844263163 ATOBIVLDJQHKCZ-UHFFFAOYSA-N 439.472 0.459 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1844691829 GFBWMHQSHFAKEU-CQSZACIVSA-N 425.825 0.937 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)c1 16594081 HNRLNDJNZQWERX-UHFFFAOYSA-N 439.881 0.176 50 20 ICGD Cc1ncc(CO)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1O 263630271 AHFNFNINBPARIZ-UHFFFAOYSA-N 434.474 0.373 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)OC(C)(C)C 725897938 MRAKRPPNXHIDBK-CYBMUJFWSA-N 429.495 0.784 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 727116886 GOEPYABWVGFQJO-CABCVRRESA-N 425.507 0.705 50 20 ICGD CC[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(S(N)(=O)=O)c1 729228440 CIDDWTXYXUKKBM-CYBMUJFWSA-N 439.519 0.607 50 20 ICGD O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 731338891 JYTICMAFVRMJLO-ZCFIWIBFSA-N 431.275 0.436 50 20 ICGD O=C(NNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)N[C@H]1CCS(=O)(=O)C1 731342934 GTIYBRSKGPXDST-NSHDSACASA-N 438.487 0.712 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 731849287 YXSYYHPRMHGAJS-GFCCVEGCSA-N 447.355 0.701 50 20 ICGD CC(C)OCCCn1c(NNC(=O)Cn2ccc(=O)n(C)c2=O)nc2ccccc2c1=O 733266467 XGEQFVWZFZUSJF-UHFFFAOYSA-N 442.476 0.215 50 20 ICGD O=C(O)c1cc(F)cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 749141358 IDJLFJWKRPEWAT-UHFFFAOYSA-N 430.439 0.440 50 20 ICGD CO[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 753559336 VVHKKNSJBZLOTN-GJZGRUSLSA-N 426.543 0.457 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCC(C)(C)CO)nc2)CC1 754915326 BQIDGTIRORHCMZ-UHFFFAOYSA-N 428.559 0.443 50 20 ICGD CCC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)COC1 755061269 MJAZPSQJEXINGS-UHFFFAOYSA-N 425.507 0.214 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)c1 756776723 ZJYIRNXTSNPUOV-KRWDZBQOSA-N 427.461 0.684 50 20 ICGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763454398 JOPVMUBLLYEWKA-UHFFFAOYSA-N 431.380 0.970 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 763594156 HFQHYKWIFLZHFV-UHFFFAOYSA-N 444.492 0.400 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1 763661770 PBXLGRPLIOUVRE-UHFFFAOYSA-N 443.395 0.283 50 20 ICGD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763917176 QSEZYHZEXHQNOA-UHFFFAOYSA-N 436.432 0.719 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764266367 CKLLRZWCRXOZHF-ZDUSSCGKSA-N 433.490 0.487 50 20 ICGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)ccc21 764378280 XSNBTCQBHWCKPZ-UHFFFAOYSA-N 426.414 0.983 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C(F)(F)F)cc2)n(C)c1=O 765313533 SPMOMBXGQKHNPU-UHFFFAOYSA-N 439.354 0.305 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1nnc(O)c2ccccc12 765737456 ZJRUVHXJHOSWCD-UHFFFAOYSA-N 434.456 0.554 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCn3cccn3)CC2)cc1 766637112 XJBPBBDJXSPCEP-UHFFFAOYSA-N 448.549 0.126 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNc1ccc(Br)c(F)c1 771312741 YWBNUIQIIDKTTD-UHFFFAOYSA-N 425.280 0.876 50 20 ICGD COc1cc(SC)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 772656176 PLQRETLWTXWFCL-UHFFFAOYSA-N 447.477 0.017 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 776146769 ILUSTUJECJTOGT-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C2CC2)c1 776488543 ORXSMBPSGMRVGX-QFBILLFUSA-N 437.456 0.928 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 778433254 HOPAFMIGAPAIEL-LBPRGKRZSA-N 446.551 0.882 50 20 ICGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 782121404 XQVNSUVDCOAZHH-UHFFFAOYSA-N 436.402 0.916 50 20 ICGD Cc1cc(C(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 782775775 XICGDTATDILIPZ-UHFFFAOYSA-N 447.835 0.750 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 782833274 DWIGEPAVYAQLBC-UHFFFAOYSA-N 449.489 0.108 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNc1cc(C)ncn1 783945704 PESFSHRZDKQGHB-UHFFFAOYSA-N 436.494 0.952 50 20 ICGD CC(C)(C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)S(=O)(=O)C1CC1 786259371 GQFRGRQLYFYSLY-UHFFFAOYSA-N 431.536 0.506 50 20 ICGD CN1CCN(C(=O)CN2CCC(N(C)C(=O)/C(C#N)=C\c3ccc(O)cc3)CC2)CC1 787330278 AYYCGFAKEWFIME-CYVLTUHYSA-N 425.533 0.996 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(OC(F)(F)F)c1 793449459 CPTCMHAHQYDDPB-VIFPVBQESA-N 449.367 0.447 50 20 ICGD Cn1ncc(I)c1C(=O)OCC(=O)NNC(=O)c1cccs1 796610775 NDKKBKJSXOGGCV-UHFFFAOYSA-N 434.215 0.704 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 797368539 DADNIYRBJBNQEY-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD COCCOc1cc([N+](=O)[O-])c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 798114524 QNNGXZQTSPDCGH-LBPRGKRZSA-N 431.467 0.735 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 808937165 CFJAUQWKYPOOSP-QGZVFWFLSA-N 425.898 0.971 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1nc2ccccc2n1C 809984169 XEJRVYSMFYWBJP-INIZCTEOSA-N 425.493 0.760 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1F 810385321 RNXCNTADZDYRMP-UHFFFAOYSA-N 437.355 0.925 50 20 ICGD CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)CC)cc1 811681529 AUESKKIVAKUKCK-RYUDHWBXSA-N 434.540 0.398 50 20 ICGD Cc1c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cccc1-n1cnnn1 813033141 GTZSHJREBIKULU-UHFFFAOYSA-N 444.477 0.303 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 913415824 QOVAAMVITOBGIU-UHFFFAOYSA-N 434.430 0.113 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCc1cscn1 914444841 BLTSAMBISFSGCO-GFCCVEGCSA-N 425.488 0.926 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCCCCC2=O)c1 915905689 UEPOQPLPLJQGTF-UHFFFAOYSA-N 439.538 0.674 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2cn3c(n2)CCCC3)c1 916578262 AXJCLQHDFSNMRU-UHFFFAOYSA-N 434.522 0.656 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1[C@@]1(C)NC(=O)NC1=O 917717851 RAJUBRXYSXYUJS-GOSISDBHSA-N 434.430 0.079 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778916657 QMYXJNHBZVWFGO-UZUQRXQVSA-N 437.305 0.311 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1779030456 QQNIVZVEFOXPSW-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779605866 LCHYZHKKPRZLPR-CJBNDPTMSA-N 429.861 0.699 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781225138 UHVTUJJSNDIADQ-HZPDHXFCSA-N 434.280 0.858 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1782001679 JBTQLCNDWHILIW-JJRVBVJISA-N 428.331 0.966 50 20 ICGD CO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1782241615 OHQMXTVZVQTMHE-XPOIKGTDSA-N 433.509 0.669 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629696 QPHIHGKLFQBUGT-FINLKQIMSA-N 430.440 0.731 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnn(-c4cccnc4)c3)CCO2)C1 1783872768 HCEMZVICHYYFMV-FXAWDEMLSA-N 433.896 0.965 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)CCO2)C1 1783875661 SAISBPJIRPZGLN-ACJLOTCBSA-N 426.857 0.996 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784092428 LHLMUUCXCYLMRL-KANFNMMFSA-N 437.924 0.767 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3cccc3)C2)C1 1784566189 FFBROGGGTLPLJV-JOCHJYFZSA-N 440.504 0.411 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1C 1789562277 SRDXEFUVCHRNAN-BVSLBCMMSA-N 436.317 0.890 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1791254007 HPBKZMGVZVIHMN-AJNGGQMLSA-N 442.900 0.545 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CC1 1792972793 VKZBJENQFYFHTK-LXTVHRRPSA-N 445.944 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CSCSC1 1797846216 KLKOUKPDPGOBJL-UXXRCYHCSA-N 438.015 0.873 50 20 ICGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956783 YYMSBCHSUHGNEI-XEMDLRDOSA-N 446.617 0.497 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2)[C@@H](F)Br 1799350234 VTIHYYQMSCWYEE-ZMJPVWNMSA-N 426.246 0.623 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1801473440 NWTCRRUHGHENAX-HBCWATKFSA-N 427.461 0.032 50 20 ICGD CC(C)(CCl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1802896826 FDMXGNZDWXVTFY-RHSMWYFYSA-N 435.912 0.904 50 20 ICGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803436003 CHQJSJLUXSPKLY-KUDFPVQQSA-N 446.552 0.375 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)nn1C 1805596983 NGZHCFWLYXTYPU-UWJYYQICSA-N 441.536 0.816 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805650512 CQGMIDVHGXBUIX-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)on1 1805704026 ZVFGENIVYLCOAV-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807073623 NCKODROIINJSCD-DZLUEKEQSA-N 438.337 0.454 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364203 SPAGIWXSZROIEJ-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD COc1nn(C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807979097 CKLDRZDONYJYRD-UHFFFAOYSA-N 440.309 0.267 50 20 ICGD CCc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1811000141 RQNHQGPFLXBNTL-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814477393 OEZMEOZSXYGZJW-ZBFHGGJFSA-N 435.529 0.690 50 20 ICGD Nc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cs1 1815354472 DNYHBMRMTOKFLK-NSHDSACASA-N 443.319 0.401 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(CO)on2)[nH]n1)c1ccc(B(O)O)cc1 1817472509 NEDZLRBWQBYNHU-QGZVFWFLSA-N 439.237 0.190 50 20 ICGD CC[S@@](=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1819509977 GKFMCQKSFMJRDO-ILHIWHGASA-N 449.363 0.207 50 20 ICGD Cc1nnsc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085830 DEEBPDILEMUMDK-SNVBAGLBSA-N 437.551 0.902 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1831874727 UZZFKKVFLSDJPM-ROUUACIJSA-N 435.569 0.600 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236898 UWRVYNXYYMUKGB-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1834819210 KKKWOFMFOYXJNI-KRWDZBQOSA-N 429.267 0.495 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834825502 ZBYAUKIOYIGSLG-VEMDQMBVSA-N 432.315 0.268 50 20 ICGD O=C([C@@H](O)c1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835291454 QTRPEESKBLKRSO-RLFYNMQTSA-N 445.285 0.867 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC)nn3)CC2)CC1 1836057414 MJCPYLFCOFTIAY-INIZCTEOSA-N 439.944 0.924 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1ccnn1 1839710215 GTHDAXSFYOEBCT-XYPHTWIQSA-N 434.324 0.532 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1839965379 XBWITEYZXVLCFK-MEDUHNTESA-N 431.287 0.359 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007167 QNUJYLHGFLHEPX-XHNVJUCFSA-N 444.912 0.040 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030099 ADWRTKJMCLLBIY-SJKOYZFVSA-N 434.331 0.141 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n(C)n1 1840030952 BBIJHXYCEQGHAR-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840089277 MKRULWCJMZDXSA-VBHSOAQHSA-N 437.896 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1840151661 JYOVQHKNSXSOES-APWZRJJASA-N 429.876 0.473 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1840184801 CDMKCSFASPJCHP-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365794 NYSPUUAEPYFWIX-AUSJPIAWSA-N 440.928 0.225 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353567 FAIQHZWRMNKEST-IQUTYRLHSA-N 445.944 0.550 50 20 ICGD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)C(C)(C)C 1844263566 RGTQZIWGMZOPAN-MRXNPFEDSA-N 430.509 0.053 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 1845520821 ARBWULRKUIISDD-UHFFFAOYSA-N 446.508 0.851 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1846364101 YHBOCFMFKIENOB-UONOGXRCSA-N 433.933 0.719 50 20 ICGD COc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847397862 GXOGVUWUVKGWFH-IRXDYDNUSA-N 439.472 0.588 50 20 ICGD CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563823 LXZZJBFBARPXNR-ZSORPBTDSA-N 445.944 0.548 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 16098494 ZUPVLTCEHRWDLJ-UHFFFAOYSA-N 440.503 0.683 50 20 ICGD CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 205995674 GYFPIDVDJCJORY-QMDZLVRISA-N 439.424 0.694 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=S=C2CCOCC2=C1 728512109 KVIICTGFVLHLFG-UHFFFAOYSA-N 435.527 0.670 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1I 729275510 OWHAGCCQERUKJN-LURJTMIESA-N 429.211 0.129 50 20 ICGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)c1cc(Br)c[nH]1 729966787 QCFQEAAPBITZMH-UHFFFAOYSA-N 428.194 0.879 50 20 ICGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)nnn1-c1ccc2c(c1)OCCO2 732262729 VYKVQOWZEDDRQC-KBPBESRZSA-N 444.492 0.607 50 20 ICGD CN(C)C(=O)Cn1cc(C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)nn1 734257469 AJGZMDXZUYGAMO-UHFFFAOYSA-N 435.370 0.994 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)nc2)CC1 741424838 GZRFWNMESZJVJY-DJIMGWMZSA-N 438.554 0.457 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNc1c(F)cc(F)cc1Br)c(=O)n2C 741977774 SQBOIISAJDNVPA-UHFFFAOYSA-N 443.208 0.618 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)Cc1cn2ccccc2n1 746641064 MLPVBRNHJWKCMR-UHFFFAOYSA-N 437.428 0.671 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2OCCc3ccccc32)CC1 750537096 BDYNCKPJPQRJQG-GOSISDBHSA-N 431.518 0.775 50 20 ICGD COc1cc(Cl)c(C)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755410709 OEYZAOQKNJGGEZ-UHFFFAOYSA-N 449.855 0.257 50 20 ICGD CC(C)C(=O)NCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757664372 PTLMZZGGRXCGHC-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1C 757727968 YPNLBNRVGDPEAM-UHFFFAOYSA-N 440.503 0.773 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C)c1 761426109 SVPPCYZHWMMQQL-UHFFFAOYSA-N 449.533 0.536 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)n[nH]1 763118647 JFKVURYVCGALDS-CYBMUJFWSA-N 441.897 0.366 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)NC1CC1 763430752 LVZVMYBJTRENRY-UHFFFAOYSA-N 432.458 0.536 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2F)c2ccccc2O1 763678679 HLKQROGHBUMACC-INIZCTEOSA-N 431.376 0.319 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679543 NQBQWCMOOXMDRG-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c(OCC(=O)N(C)C)c1 763838965 CEFLXAHEXFDNCZ-UHFFFAOYSA-N 446.435 0.766 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 763863717 BGRSYUCGJAXEPN-CYBMUJFWSA-N 446.435 0.894 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)ncn1 763884735 XJJXBVHRYIIVJJ-SECBINFHSA-N 438.238 0.801 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)cc1OC 763903733 SOMNJXGSVLXBOV-UHFFFAOYSA-N 430.417 0.601 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764151940 ASEQEQKVTCQPIU-KRWDZBQOSA-N 447.469 0.196 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764164357 ONAJEHJUCHAJGC-KRWDZBQOSA-N 443.412 0.580 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 764285394 DGCFTFTUTHXMJN-UHFFFAOYSA-N 446.265 0.746 50 20 ICGD Cc1sc2nc(CCC(=O)NNC(=O)CNC(=O)c3cccnc3)nc(O)c2c1C 764345347 RZNHLYSJCOKBED-UHFFFAOYSA-N 428.474 0.919 50 20 ICGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)c2)cn1 764357778 AEGKSDVROHULKU-UHFFFAOYSA-N 437.416 0.476 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc(S(N)(=O)=O)c1C 772199024 KFECLLNOEDKPKC-UHFFFAOYSA-N 438.893 0.682 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 773726779 RLIKQOFKHRXDIN-UHFFFAOYSA-N 434.478 0.742 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 777648570 VBXINLGWNNDPCM-UHFFFAOYSA-N 425.217 0.331 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 778682509 JQLIRMPINZEHNR-BZUAXINKSA-N 431.493 0.999 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(OC2COC2)cc1 782120741 KPNSBIWGIKXONW-UHFFFAOYSA-N 437.412 0.755 50 20 ICGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccc(C)nn3)c2)CC1 783954068 URILQNCJVZZNIW-UHFFFAOYSA-N 447.521 0.193 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 785230388 AXUUTBRYYZCTSL-AWEZNQCLSA-N 439.476 0.610 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)cc1OC 786592232 DSJARRDYMJYLAN-UHFFFAOYSA-N 430.339 0.924 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787482828 FAHWLZJZHIBMMT-GFCCVEGCSA-N 436.494 0.360 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2)C[C@@H](C)O1 802023001 KRWQPKPHAYERJP-OKILXGFUSA-N 433.490 0.768 50 20 ICGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1 806748317 NBNRURYQMDCECV-CYBMUJFWSA-N 429.433 0.856 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)sc(C)c1CC 815691519 SHKAAMINVABOOU-LLVKDONJSA-N 448.505 0.736 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(C)cc1Br 815779860 ZIEDVOJNBHJOGY-GFCCVEGCSA-N 428.239 0.809 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 817054503 LYPOMOGDKRYPRQ-INIZCTEOSA-N 430.490 0.500 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)OC(C)(C)C)cc1C 849202486 ZAOLUTRISGOTHX-AWEZNQCLSA-N 428.511 0.772 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)NC(C)C)cc(C3CC3)nc21 914446003 MIFCZPGQRDJALL-UHFFFAOYSA-N 430.465 0.316 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914821551 GDRWCLIBJQEGAN-KSSFIOAISA-N 439.424 0.570 50 20 ICGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915165965 SFOVOQAUJBULDN-LICLKQGHSA-N 444.448 0.983 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 916229694 VGTREKLJTRWOKA-UHFFFAOYSA-N 434.474 0.651 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 917917597 CWJSJTMVNHUHOZ-JTQLQIEISA-N 445.548 0.169 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1 1116640334 OJTDRARADZKTJJ-UHFFFAOYSA-N 427.504 0.693 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1COC2(CCOCC2)O1 1319870002 KOXLNBFWFGHXHI-CYBMUJFWSA-N 441.510 0.154 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1779037558 CMUQXHTWTBTJFW-HZPDHXFCSA-N 425.382 0.537 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCOC1)C2 1779374656 APBXQCAJUWCWJM-YBOAYWMSSA-N 445.520 0.239 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780799033 RSSPWAZJOLLYIK-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD O=C(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)Nc1ccc(F)cc1 1780878375 GJXKTJGTQKTIQV-HNAYVOBHSA-N 427.860 0.584 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1781224415 KACLIUHVEIZAJT-MOPGFXCFSA-N 443.331 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1782214466 RGTYKQNNCATITG-OHHBCXFOSA-N 432.924 0.798 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782651387 JAXGSOBQNLYWOV-SBUREZEXSA-N 437.305 0.084 50 20 ICGD Cc1cccc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1783501848 MDWWVMYJFJUPHK-JIFXVDHUSA-N 449.316 0.377 50 20 ICGD COCCOCCOCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783680411 GFQXVHXCTFENSN-WMZOPIPTSA-N 440.896 0.047 50 20 ICGD Cc1ccc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783689227 JTMJWOXEUHZWOG-NDXORKPFSA-N 440.280 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccccc3)CC1)CCO2 1783932856 HMXJYGNOZAIEPY-QFIPXVFZSA-N 428.533 0.921 50 20 ICGD COc1ncccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933499 MFHHZLSRYPORES-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD O=C(CCCc1cccnc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784671321 IBWUADFBSSHWEL-QHCPKHFHSA-N 437.305 0.228 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cccn2c(O)nnc12 1787387473 GYVIDUFLYTWNFM-DLOVCJGASA-N 428.276 0.832 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]cc4c3CCC4)[C@H]2C1 1789165397 VQSUWMANAGZAQF-SZMVWBNQSA-N 431.537 0.470 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1F 1789432060 IXHLPKUYLKTPPE-QSFXBCCZSA-N 426.253 0.413 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924949 JDJHUMBNEUEEOJ-ZPFDUUQYSA-N 439.351 0.141 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291111 ZMKIVXMDSYCOMM-DZKIICNBSA-N 437.566 0.672 50 20 ICGD CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1793801450 MWJVMRITLMJBGY-RMFSNUHRSA-N 437.585 0.069 50 20 ICGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c(F)c1 1797251158 GZOXNJJYDQGRHP-CSHUHZATSA-N 428.888 0.956 50 20 ICGD Cn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c2c1CCC2 1798440221 GTLYAPRYSFLZGB-BTTYYORXSA-N 437.504 0.473 50 20 ICGD Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799799126 INEJNBWFVFKEBK-CEQLMSFQSA-N 433.273 0.064 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1onc2ccccc12 1799985563 ABTJHBBPJZGXNP-HBCWATKFSA-N 429.477 0.404 50 20 ICGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804460314 YIJFENFOFYGDJX-VDZJLULYSA-N 447.923 0.835 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnccc1F 1807824041 CAUDMNGWRSBIJV-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1812349508 NCJZUIKNRYOMQX-IYOUNJFTSA-N 435.868 0.262 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cccn1 1813422931 NMLXOKDWLXBTTK-LKUPVBHCSA-N 447.304 0.539 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825328465 CQFOOZDTQRMQAF-QWRGUYRKSA-N 449.371 0.125 50 20 ICGD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)cn1 1826935612 ULOFZOZAXXSMFI-HNNXBMFYSA-N 439.306 0.025 50 20 ICGD CN1CCC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827056410 YIULBVLQUMKENK-QFIPXVFZSA-N 441.381 0.942 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)CC1 1827575809 OUDWYGDRCZUCBS-IBGZPJMESA-N 439.520 0.884 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830543706 ZFLZAPZTJOWLLV-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830545148 GPCBOTSEUAAYPI-RHSMWYFYSA-N 444.330 0.156 50 20 ICGD C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830638419 PWCOZHXXLCYXTE-QHCPKHFHSA-N 442.321 0.205 50 20 ICGD O=C(c1ccc2ncccc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727826 HAQFJBYYFHTRBU-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD O=C(c1cccc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728348 RWJALMOUHTZASM-GHTZIAJQSA-N 433.892 0.905 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1831651841 SXSDETOFKAOIQJ-WBMJQRKESA-N 444.834 0.956 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230731 PKLFZGMFWWKIDN-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339079 CBZIEDYBMMLKLG-MAUKXSAKSA-N 442.310 0.564 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198152 VYLUAUSXWVCEJR-BBRMVZONSA-N 433.278 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3N)C2)C1 1840151826 OJBYFXBJSRDQEA-WSRXNHEDSA-N 437.924 0.992 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840155442 CAJRVXINJXRTGG-QKLQHJQFSA-N 433.977 0.675 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840156615 WRXSHNXECHVUEN-QRWLVFNGSA-N 444.887 0.915 50 20 ICGD CC(C)(C)OC(=O)NCCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347643 ARNFPPKFESOZFJ-AWEZNQCLSA-N 433.933 0.721 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1843912058 NDZADDWCMHXIFR-UHFFFAOYSA-N 435.289 0.385 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264606 OXXSUBGTIRKIBF-UHFFFAOYSA-N 444.879 0.873 50 20 ICGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845167272 RIXZWRRIRPXOHE-MELADBBJSA-N 442.969 0.387 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C 14843501 URCUTBRSEJSZOW-UHFFFAOYSA-N 436.468 0.902 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1O 725889543 JRYTWUJDPMTDMR-UHFFFAOYSA-N 433.486 0.706 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 726438698 DMBCUSZISHQCCJ-UHFFFAOYSA-N 439.475 0.317 50 20 ICGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)CCN1CCN(c3ccccc3)CC1)CC2 727228580 HDTUCULDSUHVGI-QGZVFWFLSA-N 426.525 0.444 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)CN(C)C)cc2)cc1 727761534 MHRQXQFVZWMSEC-UHFFFAOYSA-N 432.502 0.690 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 728018118 GLGLMNVHOLYDQY-CYBMUJFWSA-N 427.552 0.832 50 20 ICGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1cccnc1 728893433 MHLIXPCNGLFTOE-MRXNPFEDSA-N 429.502 0.925 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 730837026 XJOOJEQAZQKQKA-OAHLLOKOSA-N 449.485 0.690 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)Cc1ccccc1F 731330171 TWLXUAIUKLVOGE-UHFFFAOYSA-N 441.506 0.841 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 734983679 XTGJEOVFOKMQPH-ZDUSSCGKSA-N 430.552 0.777 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735189986 JRWYCIHJQKMHAW-UHFFFAOYSA-N 439.425 0.585 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1C 736824847 IIEBYIWLFQGRSM-UHFFFAOYSA-N 431.474 0.810 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 737768333 PWBFALPXAVXQRW-UHFFFAOYSA-N 441.444 0.423 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)COCc1ccccc1 737923712 VFHLLRMNADVGFJ-UHFFFAOYSA-N 436.446 0.627 50 20 ICGD O=C(COc1ccccc1)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621108 PIIBIDRFHCWGMO-UHFFFAOYSA-N 448.501 0.346 50 20 ICGD O=C(NCc1nnnn1C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 745909451 CJYMRPIAVZMXBA-UHFFFAOYSA-N 448.509 0.327 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccncc3)c2)C[C@@H](C)O1 747322618 FOAAWHCSBALGJM-HUUCEWRRSA-N 432.502 0.883 50 20 ICGD COC(=O)/C=C/c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 747597496 ZDVWHSXJCVSXMC-NYYWCZLTSA-N 428.430 0.472 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCn2c(C)cc(O)cc2=O)c2ccccc2c1=O 753441867 XJGWDCAWLHPNTI-UHFFFAOYSA-N 425.445 0.834 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 756098190 UBZYODLUORHKOW-LNMJFAINSA-N 426.473 0.820 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 757766011 YBYRSBYOFRWEPE-LLVKDONJSA-N 438.466 0.058 50 20 ICGD CC1(Cn2cc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)nn2)COC1 759909245 AGTMQTSCCDQOHK-UHFFFAOYSA-N 436.494 0.092 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763576988 FPYQWKVSDHFUQA-QGZVFWFLSA-N 426.429 0.623 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)cc2)c1=O 763727423 GALXGGFYIOEGMF-UHFFFAOYSA-N 449.471 0.110 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1 763794888 DFVVESLHNKMWFP-UHFFFAOYSA-N 444.492 0.343 50 20 ICGD CN(C)c1nc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc2o1 763806019 XYZMLVQIDDIMEZ-UHFFFAOYSA-N 442.388 0.967 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)cc1 763862231 WHJGJMXQTJZHLK-ZDUSSCGKSA-N 428.445 0.998 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)n1 763880443 FCFPVZDUPPHOSR-UHFFFAOYSA-N 441.536 0.816 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(-n2nccn2)cc1 763944558 MXNXWERJQJHULA-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CC2)cc1 766647209 BDEGLSYLOWZTCN-OAQYLSRUSA-N 441.576 0.909 50 20 ICGD COc1c(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)nn1C 766663664 LKLNLKANVCMVAX-UHFFFAOYSA-N 434.928 0.969 50 20 ICGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)c1OC 771598845 ZXHDMOIYXXFOML-UHFFFAOYSA-N 440.430 0.828 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 771964629 XUGMSFASBQLDIO-HNNXBMFYSA-N 430.461 0.184 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)c1 772632198 XQODZWDEELSSPW-UHFFFAOYSA-N 442.519 0.996 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)nn1 773497617 VUJPBNUAWYHGDK-UHFFFAOYSA-N 449.406 0.900 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 778712477 OBBZIFXKTIJZOG-CJNGLKHVSA-N 441.868 0.789 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc(Br)cc3)cn2)CCN1 783006175 PYNGKFAOIQFENF-UHFFFAOYSA-N 433.266 0.862 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ncnc2ccsc12 783254978 PHXMWILRZDSDNZ-UHFFFAOYSA-N 446.514 0.974 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cnc(Cl)c1Br 783426663 JAQWLQIVZXYOBV-CYBMUJFWSA-N 439.719 0.942 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003646 KGTCJQWDOJUVPL-UHFFFAOYSA-N 438.437 0.428 50 20 ICGD C[C@@H]1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CO1 784018870 ZUVYYXRZNJCBIU-ZBFHGGJFSA-N 425.507 0.213 50 20 ICGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1csc(N2CCOCC2)n1 784295235 UYZKSAVLCYQLLZ-CABCVRRESA-N 449.533 0.182 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)N2CCN(C)CC2)cc1 788166226 KBKDHQYJKINJQC-UHFFFAOYSA-N 425.555 0.638 50 20 ICGD CC1(NC(=S)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 789162785 VPYRVYMWWZFLTH-UHFFFAOYSA-N 426.564 0.688 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 789939507 NZSZKCWYKQUDMQ-CMLPIDDHSA-N 432.521 0.966 50 20 ICGD CC(=NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 793133696 CGWKPURWJLUQOQ-AWEZNQCLSA-N 434.478 0.134 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1-n1cnnn1 794075921 JTYCXJXYXXULPS-UHFFFAOYSA-N 425.405 0.358 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)ccc2O)CC1 806948234 ZBXBFHXJEXVDGU-UHFFFAOYSA-N 435.300 0.092 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 807546510 VVOPQKLBAZKPML-GFCCVEGCSA-N 436.918 0.309 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1C 874084019 GSXJUAUSLAYOKK-UHFFFAOYSA-N 425.488 0.655 50 20 ICGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)c1cc(Br)c[nH]1 916636405 BDPUPBROZWLAHU-OAHLLOKOSA-N 432.344 0.929 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)COc3cccc(C)c3)cc2S1(=O)=O 916741337 XTXSLCHHNLUOKB-UHFFFAOYSA-N 447.469 0.626 50 20 ICGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 917522508 HMIWFUBNERGLHM-MRXNPFEDSA-N 438.550 0.802 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1csc(N2CCOCC2)n1 918002149 SLPSVDYDZKMTFA-CQSZACIVSA-N 436.538 0.572 50 20 ICGD COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 920091147 WZLZFVQBMDGQEF-ZIAGYGMSSA-N 440.928 0.973 50 20 ICGD CCC/C=C\C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920444323 DMKMGVACMHHGCU-GHXNOFRVSA-N 438.488 0.932 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777783984 CJRVFDYWJKXJFQ-KUHUBIRLSA-N 436.900 0.438 50 20 ICGD Cc1cccc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)[nH]c12 1778450471 GQGKRQQTJYDRKW-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1779035702 LRJPZYSMPCMDAJ-LEWJYISDSA-N 449.458 0.874 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)[C@@H]1SC(=N)NC1=O 1779296016 ZKXYJGLFXKJBPB-XAYKYTGQSA-N 442.614 0.470 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781775337 XRAYZYWCOMWABS-UYAYXHRUSA-N 430.343 0.667 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1781897361 ISAORRTZNHDHBH-APNQJHFZSA-N 432.315 0.782 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cnccn2)C1 1782577634 PFOHSFNUPSOPFR-XMSQKQJNSA-N 446.552 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3F)C2)C1 1783359522 IMJGFNOLWJIXFH-OAQYLSRUSA-N 436.484 0.407 50 20 ICGD COc1ncccc1CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085025 ATSXBKWIQRFKDS-QAETUUGQSA-N 425.913 0.602 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21)[C@@H](O)CCl 1784091240 XTDXSQLJAPXVHT-DUPGQFARSA-N 425.869 0.046 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)s1 1784092674 LVHPZBNGZPDPTM-MHEUCROKSA-N 444.937 0.657 50 20 ICGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784096341 DVEHJDKFQJOXQH-FUJDEKNSSA-N 437.924 0.384 50 20 ICGD C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788239940 YGHCHGGSZKJBIM-QKWUAHKBSA-N 429.521 0.715 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1789860312 OSUSPOOYDYHAPY-LQSBQDLSSA-N 430.958 0.786 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789947890 BYVVWGQMOYUNSR-UMGGQSCQSA-N 446.548 0.807 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)C(Cl)Cl 1791297856 HKRLSOHIHNHWBM-GUBZILKMSA-N 440.374 0.630 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)CCl)cn2[nH]cnc(=O)c12 1792784095 PKWVMIMJHVDZCI-AGGWBTHJSA-N 435.912 0.799 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)CC1 1792983068 BHBSRUORVWDNOC-FZKCQIBNSA-N 431.917 0.044 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793826023 IMSBCFJJQWVZIZ-BTTYYORXSA-N 431.493 0.669 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C)noc1N 1796018995 JMTLYVMEBPDKEK-BQELMUNXSA-N 427.465 0.951 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)c1ccco1)C2 1797753878 JFGNMNNAQXXOOV-DRXBFXEBSA-N 449.414 0.273 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccn(C)n2)[C@@H]1c1cccnc1 1805735116 ZTLHPDXYVFXISG-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)CC1 1814871735 AKIBKZBQRCCELZ-HZPDHXFCSA-N 440.932 0.166 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1)CC2)c1ccc(B(O)O)cc1 1815347833 SANZJPNKWSCMIO-ZFWWWQNUSA-N 431.348 0.944 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cncc(F)c1)CC2)c1cccc(B(O)O)c1 1815355027 LTXNBYZMNXOMPN-HNNXBMFYSA-N 440.265 0.897 50 20 ICGD Cc1nc(C)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)o1 1815360514 IBTCCHYSACKHDU-AWEZNQCLSA-N 440.290 0.967 50 20 ICGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCBr)[nH]n1 1817354808 KTMDMCCCDWKNJK-PWSUYJOCSA-N 429.319 0.780 50 20 ICGD CC(=O)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821981220 NPDGAEURAULFNU-INIZCTEOSA-N 442.480 0.240 50 20 ICGD C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2)C(=O)O 1830545118 DXBVPYHMYZLKEU-MWZXSIIFSA-N 433.299 0.505 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719269 BMMDSZBGLAKVGT-JMSVASOKSA-N 427.723 0.074 50 20 ICGD N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccc(Cl)c1 1830723313 NFEVMFXNIXUGQW-BXWFABGCSA-N 446.331 0.396 50 20 ICGD O=C(c1ccnc(C(F)F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725892 SLSBKVSCPKHVHV-KDOFPFPSSA-N 433.839 0.689 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312995 PCMXUKORZZKKOQ-LJQANCHMSA-N 439.988 0.751 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838664361 FFXNPOXEDWPHRH-GUYCJALGSA-N 429.315 0.962 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203023 XEKAHSRNXUGVRO-CWSCBRNRSA-N 446.111 0.917 50 20 ICGD O=C(c1cccc2nscc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839574839 GPVTXECIJHKERM-LPHOPBHVSA-N 439.921 0.966 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358464 IZJRMYMGJORFHI-IRXDYDNUSA-N 434.324 0.361 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1840855481 IVJFXNDLXLKTEX-GJYPPUQNSA-N 433.933 0.001 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nc2nccn12 1844265083 TWKXCVXDYBFDMM-UHFFFAOYSA-N 434.460 0.167 50 20 ICGD N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c2c1 1845582088 NVKITFDSVKCLOO-UHFFFAOYSA-N 444.455 0.564 50 20 ICGD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385407 BVWZUMOJYMFUOB-OAHLLOKOSA-N 447.511 0.520 50 20 ICGD CN(C)c1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1846505594 CDOHLCLLVAQEAD-UHFFFAOYSA-N 435.333 0.882 50 20 ICGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847567977 IDPCRXUUYDYPGO-XDQVBPFNSA-N 447.916 0.244 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)CC1 1847945662 YTPMCKUZFNJVJN-CBVHJVASSA-N 428.294 0.161 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C1=NS(=O)(=O)c2ccccc21 21191433 VIVQPVAWAKUEKJ-OAHLLOKOSA-N 430.442 0.055 50 20 ICGD C[C@H]1CN(C[C@H](C)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 726448961 LSVCHHVCRABTKL-MELADBBJSA-N 443.595 0.075 50 20 ICGD COc1cc2ncn(CCCC(=O)NNC(=O)Cc3cccnc3)c(=O)c2cc1OC 728851022 IPRQPFZJOAMQIW-UHFFFAOYSA-N 425.445 0.979 50 20 ICGD Cc1c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nnn1-c1cccc2c1CCN(C)C2 731458703 OTGONHZNBKNPCR-MRXNPFEDSA-N 432.550 0.670 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 732200147 QNGDVNSZPZXYQH-CQSZACIVSA-N 440.522 0.100 50 20 ICGD CN(CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1)C1=NS(=O)(=O)c2ccccc21 733110107 ALAPKMOUVLYMJV-UHFFFAOYSA-N 438.469 0.714 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)COc2ccccc2)CC1 734882951 XTWFPTWZTLTOQI-UHFFFAOYSA-N 449.508 0.912 50 20 ICGD COc1ccc([C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)N2CCOCC2)cc1OC 735511966 IQPMJIXUGCHHFD-MRXNPFEDSA-N 432.481 0.455 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 741025538 GSUCWTNZXBTSSV-QWQRMKEZSA-N 426.539 0.818 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 745027054 BYABGOKOHQNACZ-UHFFFAOYSA-N 432.396 0.461 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750659977 LDZPAWLGZAAVIL-UHFFFAOYSA-N 425.467 0.120 50 20 ICGD NC(=O)c1cccc(OCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 751683869 JMYBMQAKOVQRAS-KRWDZBQOSA-N 443.412 0.085 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)c1 752279180 AAAXVNAZZSTJQB-UONOGXRCSA-N 425.507 0.549 50 20 ICGD CCNC(=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC1 753744784 FSFVZYXZDVNSKO-UHFFFAOYSA-N 425.511 0.187 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 756645792 IWOPCLLKSMHAOJ-UHFFFAOYSA-N 448.505 0.565 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@H]2c2ccccc2C)cc1OC 759924609 WUKXVCMZHCYDHY-HXUWFJFHSA-N 426.473 0.946 50 20 ICGD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916953 LIUXCEQPFJISMK-UHFFFAOYSA-N 443.807 0.502 50 20 ICGD CCN1CCC(n2nccc2NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)CC1 764139744 ZLFBTBATKCZVIV-UHFFFAOYSA-N 428.493 0.877 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764165346 XHCQWMIOPOGYMK-KRWDZBQOSA-N 433.428 0.765 50 20 ICGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)CCc1ccccc1 764193244 SQGVUURMNCGSFF-UHFFFAOYSA-N 444.513 0.606 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)c2cc(OC)ccc2Br)cn1 764232555 QKPFUZOFICWSGE-UHFFFAOYSA-N 440.254 0.700 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764338740 KIHLZMIZWSANNE-UHFFFAOYSA-N 426.495 0.610 50 20 ICGD CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 764380210 RZABSNWHFMPJKQ-UHFFFAOYSA-N 441.412 0.989 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 766636125 JWMAIWXQZWQGKC-CQSZACIVSA-N 449.360 0.643 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 766642348 GXGBRHDKGOYYQH-UHFFFAOYSA-N 440.460 0.704 50 20 ICGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644230 SMBOBGCEERQTQH-QGZVFWFLSA-N 449.577 0.240 50 20 ICGD C[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)n1nnc(-c2ccccc2)n1 777779522 NZYAMGFDRISHHU-GFCCVEGCSA-N 443.327 0.728 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 778706210 OMPVJIRCEPHAID-UHFFFAOYSA-N 441.400 0.530 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 778706916 IAIWQCQTKTVXAX-UHFFFAOYSA-N 430.392 0.884 50 20 ICGD COc1cccc(NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 780771079 AABPIQARNLTZKW-UHFFFAOYSA-N 436.490 0.806 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)C1 782967163 RXPUZIUOMDBJCG-UHFFFAOYSA-N 445.476 0.344 50 20 ICGD Cc1nc(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)n[nH]1 784003846 PRPBMIXYMYYBJS-UHFFFAOYSA-N 427.446 0.358 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(N(C)C)n1 784213397 LSEBLLHPTPVUHQ-UHFFFAOYSA-N 432.506 0.979 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNc2ccc(OCC(F)(F)F)cc2)n1 784367831 BNFNRQBAQFMIMX-UHFFFAOYSA-N 428.371 0.994 50 20 ICGD O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccn(CCN2CCOCC2)n1 784382803 NXGDYVFYPOFFSR-UHFFFAOYSA-N 437.844 0.859 50 20 ICGD O=C(CCC(=O)Nc1ccc2nc(O)[nH]c2n1)NNC(=O)CN1CCCc2ccccc21 787863593 GDNSEOVVSGYKQI-UHFFFAOYSA-N 437.460 0.982 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccc(C)c(C)c2)[C@H](C)O)cc1 791811722 WDQRULHIMAPVJC-JXFKEZNVSA-N 449.529 0.866 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NNC(=O)c1ccccc1 796682741 KKPHVJGRIXCLCU-INIZCTEOSA-N 434.493 0.932 50 20 ICGD Cc1ccc(-n2cnnc2)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 797940901 VEAMBNSEKYNGAY-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 798346578 KPNMYKFYRYZJCL-OAHLLOKOSA-N 431.518 0.771 50 20 ICGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N=c1cc[nH]cc1 802034323 IZYFDVZUGNQNKX-OAHLLOKOSA-N 430.490 0.810 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 807220952 GVKPNMGCLALWQW-JTQLQIEISA-N 441.428 0.991 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)CSc1ccccc1O)C2 807514010 IMEDCJDRDPWRPI-GJZGRUSLSA-N 435.550 0.898 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)ccc1Cl 817783830 CSYAUVRWZAZTPR-UHFFFAOYSA-N 434.865 0.702 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912921684 RXTMQOBWHURDCL-HOTGVXAUSA-N 440.566 0.977 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1cccc(F)c1 913391783 BBLDZIQXRRFFKG-UHFFFAOYSA-N 427.480 0.915 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCNS(=O)(=O)c1ccccc1 916295077 HLJOBMRTGKTCHB-UHFFFAOYSA-N 437.434 0.283 50 20 ICGD COc1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(C(=O)O)c1OC 917717590 UIUTYDMLNYXQJA-OAHLLOKOSA-N 438.414 0.552 50 20 ICGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 918210413 VDWQFWASCKZGSW-GUYCJALGSA-N 434.518 0.433 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2)c1nnc(-c2ccccc2)o1 919961990 RUAHNRVYCKKOLG-UHFFFAOYSA-N 446.397 0.829 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC(=O)N2CCCc3ccccc32)c2ccccc2c1=O 920045402 KODSOUVHTLJPTA-UHFFFAOYSA-N 434.456 0.857 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778055613 CMEHBVGJVGPTOI-BMQTXXJKSA-N 438.956 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Cl)cn3)CCO2)C1 1779032813 ZWEUHVDQAZLUIG-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccn3)C2)C1 1779454963 WQSGIXCZHCHKRQ-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780440675 GRRYFETVUQSWRP-HXUWFJFHSA-N 444.517 0.461 50 20 ICGD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783136258 AABIKPBTMKOQJC-IFXJQAMLSA-N 446.932 0.085 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783712555 SPJSPBNRELBNIC-BIENJYKASA-N 433.933 0.983 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1790961707 OUPUSPXOPOQHEP-NXOAAHMSSA-N 445.402 0.387 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1Cl)C2)[C@H](O)CCl 1792978124 DMRCRJOONYFMNM-YJKIEOBBSA-N 427.288 0.971 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c(F)c1 1792981927 ZSRXMGFKABVDSQ-QOIYZWAUSA-N 428.888 0.956 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2ccccc2[C@@H]1O)c1ccc(B(O)O)cc1 1793177997 IQUFBSISESPTKF-QWCYLASJSA-N 448.328 0.914 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794561327 QCEPCLKUHMYLEW-OXIQGZBJSA-N 427.299 0.989 50 20 ICGD COc1ccc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737018 SSXMMDSDAUVXAW-YVWYUNDQSA-N 442.252 0.031 50 20 ICGD CC(=O)Nc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cc1 1796188985 KJFJOEBQTUEMSJ-KOUNCHBCSA-N 449.316 0.819 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1799265318 DPHDJNFDPGPCTH-QPPBUOOMSA-N 430.914 0.059 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803234778 JBVSTXZOKWBBMF-IPELMVKDSA-N 440.504 0.417 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804066303 AREIRLGGDIXTOV-BCDXTJNWSA-N 445.325 0.533 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807026059 PCURMJHGZFMAJB-YCPHGPKFSA-N 432.845 0.830 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807191638 DRZXFZSZWPXTOR-ZGMNHVEMSA-N 440.342 0.464 50 20 ICGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCBr)[C@H]1c1cccnc1)C(=O)O 1807201605 RVASZUMATWMGFT-CPUCHLNUSA-N 441.326 0.935 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374233 FXUUYJNSBDKSRG-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](F)Cl)[C@H]2c2cccnc2)c(=O)nc1O 1808320385 ZEBVKTZDNUNXMA-BMFZPTHFSA-N 437.859 0.893 50 20 ICGD COc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809974852 BHDDGIOZMVYYOS-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](O)CCl)n[nH]3)cc21 1814869600 USUJCBCPTFGPHN-JSGCOSHPSA-N 435.872 0.255 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815106727 HWJFBEBBOOAYFC-ZFWWWQNUSA-N 435.529 0.690 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339927 VFJVXWKSMKZZGX-FABXCBLPSA-N 430.339 0.422 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474079 LHBIGYKIKCYADC-QGZVFWFLSA-N 441.297 0.310 50 20 ICGD C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793161 LNRQLPBPOLMWCI-NEPJUHHUSA-N 444.517 0.959 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793163 LNRQLPBPOLMWCI-NWDGAFQWSA-N 444.517 0.959 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829819450 KXPRZWRFZBLJCZ-NVXWUHKLSA-N 431.283 0.554 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831166440 GLNZFDVGSQMVTN-GJZGRUSLSA-N 431.917 0.403 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1831877173 SWECDJTUWPMJKW-FUHWJXTLSA-N 433.557 0.832 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1ccc[nH]1 1832880234 DDUQNABYTZKUEB-GOSISDBHSA-N 447.319 0.395 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1 1833964629 CIBQBBKUCBIEID-HXUWFJFHSA-N 445.501 0.130 50 20 ICGD CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834449264 PPDRZGFWLNYBEN-UHFFFAOYSA-N 430.553 0.916 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834819244 LSQDCZIEOYEMFO-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834819794 VELAOXSZBLUFPH-SFHVURJKSA-N 448.358 0.534 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1)[C@H](F)Br 1836413826 NJZSGXUHVOKSFM-HNNXBMFYSA-N 431.310 0.540 50 20 ICGD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)[nH]1 1836963379 XVDBHTLXBBKELI-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839330068 YUQQSDFYLNSYBK-HNAYVOBHSA-N 448.850 0.958 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840033170 WNKXGRVHNGDUKD-PIGZYNQJSA-N 444.282 0.346 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1840151153 WUVLQXDSWMZQNF-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)n(-c2cccc(=O)n2C)n1 1841350468 DSAMILBHQKNNMU-OAHLLOKOSA-N 433.896 0.296 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)CC(C)(C)O)C1)NC(=O)NCc1ccccc1 1842782879 XTEFSNQDWKTYTE-UHFFFAOYSA-N 431.537 0.697 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1843326106 WGLWYMOLPJJOLU-WDEREUQCSA-N 438.294 0.766 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc3ccc(F)cn23)C1 1845684669 FIGNIAMLIKAGDJ-UHFFFAOYSA-N 437.435 0.603 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1846384774 GSZQIGFZXJVNIJ-UHFFFAOYSA-N 428.493 0.245 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 28625781 DJFBTUGICIXHHW-UHFFFAOYSA-N 439.877 0.931 50 20 ICGD O=Cc1cccc(OCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728340606 ZLTKHEBVOKLODD-SFHVURJKSA-N 428.397 0.799 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 729274207 GNFLHNNLVHKWIV-SECBINFHSA-N 427.433 0.338 50 20 ICGD CCN(CC)CCN1C(=O)C(=NNC(=O)CSc2nnc(O)nc2O)c2ccccc21 730560490 YZROVZMIHVRYQS-UHFFFAOYSA-N 445.505 0.584 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 732476759 VNPQOYRSLHOLQL-QGZVFWFLSA-N 429.477 0.283 50 20 ICGD CCn1nc(C(=O)NNC(=O)COCCNC(=O)OC(C)(C)C)c2ccccc2c1=O 732548605 IWOMTTXYNJJUPG-UHFFFAOYSA-N 433.465 0.719 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)COCCOC)CC2)cc1 733123973 MPZZLKPHWWGWJE-UHFFFAOYSA-N 443.522 0.296 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 741143966 CWHXBRMAEFIZLT-CQSZACIVSA-N 438.506 0.785 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 745863751 WWDRVJINFVHIIT-MRXNPFEDSA-N 443.552 0.634 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1C 749890062 IGHZMNHCWNSRRR-UHFFFAOYSA-N 449.475 0.708 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCCCO1 755064627 XXJVSVMDSKABQN-KRWDZBQOSA-N 439.534 0.747 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)nn1 757392497 NDWXNDIGBUSBMB-UHFFFAOYSA-N 432.487 0.872 50 20 ICGD NC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nn1 757398154 DOBILOMUPLDZLH-JLHYYAGUSA-N 430.490 0.731 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@]12CCCO2 760142847 NQUZZHNRERBYDZ-FRQCXROJSA-N 440.522 0.608 50 20 ICGD CNC(=O)NCC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 761135608 LMGBRIGGAIOLKI-UHFFFAOYSA-N 447.517 0.506 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 763647902 SBEVXYDOVCKBSD-UHFFFAOYSA-N 425.405 0.144 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 763650806 QFSXLFXFQKYUJR-UHFFFAOYSA-N 434.474 0.376 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C(F)(F)F)cnc2O)cc1 763662453 WIXDPKQUSDUWHI-UHFFFAOYSA-N 428.323 0.980 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(F)cc1F 763673529 GETQGOUKENVLLW-UHFFFAOYSA-N 431.355 0.960 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)cc2C1 763942835 PBBYSUKCLUBWJF-NSHDSACASA-N 432.506 0.557 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 764177998 ZSXFDESJAPZSQY-UHFFFAOYSA-N 445.432 0.538 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764275219 KOUXQBSOTCCOLX-UHFFFAOYSA-N 437.416 0.546 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 764399329 KGSBXSSGSMUBSZ-GFCCVEGCSA-N 442.900 0.958 50 20 ICGD O=C(Cc1ccc(CC(=O)NNC(=O)CC(F)(F)F)cc1)NNC(=O)CC(F)(F)F 764460835 ANTDJCZQWIDCOO-UHFFFAOYSA-N 442.316 0.971 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NCC3CCC3)CC2)cc1 764512577 DLRZIAIDENWUSI-UHFFFAOYSA-N 439.607 0.597 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764514496 MTLVSOPZAOISRI-SJCJKPOMSA-N 430.442 0.212 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnc(-c3cccs3)s2)n(C)c1=O 764812735 QGKFNJIMFHCEOK-UHFFFAOYSA-N 429.487 0.769 50 20 ICGD O=C(CCCNC(=O)C1CC1)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766668040 HATLTSQITKSCJT-UHFFFAOYSA-N 435.956 0.911 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=S)Nc2ccccn2)c1 768583676 FTUIVBJIVAVOFK-UHFFFAOYSA-N 438.535 0.292 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCN3CCN(C(=O)C4CCCCC4)CC3)nc21 770393109 AJODKDHOKVQPCC-UHFFFAOYSA-N 445.528 0.420 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1O 770952319 MOEUMEOTBQSBIY-VIFPVBQESA-N 440.865 0.273 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)nc1 782145301 PXNYJAGXIKWUCY-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)c(OC)c1 787885615 DJOKRDGZROPCJU-UHFFFAOYSA-N 428.405 0.861 50 20 ICGD Cc1oc(C(=O)NNc2ccccc2S(N)(=O)=O)cc1S(=O)(=O)N1CCCC1 788222951 DMHWNAVDYAMOHB-UHFFFAOYSA-N 428.492 0.777 50 20 ICGD CN(NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 790298203 YZQMQJJRFRKVND-CYBMUJFWSA-N 433.531 0.334 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2=S=C(c3ccc(F)cc3)C=C2)nc1 792399622 IBCZCPHWMRSFLP-UHFFFAOYSA-N 449.489 0.978 50 20 ICGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)C2)c1 792649208 OXZDRHYAUUHODF-QGZVFWFLSA-N 427.417 0.169 50 20 ICGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 799715208 NHCZMUIWLCPVGR-HHHXNRCGSA-N 428.536 0.326 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccnc12 802068814 QGRSRJMZHNBKHC-UHFFFAOYSA-N 446.445 0.776 50 20 ICGD O=C(NCc1ccncc1OC[C@@H]1CCOC1)NNC(=O)c1ccc(-n2cnnn2)cc1 807615897 LTUBLJPMQXRKOO-CQSZACIVSA-N 438.448 0.617 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)c2)CCN1 812979548 BIWJTZNAVIUOTI-UHFFFAOYSA-N 448.483 0.359 50 20 ICGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915906395 IQKWIKVVWLZIFP-UHFFFAOYSA-N 437.522 0.331 50 20 ICGD N#Cc1cccnc1NCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 916641287 QYVGXLDJAYXHKP-UHFFFAOYSA-N 436.520 0.908 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 916830472 AWJABBDFYCIFPR-UHFFFAOYSA-N 447.469 0.716 50 20 ICGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689222 DHWUCUIBGKQIMJ-CYBMUJFWSA-N 449.467 0.957 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1251514330 NLBJBLSUTAFGIX-UHFFFAOYSA-N 425.488 0.858 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 1322957863 PEMIIGMCBNLEGR-FQEVSTJZSA-N 437.497 0.501 50 20 ICGD CCN1CCN(CC(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1=O 1326731060 AVQQFNSRZHKANE-UHFFFAOYSA-N 449.467 0.442 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccnc4c3)C2)C1 1777974237 UWRSANZKKCJLHS-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnco1)C2 1779371124 GFPVGZSKVRDTEX-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331259 HHOJIDANUKEBJR-BBRMVZONSA-N 431.262 0.800 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(OC)nn1C)C2 1782170925 GZTSVJHVXMQYGA-ZBQZNYHESA-N 428.917 0.810 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782636890 VRIJZTKUZAJXBI-GOEBONIOSA-N 431.262 0.635 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783348790 ANBLCMKJHQQIIY-GSNRHRRFSA-N 428.327 0.825 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783352466 GPAJHMNNLQIKIH-NHYWBVRUSA-N 432.344 0.900 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1783847007 YXLNXDBVXNMXRZ-XEZPLFJOSA-N 437.928 0.485 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1783933587 RFUHBHSMHBWRNS-NRFANRHFSA-N 435.500 0.356 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983362 ZUBWUYYQVRQBJT-NOZJJQNGSA-N 430.221 0.278 50 20 ICGD COc1ccc2[nH]cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)c2n1 1784091375 QKEAQPOPFFQTMO-MZGVZZPPSA-N 436.896 0.765 50 20 ICGD Cc1cn(CC(=O)NC2(c3ccc(NC(=O)[C@@H](O)CCl)cc3)CCC2)c(=O)nc1O 1786137654 VSJHLRJIUOZVGJ-HNNXBMFYSA-N 434.880 0.991 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788742371 GLZIMNCGCKJEIW-CXOVXGEYSA-N 436.322 0.961 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1789872433 WLQVLRAVGBDKCA-WZTLGTBRSA-N 431.320 0.459 50 20 ICGD C[C@@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC=CCC1 1791775132 NZAUYMSHRIUCFK-QUZFRVLNSA-N 426.322 0.706 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1794143719 NXUYRLLYZHLMGN-RNJOBUHISA-N 431.921 0.425 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1scnc1C1CC1 1794507303 JLUFVYGFEPKEIA-SCAQPMJSSA-N 441.318 0.217 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 1796191150 DYAINJKVCMVJLV-BCDXTJNWSA-N 445.325 0.485 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncoc2c1 1797075992 XUQSVDVHUDZDEW-YVWYUNDQSA-N 429.477 0.404 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798432593 ZGDAFKDPSOYGGZ-VZAMPYOESA-N 436.896 0.736 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1800762709 ZFSAPHFSMIXNQK-RDDKANTKSA-N 425.323 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncc(S(C)(=O)=O)c1)C2 1802273985 PRXAJEHVDHPHKX-HLPPOEQASA-N 429.926 0.991 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1Cc3ccccc3CN1)C2 1802333292 UCYVDFVQZMYLCS-IYWMVGAKSA-N 427.549 0.712 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807047489 GFMWKRYPMXWGHM-TXPKVOOTSA-N 435.601 0.532 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807367193 XQZNRDDOVGXCCZ-LKUPVBHCSA-N 435.289 0.119 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1808279180 AJVBXKFXUHABGO-SNPRPXQTSA-N 435.868 0.856 50 20 ICGD O=C(/C=C\C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)NC1CC1 1809972626 VBGAQOYAKNSWKH-HJWRWDBZSA-N 439.321 0.046 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195904 KGAWDLLINLXOSJ-TZIWHRDSSA-N 446.272 0.028 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1813030600 JXYJLRKATYLLCA-UGUYLWEFSA-N 425.917 0.788 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1813034338 IDUOTZABWVTBOE-MWDXBVQZSA-N 443.953 0.918 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2)[nH]n1)c1cccc(B(O)O)c1 1817474873 GWJBOHVHBDXSQQ-SFHVURJKSA-N 425.298 0.491 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccon1)CC2 1819795573 OOOUAGYLDQUHAW-VIFPVBQESA-N 427.446 0.669 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1 1820165281 CSSWDJQWAOCGLV-ZUZCIYMTSA-N 444.586 0.971 50 20 ICGD C[C@@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822183993 IPDZNZSZLNYOOZ-KOLCDFICSA-N 441.286 0.737 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cncn1 1822763183 NTXILKIKDVZXIB-CXAGYDPISA-N 437.269 0.248 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1823496813 PKVNPZZHAVAWDM-GHMZBOCLSA-N 445.954 0.862 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cncnc2)CC1 1825285683 JITSMZLFHMTEEY-NRFANRHFSA-N 436.321 0.632 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3ncc[nH]3)sc2C1 1826520156 BAYTVKDWSVXRBU-GFCCVEGCSA-N 433.538 0.784 50 20 ICGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1 1830219263 CAISIPIXIKPZGF-HNAYVOBHSA-N 447.315 0.989 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1830537417 HJUROHYKSNLAJS-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832559547 PSKRLFRQQMZRAY-WBVHZDCISA-N 448.289 0.981 50 20 ICGD O=C(Cc1cccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832715809 BQGGPRMQMBHAJK-KSSFIOAISA-N 432.304 0.334 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)s1 1833144435 IJWLYCKELIDTTM-YJBOKZPZSA-N 431.942 0.359 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717081 HBAQTCZPRREJLB-CJNGLKHVSA-N 432.949 0.292 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C1(O)CCC1 1837709155 WGKCEVFHMMHPSQ-QFBILLFUSA-N 428.602 0.845 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715298 HWNHPRWLZGFMRA-VQIMIIECSA-N 439.589 0.222 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792991 RMJNZHMIXJNJPA-KRWDZBQOSA-N 429.861 0.653 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838742893 QZJNZFRPTOYSKD-RXVVDRJESA-N 448.907 0.542 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc1C 1838985559 KQEWPQUFDUSSAW-OXJNMPFZSA-N 426.897 0.673 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 1839988980 FTZTZIOROXOJRX-KNKQGSTJSA-N 436.936 0.848 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1O 1840184986 GSGNBXNEOMWVPQ-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)n1C 1840186012 YQHUTBBIZCRXCC-JOCHJYFZSA-N 449.552 0.085 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840932564 NSAUETRQMLYLEK-JXFKEZNVSA-N 444.887 0.433 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1842894296 MRRMJQAPQWNNSS-PXNSSMCTSA-N 444.580 0.909 50 20 ICGD O=C(C[C@H]1OCCc2ccccc21)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013142 NMWYSMDYALTJMP-OAQYLSRUSA-N 434.301 0.888 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cnc2ccccn12 1847536139 IFJXPDMAZMPEAN-ROUUACIJSA-N 433.472 0.391 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556115 DBIYWBQBOGAQSZ-RFBLXINOSA-N 445.944 0.812 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 726278898 MWMSMFZWMAACTJ-NRFANRHFSA-N 425.445 0.823 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 726382280 NWYJIVACBAHWLN-UHFFFAOYSA-N 437.482 0.861 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(OC(F)F)c1 728609727 RBCDKVQJLBQBKS-AWEZNQCLSA-N 426.420 0.230 50 20 ICGD CC(C)[C@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1CCN(C)CC1 729046751 FMJKBWMMAPYWKY-SFHVURJKSA-N 432.573 0.295 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCCN1C(=O)CCC1=O 730068544 QVSWNZOQITYFCP-UHFFFAOYSA-N 430.509 0.068 50 20 ICGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 730813805 MVQYJLDOXVZEBD-UHFFFAOYSA-N 441.487 0.321 50 20 ICGD CC(C)(C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 731201818 SNTQUIZRJVRFRC-UHFFFAOYSA-N 432.458 0.367 50 20 ICGD O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)Cn1ncn2nccc2c1=O 732727282 HZORTBKXFZDYTL-UHFFFAOYSA-N 448.439 0.696 50 20 ICGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732751293 PYTRZVLCGUXKHZ-GJZGRUSLSA-N 427.548 0.049 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2c1=O 741143004 CGDYGIGWOFOZCL-HNNXBMFYSA-N 447.451 0.696 50 20 ICGD CC(C)OCCCNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744397016 WOQCMKUVDQPGKB-UHFFFAOYSA-N 429.521 0.963 50 20 ICGD CC(C)OCCCNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744397050 YGCREMVLINHTCV-UHFFFAOYSA-N 429.521 0.963 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 745919002 PYQUNNQGLCYNDA-ZFWWWQNUSA-N 430.465 0.722 50 20 ICGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 746184931 IQGKASPOAOLNNJ-MRXNPFEDSA-N 434.456 0.858 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCn3cnnc3C2)cc1 746601306 MNPQSNTZGMEBSF-YBEGLDIGSA-N 446.471 0.975 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 746881808 BBBHUMRHDLYJFG-UHFFFAOYSA-N 443.441 0.814 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1C 748112378 XVTJDRVZGKDBFT-OAHLLOKOSA-N 428.511 0.063 50 20 ICGD O=C(CCNC(=O)NNC(=O)C(=O)N1CCCC1)Nc1ccc(Br)cc1 748457733 RGYMZQSHBLWEBZ-UHFFFAOYSA-N 426.271 0.731 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 748608685 SZTMDNJPSWPQPS-CYBMUJFWSA-N 446.551 0.077 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748610144 DBXUBHPMJYUHCJ-YPCYXAEESA-N 443.428 0.677 50 20 ICGD CC(C)OCCCn1c(NNC(=O)Cn2ccc(O)nc2=O)nc2ccccc2c1=O 751891295 IKIQXWKCHAKDCP-UHFFFAOYSA-N 428.449 0.617 50 20 ICGD CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 756132897 RXSRIGJKWAWCEY-OAHLLOKOSA-N 433.509 0.996 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2cnc(OC)c(C(N)=O)c2)c2ccccc2c1=O 757692726 REYYGGOKERRKPJ-UHFFFAOYSA-N 425.405 0.385 50 20 ICGD O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(S(=O)(=O)CBr)CC1 758511634 CNGBLRRJZXZPKT-UHFFFAOYSA-N 446.245 0.694 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCC1CCN(S(=O)(=O)CC)CC1 758741129 CUBBHEZKXHFKRC-UHFFFAOYSA-N 442.538 0.856 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 759084484 IZCHDRJUVJUNBL-UHFFFAOYSA-N 434.478 0.870 50 20 ICGD COc1ccsc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 760335011 ONPNAEUZMZHQMP-UHFFFAOYSA-N 425.897 0.681 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1=O 763727057 DTZZFMFAJDBUPA-UHFFFAOYSA-N 438.488 0.873 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2nc(C)cs2)cc1 763738625 WDJPEHRUFFNKGD-UHFFFAOYSA-N 425.492 0.167 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763809233 SXXRNERXTNOEHX-UHFFFAOYSA-N 439.428 0.190 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763842410 ZWJVGVUNTOERES-UHFFFAOYSA-N 438.437 0.752 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1=O 763873829 WXPMZEWUEVSWSW-LBPRGKRZSA-N 448.407 0.104 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccccc1SCCC(N)=O 764135157 AQCZAKYFUABPMS-UHFFFAOYSA-N 430.486 0.991 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccco2)c2ccccc2O1 764168268 ACIRFGJVNXUOEN-KRWDZBQOSA-N 428.445 0.680 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764275215 KNIPIMZLGKOVCT-UHFFFAOYSA-N 430.417 0.755 50 20 ICGD Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425376 PAZMDSSLSAXAAV-KRWDZBQOSA-N 439.428 0.942 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 764516905 XOUDHHVVCXCNJF-SFHVURJKSA-N 439.472 0.498 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc2)CC1 765386115 JBVOVQFBRCBQMB-UHFFFAOYSA-N 448.524 0.391 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)COc3ccc(C(N)=O)cc3)CC2)cc1 766649630 RRDYOTCMHXRQSA-UHFFFAOYSA-N 439.516 0.438 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)n(-c2ncccn2)n1 768240623 ZGMAWNVZQBKSFG-MRXNPFEDSA-N 435.444 0.875 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1sc(C(=O)O)cc1Br 769630531 LOENVOAEWOHPLU-UHFFFAOYSA-N 442.313 0.823 50 20 ICGD COc1ccc(-c2ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s2)cc1OC 769928726 VRKORRSAEGYFEA-SECBINFHSA-N 428.492 0.526 50 20 ICGD O=C1COc2ncc(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cc2N1 770770174 RQIWEORFHNKPNC-UHFFFAOYSA-N 433.446 0.190 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 771939750 KETBEXYFIXNMNW-NSHDSACASA-N 447.460 0.855 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1 773070925 VYJSNCZHARUMBY-UHFFFAOYSA-N 447.473 0.372 50 20 ICGD CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 775240148 CQTGAFVSHZMVEO-GFCCVEGCSA-N 435.462 0.615 50 20 ICGD C[C@H](CCCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775781120 YCVDHIHYIGMDAS-CQSZACIVSA-N 426.477 0.240 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[C@@H]1OC 776526857 RKSVCQAXGHVXQM-ZACQAIPSSA-N 440.522 0.608 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 776900969 DVCOVXDITOBHOE-ZDUSSCGKSA-N 437.815 0.938 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CSCc1cc(=O)n2ccsc2n1 778437468 BZIFESLKMRZTLT-UHFFFAOYSA-N 427.508 0.661 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cn2ccc3ccccc32)[C@@H](C)O)cc1 779515470 QEVHJGXLERXPOE-QRWLVFNGSA-N 444.513 0.825 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 779538137 WKNDTQLBDLIPDZ-UHFFFAOYSA-N 434.478 0.870 50 20 ICGD COCCn1cc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C)n1 782753263 AAAVDKVRLADKRS-UHFFFAOYSA-N 436.538 0.531 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 782830866 NCDQBJRAGULCLF-UHFFFAOYSA-N 432.458 0.576 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1C(=O)N(C)C 782887489 QHINCCYKSXFEGM-UHFFFAOYSA-N 436.472 0.912 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 784001746 CQQZJRMDFUGBEK-UHFFFAOYSA-N 436.428 0.859 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 784004741 RVLPQRZJIXXZSZ-UHFFFAOYSA-N 441.444 0.468 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)n[nH]1 784060236 BEFJKBIAOUBSRR-UHFFFAOYSA-N 434.526 0.624 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 786417734 XTUWKDHCMLCLQF-UHFFFAOYSA-N 425.405 0.182 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1C 793348890 FLCABZMRJBEILB-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(F)c1 794587751 PGOSXHSURQFSRD-UHFFFAOYSA-N 437.453 0.628 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ccccc23)c1 800623362 NOGKYTXMCUNNKV-UHFFFAOYSA-N 447.451 0.715 50 20 ICGD CN(CCNC(=O)NNc1ccc(-n2ccnc2)nn1)S(=O)(=O)c1ccc(F)cc1 805430734 HNAHGDZCSMMQSC-UHFFFAOYSA-N 434.457 0.748 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2n[nH]c3c2CCCC3)CC1 806872077 DHHWLVXTQZINIE-UHFFFAOYSA-N 433.538 0.305 50 20 ICGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNc3cncc(Cl)n3)c3ccccc32)N1 806998260 UCHHQHJYGBQBGJ-RYUDHWBXSA-N 430.852 0.609 50 20 ICGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 810105376 AHKSHCKFTLFRGJ-INIZCTEOSA-N 435.506 0.348 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 810194501 WZGJROOYFAOPEW-UHFFFAOYSA-N 437.474 0.381 50 20 ICGD O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 812910706 CKPZZZSNVUDOEP-QGZVFWFLSA-N 440.412 0.360 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3ccc(Cl)cc3)c2)CCN1 812978963 GZOULZZWXMNMIG-UHFFFAOYSA-N 443.891 0.600 50 20 ICGD CCC(CC)(CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OC 813872528 BVEOCRNOEYLGLB-UHFFFAOYSA-N 442.538 0.857 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C3CC3)n2)cc1 815565193 FTGKZGUAIOUONJ-UHFFFAOYSA-N 445.501 0.674 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(C(=O)OC)c1 815567859 OAJPBXBBYIKMBV-UHFFFAOYSA-N 443.412 0.791 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cn3cncn3)cc2)cc1 849203081 HYVKITVIOUNVJH-UHFFFAOYSA-N 444.473 0.939 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913476979 XOJMNBXLEPDJHX-INIZCTEOSA-N 428.424 0.514 50 20 ICGD Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n[nH]1 916136156 IAFNLKIMPKWSTM-UHFFFAOYSA-N 430.494 0.795 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919889753 SNESFNYRUINJEA-UKRRQHHQSA-N 426.470 0.195 50 20 ICGD CCn1c(NNC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)nc2ccccc2c1=O 1116420457 YBEVQMGQMQNAPF-UHFFFAOYSA-N 430.486 0.868 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780010833 MJKUZTSIBPDPQD-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781860754 XMTWVGKENVNUCH-NDBSJYDGSA-N 425.869 0.186 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)cco1)C2 1782210707 DEYBKVYCZOXWNA-DYESRHJHSA-N 434.493 0.140 50 20 ICGD O=C1CSc2ncc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2N1 1782421196 NFEVLBVIRQRBCM-FZKQIMNGSA-N 440.909 0.169 50 20 ICGD Cc1ccn2c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnc2c1 1782492411 OLXBKTMPTNQBDO-QFIPXVFZSA-N 442.520 0.459 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168680 XXVIASBXEONFRY-KZCSGBEASA-N 444.438 0.838 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1783612981 CCCPGOHIMVRUNM-QJNYJZHLSA-N 449.907 0.721 50 20 ICGD Cc1ccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783933710 DXWBTYXJGSIDJN-JOCHJYFZSA-N 432.521 0.577 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4[C@H]3O)C[C@@H]21)[C@@H](O)CCl 1784084499 VMXAMDATMVZLIE-VHFSTGMOSA-N 436.936 0.862 50 20 ICGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785864448 UKRVJEFZRZLTJE-XRRVDJEJSA-N 433.278 0.713 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786975073 MNCHDVJLQAHBOM-XPCVCDNBSA-N 436.900 0.418 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21 1790571694 NGBOPRTWKPDBEH-NEULZYRMSA-N 439.409 0.686 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)C1 1791237041 GOVZNXJNYHCJHU-FQMQPWHVSA-N 430.929 0.545 50 20 ICGD Cc1nc(F)ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290863 BARLKFQIACPMLD-XIRDDKMYSA-N 435.500 0.495 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1C 1794927717 DOANLQYICJPXTN-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)cn1 1796563667 ALYYUHBSMPYUBX-XCCSTKFXSA-N 444.257 0.762 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)OC(C)C 1797861595 XCGNUPUDFJDHCJ-GLPAEGGISA-N 433.509 0.524 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1797956262 NEXOIGXDEWHCRH-GHHWKCCRSA-N 437.613 0.829 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443098 RXVWXDIXSAENGW-NXOAAHMSSA-N 430.553 0.915 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)nn1C 1798755913 PZAJJMGGGHPLBP-OHTBPHCPSA-N 429.315 0.663 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1)c1cccc(B(O)O)c1 1799930500 XRAVSJQWGFXABS-LFZDHENXSA-N 439.321 0.019 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cnc(N(C)C)o3)C2)CC1 1808028665 FAMSJJWHOWSPFT-UHFFFAOYSA-N 434.541 0.958 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969702 OEOSVQPRDSGETH-UHFFFAOYSA-N 449.316 0.624 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1810299831 UHJMIBZYNFHHEY-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067749 BVTGICJMKFNLKB-CEQIKUNHSA-N 446.552 0.375 50 20 ICGD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)CC1 1814574177 CZCMKGMNGHHRRN-GXTWGEPZSA-N 429.974 0.292 50 20 ICGD Cc1ncncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344022 CJBZRSWLHKLWGE-AWEZNQCLSA-N 437.290 0.461 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C1(O)CCC1 1817475320 NDDCUEXLKZPIQG-KSSFIOAISA-N 440.309 0.947 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cccn1 1817479838 UIKLUVZDIQGZLI-KBXCAEBGSA-N 436.281 0.853 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1822371338 TXZFVPNIWFIPIX-DZGCQCFKSA-N 449.899 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807968 MFJAMBVZRGVMCZ-GJZGRUSLSA-N 439.877 0.585 50 20 ICGD O=C(CN1CCCC1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056160 UPIOMFRYABZEEO-OAQYLSRUSA-N 427.354 0.696 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1830537816 PQPOIXBRXFLHKB-DYVFJYSZSA-N 429.315 0.521 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831649161 QITLGUUGRSPPEI-OCCSQVGLSA-N 443.342 0.941 50 20 ICGD Cc1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1831776772 YXYXIPBRHSMOPZ-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313558 KBFNQJZKGMSQGR-ZWKOTPCHSA-N 430.977 0.463 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)ncn1 1833496725 QZHZOYONXDDVRB-MRXNPFEDSA-N 433.248 0.049 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cccc1=O 1833873347 VKFHFKQFPOLANG-RTBURBONSA-N 446.331 0.692 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1834116672 KUVUOJRGQRVXOZ-QGZVFWFLSA-N 429.315 0.584 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1834131876 CIMUZWDGOAWISH-UGSOOPFHSA-N 442.310 0.944 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718109 QYQAGBILYXVEQJ-SFHVURJKSA-N 437.924 0.997 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1837809766 NATFMHKKXKRFRF-QGZVFWFLSA-N 429.945 0.861 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841630 PJUTWWJCIXSXFB-WFASDCNBSA-N 447.374 0.361 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839150352 KGCPIKGSRGFBSC-MSOLQXFVSA-N 431.320 0.712 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839197944 NRGYVPDWFOHGHJ-BBRMVZONSA-N 447.261 0.373 50 20 ICGD O=C([C@@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050603 OELWWIQATCUMOH-MPZWGZMNSA-N 435.290 0.701 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840149473 QEXMFJLLYTTYFO-XLIONFOSSA-N 431.961 0.429 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592542 QTBQLLAYYXEBJY-RDTXWAMCSA-N 433.343 0.779 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1N 1842989271 ABKAESNLNOROJU-UHFFFAOYSA-N 426.452 0.846 50 20 ICGD O=C(Cn1ccc2c(F)cccc21)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010473 UOSJSIXKWJVNFR-UHFFFAOYSA-N 435.264 0.977 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@H]1O 1847597797 OJRNFJGBNCEINC-CLAROIROSA-N 434.301 0.478 50 20 ICGD Cn1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c1C(F)(F)F 1848303879 SUGVCOFHIOBQEO-GJZGRUSLSA-N 436.199 0.248 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C 16785957 RZFUDILWKIHUCF-AWEZNQCLSA-N 431.536 0.221 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1csc(N2CCOCC2)n1 32797838 NFNCLVJKXHXRIB-UHFFFAOYSA-N 429.436 0.217 50 20 ICGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)CSc3ccc(Cl)cc3)nc21 109412884 ASLUSZBJLKRWDU-UHFFFAOYSA-N 436.881 0.476 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1csc(N2CCOCC2)n1 727365936 OLJFTZBVBGKZIN-UHFFFAOYSA-N 435.418 0.734 50 20 ICGD O=C(CCn1nc(O)c2ccccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728846271 WJNSMWUHQSTSMW-UHFFFAOYSA-N 437.460 0.346 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)N[C@@H](C)CN2CCN(C)CC2)nc1 730133803 GNFSCCYWRSJULW-HNNXBMFYSA-N 427.575 0.374 50 20 ICGD CCc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc(Cl)c1 731472623 HEXXSASHIJUPON-NSHDSACASA-N 426.886 0.614 50 20 ICGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 732245897 ITRTWHUVWBNTCL-UHFFFAOYSA-N 425.493 0.762 50 20 ICGD C[C@@]1(NNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCS(=O)(=O)C1 733651489 JWYXCKKCCYXMBN-LJQANCHMSA-N 429.587 0.092 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 735116852 INANQAZLAGDGJN-MRXNPFEDSA-N 445.501 0.243 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 740943944 XDIUDVFNEKVLAI-UHFFFAOYSA-N 426.495 0.010 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCc2ccccc2C1 740987240 OXWLEZWAOGACQO-QRWLVFNGSA-N 439.468 0.964 50 20 ICGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 741208008 XBGVISYFLHVTCV-AWEZNQCLSA-N 438.554 0.818 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 741826381 PXEMUIMBVNILNJ-UHFFFAOYSA-N 427.417 0.117 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742471117 OIJGHEKMVXEXLT-OHDICMOHSA-N 431.445 0.164 50 20 ICGD Cc1cc(NC(=O)CSCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)no1 744546691 LTUHZFIDKXITKL-UHFFFAOYSA-N 431.430 0.531 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 745823147 RSTGGYUUBINJIR-UHFFFAOYSA-N 446.438 0.608 50 20 ICGD CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745995959 FRROKCFMTAUQNN-VCHSTOLQSA-N 442.563 0.771 50 20 ICGD O=C(CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NCc1ccccc1 748330285 XLQPBFMMRPUSCP-UHFFFAOYSA-N 432.506 0.630 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)[C@H](C)OCCOC)cc2F)CC1 748627677 LZQWYQZMWKUNMU-HNNXBMFYSA-N 425.505 0.850 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc3ccon3)cc2C1 750269678 XYECEHLHNKPJGU-NSHDSACASA-N 441.535 0.925 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)oc1C 751142348 NTRJMPPAFFDSFV-UHFFFAOYSA-N 445.475 0.248 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 753130957 PSKWIYLSCQQNRW-UHFFFAOYSA-N 426.543 0.349 50 20 ICGD O=C(NCC(F)F)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 753981711 RHWPXAOGMDWBIJ-UHFFFAOYSA-N 440.428 0.307 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 756563205 MBTPKNSXQCZOPA-UHFFFAOYSA-N 430.450 0.890 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 758037076 XURZQRLGNVRDHX-HNXYLICVSA-N 434.877 0.084 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 758039171 IGGLPTMOZCXKNO-GXTWGEPZSA-N 428.511 0.380 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)Nc1ccccn1 758829102 BMFIGEUFLBULQE-HNNXBMFYSA-N 425.445 0.485 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)Nc1ccccn1 758840516 JCKRUWBQKYRFKA-HNNXBMFYSA-N 427.436 0.788 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(OCC(=O)N2CCOCC2)cc1 763197374 ZJXJOXYIEMAZKO-UHFFFAOYSA-N 439.472 0.589 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 763530176 FDKKTRPUHZXQMX-UHFFFAOYSA-N 449.511 0.997 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 763644869 NZQGSDZMHKPZLK-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 763661969 RLUZFDOZOVTXAH-UHFFFAOYSA-N 426.429 0.752 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1C 763665612 ZOIMHHTXDNHATA-UHFFFAOYSA-N 448.501 0.864 50 20 ICGD O=C(COC(=O)c1ccncc1Br)NNC(=O)[C@H]1COc2ccccc2O1 764140011 GRPZDTAFWXVQQE-CQSZACIVSA-N 436.218 0.988 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 764232126 RKDIKWAQGBEPRO-RXMQYKEDSA-N 431.685 0.670 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cn1 764243089 LOBUIQPPIKXGQN-UHFFFAOYSA-N 428.412 0.880 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764243284 QOAYSNTVSDZFNE-UHFFFAOYSA-N 428.470 0.972 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764270196 HOSXXUMHCURPAB-UHFFFAOYSA-N 433.490 0.439 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 764325521 NRBBZERQYCJGRC-UHFFFAOYSA-N 433.490 0.769 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 771045490 BCSMPDUNXARKFN-GFCCVEGCSA-N 435.510 0.232 50 20 ICGD COc1ccc(-c2ccncc2)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 774365547 SBJWWSZIADDLKV-UHFFFAOYSA-N 440.485 0.792 50 20 ICGD O=C(NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 776972694 MPWLIAPISPABAR-KSSFIOAISA-N 442.469 0.255 50 20 ICGD CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1C[C@@H](C)O[C@H](C)C1 777833110 RHZCVTXTAZCGOD-KFWWJZLASA-N 440.404 0.947 50 20 ICGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 778997499 DDLSLKOCIRIBSX-MRXNPFEDSA-N 431.537 0.533 50 20 ICGD O=C1CN(CCNC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)CCN1 781400493 KJHMQYAXOLKELE-UHFFFAOYSA-N 433.694 0.870 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 782967136 ROJARACZMAXHIM-UHFFFAOYSA-N 427.486 0.675 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)COc2ccccc2F)n1 786729701 HWIBJBURHCTMTG-UHFFFAOYSA-N 427.458 0.997 50 20 ICGD CC(=O)N[C@H](CC1CCC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 787459755 CKOURXNEUARUET-LJQANCHMSA-N 437.566 0.761 50 20 ICGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNC(=O)CNC(=O)OCc1ccccc1 794077145 QKGOSVYDIXJTGH-UHFFFAOYSA-N 439.428 0.566 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)cc1 794709633 CNEKLAJIONORMO-HXUWFJFHSA-N 432.502 0.787 50 20 ICGD CSCCNC(=S)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797748094 GWIVEZKGKQHKEC-INIZCTEOSA-N 432.593 0.300 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)NCC3CC3)ccc2F)CC1 801140630 RDKGUMRTLHIEMT-UHFFFAOYSA-N 441.485 0.033 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(Br)cc1 801997480 LHJCBZUUHJFHRL-ZDUSSCGKSA-N 426.271 0.729 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3)c2)CCN1 812979814 HSZJWJIAIBXBNP-UHFFFAOYSA-N 429.864 0.672 50 20 ICGD Cc1nccn1-c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1 813033550 YXRCGFXFMFVAPK-UHFFFAOYSA-N 443.489 0.908 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNc3cc(C)ncn3)ccc21 815593296 ILAUROGBALUQTJ-UHFFFAOYSA-N 448.386 0.868 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OC[C@@H]2CNC(=O)O2)cc1 914015750 UVKOQNXKTFFYDH-AAKUMTKESA-N 439.428 0.993 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 916377066 MWQYKTMSXVUHKA-KRWDZBQOSA-N 443.382 0.976 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)nc1 917745875 ASYZDNDEDWOEAC-UHFFFAOYSA-N 430.895 0.799 50 20 ICGD CS(=O)(=O)c1nc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2ccccn12 920274715 FCUOWTABNJHRHN-UHFFFAOYSA-N 440.441 0.704 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)cc1[C@]1(C)NC(=O)NC1=O 920832319 LOIXWGSKKJKTAX-KRWDZBQOSA-N 437.434 0.036 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781227820 QCKUJNGBIJQAKI-ROUUACIJSA-N 429.109 0.046 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 1783408790 XPASJRZVOGUWJO-PXDATVDWSA-N 448.328 0.615 50 20 ICGD O=C(CCCn1cccc1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784565809 KTGZKOINMZUXAT-JOCHJYFZSA-N 425.294 0.092 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787082147 GIKADHGSEUOCLD-ZOBUZTSGSA-N 437.569 0.841 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ncc1[N+](=O)[O-] 1787637477 ATEORLPXAFRTMR-RKLWJJNISA-N 426.857 0.491 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)Cl)C[C@@H]21 1788611259 QOBGMWLJZXTFGX-XDTLVQLUSA-N 431.827 0.110 50 20 ICGD O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1790591120 JLEQZNAVQMQTSS-USXUVBGUSA-N 447.261 0.231 50 20 ICGD C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1)n1cncn1 1791856482 KSKAQHJHISXRLX-HNNXBMFYSA-N 433.277 0.967 50 20 ICGD CC(C)N(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C(=O)OC(C)(C)C 1792594908 LZNTYHPVVLUKCH-IVSAIRAKSA-N 447.960 0.821 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115855 OIMMCRZAQWAMTK-NFFDBFGFSA-N 426.315 0.652 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)cn1 1796362650 AKVALXKRMXHJLR-AYRXBEOTSA-N 433.889 0.364 50 20 ICGD C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439635 TZOBTDYHBZQUQV-ODRBZYGGSA-N 445.520 0.693 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1Cl 1798802376 UJAHOAPRUKUCNZ-IVWMJMPLSA-N 443.891 0.856 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208404 GNMZODAXEHTCNC-BUWBCJGYSA-N 443.298 0.324 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C(F)(F)F)cn1)C2 1800975552 QSHFNJKXHXKATD-FBKDDSFISA-N 436.818 0.952 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc(OC)c1OC)C2 1800979170 VSOXVGIVDLZRIO-XFMPKHEZSA-N 427.885 0.556 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cl)COC)CC1 1800982715 JUFHESWXYFYDSS-YVSFHVDLSA-N 445.944 0.698 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805532500 MTCCIBDZSYQLEH-RXVVDRJESA-N 448.288 1.000 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cncs1 1805971570 DGWXDUXNWQOXJC-QFBILLFUSA-N 436.302 0.851 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n(C)n1 1807363457 PDPYUDHBJACOBS-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD COCCn1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)n1 1808654391 YXTSOSDLKUDZSD-CGTJXYLNSA-N 435.912 0.844 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cn1 1813071931 ZOMZPKVZUQQMBM-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412673 CPUSYSGQPJAHCI-AUECHBEKSA-N 434.497 0.894 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)nn1C 1825895092 WSTNMMKVGQHFHU-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052935 PDOSFXIJEMCPBJ-RTBURBONSA-N 444.341 0.047 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732896 YEXLYJBSWYCXOC-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831826900 APBXYNBVOPYIAU-LSDHHAIUSA-N 428.917 0.412 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CCn2ccnn2)CC1 1832245778 YDQVWDYANMNWLY-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD NC[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)c1ccccc1 1833310580 NNJSKVYBVZUBEA-WOJBJXKFSA-N 436.984 0.900 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](Cl)CC)C3)C2)cn1 1833435036 OKGFQZYIXBPICF-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834735040 PXFVJSLMVQXQFU-KRWDZBQOSA-N 441.649 0.002 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835991148 PWDDIEVXCUMJKH-VQIMIIECSA-N 428.917 0.063 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714912 CEYYYYFYYLCKEC-MRXNPFEDSA-N 444.891 0.994 50 20 ICGD Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)[nH]1 1836964433 IBNIPANDDAMCAQ-UHFFFAOYSA-N 434.541 0.703 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839151094 IAHAPQPWNXYLFX-ROUUACIJSA-N 448.303 0.392 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1 1839153262 DMHXSYZDGMKBTP-ROUUACIJSA-N 447.319 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840152412 HQIRDFRBZLJKSO-FZKQIMNGSA-N 444.941 0.739 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cccnc4n3)C2)C1 1840152999 APQSMGZSPXDJDF-IIBYNOLFSA-N 448.907 0.954 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ncccc34)C2)C1 1840155155 RBLOXBCEJPIABL-DYESRHJHSA-N 448.907 0.954 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013609 OUXHKQGUWJFVMP-UHFFFAOYSA-N 431.204 0.494 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 17406583 JQUHPUYQIWYLNX-OAHLLOKOSA-N 436.534 0.554 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(C)=O)c1 725897123 VZSMDJMIXGJIKU-LBPRGKRZSA-N 434.474 0.782 50 20 ICGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729966728 YPVYTUISUHFYGH-UHFFFAOYSA-N 442.497 0.888 50 20 ICGD Cc1c(C(=O)NNC(=O)COc2ccccc2O)nnn1-c1ccc2c(c1)OCCO2 731477264 YKPTYTUPRPTXIR-UHFFFAOYSA-N 425.401 0.893 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ccccc3OC)n[nH]c2n1 731493868 IWGBESVKVATGHE-UHFFFAOYSA-N 445.509 0.367 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732474150 IRJKCDGNWXDPFF-INIZCTEOSA-N 428.511 0.193 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3O)cn2)C[C@@H](C)O1 747571782 PXOXWRSTJIBSTF-OKILXGFUSA-N 446.464 0.456 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1I 749664826 KYTGJFPDJZLNBF-SSDOTTSWSA-N 426.207 0.626 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 755532309 OHTYSTMLVXAENT-LBPRGKRZSA-N 431.515 0.207 50 20 ICGD N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CNC(=O)C1 755931565 DRGIMCAPKFEGOT-DJXGBFBFSA-N 426.864 0.991 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 756097863 RMXHYUAOKSGYBV-IYVPYFHTSA-N 443.416 0.111 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COCc2ccccc2)cc1 756784095 LJQJNAXFUNFILG-UHFFFAOYSA-N 436.490 0.981 50 20 ICGD C[C@@H](CO)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 759639098 QRBHQPHIVPOWBT-CQSZACIVSA-N 428.511 0.060 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1 763659404 NNKBFVQBEGCBKU-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)COC)cc1 763711308 HAICCJARDFLZDE-UHFFFAOYSA-N 428.445 0.999 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 764400679 QWPFWCMOVQNPHB-HNNXBMFYSA-N 434.493 0.696 50 20 ICGD CCc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n[nH]1 765728619 NEHPQRDXZVALIB-UHFFFAOYSA-N 434.522 0.048 50 20 ICGD COc1ccc(OC)c(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765738343 JYGCITXGVBTURC-UHFFFAOYSA-N 440.500 0.852 50 20 ICGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765752273 PZZRJCKXGGKDTD-UHFFFAOYSA-N 449.939 0.534 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)Cc1cn2ccccc2n1 765758766 QDABWJZZMPJLAN-ZDUSSCGKSA-N 426.458 0.263 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767678604 FPCRVDFLUZHJME-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 768242304 ASESQGVNDSAIBT-UHFFFAOYSA-N 436.350 0.890 50 20 ICGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 768292358 YJJMEMQADMXYFQ-NRFANRHFSA-N 445.564 0.385 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2c1=O 769151601 AYTLJMFKLMOEIF-MSOLQXFVSA-N 442.520 0.645 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 769620918 IVELZAKUYDERDI-UHFFFAOYSA-N 426.476 0.540 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@H](C)O)cc1 770418023 RAKPNNQZANJDKW-UGSOOPFHSA-N 449.485 0.255 50 20 ICGD CN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771605494 AFZBFUAUAVBQPW-UHFFFAOYSA-N 438.893 0.668 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc1 771867143 HNTYBPRKVZOOQH-STQMWFEESA-N 429.495 0.487 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)n1 773723538 CJWPBADWBGGLPX-UHFFFAOYSA-N 447.253 0.969 50 20 ICGD C[C@@H](CCCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775781119 YCVDHIHYIGMDAS-AWEZNQCLSA-N 426.477 0.240 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 779846259 LESHKZMCTQVMRB-UHFFFAOYSA-N 431.364 0.769 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 780366714 XCXBGACNZLWIKP-AWEZNQCLSA-N 441.487 0.086 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781613489 GXHKTVOUVZQOTN-INIZCTEOSA-N 432.414 0.953 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 782833886 MVAVTOUVIWCOLY-UHFFFAOYSA-N 436.421 0.372 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C(C)(C)S(=O)(=O)C3CC3)CC2)cc1 786391242 LUKUQFXNVPYOTN-UHFFFAOYSA-N 436.578 0.616 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)n[nH]2)C1 787291657 VOOYFWYYBDSTTI-GFCCVEGCSA-N 446.464 0.918 50 20 ICGD CS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789810788 QIAFQNXUZTXUBK-IRXDYDNUSA-N 431.470 0.749 50 20 ICGD O=C(COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)NNC(=O)c1cccc([N+](=O)[O-])c1 792815267 AQLNGLVKKFRYGA-OAHLLOKOSA-N 447.425 0.860 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 798338768 HDFGQTUHECPQRA-UHFFFAOYSA-N 445.498 0.485 50 20 ICGD CN(C)c1c(C=NNC(=O)CSc2nc3ccccc3n2C)c(=O)n(C)c(=O)n1C 807976108 GLPHDWLGIKFDEZ-UHFFFAOYSA-N 429.506 0.279 50 20 ICGD CC(=O)NCc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 813033422 RZNGIINAPWDHCO-UHFFFAOYSA-N 433.490 0.655 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 815751843 QTYMYXQUJQJURS-UHFFFAOYSA-N 446.489 0.762 50 20 ICGD COCCN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 816561263 QSJGOPVVNZAMBZ-UHFFFAOYSA-N 446.957 0.563 50 20 ICGD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)[C@@H]1CCc2nncn2C1 816883992 PBKREFVXALDBLY-LLVKDONJSA-N 429.393 0.284 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 825800724 DLDGNMUXJMYIOP-UHFFFAOYSA-N 426.520 0.722 50 20 ICGD COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 913228739 BUPSFGHHOCNRGR-XCMFGDQWSA-N 447.513 0.477 50 20 ICGD CN(C)CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916006208 UMKSEHJEXJUUMD-UHFFFAOYSA-N 435.575 0.836 50 20 ICGD CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212670 SZDNZMRAWOYWIM-HUUCEWRRSA-N 443.501 0.167 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 920345036 SVYFXGSXYHXIMA-UHFFFAOYSA-N 436.446 0.662 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc2c1=O 1248696584 ZUYAUHSKADLIPT-UHFFFAOYSA-N 435.488 0.937 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1778198459 SDPRKUGZGGLHTA-DQGQVMHYSA-N 431.493 0.518 50 20 ICGD Cc1[nH]ccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778298802 HEGVAAMWVATSNW-DENIHFKCSA-N 425.294 0.444 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1 1779032174 DZFFRPMUFJAKRR-NRFANRHFSA-N 427.436 0.582 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779223075 DSJZJNCBLDMTJU-ZQIUZPCESA-N 428.331 0.918 50 20 ICGD N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1780347246 AMRPXFVVJHRUQY-ZJSXRUAMSA-N 447.300 0.679 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CC1 1780774456 AZRUPAOXWOGXEF-UWWQBHOKSA-N 449.365 0.438 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1781214024 OAJFBVRDOAKHGP-KSSFIOAISA-N 429.926 0.946 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785809 UERCIRJGHUZQCH-KUHUBIRLSA-N 440.884 0.994 50 20 ICGD COc1ccccc1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783326920 JMDOXISMKVODHK-QHCPKHFHSA-N 438.289 0.061 50 20 ICGD Cc1ncc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784685229 LTHSRTFLDAFCRC-YAQIIAKESA-N 441.318 0.288 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCSCC3)C[C@@H]21 1788611264 QROPEWJEGZAAMG-WBAXXEDZSA-N 447.561 0.422 50 20 ICGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)o1 1791720375 IKPYBKAINWQFNV-VDGAXYAQSA-N 426.278 0.104 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O)c1ccc(B(O)O)cc1 1793177993 IQUFBSISESPTKF-PMNYKWLYSA-N 448.328 0.914 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1795116629 YWYIHYVUPWADKC-DPIQGUFMSA-N 427.299 0.489 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848568 OTJCIUVKOTYAAY-OHTBPHCPSA-N 428.283 0.382 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188258 HZPSBCMYCRTFSY-KAOXLYBCSA-N 447.344 0.675 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc12 1797414707 SWIILZMLYQXDLU-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)[C@H](F)Br 1799347518 PBKGDBKAKMGCMS-JJTUDDRGSA-N 440.313 0.981 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1nc2ccc(F)cn2n1 1800132326 UUFKGJLDFLUWOB-QHBPRCKVSA-N 440.273 0.857 50 20 ICGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1C 1801012783 LJZSROYMNMXXKX-FEJSZKPUSA-N 446.548 0.509 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1802221466 KYGOJIYYSZVZLP-XJFOESAGSA-N 431.917 0.233 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cc3cnccn3)C2)CC1 1805721105 NJNZPJZQFRECBX-UHFFFAOYSA-N 437.504 0.563 50 20 ICGD Cc1noc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807522862 XAPMFSDMZZYCRL-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cc2n(n1)CCCO2 1809855804 YVQJZGZMETZXIS-YXJHDRRASA-N 433.896 0.980 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C3CCOCC3)sc2C1)c1cccc(B(O)O)c1 1814182139 OGUTUYHUULINST-HNNXBMFYSA-N 429.307 0.475 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CCC(O)CC1)CC2)c1ccc(B(O)O)cc1 1815348626 UCXUMQRJFVNTSC-SIWZUTFBSA-N 443.334 0.600 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)on1 1815712977 TWYLKXUOLJKNAT-SFHVURJKSA-N 437.265 0.935 50 20 ICGD O=C(CNC(=O)c1cccnc1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815782500 JWZBVLKPUQRDPQ-HUUCEWRRSA-N 434.884 0.827 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817262938 AMPBMMPIWKTNOR-BOFPYLFWSA-N 427.314 0.769 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474288 PQZXVBHHFAJAFB-GOSISDBHSA-N 441.297 0.264 50 20 ICGD Cc1cnn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)c1 1817648114 MEAUXWNVGPVWEE-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD O=C(COc1ccc(O)nn1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1824553229 GYWBCXQDJHWTDZ-SCZZXKLOSA-N 427.870 0.229 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n1 1825271066 LYWSIUHDWXIVRA-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCBr)CC2)N1 1826353299 VCHSSLLZZHXZRZ-UONOGXRCSA-N 443.342 0.989 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054803 KYRSTGWCFQEELD-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD Cc1nccn1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831180773 VJNIEWOEFDQBON-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD CC(=O)NCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831436784 BHFFOWYWJFWLBV-HXUWFJFHSA-N 429.326 0.126 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834893634 DYBPNSGBZNENPH-CQSZACIVSA-N 441.374 0.881 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnoc3)CC2)CC1 1835149434 PYFQNRPCZVVDFA-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835847142 QBWQGEPQHYEYKB-MEDUHNTESA-N 447.355 0.969 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)[C@@H](F)Br 1836412811 WPTUETIFTTZSCP-QGZVFWFLSA-N 447.349 0.871 50 20 ICGD O=C(CCCCn1cccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837617395 JDJLMCLJMOPQOV-XLIONFOSSA-N 427.929 0.715 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)cc1O 1837710222 PFQJNQHIYGHCBN-SFHVURJKSA-N 426.546 0.047 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1837711309 CVSOYLRNDPCARH-KRWDZBQOSA-N 432.619 0.311 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837807447 WSFJBORZBGNPST-BBRMVZONSA-N 433.278 0.787 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837943459 IZTJQUYIPZGZCN-LJQANCHMSA-N 440.884 0.510 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839513509 NEAREQIDMUOKNP-AUUYWEPGSA-N 438.843 0.940 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1840030426 LTBXOWOKTFVTSM-JJRVBVJISA-N 429.315 0.684 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840030953 BHWCZCNDWLNUHH-CXAGYDPISA-N 428.283 0.173 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1840150314 IBYWCYZMRLTVOM-ULMVMLMRSA-N 446.928 0.286 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840150965 URZPCDOXQDPMQZ-KUHUBIRLSA-N 444.916 0.446 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(C)C)n3)C2)C1 1840154245 QJNMCWRNHKFRPC-BEFAXECRSA-N 428.917 0.788 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415927 UKVIXRXOBWRFPK-JKIFEVAISA-N 444.330 0.327 50 20 ICGD CC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)n[nH]1 1842336043 UVHGVIXNGKCOFJ-WSDLNYQXSA-N 425.449 0.563 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c2cccnc21 1844151908 WTOKBTIPTXBYCA-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846364757 IJHUNESYSWFUGF-JLTOFOAXSA-N 445.944 0.816 50 20 ICGD C[C@@H]1Cc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2N1S(C)(=O)=O 23787553 ZNJKLANZWFRHNH-GFCCVEGCSA-N 441.473 0.448 50 20 ICGD CCn1c(NNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)nc2ccccc2c1=O 111036142 LZQGBXORJPFKQN-CQSZACIVSA-N 427.552 0.921 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=S)NCC(N)=O)cc2)cc1 727064352 CRQOBFCNPBQZBG-UHFFFAOYSA-N 449.558 0.410 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 730780392 WJHNAZJKSPVVFP-PBHICJAKSA-N 433.461 0.900 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCCN2C(=O)CNC2=O)c1 731118826 XHYUHQORKIYYSQ-UHFFFAOYSA-N 428.243 0.344 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cn1 741714885 VDUWWWCZMBQGLN-UHFFFAOYSA-N 442.307 0.950 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2c1=O 743285428 VXUGEIHPGDBUOG-QGZVFWFLSA-N 435.484 0.986 50 20 ICGD C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744386698 OYGFVFOXCAOFIJ-KRWDZBQOSA-N 426.521 0.338 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1Br 746249544 IWRKPCUPRBDLOS-LBPRGKRZSA-N 427.299 0.629 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 749753901 BISWPDCYXVDHOG-UHFFFAOYSA-N 436.837 0.726 50 20 ICGD CS[C@H](C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 752688562 JMEIECRWUZZGKH-CQSZACIVSA-N 444.579 0.722 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2nc(O)c3ccccc3n2)n1 752857838 KDPDFDRSWWMNBT-UHFFFAOYSA-N 429.458 0.966 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755277910 XGQHZSKEGCURFB-UHFFFAOYSA-N 434.522 0.654 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 755646391 YABRMZZJRPFHFI-JTQLQIEISA-N 433.918 0.912 50 20 ICGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 757798011 RKEQYAVKKFQLNW-KBXCAEBGSA-N 435.550 0.898 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 760086876 FVVNAQAASYTLNP-OAHLLOKOSA-N 430.486 0.733 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)nc21 760868739 SOBAPYSCBMBNIS-LBPRGKRZSA-N 448.484 0.418 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)COc3cccc(C)c3)cc21 763629834 IQESLHVZZIZOMK-UHFFFAOYSA-N 437.456 0.861 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)ncn1 763639298 DFIATBPCHVPJPM-UHFFFAOYSA-N 427.339 0.807 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)c2)CC1 763680489 JHIZXIMXSQGDLU-UHFFFAOYSA-N 443.479 0.738 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2c1=O 763790440 ISTIZRFPZHWKSR-UHFFFAOYSA-N 444.791 0.895 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccc(Cl)c1 764345891 ZWWYSDAQQQFSPQ-QAPCUYQASA-N 429.864 0.832 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 764425740 RWWFZBZBZSLJMQ-VIFPVBQESA-N 430.345 0.119 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765722284 VBVPUXTYFHAKAQ-UHFFFAOYSA-N 428.449 0.074 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n(-c2ncccn2)n1 768238702 SURRHFCCGLCPIB-UHFFFAOYSA-N 448.443 0.822 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 768290263 FEXUCJPAOZISEW-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CN1C(=O)C[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@@H]1c1ccc(Cl)cc1 768989473 XQVRUDMQCFNLIA-CJNGLKHVSA-N 430.852 0.976 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1 770436556 XDNPUFMFBVJRDR-YOEHRIQHSA-N 441.554 0.380 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 770513491 BARPRPHAAYAYKO-ZDUSSCGKSA-N 446.957 0.947 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)nc21 770981842 CHSZFLMKORFBKT-LBPRGKRZSA-N 425.405 0.546 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 771985119 NJLFFUNIYDWUKW-NEPJUHHUSA-N 437.449 0.554 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 772071736 PBCXCPCGAVBGLJ-LBPRGKRZSA-N 438.485 0.953 50 20 ICGD CC(=NNC(=O)CNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)NCC(=O)O)cc1 777900384 MBWGMVNEFUXZKJ-UHFFFAOYSA-N 428.467 0.414 50 20 ICGD CN(NC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704188 KPGJGBRLKSEDKI-SFHVURJKSA-N 427.527 0.688 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(Cn2cccn2)c1 784005118 PJZINHHFYCGLHG-UHFFFAOYSA-N 426.458 0.509 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1nnc(O)c2ccccc12 784293353 WGLVHSZYDYISAE-HOTGVXAUSA-N 425.445 0.538 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)n1 785231979 IXYNFJWEDJPJSY-UHFFFAOYSA-N 441.492 0.877 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 788174945 OESJEEHTASTCSE-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD CN(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788917809 VQKNVOVJWPSRMZ-UHFFFAOYSA-N 435.547 0.451 50 20 ICGD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 789869941 WXRNZBQVVKPCAJ-AWEZNQCLSA-N 447.579 0.939 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1 795180075 PIZKYCHJAIJICJ-OAHLLOKOSA-N 444.504 0.884 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1Br 797012715 SBHCSCGRIAIWKT-JTQLQIEISA-N 440.172 0.969 50 20 ICGD CN(CCNC(=O)NNC(=O)Cc1cn2ccccc2n1)S(=O)(=O)c1ccc(F)cc1 798098302 WNZWKFOAGLQSEC-UHFFFAOYSA-N 448.480 0.667 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)Nc1ccc(Br)cc1 801995677 RPDFTDDGYZTZNZ-HBJVGIJOSA-N 437.250 0.764 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 807369495 WJUWKFAWKVMOOR-CQSZACIVSA-N 446.526 0.629 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H](F)C(F)(F)F 809933880 YSXSMSUPRKFSKN-CQSZACIVSA-N 441.403 0.688 50 20 ICGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 810318089 OYZJPQMUFVFQRS-UHFFFAOYSA-N 449.514 0.421 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1S(N)(=O)=O 812429199 GSOFBVQNVXQJLR-LLVKDONJSA-N 440.453 0.780 50 20 ICGD CN1CC[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 849573306 RRCVZUVBNVUYQR-DLBZAZTESA-N 432.912 0.573 50 20 ICGD CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N2CC[C@@H](B(O)O)C2)cc1 864234891 XXKFUADPONFJRO-SJORKVTESA-N 438.355 0.593 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 890565526 DPNZCKBROAVESL-OAQYLSRUSA-N 445.497 0.935 50 20 ICGD CN(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 914604329 JHNABHFQBTWION-AWEZNQCLSA-N 433.527 0.716 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 916734831 PUOZIVCPSANEAA-UHFFFAOYSA-N 432.506 0.927 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 919883369 CLUBFJUBDXHKKN-UKRRQHHQSA-N 442.925 0.710 50 20 ICGD CCC1CC(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)C1 920975893 JVBVVIYEBOPXOY-UHFFFAOYSA-N 435.502 0.784 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)c2ccccc2c1=O 1319740346 LTHOPCUEOWBJBB-GFCCVEGCSA-N 436.490 0.160 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ncc(C(N)=O)cc3Cl)CC2)cc1 1320365095 HPORYHLNDMQZIG-UHFFFAOYSA-N 444.923 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cccn4cn3)CCO2)C1 1779032567 UCGOHEGSLABZEL-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD O=C(O)c1cnncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779529379 NOLLDIJTNCLXAV-IAQYHMDHSA-N 431.218 0.309 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071276 FLNRVDRPYYZUHS-SJKOYZFVSA-N 425.898 0.784 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)nc1 1780963479 VEAURTKRWAGIJO-MGPUTAFESA-N 425.913 0.977 50 20 ICGD COc1ccc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781777456 RSUVSDIIWQVNES-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@]1(F)Cl)C2 1782214472 RGTYKQNNCATITG-TWKYDXJASA-N 432.924 0.798 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783348101 VDORBFNKWWLFLY-MEDUHNTESA-N 429.271 0.505 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1OC 1783935357 NLFDXBTYJZKDHI-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936038 QLJYNOFKAKHHEQ-IIBYNOLFSA-N 432.525 0.085 50 20 ICGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1784227618 KHAHVSJNVIBRJZ-WDSOQIARSA-N 431.537 0.285 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784582016 HXAXXYJJDIZXCN-OPAMFIHVSA-N 426.278 0.282 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1785007216 GJWZOWFAARUIOG-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C(=O)OC(C)(C)C 1786621871 RWSYAGMXGGPEAZ-XQLPTFJDSA-N 433.933 0.433 50 20 ICGD CC(=O)NCCC(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789521679 CTYGPUFLZCHVPO-UHFFFAOYSA-N 438.488 0.959 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CBr)C2 1793530341 SWUYOBFBGDYFGQ-VJTDZRGJSA-N 438.388 0.983 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793982735 RJSZZGFWGRWBJO-HRJSJKBJSA-N 437.880 0.174 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)F 1795161624 GSJRNIUIQSQWQH-USZNOCQGSA-N 425.860 0.973 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800756702 HAQUJVCOVGINIJ-NJBDSQKTSA-N 430.259 0.164 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(C)(C)C)[C@@H]1c1cccnc1 1807101053 PNNOCMKELDQINP-UTKZUKDTSA-N 432.569 0.849 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359223 GHPQBFNXUWVBLR-HGWQEYRNSA-N 439.321 0.488 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)CN(C)C)[C@H]1c1cccnc1 1808413901 CIEXAVSVCKFXOY-QOZRKGCKSA-N 439.520 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1c1cccnc1 1813070009 DBTWJJWVVHBGCC-OXJNMPFZSA-N 427.509 0.508 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H]1CCCS1 1813612126 QXAQUMUAUJPAMZ-DFQSSKMNSA-N 439.346 0.977 50 20 ICGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Br)CC2 1814326003 IWSMDJCZANBFPI-LHLIQPBNSA-N 428.305 0.790 50 20 ICGD CC(C)(C)[C@@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814818350 USEFEESGICVOAO-WMZOPIPTSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1C[C@H]2CC[C@@H]1O2 1822211344 FBYUDRRZTNJCLO-RWQQGDIJSA-N 438.293 0.963 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1)C(Cl)Cl 1822418835 ZCQIYUCUISCYRG-VIFPVBQESA-N 428.213 0.930 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCC1=O)CC2 1826085108 FAMKOPQYMZVAGQ-LBPRGKRZSA-N 436.538 0.051 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1830546626 TWYBRJGHTYSHOU-RDTXWAMCSA-N 443.342 0.450 50 20 ICGD CN1CCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830727745 CTUZWBUTXBOPSE-WIYYLYMNSA-N 437.924 0.349 50 20 ICGD Cn1ncc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cccc21 1830731085 HVXLPUWQGHAEMD-XLIONFOSSA-N 436.896 0.243 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830738820 UVMWOVFUAPRNFN-DYESRHJHSA-N 440.924 0.602 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833122928 ZNZMSWFLVJQXTL-RHSMWYFYSA-N 428.961 0.338 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1834823062 HCDFKQVQSSMAGQ-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(C)C 1834823265 LWKUPHKESYHOHI-AEFFLSMTSA-N 449.342 0.816 50 20 ICGD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1834847921 AWBKXXRQOMVTID-SUMWQHHRSA-N 435.315 0.427 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413717 KZDIOSKTXGFVHA-RDTXWAMCSA-N 446.342 0.239 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1836918892 MKOOPRWLVNRPJC-DLBZAZTESA-N 430.977 0.985 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837001528 MOSPPWSORPYIBE-UZLBHIALSA-N 436.896 0.658 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(C)C 1837215796 HSEFJOSPJFSYJY-FUHWJXTLSA-N 449.342 0.816 50 20 ICGD Cn1ccnc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837535515 WFVYMIULLIXGKS-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717333 CDVUQCAXPBGTJU-MAUKXSAKSA-N 434.631 0.408 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1838082998 XGEIZHPFCCMVAI-OAHLLOKOSA-N 427.864 0.722 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260557 SVBDUTNABXZTDO-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839198479 FLLAQULBUAFSTB-ZFWWWQNUSA-N 435.250 0.067 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)ccn1 1839200339 IVUSFCLLIWDORG-WMLDXEAASA-N 446.273 0.851 50 20 ICGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200688 PJXOUGPWZUTDKS-KBQLTHKRSA-N 446.273 0.845 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cc1ccncc1)CCO2 1839660885 GTLAETZNRMNHSW-MMOPVJDHSA-N 439.940 0.970 50 20 ICGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031346 NANMGZKTELDFTR-MGPLVRAMSA-N 433.278 0.711 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840037136 UTLDKOVGHVCJCW-XHDPSFHLSA-N 448.343 0.137 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421597 YDURVAYNKMUQRP-JKIFEVAISA-N 444.330 0.469 50 20 ICGD O=C(c1nccn(Cc2ccc(F)cc2)c1=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349645 FHPDRJXOAWMXDJ-INIZCTEOSA-N 448.882 0.847 50 20 ICGD O=C(c1cc(-c2ccccn2)[nH]n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011824 XUTPEVWDNMIKHP-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD CC(C)(C)c1cnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844264191 QXQPNPKTDNTRQH-UHFFFAOYSA-N 437.504 0.903 50 20 ICGD CC(C)N(C)CC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039311 DQPSANCFXLWKPH-UHFFFAOYSA-N 444.580 0.876 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 26772723 ZLDQXZIMXYRYPI-QGZVFWFLSA-N 431.470 0.545 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 111104804 SYWHRRWVLZBJJU-GOSISDBHSA-N 448.443 0.621 50 20 ICGD CC1=c2c(nc3n(c2=O)CCCCC3)=S=C1C(=O)NNc1nc(-c2ccncc2)no1 726370979 ZOFOEGDFULSLHZ-UHFFFAOYSA-N 437.485 0.899 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)NCc1ccccn1 726538745 WWJGQOXBYDUMST-UHFFFAOYSA-N 443.485 0.982 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1F 727499705 SOVLHHAAJOQROH-UHFFFAOYSA-N 438.462 0.997 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 728322123 CLCHOJSJCOUDTK-PBHICJAKSA-N 431.445 0.166 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1Cl 728509854 AGXZXDRJAUWLCO-LURJTMIESA-N 434.721 0.350 50 20 ICGD Cn1nnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 729166098 LTXNMCJWDFFQKD-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730672704 KBAGRMCOTBXUKJ-UHFFFAOYSA-N 430.552 0.391 50 20 ICGD Cc1noc2ncc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cc12 735117920 JCVQXHBMIHJWHK-UHFFFAOYSA-N 431.478 0.619 50 20 ICGD O=C(NNC(=O)c1cc(N2CCNC2=O)ccc1F)c1csc(N2CCOCC2)n1 737766583 SCZBJYIMTVKXNY-UHFFFAOYSA-N 434.453 0.723 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1C 742239710 BOOXZTFXEIDWSZ-KVQRZVDBSA-N 429.473 0.769 50 20 ICGD CC/C=C(\C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 747149259 DBLLHUXFFFQHCG-OQLLNIDSSA-N 438.488 0.932 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 747618013 YFVSUDRRLSQAOG-UHFFFAOYSA-N 436.284 0.762 50 20 ICGD CCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O 749753974 DVEWTUXPCXHQFL-UHFFFAOYSA-N 440.503 0.864 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 751198796 HLCYBWSUYJJTHM-CYBMUJFWSA-N 428.401 0.190 50 20 ICGD NC(=O)c1cccc(OCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 751297583 LDHYMHUMWOUIRD-UHFFFAOYSA-N 439.516 0.914 50 20 ICGD CN(C)c1ncc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1C 751807512 SLYXLZWYVUTTFN-UHFFFAOYSA-N 428.541 0.529 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2(CS(C)(=O)=O)CC2)nc1 753019241 GRLPNHIXFKORHC-UHFFFAOYSA-N 433.556 0.563 50 20 ICGD Cc1oc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C 753615805 CIIYRVXUJIANAO-UHFFFAOYSA-N 433.487 0.307 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)c1ccc3c(c1)OCCO3)OCO2 753839495 AJRVPQILJDQDPE-UHFFFAOYSA-N 443.368 0.373 50 20 ICGD NC(=O)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2I)nn1 757405103 YJYSTWUYKLFNDU-UHFFFAOYSA-N 428.146 0.845 50 20 ICGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)c3cc(Br)c[nH]3)C2)nn1 762555550 BIZKFKXUIUCLJM-JTQLQIEISA-N 440.258 0.847 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763456033 VJVUOBVZPLBWKE-UHFFFAOYSA-N 429.389 0.509 50 20 ICGD CCn1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 763511333 ACCBCFVYQUGCOQ-UHFFFAOYSA-N 448.505 0.477 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 763662358 XVMGFFMCXSMNPH-UHFFFAOYSA-N 446.435 0.836 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 763681843 NVFYLHHNJLZCPI-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1 763738702 WUQSFVPIBHVTSN-UHFFFAOYSA-N 444.513 0.890 50 20 ICGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 763791399 RAFFBUPEBLIQTD-UHFFFAOYSA-N 438.444 0.763 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763804442 SREFXJJRCYHYHB-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(COc2ccccc2)c1 763996868 GIUWVHVQIDADKQ-HNNXBMFYSA-N 431.470 0.786 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1N1CCOC1=O 764163144 HSEULJNYCDCACN-KRWDZBQOSA-N 440.412 0.741 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764223433 AZDXMFVTBIZKBB-UHFFFAOYSA-N 437.456 0.847 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 767823263 SWWBZJKZCBPOMM-OALUTQOASA-N 445.564 0.762 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)cc1C 773195028 ZDDKUZXJYSKMAY-MRXNPFEDSA-N 445.563 0.983 50 20 ICGD O=C(NNC(=O)c1cc2c(O)ncnc2cn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 778296320 VLWOQYITPJYDRI-UHFFFAOYSA-N 442.457 0.590 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1 779489843 VAPVQJWKWZILHG-GJZGRUSLSA-N 425.430 0.128 50 20 ICGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c(O)c1 780376480 BOWIBRZBUQSSLF-UHFFFAOYSA-N 425.488 0.765 50 20 ICGD CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 780527164 ODIRIQQBQGRGQP-XCLFUZPHSA-N 426.514 0.855 50 20 ICGD O=C(NNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 782831259 BSOREAFRNVJHHX-UHFFFAOYSA-N 446.485 0.967 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCS(=O)(=O)C1 783428541 VYHHOBUBESMXDF-LJQANCHMSA-N 425.507 0.629 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1OC 791298104 AAMANSHAUINYAW-UHFFFAOYSA-N 447.473 0.710 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 797368285 ADQCJWDWDJCFCQ-UHFFFAOYSA-N 437.416 0.280 50 20 ICGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368985 KZPJVJZQJLZMNW-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 798346951 VQOCEHHZEQTYIW-HNNXBMFYSA-N 447.517 0.007 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 802116800 RDFLDGDWWJVOKE-UHFFFAOYSA-N 432.824 0.761 50 20 ICGD CCc1[nH]ccc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 802762867 OMAYLKJTSNIYEL-UHFFFAOYSA-N 433.534 0.653 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 806974429 AHZPAAFTLDKUHK-CYBMUJFWSA-N 446.435 0.755 50 20 ICGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)CC1 808069722 HQMSQLAJHQNDJT-AWEZNQCLSA-N 443.522 0.993 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2c(C)nn(C)c2n1 818862632 SFUSCWFZNLKVAK-UHFFFAOYSA-N 436.881 0.961 50 20 ICGD O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)[C@H]1CCS(=O)(=O)C1 821135161 MDECGGWOIXKNGE-LURJTMIESA-N 432.705 0.242 50 20 ICGD COc1cccc(COCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 915616649 OSXBDDJAOZLDPN-UHFFFAOYSA-N 435.502 0.988 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCN(CC3CC3)CC2)cc1 918084063 VJFQHQYNYCBZET-UHFFFAOYSA-N 437.566 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1CS(=O)(=O)c1ccccc1 1318338954 LCDJATPPYFDABK-HNNXBMFYSA-N 436.511 0.856 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577295 IKEUPMIIKQJOIV-XOBRGWDASA-N 437.880 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Cl)nc3)CCO2)C1 1779028166 LBKVENJQKPDZBX-HXUWFJFHSA-N 444.879 0.491 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780776660 JIRPABRSQGWXAT-HSTIPLNKSA-N 434.306 0.812 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)no1 1781331394 JSIPYDLNEAMHLD-BBRMVZONSA-N 447.261 0.233 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783348102 VDORBFNKWWLFLY-ZBEGNZNMSA-N 429.271 0.505 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784091891 BSVUSSQZAMPGSJ-WQCNXYOZSA-N 447.923 0.769 50 20 ICGD C[C@@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784285114 ZVRAJKDWOASCIY-GAJHUEQPSA-N 437.305 0.084 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506538 DZLJKYPBKLTOAB-AKGDVTCISA-N 445.520 0.691 50 20 ICGD O=C1CC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)CN1 1788140353 NXKZMRAEBDQJDA-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(Cl)Cl)C[C@@H]43)CC2)CC1 1789807493 HZHOOKHUAQICMX-KKUMJFAQSA-N 433.380 0.550 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1789867647 BKHPIJNCNMUHEB-UWCDFFNFSA-N 433.340 0.536 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1F 1792679106 KPMDUBZYUJTGIB-YVWYUNDQSA-N 436.484 0.411 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1792872236 SYSFRXGCQGWGSG-GUDRVLHUSA-N 444.248 0.286 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1snnc1C1CC1 1796190909 AUEHIUUTBMMSQR-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ncccn1)c1cccc(B(O)O)c1 1796276468 CVFULYHMAOHVEE-BJWYYQGGSA-N 426.307 0.201 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2 1798442079 VMQRCBJNYZRLOP-WJZNIJOASA-N 428.262 0.627 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)[C@@H](F)Br 1799347516 PBKGDBKAKMGCMS-BQJWPVKWSA-N 440.313 0.981 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2 1801011093 AWUDZDWRFSKSPJ-USGNIVHTSA-N 440.504 0.206 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CN2CCSCC2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803138148 XTFRWXBYFQVENL-BQFCYCMXSA-N 426.970 0.736 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Br)[C@H]2c2cccnc2)O1 1803648113 MJAAPFNJXYMABT-CYDGBPFRSA-N 429.246 0.886 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805246986 VTUAQHSREGEVGR-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374737 MBIVTGIKLAZOIH-SIKLNZKXSA-N 438.337 0.421 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)c1ccc(B(O)O)cc1 1817471279 KMZNPMLGIFJPGH-KRWDZBQOSA-N 436.233 0.662 50 20 ICGD O=C(Cc1ccc2ncnn2c1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1822492328 YMDSBSACEHYRGT-WCQYABFASA-N 434.909 0.940 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CC1 1825276172 QOCQALYWJKETTP-ZDUSSCGKSA-N 443.290 0.002 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 1825583156 JUTSGXLLFQBUDV-YGRLFVJLSA-N 430.490 0.546 50 20 ICGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)N1C[C@H]2C[C@H]2C1 1826087637 HADAYIKINDWIQX-KBXIAJHMSA-N 448.593 0.768 50 20 ICGD O=C(c1cc(=O)cco1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054797 KPWPAAILAJZAMP-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829758186 CEMFUZOAKQYOHQ-MEBBXXQBSA-N 448.343 0.433 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1830180390 VCWSHKQMMHSJCS-IRLDBZIGSA-N 441.381 0.942 50 20 ICGD O=C(c1snnc1C1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728624 WMGMYSJOFQOEPY-SJKOYZFVSA-N 430.914 0.085 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831518280 SYBRWHWACLJKMD-WFGGJUAMSA-N 425.295 0.540 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831656552 NNKFTSUQURPPFX-RDJZCZTQSA-N 448.402 0.676 50 20 ICGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1831938584 VRODEJFPVZLXDR-AZUAARDMSA-N 441.337 0.126 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1CCCCO1 1833110885 FZKOKYWTKMVFBE-OAQYLSRUSA-N 443.353 0.121 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1834819319 NGVRZJBGTKGYAP-INIZCTEOSA-N 447.717 0.985 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)O1 1835465338 ZSRWCLLAPCJTHP-IIBYNOLFSA-N 443.353 0.119 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170633 JLUXABOQEQNHFQ-UHFFFAOYSA-N 443.552 0.445 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CCC(N)=O)CC2)CC1 1836532108 NEUXEPZKRAZCBL-OAHLLOKOSA-N 431.375 0.997 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046575 NHGWRKCJFHDPOX-HNNXBMFYSA-N 428.917 0.554 50 20 ICGD C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(F)(F)F 1837710349 XDONPLXGZQIEON-HZPDHXFCSA-N 442.507 0.608 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838723658 ISCRESYRDZAGIC-UGSOOPFHSA-N 448.303 0.413 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839155205 OCYKMUYUUYDLIT-BVGQSLNGSA-N 436.336 0.205 50 20 ICGD COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)CC1 1839202607 LBENPUDUTJLHOH-NHYWBVRUSA-N 437.262 0.087 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840032166 PKSOLJLVXQBUAD-LRDDRELGSA-N 449.733 0.776 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033953 VOYQWGAEAAUVGR-LBTNJELSSA-N 448.358 0.531 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840156748 YSYSKWMNPTWJKT-QFBILLFUSA-N 428.917 0.374 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)CCBr)C2 1841299508 YXHHNEZCMMEROF-LBPRGKRZSA-N 434.331 0.860 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2ccc3ncccc3c2)C1 1841759141 SQCGSIYLXHUSMY-UHFFFAOYSA-N 429.285 0.974 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)N2CCCC2)C1 1841874644 AFUREJRMPBFKDE-LFVJCYFKSA-N 442.520 0.726 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc3cccnc3nc2O)C1 1845608365 GYLYZODFPBUZKR-UHFFFAOYSA-N 426.477 0.525 50 20 ICGD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)[C@H](Br)Cc2ccccc2)C1 1845941327 SUSSZNRYETWMSW-OAHLLOKOSA-N 433.310 0.883 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1846363974 PCSMRFRHTGJBBD-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563245 HTPGDRBRSZEYRO-ZOBORPQBSA-N 447.916 0.244 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N(C)C 10790788 DDZZGHXHVBJLNR-UHFFFAOYSA-N 449.485 0.872 50 20 ICGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)c1n[nH]c(=O)c2ccccc12 21038801 RPTLWFOHMMXBRV-UHFFFAOYSA-N 427.804 0.763 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 45621146 RTDCZGKHWCTESE-UHFFFAOYSA-N 438.531 0.854 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)nc2ccccc21 726281646 BILVNBRDNQKLBQ-QFIPXVFZSA-N 449.471 0.701 50 20 ICGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 726440891 FQFLERIPHMDXQB-UHFFFAOYSA-N 446.514 0.534 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726767071 FGGQUBGNNKFXNG-UHFFFAOYSA-N 447.521 0.157 50 20 ICGD CC[C@H](C)N(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 727230455 WUTRPIGOEAEAKW-HNNXBMFYSA-N 427.575 0.374 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 728852524 DIPLZXQUORGNIK-UHFFFAOYSA-N 438.893 0.760 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 729626202 LKQXRHATPFQBJD-CVEARBPZSA-N 448.520 0.806 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CCOCC3)n2N)cc1OC 742457076 VLOPVGSWWOWFKC-UHFFFAOYSA-N 436.494 0.456 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1ccccc1S(C)(=O)=O 743368627 QTOXCQIXCUEIIH-LLVKDONJSA-N 429.524 0.251 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCn2c(=O)nc(O)c3ccccc32)cc1 744530041 FHKQMFZUAIURTN-UHFFFAOYSA-N 435.396 0.368 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 744814804 CZNQTGWDFYHIKP-LBPRGKRZSA-N 433.417 0.864 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 745918999 PYQUNNQGLCYNDA-DZGCQCFKSA-N 430.465 0.722 50 20 ICGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746200609 NSOIGMJHYLUQDS-SKPIDZIXSA-N 448.501 0.121 50 20 ICGD Cc1c(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 747858793 ZZLMPNDCTCTDOK-UHFFFAOYSA-N 433.371 0.617 50 20 ICGD COc1cc(NC(=O)CN(C)CC(=O)NNC(=O)c2ccc(C#N)cc2)cc(OC)c1 752330847 IMLSOQXKWDVWMS-UHFFFAOYSA-N 425.445 0.907 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 754820654 LOBZFXWSOAALPQ-AWEZNQCLSA-N 435.437 0.872 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1OC 755034311 QGNRLKKYZSDZPU-OAHLLOKOSA-N 445.428 0.885 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(N)=O)nn3)c2)C1 757403237 YSWQVYDIZCPYBW-CHWSQXEVSA-N 432.506 0.999 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2nc3n(c(=O)c12)CCCCC3 758037056 XTIYRPDTRQYKHM-SNVBAGLBSA-N 441.535 0.192 50 20 ICGD O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1)C(=O)Nc1ccccn1 758841682 QPXULESUMHUVAZ-QGZVFWFLSA-N 432.440 0.604 50 20 ICGD COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 762454861 NWCPXRCCUMUSJC-SNVBAGLBSA-N 445.475 0.446 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1F 763675467 WVKGJDCCUMLIAF-UHFFFAOYSA-N 427.392 0.564 50 20 ICGD CCc1cc(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(C)n1 763796487 NQGJXCQHTXYHQN-UHFFFAOYSA-N 448.505 0.167 50 20 ICGD CN(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763805635 UCSFFGJLBJSOTL-UHFFFAOYSA-N 429.389 0.462 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1Br 763917593 YUHSLPPLILRVBY-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764138586 FIUUGGLEAABPBZ-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764399308 KFUOENQPCYABFP-LLVKDONJSA-N 438.462 0.019 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccccc1-n1cc(Br)cn1 764431411 CRPLAYRYGNMJBW-CYBMUJFWSA-N 438.238 0.136 50 20 ICGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636566 QDQBAHJLTAOXNF-SFHVURJKSA-N 429.521 0.240 50 20 ICGD CS(=O)(=O)NCC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 766688064 STFCFKAJZMHXHH-UHFFFAOYSA-N 444.922 0.671 50 20 ICGD CC(C)(C)[C@H](Br)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 766752689 REDUMPWWGLZBOV-TZMCWYRMSA-N 439.372 0.671 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3(NC(N)=O)CC3)c2)cc1 767187876 ZJDIPYCXVSUVSX-UHFFFAOYSA-N 447.473 0.458 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CN(C(=O)OC)C2)c1 770427051 WBXAQACCKZJGQP-UHFFFAOYSA-N 427.483 0.112 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 772047028 YUPVZUQZOWJXDJ-IRSGEFJISA-N 430.461 0.279 50 20 ICGD O=C(C1CCN(c2cnccn2)CC1)N1CCN(S(=O)(=O)CBr)CC1 777779443 KYHSOUQJLZXOOI-UHFFFAOYSA-N 432.344 0.519 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c(OC)c1 782120186 AHFZNOYZTCHYAP-UHFFFAOYSA-N 425.401 0.838 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782831264 BVMYUQQEOYGVMI-LBPRGKRZSA-N 434.474 0.869 50 20 ICGD Cn1ccnc1CN1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1=O 783319552 STBKSRWEXBCJTO-OAHLLOKOSA-N 425.449 0.192 50 20 ICGD O=C(NNc1ccc(Br)cn1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 784341648 QAZNMNCYKJXBCV-UHFFFAOYSA-N 447.249 0.978 50 20 ICGD CN(C)N(C(=O)CS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 792851956 ZJJLHORCEZJXSW-LBPRGKRZSA-N 439.353 0.715 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(Br)n1 793041219 VUYMNIVMKBIYLF-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNc2ccc3c(=O)[nH]ccc3c2)ccc1C 793070408 RUCAYVBNWASLBF-UHFFFAOYSA-N 429.458 0.826 50 20 ICGD CN(C)C(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368986 LBGLRCYYDKPFGP-UHFFFAOYSA-N 441.444 0.401 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)c1ccc(O)cc1 799260338 NRBWLTKAWRBQSF-QGZVFWFLSA-N 426.429 0.710 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3cncc(F)c3)cc2)CC1 799262291 QYLXUPYTIMFOTO-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802029022 KBMDBGOVRBGJRW-FQEVSTJZSA-N 426.433 0.440 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 802104335 AATKVJJJMDQTMP-UHFFFAOYSA-N 448.457 0.744 50 20 ICGD O=C(NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 803431913 BLJUCTJJBAPBHV-QAPCUYQASA-N 446.460 0.934 50 20 ICGD CO[C@](C)(C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CC1 812534941 TULFAHDOKKGSEA-FQEVSTJZSA-N 438.550 0.264 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 815567918 PVSYDTYBAMKJIM-SSDOTTSWSA-N 443.787 0.759 50 20 ICGD CC(C)(C)OC(=O)NCCc1nc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cs1 816882737 LLBCLNDYAZANRU-LLVKDONJSA-N 435.510 0.825 50 20 ICGD COCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 914845845 UDUNZVPVCGFIAM-UHFFFAOYSA-N 441.531 0.749 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCCO1 915636097 LGUVNEPILWLHQE-MRXNPFEDSA-N 425.507 0.357 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccccc2Cn2cncn2)c1 916393966 QXSSEDHCYUNCPN-UHFFFAOYSA-N 428.474 0.874 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN4CCCC[C@H]34)nc2)CC1 916639716 XPAFZEDELSDIOL-DLBZAZTESA-N 437.570 0.271 50 20 ICGD Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2n1 916723258 KBOHASXUWRCIOX-UHFFFAOYSA-N 430.490 0.980 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cn1 917720950 WAVOTAZXIZFPNU-UHFFFAOYSA-N 441.516 0.906 50 20 ICGD CCNC(=O)COc1cccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 918091561 YBHZNGKJJUZVLG-UHFFFAOYSA-N 425.445 0.983 50 20 ICGD O=C(NNC(=O)c1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918546786 GRUVNGJAHNZEKV-CYBMUJFWSA-N 430.442 0.480 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)cc1 1319252837 PPHIWWXXDWVVRX-DLBZAZTESA-N 439.538 0.804 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1n[nH]cc1I 1342762197 ICZGVRCEUGIWEA-UHFFFAOYSA-N 441.233 0.482 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527913 AEGPOKIINSBQLO-SJORKVTESA-N 431.276 0.855 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780596407 LVWKRQWHFOQFEF-SUKQMUEJSA-N 432.359 0.254 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 1780629691 SJXDCSDJXJRYDK-OAQYLSRUSA-N 428.681 0.777 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1782146728 GRLHXIXAXXFCJX-QAPCUYQASA-N 448.900 0.272 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@@]1(F)Cl 1782291744 SDRNDYZGPMTHJI-SMOSDQRPSA-N 438.692 0.418 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782311687 FUHPVXDIQFLWCX-BXTJHSDWSA-N 425.913 0.833 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782605970 FIVAXXBTESCVHI-BCUIYNNISA-N 429.319 0.531 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783541930 FRJRSORREZRMJK-LJQHDNKASA-N 433.892 0.326 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975167 DSJYBUANPUTEQF-QMTHXVAHSA-N 444.248 0.526 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1785225328 QMCAKEPQXSLHBT-RDTXWAMCSA-N 448.900 0.272 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1793604462 MBUKZMBOQSXHCE-KHMAMNHCSA-N 449.907 0.746 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccoc3s1)C2)c1cccc(B(O)O)c1 1795738793 GCLLDXSUVDMXQH-JLVBRIDZSA-N 440.286 0.691 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773305 LQLXONZLZZKDBU-ZJOBFFGXSA-N 426.311 0.469 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C 1796669499 PSSSUMAGOZKVBC-LLJCUJCISA-N 438.488 0.727 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797893785 KXGYERLCGCYCMP-ARILJUKYSA-N 428.331 0.535 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1800978180 NZSRYMGOEUPTCR-AHXJXLJNSA-N 436.896 0.512 50 20 ICGD COCCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802973486 MRNZKUVAUSKOFC-UZLBHIALSA-N 440.504 0.826 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363124 YGKXATJLLFOOHM-TZIWHRDSSA-N 446.272 0.028 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369532 MXUHIBDPQSQZNV-RXVVDRJESA-N 430.273 0.790 50 20 ICGD CC1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809967968 PZHABCSKAPEGRT-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1C[C@H]2C[C@@H]2C1 1809972523 PWAJFALOPOQVSG-MISYRCLQSA-N 439.365 0.551 50 20 ICGD O=C(CSc1nc[nH]n1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972909 VGIJBXMQHGAPGS-UHFFFAOYSA-N 443.338 0.122 50 20 ICGD CN(CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812387565 OVBQQCMXWKREBB-GOEBONIOSA-N 438.912 0.895 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cncn1 1813073151 HWIVJJIONINVCV-MDYRTPRTSA-N 442.524 0.313 50 20 ICGD Cc1noc(N)c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814900523 GKBHJPJHAYCIKX-LBPRGKRZSA-N 441.278 0.241 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)ncn2)n[nH]1 1815359584 OVMXJUQHCRYFMK-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCC3)[nH]n1)c1cccc(B(O)O)c1 1817476313 PSSYNUXZOPBKAB-LJQANCHMSA-N 448.292 0.852 50 20 ICGD CCO/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800922 DLSAODITKUIAFQ-LXSSAFMLSA-N 430.490 0.918 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822184406 KSQQDRQTDZCCOU-LSJOCFKGSA-N 441.286 0.783 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822411990 GYLJHISJKFQTIH-SNGWPZLWSA-N 445.524 0.633 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824179847 ZKCIIIQVMXHHOJ-CVEARBPZSA-N 425.913 0.521 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)CC1 1825378381 ICVNBVYUNPAWNO-NRFANRHFSA-N 437.305 0.547 50 20 ICGD CC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825928365 KYRXCUKLTBBLFN-XHDPSFHLSA-N 429.307 0.664 50 20 ICGD CC[C@@H](NC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827037959 JDGHTXWJOVTHMF-MOPGFXCFSA-N 430.553 0.916 50 20 ICGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)CBr)CCO3)C2)COC1 1830543747 BOVSZSMUEHEKFF-RDTXWAMCSA-N 433.343 0.900 50 20 ICGD CCC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccc1 1830728430 TVBGLJPPZSGZRJ-FUHIMQAGSA-N 427.929 0.885 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730716 CGQREQYWZAMDLQ-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD COc1cc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(C)c1 1830733868 WMQSFRYHVSFYLH-UTKZUKDTSA-N 440.924 0.982 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830927204 OIGAMGDLIVUXEX-YRNRMSPPSA-N 426.897 0.441 50 20 ICGD CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833146566 LEMQUGIRZUDZEP-UHFFFAOYSA-N 426.326 0.101 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833174172 SLLTVNZGTJWYHT-RDTXWAMCSA-N 432.304 0.334 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)c1 1833313200 ZIAMVZKKWQVBRT-QAPCUYQASA-N 425.961 0.924 50 20 ICGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n[nH]1 1833821700 IZGNXGRQOBESKH-KRWDZBQOSA-N 443.298 0.467 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833952877 DDUDABCCIPVPNK-NRFANRHFSA-N 444.318 0.120 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837708443 HFSIHAIYKOTTEQ-PXDRNWIDSA-N 439.585 0.153 50 20 ICGD O=C(CN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1838790864 DIZAONRGHBFUAJ-UHFFFAOYSA-N 432.304 0.714 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839146372 YCIQJIFSCRXCAD-XHDPSFHLSA-N 430.807 0.566 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202621 LPLDMDPCCPRTDY-PBHICJAKSA-N 445.289 0.590 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840031644 XXIFDUBBCYACHR-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)F)no3)C2)C1 1840151388 AHCKMQVVYUEHHZ-DIFFPNOSSA-N 437.827 0.936 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840152435 HYWKLOQYDYIYLO-FOIQADDNSA-N 440.880 0.739 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840152453 IYCNIUJXCDGGHP-ORAYPTAESA-N 437.884 0.282 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840153148 FXJIOIHBQGMMFS-FRBZJCMESA-N 427.885 0.409 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840155256 VHIPMMXFMZSYLE-MISXGVKJSA-N 431.686 0.387 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1 1840407370 JQKPFZACRMKZRM-RKVPGOIHSA-N 443.342 0.992 50 20 ICGD O=C(C1=NO[C@H](c2ccccc2)C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011353 URMDMBJUMYTGLL-FQEVSTJZSA-N 433.273 0.701 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847559077 JDKCTLOFBXPAMT-UVPYHEFZSA-N 445.944 0.406 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 726283428 ZUUCXAROJHMGTM-NRFANRHFSA-N 425.445 0.959 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2cccc(C(N)=O)c2)c1 726718368 NGIMCRQARKCGMF-UHFFFAOYSA-N 433.490 0.223 50 20 ICGD O=C(COC(=O)c1csc(-c2cnccn2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 728383265 LDKQLLBFKCCRFB-HNNXBMFYSA-N 441.425 0.744 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 729962587 BEHQSSVIVYNTLE-AWEZNQCLSA-N 447.469 0.772 50 20 ICGD CCOCCCN1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1 734684984 CLZRWHSVYLSTEQ-CABCVRRESA-N 425.555 0.945 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc(Cl)nc1 743819130 BSMSVCXWLWDRDL-CQSZACIVSA-N 446.938 0.960 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 744638368 YDZSRPWBNVYFHX-UHFFFAOYSA-N 435.396 0.228 50 20 ICGD Cc1cc(N2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)ccc1Br 748241281 SVXUNEDAWXYDBH-GFCCVEGCSA-N 437.294 0.880 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C1 748246252 HUVASJLATCBDOY-HUUCEWRRSA-N 436.534 0.737 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1 748246740 GXKZPNYIXRQRQD-UHFFFAOYSA-N 444.513 0.857 50 20 ICGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)CNC(=O)c3ccco3)c(C)c12 751203059 ZLBUSVMZCNLCTA-UHFFFAOYSA-N 428.449 0.697 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)n[nH]1 756771482 XFHFDZXUJCHOHL-UHFFFAOYSA-N 427.425 0.232 50 20 ICGD CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 757872236 WPPFYFUBQBCSBL-QWRGUYRKSA-N 440.469 0.396 50 20 ICGD Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc3)nc12 758036900 WMXVWHSZOKLSNI-AWEZNQCLSA-N 445.501 0.920 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)CN3CCN(S(C)(=O)=O)CC3)n[nH]2)c1 763173622 BQFBOMIRVPIHPB-UHFFFAOYSA-N 434.522 0.032 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 763662474 IHFUGQIWOHUTSG-UHFFFAOYSA-N 441.444 0.780 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 763663382 HUTOLBVDPIJGCF-UHFFFAOYSA-N 443.395 0.283 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 763858544 UOZAMNLLBUDLNT-ZDUSSCGKSA-N 443.435 0.904 50 20 ICGD O=C(NNC(=O)c1ccc2ccccc2c1)C(=O)Nc1cnn(CCN2CCOCC2)c1 764061680 KRSLNCPXXNKUKH-UHFFFAOYSA-N 436.472 0.768 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c1 764182816 SVFXMEUKVQTIKB-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764277741 GZJATHARRFWZRY-UHFFFAOYSA-N 435.440 0.767 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764285917 DMTFLGOINVABHT-UHFFFAOYSA-N 436.446 0.012 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764397731 MHABUNKFNGQTKC-GFCCVEGCSA-N 428.873 0.314 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 764424309 HZDWLQPXICCHGF-NOVUIFNWSA-N 437.518 0.769 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2c(C)n[nH]c2n1 766636724 SLIGDLFUFFGFBY-UHFFFAOYSA-N 435.488 0.794 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2)NC(=O)NC1=O 768953466 SRNWJIDGXHGTFZ-IBGZPJMESA-N 430.442 0.220 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772196867 SMHRSFUENQJJII-GFCCVEGCSA-N 430.848 0.918 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1C#N)S(=O)(=O)c1cccs1 772625080 MPCCJYNKPJEPIN-UHFFFAOYSA-N 437.503 0.650 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)N1CCCS1(=O)=O 772631391 QWWIKMOZKCCPEP-KRWDZBQOSA-N 449.533 0.799 50 20 ICGD O=C(COc1ccccc1)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 777777565 MRGNFZJDGDTVPB-UHFFFAOYSA-N 434.312 0.008 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1-n1cnnn1 781668007 GXIPDDMVTKZCCF-UHFFFAOYSA-N 444.477 0.347 50 20 ICGD CCS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 781682105 OGANFHSPKOLFRE-UHFFFAOYSA-N 432.296 0.626 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 784209396 ZFBDXOZQGOWNBJ-UHFFFAOYSA-N 445.501 0.498 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789810479 OHJLKQRNTPTNCF-ZFWWWQNUSA-N 428.449 0.210 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 789823979 YEQLIGLQTRQYMK-OALUTQOASA-N 434.456 0.985 50 20 ICGD COCc1ccc(OC)c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 795314606 PYXZJCWCXRSWDX-UHFFFAOYSA-N 435.506 0.858 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1(S(C)(=O)=O)CCOCC1 796395925 SFOAYQVKOXIDFV-UHFFFAOYSA-N 448.881 0.247 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc(-c3ccccc3)cs2)n(C)c1=O 801171875 LAHYJQIMSOLQDC-UHFFFAOYSA-N 439.457 0.018 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ncc(F)cn3)ccc2F)CC1 801179539 WMSLMGULQWAJKX-UHFFFAOYSA-N 440.432 0.365 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c2)CCN1 803428512 IZFYBJDGEJXWCI-UHFFFAOYSA-N 441.469 0.406 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cnn(C)n2)cc1 805204516 XDGISYYLSHMUHD-OQLLNIDSSA-N 434.460 0.786 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 809830805 FDWVNNCOCVHEAK-UHFFFAOYSA-N 433.268 0.195 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 812730192 CADIBJSXWDGDII-UHFFFAOYSA-N 431.518 0.729 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 815569522 XJKKVPNBORMAFV-UHFFFAOYSA-N 433.490 0.845 50 20 ICGD O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cn1cnnn1 879819340 NKQLTLIXTVIOGP-UHFFFAOYSA-N 448.531 0.618 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)c2ccccc2c1=O 915058555 PTQBSCDASSZIGH-UHFFFAOYSA-N 426.433 0.461 50 20 ICGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915905158 AJAKNBONUNKBRB-UHFFFAOYSA-N 439.538 0.577 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCN(CCN(C)C)CC2)nc1 916382648 MRHSQNCYFWLQNU-UHFFFAOYSA-N 441.602 0.764 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)NC2CC2)cc1 920822949 ZVVMAAYOYDUWOY-OAHLLOKOSA-N 430.552 0.978 50 20 ICGD CN1C(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)N(C)C1=O 920976608 ZDVZXWJENLAEOX-UHFFFAOYSA-N 449.489 0.030 50 20 ICGD O=C(COC(=O)c1ccccc1N1CCCC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 1321718922 YXIOOPIWYYXDCE-SFHVURJKSA-N 439.424 0.958 50 20 ICGD O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1780200431 AKXYEICPBNLUIH-ACJLOTCBSA-N 439.831 0.656 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111654 OIEHFHHHIPWQTH-YJBOKZPZSA-N 443.386 0.380 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccc(O)cc1 1781261232 DXZCZVXJTLBGND-OPAMFIHVSA-N 432.521 0.699 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](F)Br)C4)C3)CC2)CC1 1781334013 LISMGVHLRDJVDV-WMLDXEAASA-N 447.349 0.287 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1781441039 QLPMMSNKEDQBBI-KXBFYZLASA-N 425.869 0.908 50 20 ICGD C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783063066 ZKLABMLRHAYSKL-RJOTYRNVSA-N 429.521 0.739 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783974093 GZNYCRIKOZJJFK-QPSCCSFWSA-N 447.374 0.370 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)C1=O 1784091843 DUKGFFZTOXQDPQ-HPEDKQMDSA-N 435.864 0.014 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1785597562 GNSXYPKIFDLRGE-XIRDDKMYSA-N 444.318 0.344 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643713 SXGMQBGZEWMSGZ-ZHPDPMBESA-N 441.282 0.552 50 20 ICGD CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N(CC)CC 1786980062 FJXKYVWWSSPVGJ-VMXMFDLUSA-N 445.369 0.080 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786980994 JGDWTXRYMZSORO-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637083 COHOSTYPQWZDRY-FJIDUMEYSA-N 426.941 0.919 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(-c2ccncc2)[nH]n1 1788924992 IMLWZXUKEYTOIK-USJZOSNVSA-N 433.896 0.665 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1791254579 WYXRXHZKOMUERC-MMWGEVLESA-N 439.822 0.671 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791558839 IFBUCLHOPVBFQY-RHYQMDGZSA-N 432.344 0.660 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(N2CCOCC2)cc1 1796489194 GQEPEGKUYNTMOC-UKBAYJJMSA-N 437.924 0.326 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797938196 YEEITYWDLPTGED-QKDZRIPBSA-N 426.311 0.782 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1799264810 VZTKLFWCPUPFOH-XRGAULLZSA-N 429.926 0.706 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800640092 UVAPIUYYVPBATN-KYHPRHEASA-N 445.402 0.387 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CCC4(CCCN(C(=O)[C@H](O)CCl)C4)CC3)cc21 1805524212 LTYRFSQGWCIHOI-MRXNPFEDSA-N 437.928 0.461 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360307 KCUHHDVEFJHXKW-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cnsn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363492 PIKDBZFURCQHPJ-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)no1 1807369601 PNHHALSCLSKQID-UWJYYQICSA-N 449.276 0.015 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973963 MRZHZAFGVRAJQA-SFHVURJKSA-N 434.367 0.325 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1810301624 ARDUXMZQJGINIO-MAZHCROVSA-N 434.859 0.934 50 20 ICGD O=C(Cc1cc[nH]n1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812414649 GMNWGDMUSMANGF-DYESRHJHSA-N 433.277 0.047 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CC2(O)CCC2)[C@H]1c1cccnc1 1813637997 DOKWSJPJJQQRFX-LAUBAEHRSA-N 431.537 0.766 50 20 ICGD Cn1cc(F)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340939 QZGSTATVIYZNMO-CQSZACIVSA-N 442.281 0.840 50 20 ICGD CN1CCC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1820723597 ONCOCXHZBXHNFS-LPHOPBHVSA-N 439.325 0.737 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(=O)c2cccn2C)[nH]n1 1822416773 NZWHTKHFWDGYLF-OAHLLOKOSA-N 443.508 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(=O)n1C)CC2 1826080454 LPMBVCMECQMMDB-GFCCVEGCSA-N 446.533 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cc3cnn(C)c3)sc2C1 1826948762 HBMAOEJKMGWGAN-ZDUSSCGKSA-N 433.538 0.404 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1830537399 GTAHRKOFONOTDQ-FZKQIMNGSA-N 443.294 0.741 50 20 ICGD O=C(Cc1cccc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725175 LUVXNTNTPIKPHY-KSSFIOAISA-N 432.304 0.334 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCn2cncn2)CC1 1832119786 LLKCJALIFHRANC-GOSISDBHSA-N 433.557 0.661 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)no1 1832931587 UCTCNBLJUSDCIM-IAGOWNOFSA-N 435.308 0.613 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1=CCCS1 1833507861 AYGZWYCMMDEIMD-UHFFFAOYSA-N 443.378 0.572 50 20 ICGD CN1CCC(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834820271 UWXJQYDEUKGWIY-LJQANCHMSA-N 446.386 0.960 50 20 ICGD O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834822218 DPIHGLPFJQFYOP-SFHVURJKSA-N 441.326 0.651 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1834918452 BSIIQJFCSJUGNH-MBOZVWFJSA-N 426.897 0.430 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718135 YDCNRWFYTHRUIT-XLIONFOSSA-N 443.617 0.599 50 20 ICGD C[C@]1(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCCN1 1837921343 BIVACQCRCFZCFH-HSZRJFAPSA-N 443.353 0.121 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838108904 UNYMLSMLWZPIIA-ZBEGNZNMSA-N 432.271 0.624 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1838533588 ZGWLVJNDJAJBEJ-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838845353 OWISYZBQJXZKPA-IBGZPJMESA-N 442.900 0.376 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839061324 OYYOKMASJLMNRB-RDTXWAMCSA-N 426.311 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840151582 GWURPBWFWSKCIY-PXNSSMCTSA-N 426.897 0.776 50 20 ICGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188658 WCICEVNLIMHULF-JUHMNFSHSA-N 438.308 0.776 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(C)n1 1840336647 ITHAFHCHZATWHM-GHTZIAJQSA-N 439.940 0.687 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840880961 VXKXJRCWSKHZQY-CSGFNCJESA-N 444.843 0.807 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012047 YLRNRVZZBZJELA-UHFFFAOYSA-N 444.337 0.941 50 20 ICGD O=C([C@H](O)c1ccccc1Cl)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012571 BUNHBCRWSNYNMW-GOSISDBHSA-N 428.681 0.570 50 20 ICGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(C(F)(F)F)o1 1843013705 CFVOATCKVPBXFR-UHFFFAOYSA-N 437.183 0.812 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1843820945 DCTXUGLLBJXUTI-SOUVJXGZSA-N 445.944 0.407 50 20 ICGD COc1ccc(C(=O)N2CCCC23CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1 1844603339 ZGPARBCFGYQZHC-LPYMAVHISA-N 425.449 0.436 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 12268114 UBDPOKQTXQDIJX-UHFFFAOYSA-N 447.469 0.480 50 20 ICGD Cc1sc2ncn(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)c(=O)c2c1C 12802044 FZHPBRGZVPFLBY-UHFFFAOYSA-N 448.530 0.829 50 20 ICGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 16785656 AJPZPVQGYIZGMQ-OAHLLOKOSA-N 443.547 0.365 50 20 ICGD CC(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725740197 ROGQOYUCQMPLFJ-UHFFFAOYSA-N 436.490 0.649 50 20 ICGD CN(C(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1)C1CCCCC1 728596801 MUIUHTPAAYSYEE-UHFFFAOYSA-N 448.524 0.159 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nc1 729620580 ZADMPOZIXQQUSN-LSDHHAIUSA-N 426.543 0.601 50 20 ICGD CN1/C(=C\C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 730569108 NQZKNGVXIJOQOD-RULBVIGXSA-N 428.518 0.985 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H](C)O1 732262429 SNDZJPYSYJODDX-GJZGRUSLSA-N 426.539 0.039 50 20 ICGD CCOCCCn1c(NNC(=O)c2cc(S(N)(=O)=O)cn2C)nc2ccccc2c1=O 733365960 VQGGTAUMNOVREI-UHFFFAOYSA-N 448.505 0.566 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H](c2ccccc2)N(C)C)CC1 735116888 JUAZBPOBYRTJIC-SFHVURJKSA-N 432.550 0.764 50 20 ICGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118346 SURRQSIPOLBPIX-GJZGRUSLSA-N 427.527 0.045 50 20 ICGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O 740748821 ABYWTWZXHNPIOF-SFHVURJKSA-N 434.456 0.680 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 744388479 QVOPZBVVOUITCU-UHFFFAOYSA-N 442.457 0.747 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)c2C)nn1 744539986 WQNFISJDVYEVRD-UHFFFAOYSA-N 449.427 0.859 50 20 ICGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621724 FMXMTJZJIUUVFP-CYBMUJFWSA-N 449.576 0.071 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)[C@@H]1COCCO1 744642620 RJXSGJZHWFYOSY-KGLIPLIRSA-N 426.451 0.009 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)c1 744909522 BGLKSFRIDQLTPD-MSOLQXFVSA-N 443.431 0.714 50 20 ICGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 747600058 DTHZIOISJBUYEP-QMMMGPOBSA-N 427.298 0.202 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C1 747844358 JRWCBUWNEHKKCE-BRWVUGGUSA-N 440.589 0.157 50 20 ICGD CC[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC)cc1 752128148 XCKNIXMRCXAFBW-ZDUSSCGKSA-N 442.476 0.174 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)Nc1cnn(CCN2CCOCC2)c1 756826199 BYHJTXSTOAEMSF-UHFFFAOYSA-N 440.464 0.573 50 20 ICGD COc1ccc(Br)c2[nH]c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc12 758039239 ITNDYSOYFRLJKA-ZETCQYMHSA-N 433.284 0.638 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1C 763511913 JMTHOGIIHAHLDU-UHFFFAOYSA-N 448.505 0.303 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OCCN(C)C)c1 763570979 JXWUGPGMBCJYNA-IBGZPJMESA-N 442.472 0.861 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1-n1cnnn1 763737169 YQADKUAQCWEZEB-UHFFFAOYSA-N 434.460 0.509 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763837579 JBLHYRYRYDXWJW-LBPRGKRZSA-N 432.408 0.964 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763838292 SCXYAZXHJWQENN-UHFFFAOYSA-N 434.399 0.966 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 763857665 OCTOXIQEKYSIHQ-GFCCVEGCSA-N 432.408 0.633 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(C#N)cc3)cc2)CC1 764177153 KTBQTEAHRSAROB-UHFFFAOYSA-N 448.483 0.622 50 20 ICGD CN(C)c1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 764726959 VFDNTUVBLXUQNS-UHFFFAOYSA-N 448.505 0.635 50 20 ICGD C=CCCO[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635652 BTOJPHKGTAZJPJ-KRWDZBQOSA-N 438.550 0.430 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 767243915 MYZAWHKFKQOHMA-UHFFFAOYSA-N 433.486 0.792 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 767319527 OIUQQXMYESZVHT-AWEZNQCLSA-N 430.461 0.481 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CS(=O)(=O)c3cccc(Br)c3)nc21 770978906 AXFJYTNAVFTRND-UHFFFAOYSA-N 441.267 0.748 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 771605919 UKNQBRYAQXDWRB-UHFFFAOYSA-N 426.838 0.148 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)cc(OC)c1OC 772632580 ZITBGUKQIHHAAU-HNNXBMFYSA-N 429.495 0.534 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCS1(=O)=O 773419063 LWRSFLVBRGGUQN-CABCVRRESA-N 446.570 0.841 50 20 ICGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)nn1 773495852 GCDBVDMQCLNOED-UHFFFAOYSA-N 431.359 0.972 50 20 ICGD CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 777777470 JIAMTSRDPJCRNJ-GFCCVEGCSA-N 426.333 0.681 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H](CO)C[C@@H](O)c1ccccc1 778651117 UFGQLWNVZMPFLG-QZTJIDSGSA-N 428.493 0.508 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1-n1cnnn1 781772874 LKZVZCVWFUJJKM-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD COc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1-n1cnnn1 782045025 FAFVXBSUWZWCMH-UHFFFAOYSA-N 445.299 0.111 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 783996151 FFNUSBIRFLKATH-UHFFFAOYSA-N 435.484 0.958 50 20 ICGD COc1cc2ncn(CCCC(=O)NNC(=O)N3CCN(C)CC3)c(=O)c2cc1OC 788166514 OLQGWSVAAOOCKZ-UHFFFAOYSA-N 432.481 0.182 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(CC(F)F)c2)c1 790045834 TZMAWOSRVSSHBI-UHFFFAOYSA-N 437.450 0.022 50 20 ICGD COc1cccc(C(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c1O 792633511 YAVDRZAPFGWYGQ-QGZVFWFLSA-N 429.351 0.794 50 20 ICGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 792852932 AKOHWNATAYSVIS-LLVKDONJSA-N 425.479 0.126 50 20 ICGD CCOC(Cn1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)nn1)OCC 802066704 WDIZQDLWPYBCGU-UHFFFAOYSA-N 440.482 0.547 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1Cl 802072114 KUTDLKBTMLIVDC-LLVKDONJSA-N 427.889 0.920 50 20 ICGD COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 802297015 ZGHXUUGHZBHHPE-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)ccc1F 806972202 LAZDYWBVYRGRIS-UHFFFAOYSA-N 445.432 0.682 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 806973076 YFZZROHJLKZIGQ-UHFFFAOYSA-N 428.401 0.191 50 20 ICGD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNC(=O)N1CCN(C)CC1 807381273 MEYCDUDDZCYJEU-HNNXBMFYSA-N 438.510 0.435 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-])C2 807514369 QPAGAPOYCXBZSB-GJZGRUSLSA-N 448.480 0.388 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 810307879 MANYXJDUQPJSFP-UHFFFAOYSA-N 448.379 0.154 50 20 ICGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n(-c2ccccc2)n1 815693498 ZJJYQIGEXTVIMQ-CQSZACIVSA-N 436.476 0.936 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052998 YMPOGQAAJPVBHD-UHFFFAOYSA-N 432.510 0.650 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 863999068 LLHRHTAYBQGGST-QFIPXVFZSA-N 438.440 0.615 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914880760 VTJOYIUMMKJVOF-UHFFFAOYSA-N 439.446 0.149 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1csc(N2CCOCC2)n1 916104773 XAEGZWQETLFHHA-UHFFFAOYSA-N 446.894 0.955 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C 916197305 PZIBTWMPKHZDFJ-ZDUSSCGKSA-N 433.490 0.981 50 20 ICGD CCS(=O)(=O)NCCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 916517217 YGWIYQDKDUFGJT-SNVBAGLBSA-N 437.316 0.486 50 20 ICGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1cc(Br)c[nH]1 916645278 MXUGKXBVQJSWFI-UHFFFAOYSA-N 444.311 0.841 50 20 ICGD COc1cc(C(=O)N2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)ccc1C 917141147 MRTQGDLGEZPQGL-UHFFFAOYSA-N 445.545 0.916 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OC 917313466 FNJCCWPTFFRRJD-QGZVFWFLSA-N 443.412 0.798 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 918075437 SULGJWRDUQKSEO-GFCCVEGCSA-N 438.428 0.927 50 20 ICGD O=C(NCc1nc(C2CC2)no1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918233011 BMRZRWWZCPZQOV-UHFFFAOYSA-N 434.478 0.876 50 20 ICGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)C1 918549523 KNKBKNZEGOLXEC-GFCCVEGCSA-N 429.495 0.535 50 20 ICGD CN1CCN(Cc2ccc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)CC1 919742910 IOENTONPBLOYGX-UHFFFAOYSA-N 434.500 0.756 50 20 ICGD O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888522 FDTDEPQKZSVMFT-BXKDBHETSA-N 432.911 0.660 50 20 ICGD Cn1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 920399736 XOXXADDEHGOEOY-XYOKQWHBSA-N 435.400 0.765 50 20 ICGD COCc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 920841343 OSBGQINUXJMJPR-UHFFFAOYSA-N 440.503 0.385 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 920920537 NEDNWGLGJFIQKN-KRWDZBQOSA-N 432.568 0.644 50 20 ICGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1255250393 NHGQRDHEEZIECJ-KGLIPLIRSA-N 443.526 0.053 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccc(Br)cc2)nn1)N[C@@H]1CCS(=O)(=O)C1 1317993519 KXSSSOUHEKZDGS-SNVBAGLBSA-N 443.283 0.161 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 1331679571 ISNSMRWYVCGHCX-AWEZNQCLSA-N 426.543 0.309 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1781222369 SMLQKMJKCWQAMF-MDZRGWNJSA-N 425.917 0.304 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326738 RZFAZPPWKUNTKK-SWLSCSKDSA-N 435.225 0.916 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782169096 YNSYGRCEKVAGFV-LBRALQKHSA-N 427.929 0.613 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782570250 HFCXNNGMLPBDAO-ACJLOTCBSA-N 425.848 0.566 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1783880737 KMKOSGABVVKQLW-CRAIPNDOSA-N 427.841 0.998 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(C)n1 1783934807 MJQYUDHOEBCOJT-QFIPXVFZSA-N 431.537 0.769 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786983788 SHHIDCRYXHWLFX-AWDZXFJFSA-N 448.328 0.690 50 20 ICGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)s1 1788611476 DCSIHNGMSFFMFG-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1791257291 XCHDKKIQMPJIEF-JHZZJYKESA-N 449.932 0.063 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771215 DAVHSPAIORUNJN-XUXIUFHCSA-N 439.372 0.574 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558909 ICFGRNOISQWFJS-OPMZPASUSA-N 427.505 0.063 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792980516 QZSQOONWGZPYHU-OJXGSEEGSA-N 448.900 0.032 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1793446375 AHRYWDAFWJEABD-QRJUGERDSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](O)CCl 1794116930 CRKUAUPLQULISY-UMPJEAMMSA-N 433.892 0.911 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)no1 1795112993 UMWDOIJFALBCJH-DPIQGUFMSA-N 443.298 0.686 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796891648 CILAHXIFWMSNMT-YOADBGGHSA-N 442.436 0.704 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796906318 INMHXSGTYDPJQI-DTJBLMBLSA-N 430.509 0.625 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958151 PJUNDBMWARSYMA-YVECIDJPSA-N 437.298 0.501 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799190672 URSIAEQWGDMWSP-XMTFNYHQSA-N 426.989 0.764 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2)[C@H](F)Br 1799348560 KYQLOYIYRJZSAD-YVCQSUGNSA-N 446.317 0.668 50 20 ICGD COc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1OC 1799660182 JQIYVMGVHSKCAK-DZJQYVJYSA-N 430.860 0.646 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334517 NBYLYDDGHDPPMO-BQIWYJNTSA-N 446.454 0.986 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnsn1 1804994682 MHMQNPXDKXWGGM-YJBOKZPZSA-N 437.290 0.246 50 20 ICGD Cn1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1805728818 JSCYOAIZBBZPDI-XLIONFOSSA-N 433.277 0.128 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncccn2)[C@@H]1c1cccnc1 1805781011 SKQYLMQPLFVOED-QAPCUYQASA-N 446.471 0.504 50 20 ICGD C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362011 YSCIQFZICRXRFA-LKUPVBHCSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(F)n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363191 YVYXQAIXCKGYQP-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1nc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807363989 RMUDMYRWUFXUFZ-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCO1 1807753300 LPSWJGVKLRDXFD-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807946784 CZSGYEMMMDZXEK-GDLCADMTSA-N 434.819 0.062 50 20 ICGD O=C(Cc1cc[nH]n1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348297 KKNCCAKQRHKWHT-CYBMUJFWSA-N 425.279 0.015 50 20 ICGD O=C(Cc1ncccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354936 IOGOGXVHLOMHQJ-AWEZNQCLSA-N 437.290 0.081 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n(C)n1 1815355189 QTDPWLKGNIKMMB-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476755 ZZCSBVCIIOACHP-MSOLQXFVSA-N 440.309 0.969 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ncccc3F)sc2C1)c1ccc(B(O)O)cc1 1820920986 UWQZDRSNTANWLJ-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1 1820932009 BVEKTZHHNKBTJT-GMOODISLSA-N 433.282 0.685 50 20 ICGD CCN(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824445121 JMQNHYBVOOBBTG-DOMZBBRYSA-N 430.339 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnn(C)c1)CC2 1826085523 YNFUQULSYCEUGR-AWEZNQCLSA-N 447.565 0.794 50 20 ICGD O=C(c1cnc(O)[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052237 GBLQCVWRWWVUJF-SFHVURJKSA-N 426.282 0.342 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830534867 DIQYGJBNAMWSAA-ACJLOTCBSA-N 448.358 0.389 50 20 ICGD Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830724736 BDTTVPOOLOINLN-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1831649793 BTMTVQXWBHGAQX-YLJYHZDGSA-N 430.977 0.098 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834635878 ZMMXCTDWKXQVBH-CPOKCXMASA-N 431.493 0.377 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835652666 QUJVVQDPZZSGFI-FZMZJTMJSA-N 441.323 0.150 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939416 PVCYDHSIKQXNRP-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715586 YMZJSSXTLNOACE-XRHLQHRESA-N 434.631 0.453 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839637899 XCVIGSQZTKREGE-IIDMSEBBSA-N 434.375 0.814 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840032176 PPWZDMHRCRKAAL-YVEFUNNKSA-N 428.283 0.641 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840152206 AUVRDPJZGKPRPS-KXBFYZLASA-N 437.884 0.053 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840153414 OBPLRSKKNCQGEZ-SJCJKPOMSA-N 433.292 0.454 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840154929 KOQMLQGGNHFDOU-HNAYVOBHSA-N 426.901 0.153 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Br)C2)nc1 1845217014 ZQLJSUDKNZVZHU-LBPRGKRZSA-N 434.287 0.993 50 20 ICGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 23157496 AQWAGRRNMKMLJO-HTAPYJJXSA-N 436.424 0.367 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)COC3)ccc1Cl 727719861 BSJSIPIQOOAHTK-UHFFFAOYSA-N 431.879 0.641 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 728380745 UPIFARNVMOZDLY-HNDQUVLASA-N 442.457 0.513 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CNc3ccccc3)cnc21 729513322 JWZUTXUZNIFTAF-UHFFFAOYSA-N 434.254 0.152 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1C 732473875 DAVQHNCQZBAPHZ-QGZVFWFLSA-N 442.538 0.501 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccccc1 733557426 DHKFXMMQRVCBEH-ZDUSSCGKSA-N 430.373 0.797 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741275619 GLNOUBIDAWBABR-UHFFFAOYSA-N 434.493 0.855 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742480670 MLPSYYKCKRUKII-RGCFKVTRSA-N 445.472 0.798 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744351087 JTWTVXFOZORECA-JDJRSUBASA-N 431.445 0.162 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c[nH]1 746099999 DLMUDHKTJWTLCG-UHFFFAOYSA-N 434.261 0.160 50 20 ICGD C=C(C)COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC 747046861 KLZCNJSBWCYRLA-UHFFFAOYSA-N 433.490 0.685 50 20 ICGD O=C(CCOC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753180762 VVRXTUZXCKIIAI-UHFFFAOYSA-N 441.506 0.054 50 20 ICGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 753214739 GLWILBPERIFDOB-UHFFFAOYSA-N 436.494 0.306 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1C 753841332 QVGNTJJZBCLJEA-NSHDSACASA-N 444.238 0.045 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1F 756818686 PCUWMPNIRCKYLU-YGRLFVJLSA-N 426.401 0.075 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 763623423 LXAKJNXVKGWWCA-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C 763665290 SHUVUAPDNPBBDG-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc2O1 763856198 DQVYAGXMFAPOBY-SFHVURJKSA-N 435.440 0.398 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 764226266 WHAUJXDMWPTUQP-HNNXBMFYSA-N 449.464 0.089 50 20 ICGD CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764228266 WVLBAMCTQDLSQR-QMMMGPOBSA-N 440.400 0.128 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 765126602 KRUIQLDBXMXXOC-UHFFFAOYSA-N 428.518 0.389 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)n[nH]1 765595234 HTWFRYMOSGZNIM-UHFFFAOYSA-N 433.421 0.947 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)n(C)c1=O 765731392 RIKOTUHBBXHNHS-DHZHZOJOSA-N 438.488 0.592 50 20 ICGD O=C(COc1ccccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccnc1 768017452 MGGWCONTJWEJRD-ZDUSSCGKSA-N 447.473 0.687 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cnc3ccccc3n2)cc1 773719738 YUTABOPSTJKHLQ-UHFFFAOYSA-N 430.446 0.894 50 20 ICGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 780363540 QGEVSNKYKHCIMD-UHFFFAOYSA-N 440.459 0.659 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 782415390 TYKGESDYDGLXSA-UHFFFAOYSA-N 446.460 0.888 50 20 ICGD Cn1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 783297577 TUQUSFMCDKSSTN-UHFFFAOYSA-N 443.489 0.438 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 785331284 RWPQQNBJKAEGQK-UHFFFAOYSA-N 435.458 0.896 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)c2ccccc2c1=O 790474751 VOOSAQGHTQJMOS-JOCHJYFZSA-N 439.472 0.489 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C#N)c(F)c1 793351799 ZTQPNSIKYVCENW-UHFFFAOYSA-N 425.467 0.922 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1 794721107 PYNARZKCYKTDPW-UHFFFAOYSA-N 444.473 0.839 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 799122011 XQDSUBXAQBFPLU-UHFFFAOYSA-N 431.879 0.466 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNc1ccc(-n2ccnc2)nn1 805406963 YQQUIOAQGMBFCX-UHFFFAOYSA-N 425.409 0.246 50 20 ICGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1C1CC1 806975953 WJGVHTKWYAEHTD-UHFFFAOYSA-N 437.464 0.792 50 20 ICGD CN(C)c1c(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n1C 807943780 KSYHEMVPEAXGQJ-UHFFFAOYSA-N 428.276 0.986 50 20 ICGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1 808069112 PYECJUSBZWPESR-UHFFFAOYSA-N 441.535 0.871 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 825614938 CCBAYHIZEXRLCD-UHFFFAOYSA-N 448.501 0.826 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914881231 CJJZPIBWGSXJFZ-OCCSQVGLSA-N 443.522 0.491 50 20 ICGD CN(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 915141518 UIIRDSKXIOBDDQ-HZPDHXFCSA-N 429.564 0.580 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 915185499 CHQLMHIFGUCXPS-GOSISDBHSA-N 447.469 0.309 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)nc2ccccc21 916295717 UJIPEPYRLDXJAT-UHFFFAOYSA-N 430.490 0.425 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 920834620 JNRWXTAXCICSGB-MRVPVSSYSA-N 433.455 0.978 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cn(-c2ccc(Br)cc2)nn1 1116289897 DMINDGXGTOWZFV-UHFFFAOYSA-N 444.249 0.616 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1327887974 MIOPVEXSMSYZHF-UHFFFAOYSA-N 441.531 0.389 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c(F)cccc3F)C2)C1 1780809412 WRJAOSDDBMRHPL-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD COCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969876 KYKKAKBXAAEKSR-QFIPXVFZSA-N 447.536 0.199 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1781899685 CLJNUXOOKGABFN-UHQDVWGKSA-N 430.343 0.952 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc34)C2)C1 1782249243 AIIWRNUBFCYXCG-XMMPIXPASA-N 445.284 0.672 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1782736868 PUDHECZYYMMILO-OBVISALNSA-N 443.529 0.825 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3O1)CCO2 1783938068 RHGBYAIVLAAASD-WMZHIEFXSA-N 444.532 0.583 50 20 ICGD O=C(/C=C/c1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785404154 BYYKPLMRMPAJIB-FPTSATQXSA-N 440.330 0.735 50 20 ICGD O=C1CC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)CN1 1785898865 ODGWBRFJVIXEME-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1786406098 IJOMBAPSZPGGLL-BPNCWPANSA-N 441.282 0.553 50 20 ICGD O=C(CN1CCOCC1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140656 GLHQKXURIZVDBS-UHFFFAOYSA-N 437.305 0.446 50 20 ICGD CC(C)CNC(=O)C(=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788141222 PSNQHGDADSLVPZ-UHFFFAOYSA-N 437.305 0.886 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788245460 OLGUDWLIICOJAP-OKYOBFRVSA-N 442.988 0.538 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4nccc34)[C@H]2C1 1790400097 DDCCIXDQTNFTJG-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792716146 QWTYAUSSGZXSGE-YFUQURRKSA-N 426.897 0.572 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2)[C@@H](O)CCl 1792981404 XQDCMRJLBDOSGK-VZAMPYOESA-N 439.852 0.333 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)CC1 1792983339 HSUAQKRXINCUER-XJFOESAGSA-N 431.917 0.233 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCO2 1798097805 OTHUKQGMNOBFSU-BTTYYORXSA-N 439.476 0.230 50 20 ICGD CCc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)co1 1798221672 RCJTWDROKPWDCV-POKDIBPUSA-N 442.476 0.574 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799346498 AOWWCOGXHWDCQO-RMPHRYRLSA-N 425.251 0.828 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)OC(C)(C)C)C2 1800982262 AYBJFIHHUBGQJP-FQLMCAECSA-N 433.933 0.745 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@@H](CNC(=O)CCBr)[C@@H]1c1cccnc1 1806340915 QVFUBXQHFFXPHJ-VBQJREDUSA-N 440.342 0.465 50 20 ICGD N=C(N)SCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967101 UJTJHKMNPGQOKD-UHFFFAOYSA-N 432.355 0.228 50 20 ICGD O=C(Cc1cscn1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810067579 WIGFEWJFZJGCIK-UHFFFAOYSA-N 427.335 0.910 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1c1cccnc1 1810301748 BJHXQVVWNGPYHB-DNVCBOLYSA-N 446.471 0.504 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812888612 PSBZOHIFADNJBH-OHLDOZIISA-N 449.316 0.649 50 20 ICGD Cc1noc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813072025 YNJVKCQIHVABKX-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD Cn1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815361712 ODGTVELYVQUNFL-OAHLLOKOSA-N 439.306 0.025 50 20 ICGD CN1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815488438 AATSBKZWGGPRHX-ROUUACIJSA-N 425.298 0.490 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471779 MTVNKXKGDMNMDI-FZKQIMNGSA-N 441.297 0.262 50 20 ICGD CC(C)(O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795279 LQGYFOVUPJWBAG-SNVBAGLBSA-N 432.506 0.528 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cnsn2)CC1 1825521217 KQXSYSTYKZARHN-SFHVURJKSA-N 428.323 0.765 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](Cl)COC)sc2C1 1825999691 CEORYMHZJUEVFF-ATEUNZGCSA-N 434.902 0.373 50 20 ICGD O=C(c1ccc(CO)o1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057983 OVWITSPBYNLFHW-HXUWFJFHSA-N 440.305 0.999 50 20 ICGD COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830478679 LUJRVPDTUSWDCX-UYSKRRQASA-N 449.508 0.003 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)on1 1832573509 OSUAGRWSDMRQKY-GUYCJALGSA-N 430.299 0.765 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114956 UPJLXMBHUMCECQ-RDTXWAMCSA-N 441.326 0.507 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)CC1)[C@@H](O)CCl 1833310848 VTQWTVMFPOCGFS-SFTDATJTSA-N 448.995 0.872 50 20 ICGD Cc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c1 1835154999 ARJYSNNYNHQUFN-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836183898 MCELJCYTTAOFDK-PXNSSMCTSA-N 425.913 0.724 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315798 MZMMQHLORYGYNK-MRXNPFEDSA-N 444.834 0.813 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839119275 NQPIXVQYOYULNM-LAUBAEHRSA-N 443.972 0.715 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149866 URNPPVVOPAANBL-JCGIZDLHSA-N 438.352 0.594 50 20 ICGD O=C(c1ncccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200134 GBDNDOQEOVUMPW-CJNGLKHVSA-N 434.237 0.981 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839966441 DXQSCTMJFJGQAP-PBHICJAKSA-N 434.331 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840034626 RFVPZCRCSIABQB-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840035290 MGZJOWMWPNXKQK-UGSOOPFHSA-N 441.326 0.683 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466758 VWVIYUBSINEIEL-QAPCUYQASA-N 443.342 0.593 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841354488 DBTFGQJJQTYDCB-UONOGXRCSA-N 431.917 0.425 50 20 ICGD COc1cccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1846930490 KALQGYDRELZFHW-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559531 IIXHMWMVTPIIRC-AJNGGQMLSA-N 431.917 0.424 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1848058690 AXUOWRFLZHXTAZ-IRXDYDNUSA-N 435.456 0.851 50 20 ICGD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 15639725 CMRXPLYREUFDBB-DZGCQCFKSA-N 443.547 0.445 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 110948477 MRRCNYHFUVUHFI-QGZVFWFLSA-N 448.457 0.618 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 725898464 YPMOPRJBPKXTEW-CYBMUJFWSA-N 435.524 0.324 50 20 ICGD CC(C)(C)NC(=S)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 726140015 NLJUIXLNFAPWAU-UHFFFAOYSA-N 430.552 0.810 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 727766280 ORLVOYPWLIHBAF-YVEFUNNKSA-N 434.474 0.730 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 729962872 KSLAJMCBLIFQJW-UHFFFAOYSA-N 433.486 0.807 50 20 ICGD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730457678 KVIQWLJVOFEIPV-QWHCGFSZSA-N 448.588 0.933 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2sccc2S(N)(=O)=O)cc1C 736770792 IOXPABSQJYEUQG-UHFFFAOYSA-N 431.517 0.946 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746760162 BCCBFDIUVODPDQ-CYBMUJFWSA-N 430.490 0.877 50 20 ICGD CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NNC(=O)C(=O)N1CCCC1 748342343 FXQXMDSQJLQZEI-KRWDZBQOSA-N 443.529 0.856 50 20 ICGD COC(=O)CSCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748619960 NITDFFJSNGWYAE-UHFFFAOYSA-N 430.552 0.362 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1C 750663952 SITHSOQJIZPBKL-LLVKDONJSA-N 427.458 0.151 50 20 ICGD Cc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(C)c1 757715450 LIDVQVIHVIFDSZ-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cnc(Cl)c(F)c2)ccc1Cl 761937927 ZEDDUFXPHMBCOR-UHFFFAOYSA-N 443.265 0.798 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3ccccc3n2)c2ccccc2O1 763455473 SIWAFQCJVBPTRU-GOSISDBHSA-N 434.408 0.963 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(N2CCOC2=O)c1 763573168 XVBKXDWMHXJACP-MRXNPFEDSA-N 426.385 0.569 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574906 LXEPTFNNEOLKFM-QGZVFWFLSA-N 442.428 0.080 50 20 ICGD Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718198 IVNKZTNYJGRKMS-UHFFFAOYSA-N 429.458 0.517 50 20 ICGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763825415 WRGWKARNUMYALS-HNNXBMFYSA-N 425.445 0.329 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 763890743 FUEIYDYETXAYRO-UHFFFAOYSA-N 446.533 0.402 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 763997350 KBWSDACDFMZBJI-SSDOTTSWSA-N 427.788 0.879 50 20 ICGD CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 763997374 KKRUGHDTENMJNQ-MRXNPFEDSA-N 444.513 0.844 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CSc1ccccc1O 764042394 HFNWGJXFTHYEJG-NSHDSACASA-N 441.535 0.349 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 764304146 VEUCYBWBTYYHLH-UHFFFAOYSA-N 440.504 0.179 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCCc2cccs2)cc1-n1cnnn1 764342097 UTHCSSXRPLOMNP-UHFFFAOYSA-N 429.462 0.841 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 764426677 VTCHOLFZYNIIBG-HNNXBMFYSA-N 438.868 0.467 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c(Cl)cccc2Cl)n(C)c1=O 765725436 SBBMHGVIPZJTCL-UHFFFAOYSA-N 439.259 0.131 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCn3ccccc3=O)CC2)cc1 766647267 CMWBYPHHPSIMRI-UHFFFAOYSA-N 425.533 0.902 50 20 ICGD C[C@]1(c2ccc(CNC(=O)NNc3ccccc3S(C)(=O)=O)cc2)NC(=O)NC1=O 766939804 WVIJHHNLRUOQFO-LJQANCHMSA-N 431.474 0.971 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)n(C)c2n(C)c1=O 768261527 VZLDPXYGCPWHFO-UHFFFAOYSA-N 427.446 0.102 50 20 ICGD O=C(NNc1ccnc(Br)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 771537224 ITMNAYLSBVMAOS-JTQLQIEISA-N 430.284 0.453 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1 773069730 IRKKKCBMNYNTAV-UHFFFAOYSA-N 439.881 0.823 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 773493707 HIXUIIWTWGGENH-UHFFFAOYSA-N 439.432 0.534 50 20 ICGD O=C1CN(CCNC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CCN1 781402293 YLZGLZQISVAZRO-UHFFFAOYSA-N 447.499 0.915 50 20 ICGD C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783425845 FAWKYOBECKCIRC-HXUWFJFHSA-N 434.518 0.637 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 786410591 FOSSAIVNYXTKTA-UHFFFAOYSA-N 445.404 0.675 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787888676 DVAYPAMLKVNQHO-UHFFFAOYSA-N 426.315 0.943 50 20 ICGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 793672554 CMJVTZHMZNVNPT-LPHOPBHVSA-N 440.566 0.510 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794599145 VWVAKYQWUSOYKB-UHFFFAOYSA-N 437.430 0.386 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369807 LAUOOZXLDBWQOP-UHFFFAOYSA-N 446.391 0.625 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Br 797429953 HNVBALDNSUVJRU-ZCFIWIBFSA-N 434.721 0.350 50 20 ICGD O=C(NNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccc(-n2cnnn2)cc1 798509603 ULUIZMSHAMXHKR-UHFFFAOYSA-N 440.386 0.407 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 799259367 ZJELCBKGAWOXSK-UHFFFAOYSA-N 427.373 0.496 50 20 ICGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801105856 KLDIMGPLORQZBO-UHFFFAOYSA-N 430.373 0.889 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)N3CCN(C)CC3)n(C)c2)C1 807382623 HWUQDQRAEONRTL-CQSZACIVSA-N 426.543 0.048 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cn(C3CCOCC3)nn2)c2ccccc2c1=O 809933472 ICVGVLWPHOVKCK-UHFFFAOYSA-N 425.449 0.995 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810384201 AMCURAGSMNLOKZ-UHFFFAOYSA-N 433.428 0.866 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1F 810390947 NKXQOAHFUQBCRN-UHFFFAOYSA-N 445.382 0.967 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1Cl 815691787 BJXDYEQHPBRJEO-JTQLQIEISA-N 434.840 0.457 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)N1CCc2ccc(Br)cc21 815692061 ILYPTVZFKAPUGQ-LLVKDONJSA-N 433.266 0.340 50 20 ICGD C[C@@H](Oc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)C(F)(F)F 815692563 UYCINVOWKNXYHN-GHMZBOCLSA-N 440.382 0.956 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)C1 816510301 RJKPTMSLNOAERI-CYBMUJFWSA-N 445.476 0.897 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)N=S2(=O)CCCC2)cc1 821127045 FBCYPNYSSCVTAE-UHFFFAOYSA-N 444.564 0.848 50 20 ICGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H](B(O)O)C2)CC1 864234825 WQRTZVQBSRXJLE-CQSZACIVSA-N 425.272 0.379 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccccc2Br)C1=O 916114194 VPSFQFCFCGDKLG-WDEREUQCSA-N 444.307 0.384 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCc3nc(C)ncc3C2)cc1 916318838 ZODINHHRGVCOEQ-MRXNPFEDSA-N 446.533 0.602 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1251973169 RQTRIYBWILPXQF-UHFFFAOYSA-N 440.522 0.612 50 20 ICGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 1319153355 LIAQTGYPEOCRSJ-UHFFFAOYSA-N 445.501 0.691 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1COc2ccc(F)cc2C1 1324541032 PDLOOHCNPHGOSW-GOSISDBHSA-N 440.475 0.982 50 20 ICGD CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1778317258 VJFWHARWIJZXLY-XOBRGWDASA-N 445.944 0.673 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779120698 RGDNRJPXWTVBOX-IFXJQAMLSA-N 426.901 0.950 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780167829 AFGUBJXMHAEAFE-QHCPKHFHSA-N 449.272 0.004 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1781259143 SGYSBYWJLSHJKW-QMHKHESXSA-N 438.289 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940043 DBCSXAGHPWFGEP-CRAIPNDOSA-N 427.841 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H]1CCOC1)C2 1782214721 YTGSWAOVELENLD-NJNPRVFISA-N 438.569 0.690 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783964432 SBPJCBVDYJCJQY-DGVSKKNDSA-N 432.359 0.912 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4[nH]ncc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984309 BKEITLKFXNFBNE-ZRCAFCQKSA-N 448.288 0.150 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2c[nH]nc12 1787321098 DDGLLEMNOBLZBH-VDGAXYAQSA-N 448.288 0.150 50 20 ICGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788490946 FGMHINQNMPCIMD-HNEGAWSPSA-N 427.336 0.815 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922194 IEQUQMGYKBSRGR-HVTMNAMFSA-N 443.273 0.464 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1791058685 BGKDKRHJOBORHD-NUZBWSBOSA-N 441.282 0.552 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1792872163 OYIWPTCMQHIQFK-IXKPWBKQSA-N 435.315 0.223 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CBr 1792987293 MSMPKZCVRMTFGQ-XHJNMGKDSA-N 438.388 0.983 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)CBr)C3)c(=O)[nH]c1C 1794308091 AASDJTVASZGTEW-WTDIUWLJSA-N 441.326 0.621 50 20 ICGD N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1796073458 MVQSMVWOYFUHPK-YRPNKDGESA-N 441.724 0.972 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442791 FGDSAJHXISFOJL-BTTYYORXSA-N 446.508 0.462 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799275028 HWVRYZSHYGAMPB-ZFHGCVPZSA-N 433.336 0.969 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800198926 OHSJQLMYBXPBMQ-OQMKEHIESA-N 427.299 0.006 50 20 ICGD CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)COC1 1800384757 UXZVEIGTRBJDCF-AMFOTSNXSA-N 431.493 0.137 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1C 1801651585 RPRYKCDTFOTUKZ-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803565662 YDXVWJNWRJQEBQ-BSIFCXSSSA-N 437.305 0.672 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363480 PIKDBZFURCQHPJ-CRAIPNDOSA-N 437.290 0.246 50 20 ICGD N[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)c1ccccn1 1809966761 LWEAWTXPUPLNBL-FQEVSTJZSA-N 436.321 0.306 50 20 ICGD CC[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067404 AMTHHAMFJMOVDY-GUBZILKMSA-N 446.371 0.821 50 20 ICGD CCn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1816555280 NILRDGFJGCJTKC-GOSISDBHSA-N 436.281 0.926 50 20 ICGD CN1CCC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1822547539 AWEHHXFBFIZSKF-HOCLYGCPSA-N 442.350 0.391 50 20 ICGD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)o1 1826085451 UMOYVGCRSJKOSX-LLVKDONJSA-N 435.510 0.362 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055954 PFFBMLTYOQTXQR-KXBFYZLASA-N 429.326 0.111 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)s1 1830724267 DXYQJBOZGCLKFK-MAUKXSAKSA-N 431.942 0.359 50 20 ICGD O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733395 LDZSZZUPHDNDAM-NQIIRXRSSA-N 448.907 0.746 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831092641 ABKGOWCGDGLNDB-TWOQFEAHSA-N 447.960 0.247 50 20 ICGD COC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1832065884 CHKRFIWINYZDSV-KRWDZBQOSA-N 446.508 0.274 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1833815652 QHTGOJBKRPCTIZ-XJKSGUPXSA-N 431.262 0.546 50 20 ICGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834566878 AWZVKQYJELGJFB-INIZCTEOSA-N 438.338 0.912 50 20 ICGD Nc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)s1 1834822322 HHJJEZOUZPUYDI-OAHLLOKOSA-N 433.328 0.580 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1834918454 BSIIQJFCSJUGNH-SQGPQFPESA-N 426.897 0.430 50 20 ICGD C[C@](O)(C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(F)(F)F 1836713819 MDLGMPISJAZHOV-CJNGLKHVSA-N 430.851 0.898 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714402 DFDBQSGRLSAZSW-HXUWFJFHSA-N 438.601 0.877 50 20 ICGD O=C(c1[nH]cnc1-c1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838493881 HHEIWOSZYFUWNW-YWZLYKJASA-N 449.895 0.141 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839084935 RKHVEQICIRNBJK-IQUTYRLHSA-N 448.347 0.648 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)no1 1839150672 UNHAYZSPYVEGFJ-DLBZAZTESA-N 435.308 0.613 50 20 ICGD O=C(c1c(F)ccc(O)c1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839410286 VMMWXYXYRPZOBZ-FZKQIMNGSA-N 434.823 0.340 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531431 VLDKQXHSTMCVAX-SFHVURJKSA-N 441.326 0.684 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030126 BDTOEZJCOCTCSW-OGHNNQOOSA-N 434.331 0.141 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840150964 URZPCDOXQDPMQZ-IFXJQAMLSA-N 444.916 0.446 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840152183 AOMSVCMRTAIJSE-ACJLOTCBSA-N 444.941 0.739 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)CCCO3)C1 1843918753 BGTKJZWHJWSYJC-UHFFFAOYSA-N 434.301 0.751 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1snnc1C1CC1)C2 1844264063 ACCBUYOVLBUNGX-UHFFFAOYSA-N 427.490 0.545 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847196823 RRKNPJWSSUOIOC-IRXDYDNUSA-N 429.669 0.553 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)n(C)c1 18396435 GLCJMJZYBHHJOI-UHFFFAOYSA-N 436.490 0.674 50 20 ICGD O=C(NN/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 18994095 SBHHOYYAJOIDEH-RERGGYADSA-N 426.454 0.665 50 20 ICGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)CNC(=O)c1cccs1 725909300 LALHFBVIBSXPFC-UHFFFAOYSA-N 439.291 0.818 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1OC 726381977 KSFXBPYRAKTJIQ-UHFFFAOYSA-N 449.485 0.864 50 20 ICGD CC1CCN(C[C@@H](C)C(=O)NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 726441156 RVJFRJSJWQLBCX-CQSZACIVSA-N 427.596 0.697 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)N1C(=O)NC2(CCCC2)C1=O 726618711 BGUOUXZDCBSLIB-LBPRGKRZSA-N 426.433 0.592 50 20 ICGD C[C@@H](Oc1cccc(C=O)c1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728338111 FDNAHESIGOQBTH-ACJLOTCBSA-N 428.397 0.797 50 20 ICGD CCN(C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1)S(C)(=O)=O 731355780 HQBPPILTXZAXNV-UHFFFAOYSA-N 442.538 0.211 50 20 ICGD O=C(CNC(=O)N1CCc2ccccc2C1)NNC(=O)c1csc(N2CCOCC2)n1 731866650 XTKTZPQZFGRXQF-UHFFFAOYSA-N 444.517 0.509 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccccc2OC)c1 735514274 VWSDQARTIBSDAS-UHFFFAOYSA-N 436.490 0.764 50 20 ICGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccc(-c3ccccc3)cc1)c(=O)n2C 743827363 WNESACFOQMDELP-UHFFFAOYSA-N 447.455 0.954 50 20 ICGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 745413826 QPRAFHUYWRUSFS-LJQANCHMSA-N 441.440 0.762 50 20 ICGD O=C(NCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745436545 PYVOVEAIRYXXER-UHFFFAOYSA-N 444.452 0.247 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)COc3ccccc3O)cn2)C[C@H](C)O1 747571781 PXOXWRSTJIBSTF-KBPBESRZSA-N 446.464 0.456 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc(C#N)cc1 748116702 DFRMAYSCDSYTAN-QGZVFWFLSA-N 436.515 0.783 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1 749921209 XNRGVUHONAMJAN-UHFFFAOYSA-N 449.479 0.783 50 20 ICGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)nn1 757409152 YWGZJLPWHXDWBX-CYBMUJFWSA-N 429.506 0.970 50 20 ICGD CN(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785167 BLXYKYCUUIKPGZ-UHFFFAOYSA-N 438.441 0.392 50 20 ICGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 763611807 DFYYLTJTRXDYFA-UHFFFAOYSA-N 436.428 0.731 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cn1 763695559 OLNRGWSNLUTCQA-UHFFFAOYSA-N 437.254 0.470 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cnc3c(c2)CCCC3)c1 763718804 MWXOCMKRZOYVPT-UHFFFAOYSA-N 445.501 0.610 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1-n1nnnc1C 763757688 KBIPDKZFXHVXIN-UHFFFAOYSA-N 438.448 0.445 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc(Br)c1=O 763861977 YEFJSTIHRQCUSZ-UHFFFAOYSA-N 446.261 0.958 50 20 ICGD CN(C)c1nc2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2o1 763922321 VDOKPIYYPXYMDQ-UHFFFAOYSA-N 435.404 0.269 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 763932912 VQLHEAYJLYTXSQ-UHFFFAOYSA-N 428.420 0.627 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 764133156 UJUZFOAKEBIKQZ-UHFFFAOYSA-N 426.429 0.976 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764197593 FSBQRKLRHINXQN-INIZCTEOSA-N 432.477 0.223 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 764228080 UVHFZJPGWTZCBG-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764545359 YNMRWANAUTZTHR-CYBMUJFWSA-N 445.476 0.721 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)COc2ccc(C)cc2)C1=O 771226378 CQCQLQPKLPLCFA-JOCHJYFZSA-N 440.456 0.997 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)s1 773232049 KKGIFLQSRSRUNU-UHFFFAOYSA-N 442.544 0.725 50 20 ICGD COCCOc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccn1 777275470 OTWWEKKFZULQFN-UHFFFAOYSA-N 436.490 0.497 50 20 ICGD Cc1cccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1F 781561379 OIGKKAYNDQEKFN-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2nnn(Cc3noc(C)n3)c2C)cc1 781900203 XZXDLSKYIQSDHX-LBPRGKRZSA-N 429.437 0.953 50 20 ICGD CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783425871 JFDSNKIOAMKAIK-SFHVURJKSA-N 444.941 0.957 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1=O 785650878 GCOZNRSDIXQUKF-MOPGFXCFSA-N 444.532 0.561 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1OC 785876153 FFSORBFQYJSXHP-MRXNPFEDSA-N 433.509 0.543 50 20 ICGD Cc1ccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n1C 787344580 CMCVJKNFHYHLLO-UHFFFAOYSA-N 426.521 0.736 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789312961 ZUEGWDYNOWCITH-GOSISDBHSA-N 443.479 0.811 50 20 ICGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)ccc2[nH]1 792352765 JNSXNRMZEJOEOT-UHFFFAOYSA-N 427.392 0.832 50 20 ICGD C[C@@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)NS(=O)(=O)c1cccnc1Cl 792853924 HLKRBLYMIYKBBA-RYUDHWBXSA-N 438.959 0.284 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2cncc(C(=O)NNC(=O)c3cccc(C)n3)c2)n1 795670716 ZMQTUIJHWOLFIU-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 796279676 NLDAVPGHQCJFFF-UHFFFAOYSA-N 446.489 0.769 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799667199 YSEPHHBCNZRCQL-JTQLQIEISA-N 440.881 0.139 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 808934569 LHNUOAVYHNDRDQ-NSHDSACASA-N 439.881 0.355 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 810392687 DVSMTHVADPRUCQ-CYBMUJFWSA-N 435.256 0.494 50 20 ICGD N#Cc1ccc(O[C@@H]2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2)nc1 814296182 RRWZDZMDEJGTSJ-QGZVFWFLSA-N 436.476 0.854 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 913025839 GOVBHQBCSDXJAU-MRXNPFEDSA-N 435.506 0.418 50 20 ICGD O=C(COC(=O)CCc1nc(-c2ccco2)no1)NNC(=O)[C@H]1COc2ccccc2O1 913391773 AODCMTLWXCINTI-OAHLLOKOSA-N 442.384 0.793 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 913531756 JDORAHGPLJUJNL-UHFFFAOYSA-N 429.401 0.722 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2cccc(C(=O)NC3CC3)c2)c2ccccc2c1=O 916648091 AFDVZIONYXJYPB-UHFFFAOYSA-N 434.456 0.970 50 20 ICGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 920858264 WFIMVNKJJYQIDC-UHFFFAOYSA-N 427.527 0.518 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 1318545902 SLLMUDUODBAUBF-MRVPVSSYSA-N 428.264 0.486 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 1326287922 YBFCYJNQVKRSRC-GASCZTMLSA-N 434.493 0.732 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnc2s1 1777986847 AOEMYRAVRJFUFK-ACJLOTCBSA-N 440.909 0.108 50 20 ICGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccc1 1779034939 XZJKYAGOTKFCID-YCRPNKLZSA-N 426.477 0.191 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780439938 CAPIYWWEBWPSSM-HXUWFJFHSA-N 429.307 0.143 50 20 ICGD CC1=NN(c2ccc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2)C(=O)C1 1780794713 XSECPGLXLNGMGY-DYESRHJHSA-N 448.907 0.842 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780799295 YEFUFBXCXXUKNH-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782002061 LWOIONRUIZPIFC-COCCGSRQSA-N 449.342 0.900 50 20 ICGD O=C(CCc1ccoc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782660833 NQDYWGJINZXSHQ-NFBKMPQASA-N 440.305 0.720 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783530369 XAWGGYBLZPOXFT-UGSOOPFHSA-N 441.326 0.748 50 20 ICGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783950265 VJELDRZCKWESFD-INIZCTEOSA-N 433.248 0.390 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3-c3cccnc3)C[C@@H]21)[C@@H](O)CCl 1784091285 MWMPOBHMCPQOHI-VGWMRTNUSA-N 433.896 0.665 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1785566820 QRHJPJVEXSCFLC-UWJYYQICSA-N 437.924 0.809 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406146 UNEXKKZZUZNVOS-QAETUUGQSA-N 439.354 0.716 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982213 ROCYDDVVNAYYTQ-CAMMJAKZSA-N 432.351 0.103 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)[C@@H](N)CCC(N)=O)cc2)CCC1 1787978395 UDIPVBOEOVKLCR-INIZCTEOSA-N 432.525 0.086 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 1788611325 UCXIJUHBTLJAKS-JVPBZIDWSA-N 441.532 0.859 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1788764144 NBIRLVDBWQZKKV-YHUYYLMFSA-N 432.615 0.395 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]3C2)CCC1=O 1789868669 IRCCEKJAKPMZQS-XBPIAWKYSA-N 433.336 0.811 50 20 ICGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)CBr)CC1 1792987724 YZMJODHJRXJZDT-LLLHUVSDSA-N 443.386 0.820 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H](F)c1ccccc1 1793717954 YLYKVCIYUZKXRY-PIKOESSRSA-N 426.253 0.280 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1794142654 JVLRSPUERYPSAM-RNJOBUHISA-N 430.937 0.240 50 20 ICGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)cc1 1795322643 KBYWGTVOOCMZHE-RMHZUWNSSA-N 432.901 0.893 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795494767 YZMIOMTXGXLOJQ-MVJTYMMSSA-N 433.896 0.724 50 20 ICGD CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795735323 ZUHQRNMPYWFNAW-VTYHHJSWSA-N 436.317 0.836 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cn2ncccc2n1 1797040687 CXMRDTYLPWEANP-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1799268037 IQQVYPFQPPFACE-LBKYZSNHSA-N 447.960 0.869 50 20 ICGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1799367021 TUQGSJCDURNZGI-SVZOTFJBSA-N 447.960 0.869 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281343 JEPKKWVITYDMDZ-LOUJCGABSA-N 440.884 0.754 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1800641405 ANAYKKOCBMSUOC-RMEBNNNOSA-N 428.331 0.677 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)nn1C)C2 1800976744 GDAQKIKNYQKDIX-MIJXAVMKSA-N 438.834 0.896 50 20 ICGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nc1 1801009474 LIABCWVLBUNJJC-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2 1801012262 RKTJRXXRRULRTA-XTCYKFNRSA-N 428.533 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803145945 JSJJXBZLKVAHGZ-VKJFTORMSA-N 425.917 0.060 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCCN2C)[C@@H]1c1cccnc1 1803167847 QIHXKATXCGCKFL-KNKQGSTJSA-N 444.580 0.945 50 20 ICGD CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1804494383 MUWDJKUJMKFRDC-BJWYYQGGSA-N 428.537 0.669 50 20 ICGD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]2c2cccnc2)=NN1 1808667817 FVYPTICATITYJE-DDTOSNHZSA-N 426.246 0.654 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1813034769 XEVQJTFLAILBNQ-VCBZYWHSSA-N 449.895 0.916 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@H]1c1cccnc1 1813068580 OFWDOWLRMOGUAH-JQVVWYNYSA-N 444.580 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1 1813072595 FXAGSVKNKCSFRQ-IERDGZPVSA-N 443.504 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccncc2O)[C@H]1c1cccnc1 1813073903 POGFYKQHTOMJLP-KKSFZXQISA-N 440.504 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1813073978 NCJYXPVQESFQKA-IERDGZPVSA-N 427.509 0.426 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnc1 1815350261 MXLGCRAVVLNMIU-SWLSCSKDSA-N 439.306 0.506 50 20 ICGD Cc1noc(N)c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355011 YWVMQHQJCRBCCN-LBPRGKRZSA-N 441.278 0.241 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1817121521 MBTMEGHKUFZLJF-FWOIEVBISA-N 426.821 0.029 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817360472 SUJHQHVOEWWQNR-HOSYDEDBSA-N 429.319 0.778 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824529521 JIOKXBSEYJJQFX-HXUWFJFHSA-N 443.353 0.514 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083077 JPJLNVGCNQYSJE-NVGCLXPQSA-N 425.555 0.835 50 20 ICGD O=C(Cc1cncnc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055845 HGXOCACBTUTNMG-NRFANRHFSA-N 436.321 0.632 50 20 ICGD CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060449 IZEAACGWRRHUJN-QRWLVFNGSA-N 429.326 0.124 50 20 ICGD CC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828924554 SGPSWILRNAFYIX-GOSISDBHSA-N 430.509 0.055 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1830534017 VBNSWJCRWYLGFH-QWQRMKEZSA-N 435.359 0.881 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)n1 1830535837 ULXLONUCACFAIQ-KBXCAEBGSA-N 443.342 0.679 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1830539894 KFNQJEYHOHSQNB-SCLBCKFNSA-N 445.310 0.873 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831861702 JUNSGQMXONTGOS-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD COC(=O)C12CC(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)(C1)C2 1833313108 WEQHPIODUOVWTG-ATIQYGATSA-N 441.956 0.501 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799799 BSWQITGUQLVIEB-FQEVSTJZSA-N 449.788 0.959 50 20 ICGD O=C(CN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835378042 MLDKCKDZPAAJAP-RDJZCZTQSA-N 436.322 0.619 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835807719 NMCYYHGEAWLSNN-HWPZZCPQSA-N 447.355 0.887 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835993923 NCORDSMMDYYQGJ-JXFKEZNVSA-N 425.913 0.712 50 20 ICGD O=C(CCBr)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1837654345 BFINJEACCQXLGB-BBRMVZONSA-N 432.359 0.493 50 20 ICGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838766695 ZMCZDONMYGIUTL-ZWNOBZJWSA-N 429.758 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155446 UDEXXYAFNYMGRR-VBNZEHGJSA-N 431.744 0.933 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)c1 1839203220 DHEHFTBUCOYZKO-CPUCHLNUSA-N 447.305 0.899 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4N3)CCO2)C1 1839737084 XZSGHSBYGFDLTE-PLMTUMEDSA-N 437.924 0.733 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840034450 LVPKMVDGNWKWKU-YVEFUNNKSA-N 445.314 0.282 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)CC1 1840035343 NTRHTMAVQCSKFM-CXAGYDPISA-N 447.326 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840154928 KOQMLQGGNHFDOU-DNVCBOLYSA-N 426.901 0.153 50 20 ICGD O=C(CCN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840940623 UIKNXRPVWUHJSJ-RDJZCZTQSA-N 436.322 0.619 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)C2 1846383860 CTWQXWQELUWGSI-NQIIRXRSSA-N 428.533 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2ccccc2[C@H]1O 1847601490 RRRKIRWZMQJZNK-ZVVDCOBXSA-N 428.533 0.857 50 20 ICGD O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931006 LTTQNXJGDWFQTF-CYBMUJFWSA-N 446.510 0.707 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 20909617 AUHZLSHLPDOCPQ-GFCCVEGCSA-N 434.449 0.821 50 20 ICGD CCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O 26546640 DJEVCBAQWKINFZ-UHFFFAOYSA-N 440.435 0.816 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110548735 OVJDJEPTUNGDQN-GNTOHDJUSA-N 430.486 0.378 50 20 ICGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 727228186 AKNCOZNUFARBCV-OAHLLOKOSA-N 447.521 0.330 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4ccnc4)nn3)cc2)CC1 728214038 IWVWZOUUSSGHTH-UHFFFAOYSA-N 442.505 0.355 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847681 KWEOLKPKPKCVLT-UHFFFAOYSA-N 426.477 0.621 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 728931634 DRZAAAQTKQIPEQ-HNNXBMFYSA-N 439.944 0.260 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2ccccn2)c1 729657336 QUYNPPIBKMEYCX-UHFFFAOYSA-N 432.440 0.484 50 20 ICGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 732307692 KNZGXFAGGOVDQZ-GXTWGEPZSA-N 446.323 0.599 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 734239646 UVGHKYPOVZGPTK-UHFFFAOYSA-N 429.437 0.645 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)COc3ccccc3O)cc12 742069627 KRALYBKXEQUQDC-LLVKDONJSA-N 431.474 0.994 50 20 ICGD O=C(NNC(=S)NCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 742988821 RVJWUAGPQBDPAK-JTQLQIEISA-N 426.442 0.951 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 743576240 WFGYMZXNRMWGGB-OAHLLOKOSA-N 433.446 0.461 50 20 ICGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc21 743830443 FHBXAZRNWJUIPG-UHFFFAOYSA-N 445.457 0.580 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 744610797 HTIPIHZSZSBAAB-UHFFFAOYSA-N 434.408 0.825 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 746093941 ONNGOQLLKSKYPU-UHFFFAOYSA-N 440.522 0.955 50 20 ICGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)C1CCN(c2ncccn2)CC1 746219769 WXZRBBWYNPDZQX-UHFFFAOYSA-N 438.536 0.448 50 20 ICGD N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 748241286 UCGVJMPKKGTBJB-UHFFFAOYSA-N 426.433 0.792 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCOC3CCOCC3)cc2)CC1 753342593 YPGFOJUBDAHXJI-UHFFFAOYSA-N 426.539 0.652 50 20 ICGD CO[C@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 753559335 VVHKKNSJBZLOTN-CABCVRRESA-N 426.543 0.457 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-n3cccn3)nc2)c1 755860284 XEDRDNTXLWBVLL-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 756625387 KFDNDJASWBISPJ-UHFFFAOYSA-N 447.521 0.595 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc(SCc2ccccc2)ns1 757696958 SHGYNXSJQBYEHH-SECBINFHSA-N 430.537 0.921 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2cccc(OCC#N)c2)cc1 760264522 QWWOAZVYNFVBBP-UHFFFAOYSA-N 430.486 0.908 50 20 ICGD COC1(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 761745100 BUHMLRNVDDCDQB-UHFFFAOYSA-N 439.534 0.938 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 762424342 GXAGOSIDPADADO-GZBFAFLISA-N 432.543 0.832 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 763775451 RDARZDHYYWVZBO-UHFFFAOYSA-N 441.444 0.629 50 20 ICGD CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763807838 HBYYMBFAHHWCPW-UHFFFAOYSA-N 430.442 0.268 50 20 ICGD Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227363 NQVMYMOYVDKEBG-VIFPVBQESA-N 425.492 0.142 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 764325252 GPBSBERVLMKIDX-UHFFFAOYSA-N 440.522 0.762 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764398264 QSEKVBNXODHJCH-IEMHXGKNSA-N 425.385 0.451 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2nccnc2OC)CC1 764471449 VEGKCFSWDPTKLN-UHFFFAOYSA-N 449.489 0.816 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764610172 YBGCWJNORPGCLY-UHFFFAOYSA-N 436.476 0.323 50 20 ICGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766656634 YTSGJPSMVDDYPU-UHFFFAOYSA-N 438.550 0.053 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc3ccccc3O1)NC(=O)CC2 768233342 NKIFSNQXQYKOMP-KRWDZBQOSA-N 440.412 0.506 50 20 ICGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O 773411394 KGRRQTJHKRPTHR-GJZGRUSLSA-N 425.530 0.191 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 782965805 IPDVABKYTVMWME-UHFFFAOYSA-N 425.376 0.998 50 20 ICGD COc1cc(I)c(C(=O)NNC(=O)N2CCN(C)CC2)cc1OC 788166658 QAMVQBGCMDEOQQ-UHFFFAOYSA-N 448.261 0.910 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F 794598703 MNVNCBRKFGOVAS-UHFFFAOYSA-N 443.384 0.899 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)cc1C 795771417 PAAAMPQPZYTEOA-FQEVSTJZSA-N 435.502 0.844 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)C2(S(C)(=O)=O)CCOCC2)cc1C 796392772 MCYYKWYMWONZEK-UHFFFAOYSA-N 432.520 0.517 50 20 ICGD CC(=O)Nc1ncc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)s1 808103067 CJMDXMQIYCKTRJ-UHFFFAOYSA-N 431.883 0.381 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 810346139 DWPBEWMKFFUCMR-UHFFFAOYSA-N 438.434 0.709 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2ccnc(N(C)C)n2)cc1OCC 810428004 VFOFOGMHYHGXFN-UHFFFAOYSA-N 438.510 0.762 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=C1CC(C(=O)O)C1)N(S(C)(=O)=O)CC2 814758399 AIPJYIWUQJJNOX-CVRLYYSRSA-N 439.490 0.920 50 20 ICGD CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691941 GEBAPLFAGGEWDF-GFCCVEGCSA-N 428.449 0.582 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 815692497 SEFXAJRYPYWSNL-OAHLLOKOSA-N 448.487 0.826 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 914536231 MWXXIBCBNRAFKJ-UHFFFAOYSA-N 430.490 0.874 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)o1 915417523 BJYLKFNTVQIQTC-UHFFFAOYSA-N 445.837 0.468 50 20 ICGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)CCCCC1 916254111 YPKADZOUAPVNHM-UHFFFAOYSA-N 436.332 0.973 50 20 ICGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1nnc(O)c2ccccc12 916645303 PIDLHYBEARFJPI-UHFFFAOYSA-N 444.473 0.399 50 20 ICGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2ccc3ccccc3c2)n(C)c1=O 917195352 IMHNJSCWKILZOQ-UHFFFAOYSA-N 434.456 0.367 50 20 ICGD C[C@]1(NNC(=O)NCCNC(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 918141503 YVRMFQZIHGWCQV-HNNXBMFYSA-N 433.328 0.560 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C[C@@H]1CCCO1 919889676 RDZRCHZHKODYGH-BIJQAGJASA-N 449.533 0.708 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNc2ccn(C)n2)c1 1256184642 PQKCBLBQFYZJJA-UHFFFAOYSA-N 432.300 0.864 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1779031683 DNKITIXNTZUGQE-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779053123 BJZMXTOHODRJIB-GUYCJALGSA-N 426.315 0.892 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)n1C 1779928109 VVBGHQRHKOPLMC-QFIPXVFZSA-N 425.294 0.079 50 20 ICGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1781229788 JMBIRHGLEXUJBB-CVEARBPZSA-N 425.382 0.537 50 20 ICGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782049876 GUXSWUKBOWXGEF-LPHOPBHVSA-N 440.884 0.704 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783344256 SBXFBCOKRYSAKA-PXAZEXFGSA-N 429.315 0.598 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1783882826 SBICBGRDDXLKQO-XIKOKIGWSA-N 440.909 0.453 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934609 DQUIWRPLMQWZPN-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1783966289 DCQSEVRGMAFASR-QPSCCSFWSA-N 446.342 0.839 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086588 YRODUFBTRFAWHB-KNJMJIDISA-N 435.952 0.623 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC4(CC3)OCCO4)C[C@@H]21)[C@H](O)CCl 1784095004 ZLTDAENLLHDWIS-NXOAAHMSSA-N 430.929 0.499 50 20 ICGD Cc1ccc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784097476 ZWYFGVOBEGUNRE-FJIDUMEYSA-N 437.924 0.304 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786258224 IMGZURGZMRKZHO-ZJOBFFGXSA-N 437.928 0.627 50 20 ICGD Cc1c(F)ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1N 1791289320 SPVRCSXWGKWRJB-ZVZYQTTQSA-N 449.527 0.683 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccccn1 1791293245 PZRRFENFHWBZGN-DWRORGKVSA-N 431.537 0.538 50 20 ICGD Cc1ccc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1791920146 FNMJEZZEQYUIMY-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)CBr)C3)c(=O)[nH]c1C 1794308090 AASDJTVASZGTEW-WBMYTEFPSA-N 441.326 0.621 50 20 ICGD Cc1ccc2oc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2n1 1795942749 RJMGALXRNMKVGP-VPTLXERWSA-N 449.272 0.333 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1COc2ccccc2O1 1796190044 SFYQULIICTXBSB-NYUBLWNDSA-N 436.273 0.458 50 20 ICGD O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)ccc2N1 1796191416 IVYLQANSRQWTLJ-REPLKXPHSA-N 433.273 0.427 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cn2cccnc2n1 1797389818 KBWVSDHHSGWEIF-LFSVMHDDSA-N 426.246 0.623 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cc2c1CCC2 1798444075 SCDGANISOABGGC-ZSBFGKGUSA-N 438.488 0.019 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn2c(nc1=O)SCC2)[C@H](O)CCl 1799839123 NRKZYJAMNRJVLN-XJFOESAGSA-N 426.926 0.129 50 20 ICGD N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)ccc1F 1800132914 OCFAYRWNIVVMGL-ACDBMABISA-N 435.264 0.872 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C(=O)OC)cc1)C2 1800980953 HVOXGHXACNRTBW-ZMMAXQRCSA-N 438.908 0.859 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)C2 1800981006 KPBMJBRHWHEJSA-IAFLNBNSSA-N 430.929 0.809 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)c1ccc(O)cc1 1801012450 GOSWGQUNLCHRSX-WGVRVLLMSA-N 432.521 0.458 50 20 ICGD COC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802599251 ONALFDXGSVNGQH-MAUKXSAKSA-N 440.504 0.825 50 20 ICGD C[C@H](CBr)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1803017285 FNWGSWJHPYJKBQ-UXIGCNINSA-N 426.315 0.787 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803543949 PHLSWDOJAJWJQV-OZOXKJRCSA-N 435.289 0.119 50 20 ICGD CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804078730 LQEPZMAMCZDYKZ-WIYYLYMNSA-N 439.321 0.896 50 20 ICGD Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)c1F 1805122605 OIUHARACHCEDAA-FOIQADDNSA-N 445.499 0.945 50 20 ICGD Cc1ncc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805246989 VTUAQHSREGEVGR-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD C[C@@H](Br)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806591226 ZGVVJESOEYRORZ-GFCCVEGCSA-N 429.315 0.553 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362968 LCURSLANTCPZTR-AUSIDOKSSA-N 444.300 0.719 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807363338 ZHWLAQOPFPFHTC-ICSRJNTNSA-N 448.288 1.000 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369160 BTXBTJRVYPICIQ-WIYYLYMNSA-N 439.321 0.896 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814871798 CQAUDPWZERMOHB-TYNCELHUSA-N 445.904 0.845 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(Cl)Cl)CC2)c1cccc(B(O)O)c1 1815361560 KEDABHIFPXSQJS-JTQLQIEISA-N 428.106 0.852 50 20 ICGD CCn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817473143 IJJSBUDIQJPNNP-SFHVURJKSA-N 436.281 0.926 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccn(C)n2)[nH]n1 1822414025 KWVOCWKSOHSKGG-INIZCTEOSA-N 430.513 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)[nH]n1 1822416713 LJSPTWUJKQZXKK-OAHLLOKOSA-N 431.501 0.457 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825640727 CUKKFNKNPYBSCQ-CIUDSAMLSA-N 432.344 0.431 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830730609 BCDVDUFVHPZXOJ-XLIONFOSSA-N 437.880 0.237 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831643666 GEJHUUWLDAYDAI-DNVCBOLYSA-N 428.917 0.906 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1832897661 XCGADXFUOOFVRE-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832945388 VQMPUCFZRLTAIM-GUYCJALGSA-N 429.315 0.582 50 20 ICGD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421954 ZLGNYDKSCBPHFP-UHFFFAOYSA-N 443.390 0.183 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715371 MOSRVEVTRFQEPR-JXFKEZNVSA-N 428.602 0.867 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794651 YAFFFZRIBMKBHV-OAHLLOKOSA-N 446.258 0.173 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839149445 HAWHQZWMRXPEIR-PXAZEXFGSA-N 449.982 0.321 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)c1=O 1839150095 BSWCLKIBVBVFNG-RTBURBONSA-N 446.331 0.692 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839150958 CVUXFQXLWPYKSF-IRXDYDNUSA-N 433.292 0.489 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839965626 FTUIQSFVXFFRSO-BZNIZROVSA-N 432.271 0.624 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccc3)C2)C1 1840183740 WSZHWJMJRMECBW-HSZRJFAPSA-N 446.548 0.449 50 20 ICGD O=C(c1cc(N2CCCC2)ccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011196 BEFVWRCJPHFBQS-UHFFFAOYSA-N 434.305 0.492 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012623 IHFJYHOQFVUVOY-HNNXBMFYSA-N 425.319 0.759 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)nc3n[nH]cc23)C1 1843206254 LHVIMMCSEJQYBA-UHFFFAOYSA-N 433.900 0.801 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(F)cc13)C2 1844264434 RXOCDJHYVPMIFG-UHFFFAOYSA-N 437.435 0.831 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847118224 QIRMRGYFNIUYNF-UHFFFAOYSA-N 426.253 0.574 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc(C)n(C)n1 1847666589 IHSGBBDWRDAAFN-YMQCXJOPSA-N 425.493 0.607 50 20 ICGD C[C@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)N1CCN(c2ccccc2)CC1 725872406 WFULBUFAWYXINM-MRXNPFEDSA-N 428.493 0.551 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 725873253 VNWICBUSQSYGIP-UHFFFAOYSA-N 432.462 0.949 50 20 ICGD O=C(NNC(=O)c1ccc(-n2ccnc2)nn1)c1cccc(S(=O)(=O)N2CCCC2)c1 725878301 HAIWHCJVIYVTFB-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 726448476 DUCYWIRNESHSAL-UHFFFAOYSA-N 438.535 0.376 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2c1=O 727365060 JZABXMBKEQIIAJ-UHFFFAOYSA-N 425.357 0.688 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)NCC1CCC1 727869455 VTHBEJQBTCYFTR-UHFFFAOYSA-N 442.563 0.625 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)C[C@@H](C)O1 728852138 NPXUZYYJLAWYTE-GASCZTMLSA-N 432.502 0.883 50 20 ICGD CN(C)N(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 730451016 DRQQCTCYDYZNIY-ROUUACIJSA-N 443.591 0.721 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732265032 YDFASFXHDUUGFH-HOTGVXAUSA-N 440.566 0.976 50 20 ICGD CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 732409454 DABMCRIVRHIJMP-DAXSKMNVSA-N 442.428 0.476 50 20 ICGD O=C(NCCOc1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734072239 XDYQEEVUOIBFSZ-UHFFFAOYSA-N 433.490 0.889 50 20 ICGD O=C(CCCn1ccccc1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 735028294 KWKCTJMIYPVPDA-UHFFFAOYSA-N 432.502 0.874 50 20 ICGD NC(=O)CC[C@@H](C(=O)NNC(=O)[C@H]1Cc2ccccc2O1)N1C(=O)c2ccccc2C1=O 746185539 KDZLKEGKSIZABK-DOTOQJQBSA-N 436.424 0.068 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 746545201 IMLREZHGGGJQNJ-UHFFFAOYSA-N 443.485 0.359 50 20 ICGD CN(C)c1nc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1 747589846 UKLNDLYAVCGVFS-UHFFFAOYSA-N 426.524 0.604 50 20 ICGD COC(=O)/C=C\c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 747597497 ZDVWHSXJCVSXMC-WCIBSUBMSA-N 428.430 0.472 50 20 ICGD Cc1nnc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cn12 749401020 WZWBTSUXXJILQX-UHFFFAOYSA-N 444.473 0.133 50 20 ICGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751282532 NCNWMMKNTDPORU-UHFFFAOYSA-N 435.480 0.030 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2C)cc1 751521258 NMDWHCALGQVSRE-UHFFFAOYSA-N 427.490 0.606 50 20 ICGD Cn1ncc2c(N3CCN(C(=O)COC(=O)/C(C#N)=C/c4ccc(O)cc4)CC3)ncnc21 754539596 HJQOHZVTWKSHRV-MHWRWJLKSA-N 447.455 0.868 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 757782186 ZOGRKQQMHBHMSB-GFCCVEGCSA-N 440.453 0.652 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763571879 PKNBQJKCUXKFCV-SFHVURJKSA-N 428.445 0.553 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)ccc1OC(C)C 763920666 BOZRCWZJAASDPN-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763977456 QQPHJFSLPBXLGK-UHFFFAOYSA-N 440.865 0.495 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OCC(F)(F)F)c1 764003012 WSQCZGZQZJQZEF-JTQLQIEISA-N 437.396 0.457 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 764005297 XNCHIXGCHNHSCB-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c1 764235037 PDMVGSGZVZIFHC-UHFFFAOYSA-N 434.391 0.950 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1S(N)(=O)=O 764363257 MMNOFEPQNBCLDP-UHFFFAOYSA-N 434.474 0.199 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 764425684 QSGZVNVWTMTWLG-QGZVFWFLSA-N 426.429 0.118 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 764425725 RQTUBROLLKPNTF-CYBMUJFWSA-N 441.366 0.452 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 764637633 ZXLWPDXAZRFUFE-UHFFFAOYSA-N 440.460 0.138 50 20 ICGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764741609 YVQVRGHJRQQLSA-UHFFFAOYSA-N 441.506 0.590 50 20 ICGD CO[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOC1 764811649 UMALQYDOGRWRLC-SFHVURJKSA-N 426.495 0.221 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3(S(C)(=O)=O)CCCC3)CC2)cc1 766648233 IXLYZWUHSHGINT-UHFFFAOYSA-N 436.578 0.617 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cnccn3)CC2)cc1 768064669 OUEXWDIPDQEBPR-UHFFFAOYSA-N 448.505 0.242 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 770255647 AICPCCPTKLUEMR-DGCLKSJQSA-N 446.913 0.131 50 20 ICGD C[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1Cl 778441098 JEROIPLFDWWHDC-JTQLQIEISA-N 449.917 0.464 50 20 ICGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCOC1 780862361 XHACZOHLFLTEPZ-CABCVRRESA-N 426.543 0.459 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)c(=O)n(C)c1 784833061 FCFJJTVPSHLMEZ-UHFFFAOYSA-N 435.506 0.852 50 20 ICGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)CC2)C[C@@H](C)O1 786925524 DHMNXVLUHNXADM-LLAMLJDKSA-N 434.518 0.797 50 20 ICGD C[C@]1(NNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCS(=O)(=O)C1 786967327 VMPNVJVTAKDYAI-QAPCUYQASA-N 430.477 0.837 50 20 ICGD CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 787093974 MMRQLIIQLRCDFD-INIZCTEOSA-N 426.385 0.768 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2nnn(Cc3noc(C)n3)c2C)cc1C 787142776 YSDUZTAZTWVDSD-UHFFFAOYSA-N 447.477 0.877 50 20 ICGD Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c21 788337245 JMHNXLYWEKCZIO-UHFFFAOYSA-N 428.474 0.871 50 20 ICGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1C(N)=O 789733188 HYDXACXGEXMFPO-KRWDZBQOSA-N 426.429 0.662 50 20 ICGD O=C(NNc1nc2ccccn2n1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 791242687 IFAIGDAVIZCVCR-CQSZACIVSA-N 431.434 0.934 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c(C)c1 796992150 NXTRDWJAZZWZHH-UHFFFAOYSA-N 444.444 0.293 50 20 ICGD C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369487 ZNKHLVRVVCHZSW-ZDUSSCGKSA-N 428.449 0.866 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(I)cn2)n1 797370451 MGKRLCXQJAYYDM-UHFFFAOYSA-N 425.186 0.789 50 20 ICGD COC(=O)c1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nn1 799231880 VJFSYGNWWBHVKE-UHFFFAOYSA-N 436.450 0.045 50 20 ICGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)c(Br)c1 802722174 RXIPNAHSKHAVJX-UHFFFAOYSA-N 442.313 0.088 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1 806978270 UFJKHRLILKSMBT-ZCFIWIBFSA-N 435.434 0.258 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 808068321 TXFGHVROFYFVHC-UHFFFAOYSA-N 438.487 0.949 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(C4CCOCC4)nn3)CC2)cc1 810594009 QCMHSDXOROMAIQ-UHFFFAOYSA-N 441.536 0.517 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)n1N 813365071 CWXHRGFXNPQRSQ-UHFFFAOYSA-N 440.555 0.099 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 815751738 MOPYZQJGQJURCD-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CNC(=O)COc2ccccc2)C1 816509808 CQKNZUOFMFNQLI-HNNXBMFYSA-N 434.493 0.976 50 20 ICGD CCCn1nc(C(=O)NNS(=O)(=O)N=S2(=O)CCCC2)c2ccccc2c1=O 821127797 NHIPMIAGQHMLEH-UHFFFAOYSA-N 427.508 0.548 50 20 ICGD O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)NNC(=O)c1ccccc1 915008888 NYFJYCNXLQNWQW-UHFFFAOYSA-N 447.469 0.326 50 20 ICGD CC(C)(C)OC(=O)NC1CCN(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 917126830 OFBASARFWVBPIM-KRWDZBQOSA-N 434.493 0.963 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nc(C4CC4)no3)nc2)CC1 918233031 CQUNKHHMDFPLOC-UHFFFAOYSA-N 436.498 0.104 50 20 ICGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccc(-n2cnnn2)cc1 920298632 PXXSJMCSLSLZFG-UHFFFAOYSA-N 449.452 0.785 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777822245 GVDXWLXUUAPXFW-JOCHJYFZSA-N 449.471 0.090 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1779294742 XXGFVTIUQUYHAP-FQEVSTJZSA-N 436.585 0.816 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779466181 TWTUPDABEGZXNF-DKZVUGQWSA-N 432.326 0.307 50 20 ICGD CCc1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)co1 1779821993 AZGJRJFAIVYFQZ-XMSQKQJNSA-N 441.293 0.358 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1780702067 BWMWRPXCHUEGIY-BBEGDGIKSA-N 436.900 0.563 50 20 ICGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997536 ARYXVZWRXYHHLG-CTNYNGJSSA-N 448.358 0.435 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCC3)C2 1782215218 YYRPLINJAGADKE-XMSQKQJNSA-N 446.552 0.330 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782270221 MJACSRVCYCTEOU-JXXFODFXSA-N 425.602 0.878 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783541928 FRJRSORREZRMJK-ACRWPFGISA-N 433.892 0.326 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3S)[C@H]2C1 1783548751 IOPASSCQULMGFA-BPUTZDHNSA-N 435.550 0.337 50 20 ICGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)C(F)(F)F 1784875635 GWBRHXPMVIHSNQ-GUQUVYQDSA-N 435.212 0.970 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785338540 JEGLBHSVKMJWCA-KUHUBIRLSA-N 433.933 0.985 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1786406111 JGRMWTQVHGKSFN-QEJZJMRPSA-N 439.310 0.785 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786898046 BOFPMTPVUMIJGV-QNSTZXKLSA-N 434.331 0.202 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCSC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986838 LMSJDNOABRFQDN-NBMJBFSESA-N 432.351 0.103 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(Cl)nc2n[nH]cc12 1787234551 HXTDZXXECUQSCD-WTDIUWLJSA-N 442.303 0.804 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788143491 ISZNZNBZYYGDDF-UHFFFAOYSA-N 447.256 0.039 50 20 ICGD N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1790142209 AMECKMKGKSJROI-BVSLBCMMSA-N 447.300 0.340 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782940 JUMWEZJJPNFBMT-XGUBFFRZSA-N 447.960 0.727 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2ccccc2[C@@H]1O)c1cccc(B(O)O)c1 1793181545 WYVISKGASVEGHB-PMNYKWLYSA-N 448.328 0.914 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009014 XSJWVKQSVCEKJR-MWGHHZFTSA-N 430.259 0.552 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 1798440105 BXXBPGDTNLYOQU-UIVXKWKOSA-N 435.484 0.941 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1799268541 ZQEIEQDASZFSLR-DGADGQDISA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)c1cc2n(n1)CCNC2=O 1800156410 UOWFVXDQAOWIAH-BSTOTGJRSA-N 428.262 0.569 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1800671789 KOGXPGLAJUELHV-JJLQDPRZSA-N 434.331 0.886 50 20 ICGD CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCO1 1807371103 PYIZRKCLXUDUIJ-GHTZIAJQSA-N 435.289 0.775 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374836 JYHMZEQTUBWOEI-GHTZIAJQSA-N 445.288 0.493 50 20 ICGD C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335765 PRJLYMLFMGKRAZ-SWLSCSKDSA-N 429.307 0.640 50 20 ICGD O=C(Cc1ccccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815740671 FIMMAUPXSMHTFW-INIZCTEOSA-N 436.302 0.686 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)O1 1818731345 HRKQULOFDWSNIR-DJSGYFEHSA-N 429.307 0.616 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401629 LVVPBTQEBSCVBR-CXAGYDPISA-N 439.476 0.752 50 20 ICGD CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)CO[Si](C)(C)C)sc2C1)C(=O)C(=O)O 1820169092 KIFOUZFCRHRJOG-SNVBAGLBSA-N 442.570 0.450 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1830534012 VBNSWJCRWYLGFH-GLJUWKHASA-N 435.359 0.881 50 20 ICGD COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)CBr)CCO3)C2)CC1 1830534822 CLYIYLJCMGSKRF-KSSFIOAISA-N 433.343 0.900 50 20 ICGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)n1 1830535838 ULXLONUCACFAIQ-KDOFPFPSSA-N 443.342 0.679 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Br)CC)C2)C1 1831192022 WKSKPAAXZVGMHD-GLJUWKHASA-N 448.358 0.531 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1831937403 FDXCAINNCRXFKZ-QUCCMNQESA-N 441.337 0.126 50 20 ICGD CC(=O)N[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(C)(C)C 1833305990 IDLFFMKCYOSAIR-ROUUACIJSA-N 445.004 0.709 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1)[C@H](O)CCl 1833306442 QWUGYNDCJXGTHL-QGZVFWFLSA-N 433.018 0.207 50 20 ICGD CN1CCC(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833306704 YSJJHHRNYXGQJC-LJQANCHMSA-N 429.005 0.890 50 20 ICGD O=C1Cc2cc(C(=O)N3CCC(N4CCC(NC(=O)[C@H](O)CCl)CC4)CC3)ccc2N1 1833310098 HZUYGJUSKBBHKD-LJQANCHMSA-N 448.951 0.966 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)n1ccccc1=O 1833312629 TWILGDAYGCSQMG-CRAIPNDOSA-N 438.956 0.581 50 20 ICGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833509757 XIWKYWSRQNNDIW-BLLLJJGKSA-N 447.261 0.246 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)on1 1834207728 JIBUJZXDFMLMTQ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cn1cc(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cn1 1834818382 WGYNTTLQYUPPFN-SFHVURJKSA-N 425.961 0.524 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834820359 ZWQWTDSKNKEBKK-JXCVUKRWSA-N 444.326 0.086 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875850 IIZHCVKFBGZYPJ-HNNXBMFYSA-N 442.362 0.418 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c1 1836199616 BTZIXLGOOCCJCR-ROUUACIJSA-N 433.336 0.884 50 20 ICGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715043 SVVMCYZEZJIQIC-FQEVSTJZSA-N 442.585 0.804 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715416 OTXNJRMGCRNNJW-DNVCBOLYSA-N 444.605 0.002 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839147369 OMIKUFOPABZPEE-IAGYGMIVSA-N 441.956 0.861 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839216882 SQMFJRJNHKHZGO-SYNHAJSKSA-N 426.897 0.510 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839532431 FGSZYXVKJAQWIV-HXUWFJFHSA-N 436.585 0.751 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1839966585 JYLYASSBELQSGP-OTRWZCATSA-N 446.342 0.656 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840030867 YYFCVDYVDNUSQS-MEDUHNTESA-N 429.271 0.036 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840034416 KGVRLKVTCPWUAZ-KWBADKCTSA-N 446.111 0.917 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1840153404 NLLBTQWEUFFRCE-XIKOKIGWSA-N 442.925 0.948 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)cn1 1840465645 KPDUFIDUBHGWQV-ROUUACIJSA-N 433.336 0.655 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)COCCNC(=O)OC(C)(C)C)C1 1845154848 DMEKAIVDMCOSDR-AWEZNQCLSA-N 433.933 0.985 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845264361 BNMYFCDGDSVOHZ-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)NNC(=O)c1cccs1 14672400 KHDQOTZLXBEQHT-SNVBAGLBSA-N 429.549 0.407 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 18995668 JQPCWLAHTNEOGD-LBPRGKRZSA-N 443.503 0.510 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)c(C(=O)OC)s1 726520699 LWXBJTPKQIWSPJ-UHFFFAOYSA-N 444.443 0.659 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)CC1 728214115 LQUXHKWDPXEHJX-UHFFFAOYSA-N 435.462 0.993 50 20 ICGD CN1CCN(Cc2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)CC1 728983195 CXPLHMNGFAIVBQ-UHFFFAOYSA-N 437.548 0.902 50 20 ICGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1ccc(Br)cc1Cl 730545983 KRHFCSNGUYISTH-UHFFFAOYSA-N 425.630 0.948 50 20 ICGD O=C(COC(=O)CNC(=O)c1ccc(F)c(F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 732328947 GLGUYCNTBZPSMP-UHFFFAOYSA-N 436.327 0.607 50 20 ICGD CC(C)OCCCn1c(NNC(=O)[C@@H](C)NS(C)(=O)=O)nc2ccccc2c1=O 733362606 TYEPVIOZTSLKPA-CYBMUJFWSA-N 425.511 0.592 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(C)o1 736460593 ZMRFJUQBWANEMS-IHRRRGAJSA-N 427.479 0.832 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742479682 CAJMKEIFULYJJR-KNCCTNLNSA-N 431.445 0.407 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1S(N)(=O)=O 743830403 UIOYNPDZBQBDIN-UHFFFAOYSA-N 426.476 0.512 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)sc1Br 744472002 ZHORZVSQDCHLFB-UHFFFAOYSA-N 425.208 0.664 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 744505775 HEYQDVLZWAYSIJ-UHFFFAOYSA-N 442.453 0.617 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)c1 744734000 BAXAAFMTHJQUJX-CQSZACIVSA-N 449.485 0.272 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 747372837 ONJZMMXYXUNBAK-UHFFFAOYSA-N 443.460 0.111 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cnc2c(N)ncnc21 750503074 RGUSLOWGMBWBEH-UHFFFAOYSA-N 433.812 0.075 50 20 ICGD CN1C[C@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1=O 750653106 OKZKAWLXNASPHX-QGZVFWFLSA-N 434.460 0.563 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CC(=O)N(C2CC2)C1 750654757 GLYJSPLBNKPWGK-AWEZNQCLSA-N 435.506 0.178 50 20 ICGD CN(CCCC(=O)NNC(=O)CNC(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1 751206372 FYROFFBAHCPLHN-UHFFFAOYSA-N 440.453 0.397 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)oc2C)c2ccccc2c1=O 751297179 HJLASSVVIRYCMI-UHFFFAOYSA-N 433.446 0.301 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ncccc3C)n[nH]c2n1 752237316 SGZFQKYZYQBVPQ-UHFFFAOYSA-N 430.498 0.062 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 753035300 YHXGRJXUHFEJIH-GOSISDBHSA-N 445.443 0.279 50 20 ICGD COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 758048734 UZCYPJPDCAPJFM-WIOCWTDVSA-N 425.511 0.304 50 20 ICGD CC(C)C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760067118 SOIBDQARCHJXTH-NSHDSACASA-N 438.428 0.421 50 20 ICGD O=C(Cc1cccnc1)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 760363015 PBPAXFHPZBKJBH-UHFFFAOYSA-N 438.531 0.808 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNc3nccc(N4CCOCC4)n3)cc12 762852855 XBXQBMQHVCBNEC-GFCCVEGCSA-N 444.521 0.831 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 763604203 HRVSWWNWYSIXBY-UHFFFAOYSA-N 449.471 0.977 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)c1 763774522 DESLPRRICUVHAZ-UHFFFAOYSA-N 428.380 0.823 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 763808372 MQYKTYVLXUMMKE-UHFFFAOYSA-N 435.440 0.959 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763839059 YGYDHASTMGDEJF-UHFFFAOYSA-N 431.424 0.491 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 763872999 QTNZUUPGRUZMIN-GFCCVEGCSA-N 432.408 0.633 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1I 764325851 UQBQZVXCKLQUFP-UHFFFAOYSA-N 427.145 0.692 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cc1 765390941 CORUXVDVLYALEY-HMAPJEAMSA-N 439.494 0.994 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 770531895 RBKLVGUUQGOFQK-NSHDSACASA-N 445.885 0.545 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)COCc2ccccc2)C1=O 771262212 BOEPVJHXUMPFDM-QFIPXVFZSA-N 440.456 0.826 50 20 ICGD CNC(=O)COc1cccc(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 772221641 SUJBBRHCNHSFTD-UHFFFAOYSA-N 447.517 0.417 50 20 ICGD CN(CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 772623262 DLYIUMGDAHJXCP-UHFFFAOYSA-N 427.464 0.921 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 773422267 VVGXEMVBDWWNJN-GFISCPRKSA-N 446.504 0.588 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cc2)CC1 773696500 CCGLZKOPZFHGNX-UHFFFAOYSA-N 436.472 0.935 50 20 ICGD O=C(NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1csc(N2CCOCC2)n1 779488959 KANMYAQYIFZXMA-UONOGXRCSA-N 449.514 0.445 50 20 ICGD COCCCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 780697722 HHYJPDXHRDUZEC-AWEZNQCLSA-N 447.941 0.635 50 20 ICGD CNC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 781715835 FSNKKZAPVBOSHM-SFHVURJKSA-N 428.445 0.478 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 782894984 UIXFZKLHEDIXKF-UHFFFAOYSA-N 438.444 0.535 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 783409249 RACYJPXDWGKBTH-UHFFFAOYSA-N 448.427 0.820 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Br)c(F)cc1F 786414857 STVLPZNCEYVOSX-LURJTMIESA-N 440.222 0.248 50 20 ICGD O=C(NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 787428928 NXZQJKXXQRMNIU-GXTWGEPZSA-N 428.898 0.206 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)c2ccccc2c1=O 790474752 VOOSAQGHTQJMOS-QFIPXVFZSA-N 439.472 0.489 50 20 ICGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NNC(=O)c1cccc([N+](=O)[O-])c1 799672419 YWHPLAMKFJOWBE-UHFFFAOYSA-N 443.388 0.796 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802099939 FKNHVRCXAGWDNC-NSHDSACASA-N 431.430 0.807 50 20 ICGD O=C(NNC(=O)C1CC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 859362749 KHZYRDJKHVGYNG-UHFFFAOYSA-N 436.534 0.869 50 20 ICGD CN(C)N(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCS(=O)(=O)C1 860625138 KAWCVEQRQJKFIE-VIFPVBQESA-N 440.341 0.202 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912919591 PNVLQGNNTKCXBN-CALCHBBNSA-N 440.566 0.619 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCOC[C@H]2CCCO2)cc1 916208969 BKFRRIDWWWFZIP-MRXNPFEDSA-N 442.538 0.532 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 918570480 UYPLTKPDPWPIPF-UWKDKTGGSA-N 436.534 0.468 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)n1nnc(-c2ccccc2)n1 919690770 LJTWPSJMXAAQHW-KRWDZBQOSA-N 432.448 0.974 50 20 ICGD O=C(NNC(=O)c1ccnc(-n2cncn2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 919743095 BJLVCXIOIWNSIB-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)Cn2nc3n(c2=O)CCCCC3)cc1C 1251982669 LEGBIWITPWQNHW-UHFFFAOYSA-N 435.506 0.708 50 20 ICGD CCN(CCCNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1318668208 FWIZVSNYMWFDTD-UHFFFAOYSA-N 449.574 0.636 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2C1 1343627344 JCSYEQCBHLOKNG-CYBMUJFWSA-N 433.490 0.060 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781058707 CJHPBZOCGNELJP-DICRZQGBSA-N 427.929 0.471 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1781226487 ZGMQBESFFMYZAZ-KCXAZCMYSA-N 444.381 0.380 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1[N+](=O)[O-] 1781302111 FUXGSZSNCDTBFA-VQIMIIECSA-N 425.869 0.875 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335486 ZSBGRHFRUWSHIR-JOYOIKCWSA-N 434.184 0.185 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1 1783851578 DHIPIUOXXHBYHR-QAETUUGQSA-N 446.928 0.726 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4ccoc4C3)[C@H]2C1 1784235749 OWITVYAPRXGQSB-JPLJXNOCSA-N 446.548 0.737 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1784764471 KGDJAOHSZYUQRW-ULQDDVLXSA-N 433.509 0.057 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787013286 HMIYBWDTAOAXNN-VGWMRTNUSA-N 440.338 0.859 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1789868842 NFKHDYMXQKQWLZ-MNUAXYBXSA-N 446.331 0.518 50 20 ICGD O=C(NC1(c2ccc(NC(=O)c3ccnnc3O)cc2)CCC1)c1cccc(B(O)O)c1 1789969518 MDMIXOMNBNAHKV-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313126 RRZKCOGZGLFSQX-RCWTZXSCSA-N 444.248 0.428 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1792867624 DMCDBUWHVJGKES-ORXSELOVSA-N 429.271 0.122 50 20 ICGD CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792979947 PMHBPQGSDATOMM-FCGDIQPGSA-N 431.537 0.742 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc(F)c1 1798994598 VSRRWKMVMMASST-IVWMJMPLSA-N 445.426 0.480 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccccc2C1 1800678990 OJSYXPLZJXYABN-QXUYBEEESA-N 448.328 0.375 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)C2 1800981810 SDGDSRCXARIDBX-NEXGVSGLSA-N 428.913 0.585 50 20 ICGD C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801172834 XWYRNMJUJPKJBW-IBHRTIHJSA-N 436.317 0.448 50 20 ICGD C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802125286 RYZQZENMRQFPPK-YIDVYQOGSA-N 443.928 0.092 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cnn1C 1805925351 VPNGJNSFLHDYLW-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@@H]1c1cccnc1 1813179404 VNJIKLBOPPQHKI-MLGOLLRUSA-N 425.272 0.816 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)C(F)(F)Cl)[C@H]1c1cccnc1 1813211511 KJWOVUBUEAXLJZ-GDBMZVCRSA-N 437.639 0.913 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C(=O)O 1814095065 PXWDZSUUYMGTOC-PBRLVZIUSA-N 437.261 0.112 50 20 ICGD O=C(CC1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339358 AIIGGIXYFLLQQI-MRXNPFEDSA-N 443.334 0.865 50 20 ICGD Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)on1 1815350317 QDJITMRGJNGMEA-AWEZNQCLSA-N 440.290 0.588 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccn(C)n2)n[nH]1 1817566038 WQVPJOHHKMVONN-INIZCTEOSA-N 430.513 0.751 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822589938 QYAINGSXPNIUOI-WBVHZDCISA-N 442.350 0.533 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826081417 QSNCKNDAMMTGDN-WSROAFLRSA-N 448.549 0.287 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1827698387 ZZIPTNDQUXBPGT-APWZRJJASA-N 437.585 0.846 50 20 ICGD O=C(c1cnn2cccc(F)c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736864 XCQMVIZPXBYVDH-DNVCBOLYSA-N 440.859 0.143 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)c3ccco3)CC2)CC1 1833089780 KROSEHAOJJXTKK-OAQYLSRUSA-N 449.552 0.258 50 20 ICGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c2c1CCC2 1833310224 MGLCXZSQEMBLHW-GOSISDBHSA-N 437.972 0.694 50 20 ICGD O=C(c1cc(=O)cco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834605964 DSVCAPFHMOPHBK-CJNGLKHVSA-N 433.230 0.400 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)CC1 1835738104 DMEWGVBWZOTXOD-WMZOPIPTSA-N 432.500 0.228 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717296 SOJXIVSQZJVLPJ-ZDUSSCGKSA-N 444.834 0.690 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1837711612 LSLBSOIZNTVOOG-UYAOXDASSA-N 436.585 0.389 50 20 ICGD CN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1839197464 XJERKWBOUOEQMF-WMLDXEAASA-N 436.322 0.475 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031839 DNWMOIZZYAXZCX-MEDUHNTESA-N 431.287 0.160 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1840151151 WUVLQXDSWMZQNF-BEFAXECRSA-N 427.885 0.414 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@H](C)CBr)C3)CC1 1843972370 HAXHCMXFIQUCKK-CQSZACIVSA-N 429.359 0.385 50 20 ICGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CSCSC1 1844317348 AMFHCWVRFLZTBF-AWEZNQCLSA-N 435.380 0.226 50 20 ICGD COCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1848099017 CYMGYXRQNZSISB-KKUMJFAQSA-N 433.933 0.983 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 21199787 TVNFKIDQBDUNFG-QFIPXVFZSA-N 432.440 0.797 50 20 ICGD CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C 33655315 YEBVKFGALDEYMC-DHDCSXOGSA-N 427.461 0.828 50 20 ICGD CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 36185512 FAUAKNNSADXFSB-UHFFFAOYSA-N 446.467 0.624 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1 105153688 UWFIKHRZGULQCS-UHFFFAOYSA-N 432.505 0.671 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)c2cccc(Cl)c2)C1 726185726 WWYPLNUNLIKWRT-HNNXBMFYSA-N 438.912 0.835 50 20 ICGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 730577198 PAMNQAFCWFWWJN-CQSZACIVSA-N 445.519 0.105 50 20 ICGD Cc1nc(O)nc(O)c1CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621451 SBQRZFIDZGSGIN-UHFFFAOYSA-N 437.478 0.293 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1OC 745882651 JIXUXYLTELUTNJ-CQSZACIVSA-N 430.465 0.967 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746591120 KFKGZJNFUAUFKP-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)cc1 748247389 ZJXCASFWFIZNMW-UHFFFAOYSA-N 446.485 0.879 50 20 ICGD COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 751169488 GHSASFQXVSNPBT-UHFFFAOYSA-N 435.414 0.943 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755564793 WPZDSQHOKCJUOQ-UHFFFAOYSA-N 430.538 0.594 50 20 ICGD CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 756165540 YLZNOQBAAWHFGB-UHFFFAOYSA-N 448.501 0.796 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cncc(I)c1 757649512 IQGNIWKAAZATBE-UHFFFAOYSA-N 425.186 0.272 50 20 ICGD CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758051197 FUPNHRSYCDQMQR-FZMZJTMJSA-N 432.930 0.570 50 20 ICGD O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(S(=O)(=O)CBr)CC1 758514107 ZZSHGFGPHFLOBG-UHFFFAOYSA-N 433.328 0.691 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 763194017 TVDYHFBSXXKFHE-UHFFFAOYSA-N 447.473 0.105 50 20 ICGD O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 763467711 WGFWBPOBGPZAFW-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763647214 OTMBYOJXMOUSEU-UHFFFAOYSA-N 444.444 0.327 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 763920167 GVUJGMLAJNTWFZ-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 764024077 AJZQPTOSRSZMBS-UHFFFAOYSA-N 445.501 0.347 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)ccn1 764106553 MSOYYJMXJCDUGN-UHFFFAOYSA-N 437.416 0.665 50 20 ICGD Cc1nnc(Sc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c(C)c2)s1 764424331 IHLRSLFFZSGSOA-ZDUSSCGKSA-N 437.503 0.807 50 20 ICGD Cn1ccc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 765119993 YBOFKSLZQYWSKL-UHFFFAOYSA-N 426.930 0.201 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(C2CCCCC2)C1=O 765632778 HDHZLNJEBHTDCK-CQSZACIVSA-N 436.538 0.857 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3cnc4ccccc4n3)n[nH]c2n1 765996197 SHPQXHYIVPPVBM-UHFFFAOYSA-N 439.509 0.983 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccc3ccccc3c2)n(C)c1=O 766637029 RODKMVIPNKIYTA-UHFFFAOYSA-N 448.483 0.712 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl 769831123 CPRLWTJRLQNDNV-UHFFFAOYSA-N 436.922 0.966 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCCS2(=O)=O)c1 771846076 NFOSOQUWVCJWRL-HNNXBMFYSA-N 431.536 0.445 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 772066164 GVXDQOGBEAMDMR-OAHLLOKOSA-N 439.534 0.656 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 775095056 MIQCXYUXPAMUEL-UHFFFAOYSA-N 449.489 0.255 50 20 ICGD COc1cccc(OC)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 775252160 PPDYLUZMXRZSEP-UHFFFAOYSA-N 449.894 0.628 50 20 ICGD CN(NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201256 HRJDAMAMKPLSRF-UHFFFAOYSA-N 446.508 0.976 50 20 ICGD O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 780908740 VTMZXYOTPCMGHN-INIZCTEOSA-N 440.522 0.611 50 20 ICGD Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782965675 IVHRGALJNMULQO-UHFFFAOYSA-N 426.477 0.843 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1Cl 783425667 JERIGTNPYCCQQP-QGZVFWFLSA-N 432.930 0.417 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1 784843729 OYMMKJBYRFDHQL-LBPRGKRZSA-N 437.478 0.485 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787543764 NHRAPLBLAFZJBG-LBPRGKRZSA-N 426.495 0.612 50 20 ICGD Cc1csc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1I 787995403 IGOBYGDGIOQFQA-LURJTMIESA-N 431.277 0.360 50 20 ICGD CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 809973454 ZKZYALNIMWWJCN-SOUVJXGZSA-N 429.539 0.852 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052431 AWFKHRQVAJVYQY-AWEZNQCLSA-N 444.510 0.836 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 915190569 IDSCJBMYXSFMPH-UHFFFAOYSA-N 449.514 0.690 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2c(C)cc(C)nc2O)cc1 916216678 PKHRIBLPMFGTTR-UHFFFAOYSA-N 435.506 0.864 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(Cn3cncn3)cc2)c1 916227596 HCGWNRQWIBLMBH-UHFFFAOYSA-N 428.474 0.874 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCc2nnc3n2CCCCC3)nc1 916235481 XZVWXUQFGOAOOP-UHFFFAOYSA-N 436.542 0.955 50 20 ICGD O=C(NCC(=O)N1CCCCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916473276 KMOYSPBSQPUWML-UHFFFAOYSA-N 437.522 0.428 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3O)CC2)cc1 916736920 ZLUYDVXJYURVAW-UHFFFAOYSA-N 432.502 0.468 50 20 ICGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 919879195 JVVGBPQPKKYFSZ-VIFPVBQESA-N 435.300 0.480 50 20 ICGD Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889722 RXTKFHNYNGGMGP-CQSZACIVSA-N 444.517 0.949 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC 1317707614 RWFUNBUXBYRQPB-NRFANRHFSA-N 426.429 0.932 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O 1317871839 UDBCKFOTEXEVHA-UHFFFAOYSA-N 438.444 0.775 50 20 ICGD O=C(NNC(=O)N1CCC(N2CCCCC2=O)CC1)C1CCN(c2ncccn2)CC1 1319186828 NBXPBSHYVNABRB-UHFFFAOYSA-N 429.525 0.911 50 20 ICGD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1781326754 STWMBFBDPRTVAM-WMLDXEAASA-N 443.273 0.332 50 20 ICGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)n1 1781330207 TWHDAXKGWXSGHI-XJKSGUPXSA-N 433.278 0.664 50 20 ICGD CCn1nc(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782211956 JISXCNDYHRHKAK-XMSQKQJNSA-N 448.568 0.712 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ncc[nH]2)C1 1782413081 LOQMFALXNPXJJQ-IIBYNOLFSA-N 434.541 0.229 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CN(C)C2)C1 1782746329 ATTUAINGTLBFNS-UYVYXKLWSA-N 444.536 0.196 50 20 ICGD N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1 1783603733 SRQJARQNOAAXEP-BVSLBCMMSA-N 447.300 0.074 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1783870204 VYUOANBPCHAIDB-APWZRJJASA-N 444.937 0.787 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1cccs1 1784085792 PHSFTJWFOTURIG-XUXIUFHCSA-N 429.926 0.057 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784285122 ZVRAJKDWOASCIY-UZUQRXQVSA-N 437.305 0.084 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785697275 OBVZWXNFJQOQAF-VQTJNVASSA-N 428.480 0.935 50 20 ICGD CO[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccccc1 1786468064 KIESDPZYUDXLMY-ZVVDCOBXSA-N 446.548 0.727 50 20 ICGD CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980079 GVOJPJDDOIKQBB-XIRDDKMYSA-N 438.280 0.641 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792241976 NVBVMFAPYGYTNC-CYDGBPFRSA-N 449.982 0.080 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn(C)c1=O 1793785769 ZCYWCEGMUCOLOM-BDHJUDLHSA-N 438.488 0.771 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614555 SOBUKMABWBPEIY-RIILZEJGSA-N 428.327 0.584 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957532 VRIYNHOZBJYWJK-XOIINTDNSA-N 429.590 0.952 50 20 ICGD CC(=O)O[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)C 1798274138 LEKWMYKIKMQIGT-BASYENTBSA-N 431.493 0.525 50 20 ICGD COc1c(C)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1799695116 ULKJQZREVSFQDP-RMFSNUHRSA-N 446.548 0.888 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)[C@H]1c1cccnc1)[C@H](O)CCl 1803146945 RSHYYNLVFAMTQD-SCRDCRAPSA-N 436.818 0.366 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804086844 BUJANNSOVXMIHU-YOEHRIQHSA-N 435.912 0.904 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1805382829 IKHIEQGHWPUKHR-ZDUSSCGKSA-N 443.342 0.800 50 20 ICGD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807092244 BFUJHNSYMCFQQN-WIYYLYMNSA-N 438.337 0.469 50 20 ICGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1807117044 CFBXJAVOVLOOCH-NWANDNLSSA-N 441.305 0.618 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)[nH]1 1807362802 MEUQVRGHTSLYKY-YLJYHZDGSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)[C@H](F)Cl 1808310419 RNHDNVPKKHSNLY-GDLCADMTSA-N 434.819 0.062 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067625 AXUZGNBZJLXWLX-YLJYHZDGSA-N 446.552 0.375 50 20 ICGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Br)CC2)C(=O)O 1815082331 WFKFZYVRQCBXPO-QXHCQDJKSA-N 437.291 0.808 50 20 ICGD CC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350229 LDHPKZORRJBTQQ-AWEZNQCLSA-N 429.307 0.664 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cccn2)n[nH]1 1817626309 NMNJXTBOEWPRJX-MRXNPFEDSA-N 437.464 0.611 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3CCC=CO3)sc2C1)c1cccc(B(O)O)c1 1819731093 NFBKIMGNOQEROF-GOEBONIOSA-N 427.291 0.741 50 20 ICGD Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)co1 1819795919 VUPDGOAFWLZTIP-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)c1ccco1)CC2 1826081066 NXZDOBYYAUVISC-GTNSWQLSSA-N 435.506 0.755 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)c1 1826117766 MRZUXRKUBLHSKE-LJQANCHMSA-N 439.520 0.966 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCCOC3)sc2C1)c1cccc(B(O)O)c1 1828184823 MUMRUZPHNHLUBT-DZGCQCFKSA-N 429.307 0.475 50 20 ICGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(C)(C)C 1831094254 QDZVROICPATQSW-FZKQIMNGSA-N 438.352 0.797 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832370175 FCYVOXBRGPOUSQ-KUHUBIRLSA-N 428.917 0.459 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1832559409 PSKRLFRQQMZRAY-NVXWUHKLSA-N 448.289 0.981 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833201986 XMMZNSFAVXSGKJ-KEYYUXOJSA-N 447.305 0.666 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672933 PSKRBTYDYLAXHB-KRWDZBQOSA-N 441.649 0.002 50 20 ICGD Cc1nc[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919325 GSADSHLNAHBMNC-UHFFFAOYSA-N 440.309 0.324 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1838098239 OWEIUSUNKBVMMQ-PXAZEXFGSA-N 427.299 0.638 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839144793 KUKHJAZDPCUFPQ-OXRQTFEDSA-N 446.957 0.263 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200435 KSTDYECHRGLCHL-RHSMWYFYSA-N 445.289 0.590 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839780134 AGCPIABIASPMGP-DAYGRLMNSA-N 436.958 0.428 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1840036983 XGBASICEOIRTKW-HNAYVOBHSA-N 446.386 0.958 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1840151749 MXUMMHWOAZNQBR-XLIONFOSSA-N 444.887 0.915 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840153489 PTXDXRFJEDLWTL-DYESRHJHSA-N 442.940 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1840156773 SXDJDVZIACHFKC-PXNSSMCTSA-N 427.929 0.979 50 20 ICGD N[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)c1cccnc1 1840187900 DERTUXUBOVPXDB-RDTXWAMCSA-N 431.320 0.732 50 20 ICGD COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415247 BWHNUBJSXWIYED-FYJGNVAPSA-N 435.506 0.230 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)o1 1844264499 YRQSCVIBAAVCQF-UHFFFAOYSA-N 426.433 0.367 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(Cl)c(O)cc2O)C1 1845286546 ZSNWGLVMLIVNPT-UHFFFAOYSA-N 430.653 0.562 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847832925 PBCMKYYLYZWCCU-SAJDGTNDSA-N 445.564 0.941 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2C1 24310192 NGDMYBGSUDUMAE-LLVKDONJSA-N 444.517 0.471 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726438302 UOLMMURYMRGNDP-UHFFFAOYSA-N 438.531 0.807 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)COc1ccccc1O 730779698 CTNFYBHLVZWZEG-UHFFFAOYSA-N 436.442 0.554 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 731761316 FGYZVSYZKZKFMK-UHFFFAOYSA-N 428.580 0.927 50 20 ICGD O=C(COC(=O)Cc1csc(-c2nc[nH]n2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 732341955 KEIZSUZMLRAMBZ-ZDUSSCGKSA-N 444.429 0.001 50 20 ICGD CN(CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 734252124 DKHIAQYVPMKJNP-ZDUSSCGKSA-N 432.568 0.325 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c2ccccc2c1=O 734283121 FZMFKZFBXBHMQP-HNNXBMFYSA-N 441.536 0.529 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 745861661 NXKRIOWBDYCBLG-DZGCQCFKSA-N 426.495 0.077 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOc2ncccc2F)cc1 747448934 BWRFMNCJJXZEQN-UHFFFAOYSA-N 439.469 0.559 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748610143 DBXUBHPMJYUHCJ-OJGWYHNPSA-N 443.428 0.677 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1OCC(=O)O 748691273 KSSDQAUWYQCBRT-UHFFFAOYSA-N 442.471 0.485 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1 753785812 NLEYSCFSKZNQBF-GOSISDBHSA-N 440.566 0.057 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 755366286 GZYRALKOVNYXOA-UHFFFAOYSA-N 444.473 0.650 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c1 758303138 USGJWISAMAZZMD-UHFFFAOYSA-N 432.462 0.829 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCc3cc(F)c(F)cc32)c2ccccc2c1=O 763790428 INDZNMSKSUAZQO-UHFFFAOYSA-N 427.367 0.562 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)n1 763892641 GNIVLQLLSLNYEO-IAGOWNOFSA-N 442.520 0.895 50 20 ICGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br 764084070 DIZJGBWXBGKBAU-UHFFFAOYSA-N 425.214 0.995 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)cc1S(N)(=O)=O 764117932 UYJBARZQEUGJID-UHFFFAOYSA-N 440.865 0.655 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 764229510 ATXIJCJVCWWVKM-GFCCVEGCSA-N 445.457 0.374 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 764230331 HGEBTRDRWBQIIE-VIFPVBQESA-N 439.519 0.199 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764240053 YQGGULANDBUWRE-UHFFFAOYSA-N 449.467 0.900 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 764459030 JYTLVLADAJSVAT-UHFFFAOYSA-N 447.473 0.638 50 20 ICGD CC(C)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 764815841 HXYZVNQDTHXWPD-UHFFFAOYSA-N 427.421 0.616 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n[nH]1 768273479 FFKDRIWBXUOLIA-UHFFFAOYSA-N 442.457 0.344 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)NCC3CCC3)nc21 770398081 ZOUCTZDVXBEMOT-UHFFFAOYSA-N 440.530 0.633 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772244597 JWLNCFMGYVGUTO-JTQLQIEISA-N 431.467 0.090 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)c1 779494895 AGIRRYRYBPEAKG-CABCVRRESA-N 435.483 0.555 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cn1 782893571 JMZYZXMSQWKKQM-UHFFFAOYSA-N 426.433 0.322 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)CCS(=O)(=O)C1 783425800 DLRQUDUQUFKEPC-HNNXBMFYSA-N 446.411 0.423 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1)C(=O)OC(C)(C)C 784000239 RQFUXPGCGJEVPX-UHFFFAOYSA-N 447.492 0.762 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 784003256 SGYDJAORTWKRFV-UHFFFAOYSA-N 427.461 0.084 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 785687436 UUFIILDHHDSHKP-UHFFFAOYSA-N 431.536 0.119 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 787541184 NIAYNGOXQSDUPT-UHFFFAOYSA-N 428.493 0.877 50 20 ICGD O=C(NNc1cccc(F)c1[N+](=O)[O-])C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 790997458 NYQPNDZKDFWBDA-UHFFFAOYSA-N 430.352 0.868 50 20 ICGD CC(=O)N[C@@](C)(C(=O)NNC(=O)COCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 797455131 JCJQJPWXVYYYLC-OAQYLSRUSA-N 447.513 0.806 50 20 ICGD O=C1COc2c(cc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 806972793 LVJQDCVGMWAYNG-AWEZNQCLSA-N 446.803 0.597 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccncc1OC[C@@H]1CCOC1 807615063 DDNWUBXJGZFLIJ-CYBMUJFWSA-N 433.490 0.819 50 20 ICGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc2cccnc12 812881825 ZKRSLBSHRFDVDJ-CQSZACIVSA-N 433.490 0.214 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)[C@@H]1C[C@H]1C 815593095 BJRXFFLGXBCOPY-MLGOLLRUSA-N 441.444 0.557 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNc3ccc(C)nn3)ccc21 815593177 DQNXUAQAVGBTNB-UHFFFAOYSA-N 448.386 0.868 50 20 ICGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNc1ccccc1 825130973 MPLUXBVTZHMGEQ-HNNXBMFYSA-N 434.474 0.514 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC 862090541 NPYHPDGIYNZHDG-UHFFFAOYSA-N 427.417 0.114 50 20 ICGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 884003903 SNMFHRRCEAKFAM-UHFFFAOYSA-N 428.448 0.468 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1Cl 912988635 OKZGZYOUDHQGNC-NSHDSACASA-N 440.865 0.390 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1OC 913081408 NNDVDOAWPUHTOA-HNNXBMFYSA-N 429.408 0.724 50 20 ICGD N#Cc1ccnc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)c1 913628118 WZGCRWHURLYYDL-UHFFFAOYSA-N 442.505 0.423 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 915188699 LEQJXGGCBIRPNY-JTQLQIEISA-N 449.327 0.279 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 915789170 VVTULAAVUQMGEV-CYBMUJFWSA-N 437.449 0.922 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)Cc3nc4ccccc4n3C)ccn2)CC1 916389710 CXRCKNDEADISHC-UHFFFAOYSA-N 436.520 0.793 50 20 ICGD COc1ccc2c(C)c(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1 919889580 OUWVBJHLUPGXQT-LBPRGKRZSA-N 437.474 0.560 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)c1 919954952 XQDVTEQEXPRQLH-CQSZACIVSA-N 445.450 0.347 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 920255214 VHDUJKIPRYJFSP-SFHVURJKSA-N 434.408 0.611 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1337259980 HATCZWAUBSPXSF-BEFAXECRSA-N 425.507 0.695 50 20 ICGD CN1CCN(Cc2cccc(CNC(=O)NNc3nc(O)c4cnn(C)c4n3)c2)CC1 1340696564 FMXVRTSXWUBQDI-UHFFFAOYSA-N 425.497 0.643 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380274 KBLGZBLRPDFOOJ-VBKZILBWSA-N 437.928 0.868 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](Br)CC)CCO2)C1 1778786593 ADAAEVUODNSODE-OZVIIMIRSA-N 436.303 0.054 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1779317572 NPRIERUCTCNCHY-HBUWYVDXSA-N 447.374 0.993 50 20 ICGD CC1=NN(c2ccc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2)C(=O)C1 1780794715 XSECPGLXLNGMGY-UTKZUKDTSA-N 448.907 0.842 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105157 BZIDSFYTSIKSIE-GPMSIDNRSA-N 445.402 0.626 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782098592 KWMCDNJZZJBBBD-CRAIPNDOSA-N 427.841 0.652 50 20 ICGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Br)CC)CCO2 1782646458 UKKUVBZYBMVDHJ-MLGOLLRUSA-N 435.388 0.474 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCOC2)C1 1782691073 QJHYMDKXROBASY-SFCNJFCTSA-N 445.520 0.671 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1C(F)F)CCO2 1783934952 NTPIHSGGKNFYMN-IBGZPJMESA-N 442.467 0.174 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc(C)c1O 1784994181 WPXXTAFXDDLCFT-QHCPKHFHSA-N 438.289 0.446 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785333433 PNZHWIINTKSXCD-UTKZUKDTSA-N 437.924 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436120 MAVCAWPPYJWYMW-KSYCFECVSA-N 449.891 0.669 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790748060 RSXXKSUCDUPKJI-VGWMRTNUSA-N 432.615 0.395 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H](F)Br 1799344336 INMOBTSVTCPWQG-FQPOAREZSA-N 434.222 0.071 50 20 ICGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1807047606 JQCCOINOZUEVSQ-VIRABCJISA-N 444.305 0.371 50 20 ICGD CN1CCC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)C1 1807563316 IYOUZFBMCWXHHZ-DXIQSLLYSA-N 444.580 0.802 50 20 ICGD CN1CCC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)C1 1809980174 NZHXNXJSJLRVED-IBGZPJMESA-N 427.354 0.553 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1812334129 WKJJZRKAAJMLPG-YQQAZPJKSA-N 441.985 0.825 50 20 ICGD Cc1c(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cnn1C 1813071624 VOBNSSKQPINVTD-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074112 PHOFPKWRMDKGIO-TXPKVOOTSA-N 439.944 0.714 50 20 ICGD CCn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817473142 IJJSBUDIQJPNNP-GOSISDBHSA-N 436.281 0.926 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055048 SJPATSFPEINWAG-ZLGUVYLKSA-N 429.370 0.973 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056336 XFKAIYYVONUOGV-OXQOHEQNSA-N 443.353 0.514 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829517654 HSJCECUJTWNFLZ-IBGZPJMESA-N 431.537 0.926 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830533429 NJGGKUWPEQMRHM-LBTNJELSSA-N 448.358 0.389 50 20 ICGD O=C(c1cc(-c2ccco2)no1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722596 FKPRWGNQIPQBCY-AUUYWEPGSA-N 439.852 0.604 50 20 ICGD Cc1ccncc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725588 KFNLRSWLUSDBQS-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD O=C(CCc1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738576 QCWQMYPVNVUXIF-FXAWDEMLSA-N 428.888 0.814 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831644210 RKVBKVYINJSNSV-MGPUTAFESA-N 440.928 0.864 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSC(=N)N)CC1 1831871471 RKVVFQPEJCROEE-MRXNPFEDSA-N 440.614 0.996 50 20 ICGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)cccc1=O 1833873344 VKFHFKQFPOLANG-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1834665814 ZAFIHCQBOJKTEG-UHFFFAOYSA-N 445.284 0.087 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835668652 XPMBHRCUUQXGQW-OAHLLOKOSA-N 425.965 0.909 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835997743 AHLRVQULNSPMOR-OALUTQOASA-N 446.331 0.541 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837394945 LYBULHRAOPBRPP-KDOFPFPSSA-N 433.343 0.801 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837501606 NHFCYUBREGPTLG-LESCRADOSA-N 436.958 0.302 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n(C)n1 1838043729 YXGJBKUBVQSNDP-FQEVSTJZSA-N 438.601 0.904 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839049769 VGDZXKZOVJBUMS-GOSISDBHSA-N 442.303 0.532 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839147809 CXYJCKDAPNMVDN-DNVCBOLYSA-N 426.901 0.753 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1839200392 JSFWSDIOXHKXOK-CJNGLKHVSA-N 434.262 0.998 50 20 ICGD O=C(C1CCC(O)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202455 GEAYQZLRRCFXGH-GROLMSMHSA-N 437.306 0.684 50 20 ICGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1ccccc1=O 1840188486 MQFDPJFKFXBFAT-FZKQIMNGSA-N 432.304 0.669 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@](C)(O)C(F)(F)F)C1 1841801604 FWQIVGOMWHBNTM-BRUSPLQXSA-N 429.399 0.637 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CO[Si](C)(C)C)C1 1844376946 CKILXCFYCMNTPG-CQSZACIVSA-N 429.590 0.927 50 20 ICGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc(C)c1C(=O)O 1845573103 YAGQRYLQJXBFEG-UHFFFAOYSA-N 436.273 0.812 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846363478 LNFZRQCJNICESB-ZDUSSCGKSA-N 426.926 0.349 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Br 1847512522 PDIONPGSPUGRPV-YFKTTZPYSA-N 438.294 0.764 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847776868 SADHLKRABYKZAT-MLNNCEHLSA-N 434.301 0.994 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 17190933 DIPGBQMOVISFDG-UHFFFAOYSA-N 443.485 0.789 50 20 ICGD Cc1c(C(=O)NNC(=O)N2CCOCC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726164257 OXVQQJXBHPQRHR-UHFFFAOYSA-N 437.501 0.845 50 20 ICGD COc1cc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1S(=O)(=O)C(F)F 728435381 ZOFPYQYUPDNIDR-VIFPVBQESA-N 427.451 0.469 50 20 ICGD O=C(O)c1cc2c(c(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c1)CCC2 728853834 CRLPARXLEMNATD-UHFFFAOYSA-N 445.501 0.890 50 20 ICGD Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274825 FCBWFFNUGVYTAF-SNVBAGLBSA-N 431.877 0.731 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 729513043 TWAMKGUCBDPGES-MRXNPFEDSA-N 447.459 0.627 50 20 ICGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)n1-c1nccs1 730569955 CUPUADOJTGMYBR-UHFFFAOYSA-N 433.519 0.585 50 20 ICGD CCc1cc(N2CCC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)ncn1 732914064 GLEHDJRZBHPNOP-MRXNPFEDSA-N 436.480 0.628 50 20 ICGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC2=O)cc1 734241294 ATAZBGRFCZPONT-OAHLLOKOSA-N 449.508 0.899 50 20 ICGD Cc1c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(Cl)cc1 742027351 SGGLQMWLFUFSHM-NSHDSACASA-N 432.911 0.578 50 20 ICGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 746096761 MDDPBCPESKNWJB-CYBMUJFWSA-N 442.436 0.535 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)C2)s1 748246981 HCOUEFMTAJYTFU-CYBMUJFWSA-N 428.536 0.227 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nc(-c3cnn(C)c3)oc2C)cc1 752400852 WDTVWKIWNORDOT-UHFFFAOYSA-N 446.489 0.774 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cccc(S(N)(=O)=O)c2C)c2ccccc2c1=O 753889735 RTQWEVHQCZGXSN-UHFFFAOYSA-N 429.458 0.447 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755358631 FTHCMYZDPCGIGU-GFCCVEGCSA-N 432.524 0.305 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CN2C(=O)CSC2=O)cc1 756299974 GYGKDCNTAVGZIO-LLVKDONJSA-N 426.476 0.469 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)Nc1ccccn1 758840519 JCKRUWBQKYRFKA-OAHLLOKOSA-N 427.436 0.788 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2Cc3cccc(O)c3C2)cc1 759485721 OESTXUOTZJSCHP-HNNXBMFYSA-N 432.502 0.819 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)C[C@H](O)CO)cc1 760015358 TXDRROGJXIXHMR-FVLHSZHDSA-N 427.461 0.153 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 763191857 BOEMGWLYYAKMNB-UHFFFAOYSA-N 445.501 0.373 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 763623395 KZXYIQYCUNOJPK-UHFFFAOYSA-N 437.250 0.621 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 763956463 OYHHPPBSGSJTHY-UHFFFAOYSA-N 426.429 0.226 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764004717 SBJDQTJFHACZIU-UHFFFAOYSA-N 443.412 0.799 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764136802 TZFYPDIOYCOZHE-UHFFFAOYSA-N 446.485 0.465 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c(OC)c(OC)c1 764181737 GHKNNEPYSVXFNH-UHFFFAOYSA-N 426.385 0.762 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cn2)C[C@@H](C)O1 764188110 MBZGUOZWMGHDPZ-OKILXGFUSA-N 434.497 0.185 50 20 ICGD CCOc1ccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 765561770 AXRKUOTUHDWNLM-UHFFFAOYSA-N 436.450 0.418 50 20 ICGD Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NNC(=O)Cc2ccccc2C)cc1 766900671 SOGODBNPYYOWPG-UHFFFAOYSA-N 432.546 0.904 50 20 ICGD O=C(COC(=O)c1cccc(C2OCCO2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 766917560 KPPMIIDZGXXHJY-KRWDZBQOSA-N 428.397 0.876 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 767992936 GDORSLVKSVKWNR-UHFFFAOYSA-N 445.505 0.562 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 768627873 IFCJFNLZVMOEIF-UHFFFAOYSA-N 430.508 0.444 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 775240149 CQTGAFVSHZMVEO-LBPRGKRZSA-N 435.462 0.615 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437309 YRTKISGNHDGJJK-UHFFFAOYSA-N 433.469 0.050 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)c1 779494898 AGIRRYRYBPEAKG-LSDHHAIUSA-N 435.483 0.555 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(OCC#N)c2)nc1 783264380 OKUQRCBFGIDGLY-UHFFFAOYSA-N 432.462 0.752 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CCS(=O)(=O)C1 783427804 QGLGUNSDJJPQFB-SFHVURJKSA-N 437.453 0.890 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC1CCCC1 788165396 BQRNMPKYBPQCKI-UHFFFAOYSA-N 439.538 0.518 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2CC1 790069234 VGWJSVCSZAYISI-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 792773683 IXMIABUWTUBOKJ-UHFFFAOYSA-N 429.520 0.199 50 20 ICGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 798346952 VQOCEHHZEQTYIW-OAHLLOKOSA-N 447.517 0.007 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 804958949 SZYGHAAOYWGAQO-CQSZACIVSA-N 445.509 0.546 50 20 ICGD CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 807135660 REVPTMDTHBJKLQ-UHFFFAOYSA-N 436.476 0.985 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 815692612 WAONMBCDPAMSPF-LLVKDONJSA-N 428.840 0.466 50 20 ICGD O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NNc2nc[nH]n2)cc1 816631722 BVCIQXQRDIJMOM-CYBMUJFWSA-N 428.478 0.984 50 20 ICGD Cc1ccc(NC(=S)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 913432134 IKZYNQFVUGJRLN-CQSZACIVSA-N 437.547 0.787 50 20 ICGD NC(=O)c1ccc(CSc2ncccc2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 917941575 YHQQNKNWXXFFMJ-AWEZNQCLSA-N 448.526 0.669 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 920826309 LAUFRBDNMBQTQB-UHFFFAOYSA-N 442.925 0.898 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 1321034763 FLGVNVUWIAZRST-GFCCVEGCSA-N 442.501 0.997 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC(OCC(N)=O)CC2)cc1Br 1340050153 ZUXFDGIXXSBPEK-UHFFFAOYSA-N 429.271 0.778 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2F)C1 1778383613 OKBHUINPORUOMA-DYESRHJHSA-N 435.500 0.721 50 20 ICGD O=C(c1ccc2nncn2c1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778595837 LJJGTLOFYSYRKB-BBRMVZONSA-N 426.246 0.863 50 20 ICGD O=C1Cc2cccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)c2N1 1781348661 AORFHKIKNQQFJV-GCKMJXCFSA-N 435.908 0.908 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Cn1cncn1)C2 1782175385 KYBOVKXRRINWGP-YKTARERQSA-N 427.933 0.682 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783532135 DOTKNZAZCNTYSZ-QAPCUYQASA-N 431.375 0.237 50 20 ICGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1783666888 NRNDEFKNQJTPCQ-APWZRJJASA-N 436.933 0.140 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](Cl)COC)C3)C2)ccn1 1783883221 WTIJICBWHPGXHU-QRWLVFNGSA-N 439.896 0.956 50 20 ICGD COc1ccc(OCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784083698 FZZYXYRAYJEEAR-MGHWNKPDSA-N 426.897 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ccncc3)[C@H]2C1 1785162542 UQBSDJVPMGSQTQ-SZMVWBNQSA-N 449.577 0.526 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785503658 NHUKBWHAHXKIOW-OKTWPBBRSA-N 426.853 0.246 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c[nH]1 1787699635 ZPYNUVOBOSEWEF-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccccc4n3)[C@H]2C1 1787841823 HAIMLTPWFMNNIC-BQFCYCMXSA-N 442.520 0.301 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1788766086 MZUPGFPTFGXEEJ-IHRRRGAJSA-N 427.603 0.728 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1790571782 GOSFVBWWPLHCQB-KKUMJFAQSA-N 430.647 0.302 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccnc3)C[C@@H]21 1791288599 KBDSQACRPZFCFW-RHICSNSISA-N 429.521 0.448 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)no1 1791298170 GLZLYJJPWVBDIZ-GVXVVHGQSA-N 433.292 0.496 50 20 ICGD CN(C)c1cccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1793856310 HMLNZVXAZDUTLS-CSHUHZATSA-N 425.913 0.321 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192009 AJBSFTJZLJAWMX-NKGKWGDASA-N 445.325 0.531 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796306285 XGNXDWAMRDADGM-TUBUOCAGSA-N 435.319 0.293 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)C1(O)CCC1)C2 1796439889 MYRGUQYGJDPVDR-CJQVZLAJSA-N 445.520 0.261 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446061 LDIKUVBPTFQJNE-NHYCVNRCSA-N 431.493 0.325 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)N1CCN(C)CC1 1799186566 KIDOUOQLXUIQHK-BMFAXAFESA-N 426.634 0.063 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnnc1 1805487066 RLYXJAXGNDOUHT-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1cncn1 1809980510 UKKYWVLDQVMDPU-MRXNPFEDSA-N 425.298 0.064 50 20 ICGD Cn1nccc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810297303 BKUHZZSGUVPJCP-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1811536195 RCLKNWYPVXQKNC-NQIIRXRSSA-N 443.272 0.595 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@@H]1c1cccnc1 1813072326 AQRHTCHVNWTOCY-HTAPYJJXSA-N 441.536 0.816 50 20 ICGD CCOCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1813537603 SCHALBJGJQMIIY-OXJNMPFZSA-N 440.504 0.826 50 20 ICGD CCc1oncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339972 YDPGSWNUXJHBMN-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815343921 XMVGZRQZLMDAEZ-CQSZACIVSA-N 435.274 0.562 50 20 ICGD O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723905 UAMFOCHYOSDAEB-MGPUTAFESA-N 440.880 0.014 50 20 ICGD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830738599 QKDSEFURZKTSIM-VQIMIIECSA-N 430.860 0.504 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CSc3ncccn3)CC2)CC1)[C@H](O)CCl 1833310852 VXKZLWAWRNYJIY-MRXNPFEDSA-N 441.985 0.740 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1833535211 RKGHALOAKIWVCA-QGZVFWFLSA-N 438.956 0.891 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CC1)CCO2 1834622280 BKLHQRGDRSGWQZ-CPOKCXMASA-N 431.493 0.377 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834630755 SHXRHWACWVNDIT-ZDUSSCGKSA-N 431.375 0.677 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835760117 XNMPLIOVCGQVJL-IBGZPJMESA-N 445.004 0.474 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837701077 BNJBRECFAPLRBW-FSPWUOQZSA-N 436.336 0.370 50 20 ICGD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(F)(F)F 1837710350 XDONPLXGZQIEON-JKSUJKDBSA-N 442.507 0.608 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838009835 VWUGDACOARQXSB-PXNSSMCTSA-N 449.895 0.141 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198381 YUGAYWCCBDEUCY-YPMHNXCESA-N 446.111 0.918 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839199096 JBQVZGQWFVKMOX-GDBMZVCRSA-N 433.278 0.338 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839967459 MZYFZXDKNYBANO-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840105614 HKEDVXRPNNUIQM-HXUWFJFHSA-N 441.601 0.307 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840186985 YERWGGCDWJADCC-SFHVURJKSA-N 445.303 0.914 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840431676 OJNLGVGOTZQOEQ-YLJYHZDGSA-N 438.601 0.827 50 20 ICGD Cc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1840705947 GDCZSLNRVVHKLB-LPHOPBHVSA-N 432.851 0.943 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842947489 HNZCXAVMDHPDII-LEHPZIBWSA-N 431.443 0.668 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Cn2cncn2)C1 1844347179 QSJUHVXNOBNSKM-CXQBGCSHSA-N 426.481 0.252 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc(OC)c1OC 16494856 WOJQMCYCIMKAHC-UHFFFAOYSA-N 428.401 0.990 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OC 28959765 NRWXKOCYSZUVDW-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 107918085 WGWUDTCWGWLTPN-UHFFFAOYSA-N 449.514 0.227 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 109871304 MKQGKJQDSRYFIB-LJQANCHMSA-N 427.549 0.995 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)N2CCOCC2)c1 727870082 ZXTQZJPDQBXPQK-SFHVURJKSA-N 431.470 0.472 50 20 ICGD Cc1ccc(-n2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nn2)cc1 728328546 WNKCKKCJXXDGLU-GOSISDBHSA-N 437.412 0.720 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OCCO 728328587 WFTGJZNVARFXHN-GOSISDBHSA-N 446.412 0.211 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2cc(Br)cn2)n1 728732356 KUGOXUILUHXPBL-UHFFFAOYSA-N 430.284 0.734 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)NC1=O 729298248 YMKOPRKVPBKABH-NSHDSACASA-N 432.458 0.731 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 729691296 OHVZNIFKAWSCHV-UHFFFAOYSA-N 427.490 0.330 50 20 ICGD CCc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc(Cl)c1 731472622 HEXXSASHIJUPON-LLVKDONJSA-N 426.886 0.614 50 20 ICGD COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)cc1 731849290 YYFTVNPTWPARHZ-OAHLLOKOSA-N 426.539 0.584 50 20 ICGD Cc1cccc(-c2nnc(S)n2CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 747365218 ICFBFVFYQHUQQP-ZDUSSCGKSA-N 438.535 0.450 50 20 ICGD NS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 747980040 POVGMXVCWIRGTL-GOSISDBHSA-N 431.518 0.232 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C 747992235 NVRRJLZYXZNZMP-PUMYGXPMSA-N 437.566 0.652 50 20 ICGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748360465 PQHNNSRQRRHBTK-FUHWJXTLSA-N 440.456 0.698 50 20 ICGD CC(=O)NCCCCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748621012 WNUYGVASLIOQNQ-UHFFFAOYSA-N 425.555 0.762 50 20 ICGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 751206859 VYDHWANYLGMDTP-CQSZACIVSA-N 431.453 0.543 50 20 ICGD CN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)CNC(=O)c4ccco4)ccc1c23 753778901 QSRFTOZWAXKMMK-UHFFFAOYSA-N 428.426 0.762 50 20 ICGD O=C1Nc2c(F)cccc2C1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753956229 VXCKFAJXGGPPOJ-UHFFFAOYSA-N 432.433 0.933 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)nc21 755316947 MTBYURDSLVUCSG-LLVKDONJSA-N 434.457 0.028 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755846296 JTPWDKKBTOZFNE-SNVBAGLBSA-N 430.396 0.392 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)n1 756707886 YBKCTUSLWYBCKS-UHFFFAOYSA-N 431.478 0.942 50 20 ICGD C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 758803588 MGNJKTDFDZDZQA-INIZCTEOSA-N 425.493 0.561 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 763500283 QXXMMIDNSFPYMT-UHFFFAOYSA-N 446.847 0.571 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 763500720 ZAXMUFXPFJWJKP-UHFFFAOYSA-N 445.505 0.553 50 20 ICGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763529033 IDFMYSSCVLOYNM-LBPRGKRZSA-N 434.474 0.869 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763578895 RGXUYAVILUQBGX-QGZVFWFLSA-N 442.428 0.127 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1Cl 763663888 ZMQHMEZVIWZNTH-UHFFFAOYSA-N 434.836 0.873 50 20 ICGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718403 KZTWTACWAFQBKO-UHFFFAOYSA-N 434.474 0.654 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763918482 DXCGOUZIVDGYDM-UHFFFAOYSA-N 430.392 0.057 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1S(=O)(=O)NC1CC1 763962095 LFOPVWHAUUSQEE-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2I)n[nH]1 764107113 ZQXKFPAYSFPRAG-UHFFFAOYSA-N 431.165 0.862 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COCc2ccccc2)c2ccccc2O1 764363880 VWZAAUODOCNALQ-QGZVFWFLSA-N 427.413 0.318 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764367203 JXNCNTXHBDTWLE-UHFFFAOYSA-N 439.428 0.041 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)o1 764371426 OHYUQDRFDRSEGW-CQSZACIVSA-N 435.458 0.940 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 764393073 NQJDJSXJHDFZAR-UHFFFAOYSA-N 437.499 0.977 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2csc(-c3ccsc3)n2)n(C)c1=O 764815787 GMBMZPVGGLJVRG-UHFFFAOYSA-N 429.487 0.769 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)C[C@H]1CCCCO1 765119028 KTNKUOMFUXXNIM-GOSISDBHSA-N 444.985 0.977 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CC2)cc1 766647207 BDEGLSYLOWZTCN-NRFANRHFSA-N 441.576 0.909 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 767242792 ZRXAHXDIJLFAAI-UHFFFAOYSA-N 449.441 0.854 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)n[nH]2)c1 768270051 SVDXTRGPGFYLFG-UHFFFAOYSA-N 449.471 0.657 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 771916236 LUVSOTSKZIUSPC-GXTWGEPZSA-N 436.490 0.479 50 20 ICGD O=C(Cn1cccc(C(F)(F)F)c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772188418 OIKBJRCTLFPAGW-UHFFFAOYSA-N 430.770 0.984 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 772636680 UXYZKOWDJHXVDW-UHFFFAOYSA-N 435.448 0.963 50 20 ICGD O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 774826033 GZMUNDZDFLPTFS-UHFFFAOYSA-N 440.368 0.866 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 775230640 DEJCDEIVEUOZKL-LBPRGKRZSA-N 425.536 0.400 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H]1OC 776531616 NAMJCTSKYDPMBL-UXLLHSPISA-N 428.511 0.138 50 20 ICGD O=C(NNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccc(-n2cnnn2)cc1 777412001 LFUISSYGTDQXJM-LLVKDONJSA-N 426.359 0.017 50 20 ICGD COc1cccc(NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)n1 781025454 QLDOOBLPCVAPOG-AWEZNQCLSA-N 436.490 0.775 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2OCCO3)nc1 783265930 ZZOSYXSRZIJKQJ-UHFFFAOYSA-N 435.462 0.621 50 20 ICGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002970 YPMAXOGQARTQTF-YFHOEESVSA-N 428.401 0.372 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)NCCC#N)N(S(C)(=O)=O)CC2 787359196 ZSXTXZVNBKWVIW-AWEZNQCLSA-N 439.494 0.197 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCC1 787533511 LVWXMAQZKBPQMU-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(C)(C)O)CC2)cc1 787947448 OLYOVSPUXQKGJG-UHFFFAOYSA-N 441.506 0.182 50 20 ICGD O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)c1cccc(S(=O)(=O)N2CCCC2)c1 790104754 UKXWNXDDMGOZCH-GOSISDBHSA-N 443.485 0.820 50 20 ICGD C[C@@H]1OCC[C@@]12CN(C(=O)NNC(=O)c1csc(N3CCOCC3)n1)C[C@@H](C)O2 790496969 QNPNRTXIEGWXLH-FHSNZYRGSA-N 425.511 0.602 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2nc3ccccn3n2)c1 791260206 JLEYLNXYVJXOTP-UHFFFAOYSA-N 445.505 0.573 50 20 ICGD CNC(=O)COc1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797624177 FDJXHVDUIZJQHN-UHFFFAOYSA-N 429.433 0.891 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc3c2nnn3C)c1 801082060 JKWHGLRWEWXWBS-UHFFFAOYSA-N 431.478 0.469 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(C(=O)N2CCCCC2)cc1OC 815778453 RSMNAUSOVSQUMS-OAHLLOKOSA-N 448.476 0.595 50 20 ICGD O=C(NCc1nnc2ccc(C(F)(F)F)cn12)NNC(=O)c1ccc(-n2cnnn2)cc1 916222943 QGYBQDGWXZDCLB-UHFFFAOYSA-N 446.353 0.868 50 20 ICGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 916377067 MWQYKTMSXVUHKA-QGZVFWFLSA-N 443.382 0.976 50 20 ICGD CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 919879746 CQSSCQJSJAWFKC-UHFFFAOYSA-N 431.518 0.767 50 20 ICGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920858772 AAAIHTZETZGLDC-CYBMUJFWSA-N 425.467 0.736 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccoc1C1(O)CCOCC1 1339792612 CFSORGKOPXBPKA-UHFFFAOYSA-N 436.490 0.954 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780061701 STXFTNVEFIGFAU-HXUWFJFHSA-N 445.552 0.385 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1780372348 LMMWMLKIEKZGJH-NRFANRHFSA-N 442.476 0.554 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCCN2C)C1 1780594863 UKJHVWBUQNPJAX-NJNPRVFISA-N 437.585 0.358 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1783882168 WBMIGGHJFJARDW-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938385 WXZQVIZHDSAVTO-KKSFZXQISA-N 433.509 0.052 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(C)c1 1784095384 DKPFBKMOYLCZIA-DKIMLUQUSA-N 438.908 0.975 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CNc2ccccc21 1786876331 WPAYUFHHFJUKNF-SZFLOTBDSA-N 449.316 0.169 50 20 ICGD Cc1nscc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984429 GEVDYADJMRVRAH-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD CCN(CC)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790604396 HBQQZHHPXPVXOF-XWSJACJDSA-N 439.601 0.317 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC=CCC1 1791775135 NZAUYMSHRIUCFK-UDSSINMLSA-N 426.322 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3sccn3c1)C2)c1ccc(B(O)O)cc1 1795734426 HUHRSHMPOZFSLT-HGKCTWBKSA-N 439.302 0.198 50 20 ICGD Cc1cccc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)n[nH]c12 1795735930 KJUBMWGDPSOZIH-CWPLJXCYSA-N 448.288 0.068 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(O)cc1)C2 1798439042 ALLGTMJQQJPCST-QDMKHBRRSA-N 439.472 0.722 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1800334140 BTNCOZABCAXFBS-OKPIYLLQSA-N 444.438 0.597 50 20 ICGD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2 1800753337 HAFYGXPXADBZSU-FMPTWSOUSA-N 425.323 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1800976818 JHWNPKNPCSZIOY-ZMJPVWNMSA-N 433.839 0.700 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803135500 DFJKQSIWJNQEFI-YSVLISHTSA-N 436.856 0.492 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803135907 KGWQFAUTOAIEMW-OJLVUWQFSA-N 446.957 0.015 50 20 ICGD O=C(CN1CCSCC1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1804817276 JTWFOBQZQVVACW-UHFFFAOYSA-N 445.394 0.260 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccccn1 1805439865 DKRUYZHACZYNIK-GHTZIAJQSA-N 430.273 0.790 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1805729824 SRJBHRNOUWHFQR-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1806769128 QQBMBNMPDFVACB-YUTCNCBUSA-N 436.303 0.823 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369460 KMAYYIJUMVGQFF-XLIONFOSSA-N 431.261 0.185 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807583918 BSYKHXWXRSUUHL-RLFYNMQTSA-N 434.880 0.710 50 20 ICGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1807806619 VXBTXXXAUQIORR-DNVCBOLYSA-N 428.497 0.201 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298468 IOLCKSVYIZULED-QAPCUYQASA-N 448.487 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1810953247 IBQKUCADBVMNRZ-KBXCAEBGSA-N 429.481 0.203 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1812914473 VIYSKHVUILKVBP-HRAATJIYSA-N 440.504 0.875 50 20 ICGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cncn1 1813073156 HWIVJJIONINVCV-OXFYSEKESA-N 442.524 0.313 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474505 DVTPIBGVWVRNEX-ZBFHGGJFSA-N 434.689 0.649 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cn1 1817475332 NXPXYUIGTMCHRA-SFHVURJKSA-N 436.281 0.372 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617222 IKZCZPHBJDHKSC-KLBPJQLPSA-N 431.356 0.951 50 20 ICGD CCNC(=S)NCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](Cl)COC)sc2C1 1826004131 CZSZOZDRCGJESX-UWVGGRQHSA-N 433.987 0.793 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826008800 HQCZMOPDVWQNGL-NXEZZACHSA-N 426.882 0.234 50 20 ICGD Cc1cc(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)nn1C 1826083069 JJZJLNAQKAHSCW-CYBMUJFWSA-N 447.565 0.713 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829563866 OMRCQYQACRCEGP-KBXCAEBGSA-N 448.303 0.764 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829717338 ALRPNDPGHXVILN-KRWDZBQOSA-N 432.525 0.376 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1830537637 LQOYUSYWLASLNZ-CXAGYDPISA-N 427.299 0.578 50 20 ICGD O=C(/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccs1 1830727886 JPZQIOXVTKPOCT-AABORUILSA-N 442.921 0.543 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)c3ccco3)CC2)CC1 1833089779 KROSEHAOJJXTKK-NRFANRHFSA-N 449.552 0.258 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n(C)n1 1834158706 QZQUSIJSGVXASS-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413711 KZDIOSKTXGFVHA-KBXCAEBGSA-N 446.342 0.239 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1835930750 YHOJCRTYGPAYRF-NRFANRHFSA-N 448.300 0.109 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836920234 YWQBPBGFKZUNFF-HZPDHXFCSA-N 442.944 0.991 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n(C)n1 1837710386 YJYPFXDNSAGEMZ-IBGZPJMESA-N 440.573 0.350 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccc1O 1838972532 HKARHISPEGEZLP-BEFAXECRSA-N 428.869 0.071 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839389968 QHIRRMGOVLRQIV-NDBSJYDGSA-N 443.859 0.747 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840030578 PPABBFYJOXFMIG-KDOFPFPSSA-N 443.342 0.511 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)on1 1840031021 DCZFDPNTNXXEHP-CXAGYDPISA-N 430.299 0.765 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1840152170 ZZHFUGLKSCZWRK-RDTXWAMCSA-N 430.910 0.884 50 20 ICGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823674 FBDGSJVDUDHDAE-LBPRGKRZSA-N 441.282 0.991 50 20 ICGD COc1ccc(COCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1846452622 ZZCQKWSFWHIXJS-UHFFFAOYSA-N 438.289 0.409 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C(=O)O 1848099604 OXDWTVGGCBFCHA-RFGFWPKPSA-N 446.932 0.383 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16785988 HFKQPUAYKMJMCW-OAHLLOKOSA-N 441.465 0.679 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 729275072 KGROMPVXCVSCEB-GFCCVEGCSA-N 446.485 0.301 50 20 ICGD COC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 730130795 PVBQHZNYBMNTSE-UHFFFAOYSA-N 426.495 0.613 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 730781587 TUYXXQMXTFLUIL-ZDUSSCGKSA-N 427.413 0.743 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)cc1OC 735494349 CHHHJIMTWVCHTK-UHFFFAOYSA-N 441.488 0.386 50 20 ICGD O=C(CN1CCN(Cc2cccc(F)c2)C(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 741798577 FURFPSHVLUNDSV-UHFFFAOYSA-N 429.408 0.839 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742473397 DFOJAPZQMUFRJP-GFCCVEGCSA-N 446.485 0.982 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 744460751 MGVQHUHMPYWDFN-AWEZNQCLSA-N 444.469 0.538 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 745110204 TVJUPQVFKSQTLU-CQSZACIVSA-N 444.469 0.204 50 20 ICGD O=C(NNC(=O)N1CCOCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 745991716 FUWQYROXVLVHPU-UHFFFAOYSA-N 442.402 0.433 50 20 ICGD O=C(NNC(=O)c1cc(Br)c2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 748717465 OOYGZRUSULQBEU-VIFPVBQESA-N 434.268 0.351 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755452613 LDBLRABCUZEPMS-LBPRGKRZSA-N 449.555 0.198 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1N1CCCCC1=O 755887514 CQELNVIJEPELSA-LLVKDONJSA-N 427.483 0.303 50 20 ICGD Cn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c2ccccc21 758524920 YYOZGTKOWKDXBN-UHFFFAOYSA-N 445.339 0.557 50 20 ICGD Nc1ncc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206954 ZGJZTQSKQDAURU-UHFFFAOYSA-N 433.737 0.306 50 20 ICGD CN1CCN(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1=O 763233492 NKVMKZLXJXWTTP-UHFFFAOYSA-N 433.472 0.469 50 20 ICGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2C1=O 763439938 YTKHPJGINRFVIT-UHFFFAOYSA-N 440.478 0.527 50 20 ICGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 763572585 SHIULIKJFSUIFC-OAHLLOKOSA-N 432.364 0.930 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 763631585 ZIAXCPJOACDTHA-UHFFFAOYSA-N 446.485 0.601 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 763663549 VHNNDLTWUIDEID-UHFFFAOYSA-N 426.429 0.488 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 763773566 ZJMCJRINVACPGU-UHFFFAOYSA-N 435.458 0.815 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763864188 GVHNGQCEPNREIT-GFCCVEGCSA-N 437.391 0.831 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1OC 763911206 GSHHPHUHILEBDF-UHFFFAOYSA-N 439.432 0.859 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 763998344 PPJYXXLWTIAYCX-GFCCVEGCSA-N 447.498 0.583 50 20 ICGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005479 ZGYCTPUEPZKCEZ-UHFFFAOYSA-N 432.820 0.871 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c(O)c1 764108094 CDURXXBNQHKSTO-UHFFFAOYSA-N 446.485 0.849 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cc2)c1=O 764350964 NHLAMPLOIHJUQI-UHFFFAOYSA-N 446.427 0.156 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 764368008 RQFNFQDIADCJSJ-UHFFFAOYSA-N 441.412 0.986 50 20 ICGD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427362 YZIHJDMWQHASQJ-IAGOWNOFSA-N 427.461 0.619 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)Cc2ccccc21 764460321 VZLFOGRSJCUGEA-UHFFFAOYSA-N 427.486 0.601 50 20 ICGD COc1ccc(NC(=O)C(=O)NNc2nccn(C)c2=O)c(I)c1 765703755 XXVYBSUGEGHMGE-UHFFFAOYSA-N 443.201 0.475 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccccc3)s2)n(C)c1=O 765728412 QLSFDANQOOVCQT-UHFFFAOYSA-N 439.457 0.018 50 20 ICGD Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)CNC(=O)c4cccnc4)c3)cc21 771828349 YKBVMBSWIUECNP-UHFFFAOYSA-N 445.439 0.927 50 20 ICGD COC(=O)c1c(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[nH]c(C(C)=O)c1C 772192654 NRAJDZAGLDQZKP-UHFFFAOYSA-N 448.863 0.972 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1 773494531 TWOJJIVQNUBQFH-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD CSC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 778448413 WLPNUSHDWCQUQC-RWMBFGLXSA-N 442.538 0.565 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC 778714646 SQXHVSSJSQLFTL-SECBINFHSA-N 448.270 0.604 50 20 ICGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 779472942 ABWXMTXDUAOSAZ-RDTXWAMCSA-N 448.483 0.971 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)c2ccccc2c1=O 780876964 HZSHLFJUEAJBDZ-UHFFFAOYSA-N 426.437 0.075 50 20 ICGD O=C(COc1cccc(I)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 782060602 FOQPMRWZHNRTMI-SECBINFHSA-N 438.243 0.252 50 20 ICGD CO[C@@H](C)CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 782194137 MXPUNCYQPHQNLK-HNNXBMFYSA-N 427.523 0.603 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3(N(C)C)CCC3)nc2)CC1 783002944 OYUUHWIWECRRCZ-UHFFFAOYSA-N 425.559 0.128 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1OC 783012442 PLEFAGDIBMDKIM-UHFFFAOYSA-N 428.493 0.694 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998599 DPCAKDAWMXWJEE-UHFFFAOYSA-N 444.229 0.308 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1c(F)cccc1Br 784002890 WMDZZWJMYUXKBY-UHFFFAOYSA-N 427.186 0.697 50 20 ICGD CCCc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1cccc(C#N)c1 784468985 LDPMUGNAGKXFBX-LBPRGKRZSA-N 433.494 0.787 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)n1 785226026 CJTJHYQTZQLOTC-OAHLLOKOSA-N 428.449 0.733 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C[C@H](C)O1 788170067 YREKVSBKTDGSIM-GJZGRUSLSA-N 439.538 0.086 50 20 ICGD O=C(NNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)C(=O)N1CCCC1 793305632 SRRAOXMXEDWYSB-IYBDPMFKSA-N 425.445 0.348 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795168672 SCRRCUNWIMQIKR-UHFFFAOYSA-N 426.520 0.944 50 20 ICGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369336 SRFBZYJDLJLXPP-UHFFFAOYSA-N 427.417 0.106 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2n1 799006952 OEMLGRIHLFAVFC-NRFANRHFSA-N 439.472 0.920 50 20 ICGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cc(Br)c[nH]1 799519960 BQUSIPWDPDJLAO-UHFFFAOYSA-N 437.297 0.309 50 20 ICGD O=C(NNC(=O)c1cnc2[nH]c(O)nc2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 809545572 NNLMNUQEYWWNOO-UHFFFAOYSA-N 444.473 0.913 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1c(C)noc1C 811103904 OJFYISOFZIDQHB-UHFFFAOYSA-N 432.480 0.125 50 20 ICGD COCCOCc1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 812868360 VCPQEZFKEQWQLB-UHFFFAOYSA-N 425.449 0.970 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1C(=O)OC(C)(C)C 815692385 PWVVGAITRCJNMD-CYBMUJFWSA-N 442.476 0.890 50 20 ICGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1 916102466 URKKIAVUOJNMNK-UHFFFAOYSA-N 425.536 0.939 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=S)NC(C)C)N(S(C)(=O)=O)CC2 916125132 JBILPEPBFDMARL-AWEZNQCLSA-N 444.579 0.856 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)O 917738086 ZWHRKJLCCGVPBI-UHFFFAOYSA-N 428.444 0.420 50 20 ICGD COc1ccnc(NNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)n1 918094391 WPYICFLFJLHORT-UHFFFAOYSA-N 429.481 0.972 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CBr)C2 1777976798 GUNNUGUPOIMDSI-UYAYXHRUSA-N 447.374 0.978 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779199456 NJAKWAQOECIOSI-QGZVFWFLSA-N 425.283 0.635 50 20 ICGD Cc1c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](F)Cl)C3)cn2[nH]cnc(=O)c12 1780018555 FCLCDHLHAYQQFZ-ZXYWRSMDSA-N 439.875 0.993 50 20 ICGD C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783900922 JOOYXKSEFHGULA-IIBYNOLFSA-N 449.577 0.481 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933788 YKEYSYXBEPUUSE-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1cccs1 1784379536 VNDIHHHQBZFVAJ-YCRPNKLZSA-N 428.319 0.675 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C(C)(C)C)c3)[C@H]2C1 1785620676 AODVSDVUGVVQLP-SZMVWBNQSA-N 448.568 0.604 50 20 ICGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785644827 DVSWBZWKYYIXER-AVGNSLFASA-N 427.299 0.864 50 20 ICGD O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)NC1CC1 1789926490 ZUUWKIVOWXSXET-PNUVHYQVSA-N 432.290 0.491 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1790961657 UIAZYKNXSPVDGY-XPCVCDNBSA-N 442.310 0.852 50 20 ICGD CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)C(C)(C)O 1793117460 MJLMOLJPANLJTQ-XLWJZTARSA-N 447.960 0.889 50 20 ICGD CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879296 XSWCZSSLHUAREV-RMEBNNNOSA-N 433.933 0.743 50 20 ICGD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794041367 NONCQFKYQIMUEK-DMVWFOPNSA-N 439.921 0.252 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1 1795864941 QBRUMBFQZXRUEG-RUUUSXTRSA-N 438.488 0.348 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1799275258 NSUSUUDWMGMRLA-ZSMOCIRGSA-N 442.303 0.874 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3nccnc3c1N)C2 1802333256 QZDCOIXKHMFRBB-CLLJXQQHSA-N 445.549 0.898 50 20 ICGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@@H]1c1cccnc1 1803004430 GPRPPFFRSNKNRN-LXNDAJKASA-N 440.504 0.992 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cc2cnccn2)[C@@H]1c1cccnc1 1803304355 GJRDEPVUHMGODP-JTSKRJEESA-N 439.520 0.493 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 1803759990 AALRNBZWOWJBNL-KDOFPFPSSA-N 434.460 0.437 50 20 ICGD CCC(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805868914 GBWSQYMLZRXBSN-HNNXBMFYSA-N 444.536 0.445 50 20 ICGD COCCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806745920 DUHZWQMRZQDZPN-BEFAXECRSA-N 426.477 0.436 50 20 ICGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Br)[C@H]1c1cccnc1 1806769117 QQBMBNMPDFVACB-FPMFFAJLSA-N 436.303 0.823 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2ccncc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363240 BHBWKWKAZINYNK-NFBKMPQASA-N 444.300 0.719 50 20 ICGD CCOCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298582 JHILIKOPOLBWCG-DNVCBOLYSA-N 426.477 0.436 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCN2C(=O)C=CC2=O)n[nH]1 1815476508 NERZHATXFQSCDP-GXTWGEPZSA-N 437.884 0.971 50 20 ICGD Cn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(=O)NN)[nH]n2)n1 1816482784 KIYCLULHNICPQQ-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824490737 UGSXUDMEAGBOQR-UZLBHIALSA-N 441.532 0.957 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)CC1 1826661223 XPJUJWJXHSVWRX-MSOLQXFVSA-N 442.520 0.197 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)C1(O)CCC1 1829743442 JTFSKOKMCSAECU-IOASZLSFSA-N 437.306 0.684 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cnnn1 1831876908 MFTHUHVULYUVDK-DOTOQJQBSA-N 434.545 0.227 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1=O 1831887622 BRMFEAMLFRSACY-SUMWQHHRSA-N 446.273 0.146 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CCN1 1831938586 VRODEJFPVZLXDR-QUCCMNQESA-N 441.337 0.126 50 20 ICGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1ccccn1 1835705105 GOMJUKIMZXTNTJ-JJRVBVJISA-N 445.289 0.228 50 20 ICGD O=C(c1cc(O)nc(O)n1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718379 WPIZRRCCGAWYGK-AWEZNQCLSA-N 428.873 0.100 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)on1 1837710433 YSUZDBKLRYUKJA-LJQANCHMSA-N 425.558 0.833 50 20 ICGD O=C(c1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837846005 AQORZBQVZOHMMZ-BBRMVZONSA-N 434.237 0.981 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1837922107 MEKUGEBMNDBBHV-QGZVFWFLSA-N 430.310 0.015 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)no1 1838128944 VUQLUNUXUDFMAI-CZUORRHYSA-N 434.262 0.998 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1838395523 YQHMGCCFVPEERU-HNNXBMFYSA-N 445.520 0.334 50 20 ICGD CC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404939 TXAZEFBRPGBLLG-PXNSSMCTSA-N 431.961 0.653 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839198149 VRCAFBSDQDXHSR-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1840152273 CYDSCZZBYDOHRB-QWQRMKEZSA-N 446.957 0.654 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1840155077 PGVBIVNYPCCXDO-HNAYVOBHSA-N 430.860 0.855 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844522470 YBAOMXUBENXBIX-UHFFFAOYSA-N 431.261 0.078 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844740306 ZJVJSUZJYBIAER-AWEZNQCLSA-N 435.868 0.749 50 20 ICGD Cn1c(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc2ccccc21 1847461339 XMAARLUPBUVVAD-VXKWHMMOSA-N 431.301 0.916 50 20 ICGD Cn1nc(C(=O)NNC(=O)Cc2csc(N3CCCC3=O)n2)c2ccccc2c1=O 14888106 GTECVJNHJGNABD-UHFFFAOYSA-N 426.458 0.521 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=S)NC(C)(C)C)cc2)CC1 14894701 DEXKXXBIMQADEB-UHFFFAOYSA-N 441.579 0.447 50 20 ICGD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 15179943 VODBLONORWUFJL-UHFFFAOYSA-N 426.341 0.195 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 17170725 OGOZFKFRTRWGGT-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 726141406 IQCHUPQOEOHRQD-ZDUSSCGKSA-N 444.579 0.522 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1NS(C)(=O)=O 728889776 QDSHARUVBQOHBS-UHFFFAOYSA-N 432.506 0.834 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672655 JIKNFPGIQHOJJQ-GFCCVEGCSA-N 434.515 0.302 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)COc2ccccc2O)c1 730782722 UDXILYPYEPMYRG-UHFFFAOYSA-N 437.474 0.465 50 20 ICGD CSC[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731326412 HAQFXZZTBCVXAZ-AWEZNQCLSA-N 429.564 0.787 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(C)nc3ccccc23)CC1 737065753 ZOFWIJTZUVATDS-UHFFFAOYSA-N 426.477 0.568 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccnc(-n2cncn2)c1 738627440 LKDQNSOQHQNBOZ-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD CCc1nncn1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 745911211 GGQZRRRQGIXUAX-UHFFFAOYSA-N 449.537 0.659 50 20 ICGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746200610 NSOIGMJHYLUQDS-VVUXQZRGSA-N 448.501 0.121 50 20 ICGD CC(C)c1nc(C#N)c(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)o1 746303598 YWPYYIBZWUVKML-UHFFFAOYSA-N 434.478 0.911 50 20 ICGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 747610317 AGJMKDBENMUNKE-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD O=C(CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)NNC(=O)c1ccc(F)cc1 749449244 MWGJVAJCDFDLOI-INIZCTEOSA-N 440.431 0.584 50 20 ICGD COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751271296 MVBXMECRHKIEGY-SECBINFHSA-N 448.910 0.576 50 20 ICGD COc1ccc(-n2cc(CNC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)nn2)cc1 756068699 ATOKZIYRXZNFRQ-UHFFFAOYSA-N 448.443 0.667 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 756188215 BBVSTULKIYNCOE-UHFFFAOYSA-N 427.442 0.843 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC1CCOCC1 756710663 DWMUSCQTOOQQPO-ZDUSSCGKSA-N 428.511 0.891 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 758040845 SHLKPUUUILLWPK-WBMJQRKESA-N 448.501 0.235 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 758752763 NLKMEJLPVVHIPR-HIFRSBDPSA-N 441.452 0.365 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccn(CC(F)F)n1 763529560 CSXSJLZLSKUQFP-UHFFFAOYSA-N 449.462 0.446 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(C)o1 763586611 PDIJKGXSACVYHE-BETUJISGSA-N 446.464 0.128 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OCC(N)=O 763870631 BDSWUMXPYLMTOP-NSHDSACASA-N 448.407 0.252 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)cc1 763895513 GGMWNOABXCQBMM-UHFFFAOYSA-N 430.486 0.998 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 764043216 QQAGJNJPLDXPQU-UHFFFAOYSA-N 439.472 0.483 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C(=O)Nc1cnn(-c2ncccn2)c1 764270693 QBXIPLCZVMYUAX-UHFFFAOYSA-N 448.212 0.964 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 764381919 BWLDQNSTACQIKQ-UHFFFAOYSA-N 430.446 0.958 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N2CCCC2=O)cc1 764812679 ODQOXIBAVFRTIS-UHFFFAOYSA-N 437.460 0.101 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c(=O)n1C 765816284 KMAKMIYUIKBHER-QWRGUYRKSA-N 429.315 0.717 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 767491432 NDQIYDAOWIJPNW-INIZCTEOSA-N 446.460 0.888 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 771840521 RIUFVMWZDIWKFG-SECBINFHSA-N 425.385 0.473 50 20 ICGD Cc1ccn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1 772387128 KIFLCHFGJIMXKG-UHFFFAOYSA-N 431.924 0.775 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)co1 773411591 OKCWDWCBPLWLNA-GFCCVEGCSA-N 444.510 0.938 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 782414236 MBDWUIIKXRZZSO-UHFFFAOYSA-N 445.313 0.445 50 20 ICGD N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1F 782966805 PPTAGUBFVBAKSR-UHFFFAOYSA-N 425.376 0.854 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H](C)O1 784000244 SBIXXFJPCUNALZ-GASCZTMLSA-N 431.493 0.004 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(F)c1 784210656 YYFZEVXMNYOOHF-UHFFFAOYSA-N 435.437 0.447 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)nc1 792391569 GAPMLAQWRFDUKG-LBPRGKRZSA-N 435.462 0.813 50 20 ICGD COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 795290411 MDNOPDWBTWWRQI-ZETCQYMHSA-N 445.302 0.524 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796992110 MTXJNOHXOKLICM-UHFFFAOYSA-N 446.391 0.956 50 20 ICGD NS(=O)(=O)c1cc(C=NNC(=O)Cc2csc(N3CCOCC3)n2)ccc1F 807959073 MPXWCJJOVJGCAU-UHFFFAOYSA-N 427.483 0.459 50 20 ICGD C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 813592786 SGXBPYLIMNJEGY-FZMZJTMJSA-N 433.442 0.397 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnn(C)n1)N(S(C)(=O)=O)CC2 814758687 FJFCANZDPZPMJB-HNNXBMFYSA-N 436.494 0.232 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNc3cnnn3C)CC2=O)cc1 816770158 LZPMRGUUZZIJGS-ZDUSSCGKSA-N 435.510 0.342 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@H](B(O)O)C1 864233413 JEUSQHCHRAXNHA-GUYCJALGSA-N 426.300 0.226 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc(OC)c1OC 914837659 MRAMSQASWTZIQE-UHFFFAOYSA-N 427.435 0.631 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCSc3ccc(F)cc3)n(C)c2n(C)c1=O 919693053 ZZABNFCRONGWPI-UHFFFAOYSA-N 433.465 0.658 50 20 ICGD COc1ccc(-c2nc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1OC 919883856 GABZWXYGGJONRJ-NSHDSACASA-N 440.503 0.958 50 20 ICGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 920885039 YHWGDPBDJSKVOZ-HNNXBMFYSA-N 425.511 0.459 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn[nH]c2)C1 1778213944 XTWJKXWQVUDFIC-BVTBEYEISA-N 441.492 0.671 50 20 ICGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1780159115 VUHIGYXHFDSQPP-HNAYVOBHSA-N 428.844 0.814 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)c1 1780557801 DNIFUJVRAYCGEZ-NRFANRHFSA-N 434.493 0.217 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1ccco1 1781330868 IIHBVBWYEBARLA-CJNGLKHVSA-N 432.246 0.530 50 20 ICGD C[C@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c21 1783935500 UUCXEDUSXVIXBK-LHSJRXKWSA-N 432.525 0.276 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784083577 CJWIMMPSDIFMMR-CWVYHPPDSA-N 447.960 0.727 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 1788610610 LAXIACYLUWCRBA-SNRMKQJTSA-N 429.521 0.859 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788742373 GLZIMNCGCKJEIW-HYFYGGESSA-N 436.322 0.961 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=O)c3ccc[nH]3)C[C@@H]21 1791252654 QUBRWWHDVNBFCV-JKQORVJESA-N 440.928 0.368 50 20 ICGD Cc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1792471217 HGGMKNQWUPETFQ-AOXIVVNTSA-N 429.521 0.366 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793449222 QSPQXVIVZBYJAO-XGYYKPKNSA-N 437.928 0.592 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793549357 BCRWEUCYYCQQEZ-AYRXBEOTSA-N 426.311 0.762 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)C2)c1cccc(B(O)O)c1 1795740689 IRRAJHVHESHZSQ-HVYFLLBWSA-N 434.301 0.373 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)CCOC1 1796367628 KRHLYECPIGKVCU-ZRKYPZEGSA-N 449.907 0.794 50 20 ICGD Cc1cnc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cnccc3C(=O)NN)C4)cnn2c1 1798079349 IQZBSCKCURFPJB-QDMKHBRRSA-N 448.487 0.602 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS[C@H]1CCCCO1)c1ccc(B(O)O)cc1 1798480005 NDLSBSMVAIUQPN-DMUMMCEESA-N 432.351 0.878 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800639945 QUMNLWKPYIPEED-QFCKPIOYSA-N 445.383 0.776 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1803140057 AQEJAMZUESQVQS-YSHGAJCASA-N 437.972 0.323 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1 1803724375 HIMVSEWLRJOZKX-WKCHPHFGSA-N 435.289 0.890 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n(C)n1 1805646009 PUTFIXOWBUUBSE-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1 1812334130 WKJJZRKAAJMLPG-ZMSDIMECSA-N 441.985 0.825 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H]1c1cccnc1 1813034340 IDUOTZABWVTBOE-QAETUUGQSA-N 443.953 0.918 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674254 OTCCZHFOUBWVQC-JGVFFNPUSA-N 436.885 0.512 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(=O)oc2)[nH]n1)c1cccc(B(O)O)c1 1817473359 OHKWMMVSHYOIPJ-QGZVFWFLSA-N 436.233 0.662 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822871486 PMHYOGGZIQYSQE-SGQUHAKNSA-N 446.276 0.899 50 20 ICGD CCOC(=O)/C=C/C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080332 BKZPUOJSFLKKAM-BZYZDCJZSA-N 437.522 0.547 50 20 ICGD O=C(CCn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055185 RLQQLGQEBKSKKQ-FQEVSTJZSA-N 439.325 0.282 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829956066 GHCLKAWPMFPSMO-JEBQAFNWSA-N 436.336 0.205 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831812297 YCCXATPPQJXCAH-FQEVSTJZSA-N 438.601 0.958 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712423 CYUIFDDHLPRGHN-LPHOPBHVSA-N 443.953 0.884 50 20 ICGD CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CBr)CC2)CC1 1833264593 KAKREYQYSJULIK-ZDUSSCGKSA-N 431.375 0.725 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1)c1ccc(B(O)O)cc1 1834797504 QFBBIRBPVVOEGI-UHFFFAOYSA-N 425.294 0.458 50 20 ICGD Cc1ocnc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836009752 RFOAPOMWYZAJKZ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1836297888 NAZKMYZWRXHMHC-BZNIZROVSA-N 430.303 0.214 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836871864 KSZKTLUWTXGRMV-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837649286 FFVNSMXYEYZSFK-RDTXWAMCSA-N 448.303 0.170 50 20 ICGD COc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838877351 BWWLRXOOXCTIIL-QFIPXVFZSA-N 448.520 0.138 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1OC 1838930497 XPLXFVQCKWJYEQ-YWZLYKJASA-N 442.896 0.374 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839155507 VPMGBJSFCCHGKK-MOPGFXCFSA-N 446.331 0.901 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839200890 RPDIQUQHFBWEKH-AHIWAGSCSA-N 437.306 0.706 50 20 ICGD O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)c2N1 1839572995 DPTVYBQMKXCTAM-QFBILLFUSA-N 425.844 0.786 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030097 ADWRTKJMCLLBIY-PXAZEXFGSA-N 434.331 0.141 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840031931 GYCZCFOQYMSVAL-KSSFIOAISA-N 442.310 0.088 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1840150414 KIQJDTMWEAYPHA-KXBFYZLASA-N 427.885 0.414 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840155148 RAAHNQDQKFJYMS-PXNSSMCTSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)c1ccccn1)CCO2 1840504658 OWMIAAXRKQUCNI-FTRWYGJKSA-N 425.913 0.895 50 20 ICGD O=C(c1ccc2cc(O)ccc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011326 SNNGOPYYPACSSV-UHFFFAOYSA-N 431.257 0.751 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011453 FOGSDRLUMCAHJB-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012976 WGORDYLZMXUHHQ-AWEZNQCLSA-N 431.298 0.097 50 20 ICGD N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccc(Cl)c1 1843013545 WEISBJMWISKRIT-GOSISDBHSA-N 427.697 0.537 50 20 ICGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc2c1OCCO2 1843295385 SHAVMWYQJSACTR-UHFFFAOYSA-N 436.273 0.577 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)[C@@H]2C1 1846132911 UEQKTEQURLAZMR-XGUBFFRZSA-N 427.929 0.902 50 20 ICGD COc1cc(C(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc(OC)c1OC 26687772 PBXVCOSHTUARGI-UHFFFAOYSA-N 442.428 0.567 50 20 ICGD Cc1ccc(NC(=O)C2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)nc1 725871741 GAGQIFJONHNRGE-UHFFFAOYSA-N 428.449 0.804 50 20 ICGD Cn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccc(Cl)cc2)c2ccccc2c1=O 727365143 MOUVWDKANGDBNE-UHFFFAOYSA-N 442.863 0.847 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 729395138 LIUVDBRPEWCLPW-KRWDZBQOSA-N 447.473 0.923 50 20 ICGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)c1ccc(OC)c(Br)c1 732246110 MRLVWQYEZZHWLT-UHFFFAOYSA-N 437.316 0.731 50 20 ICGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(C)c12 732262071 QWVCRPNCVNWVTR-STQMWFEESA-N 432.525 0.458 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)CN2C(=O)NC(=O)C2(C)C)c2ccccc2c1=O 735841436 ZETPNOYZQJUISF-UHFFFAOYSA-N 442.476 0.678 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 740852924 PSQPRISIXXQPOF-UHFFFAOYSA-N 442.519 0.885 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)NCC3CC3)c(Br)cc21 741653668 OCIPEFXTFJMRID-UHFFFAOYSA-N 432.300 0.542 50 20 ICGD O=C(CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)COc1ccc(Br)cc1 746094930 VPBKIEXAOAVPCI-WUKNDPDISA-N 437.250 0.892 50 20 ICGD Cc1c(C(=O)NNC(=O)Cc2cccnc2)cc(Br)cc1S(N)(=O)=O 747379309 DHURLLJJNIPCOM-UHFFFAOYSA-N 427.280 0.804 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 747448663 FXEKSMGBAPQVHS-QGZVFWFLSA-N 440.591 0.266 50 20 ICGD CC(C)(CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 748964992 FBBJISZGAFKOAR-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)c(OC)c1 751209975 WBRXSKDUHOBGMH-LBPRGKRZSA-N 446.485 0.696 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC[C@H]1CCOC1 751210165 CCMBHESJGJRQQQ-KRWDZBQOSA-N 439.534 0.604 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=S)N[C@@H](C)C2CC2)c1 751620484 VQKACGGBFMXKPJ-LBPRGKRZSA-N 429.568 0.173 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 752400718 UFWURNVCPQASGT-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD O=C(NNC(=O)c1cc2nn[nH]c2cc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 753982015 SWYCZCRCBPRHKU-UHFFFAOYSA-N 432.437 0.956 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 756279765 HHVAATHQQQHQCA-SNVBAGLBSA-N 435.959 0.984 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1 757683348 PPKHDUQPULIQDX-UHFFFAOYSA-N 449.489 0.886 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccccc1C#N 757870995 CDEPZFLUACVXJJ-OAHLLOKOSA-N 446.489 0.963 50 20 ICGD COc1ccc([C@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CCC(=O)N2C)cc1 758827164 IDPZWIFDHPWBHN-QAPCUYQASA-N 425.445 0.786 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1Br 759629150 OORCLBHYNKKBBN-LBPRGKRZSA-N 439.222 0.327 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572995 PGKIPVCNTHQGPA-QGZVFWFLSA-N 449.423 0.577 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 763628445 KOGOEPDUHKJFHV-UHFFFAOYSA-N 433.432 0.716 50 20 ICGD CS(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 763728350 LCXMYZYLBBLXCL-UHFFFAOYSA-N 430.486 0.629 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(Cl)c1 764002183 JSWLFZZMXBMOFG-LLVKDONJSA-N 439.881 0.355 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cc1 764267123 OLALEBVLJBROBZ-UHFFFAOYSA-N 433.490 0.441 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 764314566 ZRYSEXFSZNVTDX-UHFFFAOYSA-N 437.449 0.578 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764363038 KFAAGVGFDZJPOC-UHFFFAOYSA-N 435.440 0.954 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 765318961 BEERBJYWDOUIFI-OAHLLOKOSA-N 432.477 0.958 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNc1nccnc1OC 766271128 KLJMCDLOHIRMEL-UHFFFAOYSA-N 436.450 0.016 50 20 ICGD N#Cc1ncn(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 769094910 LOJBZFKUGKKQKE-UHFFFAOYSA-N 428.416 0.313 50 20 ICGD CSC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 770988819 BGZSUFJMKTUBPI-JBLDHEPKSA-N 433.494 0.419 50 20 ICGD COc1cc(C(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1OC(F)F 771019884 FXYSWMOSBUMGMR-UHFFFAOYSA-N 437.363 0.552 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 773411125 ITAPOKFGVFKKLD-CYBMUJFWSA-N 439.513 0.892 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 778440411 GKMQUSPCXJDDEU-CYBMUJFWSA-N 434.449 0.692 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 782897584 RBKJDZDLWGRBDL-UHFFFAOYSA-N 444.517 0.680 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 784835192 GZFZTEFFPZMECX-UHFFFAOYSA-N 437.388 0.740 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2ccc(F)cc2I)c1=O 785089945 JUWQROLFZNVBIR-UHFFFAOYSA-N 431.165 0.606 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccccc1Br 786414704 QFRSCLHVKZESKU-UHFFFAOYSA-N 438.238 0.759 50 20 ICGD Cn1cc([C@H]2[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC(=O)N2C(C)(C)C)cn1 795174777 MPWMHZXTUHHIBM-CJNGLKHVSA-N 427.465 0.289 50 20 ICGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 795276621 RMAQULKRSONONA-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CSc2ccccc2O)c1 795903616 ZCPFLLFSXVHONK-UHFFFAOYSA-N 439.515 0.870 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)sc2S(N)(=O)=O)c1 798699169 QDGYKWNSJCAFHZ-UHFFFAOYSA-N 442.862 0.539 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 802067266 AORNYCBDPCELFH-UGFHNGPFSA-N 436.490 0.807 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNc3ccc(Cl)nn3)c3ccccc32)N1 806968102 XGEDSBJHJIZSLZ-VXGBXAGGSA-N 430.852 0.609 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1 806974846 VYQQRWZUXFVOFD-UHFFFAOYSA-N 428.445 0.536 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)c1 812978195 GZOFRBPBRFBZTE-UHFFFAOYSA-N 438.400 0.922 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cn(CCO)nc1C1CCOCC1 856683118 XIWSZMRORUIKOS-UHFFFAOYSA-N 445.476 0.457 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)OC)c1 915312288 ZHXICTDQBGXYFC-UHFFFAOYSA-N 429.499 0.946 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cnn(-c3ccccc3)n2)c1 916094554 NWVBZPXJOUMUID-UHFFFAOYSA-N 428.474 0.521 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNc2ccc(C#N)cn2)c1 916521565 ITYRDCUFMGPLRP-UHFFFAOYSA-N 431.478 0.260 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916741030 NULRXQIWOXCYID-UHFFFAOYSA-N 448.501 0.717 50 20 ICGD CSC[C@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916830404 VYLVKHDCPLOPFI-BZUAXINKSA-N 446.529 0.988 50 20 ICGD C[C@@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 920933038 LIIANNJHIHQLJB-IJLUTSLNSA-N 431.540 0.340 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H](F)Cl)C3)CC2)CC1 1778025636 UTGQVSSIQPAWID-JTDSTZFVSA-N 430.952 0.815 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552043 JUGHKTFPXHHITH-QGZVFWFLSA-N 427.299 0.894 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cccs3)CCO2)C1 1779031670 VJYGVRDUQVQKKV-SHTLVRLNSA-N 441.513 0.904 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371143 IKEHFIPTNUZSCX-DRSNIGMVSA-N 447.536 0.220 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCSCC1)C2 1782166690 HUSDBQMKJAVGQG-FRQCXROJSA-N 434.002 0.803 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)s1 1782211869 CEGHIRPUKCMCKS-OXQOHEQNSA-N 437.566 0.952 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783354432 ABSIKYIWCIIOIN-DYVFJYSZSA-N 433.347 0.363 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783633519 NUDSFKOUQWWQTM-YTFOTSKYSA-N 430.343 0.666 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783851608 FVYCNZWXCAALNE-RCBQFDQVSA-N 437.928 0.543 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc2c[nH]nc12 1783936039 BEYNFAJJTPLTCA-JOCHJYFZSA-N 442.520 0.688 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]21)[C@@H](O)CCl 1784091267 MMCRWSKZKMUJMH-LUVWLHFXSA-N 433.896 0.665 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CC4(CCC4)C3)C2)C1 1784842020 FWVMCBQTYGQINX-QFIPXVFZSA-N 427.505 0.709 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC=CO3)C[C@@H]21 1787508351 GOPPVRBFQVPYNU-IAKWRSPOSA-N 443.504 0.793 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788545536 XQTAMMMPTNJHAZ-UMGGQSCQSA-N 445.564 0.840 50 20 ICGD Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1790271087 CGFOINQTOLLNAB-NYVOZVTQSA-N 447.300 0.454 50 20 ICGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1792653449 OLHDJHOTDBOIPD-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(C(F)(F)F)n1 1792977363 UINZSLYWDLNAPP-DJBIQUGXSA-N 446.813 0.775 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798381083 LICMHCFOXMAUBM-JPIFAXBWSA-N 445.524 0.466 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1799684094 ATJFVRRSRFNMHJ-WJZNIJOASA-N 426.297 0.223 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2c(F)cccc2n1)c1cccc(B(O)O)c1 1801024932 WFLZJMLSPYUUEZ-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802969965 IQJJJVOUISGPSY-RXVVDRJESA-N 425.294 0.508 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1812498261 JAHUSWCBFKCXSA-TWMKSMIVSA-N 443.953 0.918 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813032673 FLWRXJSRQYBZNP-YQQAZPJKSA-N 431.942 0.776 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cccn1 1813075198 XRCWAGYKXAPFHI-HGHGUNKESA-N 441.536 0.918 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813179468 VYMNFHXNBPZOEG-VCBZYWHSSA-N 434.880 0.266 50 20 ICGD CN1CCC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815343809 PZDMFOGNEFPQBR-ZBFHGGJFSA-N 442.350 0.391 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)n(C)n2)n[nH]1 1816124802 PPCQEAUJLLWUHD-CQSZACIVSA-N 432.485 0.528 50 20 ICGD O=C(Cc1cnc[nH]1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817045107 LYQYMPNEOCEWPH-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CN(C)C1)CC2 1817283233 YKJFYLUTPVFMSA-OBPDLJBASA-N 443.533 0.751 50 20 ICGD Cc1ncncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472347 RBOYURIRACRWSN-SFHVURJKSA-N 434.265 0.808 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncn2)n[nH]1 1818177045 OAKXPSZSQOTABL-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)n1 1819402143 PLCSHHGMORLVAD-INIZCTEOSA-N 437.464 0.761 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)COC1 1824910829 IOMAMKKJSOZASG-AWEZNQCLSA-N 429.307 0.475 50 20 ICGD Nc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)s1 1827054978 QZEVQFXULWJRMN-KRWDZBQOSA-N 442.350 0.952 50 20 ICGD O=C(CCOc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719429 DEBOJSUULBZSSA-XLIONFOSSA-N 444.887 0.651 50 20 ICGD O=C(c1ccc2cnccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728277 RIAVQBWEKXWJMM-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc(O)cc1 1830733858 WIKRXPPNGMSPLB-GZRFBZBPSA-N 426.897 0.552 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(C)n1 1830738378 NXEFUGSNFFEUHN-RXVVDRJESA-N 439.940 0.687 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831644212 RKVBKVYINJSNSV-YWZLYKJASA-N 440.928 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831830575 UFBGRWYMYXRLQS-GJZGRUSLSA-N 439.877 0.585 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831869504 HXFKFPCIONGHHE-RTBURBONSA-N 437.585 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 1831870572 DYXJIVNPTOEABN-SFHVURJKSA-N 448.568 0.587 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832502897 SVWOPZWCBSNYOJ-UGKGYDQZSA-N 436.936 0.774 50 20 ICGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Br)CC3)CC2)O1 1833513514 ZAXNYXSFZNCZPZ-QWHCGFSZSA-N 435.294 0.357 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)c1F 1833739883 PJTCPLNKJWHRPK-KPZWWZAWSA-N 432.880 0.435 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440367 NKIKTXSVDQBWPX-GUYCJALGSA-N 429.315 0.521 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819463 OKUPATPCPRSELJ-CXAGYDPISA-N 434.331 0.143 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835084154 OEAKQGCHEKHKCU-IAGOWNOFSA-N 449.907 0.587 50 20 ICGD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cs1 1835791937 ZLSKEVLAJGWFIU-HNNXBMFYSA-N 433.328 0.580 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ccns3)CC2)CC1 1837352961 NEIACMWZNOJRAY-UHFFFAOYSA-N 443.334 0.749 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837631860 ABXDUWPGEDYORM-KRWDZBQOSA-N 431.276 0.280 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1 1839200379 JLFKEIZIAGZWLS-BBRMVZONSA-N 447.261 0.246 50 20 ICGD O=C(c1cc2cccnc2nc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839513510 NEAREQIDMUOKNP-IFXJQAMLSA-N 438.843 0.940 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)N1CSCSC1 1843011637 YHLKAUOWTTVNGP-CQSZACIVSA-N 435.380 0.226 50 20 ICGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)[S@@](=O)c1ccccc1 1843012088 BWYGBAMYMQCGKD-RKXCMPKHSA-N 440.330 0.380 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C(F)(F)F)c1 1843561092 OBKVLQYUJJDRFY-UHFFFAOYSA-N 435.211 0.855 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncccc2Br)C1 1844506178 JTPSJQDRGBSFBW-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1845743245 WXBBIMSIHVGRPW-IBGZPJMESA-N 447.499 0.268 50 20 ICGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 14327297 ZYIVLMDBVCHTBP-PSLIRLAXSA-N 425.850 0.977 50 20 ICGD CON(C)S(=O)(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1Cl 728179980 VQDZDWHAZXNPEK-GFCCVEGCSA-N 439.943 0.628 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(F)cc1Br 728515373 BBPSRPUNNBFEKC-ZDUSSCGKSA-N 429.246 0.476 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CCN(c2ncccn2)CC1 728959292 JKWZEMBNNXGORY-UHFFFAOYSA-N 438.492 0.287 50 20 ICGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729298958 IUCCCQBBTFPZQQ-UHFFFAOYSA-N 448.443 0.948 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)Cc1c[nH]c2ccccc12 732054101 OFZAETHQVYIPGK-IBGZPJMESA-N 427.505 0.571 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](C)O1 732260357 DAEGZNIHWSZWKB-HDICACEKSA-N 446.548 0.951 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)c2c(F)cccc2F)c2ccccc2c1=O 733043648 YMEIQKLRSFKUDU-UHFFFAOYSA-N 444.398 0.586 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733171594 YBJJHLHRJHTOGE-UHFFFAOYSA-N 443.485 0.872 50 20 ICGD Cc1nn(C)c(C)c1C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(F)(F)F 733906248 BYTAAZOHZXIBOB-UHFFFAOYSA-N 433.416 0.004 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734517365 PMYONEXDXPDLOB-UHFFFAOYSA-N 426.426 0.391 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 735413730 IWDWOLFDUSTXQU-LBPRGKRZSA-N 430.494 0.498 50 20 ICGD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)C1 744383945 AFBVCIXFPBKWSD-HDICACEKSA-N 440.548 0.441 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C 744384278 AMPFPDNMVZQGAC-AWEZNQCLSA-N 428.580 0.185 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(Cc2ccccc2)C1=O 744878273 VANZOZRNINQKHP-OAHLLOKOSA-N 444.517 0.725 50 20 ICGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)c1cc([N+](=O)[O-])ccc1O 745736274 FPMMYZPFQYIANS-KRWDZBQOSA-N 425.467 0.452 50 20 ICGD C[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCN1C 745859206 ZCZROYZJXGLVER-HUUCEWRRSA-N 425.559 0.127 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 746094597 ABCZIOSBOMRRDT-ZDUSSCGKSA-N 443.485 0.144 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 746097003 TVXFKLHISPQBIM-AWEZNQCLSA-N 446.485 0.222 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)Cc1cn2ccccc2n1 746641670 ROZIBIAXIVQDEU-UHFFFAOYSA-N 446.445 0.301 50 20 ICGD COC(=O)c1ccc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 747625146 FJOBWNZYHWUNTA-UHFFFAOYSA-N 448.501 0.905 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cc1 747663349 INCLBMYMGPHMAU-CQSZACIVSA-N 447.517 0.859 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(OCC(F)(F)F)cc2)n(C)c1=O 748701600 OXPIVXHHDYHUPO-UHFFFAOYSA-N 426.355 0.518 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)CNC(=O)c2ccco2)n2nnnc2C)c1 751201412 JIIZEUSIFRZPPJ-GDNBJRDFSA-N 425.405 0.159 50 20 ICGD O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NNC(=O)c1cnn(-c2ccccc2)c1 752172163 BYEUHLGQDGGPTO-HNNXBMFYSA-N 449.514 0.713 50 20 ICGD CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 754083907 AFLAWUCMFREOCQ-UHFFFAOYSA-N 434.416 0.245 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)C(C)(C)CN(C)C)cc1 754375512 MHVXRCWDVIXLKC-OAHLLOKOSA-N 427.571 0.922 50 20 ICGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 756434396 MQRFLMUMBKIWHK-LBPRGKRZSA-N 432.524 0.734 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(F)cc2)cc1 756785483 VBJCKEWORUAWCR-UHFFFAOYSA-N 440.453 0.982 50 20 ICGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 757796336 MFDWHOQXDCBAQL-WMLDXEAASA-N 437.570 0.127 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 763682355 RECSWQLKCLMMMO-OAHLLOKOSA-N 440.456 0.854 50 20 ICGD COCCn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cn1 763696199 UCSXLPRQJVJLTJ-UHFFFAOYSA-N 440.254 0.457 50 20 ICGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763732582 GCJFOOJCDXHORK-UHFFFAOYSA-N 449.489 0.195 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C(C)C)cc1 763825461 YCMPOYJFCJVHOY-SFHVURJKSA-N 447.517 0.270 50 20 ICGD CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764151217 HWDVHLUXVLOHPL-MRXNPFEDSA-N 431.470 0.958 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 764226845 KOMNJPMCPICVGI-QMMMGPOBSA-N 436.437 0.166 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 764400395 PSMFMWMWFZHKPF-BZUAXINKSA-N 436.509 0.433 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](O)c3ccccc3)CC2)cc1 765174351 BOUFNVUGFLWQRL-HXUWFJFHSA-N 446.529 0.182 50 20 ICGD C[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)N1CCN(C)CC1 766661271 VFHMKFRQPHRZKH-KRWDZBQOSA-N 436.988 0.241 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(C)(C)O)ccc2Cl)C[C@H](C)O1 768262784 YITCPDPLMKMYNZ-QWRGUYRKSA-N 433.914 0.670 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 768634975 SRCWCCVAKZINEO-UHFFFAOYSA-N 438.487 0.281 50 20 ICGD CO[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 769726007 GGTOKJSCNAIJML-GOSISDBHSA-N 427.523 0.459 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 769739106 REWFLQXKQHURAK-SECBINFHSA-N 443.279 0.720 50 20 ICGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)o1 772184112 VSZFYUBOXWQGLK-UHFFFAOYSA-N 428.854 0.060 50 20 ICGD NC(=O)c1cc(OC2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)ccn1 772333656 RWFAWUJBGLGVHI-UHFFFAOYSA-N 442.432 0.393 50 20 ICGD COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1C(=O)O 772865946 ZCGNDTDPQCMWDS-UHFFFAOYSA-N 433.240 0.513 50 20 ICGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890504 YINVQKSPSKZTJN-UHFFFAOYSA-N 442.863 0.800 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 776076879 PADDOGNRFRYBPO-WPKBUWHJSA-N 429.470 0.660 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 783409776 VRQBUPJWKWPUIK-UHFFFAOYSA-N 432.384 0.918 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 784004779 UZORLMBZUNBJKH-UHFFFAOYSA-N 431.424 0.925 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 789308766 GAKFBJSXMIIDJR-SFHVURJKSA-N 443.479 0.811 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)n1 792822352 YSQWXURTJNRCAT-ZDUSSCGKSA-N 437.499 0.646 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369009 LSVFFPONWQAIDS-UHFFFAOYSA-N 434.430 0.547 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 799257342 JBRLQXNIXSALAL-UHFFFAOYSA-N 428.401 0.215 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 806339783 IUYPATSJDDOJHX-XHSDSOJGSA-N 428.530 0.659 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 806568178 PJSGQNBXBZSQJV-JTQLQIEISA-N 427.361 0.361 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 806978308 VVMGVPCBKHLHOP-SJORKVTESA-N 447.451 0.355 50 20 ICGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 810348759 SXGPORDXZBSTMN-UHFFFAOYSA-N 446.533 0.436 50 20 ICGD CN(C)c1noc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 812218881 WAHOROKUPUKSFQ-UHFFFAOYSA-N 437.482 0.064 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(CC(N)=O)cc2)c1 812481970 FVFIJHPNPBSTEY-UHFFFAOYSA-N 433.490 0.109 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1 814736524 OTKSLJVXECKFCX-UHFFFAOYSA-N 426.838 0.634 50 20 ICGD COC(=O)c1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)on1 814877185 JYHYHOKSWZUPMJ-UHFFFAOYSA-N 449.489 0.226 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2sccc2C#N)cc1 815565446 OJAFHTFDONDTDB-UHFFFAOYSA-N 435.487 0.335 50 20 ICGD CCOC(=O)c1nc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)sc1C(C)=O 815566174 KYVZEGDIBKGLLV-UHFFFAOYSA-N 448.457 0.996 50 20 ICGD CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1777727639 TUWAGEJGIDRQHI-DENIHFKCSA-N 440.309 0.093 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)F)C2 1779373547 YGZOFEJPISVKKS-RDTXWAMCSA-N 443.426 0.765 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771670 PEHCUNQZBGDULM-MPKXVKKWSA-N 429.308 0.235 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)[C@@H](F)Br 1780777415 RHIOOGKOTHXUMV-RGYTYGDFSA-N 446.273 0.116 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330457 XOSGOXYABLCRDG-CZUORRHYSA-N 426.246 0.863 50 20 ICGD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782178672 OWQNSJIHSSPKHB-KBXCAEBGSA-N 437.840 0.514 50 20 ICGD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783024021 SQRNTDYYZCMCFA-TXPKVOOTSA-N 439.354 0.109 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNc1ccc(F)cc1)CCO2 1783933586 ARYKKBJIXDZHFF-OAQYLSRUSA-N 435.500 0.441 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 1783935663 WLAYIKJQNSMKLE-FQEVSTJZSA-N 442.438 0.920 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1783936182 FHWMIMIBSKGESP-QHCPKHFHSA-N 446.548 0.749 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)CCO2)C1 1783997603 ZOMQZVKAMZPSAS-XCLFUZPHSA-N 435.433 0.999 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccco3)[C@H]2C1 1785367794 HWDUAJRJZKDLFQ-WTJDKIPASA-N 439.472 0.585 50 20 ICGD C[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786986447 BRYGGLFCWJVFFV-BWOMAWGNSA-N 428.338 0.786 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cc2n(n1)CCCO2 1788353067 ZYAAQBPCHUWVKZ-TZQJONAQSA-N 445.289 0.949 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)C(=O)Nc1cccnc1 1788716076 XDLSHLMGSVQION-PYJNHQTQSA-N 443.273 0.690 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)nn1 1789924540 KYOLSIISTOBHAL-JYYRZZBQSA-N 431.262 0.769 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1791056139 OSZJINQMQZPHOS-YTFOTSKYSA-N 428.331 0.677 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1793448366 ANIGFIFEQMMBFU-BPKGMFCQSA-N 432.901 0.478 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1795115808 LOEHVGBGGKTRGP-WDAIWFPHSA-N 427.255 0.163 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796422499 JHRUSWLHOJVDGE-WCQYUDONSA-N 430.958 0.786 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799278461 HUEDEJRGRONUIR-VDWHBMEOSA-N 425.309 0.428 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801172833 XWYRNMJUJPKJBW-ALOBAPJISA-N 436.317 0.448 50 20 ICGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803353372 XNXQVHVDZLKNMW-WMLDXEAASA-N 442.476 0.019 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n(C)n1 1805639021 OVTQNPIJNBHORH-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cccn2)[C@H]1c1cccnc1 1807638110 CVQKVWUQVFVNRM-LAUBAEHRSA-N 427.509 0.357 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1810542337 ZJYVPVNEGLTKBT-MPGHIAIKSA-N 447.568 0.537 50 20 ICGD CCc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)co1 1811010524 KPWPGTINFSRVLE-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1812864294 ODGRMYYXYVKLAY-JGGQBBKZSA-N 437.342 0.711 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)[C@H]1c1cccnc1 1813033366 MFPUOUSZDXGGHM-OFVDUGFESA-N 441.912 0.957 50 20 ICGD CC(C)(C)[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814818347 USEFEESGICVOAO-SJLPKXTDSA-N 428.298 0.802 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)[C@@H](O)CCl 1814877952 PBGZDWHQZWQGNY-UWVGGRQHSA-N 425.795 0.680 50 20 ICGD Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cnn1C 1816563690 AEEOCBDJJKQHBX-SFHVURJKSA-N 436.281 0.751 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477405 YHGXSBMBPICAHX-KBXCAEBGSA-N 427.314 0.736 50 20 ICGD CC(=O)N1CCN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)CC1 1818963980 SWCKPATYEVGAKE-JKSUJKDBSA-N 440.932 0.166 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401482 DFDSFHBFYWKNKX-XHDPSFHLSA-N 442.480 0.226 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821043188 NTQMUSXHKAOXDI-BDAKNGLRSA-N 438.897 0.512 50 20 ICGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)Br)sc2C1)C(=O)O 1825641428 HOLNDFUXBKAMOR-QXFUBDJGSA-N 433.328 0.901 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@H](O)CC3)sc2C1)c1cccc(B(O)O)c1 1826338752 JRCGZRIRZZTSNI-DAXOMENPSA-N 443.334 0.600 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C1(O)CCC1 1829740181 KJOVDXOTNMPXJZ-LPHOPBHVSA-N 428.602 0.845 50 20 ICGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1830329012 NELWXVXTKKVUDX-KSSFIOAISA-N 430.509 0.053 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831022918 BATZTYCYZUOOJO-CXAGYDPISA-N 448.314 0.069 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1831654493 UCSOTTLILFXGKS-JXFKEZNVSA-N 440.928 0.979 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cn4cccnc4n3)CC2)CC1)[C@H](O)CCl 1833310598 SYKURMDXFWAYPC-QGZVFWFLSA-N 434.928 0.514 50 20 ICGD C[C@@H](Cn1ccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312921 MIERXONPLULBDO-MAUKXSAKSA-N 425.961 0.691 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834064 IRFQEJYXDQMSKH-SJORKVTESA-N 433.292 0.489 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1834421651 BERWVNLMAYTJJK-UHFFFAOYSA-N 428.335 0.030 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797919 LUDARDXZWTXWMC-UHFFFAOYSA-N 425.338 0.662 50 20 ICGD Cc1cnn(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)c1 1834895041 QTSWHSHSBMKBMO-UHFFFAOYSA-N 447.584 0.136 50 20 ICGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1835043305 NESMWQNJZHXIHS-HSZRJFAPSA-N 446.548 0.367 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1837711290 BTLDIVNVOQGACA-QGZVFWFLSA-N 428.587 0.647 50 20 ICGD CCc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1838060370 KSQUNNROCOWAKP-AUUYWEPGSA-N 429.901 0.869 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)CC1 1838789724 VMFDGPVKVJHNJN-HWKANZROSA-N 446.552 0.795 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200321 ISVOYYRURHXPSY-PBHICJAKSA-N 446.273 0.146 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203080 ZBNJJETUJASYER-GOEBONIOSA-N 433.278 0.338 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cccn1 1839203872 ZAZHTKIYEDPQDN-IOASZLSFSA-N 433.278 0.591 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839997519 RFNHMSPTSDIOME-UWJYYQICSA-N 438.908 0.220 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1F 1840150051 FUQHODQPRRRJJF-KPZWWZAWSA-N 432.880 0.435 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1840154944 LGNPYFSDMWWLBX-IFXJQAMLSA-N 430.860 0.855 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841556912 OBKYMTIJBFVMBW-HXUWFJFHSA-N 433.273 0.377 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1843416135 CSCYECNYADBWQI-OENTUMBLSA-N 427.509 0.796 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c21 1844637153 WGXUSJAVTXNOFP-UHFFFAOYSA-N 434.261 0.090 50 20 ICGD O=C(C[C@@H]1COc2ccccc2O1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847755038 HXBPDCVIQXVPST-QYZOEREBSA-N 436.273 0.412 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CS(C)(=O)=O 1847817054 AVAUWIBYBUVXPG-WYRIMPJPSA-N 437.522 0.003 50 20 ICGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Br 1848217377 KNJZJHBISZARFD-WTFGDDLMSA-N 443.273 0.885 50 20 ICGD COc1cc(Br)c(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1O 16881450 FCYNVYURCNNGNO-RUDMXATFSA-N 435.234 0.933 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 22189913 XGESHFHSYZTMRN-KRWDZBQOSA-N 435.458 0.212 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)cc(OC)c1OC 117008488 BNKRHAPKHVNKBD-UHFFFAOYSA-N 429.476 0.513 50 20 ICGD O=C(NNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)N[C@H]1CCS(=O)(=O)C1 729340779 LZMFBMPRANBLNN-VIFPVBQESA-N 428.364 0.492 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 734672099 BOOPWNOTZICEJK-UHFFFAOYSA-N 440.453 0.781 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 744878203 RNDZJBHGBXJAIQ-QGZVFWFLSA-N 430.486 0.835 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 746013447 ANSOISYMXPGECG-QGZVFWFLSA-N 442.472 0.591 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 746306382 DJARNBKUBNMOES-UHFFFAOYSA-N 431.883 0.494 50 20 ICGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 748790611 ABOMHYLLZBRIOU-LBPRGKRZSA-N 435.955 0.840 50 20 ICGD CO[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 753559338 VVHKKNSJBZLOTN-LSDHHAIUSA-N 426.543 0.457 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 756624853 GYULFQZCPBBQNQ-UHFFFAOYSA-N 430.450 0.178 50 20 ICGD Cc1ccccc1-n1ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C(F)(F)F 758052602 IXWYHRVGURFAGT-SNVBAGLBSA-N 433.412 0.898 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 763664979 APEJQEOURMOXOW-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2O1 763719107 VBFBWMYWGFGNGG-CYBMUJFWSA-N 446.485 0.512 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 763864685 FRTRFDVMSOIXDL-NSHDSACASA-N 430.392 0.734 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 763891599 POTVKQHOOLOGKK-UHFFFAOYSA-N 443.485 0.088 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)n2)cc1 764152383 DKXCNXHFMVOGCD-KRWDZBQOSA-N 431.412 0.288 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764166923 GAVBWMJHENJSJJ-QGZVFWFLSA-N 446.485 0.463 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cccc1-n1cnnn1 764203919 PKMFVJFBEBCIQL-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 764402080 XLJMMKURDKOUGO-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1ccc(C(F)(F)F)n1 765736466 SSQFZSKLIBZNQQ-UHFFFAOYSA-N 438.410 0.507 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(-c3nc[nH]n3)c2)cc1 767192005 QDLLFRMHMFUHFB-UHFFFAOYSA-N 428.474 0.862 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 767274175 UWLPEZSDBPAXBH-UHFFFAOYSA-N 442.403 0.884 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 769741259 PWCPMCBNJZGBBH-CYBMUJFWSA-N 436.490 0.959 50 20 ICGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Br)cc1Cl 770174535 NCDMKLRIIATDMO-UHFFFAOYSA-N 442.719 0.819 50 20 ICGD C[C@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 770967684 RSKCXHZMOSXHBL-XTAFZBPGSA-N 443.464 0.281 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C(=O)NC1=S 772180428 XCKXYKDECFYHMS-PEHNMLCRSA-N 426.882 0.502 50 20 ICGD Cc1oc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1C 775882497 TXDSFWCRLBXTES-UHFFFAOYSA-N 439.432 0.650 50 20 ICGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 777596053 NUEXWLQTXUCRPN-AWEZNQCLSA-N 441.487 0.134 50 20 ICGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)n2)cc1 778708183 VRDNANPZRZQUEH-UHFFFAOYSA-N 425.449 0.539 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 784003374 VIMXRZFQGGIJAQ-UHFFFAOYSA-N 436.831 0.432 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNc2cccnn2)c1 784857936 ACUVTWUQJGDYKO-UHFFFAOYSA-N 435.510 0.655 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 786299326 PGKCZIOCOGRJTM-LBPRGKRZSA-N 430.483 0.372 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 790066408 REIWTCVIZKVYDW-UHFFFAOYSA-N 434.540 0.302 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 799835551 RVNFAOSAOFDTTL-UHFFFAOYSA-N 447.517 0.797 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)cc1 802066771 YQOFAACCHLDZKF-UHFFFAOYSA-N 432.506 0.460 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNc1ccc(-n2ccnc2)nn1 804956400 MBTUYKUXXHWLFB-UHFFFAOYSA-N 449.518 0.431 50 20 ICGD CC1(C)CC(=O)c2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)ccc2O1 807004455 MOAUDYPEVPPOFF-UHFFFAOYSA-N 428.401 0.539 50 20 ICGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccc2ccccc2c1 812874991 KSYWOSWRQIFYOM-KRWDZBQOSA-N 432.502 0.819 50 20 ICGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816829711 BHPJELGZJXEZDE-IRXDYDNUSA-N 430.486 0.438 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CC1CC1 819132106 ZLZSHDQMONBZAW-CKDIWJPDSA-N 443.547 0.328 50 20 ICGD C=CCNC(=S)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916125350 LMNMHWVCPPXKJM-AWEZNQCLSA-N 442.563 0.634 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc(OC)c1OC 916257831 DBYUJTNFDNZBHM-MRXNPFEDSA-N 437.541 0.928 50 20 ICGD CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1OCC(=O)N1CCCC1 918225621 ZYQSASAAGHISIH-INIZCTEOSA-N 431.493 0.748 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc4c3OCO4)nc2)CC1 919654572 OVUBBRWVDFBHKY-UHFFFAOYSA-N 448.505 0.573 50 20 ICGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921122918 ZIARFOZOYDEBSD-OAHLLOKOSA-N 441.554 0.382 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1780098025 YRJBFEDRXRQHIS-PXARDIRTSA-N 447.444 0.735 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1780098856 KAYDYLNZMBBSHE-OAQYLSRUSA-N 446.460 0.525 50 20 ICGD O=C(Cc1ccncc1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780566438 QGVSEMFCFXPOFT-NFBKMPQASA-N 437.305 0.132 50 20 ICGD Cc1nscc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782208999 GLXWDYRXIZSVOZ-OXQOHEQNSA-N 437.566 0.952 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783343065 LPEQZHQOSYHZQB-HEHGZKQESA-N 439.372 0.671 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1783354065 MWECMTNXYJFEKI-IUODEOHRSA-N 425.345 0.425 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1783530351 UPBMNSUDZZSMTK-LSFZBXBFSA-N 428.327 0.610 50 20 ICGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CBr)C[C@@H]21 1783578746 YNCHICCAKRPFDR-DGVSKKNDSA-N 432.359 0.912 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1783936445 HQOYMBPLLGINOK-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981660 YCNIQAFAYHZZNN-HNNXBMFYSA-N 425.480 0.346 50 20 ICGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(F)(F)F 1784875637 GWBRHXPMVIHSNQ-PXSXMVNOSA-N 435.212 0.970 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)[C@@H](F)Br 1789923514 RCDRCCDMFHNJMT-DOERSZECSA-N 445.289 0.949 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1791054359 CGWDHXLZGXRTLT-AJNGGQMLSA-N 434.400 0.798 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)OC(C)(C)C)C[C@@H]21 1791288079 VKBPYMBVPPBMGE-JYJNAYRXSA-N 440.541 0.071 50 20 ICGD CS(=O)(=O)CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1791987600 XHFLBHYXVCDQTE-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1793910962 RZAXNEINJDIVLY-FAQVEIGNSA-N 431.537 0.285 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncn1-c1ccncc1)c1ccc(B(O)O)cc1 1794794631 OJJPPOLNFRGXGD-FNLKRUPLSA-N 445.288 0.513 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2sccn2c1 1796112084 FOFGBVFFRGDJJB-HGKCTWBKSA-N 439.302 0.198 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc(Cl)c2nncn2c1 1797688430 PPTKOMJIZZQNNE-ZMJPVWNMSA-N 428.276 0.186 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797924272 MCFRBSOYPBRZSK-QKDZRIPBSA-N 432.359 0.912 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360446 BTZWCZVMNWLSRK-RXVVDRJESA-N 439.321 0.896 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](Cl)COC)[C@@H]1c1cccnc1)C(=O)O 1813030046 CWLVUDJOENUERH-ANQUJSFKSA-N 426.901 0.404 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1 1813071200 PSUNCVLRJHZZAT-UWJYYQICSA-N 427.509 0.357 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075262 ZRHZOSYNMHYBSA-HGHGUNKESA-N 432.569 0.801 50 20 ICGD O=C(CCc1cn[nH]c1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350051 FJAPADAQGCPVOE-HNNXBMFYSA-N 439.306 0.405 50 20 ICGD Cc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)on1 1815354798 FMBZBBHPVMZWJP-ZDUSSCGKSA-N 426.263 0.659 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817470222 MUJVOWSCHHRHAV-GOSISDBHSA-N 434.265 0.428 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)c1ccc(B(O)O)cc1 1817470857 JGIMFYBKCCYOBW-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474077 LHBIGYKIKCYADC-KRWDZBQOSA-N 441.297 0.310 50 20 ICGD CN1CCC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1820723599 ONCOCXHZBXHNFS-QFBILLFUSA-N 439.325 0.737 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cncc(O)c1 1822230879 GNYDFMNAHHIRND-GOSISDBHSA-N 435.249 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc[nH]2)CC1 1828925498 NFDQNKQMTMCCSX-GOSISDBHSA-N 425.493 0.955 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830543602 WBSZPFOGUXYRHA-SJCJKPOMSA-N 429.315 0.819 50 20 ICGD O=C(CCc1ccc(F)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719292 BPDSLCXPEPAWIJ-XLIONFOSSA-N 446.878 0.954 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 1830726981 YQYHWOWLIOZIMF-DXAFIFDOSA-N 440.846 0.775 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831658285 SZAOUBAOOKLTAL-OXJNMPFZSA-N 429.945 0.863 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831737264 WFRPPGUZVGZNPK-ZBEGNZNMSA-N 429.271 0.036 50 20 ICGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n1 1833080880 RMMLOILZFRKBQY-KSSFIOAISA-N 443.342 0.679 50 20 ICGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1833387626 HPXAGQZYOWMDAH-HNNXBMFYSA-N 449.321 0.701 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497549 NNJYTBZXWPWVRT-SGTLLEGYSA-N 426.857 0.262 50 20 ICGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)c1ccccn1 1835705108 GOMJUKIMZXTNTJ-ZQIUZPCESA-N 445.289 0.228 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797805 DOHFHBLMBWDYPX-ZBEGNZNMSA-N 447.355 0.969 50 20 ICGD CC(C)O[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919073 BCXTVDCPWVAPCE-KRWDZBQOSA-N 446.353 0.792 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838024757 NGFOMWATDDDQBS-KXBFYZLASA-N 428.917 0.788 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)nn1C 1838276097 JBHZPOMPKLLPOF-YOEHRIQHSA-N 447.305 0.743 50 20 ICGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1838279615 JJSBKBNXSRLRHI-UGSOOPFHSA-N 443.342 0.836 50 20 ICGD O=C(c1cncc2cnccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838460913 QPRQXSQDGZQWPE-FXAWDEMLSA-N 434.880 0.300 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839241091 BBDOGBPNLKDIPC-NVXWUHKLSA-N 447.305 0.716 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839436388 RGOMRDDBLOTXKP-QFBILLFUSA-N 437.859 0.872 50 20 ICGD C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186082 ZEHGMYNZUQZPHF-SFHVURJKSA-N 432.468 0.027 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840366710 XZUZKQDMJLOMCL-KZULUSFZSA-N 431.320 0.775 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846342022 PNIQZXOHWPJNBG-JKSUJKDBSA-N 441.488 0.258 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385251 IQWKUMMXJHSILX-UHFFFAOYSA-N 441.492 0.630 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1846475607 ZMAFCIKFGNUPSP-UHFFFAOYSA-N 436.273 0.213 50 20 ICGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)NC1CC1 10213644 FXVLVSNTQMNOBN-UHFFFAOYSA-N 448.545 0.392 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 725873514 NHIGVAZBGBNQFQ-INIZCTEOSA-N 431.518 0.882 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 728729965 WYFOUYWKNXFVJY-UHFFFAOYSA-N 442.475 0.076 50 20 ICGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O 729299259 CWVVCLKAXDOBNL-NSHDSACASA-N 430.914 0.786 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1cc[nH]n1 730102429 CAKPWKVFUMLAMU-UHFFFAOYSA-N 430.284 0.231 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1 733260389 CXDXRWZBIJQHFZ-UHFFFAOYSA-N 431.493 0.715 50 20 ICGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 741648842 OXZUIYUGSGRQKR-UHFFFAOYSA-N 441.535 0.872 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NN=C(c2ccccc2)c2ccccc2)c[nH]1 742243550 KKQBBAXBLDOYOL-UHFFFAOYSA-N 425.470 0.961 50 20 ICGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 743551404 CWKFVSDSBVRJSJ-UHFFFAOYSA-N 435.528 0.097 50 20 ICGD N#Cc1ccc(NNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1C(F)(F)F 748628965 ILYVNGSDORJBQX-UHFFFAOYSA-N 430.368 0.426 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)nc(C)n1 749617562 ZQWDHNWVAMXHCQ-UHFFFAOYSA-N 436.480 0.682 50 20 ICGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 749688313 LSHSHLMVEQOUPK-UHFFFAOYSA-N 449.431 0.097 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 751564213 UUWMKLCCSZUYJT-STQMWFEESA-N 443.909 0.149 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 753104201 JELSBRKKGUUECI-ZDUSSCGKSA-N 428.511 0.710 50 20 ICGD C[C@@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756003778 WMRBPKOIRMIJLS-NSHDSACASA-N 432.868 0.113 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 757996931 FRFXFWYBDZQAPK-VIFPVBQESA-N 425.858 0.488 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 758158715 OGSVRLPREZPOMV-CYBMUJFWSA-N 435.930 0.827 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763711286 GSJAIXSMTODRFZ-UHFFFAOYSA-N 427.396 0.529 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 763860427 GWSDACBIFDJAGL-NSHDSACASA-N 432.408 0.877 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 764001941 HEAOKFMVCKLTRT-CQSZACIVSA-N 441.469 0.522 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n[nH]1 764106297 HSCAFICIXIADTM-UHFFFAOYSA-N 440.457 0.334 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 764226678 KLUMVKFNOHEURB-ZDUSSCGKSA-N 425.511 0.091 50 20 ICGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764278411 YKBYGZYIFRGZJH-UHFFFAOYSA-N 426.429 0.758 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 764286382 SSSUQQUIDULUPB-UHFFFAOYSA-N 438.419 0.807 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br 764399096 YYGFCRGARNPYBG-VIFPVBQESA-N 447.242 0.803 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1Br 764431339 BLXSPDBBNQLWEL-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 765881765 TWFCYRKFJLSTEP-ZDUSSCGKSA-N 447.539 0.567 50 20 ICGD Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)n1 766636716 SFFNFXZPXRDPEY-UHFFFAOYSA-N 438.410 0.658 50 20 ICGD CC(=O)c1cccc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 766644640 AVBRFHTVFQQTMG-UHFFFAOYSA-N 438.484 0.873 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 766968794 WHWLHELDIAMRKC-UHFFFAOYSA-N 431.430 0.366 50 20 ICGD CN1C(=O)C[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)[C@@H]1c1ccc(Cl)cc1 768989425 XQVRUDMQCFNLIA-BBRMVZONSA-N 430.852 0.976 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 772193678 YWELZWYKPKHNJV-UHFFFAOYSA-N 443.807 0.906 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 775461876 UMYLSLZWRQUIGB-HIFRSBDPSA-N 442.542 0.374 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)nc1C 778428027 HDSCNWBDTGAFBC-UHFFFAOYSA-N 448.505 0.901 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1S(N)(=O)=O 787715860 YGWWDHQJZSKBBD-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 792266358 QGQUBEHFDIJWPS-OAHLLOKOSA-N 433.852 0.516 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792628337 HAWFPTVPBFOWPU-SFHVURJKSA-N 442.394 0.886 50 20 ICGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)ccc21 799263744 VCCUZCDKUNHIIZ-KXBFYZLASA-N 438.440 0.700 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)cc1 801108587 PIIHANNMLFTLAS-KRWDZBQOSA-N 425.424 0.999 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 802056880 FHNPARLRIRCYOI-LBPRGKRZSA-N 447.473 0.548 50 20 ICGD COc1cc(NC(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 802080541 HOPLKNZHMMJQNF-JTQLQIEISA-N 434.902 0.629 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 814100663 PZRCSWLFTOULLI-LLVKDONJSA-N 428.186 0.626 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 815692539 UAMBFGNQKXUMSX-LBPRGKRZSA-N 443.464 0.974 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815693516 ZZNMNJQISUUKBD-ZDUSSCGKSA-N 444.448 0.200 50 20 ICGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 816810555 QDXCYDMIWSWITC-UHFFFAOYSA-N 443.279 0.640 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 879617718 NIBXFIICCWLCDS-NSHDSACASA-N 427.417 0.661 50 20 ICGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1 915357559 XEIMFABNIXCCRR-INIZCTEOSA-N 434.474 0.572 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cn2)CC1 916245477 BPADTFYTTFKYRE-GOSISDBHSA-N 426.477 0.504 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 917104267 UGRFIYHKTQXCMS-UHFFFAOYSA-N 446.895 0.426 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 918056333 HJJLRFPAOLIXRN-UHFFFAOYSA-N 429.385 0.653 50 20 ICGD CCCn1nc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc2c1=O 918549070 PORFHTZPDLDMOG-CQSZACIVSA-N 449.533 0.629 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 919820439 ANKRETWIHHMHBV-UHFFFAOYSA-N 436.490 0.058 50 20 ICGD CCCCc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919887266 YXDGZVHRGKACDY-JKSUJKDBSA-N 436.534 0.900 50 20 ICGD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212894 YGSYPNJAVBBBNR-OAHLLOKOSA-N 446.485 0.726 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 920275401 BTHMHKDRQXJNCY-UHFFFAOYSA-N 432.458 0.977 50 20 ICGD Nc1cnnc(NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1Cl 1116926925 RMFGWMNNDUDWTH-UHFFFAOYSA-N 430.849 0.629 50 20 ICGD O=C(NNC(=O)c1cncn1-c1ccccc1)NC1CCN(S(=O)(=O)C2CC2)CC1 1319172993 SICFIZRUPAKWHZ-UHFFFAOYSA-N 432.506 0.773 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1341796827 UFDMKGNOOCKNNS-JCGVRSQUSA-N 429.470 0.660 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779326259 ZWGYYETVQYYLMX-HNSFDTNUSA-N 447.374 0.991 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782717158 BXGFEVONFCDTSK-LJQANCHMSA-N 434.204 0.195 50 20 ICGD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C[C@@H]21 1783961611 FZANFBGEKMALPX-KUZCPNRJSA-N 449.460 0.884 50 20 ICGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Br)CC)C[C@@H]21 1787409613 DBOGSOVJBQENMG-HPCHECBXSA-N 433.347 0.587 50 20 ICGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788490947 FGMHINQNMPCIMD-MAWLBIMSSA-N 427.336 0.815 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588822 PEFHQPPDCPYXHL-AJNGGQMLSA-N 426.901 0.948 50 20 ICGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CC1 1790722161 CIMYQKZPARNRAU-ZDEQEGDKSA-N 435.290 1.000 50 20 ICGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791312721 PJFJTIXYULLECT-KBIXCLLPSA-N 448.211 0.335 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1 1791601212 WUXVSVCNSWZNBY-UHFFFAOYSA-N 426.477 0.891 50 20 ICGD CC(C)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(C)C 1796171112 RUCLKOMBFIXOIA-RCJHGTSTSA-N 430.553 0.960 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(F)cc1 1800798015 FTRBKPZVNHBCOG-FAQVEIGNSA-N 434.512 0.721 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccn(C)c13)C2 1801011227 CDFDXWKRPUYZAG-UPHUGPLXSA-N 441.532 0.755 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnc1C 1801348748 ZYJXHRGTRCZQJG-XTUBRDOVSA-N 425.493 0.964 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801353895 DBKINVJZUXYONH-RAJOQWNJSA-N 429.521 0.448 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)nn1C 1805589960 LGSMKNQFBHXGAG-RXVVDRJESA-N 447.304 0.437 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cnn1C 1805924601 HJEBPHDRZXCWBJ-RXVVDRJESA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)c2ccco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365255 MKLIQDLTVNFESB-IOMROCGXSA-N 449.272 0.408 50 20 ICGD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCCN1 1807372582 GXVPDSHKNXZBAM-JXHRLWIKSA-N 436.321 0.223 50 20 ICGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1810648130 SOWGWCPIDOJESR-GHTZIAJQSA-N 447.304 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nc2)[C@H]1c1cccnc1 1811465813 QWENRPUNMGVQBQ-HRAATJIYSA-N 440.504 0.875 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814807650 AMHIIWJBGGRMEV-OMQMVUIESA-N 436.365 0.884 50 20 ICGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)o1 1815495050 OVHYHYPPZMKJFG-LLVKDONJSA-N 435.510 0.362 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n[nH]1 1819988201 QHHZOLYWQVLMQO-AWEZNQCLSA-N 439.306 0.323 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)[nH]n1 1822410232 CAJIPXCIHQKZAT-HNNXBMFYSA-N 446.512 0.383 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1824469257 SZGSTQMSJULZJC-GDXASINISA-N 442.306 0.089 50 20 ICGD Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)no1 1827056222 RTUBSGVZOCJTOU-LJQANCHMSA-N 440.309 0.534 50 20 ICGD O=C(c1cc(-c2ccncc2)[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730715 CGQREQYWZAMDLQ-FXAWDEMLSA-N 449.895 0.141 50 20 ICGD Cc1c[nH]c(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830894912 HTLQJPAVUNUUAJ-YLJYHZDGSA-N 427.929 0.620 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831657636 PSNBDESFNRANGO-HNAYVOBHSA-N 426.901 0.719 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1C[C@H]1C1CC1 1833246356 FLGVYLJPZIJILZ-FCHUYYIVSA-N 439.365 0.598 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C3CCC(CO)CC3)CC2)CC1)[C@@H](O)CCl 1833307869 BTMNRLOXTAKZHN-RJYAGPCLSA-N 429.989 0.956 50 20 ICGD CCOc1ccc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)nn1 1833313514 IRBWHAWQJZIVJG-QGZVFWFLSA-N 439.944 0.660 50 20 ICGD C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(F)(F)F 1834819663 SPLBWHHXHSMDTL-KBPBESRZSA-N 447.248 0.541 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835947825 SFGUBTWPAKYJPE-KBXCAEBGSA-N 430.910 0.884 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1836072757 RNJDJPJTRRMBJL-ZFWWWQNUSA-N 435.250 0.067 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838434283 QARSTEKZCMCYEF-QZTJIDSGSA-N 447.960 0.390 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839150713 VIHQANBVSRKMBR-IAGOWNOFSA-N 433.292 0.489 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc(O)cc1 1839167304 PKLLRKHGAXTNHE-GZRFBZBPSA-N 426.897 0.552 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)on1 1839199395 VVYRYLSRJBEFTA-HOCLYGCPSA-N 434.262 0.672 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839963803 WSAHWGSMFCPBEU-WMLDXEAASA-N 427.299 0.720 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840036053 CWRBYDZJXODHBH-IAQYHMDHSA-N 439.328 0.044 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1841654682 FRIFQAMMVIKBGS-STQMWFEESA-N 430.933 0.833 50 20 ICGD O=C(c1cnc2c(Cl)cccn12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011096 PUAWLQYCPFVGHO-UHFFFAOYSA-N 438.680 0.798 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](Cl)COC)C2 1843384932 QXOAPCTYUQEAKD-KGLIPLIRSA-N 433.933 0.983 50 20 ICGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1846072728 OMFIASRQTPNPLT-HUUCEWRRSA-N 440.342 0.834 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846178343 QNGRJVTZXCANIE-LLVKDONJSA-N 441.351 0.878 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2ccccc2[C@H]1O 1847601487 RRRKIRWZMQJZNK-MDPIYQRISA-N 428.533 0.857 50 20 ICGD CC(=O)N1C[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)Oc2ccccc21 12804611 ANPHRBZILAHUCK-INIZCTEOSA-N 431.474 0.555 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccccn2)c1 27339698 ONEWXYUPENZWAU-UHFFFAOYSA-N 433.490 0.243 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1n[nH]c(=O)c2ccccc12 109905518 NNSXPHOBPCHICY-ZDUSSCGKSA-N 447.498 0.599 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 725871083 FZSWCXYBPRXZHR-UHFFFAOYSA-N 429.433 0.012 50 20 ICGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O 726654034 JTBHJQCZTNXGIM-LLVKDONJSA-N 436.852 0.897 50 20 ICGD CCOc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1O[C@H](C)C(=O)N(C)C 728437312 PZTIQUVSZPKOPS-QWHCGFSZSA-N 428.511 0.329 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cccc(OC(F)F)c1 728712894 IBAUYKHKHVEIRL-UHFFFAOYSA-N 425.436 0.882 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 729229861 AUMQAWPHXZLAGJ-UHFFFAOYSA-N 448.461 0.280 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 729274859 FXXBVGXOFGBAJZ-LBPRGKRZSA-N 440.503 0.186 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 729946557 ILLMCIBGKOLFRV-UHFFFAOYSA-N 442.384 0.633 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 731179230 YXMQYFXGFWEOOS-SSDOTTSWSA-N 442.269 0.102 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 743632268 LOZSAMFUSNAURJ-UHFFFAOYSA-N 442.400 0.737 50 20 ICGD COc1ccc(CC(=O)NCc2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)cc1 748239084 DIIMXFFTFBJCTB-UHFFFAOYSA-N 438.484 0.938 50 20 ICGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CCSc2ccc(F)cc2)CC1 749354874 XXCGPPHSAHTWOV-UHFFFAOYSA-N 447.558 0.216 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1C 750661336 PURDTVBEXGXDBX-CQSZACIVSA-N 439.494 0.509 50 20 ICGD COc1cccc(/C=C(/C(=O)NNC(=O)CNC(=O)c2cccs2)n2nnnc2C)c1 751209084 KUGIOAVESAKUAG-GDNBJRDFSA-N 441.473 0.627 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc2c1OCCO2 751263976 RSBIZAZAMNAVRP-UHFFFAOYSA-N 440.503 0.683 50 20 ICGD COc1c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cnc2c1cnn2C 752367659 UHIBXGBRRFSBKP-UHFFFAOYSA-N 428.361 0.503 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1ccc[nH]1)N(S(C)(=O)=O)CC2 753136641 OPUNYFSWWXXZEX-HNNXBMFYSA-N 436.490 0.742 50 20 ICGD Cc1cc(C(=O)NNC(=O)Cc2ccccn2)cc(C(=O)NNC(=O)Cc2ccccn2)c1 753139728 MAGZYNCWIQCEEH-UHFFFAOYSA-N 446.467 0.792 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 758029446 LIXONZWHHMHSCN-ZETCQYMHSA-N 428.692 0.566 50 20 ICGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 763439392 NZDOBCPIJHZXCW-UHFFFAOYSA-N 428.467 0.746 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 763569788 BRTYMBBSJQQEGN-CYBMUJFWSA-N 440.334 0.949 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572176 PWEHOJIGRFONTM-KRWDZBQOSA-N 442.428 0.811 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)Nc1cc(-n2cnnn2)ccc1F 763603571 DHMZWEONERGNNL-UHFFFAOYSA-N 435.379 0.591 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 763681355 KQGYOEDXAVJDEE-UHFFFAOYSA-N 435.440 0.846 50 20 ICGD COCc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763717903 CHQPUTLOSARFFS-UHFFFAOYSA-N 434.474 0.483 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c(OC(F)F)c1 763892181 AGQUGMBUCZKOKK-UHFFFAOYSA-N 439.375 0.674 50 20 ICGD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921240 KCKMKUOTCOPALC-UHFFFAOYSA-N 434.460 0.971 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C 764076694 FHRNSVUYWJOBCN-UHFFFAOYSA-N 433.442 0.585 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 764165451 ZABAZCDHTCZVRH-GOSISDBHSA-N 438.440 0.249 50 20 ICGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764166039 FDNNLVNJAVVTCS-UHFFFAOYSA-N 446.485 0.682 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(OC)cc1OC 764286440 JFXSXWWHKBETDH-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 764397635 AUAHYNUFUNLSPN-ZDUSSCGKSA-N 434.424 0.173 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 764425181 NODUGQSYMJCXHK-ZDUSSCGKSA-N 427.339 0.392 50 20 ICGD CCn1cc(S(=O)(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 765120129 YVXVPFPEICJIKV-UHFFFAOYSA-N 440.957 0.684 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)NC2CCCCC2)CC1 766872528 FMRRXTJBHMLKAY-UHFFFAOYSA-N 429.565 0.751 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 767189830 YIUGPCSQZBJLAW-OAHLLOKOSA-N 427.933 0.844 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CN(C)CCO1 770433644 BOLDAHCBXPWRGF-YOEHRIQHSA-N 439.538 0.134 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 771893428 JRHNGKMIYKAKPV-CQSZACIVSA-N 441.506 0.446 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1nc(C)cc(C)n1 773474064 PGZPHIRCQHPPST-UHFFFAOYSA-N 428.449 0.798 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778433265 IEACDTMMTHIYDA-UHFFFAOYSA-N 443.526 0.485 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cn(C(C)(C)C)nn3)CC2)cc1 790166428 FOSIZTVJHVGFJE-UHFFFAOYSA-N 447.565 0.798 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 800757279 WVGXHVZOMUUSNI-UHFFFAOYSA-N 430.486 0.925 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)Cc1cn2ccccc2n1)C(F)(F)F 805768365 YUPYMAGRHQQTBW-LLVKDONJSA-N 436.416 0.030 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)CCc1ccccc1O)C(F)(F)F 806566472 HOUHPYLHGJNDHD-GFCCVEGCSA-N 426.417 0.478 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3ccccc3n2)cc1 810516812 HWERWVYGCYRUMY-UHFFFAOYSA-N 445.457 0.934 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2Cn2cncn2)cc1 813033519 XJXFPEBURNXANU-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD O=C(NNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1O 821124553 YNHUTKLJXKRGJF-UHFFFAOYSA-N 433.442 0.269 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)s1 849194030 SIAXCISQNIZCFL-STQMWFEESA-N 449.576 0.039 50 20 ICGD O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[C@@H](B(O)O)C1 864233067 FLCMHLIZDKSHNE-QWHCGFSZSA-N 445.144 0.925 50 20 ICGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 917529742 UDCPIOPUQPPUSP-MRXNPFEDSA-N 436.534 0.881 50 20 ICGD O=C(NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919889863 VQWPORUGOCJHGF-DLBZAZTESA-N 430.486 0.675 50 20 ICGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1 1339534511 ZPKHJZGFWNVSQJ-NRFANRHFSA-N 436.509 0.702 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1341796852 UFDMKGNOOCKNNS-ZJNRKIDTSA-N 429.470 0.660 50 20 ICGD Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)cn2[nH]cnc(=O)c12 1778029627 DOJSGXDKSQVLBM-FRIZHTMISA-N 439.875 0.993 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2)[C@H](F)Br 1780777019 KHEKWQBGWVBQAT-IVMMDQJWSA-N 432.294 0.873 50 20 ICGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)(C1)C2 1781333696 IRXVIKQTQZYLCM-YHHLXUBKSA-N 433.274 0.850 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H](O)CC2)C1 1782322467 BFUYFRJGNQDZNO-UGTJMOTHSA-N 444.337 0.045 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Br)Cc3ccccc3)C[C@@H]21)C(O)O 1783871470 LODUIWCWDSYCSV-VGWMRTNUSA-N 441.322 0.283 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1785340290 SOUFUQXTVDWABC-KSMMKXTCSA-N 433.933 0.719 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNc4ccccc43)C[C@@H]21)c1cccc(B(O)O)c1 1786984313 CGTOCUZUILUJMQ-CJFIXGCPSA-N 449.316 0.169 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)Cn3cnnn3)cc2)CCC1 1788263175 FISPDZJYBWHLRZ-UHFFFAOYSA-N 435.448 0.120 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2nc[nH]c2c1 1788329079 WOLZJWHLJHBROQ-MDKPJZGXSA-N 448.288 0.150 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccn1 1791291079 LAXYKZSMMWWKBI-ULQDDVLXSA-N 433.509 0.057 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2)[C@@H](O)CCl 1792978251 MSTJNVIRGYCWFI-VAECKANCSA-N 427.288 0.791 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796428115 IPGOSTXWLALQAC-IQMQYZSSSA-N 447.355 0.162 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796428719 IPGOSTXWLALQAC-UQPICLANSA-N 447.355 0.162 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)no1)C2 1796441021 KPKAWRCVYNQMAH-MGRLTOJPSA-N 428.449 0.320 50 20 ICGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800756844 DSNSMBIQUNKBMU-GUIRCDHDSA-N 429.315 0.516 50 20 ICGD C[C@H](Br)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1812867571 JPZRVCDDMCVENN-WRSAYESZSA-N 449.305 0.796 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813075019 WWZBOFGURLNHQX-DYESRHJHSA-N 442.524 0.142 50 20 ICGD CCn1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470784 GWUPTXZSRHZGLB-GOSISDBHSA-N 436.281 0.926 50 20 ICGD Cc1ncncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1819864845 LQTZSOPWBBREKA-GOSISDBHSA-N 434.265 0.808 50 20 ICGD CCOc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829544898 CRJORCJJICHULK-OXQOHEQNSA-N 441.912 0.804 50 20 ICGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)Br)CC2)N1 1830377111 UOFASTOCFAZXQP-SGMGOOAPSA-N 447.305 0.895 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc1 1832987490 QFPOMVFFLZAKDK-FXAWDEMLSA-N 425.913 0.379 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123231 CGYFPFGTTRAAPG-GUYCJALGSA-N 427.299 0.259 50 20 ICGD CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)cn1 1833893859 OQEPPFSNTZJLIO-XLIONFOSSA-N 425.913 0.968 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834826422 PNWSONZTPFYHDB-YJBOKZPZSA-N 443.342 0.994 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835454599 GNPLGTHSYZTUJG-QMFLXTPQSA-N 441.435 0.232 50 20 ICGD COC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734438 HVKYHVIXFCLBKW-UHFFFAOYSA-N 446.552 0.295 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc[nH]3)CC2)CC1 1835738135 VAEWKMLGRZXTSS-UHFFFAOYSA-N 439.520 0.512 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836397263 WSOUJKMQHWZEJN-YLJYHZDGSA-N 430.977 0.226 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493344 AHWAKSMWSSKSEI-LAUBAEHRSA-N 442.940 0.395 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837691183 IMQMQYYFPYUXSX-TWOQFEAHSA-N 441.912 0.120 50 20 ICGD CCSc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838846432 UNPQQRDJPHFMPS-LIRRHRJNSA-N 443.953 0.863 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839146488 ZSOYKLOPGBYARP-XOHYCUHISA-N 431.917 0.989 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149868 URNPPVVOPAANBL-OLMNPRSZSA-N 438.352 0.594 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc(O)cc1 1839167306 PKLLRKHGAXTNHE-NQYLQCIDSA-N 426.897 0.552 50 20 ICGD O=C(c1cccc(F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200154 GJRPKPOOQQPHFJ-XJKSGUPXSA-N 434.237 0.981 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756232 NKAFZRDVXMVZCG-IXOWOOARSA-N 435.456 0.079 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188584 RGKCZRYIAPXHLO-ZDUSSCGKSA-N 437.198 0.352 50 20 ICGD COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840234653 YPZLGSFOAZJFNZ-DNVCBOLYSA-N 434.917 0.166 50 20 ICGD O=C(CCCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840510087 KIMOVNHXHSCPQY-XLIONFOSSA-N 425.913 0.460 50 20 ICGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672694 HPIDDXKRDUFVGY-GFCCVEGCSA-N 434.294 0.938 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847046235 VVWNBCBGUCGFLA-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 14371457 IDDQSOXYQPCYLH-AWEZNQCLSA-N 447.467 0.602 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc(N2CCOCC2)n1 16098537 FHDHTPGZIWDZNU-UHFFFAOYSA-N 426.476 0.374 50 20 ICGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 21967765 WSSXSZNLXJBXMA-UHFFFAOYSA-N 425.492 0.010 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2C1 29385809 LADROVABNDYMJP-JTQLQIEISA-N 427.486 0.893 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n(C)c1 105279437 KLKJJXJESXUXAT-UHFFFAOYSA-N 436.490 0.902 50 20 ICGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)ccc1OC(C)C 109633016 OHKKHOFIXFSYLC-UHFFFAOYSA-N 444.510 0.088 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ncccc1O 725878086 QKNKRVWPLOLGPJ-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc(-c4ccccc4)no3)cc2)CCN1 728080244 BUKPEUQWNRTUTA-UHFFFAOYSA-N 442.457 0.614 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1COc2ccccc2O1 728261895 YHXODPJXUQVMQY-HNNXBMFYSA-N 437.386 0.516 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)C1 730033510 AQMOQGAHZFJNQQ-MRXNPFEDSA-N 449.533 0.913 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 732476823 YBMDYTZCBRFRHH-KRWDZBQOSA-N 445.545 0.752 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2)c1cnn(-c2ccccc2)c1 733123338 ZKSROAXXFACRMX-UHFFFAOYSA-N 444.425 0.965 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(=O)n(C)c1=O 735040258 QXRZCGSBVSFEDU-FQEVSTJZSA-N 447.495 0.472 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 739670577 JSRNQDRIWOIICV-QMMMGPOBSA-N 444.272 0.035 50 20 ICGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(-n2cnnn2)cc1 740740718 ZJTSHFUVRFMAAX-WJOKGBTCSA-N 442.457 0.392 50 20 ICGD Cn1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1=O 747941388 CCNUMWLSAFASKG-UHFFFAOYSA-N 431.518 0.813 50 20 ICGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1 751112010 QRJBTPQJLOBONJ-UHFFFAOYSA-N 429.529 0.915 50 20 ICGD O=C(Cc1ccc2c(c1)COC2)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 754001175 YZFJKKLZIRECIB-UHFFFAOYSA-N 445.497 0.741 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 755028163 MLOAYRHQFDOAHU-HNNXBMFYSA-N 430.373 0.776 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755658638 ZZHJGZPLIDVOKV-ZDUSSCGKSA-N 426.495 0.521 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(S(=O)(=O)CBr)CC1)C2=O 758527515 LVYAZXDZLJJMIO-UHFFFAOYSA-N 444.307 0.417 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)C2)cc1 758841326 XZHCFUROLBZUMY-HNNXBMFYSA-N 445.501 0.577 50 20 ICGD Cc1nnc([C@@H](C)NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 760143503 WHDYYVYBCTWVGG-LLVKDONJSA-N 440.555 0.565 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1ncc(F)cn1 760912639 UGAHHPQSVBMOLN-UHFFFAOYSA-N 425.442 0.979 50 20 ICGD O=C(COC(=O)c1ccnc(Br)c1)NNC(=O)[C@@H]1COc2ccccc2O1 762942362 UPMWSVIAOURMIQ-ZDUSSCGKSA-N 436.218 0.988 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 763159250 SWBOPRWYNCMFTJ-JRVDLRMISA-N 429.458 0.450 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)c1 763527116 GJTBBTCQLDUBBD-UHFFFAOYSA-N 441.488 0.864 50 20 ICGD O=C(NNC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cnn(CCN2CCOCC2)c1 763786156 WKXDDIYEJILNKO-UHFFFAOYSA-N 432.506 0.165 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)ccc1OC(C)C 763921869 QJZBCVSSOWOJHT-UHFFFAOYSA-N 432.481 0.640 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCc2cc(Br)cc(F)c21 763996619 FGZVMYMJMNGICX-VIFPVBQESA-N 448.270 0.059 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764035010 QREIHTPOCHPONC-GFCCVEGCSA-N 446.485 0.758 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1 764041577 XOQQYQFFTJUEIU-UHFFFAOYSA-N 442.428 0.388 50 20 ICGD Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227678 PVMARIHCJLYSEX-ZDUSSCGKSA-N 434.474 0.811 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccc(OC(F)F)c1 765405993 KJMSCUHLUVFLIH-UHFFFAOYSA-N 448.430 0.968 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)n[nH]2)cc1 765574584 APXMQUQOPYCGLM-UHFFFAOYSA-N 437.522 0.745 50 20 ICGD Cc1c(Br)cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(=O)n1C 768924999 RPKDTEJLZVBDAM-UHFFFAOYSA-N 447.245 0.946 50 20 ICGD C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)N1C(=O)c2ccc(Br)cc2C1=O 769654670 SZAZFXQVIBYBGF-SSDOTTSWSA-N 433.222 0.466 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)COc1ccc(S(N)(=O)=O)cc1 774903932 OMIQVKMASNDHOJ-LLVKDONJSA-N 427.866 0.981 50 20 ICGD Cn1cncc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 776324257 ZGYCCEYDLPLHIV-UHFFFAOYSA-N 427.486 0.902 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NN=c1cc[nH]cc1 780760861 HHZBIYVXJSFLJB-UHFFFAOYSA-N 431.474 0.729 50 20 ICGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 782120020 CXBKNQBJSXNMNT-UHFFFAOYSA-N 429.418 0.219 50 20 ICGD O=C(NNc1ccnc(F)c1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 784852063 RBBWNUBJICBYOS-UHFFFAOYSA-N 441.416 0.463 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc([N+](=O)[O-])ccc3O)cc2)CCO1 785024019 QJMMPABRHQDQID-LBPRGKRZSA-N 443.416 0.925 50 20 ICGD Cn1cc(C(=O)NNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 789308534 DQWDOOYHPCZDPA-OAHLLOKOSA-N 432.456 0.221 50 20 ICGD CNS(=O)(=O)c1cccc2c1CCN(C(=O)NNC(=O)c1c(C)nc3ccccn13)C2 790656791 QZKZHBNWEXTRMQ-UHFFFAOYSA-N 442.501 0.964 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794062114 UZYREMLRHFTDLL-UHFFFAOYSA-N 444.469 0.286 50 20 ICGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 794871590 CZOBRYNGJGKZBA-UHFFFAOYSA-N 442.837 0.883 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C 797368526 CLZBFSMBINCFJE-UHFFFAOYSA-N 442.428 0.794 50 20 ICGD C[S@@](=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369297 RZGGUEGYTGLXDM-WJOKGBTCSA-N 446.485 0.577 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NN=c2sc3ccccc3n2C)c1 798304188 UOZWPIANESMVLG-UHFFFAOYSA-N 447.542 0.852 50 20 ICGD COc1cc(NC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c(OC)cc1Cl 802081785 BVMQJLILIPYBEJ-UHFFFAOYSA-N 446.873 0.222 50 20 ICGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)N1 810387215 KYYXFNXZVZJSPR-UHFFFAOYSA-N 449.217 0.885 50 20 ICGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 810417020 COEWWVFOBTYLMW-UHFFFAOYSA-N 439.803 0.832 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)c1 815866227 UHXHQPLNVDZIRI-UHFFFAOYSA-N 447.249 0.973 50 20 ICGD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 873767306 DUVMQXDCPCYSSF-IBGZPJMESA-N 444.513 0.671 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NC(C)C 913416774 RVJXGTDOWLRVRS-QGZVFWFLSA-N 449.485 0.983 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2nnc3ccccn23)cc1 916221708 FFYYGGIEZKQXIR-CQSZACIVSA-N 445.505 0.750 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 919820358 XHRAXIIBVUCBQI-UHFFFAOYSA-N 449.485 0.525 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 919822854 OIOCNWIKRQNAHV-UHFFFAOYSA-N 431.445 0.841 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2cncn2-c2ccccc2)c1=O 1115818000 SYYQSIPPAFACEJ-UHFFFAOYSA-N 432.440 0.830 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c[nH]nc3c1)CCO2 1783934071 WJOAMUJWVURVOY-NRFANRHFSA-N 428.493 0.379 50 20 ICGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1C 1783935970 ZAYUEOCNOBJQSL-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1783937006 CSYMJTBWHORGSV-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937750 OCXKNVCHKFDAFA-IERDGZPVSA-N 433.509 0.052 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1785225318 QMCAKEPQXSLHBT-KBXCAEBGSA-N 448.900 0.272 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(-n2cnnc2)cc1 1786767759 BROFBOAYEMSSEM-OWLYRPNTSA-N 433.896 0.460 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 1787508781 UDIXGJVJGUMYRG-ARQYOALSSA-N 426.477 0.742 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3OCC4)[C@H]2C1 1787817941 FDBKIKBQURHKPN-WDSOQIARSA-N 444.532 0.588 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1790958562 VCYANSYESLLEDY-XPCVCDNBSA-N 443.342 0.748 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)Cl)[C@H]2C1 1791425896 GDNPXTOGGQXOFC-QGMKZSGCSA-N 445.854 0.932 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)cc1F 1792649444 YPSJJUZCWONWAG-HBCWATKFSA-N 446.671 0.676 50 20 ICGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792868855 SAILEFQSJFWUEH-NRWUCQMLSA-N 425.345 0.042 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792974768 BUYYBPVOPMSWBM-CRWXNKLISA-N 433.933 0.479 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1794141986 IKPXKFOFJYRBMG-OPDFLTKYSA-N 441.916 0.633 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]n1)NC(=O)NCc1ccccc1 1796494517 VUEFBJPWYXRUPA-BJWYYQGGSA-N 440.508 0.403 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCc1[nH]cnc1C 1797664371 LYALICLNDBQRCD-LOUJCGABSA-N 430.958 0.795 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ccoc2cn1 1799878451 FWFFNOZYHDLKSW-CWPLJXCYSA-N 435.245 0.025 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1800756105 GBUCOFXTDFSAIC-DOFKHENGSA-N 425.327 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@@H]1c1ccccc1 1800924143 QPHJVEPFNZRXNU-WQIFRTTPSA-N 434.301 0.373 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccc1C 1801011879 OUTXQLCWZXFIID-UPHUGPLXSA-N 432.521 0.580 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)C1 1801051894 JRAXHAOZZIGPMX-QEAYJNAZSA-N 449.907 0.482 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806002885 KEQIWDIRXUDCGM-MRXNPFEDSA-N 427.505 0.568 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367902 OLKZIVOIHADZFE-DENIHFKCSA-N 438.337 0.421 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)Cn3cncn3)C2)CC1 1810142440 NORMMSIBFXUSJP-PCLIKHOPSA-N 440.508 0.643 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1c1cccnc1 1813071841 YRAWNXZAEOOGIJ-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C13CC(F)(C1)C3)CC2)c1ccc(B(O)O)cc1 1815337322 RLQVRNRXIIXZNQ-LJLKPOLSSA-N 429.282 0.941 50 20 ICGD COc1nccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1816160636 KYOAUBGDVMGNFQ-CQSZACIVSA-N 444.496 0.887 50 20 ICGD Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cccc1=O 1817473472 VPOLATGBKUEVNL-KRWDZBQOSA-N 449.276 0.408 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCn2ccnn2)n[nH]1 1822812794 GQEMJRQQQWTFQK-OAHLLOKOSA-N 431.501 0.457 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)nc3cccnn23)CC1 1829618109 RZGKORMOKMIURI-DOTOQJQBSA-N 447.923 0.923 50 20 ICGD COc1cc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830733742 SIKKUCKEWZNGSD-DNVCBOLYSA-N 448.850 0.643 50 20 ICGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834423773 ZIAXEORWIZJGQO-UHFFFAOYSA-N 433.347 0.699 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1836395301 FBCBWEVRDIBQCT-HNNXBMFYSA-N 438.893 0.300 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1837711608 LSLBSOIZNTVOOG-ICSRJNTNSA-N 436.585 0.389 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718131 YDCNRWFYTHRUIT-PXNSSMCTSA-N 443.617 0.599 50 20 ICGD CC[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845160 RGHDWZAPCMXBTM-CQSZACIVSA-N 432.363 0.642 50 20 ICGD CC(C)N(C)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920763 CFTCSBMVLAPNIP-UHFFFAOYSA-N 445.369 0.319 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c(O)n1 1838674588 MSDAIJHDMUJXDA-UGSOOPFHSA-N 442.310 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1838786294 NBQJINFXTLXJQC-XJKSGUPXSA-N 428.921 0.487 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828428 QOGYSVHWMPJPIF-SJCJKPOMSA-N 430.845 0.247 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1838835272 NSWVVCGFDKMOHG-SJCJKPOMSA-N 445.314 0.282 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)C[C@@H]1C)CCO2 1839089207 NWYBSPZGMVXDKJ-SUSHIFIISA-N 445.520 0.623 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839533402 KEKCYMYKOPFJRA-SCLBCKFNSA-N 441.326 0.683 50 20 ICGD CCc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)c1 1840151694 LJDYELRISBZSCN-OXJNMPFZSA-N 425.913 0.968 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cn1 1840186334 JNOSVVOBOYWMNQ-QGZVFWFLSA-N 433.292 0.749 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316128 FMNWGJMBZKFREY-FCEWJHQRSA-N 447.315 0.430 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595883 KPROKYURJNSERE-KBXCAEBGSA-N 433.343 0.921 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840611864 UEAHDRKWWPYDMY-JOCHJYFZSA-N 444.337 0.263 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nccn1 1848099975 WCLJWELJAWXCFW-IHRRRGAJSA-N 426.905 0.612 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 23567700 NIIRTWWYNBJUKF-MRVPVSSYSA-N 429.202 0.053 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 26977942 WNCZZDBTOTYZSD-YVEFUNNKSA-N 435.458 0.349 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)sc1C(=O)O 107514734 QQQQAMCNRCTMMP-UHFFFAOYSA-N 432.505 0.671 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c2ccccc2c1=O 725907275 GTYXPASSLDPMCN-UHFFFAOYSA-N 449.876 0.792 50 20 ICGD CSCC[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1nnc2ccccn12 726085714 CWDJKEWRKVJCAR-GFCCVEGCSA-N 431.478 0.877 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 726537106 JQYSAXYZQCVRGZ-FVLHSZHDSA-N 436.472 0.688 50 20 ICGD Cc1csc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 726871419 PWVZYLCPBADAOT-UHFFFAOYSA-N 425.492 0.939 50 20 ICGD O=C(NCCOc1ccc2c(c1)OCO2)NNC(=O)C1CCN(c2ncccn2)CC1 728949205 PYARFUTWYCTYTR-UHFFFAOYSA-N 428.449 0.831 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 729276239 ZXIMFSOFUVIAFQ-GFCCVEGCSA-N 440.503 0.186 50 20 ICGD CCn1c(CCC(=O)NNC(=O)Cc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 730090474 CWXUAESRPATAIR-UHFFFAOYSA-N 447.521 0.352 50 20 ICGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)S(=O)(=O)c1ccc(Br)cc1 730102869 RCCQZWZMEDSKPY-UHFFFAOYSA-N 430.284 0.183 50 20 ICGD COC1CCN(C(C)(C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 730908053 QLEJJGVSPVIBLJ-UHFFFAOYSA-N 430.509 0.767 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1 732474137 HWINWPKZCSSWIR-AWEZNQCLSA-N 429.455 0.027 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733755449 ZRPJPBHHOQDSMO-BPQIPLTHSA-N 437.518 0.355 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 734241132 DWWJYULIPIQODP-UHFFFAOYSA-N 429.499 0.122 50 20 ICGD CC(C)n1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 739051559 JFNJGVOPFKJCBG-UHFFFAOYSA-N 436.542 0.621 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCCc1cccs1 742053797 TYDBKXKEVBSPSA-NSHDSACASA-N 428.540 0.338 50 20 ICGD COC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1O 745653167 PETICMDQTSOBOI-MRXNPFEDSA-N 445.384 0.715 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c[nH]1 746100208 PRYVODIJAGZJGH-UHFFFAOYSA-N 439.519 0.184 50 20 ICGD COC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 747449670 SMLMWJYBQNRIDG-UHFFFAOYSA-N 440.522 0.611 50 20 ICGD CCc1c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(C)c1C(N)=O 747719222 JNFKHSVPPWRYFL-UHFFFAOYSA-N 435.506 0.375 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1csc(N2CCOCC2)n1 751607541 TVUFOLVNFVWEIY-OAHLLOKOSA-N 439.538 0.994 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 753817155 GHDSKQFWOPFJRP-UHFFFAOYSA-N 443.545 0.571 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 755048830 GSXRJEXDAQMQOG-KBPBESRZSA-N 445.501 0.855 50 20 ICGD CCN(CC)C(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 755646392 YABRMZZJRPFHFI-SNVBAGLBSA-N 433.918 0.912 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 756294036 CEOASLKUVNRFTQ-AWEZNQCLSA-N 434.497 0.344 50 20 ICGD C=CCCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757683826 WKAFFGBTOAUTOT-UHFFFAOYSA-N 426.495 0.244 50 20 ICGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccc3O)cc2)CC1 763527207 HCQDKXGDLLUTGT-UHFFFAOYSA-N 439.472 0.108 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763663005 FXFFEMZFFBHTMN-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 763681003 DEPMQQSOOJRZGY-UHFFFAOYSA-N 445.375 0.987 50 20 ICGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1)CCC2 763695659 RRLNTRLFYOLAQD-UHFFFAOYSA-N 436.266 0.836 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 764048756 UEUZJZBEYWBEEV-UHFFFAOYSA-N 432.458 0.417 50 20 ICGD COCCn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)n1 764083843 BRBLFMGLGSKHMQ-UHFFFAOYSA-N 428.218 0.831 50 20 ICGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NNC(=O)CC2CCCC2)cn1 764179537 TZKBRUBSCHXSFT-UHFFFAOYSA-N 433.490 0.942 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 764204063 IGKXOXBISKGNNR-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)cc1 764231905 QYPXMKHFCGNKFR-GFCCVEGCSA-N 435.462 0.206 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)cc1 764233859 GCJVGNKMHRJMKB-UHFFFAOYSA-N 443.485 0.988 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764268598 NFEHKFAMGDCMHG-UHFFFAOYSA-N 440.485 0.857 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccc(O)c(O)c3O)CC2)cc1 764817259 ORWSZOYNTRDWBV-UHFFFAOYSA-N 448.501 0.568 50 20 ICGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117488 GNRCZRYHXZGWBG-UHFFFAOYSA-N 441.513 0.634 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1csc(S(C)(=O)=O)c1 766553724 DSMUMXPAWFOJPX-UHFFFAOYSA-N 430.533 0.828 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC[C@H]3CCOC3)CC2)cc1 766636343 NWMQYPPNHKWVAH-KRWDZBQOSA-N 438.550 0.265 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)(N2CCOCC2)C1 767760224 NDLYGRCYSGSIOW-UHFFFAOYSA-N 430.509 0.857 50 20 ICGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 769655286 ZDPXZVZLRRXKIL-UHFFFAOYSA-N 449.414 0.218 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1nccn2c(Br)cnc12 769744362 OVJRTFINHPEWPF-UHFFFAOYSA-N 445.281 0.959 50 20 ICGD Cc1cc(S(N)(=O)=O)sc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191931 HGYGUABBRRTHEZ-UHFFFAOYSA-N 430.895 0.435 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C 778421709 QXSLTGRQCZGSGF-LBPRGKRZSA-N 432.462 0.644 50 20 ICGD C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2)C[C@@H](C)O1 783427797 QGAOSEKROBYCLU-SXGZJXTBSA-N 438.550 0.432 50 20 ICGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 786730124 PIUXGRCBLCLWOX-OAHLLOKOSA-N 437.478 0.619 50 20 ICGD Cc1cc(NC(=O)C(=O)NNc2nccn(C)c2=O)cc(N2CCN(C(C)C)CC2)c1 792292976 QPRWVFLIIGULMU-UHFFFAOYSA-N 427.509 0.701 50 20 ICGD CS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 792463670 YAIMWFUMJXWSDN-UHFFFAOYSA-N 439.377 0.755 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 802565608 BQFLGRSXDPHTNR-CQSZACIVSA-N 435.339 0.677 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cn1C 808080858 JAPSSQQIDYNFRQ-UHFFFAOYSA-N 447.429 0.444 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 919694241 QHHDYWZLYROEMC-KOLCDFICSA-N 434.301 0.928 50 20 ICGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885287 KTIICNYUEKPTHK-YOEHRIQHSA-N 449.533 0.369 50 20 ICGD C[C@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 919911884 VMPBEOHWOTYJQK-OAHLLOKOSA-N 448.549 0.981 50 20 ICGD CC(=O)NC1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1117478900 IUKBEWIDTIEGDR-UHFFFAOYSA-N 425.511 0.328 50 20 ICGD COc1nc(Cl)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C 1117702282 SKFDIRAODUIPPY-UHFFFAOYSA-N 441.897 0.867 50 20 ICGD C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1 1262633783 ZGFZICSHJBRLPN-CYBMUJFWSA-N 432.527 0.958 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccn1 1340543721 KQXFEONLAWEKDJ-UHFFFAOYSA-N 447.517 0.166 50 20 ICGD Cc1cc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2[nH]1 1777869712 GHMXKRSPZYZDIZ-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1777984245 VSNWDZPMNFSANX-LSSIXWDNSA-N 437.310 0.638 50 20 ICGD Cn1ncc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cccc21 1778028816 TYQMCTMOZMGITQ-HSZRJFAPSA-N 448.288 0.010 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297164 UDSDOJLBNDYMES-QFBILLFUSA-N 444.557 0.163 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1780703374 ORTAZWHMRLXTRM-OWDMVUQNSA-N 437.928 0.771 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1780705902 BNIFPLQVEKNWQS-NXOUGTEYSA-N 449.335 0.288 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 1780709445 ZSPWWGLPFOTDMO-NRFANRHFSA-N 427.436 0.582 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1783492420 FRJRSORREZRMJK-GNBIQWSPSA-N 433.892 0.326 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086581 YRODUFBTRFAWHB-HVTWWXFQSA-N 435.952 0.623 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C[C@@H]21)[C@H](O)CCl 1784091474 VNLQOYHPDXCMIQ-ZZCKCESHSA-N 433.896 0.665 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)[S@@](=O)c1ccccc1 1784094262 MSFZWBPQFCYFIU-NOSMVEDPSA-N 442.965 0.762 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cnc(O)nc1O 1787430746 QIVNTSBXHCJMBI-ASXGKARISA-N 433.234 0.172 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2cc[nH]c2c1 1787830598 KCMVSADQQKTTDL-VCOUNFBDSA-N 447.300 0.755 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788248369 KHPLKRJTJVBKEJ-XSLAGTTESA-N 428.961 0.148 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925761 JFPPTJMKNVOGIS-CXOVXGEYSA-N 444.305 0.947 50 20 ICGD Cc1c(Cl)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737607 AJFYMCMWCBOCJE-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD O=C(CCc1ccc(F)nc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188256 HYYVAYLUTHWXJK-REPLKXPHSA-N 425.269 0.785 50 20 ICGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1796586313 AVUJMEULRVFXEF-ZMJPVWNMSA-N 433.278 0.423 50 20 ICGD C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC=CCC1 1797753912 AVSJPZBWWZTCTH-OLMRKFRDSA-N 427.505 0.635 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798525543 DSOKPRIQXKVQRX-NFFDBFGFSA-N 426.311 0.620 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799152517 DNVWIIUOZSTJII-UZVBGSJOSA-N 442.354 0.760 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)C1 1799342501 JCAUIZKHEWOVRU-IIEFLBBWSA-N 435.290 0.856 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2)[C@H](F)Br 1799349902 NJWKLWVKUYMQMS-DJBIQUGXSA-N 426.246 0.623 50 20 ICGD Cc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1801687710 LOCJRGRYTKZKAR-CWPLJXCYSA-N 437.500 0.819 50 20 ICGD Cc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1801753341 YTSHRBZGOVNSJC-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)c1ccccc1 1802099882 YCECSIWDRAQLFH-REGYPHIPSA-N 437.500 0.692 50 20 ICGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802246791 OGVWFTCTTSMZAH-IVDHNXQLSA-N 440.305 0.374 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804415376 LIHVLCIQGXOHDR-QRTARXTBSA-N 436.856 0.492 50 20 ICGD Cc1oncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805800076 HFTWSJIBZVYMPI-XLIONFOSSA-N 434.261 0.691 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CSC(=N)N)[C@@H]1c1cccnc1 1807009168 QDGUFIBQERPFGM-KDOFPFPSSA-N 435.554 0.087 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807054296 HCQCEGVTCGRXIR-AEIGPULVSA-N 440.342 0.464 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371065 PANJNYGHXIAEOY-OFNKIYASSA-N 444.300 0.719 50 20 ICGD Cn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1810299834 UHJMIBZYNFHHEY-HNAYVOBHSA-N 448.487 0.447 50 20 ICGD C[C@H](Br)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822184405 KSQQDRQTDZCCOU-JMJZKYOTSA-N 441.286 0.783 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1830535250 KKZJLORTKNIGLA-SJKOYZFVSA-N 445.314 0.227 50 20 ICGD COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719946 PHCJQJAEXFUQMT-XLIONFOSSA-N 442.896 0.130 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831644209 RKVBKVYINJSNSV-FOIQADDNSA-N 440.928 0.864 50 20 ICGD O=C([C@@H]1COc2ccccc2O1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832491519 CVSPNJBGVGKVAR-TXPKVOOTSA-N 428.844 0.817 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1CCCC1 1834358730 HVKUNADLHFHKJI-UHFFFAOYSA-N 427.354 0.742 50 20 ICGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834520956 PJHAWVJWSQVFDT-BBRMVZONSA-N 434.262 0.998 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834824219 XRTJQBRCFQVNPL-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1834824705 IHEGKOXWPODBSX-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD Cc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935660 XYMGFWGUIUAAEI-OAQYLSRUSA-N 444.318 0.120 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1)[C@@H](F)Br 1836412835 XUEUJXZYGHEHLP-CQSZACIVSA-N 432.294 0.991 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717335 UJZKKRKJMFCEOC-RHSMWYFYSA-N 439.944 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCc3cn[nH]c3)CC2)CC1 1837160032 AEROLLOIZLUIAL-UHFFFAOYSA-N 448.568 0.714 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710071 GZIXKMUBCMGTTA-GOSISDBHSA-N 448.614 0.201 50 20 ICGD CCn1nc(C(C)C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838808485 ABHXQAIRFFJEHH-FXAWDEMLSA-N 442.944 0.696 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)no1 1839198476 FLLAQULBUAFSTB-DZGCQCFKSA-N 435.250 0.067 50 20 ICGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839774411 XWNIDPXEXGTJPV-MAUKXSAKSA-N 434.892 0.911 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840031352 NARRUQUBKFPSOK-ZBEGNZNMSA-N 447.717 0.983 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032902 NBYQLOZOTTWWBJ-ZUZCIYMTSA-N 433.328 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840151410 AOEZDNNZFDANOG-SQGPQFPESA-N 426.897 0.430 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841571216 IBQYWFOLLIGRQM-LEWJYISDSA-N 434.301 0.996 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1841860499 YMXXXVJKPVHUBY-MRXNPFEDSA-N 433.553 0.354 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](O)Cc1ccccc1)C2 1843416823 FHNSNTYRYFYUEH-DUYBAWCLSA-N 437.500 0.927 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412583 OVYJVVCZVRFZCY-XOBRGWDASA-N 445.944 0.816 50 20 ICGD COc1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)CC2=O)c1 1847214491 TUEIFAXJGKCPIH-QCSYZSNVSA-N 435.908 0.850 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)COc3cccc(C)c3)C2=O)cc1 28581103 GOZGRSRMYSDTNY-JOCHJYFZSA-N 440.456 0.997 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 725871831 RKUKQXDYKJHSBB-UHFFFAOYSA-N 432.456 0.301 50 20 ICGD NC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 725896924 USCOBEOJVACTHS-UHFFFAOYSA-N 439.881 0.960 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 728332639 LMWLCAOXGMHKBJ-PBHICJAKSA-N 447.488 0.802 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1=O 729626204 LKQXRHATPFQBJD-HZPDHXFCSA-N 448.520 0.806 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NN=c3cc[nH]c4ccccc34)cc2)CCN1 730288977 MAPXFJCYLFCKDC-UHFFFAOYSA-N 425.470 0.534 50 20 ICGD O=C(NCC[S@](=O)Cc1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 735100374 RHZNKTHLSXJDRV-PMERELPUSA-N 430.534 0.972 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 745141798 XRMQUIYVWHOMKH-UHFFFAOYSA-N 444.469 0.616 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCOCC3)CC2)c1 745992950 OUOGISQXMKEOMH-UHFFFAOYSA-N 438.506 0.363 50 20 ICGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751209396 PIDUPTUACOFVTA-UHFFFAOYSA-N 426.476 0.121 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 751802919 CUBVYZHTMHRZFN-UHFFFAOYSA-N 440.526 0.851 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755358634 FTHCMYZDPCGIGU-LBPRGKRZSA-N 432.524 0.305 50 20 ICGD C[C@H]1CN(Cc2ccccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C[C@@H](C)O1 755961885 UGGYWTSKDGWIAJ-MJBXVCDLSA-N 427.527 0.386 50 20 ICGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763682193 SGZHLEFKFJYNAP-UHFFFAOYSA-N 437.412 0.620 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1C 763823722 FPRMGWXMYGTETR-UHFFFAOYSA-N 447.517 0.612 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c(OC)c(OC)c1 764163354 IVAXMCFLDYKUEB-MRXNPFEDSA-N 443.412 0.580 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764177960 ZGXNTWDLJWYIED-UHFFFAOYSA-N 443.485 0.988 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 764239954 WKXCRRKPIOLVPP-UHFFFAOYSA-N 434.456 0.953 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2scnc2C)cc1 764246234 GCGAFQFXMKTUBE-UHFFFAOYSA-N 437.503 0.658 50 20 ICGD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764431568 DHLRXWTUTFHEPO-QGZVFWFLSA-N 447.492 0.002 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC 766792846 VUOWDKLKVPUDIK-UHFFFAOYSA-N 444.469 0.992 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC(C(=O)OC(C)(C)C)CC2)n(C)c1=O 768367892 SXJJQUQFLMBXAR-UHFFFAOYSA-N 432.481 0.438 50 20 ICGD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 770391173 ICLXMHQWLMKMHM-UHFFFAOYSA-N 426.341 0.423 50 20 ICGD CS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771606898 YWUXTIRSKMKMOU-UHFFFAOYSA-N 445.906 0.369 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 772045567 RHSXENIEPAWIGI-CABZTGNLSA-N 430.255 0.029 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)n1 773723828 GFXBVPYCKHDNOW-UHFFFAOYSA-N 436.494 0.904 50 20 ICGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)O1 774769730 AORQJCVMRZOUNT-KBPBESRZSA-N 443.298 0.794 50 20 ICGD Cc1ccc(NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)nn1 783954712 ZLFOUEXKRIIIQO-UHFFFAOYSA-N 444.517 0.992 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 784005091 ZMQPZJSQCYDEMS-UHFFFAOYSA-N 425.376 0.997 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 788178606 TVNXRISRIKDHRS-OAHLLOKOSA-N 443.489 0.877 50 20 ICGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1 788231099 CIBCHDMSYIZDST-MRXNPFEDSA-N 431.474 0.975 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1OC 796990242 PVMWOFJMJASXCU-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 799667200 YSEPHHBCNZRCQL-SNVBAGLBSA-N 440.881 0.139 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 800725064 OIKQIALJCBTYQL-UHFFFAOYSA-N 438.893 0.820 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)CNC(=O)c1ccco1 801749083 QQOVFXHYHFVGRE-CYBMUJFWSA-N 437.478 0.097 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(Cl)c1 802048158 LZEUGUAUZPWCOE-NEPJUHHUSA-N 428.898 0.837 50 20 ICGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)c1 802720796 LVTBKGGIJJKGRZ-UHFFFAOYSA-N 444.487 0.739 50 20 ICGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cn2n1 810408595 LVEIELHPWNKRMH-UHFFFAOYSA-N 425.405 0.050 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(CC(N)=O)cc2)cc1 812483939 MCXHWNGWWJKGMT-UHFFFAOYSA-N 447.517 0.174 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 814669836 WBUOIZCZJZFZCC-OLZOCXBDSA-N 435.510 0.770 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccc(Cl)n1 817009287 CODPWGAEPLPICH-CYBMUJFWSA-N 446.938 0.960 50 20 ICGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc2)C1 864231779 SFKCEEYDYWVIOQ-KFWWJZLASA-N 430.357 0.591 50 20 ICGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 913415178 JBEYZBRAUSRFDK-UHFFFAOYSA-N 437.474 0.760 50 20 ICGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 916104684 IZHRIFNYSSXVIT-UHFFFAOYSA-N 426.476 0.390 50 20 ICGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1cccc([N+](=O)[O-])c1 916516119 FQGKIFZVOFUPHS-UHFFFAOYSA-N 449.493 0.768 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCc4c3cnn4C)nc2)CC1 916604190 DGHRSUHVKCQKCP-INIZCTEOSA-N 448.553 0.455 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@]2(N3CCOCC3)CCSC2)c2ccccc2c1=O 916636704 KDSCVYSTWLUKRW-HXUWFJFHSA-N 446.533 0.085 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC 920210483 BVHLWGFXSSNKTM-UHFFFAOYSA-N 428.445 0.837 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1320640102 KOQNOJNOKKXMJQ-PXAZEXFGSA-N 429.520 0.551 50 20 ICGD Cc1c[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1778200624 JPJOKIUBDICZHM-XMSQKQJNSA-N 440.504 0.763 50 20 ICGD O=C(c1cc2n(n1)CCCO2)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778556256 LPPUROODDQPVLB-BBRMVZONSA-N 431.262 0.800 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4cnccc34)C2)C1 1778609049 GGKYGZHVTNFUBD-DEOSSOPVSA-N 445.284 0.672 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1F 1780271937 CXARAVZOZBQRLO-NFBKMPQASA-N 440.280 0.947 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782169097 YNSYGRCEKVAGFV-WUZLCWIESA-N 427.929 0.613 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1782170827 AGGUGOSIIMTFEK-AKCHCHLHSA-N 425.913 0.767 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1783881906 NYSILFQYPOYWRY-PXAZEXFGSA-N 425.898 0.784 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783934617 JJWLCIJXORWFNJ-OAQYLSRUSA-N 431.468 0.514 50 20 ICGD O=C(CCCc1cccnc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784671559 PNGZPKMPZORRRY-QHCPKHFHSA-N 437.305 0.228 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(CO)CC3)[C@H]2C1 1785058737 ZBUAKEUODGPTTF-LKIAZTKLSA-N 438.569 0.138 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccsc3)[C@H]2C1 1787066830 FCIAMVBGEAJISB-WBAXXEDZSA-N 443.529 0.583 50 20 ICGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921637 TYCAPDILHGARAH-AYGWYOGXSA-N 441.319 0.563 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4ccnn34)[C@H]2C1 1790345227 SQBUFKYHOGYPFB-IEZWGBDMSA-N 442.520 0.301 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccc(Cl)cc3n1)C2)[C@H](O)CCl 1792981774 UTVUGLYPXDZRFZ-YHYOWMERSA-N 427.288 0.791 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796361690 NEWALTTURGMOSK-JLUCKKNBSA-N 433.889 0.364 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)c1)C2 1796441318 YGJIEHRTZOBFHV-CBKYIJDSSA-N 426.477 0.362 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797643143 LSCZAAXSWIUKLD-HZMTTXTESA-N 437.880 0.565 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797985483 LJORBCNHFMINRZ-XOIINTDNSA-N 436.585 0.980 50 20 ICGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)c1ccc(O)cc1 1799301208 PCYSPNZDKOOHCI-RACNMONISA-N 432.521 0.458 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)(Cl)Cl 1800586307 VLEVVNWXMNBINV-DDFAGTSDSA-N 429.732 0.319 50 20 ICGD Cc1nccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807373764 AHGQLARQROXIAN-RXVVDRJESA-N 445.288 0.493 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1808200486 OAFBRFSGNFARDG-LLLHUVSDSA-N 437.953 0.714 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccncc1F 1808884454 PIMTVQFIQGNCCO-UWJYYQICSA-N 448.263 0.929 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cn1 1809977893 LQKKCCCZGVQFAF-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295026 PGOXDEXEKRSSCW-RHSMWYFYSA-N 442.476 0.019 50 20 ICGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303904 WBOOWTVGXMFKAC-RDTXWAMCSA-N 449.475 0.140 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(CO)o2)[C@@H]1c1cccnc1 1810828959 FSLVAUHGBQGULE-KKSFZXQISA-N 443.504 0.860 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nccs1)CC2)c1cccc(B(O)O)c1 1815354717 BNDRFAZOKNPPNU-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n[nH]1 1819496517 GGTZBMVCIZCRBZ-SFHVURJKSA-N 436.281 0.670 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822368932 MDPCPRKAHHRYPS-GOEBONIOSA-N 434.689 0.649 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cncn1 1826797080 DPSWVDPZTSFSDB-NWDGAFQWSA-N 434.526 0.281 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008988 JRNKHZDYGNSAOR-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830538391 DZLRWUJFEQZTJO-BDJLRTHQSA-N 447.355 0.948 50 20 ICGD O=C(c1cnnc2ccccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728033 NJFAFFQIPLUYDD-YLJYHZDGSA-N 434.880 0.300 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)c1 1830732042 PLZDQUKERLXPPT-VQIMIIECSA-N 428.869 0.071 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830737908 KKDKDOABTQDHJD-PXNSSMCTSA-N 428.888 0.733 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831108231 RVWGADBLBCUWDO-GOSISDBHSA-N 446.552 0.236 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833614933 PGXWOUFBUWXGMY-SFHVURJKSA-N 428.892 0.408 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833861590 LZTCTEOWKLLPRK-QGZVFWFLSA-N 445.314 0.284 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCCC3)CCO2)C1 1834679971 QFRXWKGEGPOCKW-OLCUMFGGSA-N 443.504 0.687 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1834918453 BSIIQJFCSJUGNH-QKLQHJQFSA-N 426.897 0.430 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835722107 JCZVZZKGKIANLM-XGHQBKJUSA-N 437.924 0.906 50 20 ICGD CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)[C@@H](F)Cl)CC4)CC3)CC2)CC1 1836377492 XSBKWNICNIESJC-GOSISDBHSA-N 443.995 0.872 50 20 ICGD C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837305531 DCBSRXDQWXQYTA-NFBKMPQASA-N 442.321 0.205 50 20 ICGD COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838170967 YXAPQAUNQNQZQH-HNAYVOBHSA-N 427.885 0.068 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149871 URNPPVVOPAANBL-ZTFGCOKTSA-N 438.352 0.594 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202412 FATCFJJKKYWPEW-YWPYICTPSA-N 443.335 0.247 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839962186 WWXQJHWUEYOEEH-GLJUWKHASA-N 446.342 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840031052 DXSZYBBPTCIGGB-SUMWQHHRSA-N 427.299 0.259 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840152120 XVLRJQVPXVLEDD-MGPUTAFESA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841432213 JYLFNUULXMFWDK-KGLIPLIRSA-N 433.933 0.719 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841483346 VFCPPABAOSXADG-ZDUSSCGKSA-N 444.916 0.774 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841764362 CVUSUQWAKVYAEF-QGZVFWFLSA-N 443.309 0.193 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842910187 JBLJNGZBBCJZJA-OVCLIPMQSA-N 428.443 0.915 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843011270 MPXZDXRRDNLVNJ-UHFFFAOYSA-N 443.309 0.050 50 20 ICGD COC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843011938 LLRJFYKZTQXXIG-UHFFFAOYSA-N 437.261 0.676 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012355 HCWSCPFZQGGXOO-UHFFFAOYSA-N 436.273 0.213 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCN2Cc3ccccc3C2=O)C1 1843871008 ZDDQLGUVRWIINY-UHFFFAOYSA-N 447.300 0.230 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccncc3)[nH]n2)C1 1844483946 PUYQQDNFDGDHBZ-UHFFFAOYSA-N 446.471 0.601 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 28604869 PXPDNJSPZZWYNF-UHFFFAOYSA-N 442.497 0.973 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1Cl)N[C@H]1CCS(=O)(=O)C1 727671289 SZOQHVOVZAKEDL-QMMMGPOBSA-N 446.732 0.782 50 20 ICGD CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 728134394 KXPXPYQSUQZYFB-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1 731904830 RUBCEIANGGJVDX-HTQZYQBOSA-N 434.569 0.614 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2S(=O)(=O)N(C)C)cc1 732366560 FJBWTVZOMZAHRI-UHFFFAOYSA-N 425.488 0.925 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3cnnc4ccccc34)c2)CCN1 733810131 VOXMMRMDHVEIIG-UHFFFAOYSA-N 426.458 0.507 50 20 ICGD Cc1nn2cccnc2c1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117292 PCAQZKTYHNCFIQ-UHFFFAOYSA-N 430.494 0.126 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(N3CCC(O)CC3)cc2)c1 735834329 PGZNSSGFBIEBSS-UHFFFAOYSA-N 446.529 0.973 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1C 742478894 WPISYSPOCMPWGU-AWEZNQCLSA-N 433.486 0.791 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCNC(=O)CC2)cc1 743928445 FXBKTZNMFYGEAS-VBKFSLOCSA-N 436.472 0.690 50 20 ICGD O=C(Cc1cnn(-c2ccccc2)n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621391 RGMXRXVEBHTVJE-UHFFFAOYSA-N 442.501 0.974 50 20 ICGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1nnc(-c2ccc(Cl)cc2)n1 746366619 CBTVFQLLLRSMEX-DGCLKSJQSA-N 426.886 0.527 50 20 ICGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)CC2=O)c1 752789795 PWVQEUPYWRTDJC-OWCLPIDISA-N 448.520 0.703 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 755989909 CKFSVJDLDKIGHG-UHFFFAOYSA-N 425.405 0.905 50 20 ICGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756081606 URJAQONJPFSTSD-LBPRGKRZSA-N 443.913 0.584 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)Nc1cnn(CC(=O)N2CCOCC2)c1 756834730 JEXAYDSCHVEICK-UHFFFAOYSA-N 438.448 0.599 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 758045200 BZVDXUMCQDNVJW-SECBINFHSA-N 426.886 0.497 50 20 ICGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)C(=O)Nc3ccccn3)CC2=O)c1 758840843 RMQPLVNBUYYTPC-LBPRGKRZSA-N 427.417 0.238 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 760159995 XPLPAVZDVDVQED-GASCZTMLSA-N 426.539 0.174 50 20 ICGD O=C(NNC(=O)c1cncc(Cl)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 760787907 NKIZQCJIXQFXDW-UHFFFAOYSA-N 425.854 0.226 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 763175621 FIGFABUFOXYTCZ-JUBXPWAKSA-N 441.419 0.528 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763569623 AHNDLDZAFCOMED-KRWDZBQOSA-N 449.427 0.601 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(CN2CCOC2=O)c1 763574353 ZEHVRLHUFPBSQD-KRWDZBQOSA-N 440.412 0.565 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1C 763681289 WBVWVEMBBUZPCU-UHFFFAOYSA-N 431.470 0.798 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc(Br)c2c(c1)OCCO2 763813339 GSMAKRBJGRYVSE-UHFFFAOYSA-N 435.234 0.806 50 20 ICGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)c1 763903497 SSMRLKKUEAQTMY-UHFFFAOYSA-N 434.449 0.958 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764006575 QOBOYUUCOLZNCR-UHFFFAOYSA-N 426.429 0.488 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCN3C(=O)CCC3=O)CC2)cc1 765748096 JLDZWTVOHKSXTB-UHFFFAOYSA-N 429.521 0.189 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C(=O)c3c(C)nn(C)c3C)CC2)cc1 766639443 ACBPAVCDTZPAKU-UHFFFAOYSA-N 426.521 0.493 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 767853770 YSEYYGSBZKVSIX-UHFFFAOYSA-N 441.492 0.174 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C(C)C)cc1 770973615 NSSVQAHRPSSBLQ-AWEZNQCLSA-N 433.494 0.824 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771252201 QCPKOTVAZVZJMG-QFIPXVFZSA-N 440.456 0.861 50 20 ICGD O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885287 YMJUANCRJIWNJU-UHFFFAOYSA-N 443.935 0.921 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 773082709 ZZBFOUONFGBDTC-OAQYLSRUSA-N 436.428 0.195 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 773419084 LXIVWGSSQGRDBA-OLZOCXBDSA-N 434.559 0.745 50 20 ICGD CN(NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776206157 PYABLNWWMDMIMQ-UHFFFAOYSA-N 438.441 0.392 50 20 ICGD COC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 776913001 BBEDTUURSCUPFO-GFCCVEGCSA-N 426.495 0.901 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cccn2c(O)nnc12 780982907 IYJNHDKEYXRDQV-UHFFFAOYSA-N 443.895 0.667 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl 784000229 QWHOPCSFAWETIO-UHFFFAOYSA-N 437.884 0.434 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 784000651 XGMZKQQARMOWKF-UHFFFAOYSA-N 435.334 0.069 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cccc(OC)n3)cc2)CC1 784846083 MCYZHAQEQJLEDI-UHFFFAOYSA-N 442.476 0.467 50 20 ICGD CCn1cnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785066512 COEWWPDCDTYWTD-UHFFFAOYSA-N 432.444 0.941 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 786128417 LTRNLIAUCXPXKK-ZDUSSCGKSA-N 444.510 0.684 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cccc1N1CCNC1=O 787555328 KUCHGVNDQRHZIJ-UHFFFAOYSA-N 444.473 0.102 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 787857805 OJYOUHLBMLZVKB-UHFFFAOYSA-N 429.458 0.533 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n(-c2nc3ccccc3s2)n1 793044085 ZGTORGTXVPZSSA-SFHVURJKSA-N 448.530 0.927 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1OC 800724713 BOJKBAVFBLNGBX-UHFFFAOYSA-N 434.474 0.175 50 20 ICGD O=C(CNC(=O)c1ccccc1I)NNC(=O)N=c1cc[nH]cc1 802029823 SSKJEKYMEHKMAQ-UHFFFAOYSA-N 439.213 0.691 50 20 ICGD CC[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)S1(=O)=O 804867903 OALIBPCIHGWMLG-NEPJUHHUSA-N 431.540 0.232 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)Cc3cccnc3)C2=O)c(OC)c1 805071169 PCTSBBHUWJKRRJ-QGZVFWFLSA-N 427.461 0.773 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 807370529 LKAAWERCOPBVNA-MRXNPFEDSA-N 447.492 0.473 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNc3ccc4c(=O)[nH]ccc4c3)c2)nn1 812994275 IASRDTCZZSJDCA-UHFFFAOYSA-N 447.411 0.977 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2c1=O 834653526 DIOGXONFOFCPON-LUVWLHFXSA-N 449.467 0.375 50 20 ICGD CN(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1CCS(=O)(=O)C1 913125886 BFYNYZLYMJLTCV-YPMHNXCESA-N 428.442 0.579 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H](CN1CCOCC1)c1ccccc1 914598270 VHHIFYMPPWDPKS-LJQANCHMSA-N 436.476 0.680 50 20 ICGD O=C(NNC(=S)NCCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)o1 914881747 LXJZGXMAXHDZSJ-UHFFFAOYSA-N 444.560 0.714 50 20 ICGD CCOc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916513413 ZJTWZLMMWMUECC-AAWPKVBNSA-N 435.458 0.548 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCOc2ccc3c(c2)OCO3)c2ccccc2c1=O 916647237 VSNBOSUCAXFWGG-UHFFFAOYSA-N 425.401 0.685 50 20 ICGD COCCN1C(=O)/C(=C\NNC(=O)c2ccc(F)cc2Br)C(=O)NC1=S 917602739 IRAPJUISBZWMJM-YFHOEESVSA-N 445.270 0.596 50 20 ICGD CNC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 919879564 PMKOVUFGVRKPTN-MRVPVSSYSA-N 425.330 0.872 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCC(=O)N(C)C)c1 919924122 WFBHHGLEJLJOHU-UHFFFAOYSA-N 427.527 0.530 50 20 ICGD C=C[C@@H](COC)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1342746597 GKBFIHGDQPTKAF-INIZCTEOSA-N 440.522 0.172 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)n1ccccc1=O 1781330880 AKMBLIIOBFUPRL-IFIJOSMWSA-N 430.274 0.930 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331889 RMUIWXMUOQMSIX-CZUORRHYSA-N 426.246 0.863 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1782001203 BAHRUENMAQKKFM-UHQDVWGKSA-N 430.343 0.810 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)on1 1782209562 ZSJYKKOVDQIRFX-DYESRHJHSA-N 435.525 0.412 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1784064379 AJDXOBZZDFQHSA-KKXDTOCCSA-N 425.848 0.053 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1CC(c2ccccc2)=NO1 1784401520 VTATWMXDAOKSQU-JAQSECSASA-N 435.908 0.759 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=CCCS3)[C@H]2C1 1784569304 KQHZTIXGBFGUEA-RCBQFDQVSA-N 431.518 0.299 50 20 ICGD COc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C 1784921362 HHNWARTYNNEYOR-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2ccoc2cn1 1790325412 SYNFRDVWSKHXDM-MDKPJZGXSA-N 449.272 0.415 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1noc(-c3ccccc3)n1)C2)[C@H](O)CCl 1792979148 XORAFQIGBZSMQQ-YYAJDYIMSA-N 448.907 0.859 50 20 ICGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)C(C)(C)C 1793194068 KGJFFORNPWFCPR-XVIXHAIJSA-N 436.322 0.817 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999779 MPTSCGQIYTWDAZ-MCYUEQNJSA-N 444.286 0.412 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccs1)C2)c1ccc(B(O)O)cc1 1795734413 GWAJTUZALGPXRF-XMYGOJHDSA-N 426.303 0.345 50 20 ICGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1F 1795736260 SHAXZDGPYMDNTH-XEMDLRDOSA-N 426.253 0.331 50 20 ICGD CN1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188257 HZPSBCMYCRTFSY-BJESRGMDSA-N 447.344 0.675 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c2n1 1797434767 ZBCKSYWMCXUDRU-REPLKXPHSA-N 447.304 0.592 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1csc(C(F)(F)F)n1 1798255326 PMISNSNYPMSKRI-OEIWMXHLSA-N 427.832 0.965 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccnn3n1)C2 1798439997 RUSHUXCXTNPQFQ-BTTYYORXSA-N 434.460 0.293 50 20 ICGD CCOC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1F 1798532075 ZHQGBLCKVGPRNX-RBNVPPIJSA-N 442.871 0.805 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186960 VYHOBSOODCYGLJ-UHDSXZAQSA-N 445.402 0.385 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C(F)(F)F)C2 1800973520 CIHFVVKUWOWYQY-LFSVMHDDSA-N 438.834 0.896 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801227081 DYVCSRFEXBXNFS-PZTGFMGMSA-N 431.537 0.223 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cc1O 1802333933 DTFJAEBPFIRALO-BJWYYQGGSA-N 432.521 0.955 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1802883141 JNXLMSRHSCOUCT-WAOWUJCRSA-N 446.552 0.375 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1)[C@H](O)CCl 1803148276 PTWMLCTUCDRURU-IYOUNJFTSA-N 435.868 0.262 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363688 FGILYCJNVDLGCE-RXVVDRJESA-N 425.294 0.506 50 20 ICGD COc1nccnc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807577895 NGLBQQSYDTZYOD-UHFFFAOYSA-N 438.293 0.324 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1809550532 IHQUCYASRHDEAF-ZQYQINFJSA-N 437.305 0.649 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809870992 LBSOIQVWVISKQI-UHFFFAOYSA-N 442.350 0.872 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977521 ATRIGURGJMXOTA-HXUWFJFHSA-N 443.353 0.516 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070521 JQWDIWNTFAMPOZ-YWMUFLPLSA-N 446.552 0.327 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1CCCS1 1813612296 TWSXJZSHVAQKCP-IHPCNDPISA-N 439.346 0.977 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccc[n+]([O-])c1 1816055630 LHHFKRGRXUQXPC-GOSISDBHSA-N 435.249 0.343 50 20 ICGD Nc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)s1 1817412905 ACBWFSUHXRJBRM-AWEZNQCLSA-N 440.294 0.748 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n(C)n1 1825920888 UJUQRYSRDBXSOQ-FQEVSTJZSA-N 438.337 0.955 50 20 ICGD N=C(N)SCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826879126 MFDDZKJABXZTAP-SFHVURJKSA-N 446.382 0.616 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830537419 HNOUPHIKZCDASN-KDOFPFPSSA-N 446.342 0.096 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720289 WFTYAVDTSSWZMS-RDTXWAMCSA-N 448.303 0.413 50 20 ICGD CC(C)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830726672 SOCBLFNWIGICOF-PXNSSMCTSA-N 431.961 0.163 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830960648 YILDCRXNPBBNRP-KSSFIOAISA-N 441.326 0.507 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1831873760 WJMMDHDGBRQTJR-LJQANCHMSA-N 431.537 0.926 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831874997 PRFLKKNDEGFBLR-SJLPKXTDSA-N 433.557 0.832 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccsc3)CCO2)C1 1833964628 CIBQBBKUCBIEID-FQEVSTJZSA-N 445.501 0.130 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)CC3CC3)CC2)CC1 1834555936 GEJUAYIDCJFYCP-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834828109 ZOIVDELNVCADEB-GOSISDBHSA-N 432.359 0.714 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835711134 KUKVONYSQMFJKQ-YOEHRIQHSA-N 445.992 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnoc3)CC2)CC1 1835736942 LUZCPWGVZIOOPW-UHFFFAOYSA-N 441.492 0.172 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835746037 KENQVRPSQTZFIZ-WMLDXEAASA-N 438.960 0.448 50 20 ICGD O=C(CCc1ccc(O)nn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718914 IQNQJGUPPJVVKE-KRWDZBQOSA-N 440.928 0.713 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1837059123 ZWBMIAVACBPBQG-INIZCTEOSA-N 442.944 0.847 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)no1 1837710086 HMDKTBPKBVNEJL-SFHVURJKSA-N 426.546 0.228 50 20 ICGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1838518587 XAFAJOLKWQYUJT-WMLDXEAASA-N 448.289 0.922 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1838534561 PUFHTOMWZBCKDQ-RBUKOAKNSA-N 446.331 0.692 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839119274 NQPIXVQYOYULNM-DYESRHJHSA-N 443.972 0.715 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839151871 GNPKDFZBFSRXFL-ZLIFDBKOSA-N 439.340 0.126 50 20 ICGD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)CCO2)C1 1839743234 FKNYGLQCYONFSY-CZPMCIAXSA-N 448.470 0.923 50 20 ICGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c1F 1840031135 GJPKJIBCWYVXON-GTNSWQLSSA-N 447.305 0.721 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035233 KTLIWVGJZZJIOV-WZSOIAESSA-N 432.315 0.266 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840152186 AOMSVCMRTAIJSE-UGSOOPFHSA-N 444.941 0.739 50 20 ICGD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014659 LMRNZJCEKTZGMH-UHFFFAOYSA-N 427.197 0.545 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1844693062 SISQCRUTQLTYPF-HOCLYGCPSA-N 432.433 0.060 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccnc2N2CCOCC2)cc1 14335633 BHKZKGGCZRYUPO-UHFFFAOYSA-N 447.517 0.308 50 20 ICGD Cn1nc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 15939851 PERYJXLFTILREA-UHFFFAOYSA-N 429.458 0.063 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 726077051 NJWMWFVJDJBFNT-LJQANCHMSA-N 437.522 0.336 50 20 ICGD COc1cccc(NCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 728205856 IOFPEJKLQMXNJX-UHFFFAOYSA-N 447.517 0.750 50 20 ICGD COCCn1nc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)ccc1=O 732176067 QGUUKYXHUGUGOO-UHFFFAOYSA-N 425.239 0.736 50 20 ICGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)c1 735518441 JYHCUEUDUDYHLK-UHFFFAOYSA-N 438.481 0.824 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC 739671015 PSAJFHDKOFFJIC-UHFFFAOYSA-N 432.418 0.081 50 20 ICGD CS(=O)(=O)c1ccc(OCCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744890458 RZDGMLMTVMOJTN-UHFFFAOYSA-N 445.453 0.735 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751207581 ZMOBBZRCJASUKA-HNNXBMFYSA-N 434.474 0.319 50 20 ICGD CO[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 753559337 VVHKKNSJBZLOTN-HUUCEWRRSA-N 426.543 0.457 50 20 ICGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)CSc1ccccc1O)OCO2 753840789 NRDBPFDKBMGIBR-UHFFFAOYSA-N 447.425 0.786 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 756098187 UBZYODLUORHKOW-ILRDRHFLSA-N 426.473 0.820 50 20 ICGD CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)c3cccnc3)cc2)CC1 756358017 HEYDLLYMZYPCNJ-UHFFFAOYSA-N 425.493 0.758 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2nc[nH]n2)cc1 759226113 GRANLPWIGBRTIS-GDNBJRDFSA-N 434.460 0.818 50 20 ICGD O=C(COC(=O)Cn1cnc(-c2ccccc2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 761594350 GEHVHYKQDXZDQQ-KRWDZBQOSA-N 437.412 0.476 50 20 ICGD O=C(NNC(=O)c1ccnc(Cl)c1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 763378988 PBPQWCBDXGVMRI-UHFFFAOYSA-N 442.856 0.970 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 763673342 CXKOCONXTKDMLR-UHFFFAOYSA-N 446.423 0.379 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c1C 763758275 QSDVVGMHCXZXBU-UHFFFAOYSA-N 433.490 0.417 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 763848468 CBZLMYPTOJDDNE-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764285898 OMGIRGSTTFTTFZ-UHFFFAOYSA-N 439.476 0.025 50 20 ICGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764296010 RQKPOFBWDXTQGZ-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764366718 FGXSJHDFDCRZCY-UHFFFAOYSA-N 430.436 0.965 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 764399861 MSMFBLVDKCEUJU-LBPRGKRZSA-N 440.884 0.713 50 20 ICGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766311560 PGNOQUFDKRPBHJ-UHFFFAOYSA-N 443.551 0.419 50 20 ICGD CC(C)CN1N=C(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCC1=O 768205542 GNCUYNWNLHAUGH-UHFFFAOYSA-N 437.522 0.785 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1C 768459914 HMIQRTIXCBEFEC-UHFFFAOYSA-N 441.469 0.899 50 20 ICGD CSCCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 769768058 DIVNRJKKVBHMIF-UHFFFAOYSA-N 435.597 0.550 50 20 ICGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772191144 BYZWLCVBDXCOPC-UHFFFAOYSA-N 433.808 0.442 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCc3c(Br)cccc32)c(=O)n(C)c1=O 773188069 BFBBKHMPTLFPSI-UHFFFAOYSA-N 438.307 0.800 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2cccs2)CCO1 773270016 YZJODRLENQKIAY-GFCCVEGCSA-N 441.510 0.444 50 20 ICGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1nccnc1C(C)C 773992080 KULARZDKMODUBK-UHFFFAOYSA-N 436.494 0.941 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)ccc1S(N)(=O)=O 775220560 CVJKENRGGNVUIK-UHFFFAOYSA-N 428.474 0.972 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c(OC)c1 775702150 JWRDMDNXFPXXGW-HNNXBMFYSA-N 427.417 0.921 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 781613491 GXHKTVOUVZQOTN-MRXNPFEDSA-N 432.414 0.953 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)sc2c1CCC2 783428087 SXATWAKSVDTPEE-KRWDZBQOSA-N 429.520 0.550 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 784003225 BZQGEERNPHUFBT-UHFFFAOYSA-N 443.485 0.500 50 20 ICGD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004690 JGOBVEBNMUZWBW-UHFFFAOYSA-N 438.849 0.704 50 20 ICGD O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 786358077 DSOLNAQHEJFKOE-KFZJALRRSA-N 449.847 0.197 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1 787542090 ZSBZEPPVQJTADK-UHFFFAOYSA-N 425.445 0.998 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)cc2C1=O 789810019 KHUMPHBYOFPCBY-YOEHRIQHSA-N 436.424 0.571 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cn1C 789822257 VBSFCOBWGJDQJX-RDJZCZTQSA-N 428.445 0.860 50 20 ICGD COc1cc(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc(OC)c1O 789870770 JKZISZZENVKONE-UHFFFAOYSA-N 443.865 0.714 50 20 ICGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccnc(O)c1 790294555 UEHDNMTUFQZXKA-UHFFFAOYSA-N 431.518 0.942 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 792803596 TVVFQVKLOSMCOK-YWZLYKJASA-N 449.529 0.812 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(C)c2C)c1 793349236 LRQUZXGPMNEEMN-UHFFFAOYSA-N 429.524 0.382 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Br 793448047 QNQPOIOJRAUCMA-MRVPVSSYSA-N 444.267 0.311 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794064505 ZQIXRTAIEPMISM-GFCCVEGCSA-N 440.503 0.489 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@H]2CCCOC2)c1 795277005 XKIUFHWPRAOBCD-AWEZNQCLSA-N 433.552 0.708 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2ccncc2)c1 799834220 KUWPRTINZCETJJ-UHFFFAOYSA-N 433.490 0.868 50 20 ICGD CC(=O)NCCN(Cc1ccsc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 800983695 RVLRBDBIIHVSEI-UHFFFAOYSA-N 428.478 0.717 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 806787359 GGRBSHSYLWFBLG-XDYZINJXSA-N 446.570 0.791 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CCCc2cccs2)ccc1F 806980514 XVNUXSPZNKBZBE-UHFFFAOYSA-N 442.494 0.904 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)Cc1cccnc1 810348908 ZHCKZHWUHLZWME-UHFFFAOYSA-N 432.380 0.649 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 812979892 FWTRUVODCAFWCV-LJQANCHMSA-N 437.500 0.898 50 20 ICGD Cn1cnnc1COCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 814875227 XJRJINTXVSSJLV-UHFFFAOYSA-N 447.459 0.495 50 20 ICGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 815565462 OXSDNBLHQSDGAP-UHFFFAOYSA-N 425.445 0.944 50 20 ICGD CSC[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 859448654 QTRYBGXIHPNYIY-UMPJEAMMSA-N 447.513 0.881 50 20 ICGD COc1ccccc1C(=O)NCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 913391788 BTWQKJJNLOABRP-UHFFFAOYSA-N 439.516 0.785 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3cnccn3)CC2)c1 914829970 LPAFPPSJBSZMPI-UHFFFAOYSA-N 432.506 0.405 50 20 ICGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 916739401 CTUJTYXBYZZQBT-UHFFFAOYSA-N 447.415 0.954 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)N(C)c2ccccc21 919693978 KJOVKRPAOHYMNI-ZDUSSCGKSA-N 445.501 0.239 50 20 ICGD O=C(NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2)c1ccc2c(c1)OCCO2 919957446 LQSSHFWTOFPTJJ-UHFFFAOYSA-N 436.398 0.551 50 20 ICGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 920394917 IGSVMAGASSGGKS-UHFFFAOYSA-N 432.462 0.701 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(F)(F)F 1117392730 WEQXJNLZXIOQHI-JTQLQIEISA-N 426.421 0.055 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1778230573 SSXICDIUVHHEBE-QEEYODRMSA-N 445.944 0.673 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577293 IKEUPMIIKQJOIV-VBKZILBWSA-N 437.880 0.715 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCO2)C1 1779034528 QTCZJNGPRNOKRN-QGWOYLBSSA-N 441.532 0.955 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2 1779198974 BLPNFBOLIJTHSF-LSBZLQRGSA-N 445.589 0.416 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1779559233 BIAVXKOAQHCGFW-KDQZPGIASA-N 448.358 0.435 50 20 ICGD Cc1nnsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212090 TWTVRXAJFCHECD-AUUYWEPGSA-N 438.554 0.347 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934606 DQUIWRPLMQWZPN-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21)[C@@H](O)CCl 1784090340 ADIZRWSNYFNUMN-IKICRFKJSA-N 448.907 0.359 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)N1CSCSC1 1784091391 RWUCKCQNUKYLNH-FQKPHLNHSA-N 438.015 0.609 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1N(C)C 1784092348 HXNYFDXYWFYSMT-BVYOLEPJSA-N 439.940 0.954 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)c1ccccc1 1785533377 UBRVQHPOCIDBAT-HJPURHCSSA-N 437.500 0.932 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1786406070 GRCFQXNDTHCXAL-DCAQKATOSA-N 445.232 0.857 50 20 ICGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccc(Cl)c1 1786880719 ILCFROQQDSLVNJ-SRQBIAJPSA-N 430.332 0.919 50 20 ICGD CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925800 KQLXQJUGYJIXSS-HCUTYNMESA-N 427.336 0.815 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(=O)c1ccccc1 1793429678 NBZGVJJRZXJNQC-WKCHPHFGSA-N 449.316 0.390 50 20 ICGD Nc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)sc2nccnc12 1795704838 WEWUXKSDGNQTIZ-WYFGTUCQSA-N 425.898 0.076 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc([N+](=O)[O-])cc1F 1796191796 YHOBODIWJJZHGM-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796192215 SRIASVNJMJUPNG-IHXHSXLNSA-N 442.321 0.598 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796422495 JHRUSWLHOJVDGE-UYYXNEDZSA-N 430.958 0.786 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ncccc12 1796711788 MLXSVVZUTPXNPN-BTTYYORXSA-N 434.460 0.293 50 20 ICGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N(CC)CC 1797748732 YSHBAHGWOJCTOP-QXGSTGNESA-N 446.552 0.009 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1797952987 WYYSCQQZSAESON-CCWDJLKJSA-N 436.585 0.576 50 20 ICGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)cn2[nH]cnc(=O)c12 1797957645 SXABLRZSSDRCKG-XOIINTDNSA-N 447.568 0.386 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494849 XIXGORRAKNTGEJ-VPLZWRQESA-N 444.492 0.466 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1NC(C)=O 1798606342 AJUVUKDWWPMCMY-CXHZTBPHSA-N 439.896 0.457 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)nc1 1799094329 ATBXEXJXBYDCRO-JYYAWHABSA-N 425.913 0.737 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1802883135 JNXLMSRHSCOUCT-OPYAIIAOSA-N 446.552 0.375 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cscn1 1805742610 TXBNNLHZXJRBQU-QFBILLFUSA-N 436.302 0.851 50 20 ICGD COC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361360 WVCDAGBEPUHAJA-MJGOQNOKSA-N 425.294 0.506 50 20 ICGD CC(=O)c1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n[nH]1 1807930108 VVPRELDHPWTCLY-UHFFFAOYSA-N 438.293 0.451 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811593794 WAVQTOMKZMOKCR-QRWLVFNGSA-N 444.492 0.255 50 20 ICGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cccn1 1815347519 BOGGWQLTIWWPIE-WFASDCNBSA-N 439.306 0.506 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469802 FAFFUGSKBXWUGQ-CXAGYDPISA-N 441.297 0.310 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cnsn2)[nH]n1)c1ccc(B(O)O)cc1 1817470859 JGIMFYBKCCYOBW-OAHLLOKOSA-N 426.267 0.561 50 20 ICGD C[C@@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)O1 1818871995 GGZNBYOYLHQJHR-JEBQAFNWSA-N 426.282 0.963 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccc(CO)o3)sc2C1)c1cccc(B(O)O)c1 1820529755 UDYFPBWPQAWMFU-ZDUSSCGKSA-N 441.274 0.448 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCNC(=O)C2)[nH]n1 1822416798 PZCFMYKMUSJXFP-DZGCQCFKSA-N 433.513 0.301 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824677823 ZRKKLNUGERQJSJ-YUMQZZPRSA-N 447.311 0.382 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)c1ccc(B(O)O)cc1 1828185466 UQXFEJAWQNWEAN-HIFRSBDPSA-N 429.307 0.475 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723238 MPDNPONLCWBMCH-QFBILLFUSA-N 431.316 0.939 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1O 1830731802 MPTZSWBRISOCNB-HNAYVOBHSA-N 428.869 0.071 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733980 XMYIQRFJDCXDPH-HNAYVOBHSA-N 448.850 0.958 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830735734 MLQRQROMOZKGFV-XAUMDUMWSA-N 426.897 0.510 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831107583 MYCXXBKCOKAUIW-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1832296910 FUOBTZOCLMOJTM-DYVFJYSZSA-N 434.331 0.095 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(Cl)n3)CCO2)C1 1833178122 ARMCLDDRIRELHH-KXBFYZLASA-N 446.331 0.988 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1833865473 VHGLINIMGFPEFZ-MSOLQXFVSA-N 449.335 0.735 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)nn1C 1834115286 LCODKBYHEIODFP-UGSOOPFHSA-N 443.342 0.830 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)c(C)c3)CCO2)C1 1834582075 YXASALLTXZWNNL-OXJNMPFZSA-N 441.912 0.722 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801325 YFATUPKMRUKJCR-HJPURHCSSA-N 427.354 0.598 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c(O)n1 1834823762 IZRSEGHDXMLZSM-SFHVURJKSA-N 442.310 0.951 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnn1 1834824773 LVNUMQYEKFZCCM-XJKSGUPXSA-N 430.303 0.081 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1836071619 REYWXHLJZUIGJQ-GOSISDBHSA-N 426.546 0.228 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836183902 MCELJCYTTAOFDK-YLJYHZDGSA-N 425.913 0.724 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836614016 ASAXDETTXQUOPM-OAQYLSRUSA-N 448.300 0.109 50 20 ICGD O=C(Cn1nccn1)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1838648831 LPFHYSBQAXMIEX-HNNXBMFYSA-N 432.294 0.967 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839151960 JKHKTDRDKZLAIF-AYOQOUSVSA-N 445.347 0.774 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200224 HMZLURNVPUIJLL-CZUORRHYSA-N 431.262 0.546 50 20 ICGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200768 MOTLOCJEBDXZEM-CZUORRHYSA-N 436.253 0.925 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630863 WMYZGYBORBUPAB-AUUYWEPGSA-N 437.884 0.282 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839966512 HKBNYFMPNBBXNU-SUNYJGFJSA-N 446.342 0.143 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030057 ZKCODPYIJNZSNB-DYJXEPLRSA-N 444.326 0.085 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccc4n3)C2)C1 1840152688 PVLPAYGSFZMEEZ-YCRPNKLZSA-N 448.907 0.954 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3C)CCO2)C1 1840389062 ZUMTUPBNYKMHHA-FXAWDEMLSA-N 442.944 0.682 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840486866 CXKZIVAPUMLYOH-SGSXCFNPSA-N 434.569 0.798 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924088 UDESHWXSYQXMCG-OLZOCXBDSA-N 430.933 0.833 50 20 ICGD O=C(c1cncc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014147 CIAHTWUMIWHVEQ-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300366 AQXDNUYCDLLVSR-GLVJVNMESA-N 444.492 0.853 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2c(C)nc3ncnn3c2C)c2ccccc2c1=O 17190076 FIJUWIXPYSURIO-UHFFFAOYSA-N 434.460 0.865 50 20 ICGD CN1CC(=O)N(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O 726094928 PYNIAOCNKRSEQU-UHFFFAOYSA-N 433.428 0.589 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1OC 726282002 HSRCSQQHCNIGTK-NRFANRHFSA-N 441.444 0.903 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)n1 729293685 WOODADWEFRZSLI-HXUWFJFHSA-N 446.529 0.883 50 20 ICGD CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816976 XSRDPHPFOKNOCJ-UHFFFAOYSA-N 427.508 0.527 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 733758332 YQQSMFAVMDOFON-INIZCTEOSA-N 449.423 0.996 50 20 ICGD CN(CC(=O)NNc1nc2ccccc2c(=O)n1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737854559 MTQAUQCBWFXVIM-UHFFFAOYSA-N 446.445 0.606 50 20 ICGD CN(C)c1nccc(NNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 740114096 PJHYSWKOWZCQMF-UHFFFAOYSA-N 429.506 0.958 50 20 ICGD COc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(NS(C)(=O)=O)c1OC 742471473 QZLGTKPTNYBQNH-UHFFFAOYSA-N 448.457 0.787 50 20 ICGD COc1ccccc1NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 750227488 BLWOFRLSPHIDOS-UHFFFAOYSA-N 443.479 0.852 50 20 ICGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)CNC(=O)c1ccco1 751202730 WEIFZAGDFYRQEN-OAQYLSRUSA-N 439.428 0.156 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)CNC(=O)c2cccs2)nn1-c1ccccc1F 751208369 CIGSCEZLPQIWAG-UHFFFAOYSA-N 429.433 0.933 50 20 ICGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 752503918 PWNHMTBNYXEJQO-UHFFFAOYSA-N 438.853 0.759 50 20 ICGD O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)c1csc(N2CCOCC2)n1 752898581 MTXYCXCBZPLEMS-ARJAWSKDSA-N 441.473 0.812 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)C1CCN(c2ncccn2)CC1 753904913 LQINSBPSBSRRPY-JKSUJKDBSA-N 436.538 0.475 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 756087352 JBZASPUPRQTUSF-CYBMUJFWSA-N 425.511 0.793 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(F)cc2F)n1 760177649 KOXPXKQATUPSAF-UHFFFAOYSA-N 426.401 0.393 50 20 ICGD CNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 761137460 JADFYFYIUWVNSO-UHFFFAOYSA-N 439.881 0.831 50 20 ICGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNc1nccc(N2CCOCC2)n1 762854527 CDQCOJKSBSXLNI-UHFFFAOYSA-N 425.493 0.914 50 20 ICGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3cc(C)oc3C)cc2)CC1 763583318 LUCVJFQLQJTVTN-UHFFFAOYSA-N 441.488 0.960 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 763602194 WCNHEWJDUNYFTM-UHFFFAOYSA-N 436.428 0.731 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(Br)c1=O 763682762 ZLNAIFAFCQQLCU-UHFFFAOYSA-N 448.233 0.184 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1S(=O)(=O)N1CCCC1 763816095 DZIPWTUSEWZEPF-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1-n1nnnc1C 763840587 VFJCZKBUFZCESG-UHFFFAOYSA-N 443.395 0.283 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763872705 OJTPOYZKFMXCMX-JTQLQIEISA-N 428.376 0.605 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 764000789 YXXJUZYNJDNIRN-GFCCVEGCSA-N 437.474 0.639 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764150766 BCOHLHUBIFMQCA-INIZCTEOSA-N 432.458 0.027 50 20 ICGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)CC1 764165355 XLKHRXZFDIYLNL-HXUWFJFHSA-N 437.500 0.918 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226602 IXBDOZUWTOUGNT-QMMMGPOBSA-N 435.300 0.035 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(F)c1I 764295745 QJRVOBXPPUXMJF-UHFFFAOYSA-N 431.165 0.862 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)cn1 764358484 GNVKEYURHAJSQW-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 764577334 LYTLCCFPKABCCY-HNNXBMFYSA-N 431.453 0.449 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1CCCO[C@@H](C)C1 764578345 SHZWMZZQGOSOQW-AWEZNQCLSA-N 440.570 0.733 50 20 ICGD CCc1nnc(O)c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1CC 771014481 XKFRPNXXCRRKIG-UHFFFAOYSA-N 448.549 1.000 50 20 ICGD CC(C)[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 772608360 VCXGPWBFKUQTMC-WBVHZDCISA-N 440.570 0.847 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)NC(=O)NC1=O 772884779 PAGSKWBPGLMJAO-FQEVSTJZSA-N 443.847 0.472 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@@H]2NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 773188027 AQFZSJVUWSHTIA-JTQLQIEISA-N 426.499 0.121 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1C 778427447 YGTQSQKTEKEAHU-UHFFFAOYSA-N 449.489 0.740 50 20 ICGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC2=O)c(OC)c1 778436584 LZOVZYQQNFPDBV-LBPRGKRZSA-N 436.465 0.729 50 20 ICGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@H](C)O1 783996027 AYLRUCJFRWRAFB-GJZGRUSLSA-N 431.493 0.004 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 784000142 WVSBWOJVFHSVCJ-UHFFFAOYSA-N 431.493 0.260 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 785225028 BAISBLAQFSNQEY-UHFFFAOYSA-N 443.512 0.660 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 789736007 YNVIADSRABETDH-NAKRPEOUSA-N 429.524 0.070 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3ccccc3c2)c1 793026056 ONDKGIPLKOVXQT-UHFFFAOYSA-N 447.451 0.797 50 20 ICGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 794860109 DEAXTEJIWVSHIR-MRVPVSSYSA-N 425.872 0.026 50 20 ICGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369499 WCMUQEUEELCCFJ-HNNXBMFYSA-N 444.448 0.284 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cncc(-n3ccnn3)c2)cc1 801798243 SHOHVURNIYKBFW-UHFFFAOYSA-N 429.462 0.052 50 20 ICGD O=C(NNc1ccc(-n2cccn2)nn1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 807002431 XVDNVBQZANVLHL-UHFFFAOYSA-N 444.402 0.859 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3c(C)noc3C)n[nH]2)cc1 810146952 APTZXXHGJDRZLK-UHFFFAOYSA-N 432.462 0.729 50 20 ICGD O=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 821740072 UUYQTDYNQUDJFD-UHFFFAOYSA-N 425.357 0.309 50 20 ICGD C=CCn1c(Cl)c(C=NNC(=O)C(N)=O)sc1=NS(=O)(=O)c1cccs1 916272363 OVTJEPCNONDFAF-UHFFFAOYSA-N 433.924 0.676 50 20 ICGD COc1ccc(OC)c([C@@H](O)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 916473398 ORMLQFWJICBEQE-INIZCTEOSA-N 427.421 0.357 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCN(c3ccccc3)CC2)c1 916514960 VSGMZWHKXYPJPC-UHFFFAOYSA-N 445.545 0.856 50 20 ICGD O=C(CN1CCN(C(=O)Cc2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 917111887 PWQHGPPVEMULDQ-UHFFFAOYSA-N 425.445 0.743 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCC[C@H]1CCNS(C)(=O)=O 917159294 RHOMRAJWDXHAMX-AWEZNQCLSA-N 446.957 0.903 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C 919689291 IBSSQGJTPLADDQ-ZDUSSCGKSA-N 427.461 0.421 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 1328430685 MKCATKIXRQXQGX-NSHDSACASA-N 439.412 0.328 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1780095202 JLOGWBRHTHXOBQ-WIYYLYMNSA-N 449.460 0.981 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105194 NONCMSLBRZOKBA-IIDMSEBBSA-N 431.375 0.236 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1781474332 MHHVORYCGBZFTO-PMUMKWKESA-N 434.990 0.238 50 20 ICGD O=C1CSc2ncc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2N1 1782421197 NFEVLBVIRQRBCM-SCLBCKFNSA-N 440.909 0.169 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCS1 1782753325 VCZLDVCBCWMDAK-DBXWQHBBSA-N 432.351 0.390 50 20 ICGD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Br)Cc3ccccc3)C2)C1 1783024015 SQRNTDYYZCMCFA-BXWFABGCSA-N 439.354 0.109 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783349973 XRHLHMPQZNLJHD-BMIGLBTASA-N 430.259 0.935 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1783882095 VDXQBVHDBYVKTD-KUHUBIRLSA-N 433.933 0.983 50 20 ICGD COc1cc(C)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934194 AESVJLGTSLPJGF-JOCHJYFZSA-N 432.521 0.820 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938374 WXZQVIZHDSAVTO-IERDGZPVSA-N 433.509 0.052 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1783965447 LTLHOCANCKXBTN-SDADXPQNSA-N 427.343 0.973 50 20 ICGD Cc1c(F)cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982130 OBEDEQJAVPYBPW-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)[C@H](O)CCl)CCC2)cc1)c1cc(=O)n2[nH]cnc2n1 1788137126 YMGKIPMXHXIQRM-CQSZACIVSA-N 430.852 0.765 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1791257122 PPUUPZDBHHQJAV-MHEUCROKSA-N 439.875 0.716 50 20 ICGD CCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791738079 UHTKVPNMQVMEGA-VYOPWZLOSA-N 433.509 0.527 50 20 ICGD COc1ccc(OCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1792801545 ZSQWDEFXACNXAG-REPLKXPHSA-N 438.289 0.706 50 20 ICGD Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739757 JYABPUFNKQSBHZ-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443677 VAMCOSHOWIKZIP-DMRZNYOFSA-N 425.493 0.703 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2nc1O 1799922331 KIMKCUDIGIWQEV-OCVGTWLNSA-N 434.880 0.792 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800644008 CSLCWQOGQIDZAT-DTHBNOIPSA-N 444.248 0.428 50 20 ICGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1C 1800822496 ITSHSXANIWVEII-FEJSZKPUSA-N 446.548 0.509 50 20 ICGD COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801707548 NANNBPMPDWIWGB-VPTLXERWSA-N 432.521 0.580 50 20 ICGD CC[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1801797316 ATKFSFVENIEYOL-WRWGMCAJSA-N 437.298 0.843 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1803744489 XEQMJIMVFSWMFB-FOIQADDNSA-N 441.492 0.270 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cc2cncnc2)[C@@H]1c1cccnc1 1804654391 QJKUKVPGZUETIV-GCJKJVERSA-N 439.520 0.493 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373350 CIQDCWVWLKNDRU-ZVDOUQERSA-N 437.305 0.508 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966580 GWNIRBDOUJQQIW-MRXNPFEDSA-N 429.326 0.078 50 20 ICGD COCCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299454 QOIVNNICZBESNY-HNAYVOBHSA-N 426.477 0.436 50 20 ICGD N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1811535365 JLXRGLRDBYJJCX-NQIIRXRSSA-N 443.272 0.595 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1813030124 DQCQERJXPVYNMR-VHDGCEQUSA-N 435.868 0.856 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361534 IXEXFSBWTXGRJD-OLZOCXBDSA-N 437.714 0.303 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817107647 SEHQESZVJXIGQH-JGVFFNPUSA-N 427.870 0.824 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819449448 XNOGJRZAWRYVMY-XAYKYTGQSA-N 429.905 0.306 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccnc1)CC2 1819795590 PICOEKNBNAVRDA-LLVKDONJSA-N 440.489 0.264 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)[nH]n1 1822413930 HVFNFUZZGAMHJS-AWEZNQCLSA-N 445.480 0.895 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060578 RBNFSFIQBUQKEB-LAUBAEHRSA-N 429.370 0.940 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829944740 MYWPZLHSPGBBSQ-GLJUWKHASA-N 446.342 0.000 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1831826895 APBXYNBVOPYIAU-CABCVRRESA-N 428.917 0.412 50 20 ICGD O=C1NCc2cc(C(=O)N3CCC(N4CCC(NC(=O)[C@@H](O)CCl)CC4)CC3)ccc21 1833309829 ALWUTCUUSXPFIE-IBGZPJMESA-N 448.951 0.715 50 20 ICGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)CC)C3)C2)cn1 1833435034 OKGFQZYIXBPICF-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c1F 1833739824 NXHWRNRZFPOEPZ-APPDUMDISA-N 447.305 0.965 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)nn1C 1834116671 KUVUOJRGQRVXOZ-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD O=C(CCC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834670239 AUNICACGCGDDMJ-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C)CCO2 1834899627 WFRBEOZVCAPBFC-CPOKCXMASA-N 433.509 0.623 50 20 ICGD O=C(COCc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835365278 PUVOMCFDHFQSGE-PXNSSMCTSA-N 426.897 0.259 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835836632 SRCPJYJQYYOWRN-QKLQHJQFSA-N 440.928 0.182 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1836000152 YLIPNXKBJWHCQJ-KSSFIOAISA-N 442.310 0.088 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868051 QRZNLKDJICBZEE-DYVFJYSZSA-N 427.299 0.578 50 20 ICGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839624040 OPXCPIQIIRXQNA-CXAGYDPISA-N 429.811 0.473 50 20 ICGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)Br)CCO3)C2)c1 1840036523 MXGHKTJXNGRGGF-IIDMSEBBSA-N 443.342 0.992 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)c1F 1840150056 FUQHODQPRRRJJF-XIKOKIGWSA-N 432.880 0.435 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1840152675 PMPUYOOECMTSLN-UTKZUKDTSA-N 448.907 0.954 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc1 1840184880 DTPFUGQDMMHFDZ-QHCPKHFHSA-N 446.548 0.692 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447868 JRWOGVIPWQYCBW-DLBZAZTESA-N 434.324 0.361 50 20 ICGD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1)C(=O)O 1840835876 MCYNBBCXBVSXIG-MWZXSIIFSA-N 433.299 0.505 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cncn2)c1 23447975 CSDBVLRWYXKPOC-UHFFFAOYSA-N 444.473 0.939 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC 728178437 HVRKDVPTIJZGOH-OAHLLOKOSA-N 447.579 0.832 50 20 ICGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c2cnn[nH]2)cc1 729456122 RPXXUBRICCGMJO-CYBMUJFWSA-N 442.523 0.065 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 731849163 SYOMZNKPOPLUTR-ZDUSSCGKSA-N 427.483 0.155 50 20 ICGD CC(=O)N1c2ccccc2C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732334844 APZNPVBTUNFXSH-KRWDZBQOSA-N 426.385 0.877 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN(C)C)c1 733359652 VRZJIBQIPWJMKY-UHFFFAOYSA-N 435.344 0.802 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H](C)CN2CCOCC2)c2ccccc2c1=O 739047590 BXVHFEAVSCORES-HNNXBMFYSA-N 430.509 0.890 50 20 ICGD CCc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1S(=O)(=O)N1CCOCC1 740746891 WKMUTVPKBCBKFV-UHFFFAOYSA-N 431.478 0.693 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(Br)ccc2O)c1 743731286 NZJLGHPTNMSCAN-UHFFFAOYSA-N 431.268 0.808 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2cc(Br)ccc2=O)cc1 744714793 HYCYBKXVZSATAW-UHFFFAOYSA-N 433.218 0.487 50 20 ICGD CCCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751270496 AVGHWDIRQQYPJM-UHFFFAOYSA-N 432.446 0.820 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 751426758 UVIRBZVDOKZCNG-HUUCEWRRSA-N 426.539 0.174 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 756705627 LSBROZYAUSZWGS-GFCCVEGCSA-N 425.467 0.480 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c(OC)c1 756741113 CTJOWVZQSLKWLX-UHFFFAOYSA-N 441.404 0.933 50 20 ICGD CN(C)CCOc1cc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccn1 762530514 YMSLYUYQVGYBQC-UHFFFAOYSA-N 425.453 0.142 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CN1CCOCC1 763468294 WBNMIRDGZQEVEY-UHFFFAOYSA-N 427.417 0.827 50 20 ICGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763673336 CTVHSGDQBBOJDM-UHFFFAOYSA-N 430.392 0.887 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 763871314 FTOPMEDUVUSBRM-GFCCVEGCSA-N 437.449 0.924 50 20 ICGD Cc1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)nc1 763998146 MMWQEGLHHZMJHN-ZDUSSCGKSA-N 432.458 0.703 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005950 GSFXMLWXOCFQEU-UHFFFAOYSA-N 428.401 0.442 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(OC)c1 764283549 BWUOVYGEOFFQFX-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD O=C(CO)NNC(=O)C(=O)Nc1cc(Br)ccc1I 764430658 YLQPHSOQMPFEKR-UHFFFAOYSA-N 442.007 0.132 50 20 ICGD COc1cc(C#N)ccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766353585 KMALBJYMNWMRTN-UHFFFAOYSA-N 438.487 0.440 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)no1 766663714 MGIFZZMKHLXGNR-UHFFFAOYSA-N 434.884 0.540 50 20 ICGD Nc1c(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccnc1Br 768598210 VZKXRWUFVPUNIQ-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 776720866 JNOBLTABTAAJAT-UHFFFAOYSA-N 442.475 0.810 50 20 ICGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 779472939 ABWXMTXDUAOSAZ-KBXCAEBGSA-N 448.483 0.971 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COCc2ccccc2)[C@@H](C)O)cc1 779518822 HRUCDEUGTAMBTB-BEFAXECRSA-N 435.502 0.387 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3ccc(C)nn3)cc2)CC1 783954727 ZWVXJIYSXSTRJK-UHFFFAOYSA-N 427.465 0.162 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ncccc3Cl)cn2)C[C@@H](C)O1 784820937 DIRBTSMCOJTDAC-TXEJJXNPSA-N 435.872 0.649 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c(OCCN(C)C)c1 785068206 VZOOBXRSLUUAHM-UHFFFAOYSA-N 438.488 0.912 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 785330811 MZHPXWILDHAIGF-UHFFFAOYSA-N 435.458 0.958 50 20 ICGD CC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 785956257 QGUXVLLCMGHSDM-LLVKDONJSA-N 444.819 0.439 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 786576133 OCWHSSBYDCUIMT-GXFFZTMASA-N 445.350 0.070 50 20 ICGD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccn2C)cc1[N+](=O)[O-] 787927392 CYMSJIGEAKNAAL-UHFFFAOYSA-N 438.466 0.493 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 789852573 AGASNBGTLTUQMR-UHFFFAOYSA-N 429.458 0.951 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cn(C)cn1)N(S(C)(=O)=O)CC2 794486146 OHBCNXPXJOONJI-MRXNPFEDSA-N 435.506 0.837 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c(C)cnn2C)c1 795276244 NDEWYZZNTIYFHS-UHFFFAOYSA-N 429.524 0.382 50 20 ICGD O=C(COC(=O)[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 795739072 IJKRMSMRJDJYSQ-SMDDNHRTSA-N 431.367 0.401 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797534680 CSTKNLDUSGVZKW-UHFFFAOYSA-N 431.880 0.896 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 801105529 GJXWSMKFRJQANB-UHFFFAOYSA-N 438.488 0.605 50 20 ICGD C[C@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 802046410 NCIWQMXGBVTXMM-OJGWYHNPSA-N 438.387 0.992 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3OC)c2)nn1 812979475 VMTXPBHWRCZMHY-UHFFFAOYSA-N 438.400 0.462 50 20 ICGD Cc1nnsc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 813850492 ZDBYWPWROVZHLA-UHFFFAOYSA-N 440.507 0.012 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 838617199 LFVYNXVCNLOILL-UHFFFAOYSA-N 444.477 0.057 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc(OC)c1OC 915060202 OAUWERNPLAFLRF-UHFFFAOYSA-N 426.451 0.366 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nnc2n1CCC2 1116011608 CYQCLIIBHORSLQ-CYBMUJFWSA-N 447.521 0.714 50 20 ICGD O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)[C@@H]1COc2ccccc2O1 1317653028 QRHKVZIACDSOQH-CJWRWJRQSA-N 430.457 0.848 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1342990339 VIMPOUVGGZYJCK-GFCCVEGCSA-N 428.536 0.264 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115956 RMTKILRBESCDNH-CRAIPNDOSA-N 435.974 0.505 50 20 ICGD Cc1noc(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028473 MDJJATPRLDYHCD-FQEVSTJZSA-N 428.449 0.047 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)cc1 1781332945 ADMQXCHSRCLIET-GUYCJALGSA-N 428.258 0.920 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)no1 1783534597 WWPKSAUXSIRLFH-PXAZEXFGSA-N 443.298 0.326 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1783965375 KAODVCGSKNTKKB-ZPFDUUQYSA-N 443.298 0.512 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784791281 SMQSCXWLRDYFLV-GLCFDMNSSA-N 433.534 0.846 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cccc1C=O 1786994942 ORUTYEAXFFHWSE-CAMMJAKZSA-N 447.536 0.214 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)o1 1787779783 DHBCPAFKNRSCCF-QRTARXTBSA-N 432.669 0.520 50 20 ICGD Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)nc2ccccc21 1787973655 KZFCSGSZRACZMO-PYTWLRIVSA-N 448.907 0.127 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1788471078 FGXAMBBFOUHYIS-RIQGKHGASA-N 440.324 0.267 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1790963354 GDPPVGGMEVRFFL-LXFSFDBISA-N 430.343 0.666 50 20 ICGD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979760 FOFVDSHANNMWNP-YHYOWMERSA-N 429.832 0.845 50 20 ICGD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1794265297 CJNXXRKYVCYLLS-GNXNZQSNSA-N 425.283 0.169 50 20 ICGD COc1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1794683818 FZIWENPQDCGGJI-SSJPOKSSSA-N 439.476 0.871 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188866 VNGDXFBVZHSFPU-HVRZVKTKSA-N 429.282 0.147 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)c1 1796366729 ATXQZDQABXFZKN-ANGCBRKESA-N 436.864 0.967 50 20 ICGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)cn1 1800757836 LGNNREGNYRFBKP-OHTBPHCPSA-N 427.299 0.862 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016249 PMSGBAPIKYFQRH-HSXGWXLXSA-N 430.292 0.514 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC2(CCC2)C1 1801596730 MCLMLSUVRKWXQR-JLVBRIDZSA-N 427.505 0.469 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1804784205 RRNLGFXSIJBFJS-DYESRHJHSA-N 440.504 0.408 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnsn1 1804993919 FHNITNPXBNHZEI-MAUKXSAKSA-N 437.290 0.246 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364292 PRCYAXIIYDOZLL-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1n[nH]cc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303272 SUWXBORJCIASNY-DNVCBOLYSA-N 448.487 0.745 50 20 ICGD Nc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cs1 1815339887 RVCJRBXMRPQUKA-LLVKDONJSA-N 443.319 0.401 50 20 ICGD O=C(CCN1CCCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815363982 FCUZCWPZHLAQSC-INIZCTEOSA-N 442.350 0.535 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1819463271 NPJVWDYMHOUXAW-AMIZOPFISA-N 449.327 0.905 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccn1)CC2 1819794650 AITDWMAHGGCIHL-SNVBAGLBSA-N 438.473 0.471 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1823806360 QWNAVVBINOOQBR-JOCHJYFZSA-N 441.381 0.942 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826084155 ZUKSXBGWKFRNBI-VXGBXAGGSA-N 438.554 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)c1cccn1C)CC2 1826091822 FERIQCHVXMJHIV-GFCCVEGCSA-N 446.533 0.650 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053252 HFUUGNSKLYXCNS-UTKZUKDTSA-N 429.370 0.940 50 20 ICGD CN1CCC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CC1 1827056407 YIULBVLQUMKENK-JOCHJYFZSA-N 441.381 0.942 50 20 ICGD C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)C2)C1 1829668178 IJVYDQDMUZGILQ-ZHNJOBQTSA-N 443.504 0.543 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907257 DIULPGUOWAEFFT-GHTZIAJQSA-N 435.908 0.811 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731119 HFYSMQYYDMSHIO-WIYYLYMNSA-N 448.907 0.542 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831727970 XFJYWCWXJURGDN-YVEFUNNKSA-N 443.298 0.283 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832056504 MRLSNVCBQPDGRI-MPGHIAIKSA-N 432.359 0.568 50 20 ICGD COc1cccnc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832855637 QLSHNLNGJYYQGL-OXQOHEQNSA-N 441.912 0.079 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310268 OPAXJKSBIMUPFQ-QGZVFWFLSA-N 448.955 0.823 50 20 ICGD CC(C)(C)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797976 ROFONMGDKIACJK-UHFFFAOYSA-N 429.370 0.988 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835800958 DZSPAJDQPSSZNK-MRXNPFEDSA-N 447.355 0.889 50 20 ICGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1836731546 ITWKNARLTDLGOY-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839155447 UJKKUPFKYXEFMM-CVEARBPZSA-N 443.349 0.497 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)nn1C 1840030577 PPABBFYJOXFMIG-KBXCAEBGSA-N 443.342 0.511 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031687 ZQMPBUGUVPKKCQ-SJKOYZFVSA-N 445.314 0.282 50 20 ICGD Cc1nnc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1842054831 ZTBLOEBAZWTAOQ-UHFFFAOYSA-N 429.506 0.295 50 20 ICGD Cn1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C(F)(F)F)n1 1844464196 VUGRAOYSNLGIBT-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(OCCCO)cc2)C1 1844705033 BTKQPWKXXSGMBE-UHFFFAOYSA-N 438.289 0.258 50 20 ICGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)CO[Si](C)(C)C)C2 1846256848 COVBMQHDOPMRSJ-UHFFFAOYSA-N 446.617 0.738 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)C(C)(C)C)NC(=O)NCc1ccccc1 1847528694 YUCRDKGEALRCGA-CMKODMSKSA-N 445.564 0.941 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)COc2ccccc2OC)c1=O 15668641 HRJSZKILQTZXAO-UHFFFAOYSA-N 426.429 0.418 50 20 ICGD O=C(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)NNC(=O)[C@H]1COc2ccccc2O1 728330377 JCENFBVQIRRWFC-QGZVFWFLSA-N 442.428 0.395 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1 729274809 DPZCNVSNCHHGPW-VIFPVBQESA-N 430.284 0.334 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731622631 NSIJFMMJDXSAQO-YESZJQIVSA-N 432.502 0.429 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 732084534 NNRHDHVICJWTGX-UHFFFAOYSA-N 430.284 0.610 50 20 ICGD O=C(NNC(=O)c1nccn2ccnc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 743286546 ZTZDUFTWOJXNHU-UHFFFAOYSA-N 428.474 0.979 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CC3(CS(C)(=O)=O)CC3)cc2)CC1 746883858 XIQNJUHJEGOLGY-UHFFFAOYSA-N 444.579 0.281 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 748611391 NNHVBJRIJXTUGE-ZDUSSCGKSA-N 432.430 0.856 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 757726055 GVOIMFOPFQNUFK-CQSZACIVSA-N 427.527 0.642 50 20 ICGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccccc1C#N 757870992 CDEPZFLUACVXJJ-HNNXBMFYSA-N 446.489 0.963 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 758044466 MFHVNAIPDPOTGI-MRVPVSSYSA-N 437.375 0.729 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(O)n1 763530856 JIQZTYAFVUYKQS-UHFFFAOYSA-N 426.477 0.394 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 763644004 CUXNBYQBCPYBPX-UHFFFAOYSA-N 438.444 0.353 50 20 ICGD COCc1cccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 763719175 VVVCSBIYSMIMAD-UHFFFAOYSA-N 434.474 0.483 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 763760402 MGKBLVZPTQGUHR-UHFFFAOYSA-N 439.472 0.625 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 763822127 WDNFSPWQVVOPHH-UHFFFAOYSA-N 440.456 0.632 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763839016 XJPMDWYJEXCSAG-CYBMUJFWSA-N 442.403 0.196 50 20 ICGD COC(=O)c1sccc1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763945102 WLKVNKKJFLGGIT-UHFFFAOYSA-N 429.414 0.826 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cc(-n2cnnn2)ccc1F 763996668 ZJSGINNINYUTET-UHFFFAOYSA-N 437.189 0.292 50 20 ICGD COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764132394 NLEQHILWOXCQQM-UHFFFAOYSA-N 449.485 0.444 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764167742 MCHNAAFIMBJSQN-KRWDZBQOSA-N 426.429 0.291 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764184587 RBEXMPKUWACYQL-UHFFFAOYSA-N 445.520 0.415 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 764251197 QRKAGNQLUNFRBI-UHFFFAOYSA-N 442.400 0.596 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cc(F)c(F)cc1I 764292474 BHKVXJCOHFXJSQ-UHFFFAOYSA-N 449.155 0.621 50 20 ICGD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435467 VROZBWIEIRVNFL-QGZVFWFLSA-N 432.477 0.559 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)NCCSC 769769480 UPANJZNZHSGSAT-UHFFFAOYSA-N 448.592 0.188 50 20 ICGD CC(C)OCCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 783702347 WFZOUWDYXYRTPE-UHFFFAOYSA-N 441.550 0.993 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3Cl)cnc2n(C)c1=O 784381804 NCHLEELKSUJHSB-UHFFFAOYSA-N 447.795 0.276 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 786428215 YJUOPQYFFKCNHF-JOCHJYFZSA-N 444.557 0.986 50 20 ICGD C[C@]1(NNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCS(=O)(=O)C1 786967328 VMPNVJVTAKDYAI-YJBOKZPZSA-N 430.477 0.837 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787894602 ACTCBAATXKUBQK-UHFFFAOYSA-N 428.287 0.917 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 790952847 WTIYBPQLBXKRAL-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1Br 792268332 LYXNGKFTGHQJAV-ZCFIWIBFSA-N 441.691 0.126 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNc2nc3ccccn3n2)cc1 792392152 UBVMFXDEUCSNQW-UHFFFAOYSA-N 431.478 0.842 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 792803483 TVVFQVKLOSMCOK-FOIQADDNSA-N 449.529 0.812 50 20 ICGD CN(CCNC(=O)NNC(=O)COc1ccccc1O)S(=O)(=O)c1ccc(F)cc1 798098341 YUFURCSRKUVDBZ-UHFFFAOYSA-N 440.453 0.561 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802065450 AMGGXELPQRBPMH-OAHLLOKOSA-N 446.551 0.837 50 20 ICGD CSSCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 803477757 JTDQSQJIPREIOE-CYBMUJFWSA-N 426.607 0.896 50 20 ICGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 806966456 HJXPUHAGEPMDGW-UHFFFAOYSA-N 430.284 0.611 50 20 ICGD Cc1nnsc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 813850254 VDPRBXHXVWNJIR-UHFFFAOYSA-N 426.528 0.004 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCC3(CC2)OCCO3)cc1 916412888 QYTKLNONJABCGL-UHFFFAOYSA-N 440.522 0.632 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918783205 VPWUCDMUKPEBSD-JTQLQIEISA-N 435.380 0.724 50 20 ICGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCCc2cccs2)c(F)c1 920834017 UGAFVQATDKIFSF-UHFFFAOYSA-N 436.512 0.994 50 20 ICGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 1319303356 PQXRAFGPCJECTG-UHFFFAOYSA-N 430.896 0.413 50 20 ICGD Cc1ccc2[nH]c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc2c1 1777740179 RSXXLDMSJNPLOA-XMMPIXPASA-N 447.300 0.913 50 20 ICGD CCOc1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780550066 QYCKQEGMKGNTQS-JOCHJYFZSA-N 432.521 0.902 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782215195 XTAGYNLCUPTBRU-YQSPIZQZSA-N 447.536 0.585 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])CCO2)C1 1783875814 TZORTLYMGGHOOJ-XIKOKIGWSA-N 442.856 0.696 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]3C2)CC1 1789868146 PFYDWPXBTFVFLE-IUVQAAGXSA-N 435.396 0.450 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2)c1ccc(B(O)O)cc1 1795734255 LIOZBUULXGOUBP-UPHUGPLXSA-N 434.257 0.630 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891890 NDFGOLPYNZJHEZ-GIZHOCQZSA-N 445.524 0.466 50 20 ICGD C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748606 LQNYXHFCBDJDLU-HGKCTWBKSA-N 427.505 0.657 50 20 ICGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801013338 PUMFNNRPXPASSY-FEJSZKPUSA-N 446.548 0.590 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CC1(F)F 1802000956 UGXQWXNFBMVPND-RLFDMKJRSA-N 437.447 0.755 50 20 ICGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803139521 QIBRXJOFNBBHJN-BSWAZPDLSA-N 437.953 0.714 50 20 ICGD Cc1nc[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808675542 GEBKOXHRFGHING-XLIONFOSSA-N 433.277 0.426 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1F 1808884452 PIMTVQFIQGNCCO-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1810422052 GHHHMEHHGFKWIR-VGOFRKELSA-N 441.536 0.735 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1c1cccnc1 1813071843 YRAWNXZAEOOGIJ-UZLBHIALSA-N 427.509 0.508 50 20 ICGD CCN(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348638 URPIVYHOGOHGOI-IUODEOHRSA-N 430.339 0.389 50 20 ICGD COC(=O)C1(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CC1 1815360037 JNBGMMKEMQOIKS-ZDUSSCGKSA-N 443.290 0.002 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401780 ADRWZVBTMWOPGQ-HNNXBMFYSA-N 443.464 0.667 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1819513524 VCPRELFZLRKSAW-NILFDRSVSA-N 449.899 0.610 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1822841954 YNWKGYBJGWJQEU-VXGBXAGGSA-N 448.998 0.803 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCOC2=O)CC1 1824335034 CQBPVFGKFBIJJQ-QGZVFWFLSA-N 437.541 0.431 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(=O)n2O)CC1 1825494943 QHFTVATVWYZRFO-QGZVFWFLSA-N 447.536 0.692 50 20 ICGD Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cnn1C 1826104924 PPTDYJAUVHRDSD-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1826999721 AHFHVXLNVYTCCI-QGZVFWFLSA-N 441.492 0.661 50 20 ICGD CC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1827679551 IIDQRYLVVPQLIC-QVWJKXSPSA-N 444.536 0.876 50 20 ICGD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1828243972 XMIVVXGDIPCCQB-CBAPKCEASA-N 448.979 0.515 50 20 ICGD CCc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830725161 LUVQKXWPXPYAMZ-SCLBCKFNSA-N 449.335 0.306 50 20 ICGD COc1cc(OC)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830732592 UBLVGTLPQMCHKQ-FXAWDEMLSA-N 442.896 0.374 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(CO)on2)CC1 1831874131 JMWLBERUARXFFX-GOSISDBHSA-N 435.525 0.773 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832838516 QFXHHEBFUZBONM-JXFKEZNVSA-N 443.903 0.864 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835722101 JCZVZZKGKIANLM-FIKGOQFSSA-N 437.924 0.906 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836614214 DKECQYNKRFESKJ-OAQYLSRUSA-N 448.300 0.109 50 20 ICGD O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)ccc2N1 1836787505 PPJIWBRVCATFPP-QFBILLFUSA-N 425.844 0.786 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837334543 SALNQIKKRDOYCO-MDYRTPRTSA-N 425.913 0.543 50 20 ICGD COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710072 GZIXKMUBCMGTTA-SFHVURJKSA-N 448.614 0.201 50 20 ICGD CCC1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)COC1 1837920225 RUQPAYSWOAEDNO-UHFFFAOYSA-N 444.337 0.405 50 20 ICGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](Cl)COC)C3)C2)nn1C 1838279471 CJFTXWCXPXSBMO-DNVCBOLYSA-N 428.917 0.306 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 1838541249 DDBMTCMMKJRSSX-UHFFFAOYSA-N 447.536 0.772 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838912632 MDRZKVJWPQOPOI-OAQYLSRUSA-N 436.484 0.269 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839147220 KHKXNVZLOZTYTG-QKLQHJQFSA-N 430.977 0.096 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155445 UDEXXYAFNYMGRR-RCBQFDQVSA-N 431.744 0.933 50 20 ICGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839273141 CECQYGZQKGNGSV-RHSMWYFYSA-N 431.804 0.905 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839648423 KWNIKJZTGSCKBL-WZSOIAESSA-N 432.315 0.266 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839963913 AEZXTZQHQBBLPB-PBHICJAKSA-N 429.315 0.582 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035629 YEXNQUDEFYVJEL-GUYCJALGSA-N 429.315 0.431 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840151580 GUULORDCTVCAIT-VQIMIIECSA-N 428.917 0.063 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840152492 JTWJWIVOACFGGW-MGPUTAFESA-N 436.896 0.658 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1840199612 GDPACDUWJQRSJG-JQFCIGGWSA-N 443.393 0.793 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938627 DVRVVUXBZYOVME-SFHVURJKSA-N 432.359 0.714 50 20 ICGD O=C(c1cnc(C(F)(F)F)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013771 LGRPJCFBSZWSRL-UHFFFAOYSA-N 434.183 0.306 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1845733680 RWLZTGDVHNKCRP-YDZHTSKRSA-N 434.460 0.909 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846576822 YKBARYJEPCCHLW-HNNXBMFYSA-N 425.319 0.759 50 20 ICGD O=C([C@@H](F)Br)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848217382 KNJZJHBISZARFD-ZBPZKIAKSA-N 443.273 0.885 50 20 ICGD COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C 9605963 JMSIWVICFSHCQF-OQLLNIDSSA-N 443.460 0.064 50 20 ICGD COc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(OC)c1OCC(N)=O 15706408 VKPOMEMUOQWUKK-UHFFFAOYSA-N 428.401 0.280 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)c1 725878686 NRAOTVQLJXBNHP-HNNXBMFYSA-N 425.555 0.114 50 20 ICGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 727604394 YIKCQJWFNUTAFQ-UHFFFAOYSA-N 438.488 0.759 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)CCc2ccco2)c1 730024763 DRTMDBZZTHNDFB-LBPRGKRZSA-N 437.478 0.478 50 20 ICGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)COc1ccc(Br)cc1 730129670 ASUSSJIFMKZJJF-ZDUSSCGKSA-N 428.331 0.794 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 730778702 KTHJANPNOPTAKC-UHFFFAOYSA-N 448.229 0.977 50 20 ICGD N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)C2=O)cc1 733776942 WJLMOKQGSCUWSR-WMZOPIPTSA-N 433.424 0.914 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1N1CCNC1=O 742033883 GVFVLSUIEDPMKV-UHFFFAOYSA-N 436.428 0.547 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n[nH]2)cc1 743310172 YVMLAKSFBWYWON-RWQQGDIJSA-N 437.456 0.699 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(Br)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744371559 BBSWPZIODQQZHS-LXOGICJWSA-N 436.262 0.761 50 20 ICGD O=C(Cn1cc(Br)cn1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620618 LOEWWEIRLOEQFH-UHFFFAOYSA-N 444.311 0.810 50 20 ICGD O=C(O)CCC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 751203645 VAONEUBGPLVNQC-KRWDZBQOSA-N 434.426 0.884 50 20 ICGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1 753784118 DWIYIHPQLLLIKE-QGZVFWFLSA-N 426.539 0.128 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)c1 754845520 LLZQRTJZZJBSAS-OAHLLOKOSA-N 434.474 0.574 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)co1 755407603 OOJAYRKHDLQSCO-UHFFFAOYSA-N 433.446 0.553 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755533228 IHBHMIDDYXSCGO-AAEUAGOBSA-N 432.524 0.351 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 755543571 CGARRNQDPRDLRT-UHFFFAOYSA-N 428.401 0.827 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(F)c1F 755957225 LVQBZJUHHSHXHI-AWEZNQCLSA-N 428.369 0.901 50 20 ICGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 756868504 VLCADYUJAQQWEY-CHWSQXEVSA-N 440.464 0.170 50 20 ICGD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 763205650 CCMFYGZYBZVETI-UHFFFAOYSA-N 442.313 0.724 50 20 ICGD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206149 ONNBJEXYKBMOJL-UHFFFAOYSA-N 446.276 0.722 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccncc2)cccc1S(=O)(=O)NC(C)(C)C 763467655 VJXUKYDONTXJNM-UHFFFAOYSA-N 433.490 0.867 50 20 ICGD O=C(NNC(=O)c1cccnc1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 763488174 ITUNQVXMDZSLOJ-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 763506824 JOHXDLVJAODGBN-AWEZNQCLSA-N 448.524 1.000 50 20 ICGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 763563093 XXULAZKTLWAINE-UHFFFAOYSA-N 436.516 0.942 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570670 HMQCHASQXGQWRV-QGZVFWFLSA-N 441.444 0.113 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 763663456 UVSVFYFACGUCFA-UHFFFAOYSA-N 426.429 0.987 50 20 ICGD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 763785578 ISOXWGJTPUOYLW-UHFFFAOYSA-N 439.476 0.655 50 20 ICGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 763830785 AGFGJNWDPUKCQY-CHWSQXEVSA-N 426.495 0.226 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1)S(C)(=O)=O 763840580 VAYDCTHUEVBOKX-UHFFFAOYSA-N 438.437 0.386 50 20 ICGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 763921957 YTTOXFFEMXZDOK-UHFFFAOYSA-N 442.447 0.556 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1S(=O)(=O)N(C)C 764153628 MUFGBHUFHFFELV-MRXNPFEDSA-N 446.485 0.335 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccccc2O)c2ccccc2O1 764278735 VJVIGNCIWVPGCC-KRWDZBQOSA-N 427.413 0.439 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 764395065 ZFALOFQSYRWLEV-UHFFFAOYSA-N 442.457 0.549 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(C)cc1 764661610 DSTFSCWDLPOGEU-CQSZACIVSA-N 447.517 0.654 50 20 ICGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)CSc1ccccc1O 765248992 YRFIYUFNOJYHEU-UHFFFAOYSA-N 426.454 0.903 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCC[C@@H]2CCSS2)n(C)c1=O 765722056 SQQMWYZNZYMYSK-LLVKDONJSA-N 440.551 0.295 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(F)cc2nccnc12 765737351 YEPFIDAGKHAZFS-UHFFFAOYSA-N 436.447 0.988 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 770391966 OXNFIUCBACSMFL-UHFFFAOYSA-N 433.442 0.400 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775708722 PTYKGRBYXXKTTO-AWEZNQCLSA-N 427.417 0.677 50 20 ICGD COc1ccccc1[C@@](N)(C(=O)NNC(=O)CNC(=O)c1cccnc1)C(F)(F)F 776176921 PFQZMKKWOQQOHT-QGZVFWFLSA-N 425.367 0.384 50 20 ICGD O=C(O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 776654060 MJBZHOJWFDKBIL-UHFFFAOYSA-N 427.298 0.373 50 20 ICGD CN(C)C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 777777108 FBBKBOJREZAGFG-UHFFFAOYSA-N 425.349 0.206 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 778445355 JJUFAYOLYNYFGN-UHFFFAOYSA-N 439.494 0.253 50 20 ICGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783427954 RMZXHZBXGUGLNF-LJQANCHMSA-N 449.489 0.104 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Cl 784001847 FFCYJHAZXCZXSU-UHFFFAOYSA-N 436.808 0.626 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNc3ccccn3)cc2)C[C@H](C)O1 784792962 NMEHOHHUFSDAEC-KBPBESRZSA-N 433.490 0.961 50 20 ICGD CC(C)(C)OC(=O)NCc1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 786824367 VJIQIUYMLRITER-AWEZNQCLSA-N 426.495 0.842 50 20 ICGD COc1cc(CNC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)ccc1OCC(N)=O 788879766 YOIKYLNBQDFRRH-JXFKEZNVSA-N 442.472 0.962 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2OC(C)(C)C3)n(C)c1=O 789398515 OLGTZOYUSVVXAA-UHFFFAOYSA-N 441.448 0.000 50 20 ICGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1 792040058 NNVUBCUZRBSFGW-UHFFFAOYSA-N 440.485 0.727 50 20 ICGD O=C(NNc1nc2ccccn2n1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 792392970 CIUIBGNRMMTGNJ-UHFFFAOYSA-N 443.489 0.986 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNc2nccnc2OC)c1 799834404 DGLPJMQERBOCEK-UHFFFAOYSA-N 436.494 0.954 50 20 ICGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)CSc1ccccc1O)C(F)(F)F 805769188 LZZUPNKQPHQQPB-LLVKDONJSA-N 444.457 0.637 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1OC 806975588 GJIGWOLAAQNGPS-UHFFFAOYSA-N 426.433 0.539 50 20 ICGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1F 810397819 BXAHOQBHKIRROF-UHFFFAOYSA-N 431.355 0.728 50 20 ICGD NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)Cn1nnc(-c3ccccc3)n1)CCC2 811630724 DAIDWYDPWMBHGC-UHFFFAOYSA-N 425.474 0.844 50 20 ICGD COC(=O)c1ccsc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815752398 QGBQBSSEQAHEFY-UHFFFAOYSA-N 426.476 0.867 50 20 ICGD CCOc1ccc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 815815094 LDKXQVLZRQDDBS-HUUCEWRRSA-N 444.492 0.999 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 825457218 OQOOPXBZUKSQRQ-UHFFFAOYSA-N 437.456 0.326 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cccc(N2C(=O)CCC2=O)c1 912852124 OADNGPGXXJCGTJ-UHFFFAOYSA-N 429.458 0.708 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914831732 RAMVYFNQODQKCH-UONOGXRCSA-N 425.532 0.270 50 20 ICGD Cn1c(S)nc2cc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccc2c1=O 915077137 FCCJGHLCKKCRBE-UHFFFAOYSA-N 432.483 0.701 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 916649977 YREYVPASGLKCNK-CQSZACIVSA-N 436.494 0.769 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 918587551 CSFLVMIXAGMZLP-UHFFFAOYSA-N 430.442 0.497 50 20 ICGD CC(=O)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 920057655 OICVRXFWPYQQRJ-QGZVFWFLSA-N 442.384 0.713 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 921172691 FNOFIOAMWCIMCR-UHFFFAOYSA-N 444.469 0.805 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCc1cscn1 1337771288 WPMDIUDYPBHYDI-LBPRGKRZSA-N 440.503 0.862 50 20 ICGD Cc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1778171736 XKXSKPAFDGLCEU-NFBKMPQASA-N 437.305 0.511 50 20 ICGD COC(=O)C12CCC(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(CC1)CC2 1778298269 CYKQMVDRMKKNHD-SDDUFFJTSA-N 442.940 0.930 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ncccc1F 1779892096 KLNIZJYIDBXPBK-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1781214526 ZFLIECVCVVBNJI-QAPCUYQASA-N 429.926 0.946 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1782170448 LXDBSCMCTAHHMK-JXXFODFXSA-N 425.913 0.616 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cscn1)C2 1782212033 PGAUHTJSQUCESC-OXQOHEQNSA-N 437.566 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1783933709 VXLPUXXCCAELBU-FQEVSTJZSA-N 435.550 0.377 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1783937641 WZXQXSPJVLMNSI-JOCHJYFZSA-N 442.520 0.239 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643711 SXGMQBGZEWMSGZ-RMIALFOJSA-N 441.282 0.552 50 20 ICGD C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1785837542 PMFNQRDUIXWINW-SEYXRHQNSA-N 447.300 0.973 50 20 ICGD O=C(O)CSCC(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788149401 NWFYPISAFGUBCL-UHFFFAOYSA-N 442.302 0.932 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788562614 PWVIWOWLHSOJKH-AICCOOGYSA-N 447.374 0.705 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccn(C(F)F)c1=O 1788798724 STJPFVZAHJGUGT-PYJNHQTQSA-N 433.839 0.436 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cc1)C2)[C@H](O)CCl 1792978162 HTMVHYVMAZDQIM-UKBAYJJMSA-N 437.924 0.326 50 20 ICGD COc1cncc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1 1794326923 ZBPDTDSYLKTZDD-ACDBMABISA-N 437.305 0.655 50 20 ICGD COc1ccc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736283 VUXKKWHWEVVXCS-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nnsc1C1CC1 1796190990 MCZYDDOBMDZOMW-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CC[C@H]2CCC(=O)N2C1 1796191756 VAWLOEHLOHQTST-LFZDHENXSA-N 439.321 0.019 50 20 ICGD CC(=O)Nc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)ccn1 1797247513 NVQQPLOLOMQYKD-BJWYYQGGSA-N 430.509 0.665 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798160431 KMYLGPMLTUTHOA-KRXQYRFLSA-N 433.896 0.929 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439548 IGZPDXHWKCVRKL-BTTYYORXSA-N 431.493 0.669 50 20 ICGD Cc1ccn2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)cnc2c1 1801132266 KHZMFEBZHKBUKI-REPLKXPHSA-N 432.289 0.888 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccc(F)cn2n1 1801191783 OBGLOFVWHWYQLZ-QDMKHBRRSA-N 431.472 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1804896871 CSODVEWDNSGPIW-YWZLYKJASA-N 443.508 0.213 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(CO)o2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376273 UXBFMYRYYSLXBC-UWJYYQICSA-N 449.272 0.480 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]1c1cccnc1)C(=O)O 1808661563 MREYEENRLNDHEJ-UXOAXIEHSA-N 445.289 0.841 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cccnn1 1810722385 BBSVLNGIFHKVBY-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n[nH]1 1811469653 HFCSLWATYZPXIZ-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H]1[C@H]2SC=C[C@H]21 1812382861 GOSYDDPISMJCPS-URZNZNTCSA-N 449.341 0.956 50 20 ICGD O=C(Cc1cncnc1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337960 YBTBBCPECNMRCR-HNNXBMFYSA-N 437.290 0.081 50 20 ICGD N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)c1 1815343920 XMVGZRQZLMDAEZ-AWEZNQCLSA-N 435.274 0.562 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1O)CC2)c1ccc(B(O)O)cc1 1815344291 RNFAVGZHLPZOCM-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CO)o1)CC2)c1ccc(B(O)O)cc1 1815344337 UMKBRAPQJCCMJK-ZDUSSCGKSA-N 441.274 0.448 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1816781119 DTUWNDWHJMGAGS-GHMZBOCLSA-N 441.286 0.785 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@H](F)Cl 1818036737 ZXSPSPNNZPSWOR-WFASDCNBSA-N 435.909 0.667 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1830542690 BWHNPHWRMQHMDA-GPMSIDNRSA-N 446.386 0.816 50 20 ICGD CCC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccc1 1830728432 TVBGLJPPZSGZRJ-HLIPFELVSA-N 427.929 0.885 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccnn2)CC1 1831877508 ZNXUDDBOZQQTNE-SFHVURJKSA-N 446.552 0.848 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833470262 YWCMMOPHOIMCRE-LIRRHRJNSA-N 427.885 0.563 50 20 ICGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cccc1=O 1833873450 NJDYHIKFFPWGED-FQEVSTJZSA-N 437.569 0.307 50 20 ICGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)cn1 1834528589 SZZQSHSHLAUBDE-LJQANCHMSA-N 438.557 0.407 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)O1 1834798631 SITVRAAVZZLRHK-IIBYNOLFSA-N 443.353 0.119 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)N1 1836412314 DHGDQEWGPRTXJM-UKRRQHHQSA-N 433.322 0.527 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836886352 AIWJMXLOBSAHAW-IERDGZPVSA-N 446.353 0.386 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837238529 LATHRKCNKCPXQB-IVCQMTBJSA-N 439.372 0.387 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837399598 XKDVEPNTIZHVOT-OXQOHEQNSA-N 428.602 0.867 50 20 ICGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)nn1 1838352188 DUPIPEAVCFIOKN-CJNGLKHVSA-N 447.261 0.246 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648469 NLVKZHNJEBANGO-GBBNAMRBSA-N 446.342 0.656 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1840152272 CYDSCZZBYDOHRB-GLJUWKHASA-N 446.957 0.654 50 20 ICGD CC(C)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccn1 1840327580 PTOVDNUJSNVKNN-MGPUTAFESA-N 425.913 0.415 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 1841557124 VPBURCMALUJGHQ-HXUWFJFHSA-N 433.273 0.377 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842881254 GVXHOMRSLSQQFI-AAKUMTKESA-N 431.443 0.668 50 20 ICGD Cc1onc(-c2ccncn2)c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014177 IBSBDIZHTGZPCU-UHFFFAOYSA-N 447.260 0.251 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccc1C 1843014582 BGPPDBOQTVWFPG-UHFFFAOYSA-N 435.289 0.764 50 20 ICGD Cc1cc2nc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)[nH]c2cc1C 1844216457 TVZXBVOGIHHTQF-UHFFFAOYSA-N 432.289 0.990 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCOC1)C2)NC(=O)NCc1ccccc1 1845039934 WXYRQHQLPHQYOK-IBGZPJMESA-N 443.548 0.963 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)N(C)C(=O)OC(C)(C)C 1845064470 WMRIRBAZCLYNHH-OAHLLOKOSA-N 439.557 0.818 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845620462 NAMDKIMRNJCWKP-UHFFFAOYSA-N 436.252 0.592 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)n(-c2cccc(=O)n2C)n1 1847559761 KPZLTIFKPMRZKX-DZKIICNBSA-N 433.896 0.295 50 20 ICGD O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)C(=O)N1CCCC1 726273190 YTVTUHIVJYSVIB-UHFFFAOYSA-N 437.522 0.314 50 20 ICGD O=C(CCC1CCCC1)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728341934 KVTFXEJTXZKWCS-QGZVFWFLSA-N 433.461 0.604 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c1 728525158 BEJQXMALVJUDDL-UHFFFAOYSA-N 425.243 0.212 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1Cl 728985237 CVXMBGJFAFTXFZ-UHFFFAOYSA-N 438.897 0.455 50 20 ICGD Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 729663209 XOHNZQHYAWUCQJ-UHFFFAOYSA-N 432.505 0.671 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCCNC(=O)OC(C)(C)C)c1 732548670 JMYKBDTUZPFVGX-UHFFFAOYSA-N 444.510 0.239 50 20 ICGD CCCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 732891911 LRLYGPREKUVOTI-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNc2nccc(C(F)(F)F)n2)c1 739045915 QJBHGWMKJJUUFC-UHFFFAOYSA-N 446.411 0.955 50 20 ICGD Cc1nc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1-c1n[nH]c(C(F)(F)F)n1 747199413 NKRXKSXXPDAMJT-JTQLQIEISA-N 438.326 0.314 50 20 ICGD Cc1c(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] 748472725 XEOOLCDFYVORIZ-QGZVFWFLSA-N 429.385 0.976 50 20 ICGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1(C)C 753558278 QQDHTCFKHXQRLT-JKSUJKDBSA-N 440.522 0.465 50 20 ICGD CCn1cc([N+](=O)[O-])c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 756876991 WNKMPYRYUVVHJE-UHFFFAOYSA-N 437.482 0.504 50 20 ICGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc12 757670395 AKOIKNOUPUVTOY-LLVKDONJSA-N 438.462 0.482 50 20 ICGD COc1cc(NC(=O)NNC(=O)COc2ccccc2O)ccc1S(=O)(=O)N(C)C 757906809 GXRYFOZCAQTAFA-UHFFFAOYSA-N 438.462 0.883 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccn(-c2cccc(Br)c2)n1 758048948 WVHUZXWJBFAHJA-VIFPVBQESA-N 430.284 0.334 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2O)ccc1Cl 763529516 XGNSMMLUVWXFTG-UHFFFAOYSA-N 440.865 0.696 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763572891 VMAVWESDBBVTPH-INIZCTEOSA-N 433.442 0.324 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)CCN1 763695347 RWGDZKOSAMOGOB-UHFFFAOYSA-N 445.863 0.441 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1C 763803414 HWFWESHVAVIEFE-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)cc1 763829690 FGBSSXOVKADILZ-UHFFFAOYSA-N 440.456 0.942 50 20 ICGD CCCN1Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2C1 763921234 JVLPYYXCSCMYMM-UHFFFAOYSA-N 434.460 0.788 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccc(F)cc1)CC2 763931122 CTOVFDVYGIURHT-UHFFFAOYSA-N 434.449 0.013 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccccc1C 763960339 MSBMBBWFWHWUCV-UHFFFAOYSA-N 446.485 0.844 50 20 ICGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c1)C(=O)C(F)(F)F 763993301 NPPVTRBRFZXWMO-UHFFFAOYSA-N 425.367 0.946 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 764006968 WJTAEGRYCWPGPH-UHFFFAOYSA-N 425.401 0.601 50 20 ICGD CC[C@H](C)Sc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 764230783 LBEVRWYIYNINCC-RYUDHWBXSA-N 430.552 0.909 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764405260 RAXQBHAHWAODBN-UHFFFAOYSA-N 446.485 0.785 50 20 ICGD CNc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc(Cl)n1 766635864 HHYJJMPISIOWAU-UHFFFAOYSA-N 430.896 0.996 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767853712 WIZSVYFKUDEHTE-CYBMUJFWSA-N 431.474 0.493 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1c(C)noc1C 768383420 VOZWRLKCRMBTKP-UHFFFAOYSA-N 426.451 0.195 50 20 ICGD N#Cc1ncn(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 769037246 GBLQIUUWYCALER-UHFFFAOYSA-N 428.412 0.369 50 20 ICGD O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771605140 PQXRZERHBIBMDW-UHFFFAOYSA-N 425.850 0.593 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 772041069 GNVBAYPLYLFYTE-LSDHHAIUSA-N 425.507 0.885 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)[C@@H]1CC(C)C[C@H]1C(=O)NNC(=O)c1ncccc1C 775888221 WHKSNDFRGSZQRN-HZPDHXFCSA-N 438.488 0.978 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(C(F)(F)F)c1 784002412 OQOUOCDQPKIXOY-UHFFFAOYSA-N 428.323 0.823 50 20 ICGD CCOC(CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)OCC 786913265 WVJHDRXQHNKGOF-UHFFFAOYSA-N 444.558 0.433 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)c1 787541197 NNQFWYFWTFXQMY-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NC(=O)OC(C)(C)C 792258549 NOALXUDDINCVIA-NSHDSACASA-N 428.515 0.837 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 793213003 OQGUXEMOJNKGOB-QFIPXVFZSA-N 437.456 0.857 50 20 ICGD O=C(NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1cc(F)cc(F)c1 802001038 DWQJZHAFGYLWRL-GFCCVEGCSA-N 429.405 0.283 50 20 ICGD COCCOc1c(Cl)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1Cl 808070893 DMOOEFBCYIYIAX-UHFFFAOYSA-N 428.294 0.853 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNc3ccc(Br)cn3)c2)CCN1 812985192 LGJIQVQSWDAWRC-UHFFFAOYSA-N 447.293 0.858 50 20 ICGD CO[C@](C)(CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 813203587 PYHDGZQAIFMCKA-LJQANCHMSA-N 440.522 0.467 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CSc2nnnn2C2CC2)c2ccccc2c1=O 848943935 CDHUWADYENBTEV-UHFFFAOYSA-N 428.478 0.852 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)Cn3ccc(=O)n(C)c3=O)cc12 915061506 JXKGWRLAHRDTMW-UHFFFAOYSA-N 438.469 0.717 50 20 ICGD O=C(COC(=O)CCCS(=O)(=O)N1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919555946 ZJRXYVOVVRPNKN-UHFFFAOYSA-N 442.450 0.105 50 20 ICGD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886887 XEMHWSVDXMYIEM-HUUCEWRRSA-N 442.563 0.364 50 20 ICGD CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920212366 GZOXAQWPAJFNMG-AWEZNQCLSA-N 426.495 0.113 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3F)CCO2)C1 1779032878 ZQEXWGHKPXXYPU-NRFANRHFSA-N 427.436 0.582 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)cc1 1780434946 WCDUBOJJOOPNBS-NFBKMPQASA-N 438.289 0.513 50 20 ICGD O=C1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)CN1 1780770208 IISWIXRYXAFLHM-ALYFQZSWSA-N 434.306 0.717 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)CCC1=O 1780770900 IQLASKMJNJITGY-SUYBPPKGSA-N 447.305 0.799 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1781901154 ZADUTPPCRIZWTG-XJKCOSOUSA-N 429.319 0.361 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781997537 ARYXVZWRXYHHLG-KDQZPGIASA-N 448.358 0.435 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(C)CC2(F)F)C1 1783146081 WWOZFNPQRUPLNM-NIKGAXFTSA-N 430.496 0.919 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CS[C@@H]1CCCCO1)CCO2 1783936443 VRMZLEAAFUHRRW-UXHICEINSA-N 442.582 0.449 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1783936645 YJYINLZFKSAEMF-NRFANRHFSA-N 446.483 0.519 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784975248 UFYWABNJHFHCBP-ABHRYQDASA-N 443.342 0.605 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cnc1C 1785511283 FETOVKSDXDSHSX-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787939120 LLGPYVPKROEVGB-RSLFNQERSA-N 441.319 0.954 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788960749 IFHSGDDSUMFHLZ-UKJIMTQDSA-N 438.834 0.632 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1792784198 DOERIUHLULKMBT-MIFYACCESA-N 443.953 0.953 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794092033 FPCCCRYTDKGMEO-YIYPIFLZSA-N 436.372 0.138 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cc12 1795739219 RDIBJAPMVJHVBA-FAQVEIGNSA-N 447.300 0.673 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)c2n1 1797436834 QAWNQIZDRCAWLG-BJWYYQGGSA-N 441.536 0.971 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2sccc2[nH]1 1797533504 IGIXFCDFHWZJME-HBCWATKFSA-N 439.302 0.426 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1799275148 LQIQNOSXGAUZSC-SPCJURDBSA-N 429.348 0.777 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1CCCCO1 1802584499 LLZJFUYKJIMWDV-SESVDKBCSA-N 437.305 0.650 50 20 ICGD Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1804498382 YOQYRUAAQRKBNE-IIBYNOLFSA-N 443.508 0.395 50 20 ICGD O=C(CN1CCCCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976787 PFYSRLNFPSYTHD-UHFFFAOYSA-N 427.354 0.697 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1 1810297902 GBGVDQXKXJRCBQ-CRAIPNDOSA-N 446.471 0.504 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCO1)CC2)c1ccc(B(O)O)cc1 1815335540 DRPCNLPCHIAPRL-GOEBONIOSA-N 429.307 0.618 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401986 ZNNJFUCKENUYCM-WBVHZDCISA-N 429.481 0.731 50 20 ICGD Cn1ccc(=O)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820167281 CZXAZSZBQQYEMQ-GOSISDBHSA-N 449.276 0.408 50 20 ICGD Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)nn1C 1825894528 GJWVGPMGGXUHDF-OAQYLSRUSA-N 438.337 0.955 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1828486650 DDOYEMYYUBCMCG-RTBURBONSA-N 442.988 0.370 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1828923617 PGSFOYQJXSRZJQ-IAGOWNOFSA-N 437.928 0.518 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907258 DIULPGUOWAEFFT-NQIIRXRSSA-N 435.908 0.811 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725561 PURZCYSFXHPHAB-KSSFIOAISA-N 449.838 0.353 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1830738929 VMSAGFVQUAGGPM-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831818391 HBRKFYLYCXEMQY-HNAYVOBHSA-N 428.917 0.361 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313731 PEPJXIMLJYDLRG-MRXNPFEDSA-N 431.961 0.747 50 20 ICGD O=C(c1cnc(OCF)cn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833573315 BCHXWSVMBNDYKT-INIZCTEOSA-N 437.255 0.656 50 20 ICGD CC(C)(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834781954 UABRLABWZQUDGJ-NRFANRHFSA-N 433.509 0.191 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315855 PKIZJEBBYXVSSU-MLGOLLRUSA-N 444.834 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C3CCOCC3)CC2)CC1 1837755287 HYBCGOZTOOVYFT-UHFFFAOYSA-N 438.569 0.785 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839067998 OHMSJTVJBIQALZ-BXWFABGCSA-N 446.386 0.958 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198981 PKWWKDFQGNUSEC-WQGACYEGSA-N 425.295 0.540 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839966509 HKBNYFMPNBBXNU-DEYYWGMASA-N 446.342 0.143 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840036763 QYTKUFZJEMYOJV-FZKQIMNGSA-N 442.310 0.570 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840151136 VXQOITRZVLBOSQ-IFXJQAMLSA-N 434.917 0.428 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840152173 AGNIYXHNZBFFDO-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381493 MCMZHYVJUMWEPC-XHDPSFHLSA-N 448.343 0.137 50 20 ICGD C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841690579 OSDVMSJFIGLSCC-SOUVJXGZSA-N 445.944 0.814 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297585 VPKLVOIQIFBIGE-NXZBIGBUSA-N 446.454 0.726 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CCOC1 1845206821 LTWPOGCDEKPPQD-BFUOFWGJSA-N 431.917 0.473 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 1847210332 RCHRGFUXFVDOAT-ROUUACIJSA-N 438.444 0.651 50 20 ICGD COCCn1nc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1=O 24350342 ZTKQSVDUNSWWHY-UHFFFAOYSA-N 443.489 0.385 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 585656858 JXAYZDLZUQVDFV-UHFFFAOYSA-N 433.266 0.737 50 20 ICGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=S)NC(C)(C)C)c1 726139851 KOKHCONAPXKVJV-UHFFFAOYSA-N 443.595 0.681 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1OC 726277761 QRTUTCFJSYHXHV-MRXNPFEDSA-N 435.525 0.981 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1csc(N2CCOCC2)n1 731597129 XQDGHMMUJTZZIJ-UHFFFAOYSA-N 444.448 0.740 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 732304458 WWPGTRWLLQFANI-UHFFFAOYSA-N 428.470 0.605 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 740853013 JJTOHKNQWVCTDA-UHFFFAOYSA-N 426.495 0.202 50 20 ICGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 741647930 SXKIADKGDOQUAH-UHFFFAOYSA-N 435.915 0.444 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(NS(C)(=O)=O)c1OC 742472409 MKTCYICREXLBFO-UHFFFAOYSA-N 437.430 0.879 50 20 ICGD C[C@H](CC(=O)NNC(=O)CCc1ccccc1O)/N=C1/NS(=O)(=O)c2ccccc21 743337896 DBXHNDGYBSNUOT-CYBMUJFWSA-N 430.486 0.990 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc(OC)c1OC 743505486 CRNMKFUWLKVMKX-CYBMUJFWSA-N 446.464 0.586 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619486 QTVRYMQZQNYVIL-UHFFFAOYSA-N 446.489 0.038 50 20 ICGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 745861647 DFDXHWUOSNPXIC-HNNXBMFYSA-N 440.570 0.699 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 747705282 MKDASGHPTQFSDS-UHFFFAOYSA-N 428.449 0.116 50 20 ICGD COCCn1cc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1 747778056 XWGJVEAHLXPCAG-UHFFFAOYSA-N 434.478 0.444 50 20 ICGD N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 750047023 LHAZLLNTVANFEI-DABLEGOQSA-N 433.490 0.380 50 20 ICGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1-c1ccccn1 754884366 JGELFTWFGGIBAS-UHFFFAOYSA-N 447.455 0.265 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1[nH]cnc1C)c(=O)n2Cc1ccccc1 755553259 BLBFPWGJJWBRFU-UHFFFAOYSA-N 434.460 0.610 50 20 ICGD Cc1nc(-c2cccnc2)nc(NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1C 755811175 IMZZFVWDDLUIHV-ZDUSSCGKSA-N 430.494 0.699 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)c(I)c1 758032122 ZQYKUTVVGBUSCI-ZCFIWIBFSA-N 429.211 0.129 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 758039493 LJJMICMNPMIUFB-LBPRGKRZSA-N 444.469 0.182 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNc2nc3ccccn3n2)cc1C 760531397 PCCKKNVJNSRDCG-HNNXBMFYSA-N 445.505 0.402 50 20 ICGD C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570388 DYIMDZJYBYFRGT-IFXJQAMLSA-N 440.456 0.838 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763571473 JKBQEQWTQOKGJU-QGZVFWFLSA-N 443.412 0.554 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)ccc1F 763681192 MWXCPWFWPDPCBZ-UHFFFAOYSA-N 431.359 0.414 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763745687 IINYLGMSKDQVNY-UHFFFAOYSA-N 430.486 0.629 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc(Br)c1=O 763840691 WLTMTCPFWJUHFU-UHFFFAOYSA-N 441.213 0.452 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 763872166 KNTJKGJMKAUMRI-ZDUSSCGKSA-N 446.435 0.894 50 20 ICGD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916248 FHUAHAVELZTEDU-UHFFFAOYSA-N 448.443 0.719 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1OC 764033198 HSJMEOHPRJQGBY-UHFFFAOYSA-N 440.503 0.847 50 20 ICGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 764106761 RFMNRYOYBZLGRC-UHFFFAOYSA-N 440.254 0.906 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 764136442 QMUHSGQKCWUPRA-UHFFFAOYSA-N 438.440 0.673 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1 764199087 MZDNTAXXWFFDLG-GFCCVEGCSA-N 428.511 0.522 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 764226079 FJZWLHOTTRRWSQ-SNVBAGLBSA-N 440.428 0.655 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cccnc2)c1 764263624 JPJBZOHUSRJKQC-CYBMUJFWSA-N 433.490 0.487 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764365876 GOYRKDJORKKEJW-UHFFFAOYSA-N 439.428 0.041 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764394966 XPPIARUIJHGWDY-UHFFFAOYSA-N 446.485 0.737 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Cn1cc(Br)c(O)nc1=O 768634172 GLOLBESDVDVZKU-UHFFFAOYSA-N 447.267 0.267 50 20 ICGD CNC(=O)COc1ccc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1OC 768637061 BQEQSMMFDFMJHA-UHFFFAOYSA-N 437.474 0.989 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772955243 SFDRMDJWPFBDAE-SYCBCXHKSA-N 435.864 0.806 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 778443576 UVPJLRFFMWUQOR-CYBMUJFWSA-N 434.449 0.483 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)[C@H](C)O)cc1 779544224 IYRCPUZZYKVJDU-GUYCJALGSA-N 441.531 0.570 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccnc2-n2cccn2)nc1 783262002 AFDPFYAAOMTDCK-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 785059903 DCTHQVGDIAWGRY-UHFFFAOYSA-N 444.473 0.425 50 20 ICGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccn(CCN(C)C)n3)n[nH]2)c1 785126164 KKIFTJPPJBSJQV-UHFFFAOYSA-N 438.492 0.851 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2nc3ccccn3n2)o1 791261054 ZJZIWLHXOKJCQU-GFCCVEGCSA-N 448.461 0.795 50 20 ICGD Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 802100902 BXIJUYHJKAWEKR-UHFFFAOYSA-N 426.389 0.136 50 20 ICGD Cc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(-c2ccnn2C)c1 802708670 HNWXHYUJRLKVHO-UHFFFAOYSA-N 427.490 0.430 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 804954815 JOSGZWKEBYHCBT-INIZCTEOSA-N 447.459 0.655 50 20 ICGD Cn1ncc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 807567653 XDBNHAWFOZHFMR-UHFFFAOYSA-N 443.489 0.438 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNc1nc2ccccn2n1 811440327 XOSOSKXZVDWUGQ-UHFFFAOYSA-N 425.268 0.913 50 20 ICGD CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877661 UPGMSAKSPMROLY-RDJZCZTQSA-N 438.488 0.889 50 20 ICGD COC(=O)c1ccc(Br)c(NNC(=O)c2cn(CC(=O)N(C)C)nn2)c1 816717104 NXBIGNMIMRFALF-UHFFFAOYSA-N 425.243 0.672 50 20 ICGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)N1CCN(C)CC1 819720703 FIIIOBITMAWDOG-OAHLLOKOSA-N 436.538 0.128 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 823752565 NERTVWAMMVMOCY-DSIZOQBWSA-N 449.467 0.546 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 916278585 VYQHUPBBNBCMET-UHFFFAOYSA-N 444.517 0.733 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 916830392 UWYXULKWFVBXOR-UHFFFAOYSA-N 425.357 0.285 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNc2ccc(-n3cccn3)nn2)CC1 918134303 JGPPFZUQQAIBOU-UHFFFAOYSA-N 445.484 0.368 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CC(F)(F)F)cc2)CC1 918365723 KBGGDROFLJRVAB-UHFFFAOYSA-N 436.412 0.253 50 20 ICGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921122916 ZIARFOZOYDEBSD-HNNXBMFYSA-N 441.554 0.382 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2n[nH]cc2I)cc1 1256690158 BSHKOECTOWEKFR-UHFFFAOYSA-N 449.230 0.884 50 20 ICGD COCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091578 VTZDBVKOAVHJMK-YMYKSDKLSA-N 433.509 0.671 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1779028397 KVIDXFYKXNKXEP-OAQYLSRUSA-N 425.445 0.148 50 20 ICGD CCOc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)nn1 1780238657 LYZQOXGVTXMITO-SPYBWZPUSA-N 426.901 0.603 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335485 ZSBGRHFRUWSHIR-CABZTGNLSA-N 434.184 0.185 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)s1 1785455554 OTUFWBIEOZNXCN-BPUTZDHNSA-N 432.282 0.474 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1785697276 OBVZWXNFJQOQAF-WOJBJXKFSA-N 428.480 0.935 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786982702 DVRQLJFLVUWXQW-QRTARXTBSA-N 432.282 0.474 50 20 ICGD Cn1c(=O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)nc2ccccc21 1787973654 KZFCSGSZRACZMO-CLROSIBMSA-N 448.907 0.127 50 20 ICGD O=C(/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)NCc1ccco1 1788717874 BNZSWPCXCLFOGA-KOJYPYIBSA-N 439.896 0.031 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[nH]3)[C@H]2C1 1788806768 VRZBNNXQSKNUJW-ARQYOALSSA-N 426.477 0.742 50 20 ICGD O=C(Cc1cn2c(nc1=O)SCC2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1789709891 VXEFEFILNIUUJZ-NHULGOKLSA-N 444.916 0.406 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)[C@H]2C1 1789770757 BCNRPOFABUVSKU-UFYUIRFASA-N 441.956 0.621 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925920 YWCXQQHOMAGSLB-JUFZMCDQSA-N 437.310 0.030 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791288559 FKARNXXBAXPAIV-IHRRRGAJSA-N 433.347 0.124 50 20 ICGD C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881127 QCMIDEZYRAAONH-RMEBNNNOSA-N 432.949 0.303 50 20 ICGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)n1 1796597140 YVBSRJSPCWSQGT-GUIRCDHDSA-N 429.315 0.516 50 20 ICGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797825743 BADKWVBOTBJJTR-LOUJCGABSA-N 426.901 0.710 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1800756644 BZDRHWWBRFTBEH-MCYUEQNJSA-N 440.294 0.839 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)cc(C(N)=O)cc1C)C2 1800977095 RLTLOOIHBLIIBE-DFGXFYAUSA-N 437.924 0.859 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(F)cccc1F)C2 1801011807 GQMJTRLPHSOLRZ-GFENJXEQSA-N 438.475 0.470 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1807290122 VCKXPJDSNNLHMV-KUHUBIRLSA-N 429.481 0.203 50 20 ICGD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)[C@H](F)Br)[C@@H]1c1cccnc1 1807612963 AQFNFFKXQCAJCV-YUTCNCBUSA-N 426.250 0.465 50 20 ICGD NC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)c1ccccc1 1809881712 ZKEXGGOOFJITCY-JOCHJYFZSA-N 449.360 0.954 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)c1 1810297911 GBIUHVSJTUWXOU-DNVCBOLYSA-N 448.487 0.447 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncccc1F 1811121458 HPNIALKNNOJGNR-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C)CC2 1817276704 AXTKXFJBSCJFKY-ZFILKEQLSA-N 431.522 0.751 50 20 ICGD O=C(Cc1ccc(O)cn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822889953 DEUDWNYTNJOGCK-IBGZPJMESA-N 449.276 0.739 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523251 STJDNQUIBREBGD-MEDUHNTESA-N 447.717 0.983 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830727027 ZGXSGSIBKFISGO-UZLBHIALSA-N 441.912 0.079 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831656491 GDDCISOVOZROLJ-AUUYWEPGSA-N 442.900 0.425 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1832296911 FUOBTZOCLMOJTM-GUYCJALGSA-N 434.331 0.095 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1)[C@@H](O)CCl 1833312436 NFWCJZCYAQPMQV-IBGZPJMESA-N 439.984 0.856 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836448290 XSJOFJFRMHVPIB-MGPUTAFESA-N 436.896 0.887 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836715356 RFZZXKZTTCANRC-INIZCTEOSA-N 443.888 0.390 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1 1837922017 BLAAPFBKHFKROW-GOSISDBHSA-N 444.337 0.405 50 20 ICGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839198405 ZLGUKYRQYIIDGS-CJNGLKHVSA-N 449.277 0.189 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839449170 WWJVHAYDGTYJQX-KZULUSFZSA-N 443.294 0.951 50 20 ICGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188042 LDPLOJUJPNKWCY-OAHLLOKOSA-N 425.700 0.797 50 20 ICGD Cc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1840705946 GDCZSLNRVVHKLB-APWZRJJASA-N 432.851 0.943 50 20 ICGD Cn1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(C(F)(F)F)n1 1843014204 KNQSPYWABHZCGK-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 1846384270 WQGBZYJRGRJTKU-OAHLLOKOSA-N 437.541 0.572 50 20 ICGD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)ccc2c1OCCO2 1846384870 SWUBZDLYUVSTPS-UHFFFAOYSA-N 430.505 0.956 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1847118109 IUWOXMLKNZGTJD-UHFFFAOYSA-N 441.463 0.893 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)c2c(C)nn(C)c2C)c1 16203489 YYUACVNPVQFZLM-UHFFFAOYSA-N 435.506 0.711 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 725872742 RDTPTYVWTFAMRY-UHFFFAOYSA-N 431.424 0.276 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2c(C)nc3ccccc3c2=O)n1 728722949 KDWAWEVCBLJYHS-UHFFFAOYSA-N 429.458 0.403 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C3=NNC(=O)C3)cc2)cc1 732260837 ZKJZCMGDTVZAPU-UHFFFAOYSA-N 445.457 0.523 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cc[nH]c1)N(S(C)(=O)=O)CC2 732264845 ZDTRXHGDLZLIMI-HNNXBMFYSA-N 436.490 0.742 50 20 ICGD CCN1CCCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 732470077 ZXAVNYOCFLXLHL-MRXNPFEDSA-N 439.586 0.518 50 20 ICGD C[C@H]1NC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 734239272 KXNBZDJJHMLUKL-GFCCVEGCSA-N 433.469 0.180 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC 735874716 UBUVNXSFOOTLAD-AWEZNQCLSA-N 444.448 0.954 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCCN2CCN(C)CC2)nc1 737064540 IDJSXJMKQAOJSA-UHFFFAOYSA-N 441.602 0.766 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 741753921 VNFPAENKHGKUTL-HXUWFJFHSA-N 438.484 0.882 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742471112 OIJGHEKMVXEXLT-LTDCPUDJSA-N 431.445 0.164 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)ccc1O 743732512 YVRHEQRTLHCRSS-RFHZTLPTSA-N 438.234 0.078 50 20 ICGD CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NNC(=O)c1ccc(C#N)cc1 744404887 ZQTGQDHZWJRCMM-UHFFFAOYSA-N 444.536 0.804 50 20 ICGD CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 744619089 HMDYJYYDIMMBFD-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2-n2cnnn2)c1 744719166 QNDSMGGOCJKBQF-UHFFFAOYSA-N 425.792 0.805 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 746307024 MDXYBUPKILHPCA-UHFFFAOYSA-N 446.489 0.297 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)Cn2ccnc2C)cc1 749196282 LGYDMLISJWKJGU-OAHLLOKOSA-N 436.538 0.787 50 20 ICGD N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 750666579 OGVZLBNJRAVXAO-WJDWOHSUSA-N 429.454 0.849 50 20 ICGD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)CNC(=O)c3ccco3)c2C)n1 751201372 IZMZLHJAHHVUGF-UHFFFAOYSA-N 425.449 0.609 50 20 ICGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNc2cc(Cl)nc(N)n2)C1=O 753452813 VUDZRRGRHMOPQY-GOSISDBHSA-N 433.856 0.940 50 20 ICGD CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 753818604 ZNBSSJSNJDBFED-UHFFFAOYSA-N 439.582 0.740 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NN=c1sc2ccccc2n1C 754821539 OIAOVDSGNOUJDS-UHFFFAOYSA-N 435.531 0.845 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cnn(C(F)F)c1 757864706 CJXWWFXLJQKQPW-UHFFFAOYSA-N 444.420 0.766 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1nccc(N2CCOCC2)n1 762855279 IHPQWYJSDUKINB-LBPRGKRZSA-N 440.913 0.777 50 20 ICGD Cc1oc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1S(=O)(=O)N1CCCC1 762861203 KQUNQZKWGMLAAK-UHFFFAOYSA-N 436.494 0.756 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 763444947 CZRXGNYIFCKZBU-UHFFFAOYSA-N 436.384 0.959 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1OC 763543077 KCVHMRPVUDYRMS-UHFFFAOYSA-N 426.429 0.996 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)o1 763579747 ROLBHIUCNPCPQB-UHFFFAOYSA-N 443.460 0.567 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 763886388 WVJOVPGERBJRGU-UHFFFAOYSA-N 448.505 0.071 50 20 ICGD COCCCOc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921681 NPFPAMQKMDCZFC-UHFFFAOYSA-N 439.432 0.477 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 764132599 YVYOXVGVSXTGNQ-UHFFFAOYSA-N 428.445 0.491 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 764226069 FERFPLPZKZTOQD-GFCCVEGCSA-N 445.457 0.374 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c2ccccc2O1 764342162 BKWJTNJZFDTGPU-SFHVURJKSA-N 448.439 0.174 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764365894 HPSPFZALSVVPDN-CQSZACIVSA-N 428.445 0.963 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(Cc3nc(C)c(C)o3)CC2)cc1OC 772747740 UHRCSEPEWIVWBV-UHFFFAOYSA-N 431.493 0.887 50 20 ICGD CO[C@@H]1CCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 775458676 MRVWORAADHUAMJ-GOEBONIOSA-N 426.543 0.459 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775459852 GZKGOMANVJDNMW-CZUORRHYSA-N 444.492 0.557 50 20 ICGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc21 777938664 ALBYXGWYZGKQBF-UHFFFAOYSA-N 426.495 0.820 50 20 ICGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)c2)CC1 782120952 NNNOEXHVEKWSDP-UHFFFAOYSA-N 441.463 0.823 50 20 ICGD CC(C)OCCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 783327793 RYGGWBFUZAZAEU-UHFFFAOYSA-N 442.538 0.857 50 20 ICGD CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 783425722 DAXWSXUIOBFUOA-HXUWFJFHSA-N 436.534 0.695 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 784001653 ADDLEQXBYXYMIM-UHFFFAOYSA-N 448.395 0.999 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784001855 FLSSJRJXKIFAAH-UHFFFAOYSA-N 446.416 0.369 50 20 ICGD COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 787900075 ZRLKOLZWVQHLHK-LLVKDONJSA-N 426.857 0.462 50 20 ICGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCN(C)CC3)c2)C[C@@H](C)O1 788170068 YREKVSBKTDGSIM-HUUCEWRRSA-N 439.538 0.086 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 792797515 FFEANSSKNCEEHM-AWEZNQCLSA-N 446.485 0.086 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)c1cc(Br)c[nH]1 794824530 RQHOXJYKYXDGKZ-UHFFFAOYSA-N 441.267 0.393 50 20 ICGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1Cl 797369261 RBGZKSIBRVYAHV-UHFFFAOYSA-N 447.835 0.451 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 800629043 JVRGSSIEAVJSPL-UHFFFAOYSA-N 434.346 0.865 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnc(S)[nH]1 800687142 LRFYXNGGERKRDA-UHFFFAOYSA-N 439.519 0.113 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2COCCN2CC(F)(F)F)cc1OC 801346876 ASYYJCNJUCXARC-LBPRGKRZSA-N 449.382 0.271 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 802027284 ZUMLCQRWKZUFJA-UHFFFAOYSA-N 427.533 0.769 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNc1nnc(-c2ccccn2)s1 803170869 FMOHDJTZQBSICD-UHFFFAOYSA-N 430.475 0.898 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 804867212 LECDAJVXRWTTHJ-MQVJKMGUSA-N 427.509 0.670 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1ncccc1F 807300180 CDZSNTRRLDVUDP-UHFFFAOYSA-N 437.453 0.632 50 20 ICGD Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 808069029 MATACZOQOOZQMZ-UHFFFAOYSA-N 432.911 0.917 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3cccc(F)c3)nc21 810382052 GHXRUUHSKVCQKO-UHFFFAOYSA-N 437.457 0.848 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812729662 SHHSDTUOEGFWQL-MRXNPFEDSA-N 432.568 0.974 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)CNC(=O)c1cccs1 815227674 GVZPNOWYKGJLOA-UHFFFAOYSA-N 433.231 0.277 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)nnn1Cc1ccc(C(F)(F)F)cc1 815569191 KENLDPPVIIWZFY-UHFFFAOYSA-N 427.387 0.301 50 20 ICGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cn2)CC1 815573357 HTFUUVKVRZZYAV-UHFFFAOYSA-N 443.420 0.960 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cnc3sccc3c2=O)cc1OC 819047047 HDCOBSBEKVWORY-UHFFFAOYSA-N 446.441 0.480 50 20 ICGD O=C(CSc1nnnn1C1CCCC1)NNC(=O)c1csc(N2CCOCC2)n1 906486856 QWEWJARVYQVOEV-UHFFFAOYSA-N 438.539 0.635 50 20 ICGD CC(C)(CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCOCC1 915894249 JMRYEFINKYREFA-UHFFFAOYSA-N 432.569 0.640 50 20 ICGD O=C(O)c1cc2c(c(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c1)CCC2 917727881 QEWIRRZOJANFAK-UHFFFAOYSA-N 428.430 0.473 50 20 ICGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)c1Cl 1318735344 IMCRXTICTMBCHK-SSDOTTSWSA-N 445.853 0.321 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)cc1 1343791164 WSCYSMZGHFKYML-UHFFFAOYSA-N 438.531 0.830 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779223064 DSJZJNCBLDMTJU-JKIFEVAISA-N 428.331 0.918 50 20 ICGD CSc1ncccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779838093 HHMJLBNPOZXWGN-NRFANRHFSA-N 441.318 0.241 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783533766 HPBFVIHOYJWEQQ-HYSWKAIVSA-N 449.298 0.095 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092959 YKOKWFOUDFHXOR-SCTFDZSOSA-N 441.868 0.802 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981831 ALIONMRVFMREKQ-QRFRQXIXSA-N 440.280 0.721 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nc1 1788610552 FTDQHILBUDBSRC-FNHZYXHNSA-N 438.488 0.296 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21 1791287195 SPPWFJMNSLQKTG-VGWMRTNUSA-N 430.496 0.775 50 20 ICGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792124295 SWFCUOXOSVXCRA-RBZJEDDUSA-N 447.960 0.869 50 20 ICGD O=C(Cc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792942579 GNODUNGLWGLJPG-DJZPMSPPSA-N 446.287 0.980 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1-c1ccncc1 1794467364 KSAWLIURCHHTBJ-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(F)cc1)c1ccc(B(O)O)cc1 1795591189 XOGJEQMZEUHANB-REPLKXPHSA-N 426.253 0.836 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cn2c(F)cccc2n1 1796192942 CTLPEUFCHBDWJE-BJWYYQGGSA-N 436.252 0.719 50 20 ICGD COc1ccc(-c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)n[nH]2)cc1 1796494633 FEOSIQKUNPKJMY-GTYSZEQSSA-N 448.907 0.888 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccnc2c1)c1cccc(B(O)O)c1 1797588192 RRCNXQYCQWTYOI-REPLKXPHSA-N 430.273 0.875 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c(F)cccc12)c1ccc(B(O)O)cc1 1798149737 SPBPPCMROMHKAB-MUJYYYPQSA-N 436.252 0.947 50 20 ICGD COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522187 JRKOSPGXMNIOGL-HBCWATKFSA-N 435.433 0.760 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nn1C(F)F 1799399931 YCVIAVRNXZPEDI-MUJYYYPQSA-N 432.236 0.832 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)[C@H]1c1cccnc1)[C@H](O)CCl 1803140163 YKERKXJNPQZXHI-ZNMIVQPWSA-N 429.868 0.439 50 20 ICGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1805949416 VTSULINWXFSSNC-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376322 YDZUXOMDCAHAJE-IKLPIYGKSA-N 445.288 0.518 50 20 ICGD O=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H](F)Br)[C@@H]2c2cccnc2)=NN1 1808667831 FVYPTICATITYJE-SWHYSGLUSA-N 426.246 0.654 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1811474138 INATZSWIIQRRJK-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1813067793 DODOMHFSEQLJIW-DAYGRLMNSA-N 425.917 0.060 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)N(C)C)n[nH]1 1814564848 IUJQZLDRXSFTRZ-CQSZACIVSA-N 436.517 0.046 50 20 ICGD O=C(Cc1cscn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339636 LCQIDPXBWMFESP-ZDUSSCGKSA-N 442.331 0.748 50 20 ICGD Cc1[nH]nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1F 1816228860 NLOGWERTBJGGLF-OAHLLOKOSA-N 440.244 0.880 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472000 BBOYPAPQKVEOSC-AUMHUTNHSA-N 446.338 0.554 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819364496 WOZCTTPVEXLWLW-MSOLQXFVSA-N 440.309 0.969 50 20 ICGD CN1CCC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1820723590 ONCOCXHZBXHNFS-APWZRJJASA-N 439.325 0.737 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088681 ZRNRYZRKPIUCIP-WUTCKBNWSA-N 443.595 0.587 50 20 ICGD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)n(C)n1 1827056328 SEUVEYASUXQYOD-FQEVSTJZSA-N 438.337 0.955 50 20 ICGD CC(=O)NCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060324 FWZBLXWVGAGXCS-FQEVSTJZSA-N 429.326 0.126 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1 1828924063 IDTGYUOLTYYDNU-JTDSTZFVSA-N 429.521 0.689 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1830547023 ZEFOAWVODHCLSN-KSSFIOAISA-N 443.342 0.830 50 20 ICGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830722935 KELMQYABIBNLJX-YVEFUNNKSA-N 435.308 0.295 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831107586 MYCXXBKCOKAUIW-XLIONFOSSA-N 431.961 0.429 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831643755 GOGDEJYTLYJSDN-QRWLVFNGSA-N 425.913 0.863 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831834816 IYXWCHAYWGKKIX-QZTJIDSGSA-N 433.977 0.147 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833145712 VBENCWTYJJBHHJ-CYBMUJFWSA-N 446.390 0.613 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)ccn1 1834823053 GUTKOTDCPXWKQD-GOSISDBHSA-N 442.310 0.945 50 20 ICGD O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834895952 MVZTYPGHLQPLEV-UHFFFAOYSA-N 427.347 0.635 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202057 IHRPGFRIFDDQPA-QAPCUYQASA-N 443.342 0.821 50 20 ICGD CCc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150502 MXJVDRBQNDWFSR-OXQOHEQNSA-N 425.913 0.968 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(O)c3F)C2)C1 1840154934 KTAJHOQPWQWMHK-HXPMCKFVSA-N 448.850 0.994 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840155368 ZKVOZCFMFUBCJB-DJJJIMSYSA-N 444.868 0.127 50 20 ICGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1840321764 HYTGGZOBUHRSHO-HZPDHXFCSA-N 426.297 0.035 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841113431 IEUVCYOYCOAUIT-AWEZNQCLSA-N 444.444 0.863 50 20 ICGD O=C(Cn1ccc2c(F)cccc21)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012693 GFNVQUBFCWOHEB-UHFFFAOYSA-N 435.264 0.977 50 20 ICGD O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1ccc(Cl)cc1 10053806 PVMHZNWJNRLEGL-UHFFFAOYSA-N 436.852 0.899 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 11304235 PUSRFGXXAZHRIY-UHFFFAOYSA-N 447.469 0.562 50 20 ICGD CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16786219 BAHRLQFTTICLJJ-BELXIORKSA-N 439.578 0.926 50 20 ICGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)s2)cc1 18995928 IPKYKWXQDMJMQM-UHFFFAOYSA-N 440.322 0.781 50 20 ICGD COc1cc(Br)c(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 727228062 LIFHVZDSDRLOQY-UHFFFAOYSA-N 429.271 0.919 50 20 ICGD N#CCN1CCC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 730674977 SEKQIQFZYAFSKV-UHFFFAOYSA-N 434.522 0.403 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 730781741 AOEVHIUNVGNTSI-UHFFFAOYSA-N 441.487 0.315 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@H](C)O1 732260621 WSJJMZDHPIBDOP-RYUDHWBXSA-N 428.467 0.259 50 20 ICGD O=C(NCCNC(=O)c1c(F)cccc1F)NNC(=O)c1ccc(-n2cnnn2)cc1 732991725 JCIQJZBHZBRMPL-UHFFFAOYSA-N 430.375 0.315 50 20 ICGD CC(=O)NCC(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 733264706 DVXCWZUNTLBSFF-UHFFFAOYSA-N 436.472 0.698 50 20 ICGD CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 733359672 XKDUBKONJBDDTK-UHFFFAOYSA-N 447.355 0.946 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741206579 GAMIJGHBXNLZDA-UHFFFAOYSA-N 436.465 0.301 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 744565440 JFMJDKJLAPZTGL-RCBQFDQVSA-N 426.429 0.426 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(N2CCOC2=O)c1 745592537 ZVVLOYGCZHEVOR-UHFFFAOYSA-N 432.462 0.068 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc2c1=O 746338912 IIHDMEIOBVZKJQ-LBPRGKRZSA-N 440.382 0.431 50 20 ICGD O=C(Cn1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1)NC1CCCCC1 746578470 AMGAPMFPBKWKTA-GOSISDBHSA-N 427.461 0.933 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NC3CCCCC3)CC2)cn1C 747696352 TZDIMSRVOPQQDL-UHFFFAOYSA-N 426.543 0.792 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2cc3ccccc3o2)c1 750288441 IMSQLPCJRBNRFE-UHFFFAOYSA-N 445.457 0.924 50 20 ICGD COc1ccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1OC 753822181 LTVHYKFNRULPND-UHFFFAOYSA-N 426.495 0.604 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnc4ncccn34)CC2)cc1 755789174 JLVMTEDSLOKPBO-UHFFFAOYSA-N 441.517 0.494 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 756624807 GRRKHDZRDIQBBB-UHFFFAOYSA-N 430.446 0.851 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 756640146 JVNMIPTYNAHSQO-JTQLQIEISA-N 442.416 0.731 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756712933 QNCRJLJFXHDIOP-GFCCVEGCSA-N 432.524 0.816 50 20 ICGD Cc1cccc(-n2ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C(F)(F)F)c1 758046239 GLSOKDDQBLZYKI-SNVBAGLBSA-N 433.412 0.898 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@]3(C)CCCS3)nc2)CC1 758859582 DNAATZOBACVHKW-QGZVFWFLSA-N 428.584 0.930 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc(C(=O)O)c1C 760336206 YTYSLZYVQVGHPC-UHFFFAOYSA-N 440.503 0.918 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 763446885 XYQXZVDALFNTBF-OAHLLOKOSA-N 428.357 0.323 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)c2ccccc2Br)cccc1C(N)=O 763483567 REGGLOJKWTXXJB-UHFFFAOYSA-N 435.234 0.956 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 763679728 CAGPSAGDPPNLOX-UHFFFAOYSA-N 439.403 0.596 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c(C)cccc2F)cc1 763739052 XXUWZISWLPKMSC-UHFFFAOYSA-N 436.465 0.849 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1F 763807742 FYCGGKDDJQCIKZ-UHFFFAOYSA-N 434.336 0.685 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F 763850913 QRTNXPWAXVVKBZ-SNVBAGLBSA-N 441.412 0.922 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 764001950 HMTYOZOBTNGMTD-MRVPVSSYSA-N 441.359 0.287 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)c1=O 764277279 AQUFAESHYQJGMZ-UHFFFAOYSA-N 437.250 0.572 50 20 ICGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccccc2F)CC1 764320778 KYHJPUMKYHMKQW-UHFFFAOYSA-N 441.463 0.542 50 20 ICGD COc1ccc(CC(=O)NNc2nccnc2OC)cc1S(=O)(=O)N1CCOCC1 764463682 ISFLKPOEOXLJIF-UHFFFAOYSA-N 437.478 0.201 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2CCC(c3ccccc3)CC2)n(C)c1=O 765730982 QHQNDGKZJVALPG-UHFFFAOYSA-N 438.488 0.555 50 20 ICGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770371996 OTEXCAROGHSHLO-CQSZACIVSA-N 447.544 0.856 50 20 ICGD C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@H]1CN(Cc2ccccc2)CCO1 770397861 QODBMZCQUXNMCW-XJKSGUPXSA-N 426.481 0.985 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)nc21 770974721 ZLUPZGYBEGNETP-UHFFFAOYSA-N 425.858 0.534 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-c2nc[nH]n2)cc1 771415713 MNNMNUKYJRTWDO-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 771610713 VXDVJHXCTLFGLK-QGZVFWFLSA-N 430.486 0.547 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C 778440284 DBRDZMZWJWAGKB-UHFFFAOYSA-N 430.483 0.231 50 20 ICGD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782898355 ZSUXQRXBSWYRFB-UHFFFAOYSA-N 449.537 0.702 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1Cl 784003156 AQKRJTKSPAJPMU-UHFFFAOYSA-N 438.849 0.704 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3ncc(F)cn3)cc2)CC1 784950171 NWJZHSMKYRAWFS-UHFFFAOYSA-N 429.456 0.404 50 20 ICGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1Cl 788480942 OMJGQNFQWIHNOG-SSDOTTSWSA-N 430.913 0.241 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789811136 VHXPMROOERLSHR-ZFWWWQNUSA-N 429.433 0.255 50 20 ICGD C=CCNC(=S)NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 792951386 RVUYUYMMTHICSQ-UHFFFAOYSA-N 438.579 0.920 50 20 ICGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 797535894 QKCJJOKVLRCNSR-IBGZPJMESA-N 440.456 0.758 50 20 ICGD COc1nnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 801749264 VKENEVUTDHEEQB-UHFFFAOYSA-N 426.480 0.798 50 20 ICGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 802566172 CGOKIKLLMICGCQ-UHFFFAOYSA-N 435.339 0.922 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810386481 CCDDNQPUPYACCG-UHFFFAOYSA-N 435.437 0.408 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(C)(=O)=O)cc2)cc1 810681122 JQTGAYFBQBNHNH-UHFFFAOYSA-N 440.503 0.470 50 20 ICGD COCc1nc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1 812551301 HPIQCZOHLJRLLQ-UHFFFAOYSA-N 427.508 0.684 50 20 ICGD CCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 906486841 QHZKHTUOCPAGPN-UHFFFAOYSA-N 430.486 0.444 50 20 ICGD COc1cccc(C(=O)N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 912886531 WABZWKZWDHFGPD-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912920115 VARQBKFEYDUKCM-GJZGRUSLSA-N 426.539 0.634 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCn2nc(C)cc2C)cc1 915889487 BXQRPLLPWDSRRQ-UHFFFAOYSA-N 436.538 0.850 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1cccc(S(=O)(=O)N(C)C)c1 915957456 KHLWRMWZMPCXBD-UHFFFAOYSA-N 426.480 0.166 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc2c1COC2=O 918726895 WQSHQJUMUUPOIT-UHFFFAOYSA-N 438.487 0.582 50 20 ICGD Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919884998 MBZBSPZQOVHALJ-HNNXBMFYSA-N 436.490 0.930 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1)NNc1nc(Br)cn2ccnc12 1117676409 CQNQCDFLBVJTJB-UHFFFAOYSA-N 425.268 0.913 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCCCN2CCN(C)CC2)c2ccccc2c1=O 1318726921 SYDWCCOMYNDZJM-UHFFFAOYSA-N 429.525 0.388 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 1321843187 PYLGADGBMOTBEY-UHFFFAOYSA-N 432.380 0.565 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]c(Br)c2)CC1 1321894148 OVNNJURTGHSIGB-UHFFFAOYSA-N 443.327 0.865 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779214698 YNSGTLYFIVPPST-CKEIUWERSA-N 428.331 0.775 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378262 JFLAMGKEPFZWEK-BMIGLBTASA-N 430.259 0.792 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879437 GLYCUEJOJHRRPJ-DIFFPNOSSA-N 440.298 0.193 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cncc4cnccc34)C2)C1 1780010890 QKEDHLCBLQFTJX-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1780895852 XDCWNXZLCFBHFZ-ACJLOTCBSA-N 430.910 0.507 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1782284393 FXTDZGZHIMAYBY-NRFANRHFSA-N 439.302 0.667 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783933525 OZNUGYLYYXFGGA-JOCHJYFZSA-N 447.536 0.226 50 20 ICGD N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980922 FATGTAYIRRQIRO-JBACZVJFSA-N 433.273 0.145 50 20 ICGD CC(C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611715 UHHJPFZJLPEXFH-JQFCIGGWSA-N 433.509 0.094 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1789860438 UJOWFETYRZJDOA-UHXUCMFUSA-N 444.941 0.449 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccncc1)c1cccc(B(O)O)c1 1794215408 UDICBHAARMHBQB-BCDXTJNWSA-N 425.319 0.806 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@](C)(O)CC(=O)O)C2 1796893832 XYALHAIKGREVLT-ZTHRVVOXSA-N 447.492 0.374 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)cc(F)c1 1798990549 KWCKXDQWMPPEQQ-CCWDJLKJSA-N 430.216 0.162 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800644079 HNNORLNCSFYPMB-ZWUHOBOKSA-N 433.347 0.123 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800733275 BGQNVBJEFKKHHQ-LAKNTTSMSA-N 433.892 0.086 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncccc3c1)C2 1801011496 QHUIBXZDTIDDBD-OPMZPASUSA-N 439.516 0.811 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2F)CC1 1802045937 BWMPPPODMSABGK-VPTLXERWSA-N 446.523 0.820 50 20 ICGD C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803565460 VRVFASWTYIMOCB-OZOXKJRCSA-N 437.305 0.672 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)[nH]1 1803819844 NFRKSOQHDMMCRG-JXFKEZNVSA-N 427.509 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncccn1 1805776739 QLVSLBOMXIKBCW-PKOBYXMFSA-N 431.261 0.185 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)[C@@H](F)Br)CC3)C2)N1 1806848112 ASMZEXQSZGQYJU-ZYHUDNBSSA-N 433.278 0.506 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364100 PBAXEASGMUQUHN-UWJYYQICSA-N 447.256 0.348 50 20 ICGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1C[C@@H]2C[C@H]2C1 1809972516 PWAJFALOPOQVSG-HOJAQTOUSA-N 439.365 0.551 50 20 ICGD Cn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)cc1O 1816122296 FLUMFRNWAXFTDN-MRXNPFEDSA-N 438.253 0.148 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCBr)[nH]n1 1817246333 DZSGRBVPBAPPDQ-CMPLNLGQSA-N 429.319 0.780 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C=CCN1)CC2 1817280121 NYMXNNHGSUSYEI-QNNUWVPTSA-N 441.517 0.717 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474802 ZBRFFHGVTRJSBK-MOPGFXCFSA-N 439.325 0.880 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1 1819402747 JQPLBMBQSUHJDT-HNNXBMFYSA-N 438.452 0.006 50 20 ICGD CC[C@@H](NC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795264 LLNSDCMBINLOMF-GXFFZTMASA-N 431.522 0.365 50 20 ICGD O=C(Cc1ccc2ncnn2c1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1822492329 YMDSBSACEHYRGT-YPMHNXCESA-N 434.909 0.940 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087472 DJLRYOFDIGJEFB-QWHCGFSZSA-N 448.553 0.356 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055698 CLPLAPHHGXNWRY-OAQYLSRUSA-N 437.305 0.547 50 20 ICGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550950 FCWAEBZHIHEACF-UWJYYQICSA-N 433.892 0.671 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc[n+]([O-])cc2)CC1 1829512767 JXQKAMXMOBWKQP-NRFANRHFSA-N 437.305 0.547 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830538800 QMHBJSCOBOPALF-DYVFJYSZSA-N 429.315 0.440 50 20 ICGD O=C(c1ccoc1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727720 CLKOWRADNMIACA-MLGOLLRUSA-N 440.802 0.968 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830732999 CTBGEDFUWLVPKQ-QFBILLFUSA-N 430.860 0.504 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831873651 RLAGWULHQNQHDT-WMZOPIPTSA-N 435.569 0.670 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnc(OCF)cn1 1833988936 YTYFLHLJDDGUFT-INIZCTEOSA-N 443.907 0.567 50 20 ICGD Cn1cccc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834098535 KMELAZUKPHFDKY-UHFFFAOYSA-N 438.337 0.204 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834120126 FKOXNPMCZWUQHA-RDTXWAMCSA-N 443.342 0.972 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835456576 WLPOGSUAMPOSSA-KRWDZBQOSA-N 444.960 0.654 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838388911 BJJXFHPXONPSME-YLJYHZDGSA-N 427.929 0.966 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)n1 1839152320 WAYATBNBTDWZJU-DLBZAZTESA-N 435.308 0.613 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840030552 PDZHHOIBWSCEAQ-MPGHIAIKSA-N 432.359 0.711 50 20 ICGD O=C([C@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010538 ZMIYFNGDLXHRPB-LEWJYISDSA-N 434.301 0.479 50 20 ICGD CCOC(=O)C1(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)CC1 1843417042 QEIYXTPJXMWTRS-OEAKJJBVSA-N 429.477 0.667 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1844692380 QETVAPFKAWIHIF-OAHLLOKOSA-N 430.417 0.616 50 20 ICGD CC(C)c1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)no1 1848162046 GJFZCGMEPMKBDY-GJZGRUSLSA-N 427.465 0.250 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 17329717 PEMGODOLWTTYHU-HXUWFJFHSA-N 441.400 0.832 50 20 ICGD CC(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 25437465 VUBSZNAKOFFECQ-RZXPCSSPSA-N 431.536 0.183 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 726868907 JSWGUWBDVRYNGT-UHFFFAOYSA-N 445.567 0.239 50 20 ICGD CC(C)c1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnc2ncnn12 728327380 JDSXOOFITORUAO-HNNXBMFYSA-N 440.416 0.392 50 20 ICGD COc1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 728342960 KQMFZIKVCJMYPN-KRWDZBQOSA-N 445.384 0.677 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(C#N)c2)cc1 728826703 BJCSORDFPKMTCG-UHFFFAOYSA-N 429.458 0.598 50 20 ICGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c1=O 729339814 BPCWBWKYZBBSKV-NSHDSACASA-N 437.503 0.002 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CCC(=O)NCCNC(C)=O)c1 732286717 VYNGIVBBSDMEBS-UHFFFAOYSA-N 429.271 0.251 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733547528 PROVIFFFMXKWJH-UHFFFAOYSA-N 447.835 0.540 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 734240455 OFPPFYAQOASDKN-UHFFFAOYSA-N 426.474 0.096 50 20 ICGD CCN(CC)C(=O)CCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118844 YRBMJFLWXAIKLS-UHFFFAOYSA-N 440.570 0.500 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(Cl)nn3)c2)CC1 735688229 FVDRTDWNPPLVLK-UHFFFAOYSA-N 438.897 0.740 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 742455067 XERNICZBSXTCCQ-IBGZPJMESA-N 446.471 0.579 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1ncccn1)N(S(C)(=O)=O)CC2 743296625 IOCBJJWBJQGJRE-CQSZACIVSA-N 449.489 0.204 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 743830059 LYXVQBUGURLXKY-UHFFFAOYSA-N 437.478 0.498 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOCc3ccccc3)nc2)CC1 747588604 FSQIWRYWNVNBRD-UHFFFAOYSA-N 448.549 0.861 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)cc1Cl 747613497 MITNGPAAGFOXCP-LURJTMIESA-N 448.306 0.027 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 748594723 XCCWEDWWCPRBJF-UHFFFAOYSA-N 436.556 0.162 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1ccc(O)cc1 751139615 MXDSOBCSIISNDW-UHFFFAOYSA-N 447.513 0.736 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 751806304 VXNJSWGUDORSFG-UHFFFAOYSA-N 435.842 0.806 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)n1-c1ccccc1 755039227 QGNKIPINHWWZDZ-CQSZACIVSA-N 444.517 0.956 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)Nc1ccn(CCN2CCOCC2)n1 756648234 ZSXHUEWXJCDXHE-UHFFFAOYSA-N 440.464 0.573 50 20 ICGD CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 756730440 TYBTWNCHRBVJDG-DLBZAZTESA-N 440.522 0.609 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 759718332 MVSSYDHEEHSCLF-ZWKOPEQDSA-N 429.271 0.580 50 20 ICGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc21 760068351 LGAGNXXOPYAGKM-QFIPXVFZSA-N 449.471 0.499 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccn4ccnc4c3)nc2)CC1 762403053 SQOGMDYLIPTJIG-UHFFFAOYSA-N 444.521 0.492 50 20 ICGD O=C(NNC(=O)c1ccc(F)c(I)c1)N[C@H]1CCS(=O)(=O)C1 763304687 UKOIIDPZUVLMFC-QMMMGPOBSA-N 441.222 0.561 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c1 763618526 BLNCCIIDZQNSMN-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)cc2C1 763940925 VHCCKTJMBVTEID-LLVKDONJSA-N 432.506 0.557 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763974433 PPFJJWGKVIUBSV-UHFFFAOYSA-N 433.852 0.945 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 763999300 VFOCSPVXWMSOQI-AWEZNQCLSA-N 449.460 0.925 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(Br)c(F)c1 764001812 FIOBXHMNYDHXBD-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764138172 ABCZUEFPBAASIX-UHFFFAOYSA-N 426.429 0.976 50 20 ICGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)c1cc(Br)ccc1O 764278710 WJPDKAYMITVSFD-UHFFFAOYSA-N 439.222 0.978 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 764295257 LOFBRGHBUQXSQJ-BETUJISGSA-N 426.495 0.086 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 764398121 CYRMQUVDZIRWRE-GFCCVEGCSA-N 440.884 0.713 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 766570346 DEWOUVWBZOXQHU-UHFFFAOYSA-N 445.413 0.501 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 769199608 WVJXXEOJTPOUGM-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD C[C@H](CC(=O)NNc1nc(O)c2cnn(C)c2n1)/N=C1/NS(=O)(=O)c2ccccc21 770973253 ZCLBUCFOBRALKF-SECBINFHSA-N 430.450 0.029 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1ccccn1 777472653 VJEPHYIYECTTGR-HFQYIWAZSA-N 438.531 0.918 50 20 ICGD N#Cc1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 779968400 RNAVWLFFLYJXLW-GOSISDBHSA-N 445.443 0.674 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CCc1ccccc1O 780387709 SYDXLXUKJNTRKQ-UHFFFAOYSA-N 427.504 0.585 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCCN3CCNC(=O)C3)cc12 781399211 CXSUMVNIZQKSEG-UHFFFAOYSA-N 441.517 0.771 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(Br)ccc1-n1cccn1 783999395 NSWUUGYCWZNSBS-UHFFFAOYSA-N 449.265 0.343 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C[C@@H](C)O1 784003388 VVTUPLRTEMCYIM-ZIAGYGMSSA-N 443.460 0.409 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1C(=O)NC(C)C 784004284 VNQGGXGIFYKLIJ-UHFFFAOYSA-N 445.501 0.711 50 20 ICGD NC(=O)Cc1ccc(NC(=O)C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1 785100244 URBJFUWZPXURCZ-UHFFFAOYSA-N 431.399 0.967 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)c1 789856884 LEXBAZHHEAOKOA-UHFFFAOYSA-N 430.914 0.754 50 20 ICGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(=O)O 790387597 BMGRZVSGHHTDJX-UHFFFAOYSA-N 431.810 0.379 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)Cn1cnc2ccccc21 792017724 NHAXDHQNUODNPY-GOSISDBHSA-N 437.378 0.815 50 20 ICGD COCCOc1cncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 801103640 KVJSKIGJUWMXSN-UHFFFAOYSA-N 448.501 0.966 50 20 ICGD CN(CC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)C1=NS(=O)(=O)c2ccccc21 802124994 YKDSFGMBTAPMBL-UHFFFAOYSA-N 430.490 0.986 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 807371150 FCVAGVVQUUAWQS-GFCCVEGCSA-N 426.495 0.440 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810386250 RLKIAXHPVKMRDX-LBPRGKRZSA-N 437.391 0.831 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 811831290 DQQUXTJXKXTCRK-UHFFFAOYSA-N 449.872 0.870 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)cc1 813033126 GAZLSXQJLZSCCK-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD Cn1ncc(I)c1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 814300928 NCAIRQWLWCCFFM-UHFFFAOYSA-N 448.242 0.503 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c(F)c1 815751848 QZRQVNUUSHDSMH-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 819721152 MYOIQCDLAAZNRZ-CQSZACIVSA-N 425.436 0.881 50 20 ICGD O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 839521603 PHSISWMITWVVIE-SFHVURJKSA-N 439.424 0.958 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 849366663 UFSWKDYGECUUEU-UHFFFAOYSA-N 431.474 0.760 50 20 ICGD CCCCn1c(CCC(=O)N2CC[C@@H](B(O)O)C2)nc2c1c(O)nc(=O)n2CCCC 864231220 KLXHWPCDJVBZNZ-CQSZACIVSA-N 433.318 0.907 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 919889754 SNESFNYRUINJEA-ZFWWWQNUSA-N 426.470 0.195 50 20 ICGD Cc1ncc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 920045074 ZKPITBXCXNCHOQ-UHFFFAOYSA-N 439.519 0.617 50 20 ICGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 1116098893 KSSTWEPCRRWKDV-UHFFFAOYSA-N 436.469 0.800 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1COc2ccc(F)cc2C1 1324541033 PDLOOHCNPHGOSW-SFHVURJKSA-N 440.475 0.982 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778132561 NKMVQZJEPFMCRC-PXARDIRTSA-N 447.444 0.735 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ccnc2c1OCO2 1780021413 GBQHIPKQNMHDCZ-IQUTYRLHSA-N 425.869 0.538 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780486721 PAJAYCKFEIVCGR-NRFANRHFSA-N 430.216 0.402 50 20 ICGD CN1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@](C)(Cl)CCl)C2)CC1 1780712919 YFTQBADNCMOOFQ-LSTHTHJFSA-N 449.423 0.984 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782534818 JKLUNCJBEHWFGA-UIVXKWKOSA-N 425.913 0.963 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCS1 1782753327 VCZLDVCBCWMDAK-WAOWUJCRSA-N 432.351 0.390 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783967503 VCHUETHOIIGCGB-MRLBHPIUSA-N 447.374 0.705 50 20 ICGD Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)nc2s1 1784849269 PASDDQQDZHGNHX-MHEUCROKSA-N 441.941 0.221 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1C 1785769795 XUGHRVNLJIUFLQ-CUWPLCDZSA-N 437.305 0.285 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1786407352 TYUSYVVPXRFTQL-IHRRRGAJSA-N 427.299 0.008 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(C)n1C 1786984857 RDSJKLJULPRBJS-YYWHXJBOSA-N 439.321 0.229 50 20 ICGD Cc1nc(F)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789063229 BHWBCQLSOJKAGN-XIRDDKMYSA-N 435.500 0.495 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293981 VNVGIDHOXZYKGV-GTAWCEEGSA-N 445.564 0.613 50 20 ICGD CC(C)(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1792975150 LDCIZIDSDVMDDZ-FQLMCAECSA-N 447.960 0.869 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1793604463 MBUKZMBOQSXHCE-XLWJZTARSA-N 449.907 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1796439723 YSRKFOQRVXHPNG-DHMDNZFNSA-N 441.492 0.066 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)c(O)c1 1799847967 WWLLFDPRXPBXCB-KRXQYRFLSA-N 439.896 0.808 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800762612 FIYMRQDIAZSWFX-SDNRWEOFSA-N 430.221 0.038 50 20 ICGD Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805532949 NUQVDRZJCLAQIP-GHTZIAJQSA-N 448.288 1.000 50 20 ICGD O=C(CCBr)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1806346233 CQZADFGLWSUMCV-LIRRHRJNSA-N 449.305 0.797 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809815342 NVSJLKMJBOWPNH-KGLIPLIRSA-N 431.375 0.841 50 20 ICGD CN(CC(=O)NC[C@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812393589 PDIBLHIRPWAXBX-YPMHNXCESA-N 431.276 0.434 50 20 ICGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)Br)[C@@H]1c1cccnc1)C(=O)O 1812863128 DBMMPQNOOGKOEY-DCDXPUDHSA-N 441.326 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H]1c1cccnc1 1813070901 LYDQLXNVWDFWTO-VGOFRKELSA-N 441.536 0.816 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1813070998 MZGXZEXFZDWNJE-YWZLYKJASA-N 443.508 0.213 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813177257 MMYDYPGKXMFJPQ-WRSAYESZSA-N 449.305 0.796 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)CN)sc2C1 1814743693 CLKAHENAKGAJEM-GGCJDZGJSA-N 431.522 0.784 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1)[C@H](O)CCl 1814869824 CPDMVVNJDUHNLT-NWDGAFQWSA-N 434.844 0.046 50 20 ICGD Cc1onc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1C 1815350586 YQCHLHLBRYHXKL-CQSZACIVSA-N 440.290 0.967 50 20 ICGD Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)cn1 1817473098 FRUDYEOQDVUSDU-GOSISDBHSA-N 434.265 0.808 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080326 BIPRZLLRTSKJRE-KBPBESRZSA-N 447.565 0.961 50 20 ICGD N=C(N)SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826782330 XWRBXKQJTAYRNI-KRWDZBQOSA-N 432.355 0.226 50 20 ICGD Cc1noc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1 1827148151 GMZANQGARHRYPS-QGZVFWFLSA-N 434.541 0.913 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829896510 KUTMIHDRTXCIHF-KDOFPFPSSA-N 432.359 0.568 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831640586 NXCLNZPQWSCXNB-OXJNMPFZSA-N 425.913 0.863 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832018711 XZMBFOYKHJZIKU-YWZLYKJASA-N 441.912 0.165 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833861589 LZTCTEOWKLLPRK-KRWDZBQOSA-N 445.314 0.284 50 20 ICGD O=C([C@@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1836719051 KPKLJRDRMVETNA-JKSUJKDBSA-N 436.958 0.162 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161503 BRBVSHRQABJTFW-XLIONFOSSA-N 436.896 0.658 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254296 WQBJDVSOAGMIRL-KCLICXKESA-N 444.326 0.061 50 20 ICGD O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837445073 BCIZALQENUAMAU-HQVSJVNPSA-N 449.321 0.605 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712437 QMBNARCNCLFNSI-LJQANCHMSA-N 440.573 0.350 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3cn[nH]c3)CC2)CC1 1838130872 AJMADCXDEAWDAM-UHFFFAOYSA-N 441.492 0.334 50 20 ICGD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1839743570 YUBNSABFWRSDCK-CJRTWVEFSA-N 435.427 0.975 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840029445 DRIDXDCCGDTLON-DXCKQFNASA-N 431.283 0.553 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840150252 IIHISCJEAOXQSY-PXNSSMCTSA-N 425.913 0.724 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1840150738 PUKUFVWNRRPLFL-YLJYHZDGSA-N 431.961 0.429 50 20 ICGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2)OCC 1840156470 SMJBGRHFUNRWNH-HNAYVOBHSA-N 436.933 0.486 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)C1 1844777063 MNOMTVRBIUJQDE-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD Cc1nn(Cc2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c(C)c1[N+](=O)[O-] 16786228 MANQFZXUVZAXTC-OAHLLOKOSA-N 435.462 0.652 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 21200027 DJODIISOPGRHLN-UHFFFAOYSA-N 426.458 0.485 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 726076843 GQXJAPKJKFZFRL-ORAYPTAESA-N 427.571 0.997 50 20 ICGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 728180463 UTPOIGBFIBZWQU-MRXNPFEDSA-N 425.532 0.610 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 732051764 DWKBSXOKJJTWPU-SFHVURJKSA-N 434.562 0.948 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)c1cnn(-c2ccccc2)c1 733108283 FSOVAJAIAWTBJC-UHFFFAOYSA-N 436.384 0.967 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1C 734684895 BAQJBWBUIKDXTL-OALUTQOASA-N 433.553 0.808 50 20 ICGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117361 SNFGXQDQWFGOSJ-CYBMUJFWSA-N 435.554 0.615 50 20 ICGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Cc2cccc3ccccc23)CC1 737064959 LYGMAIGCDLWVFS-UHFFFAOYSA-N 425.489 0.794 50 20 ICGD COCCN1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 739034314 HPQVDENWUUWHKU-INIZCTEOSA-N 439.538 0.136 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 743831142 QKSHUSVBSZBWNA-UHFFFAOYSA-N 445.457 0.608 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)C2=O 744550768 BKLIEKFGADBVCR-ASSNKEHSSA-N 441.444 0.363 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NCCOCCS(C)(=O)=O)c1 745855190 QWSDQINUNYTCQG-UHFFFAOYSA-N 438.300 0.463 50 20 ICGD C[C@@H](Cc1ccncc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 749620220 LMHCMCUABVANIC-HNNXBMFYSA-N 433.538 0.670 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 751267303 OYWAKHXCYGBZFV-OAHLLOKOSA-N 426.378 0.439 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751268090 UGICJRCOVDTXPM-UHFFFAOYSA-N 440.425 0.489 50 20 ICGD Cn1c(O)nc2ccc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc21 751867120 NIOVZIYPYJZGAN-MRXNPFEDSA-N 426.385 0.423 50 20 ICGD Nc1cccc(C(=O)CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 753468920 HOENCOQGNCVMFP-GOSISDBHSA-N 427.413 0.762 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 755278159 YSVMRNDSQQFTBD-LBPRGKRZSA-N 436.450 0.109 50 20 ICGD O=C(NNC(=O)c1cccc(OC(F)F)c1)Nc1ccn(CC(=O)N2CCOCC2)n1 756657687 FJJXBPIVGRZRDU-UHFFFAOYSA-N 438.391 0.810 50 20 ICGD CCn1nc(C(=O)NNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c2ccccc2c1=O 757863696 UVYYZJFBWZRTRI-UHFFFAOYSA-N 448.443 0.767 50 20 ICGD Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758045546 OYWKWOHXEIJVNC-LBPRGKRZSA-N 443.485 0.393 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(c2ccccc2F)C1=O 761821637 RLDWVVUBHBANKV-MRXNPFEDSA-N 438.423 0.941 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@]34CCC(=O)N3CCS4)n[nH]2)cc1OC 763147439 HGPGLSOMBPOQER-LJQANCHMSA-N 431.474 0.920 50 20 ICGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 763462023 HVJJPKJVHQAWQM-UHFFFAOYSA-N 431.518 0.877 50 20 ICGD COc1ncc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(N)=O 763735484 OENIRGQYJLKFJY-UHFFFAOYSA-N 429.477 0.882 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 764138882 LDJATLPBBNOHSA-UHFFFAOYSA-N 427.396 0.447 50 20 ICGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)n1 764279666 BCAXPGHOMPRKGA-UHFFFAOYSA-N 439.270 0.313 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 764280774 SVZCVSNDLPUUBM-UHFFFAOYSA-N 437.412 0.213 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 764365866 GBFDSXOAQNJBQP-UHFFFAOYSA-N 426.351 0.713 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 765310146 AYBNYEPGYBKRQI-CQSZACIVSA-N 427.483 0.169 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 765310955 OKDFKUCKTWJHGX-UHFFFAOYSA-N 433.465 0.804 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 771888354 MFKNBJFRFGPLFP-MCIONIFRSA-N 441.506 0.587 50 20 ICGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)c1cncc(NC(C)=O)c1 773074021 VDVNVHKKTKFFRB-UHFFFAOYSA-N 430.812 0.753 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nc(C)cc(C)n3)cc2)CC1 773479647 BFBUFARBWMZYMM-UHFFFAOYSA-N 439.520 0.882 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 776078024 SGVMLAVYIKKYDY-BEFAXECRSA-N 425.507 0.749 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ncccc3C(F)(F)F)cnc2n(C)c1=O 783112871 SNFJDGGGCOPYHP-UHFFFAOYSA-N 437.338 0.128 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cncc(Cl)n3)cc2)CC1 783259748 LMJSYSIYLLNLGF-UHFFFAOYSA-N 447.883 0.507 50 20 ICGD O=C(NNc1c(F)cc(C(=O)NC2CC2)cc1F)C(=O)Nc1cccc(-n2cnnn2)c1 785103858 ILXFHAJJVBBUGH-UHFFFAOYSA-N 442.386 0.915 50 20 ICGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 789858200 QYKBCQJLUJSZDL-UHFFFAOYSA-N 444.460 0.135 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nc4ccccn4n3)c2)CC1 791247925 DSOOGSSOOQGWGW-UHFFFAOYSA-N 443.489 0.339 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 792355373 GWZRQTVIYBKHHZ-KRWDZBQOSA-N 427.461 0.726 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792628336 HAWFPTVPBFOWPU-GOSISDBHSA-N 442.394 0.886 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCn1c(=O)nc(O)c2ccccc21 795161407 OHQPQVWSDZQRLU-UHFFFAOYSA-N 431.474 0.886 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 796991292 CEMDYUSMBFFAPY-UHFFFAOYSA-N 430.348 0.911 50 20 ICGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797369949 RKFOCMBWDCTAPA-UHFFFAOYSA-N 441.444 0.449 50 20 ICGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 798835810 TUFVLNPHSSQFDE-GOSISDBHSA-N 435.444 0.737 50 20 ICGD CN(NC(=O)N=c1ccnc2n(C)[nH]cc1-2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 806487226 UZQXDYOGZSMHPQ-UHFFFAOYSA-N 432.485 0.983 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977590 PZGGRONGUHJJCO-HUUCEWRRSA-N 440.456 0.395 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)nc1 807528299 MFGUZNNSYAKILF-ZDUSSCGKSA-N 448.571 0.209 50 20 ICGD COc1ccc(CC(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)c1OC 814785048 LYCSKCGLQOVOHG-UHFFFAOYSA-N 435.506 0.632 50 20 ICGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)c3cc(C)[nH]n3)c2)ccn1 815567938 QLWNELJNJHXNJW-UHFFFAOYSA-N 437.416 0.665 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)C1 815778872 ITPGLMBZJJYISZ-CZUORRHYSA-N 438.506 0.372 50 20 ICGD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 915906067 GQRHMXOUZVBAHX-OAHLLOKOSA-N 431.449 0.412 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCC(=O)NC3)c2)cc1 916095809 ZSJPZABJKAXPLW-CQSZACIVSA-N 446.485 0.783 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)nc2ccccc21 916254097 YDCYJBRLKHOQBC-UHFFFAOYSA-N 436.538 0.698 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)cc1 917178898 XUFBILLNHVTSBZ-UHFFFAOYSA-N 433.428 0.406 50 20 ICGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 1322078154 XTMRBWHQXOOFJT-UHFFFAOYSA-N 446.529 0.601 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)c2C1 1326009531 FQOLBZOWJOIFHI-CQSZACIVSA-N 434.522 0.589 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1779029383 QXLBIISMWSFWJI-HXUWFJFHSA-N 442.501 0.126 50 20 ICGD CCc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779031483 ASLOENDABABUAS-HXUWFJFHSA-N 444.517 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781586306 KRQSTFMKJQAGHJ-FQEVSTJZSA-N 442.438 0.920 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783828256 WCAZEYHZDBKPOT-QFNDMJOZSA-N 431.493 0.566 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C[C@@H]21)[C@H](O)CCl 1784091743 AGHJURWKWKIOKN-QHNLCMDKSA-N 437.924 0.829 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979510 RMHPWVTUMMGJFX-BVSLBCMMSA-N 432.285 0.011 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3ccnnc3O)CCC2)cc1)c1cccc(B(O)O)c1 1788148038 XWFHDSDIQAPZKJ-UHFFFAOYSA-N 432.245 0.924 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1791255444 RPWJRAPUOUGHHJ-FEHPVLGDSA-N 431.917 0.749 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]21 1791292995 DXADQSRCXRCFNM-IHPCNDPISA-N 446.548 0.678 50 20 ICGD CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)CC1 1792871908 CSCFEJZGUGCCSH-FQUUOJAGSA-N 431.327 0.950 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1Cc3ccccc3C1)C2)c1ccc(B(O)O)cc1 1795736822 JDDJXYKVUYMFLK-RUMRUAAYSA-N 448.328 0.375 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795961868 GKBIAYFCZZEOBV-WISYIIOYSA-N 426.248 0.380 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)c1)C2 1796441428 IGVZOHJVZJHEJV-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc2ccccc12 1796772978 LESQZLHMDLGLFN-FAQVEIGNSA-N 445.284 0.432 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)[nH]1)C2 1801011260 FBUPMGPVCMJNKD-DPIQGUFMSA-N 445.442 0.610 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)n1ccnn1 1801335838 FVHORPZMGOMXRG-CJDYHMCNSA-N 426.481 0.611 50 20 ICGD CN1CCC(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)CC1 1802572153 AEFPELNKULOGEM-KNQAVFIVSA-N 444.580 0.802 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccns1 1805217405 FYAUWKUMXOQIEQ-VQIMIIECSA-N 436.302 0.851 50 20 ICGD C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCCN1 1807372591 GXVPDSHKNXZBAM-QMHWCDLVSA-N 436.321 0.223 50 20 ICGD O=C(c1cnc(Cl)nc1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968507 ZTWWDCLQBXQSDC-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C(=O)C2CC2)[C@H]1c1cccnc1 1810294025 HMVWSLKFXHZJEN-QAPCUYQASA-N 436.472 0.379 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813070517 JQWDIWNTFAMPOZ-FQELHTAISA-N 446.552 0.327 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C2=COCC2)[C@H]1c1cccnc1 1813589391 DECYJXGFNOVVKK-HNAYVOBHSA-N 436.472 0.704 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CCC1 1814049458 DHHWKSLNGFSSGG-QUCCMNQESA-N 432.289 0.775 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479433 MQWYIJHZRITIQO-ZBFHGGJFSA-N 434.689 0.649 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C\C(=O)NC2CC2)n[nH]1 1819273115 ITQZVMARDARFCF-QWGSZXSUSA-N 445.524 0.610 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819709461 JGNNSULFZXRJGU-PBHICJAKSA-N 443.334 0.622 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050793 YNGGPXZGWGOYIN-KXBFYZLASA-N 429.326 0.111 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827560601 WDKOLXSEJIWUSL-RBUKOAKNSA-N 444.341 0.047 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)C3CC(=O)C3)sc2C1 1828066194 OPQURJHMXCOTLA-JTQLQIEISA-N 428.474 0.347 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\C(=O)NC2CC2)CC1 1828795462 NRGLZDDNOFQXRD-POGDKVGISA-N 447.580 0.814 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1833215818 BRHBTEDRZRMZJB-UHFFFAOYSA-N 447.020 0.110 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398695 QBQJMSDUWLPIQO-QZTJIDSGSA-N 438.352 0.011 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837318857 CPRQFXFFYIGCKP-NHYWBVRUSA-N 430.807 0.566 50 20 ICGD O=C1Nc2ccccc2/C1=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837321498 OGYBFPWRBJUNMX-HBMHQDMWSA-N 449.891 0.078 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)n[nH]1 1837583300 LUILQGLFRSVHKZ-ACJLOTCBSA-N 443.342 0.748 50 20 ICGD O=C(c1cc(F)cnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837852055 MUZUYDFQENTBAL-GUYCJALGSA-N 436.267 0.544 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)c(O)n1 1838674587 MSDAIJHDMUJXDA-SCLBCKFNSA-N 442.310 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952654 DIHGHODZMRTVIL-QFIPXVFZSA-N 443.504 0.001 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839145820 QYDDCSVVLBIOGF-KSSFIOAISA-N 426.857 0.262 50 20 ICGD O=C(c1ccc(=O)oc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198239 XMJSOHSMHABIRE-CZUORRHYSA-N 433.230 0.400 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199510 PFTFCSPKULOGIH-WMLDXEAASA-N 447.305 0.972 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839963802 WSAHWGSMFCPBEU-RHSMWYFYSA-N 427.299 0.720 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840456516 UNVULKCOMJNESQ-GOSISDBHSA-N 441.326 0.651 50 20 ICGD O=C(CCc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840458211 RRYISVVYOCWGIW-NVXWUHKLSA-N 445.289 0.556 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466513 LIQQMIHWVVSVAI-GUYCJALGSA-N 429.315 0.202 50 20 ICGD CC(C)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1841871997 JTHUVSSXZSGURL-UHFFFAOYSA-N 428.537 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)C1 1846183723 VDXVVEFQILLRKI-HJPURHCSSA-N 439.516 0.473 50 20 ICGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 17191577 VAHPPAGOIKSSGQ-ZDUSSCGKSA-N 435.440 0.756 50 20 ICGD COc1cc(F)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1OC 23144124 SUOCYDGYTUFXFS-UHFFFAOYSA-N 446.482 0.759 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2SCC(N)=O)c1 24399140 PTHURFUELFJOBE-UHFFFAOYSA-N 436.515 0.589 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc(SCC(N)=O)s2)cc1OC 26107349 SFLIGNPVJPVYRT-UHFFFAOYSA-N 443.532 0.686 50 20 ICGD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NNC(=O)CNC(=O)c1ccco1 725741465 RIEBQPXMQVSNDS-UHFFFAOYSA-N 444.473 0.613 50 20 ICGD COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCCC1 728177291 YOZZVWOABIGXIS-HNNXBMFYSA-N 445.563 0.586 50 20 ICGD O=C(COC(=O)c1csc(-c2ncccn2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 728330721 WHCLLZCVJPQZJA-AWEZNQCLSA-N 441.425 0.744 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)C1 728382056 CNBSNJUBTYWNEB-HIFRSBDPSA-N 443.547 0.303 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2ccccn2)C1 729396776 AHEAZUFFWXVRQY-HOTGVXAUSA-N 438.488 0.363 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 732259252 BDUULWCLVWVFTQ-HUUCEWRRSA-N 437.522 0.139 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241426 DQVKLMHGPYCCED-ZDUSSCGKSA-N 435.547 0.436 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccccc2-n2cccn2)CC1 735116868 IYAMBJOTZTZROD-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741284138 OEPHZRJPJOPZLC-UHFFFAOYSA-N 435.481 0.334 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)cc1 744385112 UEUJFFGLIZOJNH-UHFFFAOYSA-N 426.521 0.339 50 20 ICGD Cc1cccc2c(=O)n(CCC(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cnc12 744527972 BEQPWOBCRAFIGT-UHFFFAOYSA-N 433.424 0.971 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 744910983 RBGITGKLQCQFHC-UHFFFAOYSA-N 445.906 0.993 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 746091597 FBXRSEZRBWHWKR-UHFFFAOYSA-N 429.433 0.973 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)NCc1ccco1 750715627 GKMIQHGZIRCBGH-JTQLQIEISA-N 447.516 0.015 50 20 ICGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)CNC(=O)c1cccs1 751207105 ZQOCRHBANSXNBY-UHFFFAOYSA-N 435.527 0.978 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CNC(=O)c3cccs3)c(C)n2n1 751208473 DRKIVAQREJBOSR-UHFFFAOYSA-N 433.519 0.644 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 751212629 VHNCVOUUVUGMEC-NSHDSACASA-N 442.544 0.540 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)c1cncc(C(=O)NNC(=O)c2ncccc2C)c1 752632619 WDFJGPFELCIYRK-UHFFFAOYSA-N 433.428 0.638 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)[C@@H](C)O)cc1 754554115 UUYTTYDFLJSLTQ-FZKQIMNGSA-N 430.486 0.965 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1cc(-n2cnnn2)ccc1F 756335411 GJOUGHQOFUZUDX-UHFFFAOYSA-N 426.416 0.661 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 756851896 VBIWSYPCMLPHRI-MRVPVSSYSA-N 426.430 0.844 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 758031603 WZSMJDOPWQIBKD-CHWSQXEVSA-N 434.559 0.745 50 20 ICGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 760512549 VHTYBXYJMBGJCQ-UHFFFAOYSA-N 432.252 0.790 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)cc1OC 761214463 XICIAESTYIEREF-UHFFFAOYSA-N 426.381 0.788 50 20 ICGD CC[C@H](C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 763042873 CWOHECVCZJZCJV-GUYCJALGSA-N 432.502 0.794 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccccc2O)cccc1S(=O)(=O)NC1CC1 763529559 KIFIYEFQCSCWCG-UHFFFAOYSA-N 432.458 0.541 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 763551593 QMRKMESCRMNDEE-UHFFFAOYSA-N 435.400 0.803 50 20 ICGD CC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 763804048 JVPOEWAZNLYXML-UHFFFAOYSA-N 429.389 0.742 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1S(N)(=O)=O 763857244 LKIDBHJJSGTFMD-UHFFFAOYSA-N 443.485 0.706 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2O)cc1 764288510 IYCFRECJXPCLFO-UHFFFAOYSA-N 427.461 0.611 50 20 ICGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C[C@@H]1CCCO1 764344942 MFUUCNBADUMLOI-HNNXBMFYSA-N 435.481 0.375 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnn3C(C)C)CC2)cc1 766636138 KDGMJSNPSVYNER-UHFFFAOYSA-N 448.549 0.540 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767277805 OKMIQHHXROIVHT-UHFFFAOYSA-N 443.481 0.453 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 772897465 IIRXWKFUICPGJO-UHFFFAOYSA-N 443.807 0.906 50 20 ICGD COc1ccc(O)c(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 775669749 NIEBPHZKZXWPQB-UHFFFAOYSA-N 435.867 0.325 50 20 ICGD CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778443468 SQHNVHSWKMDFHT-LBPRGKRZSA-N 443.526 0.652 50 20 ICGD COc1ccc2nc(NNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)c(C)cc2c1 778479280 UBPQOCPOYYJJHQ-UHFFFAOYSA-N 437.460 0.832 50 20 ICGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)c3ccccc3O)ccc21 778706598 XKOPSYHCCMHJAA-UHFFFAOYSA-N 426.429 0.718 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCS(=O)(=O)C1 783426014 LEIZJYNYROCQSH-SFHVURJKSA-N 426.564 0.372 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)ncn1 783940412 UIRUBAOFYKUURM-UHFFFAOYSA-N 437.460 0.680 50 20 ICGD O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C(=O)Nc1ccccc1Cn1cncn1 789810942 AQULSFUAEFKHHU-HKUYNNGSSA-N 434.456 0.985 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CCC1 792772545 KBQBBKYTBMPNGI-UHFFFAOYSA-N 431.540 0.199 50 20 ICGD Cn1nc(C(=O)NNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc2c1=O 794774100 CMHOVSITTOZLKS-ZDUSSCGKSA-N 445.476 0.721 50 20 ICGD Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)CC2)o1 796279741 NVEIFPFXEUIYQT-UHFFFAOYSA-N 436.428 0.947 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2cc([N+](=O)[O-])ccc2Br)c1 800618668 FFAZDODQWAELJW-UHFFFAOYSA-N 433.244 0.512 50 20 ICGD O=C(COC(=O)CCNC(=O)c1cccs1)NNC(=O)[C@H]1COc2ccccc2O1 804104113 BOIJILVRIDPRQW-CQSZACIVSA-N 433.442 0.399 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 812539316 CPRCRAAGEVTLQK-UHFFFAOYSA-N 432.458 0.918 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c2)CCN1 812979048 IMCCKKQEBCNWOZ-UHFFFAOYSA-N 448.483 0.428 50 20 ICGD COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1 815564262 DETPMWYAISLPOC-UHFFFAOYSA-N 434.430 0.722 50 20 ICGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)CC3CC3)ccc21 815568766 TUXBVPKMJQNHCY-UHFFFAOYSA-N 438.387 0.574 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2nc(N)nc(N(C)C)n2)c2ccccc2c1=O 816828917 UHJCIGZPJOOZKW-UHFFFAOYSA-N 439.480 0.495 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054126 UPIGOEQDIGYBNK-HNNXBMFYSA-N 444.521 0.668 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NC2CCCCC2)cc1 913450826 BUNZRKUXGHQJLY-UHFFFAOYSA-N 425.511 0.977 50 20 ICGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915617057 VNMLBFGHRHJMFG-UHFFFAOYSA-N 436.490 0.161 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCC(=O)NC2CC2)c1 916577483 DHTGOGZEORYQOO-UHFFFAOYSA-N 439.538 0.720 50 20 ICGD NC(=O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 917359518 ASRKTDLLJUUNJL-UHFFFAOYSA-N 441.263 0.496 50 20 ICGD Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919960734 FGMLALFBLUEVSF-JTQLQIEISA-N 426.314 0.437 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779067992 ICOGKJHZVRPDIN-PBHICJAKSA-N 449.298 0.096 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782567910 KPWZUGLZXDYXEJ-CNVJLJKISA-N 425.913 0.963 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)CCO2)C1 1783874049 CAHDESVFWACFPW-MGPUTAFESA-N 445.944 0.937 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1783876793 AOHQOINURUZRER-VLIAUNLRSA-N 437.880 0.715 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783939515 GQDAFFYYGDLXRR-GTNSWQLSSA-N 440.324 0.506 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784814748 DQCPALXDIFDXHH-QMHWVQJVSA-N 445.944 0.575 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1786407287 NKSKSJWNVWJWDJ-AVGNSLFASA-N 443.298 0.326 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncoc3C)C[C@@H]21 1787508859 WXMBUDYICDQPPG-OTTMNBPASA-N 442.476 0.710 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C(C)(C)C)nn3)[C@H]2C1 1789356618 CWXNHVBTHAKWIV-YXWQFLTLSA-N 427.933 0.880 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc(OC)c3OC)[C@H]2C1 1789414060 UIIZXDZLVRJGBD-AYDFFVQHSA-N 441.912 0.946 50 20 ICGD N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1789509523 ZHBHCLUTJPXKGC-VDGAXYAQSA-N 448.483 0.464 50 20 ICGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)c1ccccn1 1789922429 JQWARKBNZWNCHD-IXDBCEGASA-N 429.290 0.752 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1790963982 QNYZTQSHGMBKAL-AJNGGQMLSA-N 428.331 0.821 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791057989 UDKBPFBJLFPIBX-RCWTZXSCSA-N 430.259 0.695 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1791252424 LMPSBXRYVSIBJI-XQLPTFJDSA-N 443.953 0.711 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNc4ccccc43)C[C@@H]21 1791289254 QJMLFQVVJVHHOD-CAIZAGQASA-N 443.548 0.548 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@]3(F)CCCC=C3F)[C@H]2C1 1792324996 KQGDLRZZXAXIBD-JVGYHMDPSA-N 448.275 0.705 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792696952 DTPQIACEVNCISI-YALNPMBYSA-N 444.937 0.547 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Cl)ccc3c1OCO3)C2)[C@@H](O)CCl 1792978523 YNOKBPAQQBLGTP-HOZXKAFVSA-N 431.272 0.872 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)C1 1793242381 NZAPBNRCKGVDQZ-QRJUGERDSA-N 445.944 0.860 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 1793897605 DGYYIMJSLUFKQG-YYAJDYIMSA-N 441.981 0.950 50 20 ICGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(F)c1 1796190713 CBPDZFXPLDXRPY-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891615 ADZDOJUAUZORTG-JWBKOJIWSA-N 447.565 0.243 50 20 ICGD C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754498 ZZJIZJSTTSEZOI-BKEDOTJMSA-N 441.488 0.360 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccccn13)C2 1798440259 HIRUFPSQAWALAC-QDMKHBRRSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c(F)cccc1Cl 1798805914 CQSWGVXHNWKXAV-HBCWATKFSA-N 446.671 0.676 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1N(C)C 1799206235 YFINZAFYMQUNAZ-CXHZTBPHSA-N 425.913 0.564 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)[C@@H](F)Br 1799349344 XEKCZRKCLGDXIM-RBLKWDMZSA-N 444.286 0.980 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799349817 LLGTUQQAUIQNHJ-CVNCSBKSSA-N 430.278 0.557 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H](O)Cc1ccccc1 1800636390 XAYADGMLMQOQIK-QRJUGERDSA-N 429.286 0.870 50 20 ICGD C/C(=C\c1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801352135 YZASYXWUJVPPKG-QIVXJAGTSA-N 435.289 0.068 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360818 DBJODOVUOUTKMU-GCJKJVERSA-N 447.304 0.437 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364121 PCIMVMUSBVMXKE-HGWQEYRNSA-N 438.337 0.454 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)on1 1807369504 MMMJJSHFUIKWTD-XLIONFOSSA-N 434.261 0.691 50 20 ICGD Cc1nccc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1808767108 HKBYMHIGUREFIX-UTKZUKDTSA-N 439.520 0.873 50 20 ICGD CNc1nsnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1814435017 SUPPIRAOULKQTG-GFCCVEGCSA-N 449.541 0.982 50 20 ICGD C[C@@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814916149 NITLYPJXUMBGFK-UWVGGRQHSA-N 443.371 0.926 50 20 ICGD CN1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793023 HNCOYOLBNJXTFL-ABAIWWIYSA-N 443.533 0.462 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)o1 1822413765 AMXFIODZQSCBJX-CQSZACIVSA-N 432.485 0.709 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n[nH]1 1829011468 GDKMDWSWWOBSDR-NRFANRHFSA-N 438.337 0.874 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831968205 UKNUFEZBPCDUAU-SCLBCKFNSA-N 433.839 0.684 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832877920 NUGQOCPFIABNEO-FOIQADDNSA-N 440.928 0.608 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833884470 HQYSXNSPNSVLJA-MAUKXSAKSA-N 425.961 0.691 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Br)CC3)CC2)N1 1836412312 DHGDQEWGPRTXJM-DZGCQCFKSA-N 433.322 0.527 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717082 HBAQTCZPRREJLB-CZUORRHYSA-N 432.949 0.292 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1837459522 HJGCXRYYWJDVRE-KSFYIVLOSA-N 443.504 0.111 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1C 1837715354 LWIGIMMUJFFOFN-HXUWFJFHSA-N 438.601 0.904 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838701828 UHUAGICEMHKQGA-AUUYWEPGSA-N 428.917 0.857 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1839146789 WMXLGDREFRGWPB-IFXJQAMLSA-N 425.869 0.898 50 20 ICGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152057 MFBHTPKIIPUGNM-IAGOWNOFSA-N 435.308 0.872 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839200182 HISYKBAFJDIVSH-GOEBONIOSA-N 433.278 0.408 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840030098 ADWRTKJMCLLBIY-SJCJKPOMSA-N 434.331 0.141 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032900 NBYQLOZOTTWWBJ-BONVTDFDSA-N 433.328 0.700 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1840151297 ZUCNQHREOOICPF-KUHUBIRLSA-N 429.876 0.853 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1840151299 ZUCNQHREOOICPF-LIRRHRJNSA-N 429.876 0.853 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CCO2 1840531480 BEFBEMYQAMQAAE-SPEDKVCISA-N 438.569 0.642 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842947486 HNZCXAVMDHPDII-AAKUMTKESA-N 431.443 0.668 50 20 ICGD CC(C)COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccn1 1843013728 GBVNWWQYSLIXRQ-UHFFFAOYSA-N 437.305 0.927 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038225 GWHQYJCNGHFHCZ-FXAWDEMLSA-N 445.564 0.943 50 20 ICGD CCOc1cccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1O 1845491248 WJURPSSTDNNITB-UHFFFAOYSA-N 439.472 0.920 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039194 VZISXCPJXWCVQQ-SOFGYWHQSA-N 438.245 0.014 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@](C)(O)C(F)(F)F 1847989665 BSWUVENSHSUXEG-XMQFCULGSA-N 429.399 0.636 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 21445558 XLYBPAGRYITJHP-UHFFFAOYSA-N 449.895 0.971 50 20 ICGD Cc1ccc(OCC(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 725872517 YFWIMGLGYRAQAD-UHFFFAOYSA-N 443.460 0.282 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)c2n[nH]c3ccccc23)c1 728067391 LTCQGTLQSIMIIS-UHFFFAOYSA-N 429.458 0.548 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)n(C)c2)C1 730161451 GCQLBPAQAWHHFV-CABCVRRESA-N 446.595 0.552 50 20 ICGD O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 734677585 XRWRJIOBHNCAPG-MRXNPFEDSA-N 440.522 0.611 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC 734806822 KXDWMOSTGKBQMK-UHFFFAOYSA-N 428.488 0.872 50 20 ICGD Cc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 735116900 KNWZONCWYDVYRM-UHFFFAOYSA-N 434.478 0.991 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1Cl 742028428 LIDJRDKDQCKAEN-SSDOTTSWSA-N 432.307 0.682 50 20 ICGD COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC(C)C)c2)cc1 744440061 QIPRZAWWBVIXJG-UHFFFAOYSA-N 448.501 0.806 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 748011768 ZLLMQEFTNSQYBL-NRFANRHFSA-N 426.429 0.980 50 20 ICGD Cn1c(NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O 752909612 XHOASJIEDVTXNG-UHFFFAOYSA-N 443.485 0.711 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccc(F)cc3)C2)nc1 753284276 QFXGBIAOSOTYBW-UHFFFAOYSA-N 431.424 0.995 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c2ccccc2n1 754777706 PATIOPTVPDSMLV-CYBMUJFWSA-N 443.485 0.470 50 20 ICGD O=C(CN(CC(=O)NNc1ncc(F)cn1)Cc1ccccc1)NNc1ncc(F)cn1 755637742 IFDWDOMWQGPYQO-UHFFFAOYSA-N 443.418 0.633 50 20 ICGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 761690058 YZJMRKHWLMEQNH-UHFFFAOYSA-N 428.470 0.615 50 20 ICGD Cc1noc2ncc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)cc12 763205973 KNYHELBNYYIJFG-UHFFFAOYSA-N 439.313 0.520 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1C 763847299 ANAMRQSIABGKRU-GFCCVEGCSA-N 438.444 0.832 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1 763860453 HGEIYNCZZKUIDZ-CYBMUJFWSA-N 428.445 0.667 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 763944006 JOLPYNPGQXWVEY-UHFFFAOYSA-N 448.439 0.870 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CC2CC2)c(OC)c1OC 764143000 DXUKOUZDVHBKBE-UHFFFAOYSA-N 431.449 0.843 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 764225574 AKDONNLPZUAGBP-NSHDSACASA-N 440.478 0.142 50 20 ICGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 764336091 XSDFUWNAAZTXMW-VIFPVBQESA-N 442.448 0.401 50 20 ICGD Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427368 YZIHJDMWQHASQJ-SJORKVTESA-N 427.461 0.619 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n(-c2cccc(C(F)(F)F)c2)n1 764430349 WBUMANGUDKIDLV-CYBMUJFWSA-N 441.366 0.701 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 764517178 ZYCLDGDLMLHTMK-UHFFFAOYSA-N 442.476 0.384 50 20 ICGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 766306751 GDXAXIGUZNWHAH-UHFFFAOYSA-N 427.822 0.556 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1(C(=O)NC2CC2)CCC1 766645219 ZGXRLMHZSSRPJS-UHFFFAOYSA-N 427.505 0.041 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=S)Nc3ccccn3)C2=O)cc1 768577991 IFHHKHHXWDQJNV-LJQANCHMSA-N 428.474 0.875 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)nc21 770974448 LJOVSMHOUOSFSJ-VIFPVBQESA-N 432.422 0.787 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)n[nH]1 771271820 HRPPRJDFKSQGMC-KRWDZBQOSA-N 449.265 0.709 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 771953699 OIBIWPRXTUUFOD-NSHDSACASA-N 447.460 0.855 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)nn1-c1ccccc1 772904370 GTCGAOAEKKNLSG-UHFFFAOYSA-N 440.847 0.702 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C)c(F)c1)CC2 773888001 DKJPAMZSOZNFMJ-UHFFFAOYSA-N 434.449 0.393 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 778436601 MIIBGHJVNUVNFJ-UHFFFAOYSA-N 434.493 0.976 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 778720358 AMKZBYYZVUIQDY-UHFFFAOYSA-N 445.498 0.292 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 782898029 WVNVIMYSAHSZTG-UHFFFAOYSA-N 449.537 0.930 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)nc1 783264852 SFGUQRJCWPQRAU-UHFFFAOYSA-N 448.461 0.181 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1cc(C)nc(C)n1 783326571 IUSDZBBPUNPHSD-UHFFFAOYSA-N 428.449 0.798 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n(-c2cccc(Cl)c2)n1 783423746 AGUKAUOLXFTATH-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 783423949 BSCRHVUGKNPKGC-INIZCTEOSA-N 433.870 0.028 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n1 783426795 KLDHOYZKFUUTTJ-IBGZPJMESA-N 449.489 0.186 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 784003514 XWAKHOCZFNTZGQ-UHFFFAOYSA-N 440.338 0.464 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 784005396 YVTMGXNNCBVSML-HNNXBMFYSA-N 446.485 0.822 50 20 ICGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)NC(=O)OC(C)(C)C 792256425 HPHQSVXAWXTDJH-LBPRGKRZSA-N 443.526 0.794 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1 796990215 OZDWGKNHCRUIGO-UHFFFAOYSA-N 444.444 0.990 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 797368494 BGWULIDAJQVMHW-UHFFFAOYSA-N 425.401 0.194 50 20 ICGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1 797630721 NVPWAOQRGCSVRT-UHFFFAOYSA-N 438.466 0.007 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCc4nnn(C)c4C3)n[nH]2)cc1OC 810583540 BNTUQOULAWANJO-LBPRGKRZSA-N 425.449 0.789 50 20 ICGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815692873 DSLHWCFJIJGFHP-XTXQVDMPSA-N 426.433 0.203 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 849207788 RGBZHVRPVXITMZ-ZDUSSCGKSA-N 430.373 0.541 50 20 ICGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)COc2ccc(OC)cc2)s1 916232777 LSHKNMUIQQGELK-UHFFFAOYSA-N 428.492 0.574 50 20 ICGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 917915241 HLWFATMZLLLALN-UHFFFAOYSA-N 433.421 0.848 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1Br 919886126 VAWJZTDEFHPKMW-SECBINFHSA-N 436.284 0.597 50 20 ICGD CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 1317988845 XDJLSNAMPSRRMI-SNVBAGLBSA-N 445.544 0.972 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)no1 1779371214 SFPSARXFSHRXPO-DYESRHJHSA-N 442.476 0.423 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783340931 AEVGBKNYOMGVIB-YJBOKZPZSA-N 432.359 0.712 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878915 KHVMYJDARCZGRI-ZXJYCPGTSA-N 447.919 0.980 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1783965373 KAODVCGSKNTKKB-BLFANLJRSA-N 443.298 0.512 50 20 ICGD CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1783984608 ODTQTXREIYTWKX-CKFHNAJUSA-N 433.933 0.983 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784644381 ZVYKAWZLTGVCGX-XUXIUFHCSA-N 436.322 0.819 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1785511216 DWPNCQWTLRXGGU-RTEYEHBSSA-N 445.944 0.719 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21 1787507065 HQHXLRZSVYKJFE-IAKWRSPOSA-N 445.520 0.669 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]nc3C)C[C@@H]21 1787508680 NXEMJCNFZDLPAH-RAKJEAAFSA-N 441.492 0.445 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c4cnccc34)[C@H]2C1 1788456814 IOIDLCVCAHVSAN-FNHZYXHNSA-N 442.520 0.529 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3cnccn3)[C@H]2C1 1788630561 UTKANBJDEGQLOC-GVRJEKJASA-N 425.917 0.511 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789360224 AKXVXQGOKDNKSO-MMWGEVLESA-N 439.822 0.671 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921537 NXOJOFVKXJFCMH-QNWJLWSRSA-N 443.335 0.337 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 1791252117 CTJVLWHCDNAZQZ-AJNGGQMLSA-N 426.901 0.234 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 1791289101 KCIBRYPUZGHTGY-WDSOQIARSA-N 434.512 0.721 50 20 ICGD CC(C)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCC1 1791842902 TWPCSXZZXKFEFO-IHPCNDPISA-N 428.338 0.786 50 20 ICGD CN(CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(=O)OC(C)(C)C 1792984129 YXLLORFQYHUNHO-JYYAWHABSA-N 447.960 0.823 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2ccccc2[C@@H]1O)c1cccc(B(O)O)c1 1793181547 WYVISKGASVEGHB-QWCYLASJSA-N 448.328 0.914 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794119611 KTTRSIDJRIVXHW-MCYUEQNJSA-N 444.351 0.851 50 20 ICGD Cc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794627534 IKHCUNHEOJKVFW-YWVIFJGQSA-N 429.502 0.572 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccnc2)c1 1794772608 BGDXESRMEVSFEK-BCDXTJNWSA-N 439.520 0.892 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1nc(C)no1)C2 1796892317 WMSNTWKQMVMPPB-LSOZKBPJSA-N 427.465 0.693 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)COC2 1797016063 JCYPTWIKPRUSDK-RMFSNUHRSA-N 430.505 0.293 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(F)cc12 1797480994 QYRUPCVZAIFMKG-DBWKPXFBSA-N 446.483 0.278 50 20 ICGD NC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)c1ccccc1 1798439223 PWGQMWOXTVLJKT-ZMMAXQRCSA-N 436.516 0.679 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1nc2ccc(F)cn2n1 1800134488 XMMKHIKOVYKQIR-OTMMVIPVSA-N 444.236 0.762 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1800759407 NGCZWPNBLABSJV-NRWUCQMLSA-N 441.326 0.912 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H](C(=O)OC)C1 1800968291 XVCFPSWOVQCQTC-LTAJLKHCSA-N 430.929 0.809 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801916631 XBRZQTBBGQLESS-XMTFNYHQSA-N 437.924 0.845 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]3c3cccnc3)CC2)CC1 1803141861 UUGHEORJPZDUAZ-GUDVDZBRSA-N 449.983 0.467 50 20 ICGD Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803820336 MFOQTHJXPKPWJX-RXVVDRJESA-N 447.304 0.437 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1806758974 UDDYQGXWMUSLCV-ZDUSSCGKSA-N 433.933 0.660 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1807374738 ILOXDXGDDOOUBS-SKBHOOIQSA-N 437.305 0.649 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976900 WFPZLTKACCRKNU-UHFFFAOYSA-N 442.350 0.872 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)c1ccc(B(O)O)cc1 1817472101 IDCJANZFPMGMSE-CQSZACIVSA-N 425.210 0.403 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2)[nH]n1 1819401919 FZINMUZLOOFFTM-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822434449 WRGIZQWGQZGHBH-IRXDYDNUSA-N 446.338 0.509 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](F)Br)sc2C1 1823004151 QCUNIXJYXXFPNV-HFJPGXAFSA-N 436.307 0.338 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)CC1 1824186625 PEXBWYMBQNLVMT-RBUKOAKNSA-N 442.988 0.370 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cc2cnccn2)CC1 1824304284 SBJHCISDGUDCGO-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](F)Cl)C2)C1 1828523386 NWIULEVRPYWKOT-IFXJQAMLSA-N 443.859 0.284 50 20 ICGD N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828803223 LCCCWODRMGBTBO-LAUBAEHRSA-N 448.907 0.952 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1830242047 QONIMTDJBFIUQZ-UHOSZYNNSA-N 429.005 0.842 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1830534051 WAKJURLWWFNAHI-BXWFABGCSA-N 446.386 0.958 50 20 ICGD O=C(CCCCn1cccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731784 PKXYULXBFZEXGS-FXAWDEMLSA-N 427.929 0.715 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3c(O)cc(O)cc3O)CC2)CC1)[C@H](O)CCl 1833313979 XQOCDCAYNDVEOV-QGZVFWFLSA-N 441.912 0.588 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccsc1 1834119026 DNMRJLRICIPKNZ-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CN(C)C)CC2)CC1 1834464892 SLZSRQJJSVCPSX-PCLIKHOPSA-N 445.568 0.254 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccncc3)CC2)CC1)c1cccc(B(O)O)c1 1834801311 ZWIHGCIXSGKTHQ-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823314 NKRIKEXMCDBQCW-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412805 WKNPYIVTAOSGSS-MRXNPFEDSA-N 438.338 0.912 50 20 ICGD O=C(CC(F)(F)C(=O)O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718303 UTZHYHAKLHGIQO-ZDUSSCGKSA-N 426.844 0.695 50 20 ICGD C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395507 XRYYGQWMJJHVBF-CYBMUJFWSA-N 435.550 0.616 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cn1 1840150194 HBLAPVSZUUBPPP-YLJYHZDGSA-N 425.913 0.968 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841558067 MITUODSHKIFCPF-IBGZPJMESA-N 448.483 0.695 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2ccc3c(c2)OCO3)C1 1842751889 YRXJAIQNGSWWMM-UHFFFAOYSA-N 437.456 0.474 50 20 ICGD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C(F)(F)F)o1 1843391951 OIBRSDGZMOPNEV-UHFFFAOYSA-N 437.183 0.812 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1844264086 CBYDCBOIJXFJBI-UHFFFAOYSA-N 449.471 0.096 50 20 ICGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)c([N+](=O)[O-])c1 1845535425 BJRRWNAMMGJIEM-CQSZACIVSA-N 425.825 0.798 50 20 ICGD COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1846349628 CAHNDZUXRWQGAL-CABCVRRESA-N 443.504 0.482 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 1847057720 MSNCTZSRCJJMBI-DHZHZOJOSA-N 435.245 0.805 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 21291286 AYWYXLNAGRMGRD-UHFFFAOYSA-N 429.418 0.779 50 20 ICGD Cc1noc(C)c1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 21360029 CCTGBPQDMQYBLC-UHFFFAOYSA-N 436.490 0.706 50 20 ICGD Cc1cc(C)nc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 22235749 RZLYNPZZHHWSHU-OAHLLOKOSA-N 441.535 0.318 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn(C)c3)CC2)cc1 725909215 GPLQXOZAZRPLPK-UHFFFAOYSA-N 435.506 0.681 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728889756 PEQJXABEAUORLM-UHFFFAOYSA-N 425.493 0.648 50 20 ICGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 729511444 GSVBJOXDHIDARO-ZDUSSCGKSA-N 447.945 0.871 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 730031266 LILXLDGTVLDXFZ-UHFFFAOYSA-N 432.389 0.812 50 20 ICGD Cc1nc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nn1-c1ccccc1 731597030 QVOLDYJKXYLKKA-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)NC2CCC(C)CC2)cc1 731734789 YRZGIJCETRRGCM-UHFFFAOYSA-N 425.507 0.797 50 20 ICGD COc1ccc(C(=O)NNC(=S)NCCNS(C)(=O)=O)cc1Br 731949614 MQOHRUXRWOZEOL-UHFFFAOYSA-N 425.330 0.116 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241425 DQVKLMHGPYCCED-CYBMUJFWSA-N 435.547 0.436 50 20 ICGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1C 737765721 JVKUCLSDMUIGSX-CQSZACIVSA-N 439.472 0.786 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 740851861 ZJJUPISXOPIXTF-MRXNPFEDSA-N 438.550 0.681 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc1ccccc1F 742033281 KSSOVGDKYBLPPD-LLVKDONJSA-N 427.458 0.069 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)n1 747040373 AOZRIEPKYCBXKM-HNNXBMFYSA-N 427.527 0.807 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 752756875 WTNMKPSNFMMMIC-UHFFFAOYSA-N 426.333 0.680 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 759666257 VLAXNUQLDFLDOJ-UHFFFAOYSA-N 448.505 0.485 50 20 ICGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763719184 VZKSAEJGVIFGRN-UHFFFAOYSA-N 436.494 0.333 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 763731254 ABBLZMGXTZBKRP-UHFFFAOYSA-N 448.457 0.130 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763812150 DKNKECNMTMYEAO-UHFFFAOYSA-N 437.412 0.675 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)c2cccn2C)cc(OC)c(OC)c1OC 763992708 HJMUWHVSRPGMGJ-UHFFFAOYSA-N 448.432 0.627 50 20 ICGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc21 764035591 ZSNYMAFLHLGTTH-UHFFFAOYSA-N 431.474 0.546 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 764405124 PTNVHZCQWGSQIB-UHFFFAOYSA-N 426.458 0.910 50 20 ICGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 764565211 ZMPZEDBONPRJKL-QWHCGFSZSA-N 434.449 0.979 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 765388825 FJOUUENTNOPUTD-UHFFFAOYSA-N 432.481 0.635 50 20 ICGD Cc1nc(C)c(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(O)n1 765737646 HNDHOUCCUKYIPE-UHFFFAOYSA-N 440.504 0.337 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccnc3S)CC2)cc1 766637116 XPTUKZFWCLJVAC-UHFFFAOYSA-N 449.558 0.446 50 20 ICGD CCNC(=O)NC1(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CCCC1 766650326 SVJWRRWAGBTAMX-UHFFFAOYSA-N 444.580 0.892 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 768243884 HKKUTKFTBMFBLJ-UHFFFAOYSA-N 440.305 0.546 50 20 ICGD CC(C)(O)C(=O)NNC(=O)c1cc(I)ccc1N1CCOCC1 768248001 SKPVLQDABAOZOB-UHFFFAOYSA-N 433.246 0.660 50 20 ICGD COc1ccc(NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c([N+](=O)[O-])c1 768331613 ITRVRYKAQBNZBD-JTQLQIEISA-N 425.423 0.212 50 20 ICGD Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 769865529 OHPVGVNVJWRVIE-SNVBAGLBSA-N 426.314 0.437 50 20 ICGD CCOC(=O)COc1ccc(CCNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770398346 GVXYXDZEOJUORY-UHFFFAOYSA-N 429.437 0.880 50 20 ICGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 771433542 LBWIKEZOEYVHFY-HUUCEWRRSA-N 440.522 0.467 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 771964931 NZUQESLDYQQZCK-OLZOCXBDSA-N 430.483 0.181 50 20 ICGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 772885047 SZFSPHFHGCVBNF-UHFFFAOYSA-N 444.941 0.602 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1F 773249173 KVNYHKBWTRZIDH-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)N3CCN(C)CC3)CC2=O)cc1OC 773658993 QYYYRRPYFGPQIG-MRXNPFEDSA-N 433.509 0.083 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 773673409 NYFRCVOMKGOCOW-UHFFFAOYSA-N 448.343 0.301 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776052527 AMYCOQZBRJVTNO-CYBMUJFWSA-N 437.478 0.873 50 20 ICGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 782015938 XCIUGFSPPFCEBF-UHFFFAOYSA-N 426.448 0.922 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 782964931 DCUQGVGZBNTLMT-UHFFFAOYSA-N 439.259 0.603 50 20 ICGD COC(=O)Cc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1 783264378 ODZCQAKAUSNGHZ-UHFFFAOYSA-N 449.489 0.566 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 785061632 ZJXWWCDWQJSOSF-UHFFFAOYSA-N 436.428 0.615 50 20 ICGD N#Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 788480134 NAFRIPXTTKOUTE-SECBINFHSA-N 437.297 0.000 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NC3(C)CC3)CC2)cc1 789273359 LBASKEUOLAUWAT-UHFFFAOYSA-N 425.580 0.349 50 20 ICGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2c1=O 793038788 IHVODTYLBCRPGF-UHFFFAOYSA-N 427.442 0.116 50 20 ICGD CCn1ncnc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 793461925 QNOFQFLRPMHNJN-UHFFFAOYSA-N 435.510 0.617 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 794077362 UBBIQRUOLUYHCU-UHFFFAOYSA-N 431.449 0.315 50 20 ICGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 795333130 FIYGEHMPUSDEIT-UHFFFAOYSA-N 440.957 0.509 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCS(=O)(=O)C1 797429563 WWHWVGUJMAQMOU-SSDOTTSWSA-N 431.717 0.847 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)C2 807514701 NCAQOBRVTSTKNY-STQMWFEESA-N 434.453 0.328 50 20 ICGD O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 807738640 WZHBCXAXYMHVGM-KBPBESRZSA-N 432.389 0.074 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)nn2)c1 808377173 JYKSOFRRLMUVRG-UHFFFAOYSA-N 430.446 0.699 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccc2F)cc1OC 810373523 VYQVICUBMORYGB-UHFFFAOYSA-N 425.438 0.511 50 20 ICGD COCc1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc(C(=O)OC)c1 815568349 DOQOHOPYKQMYTO-UHFFFAOYSA-N 429.429 0.957 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCc4nncn4C3)sc2C1 815690994 BVAOKAIONNVAKL-NEPJUHHUSA-N 431.522 0.988 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1OCC(F)(F)F 815691597 VINPKNCPZZKEAO-LLVKDONJSA-N 440.382 0.876 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 815692674 YBQKYMBLXOXYTR-JSGCOSHPSA-N 446.439 0.324 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 815752597 YVGGAFVPCUZAEG-UHFFFAOYSA-N 433.446 0.464 50 20 ICGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cnc(Br)c(Br)c1 815778594 YSSBOBLAWHEODB-MRVPVSSYSA-N 436.060 0.872 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@H](B(O)O)C1)n2C 864232800 CKCSEHAMLBKLIS-CQSZACIVSA-N 436.343 0.612 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2C1 918779364 OWXZHCZTHXWQBP-AWEZNQCLSA-N 447.561 0.994 50 20 ICGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccncc1 1321718529 GSYAEFMXADICER-OAHLLOKOSA-N 438.893 0.729 50 20 ICGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1cncn1-c1ccccc1 1327238117 KULMQFVPYRQCDI-QGZVFWFLSA-N 431.460 0.922 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 1336972863 WAVXMPIJGUXGIG-AWEZNQCLSA-N 430.486 0.762 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4n3)C2)C1 1778432356 YYFDUZDGQGSART-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1778897809 MCPJIMGLRQMSNA-CABZTGNLSA-N 435.168 0.612 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1779028390 KVIDXFYKXNKXEP-NRFANRHFSA-N 425.445 0.148 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779176806 KQRRWMKRMGXRDT-AVYPCKFXSA-N 437.928 0.832 50 20 ICGD CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779538798 JPBWYCPUVSQQBW-DNVCBOLYSA-N 428.606 0.623 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1779543451 BZMZZTXUWLNDPP-AUUYWEPGSA-N 438.557 0.867 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781329894 NFQDCMSSAPJZIN-BMIGLBTASA-N 427.234 0.258 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783382918 MYGDCPYJOVRICS-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21)[C@@H](O)CCl 1784092142 HRNAPNAIMIDZCO-IKICRFKJSA-N 433.896 0.460 50 20 ICGD Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)nc2ccccc21 1784093163 QVLXBKNBEFVRIR-CLROSIBMSA-N 448.907 0.127 50 20 ICGD CC(C)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1784860162 DWHJPYQARWHUCR-NRFANRHFSA-N 429.521 0.955 50 20 ICGD CN(C)C(=O)NCC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1785929690 OZDGUGMVJYWDHO-UHFFFAOYSA-N 438.293 0.385 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407822 WYRWKYSQSGAHHT-IHRRRGAJSA-N 433.347 0.124 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@H]2C1 1787382423 ALMUMZKCJVJANQ-WSMBLCCSSA-N 439.896 0.700 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21 1788609994 KPEQSSOETXYJNU-NUTKFTJISA-N 442.451 0.126 50 20 ICGD COc1ccc2[nH]cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)c2n1 1789187988 YUSHPZIQICAVJR-MZGVZZPPSA-N 436.896 0.765 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)[C@H](F)Br 1789925891 XWYFBFLQUFFUOB-SDPXSBNPSA-N 445.289 0.785 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293297 SHNRSFPRLJKINB-UBDQQSCGSA-N 434.541 0.105 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3F)C[C@@H]21 1791294013 YFCYOTBEDIUHOO-OWQGQXMQSA-N 436.484 0.498 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)C2 1792870352 DSZUQSHDMFBODQ-DRVOEKJOSA-N 428.371 0.947 50 20 ICGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792988793 BYZAWNCMNWCGHU-NIFZNCRKSA-N 433.933 0.337 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)C(C)(C)C 1793194072 KGJFFORNPWFCPR-ZUWCUPBKSA-N 436.322 0.817 50 20 ICGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794088047 CGGLUMRHIBAJHB-BTTYYORXSA-N 436.372 0.140 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(C)n1 1794423579 VLZHQWVUBWAHSD-MOINTJSASA-N 425.493 0.964 50 20 ICGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795737608 AJWDKPJDUFGHKO-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(=O)OC(C)(C)C 1795765110 KPKVHZYKCQQTNG-BCDXTJNWSA-N 445.325 0.485 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796448325 NTXUOBLNTFOVRS-JXFQULDKSA-N 448.545 0.450 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)[C@H](F)Br 1799347269 KLAKHVJUURLZDC-DJBIQUGXSA-N 444.257 0.747 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352291 OFHWNUYQERSOKI-NOXHYTERSA-N 431.306 0.860 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 1801011613 VWFBIYCYUIZMJN-UPHUGPLXSA-N 427.505 0.744 50 20 ICGD CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803402627 RFSNALDIBLXMRK-UYAOXDASSA-N 437.305 0.696 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncc[nH]2)[C@@H]1c1cccnc1 1805155123 AUYAVQGKIVPMGN-YOEHRIQHSA-N 434.460 0.437 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnccn2)[C@H]1c1cccnc1 1805436034 VZWKROKBSQOWRQ-OXJNMPFZSA-N 425.493 0.564 50 20 ICGD CCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806030400 NFSVQZOBKAUDGD-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)CC1 1810297178 BBFIOXNNPSOQSX-MAUKXSAKSA-N 433.472 0.703 50 20 ICGD Cn1cncc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298251 HGROQCPDZLUTEB-BEFAXECRSA-N 448.487 0.447 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1810547763 HYMGXIJCQLERQG-IIBYNOLFSA-N 444.564 0.864 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1ccnc1 1813068649 PKJPYJIIWBBEJS-HGHGUNKESA-N 441.536 0.918 50 20 ICGD O=C(CC1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814605445 CQZSNNDYISCGNY-INIZCTEOSA-N 443.334 0.865 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815053409 JYMPDANDXGEELK-OPRDCNLKSA-N 446.371 0.679 50 20 ICGD O=C(Cc1cncnc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815969613 BJTJCGZUWSMYRH-GOSISDBHSA-N 434.265 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncnc2)n[nH]1 1816508175 DABYZVKZLUHOJR-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)[nH]n1 1819404406 IWLSJAJEOVBYLI-HOTGVXAUSA-N 427.465 0.893 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824255126 FHFMDIZBWLDZEM-OALUTQOASA-N 431.537 0.935 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cc2ncccn2)CC1 1825317746 OTUUCPOQUOQFCL-HXUWFJFHSA-N 436.321 0.632 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1825355553 MKDLHNKGJXXDCL-GOSISDBHSA-N 425.298 0.042 50 20 ICGD CC(=O)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n[nH]1 1826080398 IKMAZOGDTULKMZ-LLVKDONJSA-N 447.521 0.668 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831567 MYANVPRICQVTMA-DXCKQFNASA-N 431.283 0.553 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1830533309 JZZJQTXOBYGVNE-KSSFIOAISA-N 441.326 0.507 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830534928 FDOGEDQOFCLJET-PXAZEXFGSA-N 443.298 0.283 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc2c[nH]nc12 1830735551 IERUDTBGSIXXKG-OXJNMPFZSA-N 436.896 0.541 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831439207 ZPTDIFNDGGKARH-SFHVURJKSA-N 436.958 0.614 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1 1831873142 BMXDQDFUWZJWJO-INIZCTEOSA-N 448.572 0.312 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832877923 NUGQOCPFIABNEO-YWZLYKJASA-N 440.928 0.608 50 20 ICGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)Br)CC2)CC1)C(=O)O 1834739445 APFYKOZFQXQLLU-IUODEOHRSA-N 447.374 0.404 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798179 ZIGOFWQYVJLHSK-VXKWHMMOSA-N 439.365 0.598 50 20 ICGD Cc1oncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801306 ZJUPUIJOIGSLTD-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835406281 YFJOMHFHRMRNTQ-RDTXWAMCSA-N 446.342 0.096 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837020516 QTQADULFBOFLTB-HNAYVOBHSA-N 437.884 0.053 50 20 ICGD C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(F)(F)F 1837710347 XDONPLXGZQIEON-CVEARBPZSA-N 442.507 0.608 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837770329 ZRJXZIGZPBDARL-UHFFFAOYSA-N 434.631 0.881 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CCC=CO3)CC2)CC1 1837919256 VALMIVOSTPGLBP-OAQYLSRUSA-N 442.321 0.671 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839144880 MWKBNTRMACOADM-FOIQADDNSA-N 439.896 0.956 50 20 ICGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cccc1=O 1839151261 LZDHEYZCWQTZEM-OALUTQOASA-N 446.331 0.692 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839151895 HTETWNSKSXIGSY-SJORKVTESA-N 449.291 0.194 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1840036266 IKZYHLUGNMSXQX-GRDNDAEWSA-N 429.315 0.684 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840497356 VLIMAUKMZLXXRL-FQEVSTJZSA-N 437.569 0.638 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595884 KPROKYURJNSERE-KDOFPFPSSA-N 433.343 0.921 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)C1CCOCC1)C2)NC(=O)NCc1ccccc1 1845038752 OIDGBRPHNZZQSU-UHFFFAOYSA-N 443.548 0.963 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)cc1 1847564196 UDGYTPYVEPKGDU-ULQDDVLXSA-N 428.938 0.824 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCn1cnc2ccccc2c1=O 27192934 FYKBLBAKUWEIGI-UHFFFAOYSA-N 442.501 0.849 50 20 ICGD CCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 105867067 FZAKFWXKRBVBJN-UHFFFAOYSA-N 430.486 0.444 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCn2cncn2)cc1 726535920 IRULPHBUILGGGU-YBEGLDIGSA-N 434.460 0.749 50 20 ICGD O=C(NCCn1cncn1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 726710400 XKHVPSSNFCYMLO-UHFFFAOYSA-N 435.491 0.785 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc2c1=O 728844878 ABHRDAQVIWKUNK-UHFFFAOYSA-N 437.460 0.590 50 20 ICGD Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 729509136 VGBGPIJEMJBAKA-UHFFFAOYSA-N 449.518 0.689 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3cc[nH]n3)CC2)cc1 730102467 FKIDVNGBFXVRAV-UHFFFAOYSA-N 433.490 0.403 50 20 ICGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)c1cnn(-c2ccccc2)c1 733110143 CVTVZCDJNZQDSP-UHFFFAOYSA-N 426.384 0.974 50 20 ICGD COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)cc(OC)c1OC 741144286 PHQMXGSLNMVAAV-UHFFFAOYSA-N 440.478 0.802 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)cc1 743829834 FAEJMHCRKGLUQL-UHFFFAOYSA-N 426.401 0.951 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1 746108491 WYAPTRVEIQKLOQ-UHFFFAOYSA-N 433.446 0.669 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(=O)N1CCCC1 748247781 WTOZADREMDOHNM-UHFFFAOYSA-N 436.515 0.610 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc(Cl)c(N)c(Cl)c1 754711119 LTYIHPAYFXPPDH-UHFFFAOYSA-N 438.275 0.863 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 754850672 PVLSPTVVZJILSL-CQSZACIVSA-N 433.490 0.926 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(I)cc1 755362041 MFRMUXBXLNUVJK-SSDOTTSWSA-N 426.236 0.382 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 756528581 USRKGMAUTLQMCL-UHFFFAOYSA-N 447.521 0.762 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 758046772 KCMRQAYEKJDZBY-SSDOTTSWSA-N 436.828 0.557 50 20 ICGD O=C(NNC(=O)C1Cc2ccccc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 761389144 COHPPXMXKQJBTQ-UHFFFAOYSA-N 429.498 0.884 50 20 ICGD O=C(CCn1c(S)nc2ccccc2c1=O)NNc1nccc(N2CCOCC2)n1 762862756 YWSSBRPUUILKRA-UHFFFAOYSA-N 427.490 0.845 50 20 ICGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNc1nccc(N2CCOCC2)n1 762869522 YBAHQCYPMVIKOE-UHFFFAOYSA-N 432.506 0.918 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 763949414 BYXRJMDVSJDQNZ-UHFFFAOYSA-N 437.500 0.711 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 763958632 XEGYWXWSMMKCOF-UHFFFAOYSA-N 425.445 0.864 50 20 ICGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(F)(F)F)c1 764116645 MYMAAUMEXWEAJO-FMCGGJTJSA-N 449.411 0.538 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c(C)c1 764132483 XOHCEDDONSQBJF-UHFFFAOYSA-N 431.401 0.661 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 764204344 RZGJTXOEOQJIHT-UHFFFAOYSA-N 440.287 0.851 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c(OC)c(OC)c1 764241633 CZVFSIYZPKODCQ-UHFFFAOYSA-N 426.385 0.762 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 764318414 XFIJJEWQSCOGBQ-UHFFFAOYSA-N 437.460 0.705 50 20 ICGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 764379253 SYBQSNUHZXEKMI-UHFFFAOYSA-N 441.448 0.790 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 767937182 GQRNFHSAYFPWLO-MSOLQXFVSA-N 428.497 0.374 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)C(C)(C)O)cc2)cc1 768262434 WPHYKXUBVGHUFJ-UHFFFAOYSA-N 433.486 0.900 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3n[nH]c4c3CCCC4)cc2)CC1 777278566 KUHQQDUCDZCIAB-UHFFFAOYSA-N 432.550 0.910 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 778438343 OURBAGFTKMZEII-LJQANCHMSA-N 437.428 0.265 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c(OC)c1 782121498 PANAFHDLROEUIL-UHFFFAOYSA-N 431.401 0.655 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)cc2Cl)CCN1 782831799 GVTARCHAWXHHJY-UHFFFAOYSA-N 431.836 0.382 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCS(=O)(=O)C1 783427321 OFLPCOHQQQPREJ-LJQANCHMSA-N 440.591 0.414 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2cc(C)ncn2)c1 783945351 XAQGUBJLRZEAGV-UHFFFAOYSA-N 436.494 0.906 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C[C@H](C)O1 784003386 VVTUPLRTEMCYIM-KBPBESRZSA-N 443.460 0.409 50 20 ICGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784212895 GVRKKFXYHQIQKB-UHFFFAOYSA-N 435.437 0.447 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 784854963 POXNJTNPNBIKJS-UHFFFAOYSA-N 425.401 0.953 50 20 ICGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1=O 785650882 GCOZNRSDIXQUKF-RTBURBONSA-N 444.532 0.561 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(-n2cccn2)c1 792350833 OEABUSBEMHZDDP-SFHVURJKSA-N 437.412 0.807 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nnn(Cc2ccncc2)c1C 794782012 VPCDYHPSFPGCOY-UHFFFAOYSA-N 442.505 0.706 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1Br 797012716 SBHCSCGRIAIWKT-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 809957663 SVCONSBNSYFMJY-INIZCTEOSA-N 447.517 0.236 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 813512225 SRMQBTNZDCIWBM-UHFFFAOYSA-N 441.506 0.682 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc2c(cc1Br)CCC2 815691169 HKKBAAVBCJAMBP-LBPRGKRZSA-N 447.293 0.878 50 20 ICGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817055307 WGGLMPMVKBAJCK-HNNXBMFYSA-N 432.568 0.974 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 843478726 JLSANXLOTUSRDD-GFCCVEGCSA-N 425.488 0.728 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cccnc1)c(=O)n2Cc1ccccc1 916332434 WCFPJOYXNMDOAO-UHFFFAOYSA-N 431.456 0.973 50 20 ICGD CC(=O)NCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 916521819 PJYLQXVEWWQLDV-UHFFFAOYSA-N 447.517 0.635 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)n(C)c2n(C)c1=O 919690254 PJRDEQVNHYRFKI-UHFFFAOYSA-N 427.505 0.943 50 20 ICGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cccc(OC)c3O)C2=O)cc1 919757108 YBYDCLVEQSCIOM-NRFANRHFSA-N 442.428 0.638 50 20 ICGD O=C(NC[C@H]1CCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920348362 KFGFBLUNHMUHJZ-OAHLLOKOSA-N 426.495 0.221 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cccc(CN2C(=O)CNC2=O)c1 920932419 JYZIWCMHDFZLEB-INIZCTEOSA-N 425.401 0.731 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 1248468063 VXBONRTZXBATOW-UHFFFAOYSA-N 445.501 0.640 50 20 ICGD COc1ccsc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032206 GRYJAJFTGIYZLU-FQEVSTJZSA-N 445.501 0.513 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC=CO2)C1 1779349017 AWCUYCZZAARFKZ-NJNPRVFISA-N 443.504 0.505 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)N1CCN(C)CC1 1781095315 NEBOSMJZLYJUIC-CPUCHLNUSA-N 435.338 0.143 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781483431 WHJUXVWDCOAQLM-HSZRJFAPSA-N 438.289 0.441 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Br)C1 1781998167 OWHVISCEPJMPKF-APNQJHFZSA-N 433.347 0.731 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782867436 UVRDUYLYILWBNW-NMQRCDEWSA-N 429.379 0.790 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21)[C@@H](O)CCl 1784090378 CLUQVAYOWWOHAN-HJWJTTGWSA-N 433.896 0.460 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785519325 PNKVKYQTRPPACK-QVSJOPQTSA-N 443.273 0.464 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1791253457 AJIOIQDSHJCUIE-FSGKZVOOSA-N 435.952 0.934 50 20 ICGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(OC)c1 1796191648 KOVKEIMYHORSHG-BCDXTJNWSA-N 438.289 0.949 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)cc(C(N)=O)cc1C 1797736443 HPGQPIPECWVPBZ-KYHPRHEASA-N 437.924 0.859 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)n1ccccc1=O 1799348981 FHSSSYGIEJRIOY-AMVBZWJASA-N 430.274 0.689 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800757129 IUHWUIQZNNDTOW-HNCHTBHHSA-N 438.282 0.422 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1800757676 SMGGLHLDUJFZMY-ZJOBFFGXSA-N 430.343 0.762 50 20 ICGD COCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339634 CWXKFJHGKJWGMZ-BCDXTJNWSA-N 442.557 0.067 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802969959 IQJJJVOUISGPSY-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)cn1 1805252745 MFCICMMJLDHPFW-UWJYYQICSA-N 439.520 0.873 50 20 ICGD Cn1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1805290061 XCXSYKHRAPVNHR-GHTZIAJQSA-N 432.289 0.733 50 20 ICGD Cc1nccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807373762 AHGQLARQROXIAN-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374735 MBIVTGIKLAZOIH-KNQAVFIVSA-N 438.337 0.421 50 20 ICGD O=C(Cc1ccncc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807496005 XSHCMGVWIBQZSC-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cc1 1809972822 RCDMQPJTXIYBRM-UHFFFAOYSA-N 449.316 0.624 50 20 ICGD Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1811474141 INATZSWIIQRRJK-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@H]1c1cccnc1 1813071816 XXODQKLCLZWKJQ-UWJYYQICSA-N 440.504 0.408 50 20 ICGD CCOCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813535319 XCAPPAOXWDEDCV-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814306178 XYNHXGLOEMNTOW-NSHDSACASA-N 448.505 0.030 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cncnc2)n[nH]1 1815971359 JPUSFLBLSNLHCG-KRWDZBQOSA-N 449.475 0.747 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470987 BELALKICPNYRGR-DVQDXYAYSA-N 440.265 0.515 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817606742 MNVXBVGDPXPRBQ-JTQLQIEISA-N 437.551 0.902 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)no1 1820742532 XERHQNQQZWDRRW-ZDUSSCGKSA-N 440.290 0.913 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1 1820932779 PMLRNJCPBLWCPR-DVYJOKAKSA-N 433.282 0.685 50 20 ICGD COCCOCCOCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1825769278 XIGNLKFDVGIUDC-GXTWGEPZSA-N 449.957 0.725 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cccn1 1826866863 ZWRQUHBHCPVVPS-STQMWFEESA-N 433.538 0.886 50 20 ICGD Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CBr)CCO3)no1 1830536037 XAQLTTSRPHLMAP-PXAZEXFGSA-N 445.314 0.408 50 20 ICGD O=C(COc1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723884 SRKKCKHUYZFTKV-APWZRJJASA-N 430.860 0.261 50 20 ICGD Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724740 BDTTVPOOLOINLN-YLJYHZDGSA-N 425.913 0.379 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1831657695 QCSUTEMFTWXRGO-MPGHIAIKSA-N 436.958 0.428 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831830312 OWTHXDBRDCFRRT-OALUTQOASA-N 436.745 0.854 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875744 DGJWMANTYHCBRN-ACJLOTCBSA-N 442.310 0.239 50 20 ICGD O=C(CNCP(=O)(O)O)N1CCC(OC2CCN(C(=O)C(Cl)Cl)CC2)CC1 1837836318 VDBIMCUYKDYQAZ-UHFFFAOYSA-N 446.268 0.514 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1C 1839198568 IUHYUONISDTAAR-DOTOQJQBSA-N 447.305 0.418 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649437 PHRDBWMSZQDNOF-UZLBHIALSA-N 440.928 0.979 50 20 ICGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031177 HXSRHBBZQZVRDU-CXAGYDPISA-N 429.315 0.756 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840036558 OAVKGVZIXTZFEO-SEVFCGSRSA-N 433.343 0.777 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840272819 VTZXKJKXIFOEAJ-JTTJXQCZSA-N 433.343 0.779 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1841300693 QBXUHWVJWOXZGD-QWRGUYRKSA-N 438.294 0.766 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1843415365 NGUYYFUUEWEHTE-IMQYADFFSA-N 429.399 0.637 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038219 FTFZBSPYKJKDMV-SFHVURJKSA-N 441.532 0.574 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(N2CCN(C)CC2)CC1 1847500304 DOAAJWRBVZKYLI-PMPSAXMXSA-N 427.387 0.999 50 20 ICGD Cc1cccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 16232053 GSVJCUKDXGZMQF-UHFFFAOYSA-N 429.506 0.458 50 20 ICGD COCCCNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 726076413 SEDMQNXOXRZNNA-UHFFFAOYSA-N 448.542 0.334 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 727941888 KXKZVJUFGRHVSY-UHFFFAOYSA-N 439.520 0.869 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)CC2)cs1 728595948 ABAHMRCWIROXME-UHFFFAOYSA-N 434.503 0.684 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 728851011 HQVGCYCVDYTDCD-UHFFFAOYSA-N 434.474 0.115 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(I)c1 729274663 ZMGFXDSYNCBUJR-LURJTMIESA-N 445.666 0.643 50 20 ICGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 729506938 LAEYVSQXXGBBQF-KRWDZBQOSA-N 444.536 0.541 50 20 ICGD C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)C1 731214708 WUOYBMIWWDQZRF-LPHOPBHVSA-N 433.528 0.899 50 20 ICGD CN(C)C(=O)NNC(=O)CC[C@H](Cc1ccc(Cl)cc1)C(=O)NNC(=O)N(C)C 733141584 RPKOWMGDLYWTBL-CYBMUJFWSA-N 426.905 0.884 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 737469109 FKQMWGWAAQJCEF-UHFFFAOYSA-N 435.462 0.743 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NC2CCCCC2)s1 746095081 XIBBNDQROOVNGP-UHFFFAOYSA-N 431.540 0.326 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 751207120 RZOSIKWYADQJDN-HNNXBMFYSA-N 434.474 0.400 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(C)o3)c2)CC1 752523059 PTBSSFHUWFVNPG-UHFFFAOYSA-N 434.474 0.516 50 20 ICGD N#Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)COc3ccc(C#N)cc3)C2=O)cc1 753722977 MRIZXTWEUCIKHZ-LJQANCHMSA-N 432.440 0.940 50 20 ICGD COC(=O)C12CCC(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)(CC1)C2 760053999 RJMRFSKZFCQBQO-UHFFFAOYSA-N 437.518 0.886 50 20 ICGD CCCCNC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760165862 LAQQIGWOLNCTOQ-OAHLLOKOSA-N 427.527 0.346 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1S(N)(=O)=O 760432656 OOZAKEORSFXXHL-UHFFFAOYSA-N 448.473 0.086 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)cccc21 763538574 DJCUXYWQXUQIES-UHFFFAOYSA-N 441.469 0.890 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1NS(C)(=O)=O 763682035 VLMCTNYRXMPGMO-UHFFFAOYSA-N 438.437 0.671 50 20 ICGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1F 763761063 ZXPAGZNGFVAQEU-UHFFFAOYSA-N 426.412 0.576 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 764005316 YFSRESHXOQBUMT-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 764132348 NFOXKMMETSSLGS-UHFFFAOYSA-N 446.485 0.564 50 20 ICGD COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764155131 WHCKWSRPMBQEGV-DRKIFQHWSA-N 445.497 0.671 50 20 ICGD Cn1nc(C(=O)NNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c2ccccc2c1=O 764544780 MVHHWQAIFBECGE-CQSZACIVSA-N 431.449 0.330 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(Cl)cccc3s2)n(C)c1=O 765723678 CZPLNJAECWAMJO-UHFFFAOYSA-N 446.876 0.763 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)n(C)c1=O 765730735 NNXZRSDRTSICSF-IAGOWNOFSA-N 446.467 0.538 50 20 ICGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 768289149 OQPLNDSXHJQHCF-UHFFFAOYSA-N 445.432 0.550 50 20 ICGD Nc1c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccnc1Br 768589948 XNJIZYBLBCKVJX-UHFFFAOYSA-N 438.194 0.953 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n[nH]1 770246328 QGJMMKOYNNTILU-UHFFFAOYSA-N 444.473 0.805 50 20 ICGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NNC(=O)COc1ccccc1O 772521388 JWSSOCHPJYCVBI-CYBMUJFWSA-N 437.478 0.797 50 20 ICGD CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 772610276 VRXPXSKGNTYSBW-UHFFFAOYSA-N 427.465 0.865 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 773418380 TYYYBHAPLWAZQW-YUNKPMOVSA-N 437.497 0.501 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NOCCC(F)(F)F 779696792 UQIQZLVNBFEVHA-UHFFFAOYSA-N 440.400 0.536 50 20 ICGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783427606 PFHHXUJVRPWKJM-KRWDZBQOSA-N 430.914 0.615 50 20 ICGD O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCCCCl)cc2)C1 788047081 MSPLHFLXCXXXFT-CYBMUJFWSA-N 444.984 0.913 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 790044554 AUYMPRXUIXKUJB-MRVPVSSYSA-N 444.409 0.236 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 790063603 OKGSKHMPTYNSAI-OAHLLOKOSA-N 443.522 0.694 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 797369213 QIECFWTYXPPORA-UHFFFAOYSA-N 425.445 0.973 50 20 ICGD COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C 798042858 BWWQWYSJHJYUML-UHFFFAOYSA-N 433.446 0.751 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc21 800623515 QYVXUWVMUPXVAO-UHFFFAOYSA-N 439.476 0.595 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC 802076450 KGTZSDGGTLCJQJ-UHFFFAOYSA-N 438.890 0.466 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)c3ccccc3O)c3ccccc32)N1 806972800 MAIBWGKCWWWVJK-UONOGXRCSA-N 438.440 0.189 50 20 ICGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 807023605 BHTGDTYFXGRNFN-KRWDZBQOSA-N 434.474 0.406 50 20 ICGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1Cl 815691788 BJXDYEQHPBRJEO-SNVBAGLBSA-N 434.840 0.457 50 20 ICGD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 913552959 BKWLJRNLSHYOHA-UHFFFAOYSA-N 427.464 0.820 50 20 ICGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1-n1cnnn1 914748133 IULDQFGXMYWLON-UHFFFAOYSA-N 429.462 0.296 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnc3n2CCCCC3)c1 915915542 AVQPKYJNJWDOJW-UHFFFAOYSA-N 435.510 0.399 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc(Br)c1 917625364 PJEITCWPBUEADN-SNVBAGLBSA-N 442.295 0.534 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)NNC(=O)c1cccs1 919183430 VULMOFFYSADSBE-HIFRSBDPSA-N 449.460 0.396 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1O 919755699 UYAYQJPCQPXGET-CQSZACIVSA-N 449.485 0.933 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1779037339 WLLLEDKQFPICCF-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD O=C(c1ccc(OCCCO)cc1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780124055 PZECWJJLKLBOEY-YLJYHZDGSA-N 426.897 0.491 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781230076 MOWLZGMDPZPBLO-ZWKOTPCHSA-N 444.319 0.365 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782018993 LKLAIAPOPFNNAF-PXNSSMCTSA-N 433.896 0.965 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCS1 1782752158 GVYKMFWTJICGPT-DBXWQHBBSA-N 432.351 0.390 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783530365 XAWGGYBLZPOXFT-ACJLOTCBSA-N 441.326 0.748 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1783882230 PQCNGIRUIRZGBW-LKFCYVNXSA-N 425.795 0.521 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1787506496 ALWJOOFPVFOVCC-JHUKZBBPSA-N 427.465 0.137 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC3(F)F)[C@H]2C1 1788127831 SNGNDOIXGXPHRP-VJLHRWHASA-N 437.447 0.755 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccoc4cn3)[C@H]2C1 1790326276 LPWMZRSIHXJOCU-BXWFABGCSA-N 443.504 0.794 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088249 YBFBYRRNLDKGPN-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793549358 BCRWEUCYYCQQEZ-NEBZKDRISA-N 426.311 0.762 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797893789 KXGYERLCGCYCMP-ZQNQSHIBSA-N 428.331 0.535 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798440086 ASLBXASWAQKYNU-VAQHHSBGSA-N 444.492 0.466 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1Cc3ccccc3CN1)C2 1798440159 FBFQIIIHAYEULY-NYUBLWNDSA-N 448.527 0.651 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)n1 1798589086 JXRNZLAGGPLECY-BJWYYQGGSA-N 446.552 0.298 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1799279924 XRSKZESBOSQPBK-CGOYYEKTSA-N 427.350 0.390 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ncccc13)C2 1801012905 MWVGRNGMFUJMNN-YVWYUNDQSA-N 440.504 0.206 50 20 ICGD O=C(Cc1cnccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803298403 SYDPDJJPKKNBPR-GCJKJVERSA-N 445.288 0.114 50 20 ICGD C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803543204 KSSYKTHWSQXJRV-OZOXKJRCSA-N 435.289 0.119 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807055683 NJMMXJXOALTGBE-ZLDLUXBVSA-N 425.331 0.601 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)no2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360410 KOCUELFIZDMZDU-DNVCBOLYSA-N 436.233 0.088 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375736 VBBHMIJHLGFGFP-JXFKEZNVSA-N 436.252 0.862 50 20 ICGD O=C(CNC(=O)c1ccco1)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807583917 BSYKHXWXRSUUHL-MPGHIAIKSA-N 434.880 0.710 50 20 ICGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](F)Br)[C@@H]1c1cccnc1 1808660652 BDDOLYVHSVKFMS-RJZRQDKASA-N 444.305 0.371 50 20 ICGD O=C(/C=C/c1cnccn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972059 AJFLBYPQRKYUCX-VOTSOKGWSA-N 434.305 0.715 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810310048 UFZJIRFMMBIYPS-DZKIICNBSA-N 427.958 0.171 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccncc1O 1810662833 YQGKHPIYAIMWDP-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ncon2)[C@H]1c1cccnc1 1811176960 ANPNPWMMHACHFA-XJKSGUPXSA-N 436.432 0.097 50 20 ICGD CCn1nccc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339840 RATXFLOJFYRANU-CQSZACIVSA-N 439.306 0.579 50 20 ICGD Cc1nnsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471030 AAUMENCLYXWECR-HNNXBMFYSA-N 440.294 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCOCC1)CC2 1819795163 IZNHSLZGCDNXGS-LBPRGKRZSA-N 444.517 0.794 50 20 ICGD Cc1cnoc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1821129256 JZOSYQNVGJZOKQ-SNVBAGLBSA-N 441.473 0.978 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822368367 ARROZZUOFKVYRY-PWSUYJOCSA-N 426.861 0.207 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822434448 WRGIZQWGQZGHBH-IAGOWNOFSA-N 446.338 0.509 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cnsn2)CC1 1825521909 ZHDDIOWJUFZWLM-SFHVURJKSA-N 428.323 0.765 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1825713982 LBMRXCIRPIDVJQ-QGZVFWFLSA-N 432.525 0.789 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829944743 MYWPZLHSPGBBSQ-QWQRMKEZSA-N 446.342 0.000 50 20 ICGD Cc1ncncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830541103 XWVQCZWLVDTCJW-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4ccc(O)cc4)CC3)C2)C1 1830719924 PBTGIXFAYMCZFQ-FXAWDEMLSA-N 438.908 0.480 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831644510 YWRIDWMHDWBBDV-AUUYWEPGSA-N 426.901 0.963 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(C)(C)C)n3)CCO2)C1 1833590678 PEXHACASQQVOIM-QRWLVFNGSA-N 442.944 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836064474 RVDDBWJDEWBJSS-MRXNPFEDSA-N 425.917 0.621 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815565 OZMAPUVZHNLOJO-DNVCBOLYSA-N 437.884 0.282 50 20 ICGD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1837549017 UIKPEZUTORCWIQ-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1840036979 XGBASICEOIRTKW-BEFAXECRSA-N 446.386 0.958 50 20 ICGD CC1=CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184493 QGQACGZDOZMJOU-AVRDEDQJSA-N 436.553 0.562 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnc(Br)c2)C1 1844416944 SNBJAMWNDPDSEJ-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 725898037 FXPOSIYYHLRMBM-UHFFFAOYSA-N 438.531 0.854 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 726164087 NWRBFQORGYICDL-KBPBESRZSA-N 449.464 0.930 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 728312231 IQRVXJJBVUGJER-UHFFFAOYSA-N 435.502 0.756 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@@H](C)C1 731848434 JRWCBUWNEHKKCE-YESZJQIVSA-N 440.589 0.157 50 20 ICGD CS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 732328919 FNCPFJUKTGYONZ-UHFFFAOYSA-N 439.377 0.755 50 20 ICGD COc1ccc([C@@H]2[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CCC(=O)N2C)cc1 734428493 SABTVLQASJSLCS-FRFSOERESA-N 438.506 0.122 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1[C@@]1(C)NC(=O)NC1=O 743730021 WQGCZACUBPKRBH-QGZVFWFLSA-N 425.467 0.185 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1 744570058 GBLKDNRIOHULGS-UHFFFAOYSA-N 436.471 0.293 50 20 ICGD CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCO1 747499976 GGKOTAXEICQWKA-HNNXBMFYSA-N 434.497 0.476 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC[C@H](N(C)C)C3)nc2)CC1 749591772 SOPFIPMWSMFOTJ-HOTGVXAUSA-N 439.586 0.517 50 20 ICGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-] 751291827 ZBJBILNBBURHCW-UHFFFAOYSA-N 436.446 0.994 50 20 ICGD COc1ccc(C(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 755091050 WVRLRTKCASIJRH-MWDDYTRKSA-N 428.445 0.455 50 20 ICGD O=C(NNC(=O)C1CCCC1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755536079 RJPZPNOQYZBJMF-CQSZACIVSA-N 444.535 0.495 50 20 ICGD COc1cc(C(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)cc(OC)c1OC 760455423 RGOHPHZDVTYIJK-UHFFFAOYSA-N 427.417 0.672 50 20 ICGD O=C(COC(=O)c1cccc(OCC(F)F)n1)NNC(=O)[C@H]1COc2ccccc2O1 760598787 KJTRONJWIRFCOJ-CQSZACIVSA-N 437.355 0.870 50 20 ICGD Cc1ccc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2ccc(C)cn2)N2CCOCC2)nc1 761813331 RUWRMFHWVVSWRN-FQEVSTJZSA-N 437.504 0.785 50 20 ICGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763681314 SMVAOUNCUHJWSO-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003901 JXSXQYYZTHMTGS-UHFFFAOYSA-N 426.429 0.997 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 764004286 ORBZOGQRLRWWHZ-QGZVFWFLSA-N 441.396 0.186 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764036145 XSCPUQJBAAPBLS-UHFFFAOYSA-N 426.476 0.259 50 20 ICGD CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C1 764232676 SUXUYKSOLMCDAA-STQMWFEESA-N 439.538 0.070 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764365802 BYBMFNUFOKDVSD-UHFFFAOYSA-N 448.501 0.676 50 20 ICGD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764685847 BXZKAPCJIYUATG-UHFFFAOYSA-N 433.446 0.919 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNc1cccnn1 768135004 NZHKNSFXRXPHQV-UHFFFAOYSA-N 436.469 0.372 50 20 ICGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(Br)cc1 770448065 UTLIIQTYYGNONW-CYBMUJFWSA-N 436.328 0.939 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 770481697 XKTSOCLPQKLVKF-LLVKDONJSA-N 444.839 0.758 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)nc21 770982373 HBDSXFYERCXHIC-UHFFFAOYSA-N 434.434 0.147 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 772364611 HYTMIACMICTSQP-YYSFKGJASA-N 442.831 0.735 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 775706841 IZIWVKYCIQVODA-OAHLLOKOSA-N 445.457 0.307 50 20 ICGD COC(=O)CCCOc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783427353 ROOKKTKZGCWGIO-SFHVURJKSA-N 427.479 0.155 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cccc1N1CCNC1=O 787541089 LYFJDMLVDZTFFD-UHFFFAOYSA-N 425.401 0.653 50 20 ICGD CCC(=NNC(=O)C[C@H](C(=O)NN=C(CC)c1cn[nH]c1)N1CCOCC1)c1cn[nH]c1 789020670 KTUJEFARBBVGES-GOSISDBHSA-N 443.512 0.385 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 792011073 GBSDMVDNQQDRNV-QGZVFWFLSA-N 427.335 0.808 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 798314373 IUROWJLNUGOHLD-UJZCVKTISA-N 427.383 0.682 50 20 ICGD C[C@@H](C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 802046413 NCIWQMXGBVTXMM-YPCYXAEESA-N 438.387 0.992 50 20 ICGD CS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066351 MBAUQGSMJDQELE-UHFFFAOYSA-N 426.476 0.928 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802124981 XVNSUPCYSZMJTK-LBPRGKRZSA-N 448.505 0.371 50 20 ICGD COC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 804124755 SPDIDRVEMPZKFT-FWLQQBITSA-N 433.508 0.109 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cnn3ccccc23)cc1 807465846 MKNPOLRLTWUOJN-UHFFFAOYSA-N 430.490 0.794 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)nc21 807528351 OFKXVOQJZZPPDJ-LLVKDONJSA-N 440.530 0.727 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)s1 814333130 IGPXGEBDDRROMP-OUAUKWLOSA-N 435.514 0.248 50 20 ICGD CCOc1ccc2c(c1)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCO2 814877758 YSEUIBGEQZZWNA-UHFFFAOYSA-N 426.433 0.135 50 20 ICGD CC(C)CCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1C(C)C 815691801 BPSQWEKBLFZATG-CQSZACIVSA-N 430.513 0.993 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C 915185172 UYQPOELNWATXLV-UHFFFAOYSA-N 433.895 0.928 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267520 SNCCAJOVEBKGJC-UHFFFAOYSA-N 441.536 0.961 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2F)c1 918062415 SBDFCDLLKBNDSD-UHFFFAOYSA-N 445.450 0.398 50 20 ICGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1O 919756057 PJSZPYGQQFGSJX-UHFFFAOYSA-N 425.419 0.090 50 20 ICGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)c1ccc[nH]1 920302745 CZFOPPFVSFRLGV-UHFFFAOYSA-N 430.490 0.858 50 20 ICGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 920999910 WKUFTJIMZAWBBC-ZBFHGGJFSA-N 425.507 0.816 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cc1 1115811972 WAERHQJYXUKQQX-UHFFFAOYSA-N 449.485 0.676 50 20 ICGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)CC1 1778026181 NXKYUTISELFWPU-SZVBFZGTSA-N 432.924 0.199 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2)[C@H](F)Cl 1778029892 IPSMNXUBCNKHMD-ACWOFJMJSA-N 437.859 0.751 50 20 ICGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778894980 FEAKZSDZXPTIHV-ZDUSSCGKSA-N 431.205 0.707 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1779031712 DTRRTNKNVFMBAX-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD Cc1cc(F)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779037066 MGJYJCGUTVBFQT-JOCHJYFZSA-N 441.463 0.890 50 20 ICGD CCc1ncsc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780440253 OMFMFQURMPUZEP-FQEVSTJZSA-N 429.307 0.143 50 20 ICGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)c(=O)nc1O 1781233905 OKDSXCZENFZLOQ-ZWKOTPCHSA-N 447.319 0.324 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325959 TVLGWWJREXVAFI-OCCSQVGLSA-N 427.292 0.413 50 20 ICGD O=C(COc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782677280 XOYORLWRVYHWTJ-HIFRSBDPSA-N 433.234 0.081 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783341441 CIXMTAYUMGGFRX-WBMJQRKESA-N 437.356 0.896 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)nc1 1783372414 GAGKXFMTCQLNGZ-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1783964064 ITOXBMNHWOQWDO-XUXIUFHCSA-N 432.315 0.449 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784096860 PGLBIPRIIXZSCK-NXOAAHMSSA-N 445.944 0.434 50 20 ICGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784492555 IEFDQNLHVSWCPQ-HRAATJIYSA-N 433.509 0.052 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785014170 UYEXGXMWQPIDBL-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)n[nH]1 1786404130 BUKCLYHKTNUXDM-HUBLWGQQSA-N 427.299 0.991 50 20 ICGD CCc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788951776 VCUFHFLYQDOZNQ-ZOBUZTSGSA-N 435.525 0.512 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C[C@@H]21 1791254349 PXZSZKPLOPVGNW-QAETUUGQSA-N 438.912 0.887 50 20 ICGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)c(=O)nc1O 1792132307 DMPVASTYYHXTDD-SRVKXCTJSA-N 433.292 0.041 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1792871424 YGCXPKGOVJIISG-GUDRVLHUSA-N 445.232 0.713 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)nc3n[nH]cc13)C2)[C@H](O)CCl 1792977467 VWMYRDTVQLEPHA-XSPYEYLBSA-N 428.276 0.414 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983089 CHGOQUFZQYCPAQ-AICCOOGYSA-N 433.933 0.479 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(Cl)n1)c1cccc(B(O)O)c1 1794482667 ZOGXKFBCUKWAEC-BCDXTJNWSA-N 427.697 0.909 50 20 ICGD CN(C)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440802 SXCNVHHXNNPYLJ-QDMKHBRRSA-N 437.504 0.712 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1c1ccccc1 1800925306 IRFGAFYOOUBBAN-KHWKGDQTSA-N 449.511 0.692 50 20 ICGD COc1ccc([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801008807 CLOJFPWDYXLJOG-FCQWJQKHSA-N 446.548 0.761 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)c1cccn1C 1803098712 YKUPPYIZRSZGKA-BDHJUDLHSA-N 438.488 0.980 50 20 ICGD Cn1cncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805814504 VFBXBNLSPQIDBF-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD CC[S@@](=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972584 QXSLYOLTAUTPRC-SSEXGKCCSA-N 434.367 0.370 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809974976 LIMIBRSGCOFRKF-UHFFFAOYSA-N 438.337 0.725 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc[n+]([O-])cc1 1811195898 KGAWDLLINLXOSJ-CTNGQTDRSA-N 446.272 0.028 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1813070199 FBYATVUMDXXWLL-VGSWGCGISA-N 444.536 0.083 50 20 ICGD Cc1nccn1CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072806 FQGMVXZUYGAZEN-XMSQKQJNSA-N 441.536 0.666 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCOC1)CC2)c1cccc(B(O)O)c1 1815361627 LRRJVTNUYUHQCN-UKRRQHHQSA-N 429.307 0.475 50 20 ICGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)Br)n[nH]1)C(=O)C(=O)O 1820937212 OGULRHULQAVLCQ-SKDRFNHKSA-N 448.249 0.635 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)c1 1821600256 NKNIMDRUEXJBIV-CQSZACIVSA-N 435.274 0.562 50 20 ICGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1ccnn1 1821726662 JIUDOTBGCJJCME-ZFWWWQNUSA-N 431.501 0.628 50 20 ICGD O=C(Cc1cc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824726022 GSAHMOPVIWUUKB-ZDUSSCGKSA-N 425.279 0.015 50 20 ICGD CC(=O)N(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083911 VGWBTLWTPOBCRL-CYBMUJFWSA-N 438.554 0.297 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cc3ccc(O)cn3)sc2C1 1827057856 OXDFWBHIWPFYCX-CYBMUJFWSA-N 446.533 0.771 50 20 ICGD Cc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726602 RMDBRKVOYLZTQL-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1831870335 XBVRATSYSVMNNH-MSOLQXFVSA-N 435.569 0.505 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCCC2=O)CC1 1831870954 JCSOWCOXNYPLIT-SFHVURJKSA-N 435.569 0.602 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)c1 1833313199 ZIAMVZKKWQVBRT-MAUKXSAKSA-N 425.961 0.924 50 20 ICGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)O1 1833512484 UQXZVLVKNOWYCM-AWEZNQCLSA-N 431.331 0.451 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800405 GBMZBGNWXQWYFW-VXKWHMMOSA-N 439.365 0.598 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)nc1 1834821741 WJWDHYATPRMBCV-SFHVURJKSA-N 442.310 0.945 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840137 QEMKBSGTPJCZFC-BDJLRTHQSA-N 447.355 0.826 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)o1 1836019357 OCZYDKIXHWZSEZ-YVEFUNNKSA-N 445.314 0.408 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c1 1836199822 FHPHIUPNERFVLZ-GOEBONIOSA-N 433.278 0.338 50 20 ICGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836397650 MCRCTOMBECYSIC-KRWDZBQOSA-N 429.993 0.948 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417938 QDEYFFUARPYRQH-QGZVFWFLSA-N 444.282 0.348 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1836922487 NLLCCAPPQLCXMR-MRXNPFEDSA-N 445.944 0.936 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837717578 HNIMZKAXZJYELL-MBOZVWFJSA-N 428.602 0.845 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839144734 JPZNTPLGHMFWEZ-RVKKMQEKSA-N 430.958 0.487 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839553260 PJZHTMNUQKTNBV-MGPUTAFESA-N 436.896 0.658 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)n1 1840031117 GBYOILXNMAGBKO-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840151686 LEMAVARHBMDIGQ-OXJNMPFZSA-N 436.896 0.838 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1840155617 FOTAWBVZGUQORE-GQIGUUNPSA-N 441.912 0.559 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1841924507 UECBHGIERQCZMD-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013092 HKANXPZHJFNUOQ-FQEVSTJZSA-N 433.273 0.377 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnc(Br)c2)C1 1844416928 PFHSOEACCLBUTN-UHFFFAOYSA-N 444.094 0.655 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)CC2=O)c1 1847214495 TUEIFAXJGKCPIH-XDKFSHSGSA-N 435.908 0.850 50 20 ICGD Cc1ccc(CC(=O)N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)cc1 725872190 BGIGXFDYBZZOSG-UHFFFAOYSA-N 443.529 0.914 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCC(=O)Nc2nnc(C3CC3)o2)c2ccccc2c1=O 727765285 RSUCUTHZCMFQMJ-UHFFFAOYSA-N 439.432 0.857 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 728372031 NYUGTMUOMFNFEW-UHFFFAOYSA-N 425.850 0.534 50 20 ICGD C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(F)cc1 728846428 XYSNQRCLFPNRJC-ZDUSSCGKSA-N 435.481 0.842 50 20 ICGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1I 729274578 UIJZCUZPFSARCI-MRVPVSSYSA-N 425.248 0.298 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnn1-c1ccc2c(c1)OCCO2 731454007 YLFIDIMUZWJUFU-GOSISDBHSA-N 437.412 0.948 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731496960 ZJXJAPKSZBUTKY-SNVBAGLBSA-N 446.420 0.465 50 20 ICGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 733785423 ZGEDVSFMFMPDHZ-UHFFFAOYSA-N 447.517 0.855 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 741897646 HIFLXADACXKIFO-INIZCTEOSA-N 430.486 0.799 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O 745692985 AUFHNQCKRXMPAF-MEBBXXQBSA-N 443.884 0.565 50 20 ICGD CN(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 746005914 CBNOIAMTRVGROZ-HNNXBMFYSA-N 426.539 0.820 50 20 ICGD COc1cccc(-n2c(CC(=O)NNC(=O)CC(N)=O)csc2=NCc2ccco2)c1 746096094 OZUUOWMZNGKGLR-UHFFFAOYSA-N 443.485 0.807 50 20 ICGD COc1ccccc1CC(=O)N1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 749019116 VOZYXSSHUCGIPI-UHFFFAOYSA-N 431.493 0.182 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)COc3ccccc3O)ccc2O1 751988136 NBDMHHFVXGKYDC-KRWDZBQOSA-N 436.442 0.647 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 755542926 BLAQIWRJWDAAGM-INIZCTEOSA-N 428.401 0.582 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 755742782 CSYZGERAFLJLLP-GFCCVEGCSA-N 429.520 0.990 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCO[C@H]2CCOC2)c1 757251280 BKAUATIADFYKBC-INIZCTEOSA-N 442.538 0.857 50 20 ICGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccnc12 757988962 XCKLOODVPSPAMD-UHFFFAOYSA-N 445.461 0.274 50 20 ICGD O=C(NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 759197921 YEBGLHHLDYILKL-HNNXBMFYSA-N 429.926 0.936 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2nc(-c3ccccc3)oc2=O)n1 762062251 FYGMZVZUYABSSJ-UHFFFAOYSA-N 431.430 0.202 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1C 763839360 FXVCAHLFLAONGU-ZDUSSCGKSA-N 441.423 0.972 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(OC)n1 763944729 OWVZSCBKYJLACH-UHFFFAOYSA-N 426.389 0.390 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1 764233328 UVGXXQKBPMGBGX-NSHDSACASA-N 438.437 0.642 50 20 ICGD COC(=O)CCCNC(=S)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 764518848 JHZXLWVDOKMONC-UHFFFAOYSA-N 441.985 0.906 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 764526438 YURWBVFGLRMBDK-UHFFFAOYSA-N 437.460 0.003 50 20 ICGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 765733108 NLJCUWJXZGSYEQ-FUHWJXTLSA-N 438.550 0.406 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(Cn2cccn2)o1 766640056 BJZVPODCKWJTGJ-UHFFFAOYSA-N 436.472 0.743 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)CNC(=O)c2cccs2)(N2CCOCC2)C1 767797503 DHVXOFHEIPJYPX-UHFFFAOYSA-N 439.538 0.078 50 20 ICGD CS(=O)(=O)C[C@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 774278620 IFNZPGUPFARHKJ-INIZCTEOSA-N 439.515 0.820 50 20 ICGD C[C@H]1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 776285552 NTWPWOKXDJMAGV-DOTOQJQBSA-N 439.534 0.603 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCS(=O)(=O)C1 783428920 YUBQDKBVXNNKCK-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 784001960 GZNRQHZVMBTHTJ-HNNXBMFYSA-N 430.417 0.353 50 20 ICGD CC1([C@H]2CCCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)OCCO1 784172281 QKOYREHGWCSENS-ZDUSSCGKSA-N 425.511 0.809 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 792352270 FNARGOWXDBWIKK-UHFFFAOYSA-N 449.423 0.767 50 20 ICGD CN(C)N(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 792852876 AADOSVBJHPOUMG-INIZCTEOSA-N 429.564 0.552 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)C(F)(F)Oc1ccccc1 796622447 RIFDLBSQMKKLRJ-UHFFFAOYSA-N 439.400 0.660 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1OC 796989960 NOXSEECMMLSTIC-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD COc1cncc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 799120990 XMEDZAOFULDREC-UHFFFAOYSA-N 440.503 0.498 50 20 ICGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC 799518817 LOPWUEFWRCFHJY-UHFFFAOYSA-N 427.504 0.546 50 20 ICGD COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)O1 801600264 FIMOFZWCEACNCL-DRRHNWJESA-N 435.477 0.648 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 811955681 DJBRUSHJWUTBMT-UHFFFAOYSA-N 444.469 0.303 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 812944765 ULFDQSJOMFSJJN-UHFFFAOYSA-N 437.526 0.614 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)N3CCCCC3)CC2)cc1OC 818364907 WTCHRJZPLSUDCO-UHFFFAOYSA-N 433.509 0.688 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cncn3)nc2)cc1OC 825867939 JPUPBMLTWNKGFU-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNc2ccccc2OC)c1 913476848 FVSURYGVIYZYDZ-UHFFFAOYSA-N 436.490 0.493 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267583 XFHASPNMYFBVQE-MRXNPFEDSA-N 445.499 0.926 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 916267600 YHMZTKLPVZLWEI-UHFFFAOYSA-N 431.472 0.537 50 20 ICGD COc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)ccc1OCC(=O)N(C)C 916641582 UVPGZYGCAXFHNS-SFHVURJKSA-N 428.511 0.043 50 20 ICGD O=C(NCCOc1ccc2c(c1)OCO2)NNC(=O)c1csc(N2CCOCC2)n1 916647220 UNPSKWZRVYCCFH-UHFFFAOYSA-N 435.462 0.731 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCO[C@@]2(CCSC2)C1 1324058880 CZLIOSDVUQENHD-PXAZEXFGSA-N 427.552 0.978 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn[nH]c1)C2 1778091058 LPZQTNOIZZKJLR-BVTBEYEISA-N 441.492 0.671 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1780710141 JPVBCNVDPDNBBR-PCHOHSICSA-N 449.335 0.335 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nn1C 1782212167 LIVUGFHPBNTQLH-XMSQKQJNSA-N 448.568 0.483 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1783867913 CIXPPWHKBJUOOR-NJSLBKSFSA-N 433.933 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1noc3ccccc13)CCO2 1783933834 IDSPPMCLJBIPFR-JOCHJYFZSA-N 443.504 0.573 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(N(C)C)cn3)[C@H]2C1 1785749683 FDCMIJDXDKALFE-IEZWGBDMSA-N 446.552 0.114 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)[C@@H](F)Br 1789920853 ASQGGPGMPWMOQL-PWNZVWSESA-N 438.363 0.705 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)N1CCN(C)CC1 1789923595 WRPYAHJZFHGONI-YXMSTPNBSA-N 449.365 0.293 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)[C@@H](O)CCl 1792975337 OCKFITRPSFPIES-KPEUIFRASA-N 425.869 0.717 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)cn1 1794340438 QFZBHGCLSBUXES-DJBIQUGXSA-N 431.262 0.769 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)cn1 1794749039 AWVVMQFKQGHYPH-QVHKTLOISA-N 429.926 0.991 50 20 ICGD N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc(Cl)c1 1796187000 FSHIGZJDIKFQIC-YRPNKDGESA-N 441.724 0.972 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)C)C2 1796439700 XPIDIAQUSSQAOX-MWOJSLNISA-N 433.509 0.117 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1800759888 OHBKXCADIMLXRW-KFRQHLNQSA-N 429.267 0.790 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1800977527 ATEMIMZWNOAZED-OQMKEHIESA-N 426.857 0.755 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359554 AXCGGZSXFHCSTJ-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363595 MSNARDDXCGZWBW-FPOVZHCZSA-N 437.305 0.508 50 20 ICGD O=C(CN1CCCCC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973283 FWNQIHKHUHQHSS-UHFFFAOYSA-N 441.337 0.224 50 20 ICGD Cc1nccnc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1811084025 XNRZLPZDKXEBGZ-NQIIRXRSSA-N 445.288 0.493 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n(C)n1 1813069745 BBRDJSIRPKXKDV-UWJYYQICSA-N 441.536 0.816 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cccn1 1813422930 NMLXOKDWLXBTTK-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1)c1ccc(B(O)O)cc1 1817470223 MUJVOWSCHHRHAV-SFHVURJKSA-N 434.265 0.428 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnsn1)CC2 1819793780 SNNODEAPUVIULC-MRVPVSSYSA-N 444.502 0.533 50 20 ICGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799355 AZEUURPDFYRAOF-ZYHUDNBSSA-N 444.517 0.983 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc[n+]([O-])cc1 1820029859 HEVPZJGTSUWTCY-SFHVURJKSA-N 435.249 0.343 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C\C(=O)NC1CC1)CC2 1826087623 GLBVSSHPJMODHH-WSROAFLRSA-N 448.549 0.263 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncon2)CC1 1828924132 JEVFVBVDRDWSFR-MRXNPFEDSA-N 427.465 0.615 50 20 ICGD Cn1c(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc2ccccc21 1830429141 WFPSMHQQPKQPHH-DENIHFKCSA-N 449.935 0.777 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)C1 1833306118 YOYPKMVQXBHINB-IIDMSEBBSA-N 443.972 0.747 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313512 IQOWOXTZRMZXIO-SFHVURJKSA-N 425.961 0.740 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798443 WQGKXSNWHUNHHW-IBGZPJMESA-N 439.365 0.908 50 20 ICGD C[C@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836672819 CEDZEECCAKORCL-GFCCVEGCSA-N 443.342 0.892 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716670 IGWIBVZNDPJWDG-KRWDZBQOSA-N 428.961 0.867 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838168778 GNWJXSLBLRMNRF-SGTLLEGYSA-N 433.839 0.684 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839068493 XNNZWTJKHQRPBC-RLFYNMQTSA-N 432.359 0.568 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1839963395 JIASHUUCYKQITO-MEDUHNTESA-N 431.287 0.359 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839967344 JWXQUJZNCBZGJP-MAUKXSAKSA-N 434.375 0.957 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051364 XJPZONNSCXOMRW-KIBLCYBISA-N 431.327 0.794 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3Cl)C2)C1 1840150167 HDLIKYPZRUGXNB-BEFAXECRSA-N 446.331 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840153010 AXBPGJCGVCQDAN-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840390269 XSQIQMLCCNJMQJ-YZVOILCLSA-N 443.953 0.618 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447871 JRWOGVIPWQYCBW-SJORKVTESA-N 434.324 0.361 50 20 ICGD CCn1c(-n2nc(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)cc2C)cccc1=O 1843132962 SJWHVDGFJIHPRO-MRXNPFEDSA-N 447.923 0.779 50 20 ICGD CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 14895641 GRXNFZKUOLFXPS-UHFFFAOYSA-N 445.906 0.607 50 20 ICGD CC(C)[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCC1=O 116308648 ULDKYWZRCALTBN-SFHVURJKSA-N 436.534 0.879 50 20 ICGD O=C(CCn1c(S)nc2ccccc2c1=O)NNC(=O)CNC(=O)c1cccs1 725741525 PEMDUISQEZAXDD-UHFFFAOYSA-N 431.499 0.714 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4ccnc4)nc3)cc2)CC1 728214197 MTOLZXOSGMATET-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(N3CCCC3)nc2)CC1 735117988 LTERJCNAVAHCQJ-UHFFFAOYSA-N 445.549 0.770 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)N2CCCCC2)CC1)c1ccc(-n2cnnn2)cc1 736650843 FNGSDXAFTVJSTM-UHFFFAOYSA-N 427.469 0.240 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CCN(CC2CC2)C1 739035287 LZBMVMLOOXNHJO-QGZVFWFLSA-N 435.550 0.899 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 743282580 OGZRBQJQDXHMKW-CYBMUJFWSA-N 437.522 0.493 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)NC1CCCC1 744052598 JNPMRDJCYKDCIR-UHFFFAOYSA-N 426.495 0.789 50 20 ICGD CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744951411 YCFUDRHRPRDKFD-UHFFFAOYSA-N 429.454 0.899 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)N(C)C)CC2=O)cc1 746012935 PTYWQQCAJMQIRY-ZDUSSCGKSA-N 425.511 0.372 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)s1 746386419 RWUZCHHGGJIAIF-LLVKDONJSA-N 445.339 0.452 50 20 ICGD Cc1nc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1-c1n[nH]c(C(F)(F)F)n1 747199414 NKRXKSXXPDAMJT-SNVBAGLBSA-N 438.326 0.314 50 20 ICGD Cn1c(CC(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)nc2ccccc21 747438086 OOMTUDZLGHCIDB-UHFFFAOYSA-N 436.519 0.486 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 751211377 RBBDUHWMNUJJNU-FQEVSTJZSA-N 441.469 0.019 50 20 ICGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756080798 NMMZVTOCZZWVTN-CYBMUJFWSA-N 431.474 0.467 50 20 ICGD O=C(NNC(=O)c1cc(-c2cccs2)[nH]n1)Nc1ccn(CC(=O)N2CCOCC2)n1 756657282 CVGHSIGSPJUAPX-UHFFFAOYSA-N 444.477 0.660 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 756840575 XRCKDXSXOODZSI-STQMWFEESA-N 445.436 0.894 50 20 ICGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)C(=O)Nc1ccccn1 758833053 DJTBXMDLAXMSMC-OAQYLSRUSA-N 436.428 0.167 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(CC3CC3)c2)cc1 763734268 IYRJTXFCDKWSCD-UHFFFAOYSA-N 448.505 0.008 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 763736962 NJMLUHXERCYKJE-UHFFFAOYSA-N 447.517 0.468 50 20 ICGD CCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)c2ccccc2c1=O 763785588 JDZOKZSCVHXRQN-UHFFFAOYSA-N 434.456 0.808 50 20 ICGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2C1 763803224 FOIGYHGFYFCRMP-HNNXBMFYSA-N 428.401 0.873 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 763804438 SKFANEHGZHIETF-UHFFFAOYSA-N 427.373 0.046 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1OCC(=O)NC(C)C 763819562 DBKSVMSNBGUFKX-UHFFFAOYSA-N 443.460 0.185 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Br 764002770 RUGWTZVPIDXWJG-ZETCQYMHSA-N 438.687 0.623 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2)C[C@@H](C)O1 764335800 UARMEKDUDATAEE-BETUJISGSA-N 438.506 0.371 50 20 ICGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccncc1 764354867 YZLXONVFRUREJP-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 764430617 XFYDNTJMVKZSHM-SNVBAGLBSA-N 440.172 0.969 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCn1nc(O)c2ccccc2c1=O 765324479 WXUNQPQRXOAXBU-UHFFFAOYSA-N 433.465 0.945 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)cc(C(F)(F)F)c2)n(C)c1=O 765730775 NUCKMRHSZOOTRU-UHFFFAOYSA-N 442.329 0.053 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C 768233270 MEGYXGBEILNFHM-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 768279427 OAUGZHVJUKEGBU-UHFFFAOYSA-N 432.437 0.740 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 769642941 HHOADZSUUUATLK-UHFFFAOYSA-N 430.442 0.149 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770102224 WTBQHPMENBIDJL-AWEZNQCLSA-N 449.913 0.617 50 20 ICGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)s1 771609242 XTSNYBPGKPGJMK-UHFFFAOYSA-N 445.910 0.689 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C)c(F)c1)CC2 773885082 HISJMYBXCKDZEA-UHFFFAOYSA-N 448.476 0.783 50 20 ICGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1 779140582 NAPMJPCHTTXTLH-UHFFFAOYSA-N 433.244 0.512 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 783426617 ICJIYMDIXUMNHG-QHRIQVFBSA-N 442.513 0.576 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCS(=O)(=O)C1 783427168 MGFGKIXQBNJJCQ-LJQANCHMSA-N 429.458 0.882 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)ccc1Cl 792020771 FNQOBDKPMFRONS-VIFPVBQESA-N 428.820 0.633 50 20 ICGD CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 793022294 UGJSGUPFEBMPHG-SNVBAGLBSA-N 426.451 0.413 50 20 ICGD CC(=O)N(C)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797368546 DERPHITZMQESEW-UHFFFAOYSA-N 441.444 0.682 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cncc(OC)c2)c1 799121090 SWAWRXDZZUCYIF-UHFFFAOYSA-N 442.519 0.744 50 20 ICGD C[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N(C)CC(F)(F)F 806873387 WHHAYVPEYDHEBX-GFCCVEGCSA-N 438.476 0.343 50 20 ICGD COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)c1cnccn1 811678468 DRWROQBIIXVOEJ-UHFFFAOYSA-N 429.252 0.578 50 20 ICGD Cc1c(NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] 812985174 KLVSCHMWEWKNOG-UHFFFAOYSA-N 426.433 0.917 50 20 ICGD Cc1ccccc1C(=O)NNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 821132530 RWBOGFSURMYBHE-UHFFFAOYSA-N 431.470 0.872 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nncn1C 916580611 LFEASEDTXJIHMG-CYBMUJFWSA-N 435.510 0.695 50 20 ICGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918084616 GURGPJZOMNACAI-CQSZACIVSA-N 439.538 0.720 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2)cc1 919687301 PRPIFAOIHFSZNY-DLBZAZTESA-N 443.591 0.888 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 919694240 QHHDYWZLYROEMC-GXSJLCMTSA-N 434.301 0.928 50 20 ICGD COc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1N1CCNC1=O 1318765095 YKVRVHWNAHSGQM-UHFFFAOYSA-N 439.476 0.692 50 20 ICGD COc1cc(F)cc(F)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 1321214777 GIMOGJKAIPQBAB-UHFFFAOYSA-N 449.295 0.962 50 20 ICGD CC[C@@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091223 MCIMFDKPJDTFAT-GZLZXURSSA-N 446.552 0.632 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=COCC1)C2 1779375407 NKBDCISEFSDKAZ-DYESRHJHSA-N 429.477 0.117 50 20 ICGD O=C(O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)ncn1 1781325868 JMMXRXBLFPIPLG-NHYWBVRUSA-N 431.218 0.309 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1781474053 BXHPMOFRJMEHKW-BDJLRTHQSA-N 425.382 0.788 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4ccoc4c3)C2)C1 1782324071 KMCBVHNBVULKEL-QHCPKHFHSA-N 434.257 0.870 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3Cl)[C@H]2C1 1783370272 ZTNRRTPRXILFKK-BPUTZDHNSA-N 437.928 0.701 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783870694 FTLYEAKGLNGBQN-HZUJVAHNSA-N 441.956 0.861 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cccnc3n1)CCO2 1783936229 SJTQAPAUAVCVHR-QFIPXVFZSA-N 440.504 0.446 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)N1CCN(C)CC1 1786409096 ZAKMXWZXNJKNEM-QZWWFDLISA-N 445.402 0.387 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981922 POQOHSORJDAUNU-DCPHZVHLSA-N 442.252 0.118 50 20 ICGD Cn1ncc(Br)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787777751 XDMQOGRZFLJCBP-DJIHRAIXSA-N 449.733 0.376 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789870615 QRIUWUHKACECKC-GLRLOKQVSA-N 438.352 0.354 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1792868846 RWIFLCLUQKPFLU-GUIRCDHDSA-N 426.311 0.620 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2)[C@H](O)CCl 1792978510 DWARMRFZMAMEMX-RDBQEKCUSA-N 441.824 0.126 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1794141619 UEXKALMQKCDTHQ-NDKCEZKHSA-N 444.916 0.865 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)[C@H](F)Cl 1796367819 WZNQMBNCOFNYOB-XCCSTKFXSA-N 430.889 0.016 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1799275067 JRMBLDKWLQBOHC-VNQAHTJGSA-N 435.377 0.839 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2)[C@@H](F)Br 1799349295 WCBRFNQFBBXIJG-NOXHYTERSA-N 440.273 0.552 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)n(C(C)C)n1)C2 1800974419 WCFZARIEAQJGCM-OQMKEHIESA-N 442.900 0.619 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1)C2 1800981014 KPBMJBRHWHEJSA-ZBURPKILSA-N 430.929 0.809 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082394 IRNAKMCGRZMQPT-QASQDZQESA-N 440.880 0.660 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(=O)cco1 1806125076 RVLZBHWVUWBKLC-UWJYYQICSA-N 447.256 0.348 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)c1 1807365155 RSMFMHLXQVUZCH-YLJYHZDGSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369796 VWTVRODHECUHKF-MJGOQNOKSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C2=COCCC2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375183 PSLXFGKSJBAWPE-RXVVDRJESA-N 435.289 0.775 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1808294660 BCPQWGMSTAHCKI-DZASIIFFSA-N 444.363 0.917 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3ccc(CO)o3)CC2)C1 1809971095 LXSOPQDNSHZLQP-UHFFFAOYSA-N 426.278 0.610 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)C(F)(F)Cl)[C@H]1c1cccnc1 1813212290 UVWMABDZMBNWOP-GDBMZVCRSA-N 437.639 0.913 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(Cl)Cl)CC2)c1cc(=O)n2[nH]cnc2n1 1815333182 JIDUSTPLTUAMIS-ZCFIWIBFSA-N 442.288 0.904 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)O1 1815357123 ZEHLMZSSBBJWKZ-DIOULYMOSA-N 429.307 0.616 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ncccn2)n[nH]1 1815998429 MNVBBIKNDOEFLU-INIZCTEOSA-N 449.475 0.747 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1)c1cc(=O)n2[nH]cnc2n1 1817117531 KNWDRVZQHSBTBI-KGFZYKRKSA-N 425.833 0.634 50 20 ICGD CC(C)(C)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817278725 RSBHNARMLANEFS-QGZVFWFLSA-N 427.314 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCO1)CC2 1819791043 LXHIVZXIZOELLT-ABAIWWIYSA-N 444.517 0.937 50 20 ICGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)n1ccnn1 1821726661 JIUDOTBGCJJCME-UKRRQHHQSA-N 431.501 0.628 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822367241 JRBXULBTBLOBPA-ZMLRMANQSA-N 426.861 0.254 50 20 ICGD O=C1CCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826726172 SGCPPZAIUPXXMK-FQEVSTJZSA-N 441.337 0.222 50 20 ICGD N#CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828803221 LCCCWODRMGBTBO-DYESRHJHSA-N 448.907 0.952 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1830008591 BZHRWMKRSJTCDF-BEFAXECRSA-N 446.386 0.958 50 20 ICGD O=C(CC1Cc2ccccc2C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738434 PMSNNJOLMXPOKB-DENIHFKCSA-N 436.936 0.848 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1ccnc1 1830975570 YLLQIWUKQQUXCU-YOEHRIQHSA-N 429.315 0.686 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873614 PMPOYYISKCAOPB-ZDUSSCGKSA-N 442.362 0.276 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835993159 OCMCNVIQEDPREM-GOSISDBHSA-N 442.310 0.090 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837334547 SALNQIKKRDOYCO-SYNHAJSKSA-N 425.913 0.543 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837814988 KILOXCCXDGLDCH-QGZVFWFLSA-N 428.283 0.642 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845159 RGHDWZAPCMXBTM-AWEZNQCLSA-N 432.363 0.642 50 20 ICGD O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838026571 SZNGTLZVYINUSP-YLJYHZDGSA-N 449.895 0.141 50 20 ICGD CCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198310 XUDWMACAIOFLKW-XJKSGUPXSA-N 434.262 0.998 50 20 ICGD O=C(Cc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199845 WQQFVUZXSCGYAU-WBVHZDCISA-N 430.274 0.771 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839648422 KWNIKJZTGSCKBL-SEZUTPLYSA-N 432.315 0.266 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839963465 LEYYIEIXLAQKOZ-KSSFIOAISA-N 443.294 0.883 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840031635 XUTIFGMBJXXVNP-MEDUHNTESA-N 429.271 0.036 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840032134 OGYWUVSRFGWBEP-IAQYHMDHSA-N 437.360 0.243 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841064966 CWJFYRWFPJOELE-HNNXBMFYSA-N 437.504 0.507 50 20 ICGD COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415977 KQFBPQWZVZREOU-BUVRLJJBSA-N 441.492 0.481 50 20 ICGD CC(C)(C)n1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1844804713 GFNUAWPKVSEPDI-UHFFFAOYSA-N 426.481 0.162 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCBr 1847513197 LLNIZVUGDNLOFM-AVGNSLFASA-N 434.331 0.859 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCn2c(=O)n(C)c3ccccc32)c2ccccc2c1=O 14221527 KACOMCSMBYBJFW-UHFFFAOYSA-N 434.456 0.921 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 28195576 AGWDJOMXZUFUPQ-UHFFFAOYSA-N 433.486 0.807 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1OC 729294885 SPSREBSIHYHNFR-UHFFFAOYSA-N 427.369 0.205 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 733170514 ZUWNPPQRSYUQOA-UHFFFAOYSA-N 443.485 0.872 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNC(=O)c3cnn(C)c3)c2c1 735445218 OWKSKONDULEKCC-UHFFFAOYSA-N 446.489 0.779 50 20 ICGD CCn1c(CCC(=O)NNC(=O)c2cnn(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 735446340 QMJLVIXWOFCCGR-UHFFFAOYSA-N 447.521 0.434 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3cnccn3)c(Br)cc21 741647464 DCDUZZOMMOXTGU-UHFFFAOYSA-N 441.267 0.053 50 20 ICGD CNS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)Cc3cc(O)nc(O)n3)o2)cc1 743446179 QDSQGFZFJVYJBF-UHFFFAOYSA-N 431.430 0.749 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 746555447 BFFFLZDTHMXIPH-UHFFFAOYSA-N 431.449 0.918 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 747491017 FDHQOGWZWLIYIF-UHFFFAOYSA-N 433.490 0.176 50 20 ICGD Cn1ccnc(NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1=O 747941903 RLNYSIHNSDCOGV-UHFFFAOYSA-N 430.284 0.355 50 20 ICGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 751209041 KJTBCMGWEMKVNL-UHFFFAOYSA-N 440.478 0.543 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 753659609 GYFDJHASXTXWNC-UONOGXRCSA-N 428.511 0.465 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(Cl)c1Br)N[C@H]1CCS(=O)(=O)C1 755002082 LIMSIZVOWMABHZ-ZETCQYMHSA-N 446.732 0.782 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cc(C(N)=O)ccc2F)cc1 756068296 XZADBHHPLDAAJL-UHFFFAOYSA-N 437.453 0.706 50 20 ICGD O=C(NNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)N1CCCC1 756820672 VKRPSYITDRFAIP-CQSZACIVSA-N 437.294 0.710 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 756834247 DECQSVXZTJQRFK-UHFFFAOYSA-N 430.465 0.590 50 20 ICGD COC(=O)c1ccc(NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(OC)c1 757181590 RWVWKDNXANSAGF-UHFFFAOYSA-N 426.437 0.674 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 757863099 NPHFSLROUUESFN-ZDUSSCGKSA-N 440.478 0.962 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1OCc1cn2ccccc2n1 758045856 QANMRUMVOGHTTJ-CYBMUJFWSA-N 431.474 0.612 50 20 ICGD C[C@H]1C(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccc2N1C 758523959 QLERCBKUDVHETE-NSHDSACASA-N 445.339 0.903 50 20 ICGD CNc1nnc(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)s1 759955679 PCYQWLXRFBOWCY-UHFFFAOYSA-N 437.957 0.741 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1-n1cnnn1 763617350 YILHQTLFPKLEDL-UHFFFAOYSA-N 446.427 0.927 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 763681145 KYDBUNICKCLRON-UHFFFAOYSA-N 446.439 0.246 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c2ccccc2O1 763784277 FDAXCBNFSNHCKN-CQSZACIVSA-N 428.470 0.538 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763999480 XFCPZMSNESFZFA-SNVBAGLBSA-N 432.296 0.532 50 20 ICGD Cc1nn(CC(F)(F)F)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 764181970 AALISPYOLAJIRV-CQSZACIVSA-N 442.350 0.898 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 764435744 CPNXTPXNXIVRTH-UHFFFAOYSA-N 428.536 0.771 50 20 ICGD CO[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOC1 764811648 UMALQYDOGRWRLC-GOSISDBHSA-N 426.495 0.221 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)n(C)c1=O 765732026 UBGMPYXPVPQWCT-UHFFFAOYSA-N 443.222 0.341 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(Cc2ccccc2)nn1 765736477 TWQKTXUPWNRPHA-UHFFFAOYSA-N 447.499 0.545 50 20 ICGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 767443543 ZUQZXNYBVPNJKM-GFCCVEGCSA-N 443.526 0.671 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767852580 ITRJQWCUSBWVKP-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD COCCN1C(=O)/C(=C/NNC(=O)[C@H](C)Oc2cccc(Cl)c2)C(=O)NC1=S 772180431 XCKXYKDECFYHMS-YWEFTTLKSA-N 426.882 0.502 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783428121 UEKMJDHHKWIPQE-QGZVFWFLSA-N 446.551 0.365 50 20 ICGD Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998589 DFPQKBGJJJWSOE-UHFFFAOYSA-N 443.504 0.766 50 20 ICGD Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784003360 UTGOFWXILQTKPX-AWEZNQCLSA-N 443.504 0.575 50 20 ICGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003847 PSLUGCYZLHDVBK-UHFFFAOYSA-N 434.430 0.059 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785068136 UQTZQSKDAOTHKI-UHFFFAOYSA-N 433.432 0.336 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)NCCC#N)N(S(C)(=O)=O)CC2 787359200 ZSXTXZVNBKWVIW-CQSZACIVSA-N 439.494 0.197 50 20 ICGD CN(c1ccc(OCC(=O)NNC(=O)C(C)(C)O)cc1)S(=O)(=O)c1cccs1 787947770 VHTXMTAACQGUKL-UHFFFAOYSA-N 427.504 0.870 50 20 ICGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 788897827 ZSRFWLVBVJBVOI-CQSZACIVSA-N 439.538 0.672 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nc1 797652829 RFZNPEDWLVBIKR-UHFFFAOYSA-N 441.491 0.202 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 801106458 VJSKDNBAVVVGGQ-ZDUSSCGKSA-N 429.458 0.320 50 20 ICGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)CSc1ccccc1O 802942652 ZDASPLRFBVCLHJ-UHFFFAOYSA-N 435.487 0.487 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 815566320 PWJOXJSYBDLYQZ-GFCCVEGCSA-N 439.428 0.913 50 20 ICGD O=C(NNc1cccc(Cl)n1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 815726826 WALQTLHDNLTSEX-UHFFFAOYSA-N 446.895 0.879 50 20 ICGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)=NN1c1ccc(F)cc1 913081363 LDWCPJZROBVKTC-HNNXBMFYSA-N 437.391 0.356 50 20 ICGD Cn1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)nc1=O 915057889 JUPSUIWVHZGFHZ-UHFFFAOYSA-N 449.470 0.423 50 20 ICGD Cc1ccc2c(O)c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cnc2n1 915107515 DXKSTMFRFAOEOP-UHFFFAOYSA-N 429.458 0.969 50 20 ICGD NC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915906322 ALIMFZIHMMTWFO-UHFFFAOYSA-N 447.473 0.273 50 20 ICGD COc1cccc(C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n2nnnc2C)c1 916144731 KJKVHHFHKBLHJD-GOSISDBHSA-N 448.447 0.211 50 20 ICGD O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)NNC(=O)c1ccccc1O 916649951 XTQFRIOEMGLRHQ-HNNXBMFYSA-N 448.501 0.994 50 20 ICGD Cc1ccc(C(=O)CCC(=O)CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1 919884521 GSXPXXSFKZFZDU-LBPRGKRZSA-N 429.520 0.886 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)COC(C)C)N(S(C)(=O)=O)CC2 920429141 ITFFXUDUHYDLCW-HNNXBMFYSA-N 443.522 0.525 50 20 ICGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)C2)cn1 1318626572 SLLCNNHKVPGFCI-GOSISDBHSA-N 440.552 0.542 50 20 ICGD CN(C)N(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1324100559 HNCCRCPFZZDHFG-ZDUSSCGKSA-N 428.536 0.073 50 20 ICGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1cncn1-c1ccccc1 1337500055 KUQXCPPDLDGHPD-UHFFFAOYSA-N 442.501 0.936 50 20 ICGD O=C(c1cn2ncccc2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1777953301 NFKLMOSKFMKJSP-CZUORRHYSA-N 426.246 0.863 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779381958 JCTGBSMVTXOBIR-HBUWYVDXSA-N 434.990 0.238 50 20 ICGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)CC1 1781226903 CLHWBTJRIXZIBW-RBUKOAKNSA-N 435.396 0.690 50 20 ICGD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1[N+](=O)[O-] 1781302109 FUXGSZSNCDTBFA-QFBILLFUSA-N 425.869 0.875 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1783880743 KMKOSGABVVKQLW-QAPCUYQASA-N 427.841 0.998 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=COCCC3)C2)C1 1784001773 LXPRQISRUOHUHX-CPOKCXMASA-N 429.477 0.645 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784980882 BDBQMIRVOQAPHO-XPCVCDNBSA-N 443.342 0.748 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786401131 QGKFZENUFSJTEN-UBHSHLNASA-N 439.310 0.559 50 20 ICGD O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787436835 NBUNAHUCNOIGTJ-FTYOSLGDSA-N 431.205 0.767 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCSC3)C[C@@H]21 1788611358 WWCBTAXUQOAYGU-DACLVMHWSA-N 447.561 0.422 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1790958265 NYVCFIDUZJBEII-MNXVOIDGSA-N 427.299 0.949 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799150277 UTGXPKRSHTUBBD-VHPSDLRFSA-N 446.317 0.668 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccc2[nH]1 1799891132 DVCHBCLHHNJHGD-DBWKPXFBSA-N 449.471 0.078 50 20 ICGD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800334567 OEFURMGCAPODSG-DVFMFOFASA-N 432.427 0.596 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCCCO)cc1)C2 1800978669 HMTVIZHSEMCQDI-NBMJBFSESA-N 440.924 0.905 50 20 ICGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1F 1801709464 LCDJKLFLPBAKMV-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1805385331 WNZCBVTXRGSCAG-YJBOKZPZSA-N 446.386 0.899 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805545805 UKGZPQXGTUOYOM-HXUWFJFHSA-N 427.354 0.696 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365697 YOIKUJMACLBOBG-XLIONFOSSA-N 431.261 0.185 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)o1 1807468748 IHBCNKNWGFQESK-UTKZUKDTSA-N 449.276 0.015 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cn4cccnc4n3)CC2)C1 1809972669 ZFZMHNPBWUSWBV-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cccc(F)n1 1810754489 RXDXNBISKUHMCN-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)[nH]n1)[C@H](O)CCl 1814877953 PBGZDWHQZWQGNY-VHSXEESVSA-N 425.795 0.680 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819364498 WOZCTTPVEXLWLW-ROUUACIJSA-N 440.309 0.969 50 20 ICGD CCC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)COC1 1819800065 KILYMVILPKRUNL-LLVKDONJSA-N 444.517 0.794 50 20 ICGD CN1CCN(C2(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1824183986 GBQAVRGGOYOTNW-OALUTQOASA-N 441.016 0.986 50 20 ICGD CSCC[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826125469 CMJUQLSKXCAPFL-UKRRQHHQSA-N 449.363 0.163 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826841564 YILSOLBVNWBBOG-DQLDELGASA-N 429.370 0.973 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830369788 BLJAXMCIHFSOGV-HXUWFJFHSA-N 425.913 0.929 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1830537641 LQOYUSYWLASLNZ-SUMWQHHRSA-N 427.299 0.578 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccnn2)CC1 1831877506 ZNXUDDBOZQQTNE-GOSISDBHSA-N 446.552 0.848 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1833264646 MLZTUGLHCPINFT-ZIAGYGMSSA-N 443.386 0.725 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccn1 1834126475 RIHKXCWVBQJMNH-UHFFFAOYSA-N 436.321 0.260 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834584213 QEOGYRVYAJJZMB-KRWDZBQOSA-N 428.283 0.642 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1834822122 ALEPRCLYJIOTOD-IEBWSBKVSA-N 441.322 0.961 50 20 ICGD CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826376 NAUDLFYEWZTBOK-CJNGLKHVSA-N 439.372 0.342 50 20 ICGD NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835083997 FJJAKOWQIPMBCX-HNNXBMFYSA-N 426.880 0.295 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508313 VIBIXLVQNGWUES-BONVTDFDSA-N 446.258 0.171 50 20 ICGD O=C(c1cc2n(n1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837095839 YIBPJOPAPOBCFH-RHSMWYFYSA-N 445.289 0.590 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255017 ZNQOLXORCBWJLE-WFRZBGSESA-N 448.347 0.514 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1838211501 RQXXXMFHGNFDNF-UGSOOPFHSA-N 441.326 0.886 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839962329 BDKLCNHIVBNYNE-PXAZEXFGSA-N 445.314 0.369 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3c(C)noc3C)C2)C1 1840149997 CTDKVTGPVQYLAI-FXAWDEMLSA-N 443.928 0.934 50 20 ICGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cn1 1840465547 DPPGXNZKUUXTLP-GDBMZVCRSA-N 433.278 0.110 50 20 ICGD COc1ccc(COCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1846452543 RKTRHJNKWYNQAY-UHFFFAOYSA-N 438.289 0.409 50 20 ICGD COc1cccc(N2C[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)CC2=O)c1 1847214489 TUEIFAXJGKCPIH-MGHWNKPDSA-N 435.908 0.850 50 20 ICGD Cc1cc(NC(=O)CSCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)no1 15939966 PHQWIEKYYWGSIS-UHFFFAOYSA-N 430.446 0.363 50 20 ICGD CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc2c1C 728170573 GVWGWWJYKLBWOZ-UHFFFAOYSA-N 428.492 0.616 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c[nH]1 729298748 UFIJXODIUPALSD-UHFFFAOYSA-N 430.424 0.947 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)c2ccccc2c1=O 730068332 MVPKMCWLFLMDBP-UHFFFAOYSA-N 428.449 0.461 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 731344504 NOTCGTOQTZXGPM-UHFFFAOYSA-N 426.495 0.895 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1cnn(-c2ccccc2)c1 733106655 ISIVCPBYBOWAIK-UHFFFAOYSA-N 445.457 0.561 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccc(Cl)nn1 735689093 KFJVYUOLRPBJRZ-UHFFFAOYSA-N 427.870 0.916 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CSCC(=O)N1CCOCC1 740927856 UCGUNOSXFLMKQG-UHFFFAOYSA-N 444.579 0.799 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)C[C@H]2SC(=N)NC2=O)c2ccccc2c1=O 742476714 ICUDJEGUBGSJKY-CYBMUJFWSA-N 430.490 0.904 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 744588046 VTAOCAJAVPSQBF-UHFFFAOYSA-N 444.469 0.380 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nc(-c3ccncc3)no2)cc1 746201047 IUEBTCZEFNYDIO-UHFFFAOYSA-N 446.445 0.730 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCOC2=O)cc1 748582594 FHBVKIYYXVNLFK-UHFFFAOYSA-N 432.462 0.068 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCc3nnc(C)n3C2)c1 750714144 KROAGWYQFCFIRK-OAHLLOKOSA-N 434.522 0.641 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C)o1 752527958 SFAWDOIRNFJSTF-CQSZACIVSA-N 437.474 0.591 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)nc1 753361174 YXTOXSWXLSLPQS-INIZCTEOSA-N 447.521 0.985 50 20 ICGD O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836439 VONDDDVRGHRARA-UHFFFAOYSA-N 436.856 0.627 50 20 ICGD NC(=O)c1ccc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 757391142 BANNMLBKJPFTIF-UHFFFAOYSA-N 444.517 0.608 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)NCc1ccco1 761283252 QGZHLBZNJMFTJO-UHFFFAOYSA-N 432.480 0.743 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)nc2)c1 763507717 BRHTYQNGTNEHTE-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)c1C 763536881 WUIISKOJSAAWQU-UHFFFAOYSA-N 429.458 0.784 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccccc2F)n1 763921865 QBZKAVLQNQSFHA-UHFFFAOYSA-N 449.406 0.695 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1 765242870 NZLFCYSQFYZNTE-SNVBAGLBSA-N 427.439 0.633 50 20 ICGD COc1cc(C#N)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766259326 XVFHDZZAMXFBPT-UHFFFAOYSA-N 445.457 0.217 50 20 ICGD CCCc1noc(CCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 766645037 YMRBPJKUASDAEN-UHFFFAOYSA-N 442.520 0.950 50 20 ICGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 777142948 DWUSSQRFXFONBV-VIFPVBQESA-N 435.300 0.090 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)n1 782117815 PRFJURBDVIHILU-UHFFFAOYSA-N 426.477 0.836 50 20 ICGD Cc1ccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)cc1 783348577 MQJDMDUAVGSBHP-UHFFFAOYSA-N 439.515 0.895 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ccc(C)nn1 783953369 UXHIDPHEQPCXEN-UHFFFAOYSA-N 432.506 0.848 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2ncc(F)cn2)c1 784950484 QUQFDYVFWRPSDT-UHFFFAOYSA-N 440.457 0.737 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 785022907 AYAXGQRCUJWGAK-GFCCVEGCSA-N 430.373 0.868 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)n(-c2nc3ccccc3s2)n1 793044084 ZGTORGTXVPZSSA-GOSISDBHSA-N 448.530 0.927 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F 806977995 HXVZMJAHCYTGGB-LURJTMIESA-N 430.792 0.382 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)COc2cc(C)ccc2C)cc1S(N)(=O)=O 812429559 PGGBANBFKLKJSY-UHFFFAOYSA-N 436.490 0.869 50 20 ICGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)c2C)c1 815691424 PNSAYRVIOQXXLS-OAHLLOKOSA-N 436.476 0.738 50 20 ICGD O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 821135925 WGJSOARPDHNTRU-LURJTMIESA-N 432.263 0.646 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=S)NCCc2cccs2)cc1 838823773 HSPYSFRMEIHJQP-UHFFFAOYSA-N 440.572 0.967 50 20 ICGD C=CCNC(=S)NNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 913435773 QNPQNVGAVFPGJL-UHFFFAOYSA-N 445.523 0.685 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 915906297 YRUJIVBSPUPPAL-UHFFFAOYSA-N 433.465 0.659 50 20 ICGD CS(=O)(=O)Nc1cccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 916246371 FOHUWLXQXCHVFC-UHFFFAOYSA-N 437.434 0.876 50 20 ICGD COc1ccc(C(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)c(OC)c1 917836484 QQDQRJINUXSWAN-UHFFFAOYSA-N 426.473 0.923 50 20 ICGD CCn1nc(C(=O)NNC(=O)[C@H](C)Sc2nnnn2C2CC2)c2ccccc2c1=O 918409280 JCOGMJMHBSNQBU-JTQLQIEISA-N 428.478 0.680 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@@H]2CCOC2)CC1)C1CCN(c2ncccn2)CC1 1320038382 REDDDNWMHYDGMX-MRXNPFEDSA-N 432.525 0.951 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778031164 QXLKXEQXJOYKQT-QWQRMKEZSA-N 427.864 0.347 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C(F)F)n1 1780309802 FAFAXILZBUZZNS-FQEVSTJZSA-N 448.235 0.024 50 20 ICGD O=C(Cc1c(F)cccc1F)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780799296 YEFUFBXCXXUKNH-QFIPXVFZSA-N 444.243 0.331 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)C(C)(C)CCl)CCO4)C3)CC2)CC1 1781105899 JJUKQOPWAQATED-HXUWFJFHSA-N 426.989 0.861 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781997553 BOJOFVVMTSUIQA-KYZVSKTDSA-N 430.343 0.974 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783354625 DGUUADBRZKYAFA-HZMBPMFUSA-N 444.248 0.668 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1783973177 UDGLCIXNYBZWEQ-AJNGGQMLSA-N 441.326 0.254 50 20 ICGD O=C1Nc2c(cccc2C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)C1=O 1784091841 DUKGFFZTOXQDPQ-HJPIBITLSA-N 435.864 0.014 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1786224380 ZBDNTPQMKXRFQL-KNBMTAEXSA-N 441.293 0.385 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986638 SPYYPYNOLHMFCQ-SVXFZJLFSA-N 448.328 0.763 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2ccoc2c1 1787350657 XHMACHYJEJZLJB-XERREHJYSA-N 449.272 0.415 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c(OC)c1 1789469064 VFWCDTLPYVBBON-RPZXMPESSA-N 426.897 0.897 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1792871913 DCIGUEIMJHMLQM-ZJOBFFGXSA-N 430.343 0.620 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1792872237 SYSFRXGCQGWGSG-MWGHHZFTSA-N 444.248 0.286 50 20 ICGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1795111373 FSHWQCUCVMNKHR-XOIINTDNSA-N 439.310 0.186 50 20 ICGD COc1nccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1F 1796352004 NSFAVKLYMQDXAB-MUJYYYPQSA-N 427.241 0.475 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)CCOC1 1796367626 KRHLYECPIGKVCU-QEAYJNAZSA-N 449.907 0.794 50 20 ICGD CC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439571 MBMTYDFKDARFBV-QUSGHSACSA-N 431.493 0.325 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)[C@@H](O)C1 1799199238 JMXOAILFTFYOSH-JLZCTACVSA-N 449.907 0.338 50 20 ICGD CC(C)NC(=O)OC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1799907049 JSWRXKLPSLDRJG-BCDXTJNWSA-N 445.325 0.531 50 20 ICGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](F)Br)C3)CCC2 1800047504 GFEIGEBPGDLVGL-FJHTZYQYSA-N 429.290 0.803 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373918 DQMIVNJSYGTIMU-CTNGQTDRSA-N 446.272 0.028 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807618545 VSTRYAVURTVTLY-YCPHGPKFSA-N 436.314 0.948 50 20 ICGD N=C(N)SCCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809759781 ZYMFAAJXCVSRDE-UHFFFAOYSA-N 447.565 0.547 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)[nH]1 1813068103 IILCOPWLAXIVDC-OXQOHEQNSA-N 427.509 0.806 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CC[C@H](O)CC1)CC2)c1ccc(B(O)O)cc1 1815348624 UCXUMQRJFVNTSC-FVQBIDKESA-N 443.334 0.600 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)c1ccc(B(O)O)cc1 1817472277 PRGFJYOVJMLXNT-INIZCTEOSA-N 436.237 0.205 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1cc(O)no1 1819872309 FZPYOJRWDUILDM-AWEZNQCLSA-N 425.210 0.403 50 20 ICGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1ccnn1 1824695165 NIHGCCWUTXASJE-RYUDHWBXSA-N 434.526 0.281 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053250 HFUUGNSKLYXCNS-DYESRHJHSA-N 429.370 0.940 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827054757 LNWINBQDXNAFPA-FQEVSTJZSA-N 438.337 0.956 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)C1 1833306119 YOYPKMVQXBHINB-RKVPGOIHSA-N 443.972 0.747 50 20 ICGD CCC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1833532171 GLBYHNMANHKUKW-DLBZAZTESA-N 429.993 0.558 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834609451 RDFKBGMJCPRBCP-KDOFPFPSSA-N 443.294 0.883 50 20 ICGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)CC1 1834623958 XUIOATDSTJAYJU-IBGZPJMESA-N 431.984 0.730 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1834771724 XJVARSZXZYGSHZ-IDOMTICXSA-N 433.299 0.347 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1834823931 NOHOXVIHOARVPG-INIZCTEOSA-N 432.271 0.022 50 20 ICGD CCCCC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939787 HVHPWASHNMILCM-MBSDFSHPSA-N 446.353 0.653 50 20 ICGD O=C(c1cccnc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837420641 JQYWVWKJQZICNV-UHFFFAOYSA-N 437.305 0.687 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1837713007 CMLZSMQXCZAENB-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376667 HLXLNUBXSCPXSZ-BDJLRTHQSA-N 429.271 0.036 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652327 ZZNRPHYDSDPDMW-DNVCBOLYSA-N 426.901 0.589 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840032092 NQIAVNBPTLMCLY-ZUZCIYMTSA-N 433.328 0.579 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840345084 VQXFBVZCBBHMIE-XQFNTFOASA-N 427.299 0.663 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1841924403 IDGBEQGBTBBPOD-OLZOCXBDSA-N 428.917 0.601 50 20 ICGD COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)n1 1843415956 HTSYYKNAYCVLLF-HZHRSRAPSA-N 441.492 0.481 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847956815 LZFVZYYCYISHHD-BZSNNMDCSA-N 443.309 0.191 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 12800246 QXLSRSAXQBMPGG-UHFFFAOYSA-N 439.519 0.271 50 20 ICGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(OCC(=O)NC2CC2)cc1 725872403 OKFFMCUAVNTDTK-CYBMUJFWSA-N 443.460 0.758 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1S(=O)(=O)NCC#N 726884071 VCYWFYAZKPTRRB-UHFFFAOYSA-N 440.279 0.962 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 732261683 OLKSAKGCOWVVLC-HZPDHXFCSA-N 441.550 0.896 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 735688562 ZPZVNDDKMLZSFJ-UHFFFAOYSA-N 439.472 0.594 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 741897648 HIFLXADACXKIFO-MRXNPFEDSA-N 430.486 0.799 50 20 ICGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1OC(C)C 742479989 FBEWCBMJFQQQKI-DTDBQYNISA-N 431.445 0.406 50 20 ICGD Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1 743255052 BBRZLMATCBSCJB-UHFFFAOYSA-N 446.551 0.405 50 20 ICGD COc1cccc(C(=O)NNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1O 743316485 BWCGMOHCXREXPH-NSHDSACASA-N 432.458 0.679 50 20 ICGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1OC 744847720 ZHGCZGLGVBWSKT-UHFFFAOYSA-N 440.412 0.310 50 20 ICGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 747612750 VGDHRPGCYQDGAV-UHFFFAOYSA-N 425.488 0.891 50 20 ICGD Cc1cccc(-n2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)nn2)c1 751294759 QKRMZCSPLOCTFN-UHFFFAOYSA-N 434.865 0.951 50 20 ICGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 753438935 UQICRHGALXZJKB-UHFFFAOYSA-N 427.866 0.451 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(F)(F)F)nn3)cc2)CCN1 755191370 DXRLXNIUMZIDQQ-UHFFFAOYSA-N 444.395 0.373 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756711579 LKQIKCUQIHVTIN-LLVKDONJSA-N 435.528 0.319 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1=O 757781208 PPSHJWGTHBBETR-UHFFFAOYSA-N 428.854 0.718 50 20 ICGD Cc1ccc([C@H](CNC(=O)NNC(=O)C(=O)Nc2ccccn2)N2CCOCC2)cc1 758714589 YEBYZJBYNLGJEK-KRWDZBQOSA-N 426.477 0.732 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2cccc(N3CCCC3=O)c2)n1 762684422 ZEMUTKLOZBORNK-UHFFFAOYSA-N 446.485 0.890 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2nccc(N3CCOCC3)n2)cc1 762859983 FUYMPEQWQRUEFH-ZDUSSCGKSA-N 436.494 0.132 50 20 ICGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 763468407 KAOXZUHRKZHELT-LLVKDONJSA-N 429.389 0.968 50 20 ICGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763574385 ADZHAQQXPDWFRJ-QGZVFWFLSA-N 426.429 0.752 50 20 ICGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 763629697 QYBHBPIIBSJABW-UHFFFAOYSA-N 439.428 0.984 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 763657509 OADBADGGIWWKBR-UHFFFAOYSA-N 426.385 0.086 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c2ccccc2O1 763666080 WXKDZLSWSTYTMJ-GOSISDBHSA-N 440.456 0.370 50 20 ICGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1)S(C)(=O)=O 763675313 UTIGEKJQXUEEHY-UHFFFAOYSA-N 445.457 0.119 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 763860489 HRQMDMFHQALGQX-GFCCVEGCSA-N 442.428 0.970 50 20 ICGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 763945022 RJWHALARQBZYDW-UHFFFAOYSA-N 441.375 0.903 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccn2)c2ccccc2O1 764267329 SSVHOYQOGKEJGA-QGZVFWFLSA-N 425.445 0.092 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)ccc21 778709359 FFYVWAYPVCOWIJ-UHFFFAOYSA-N 449.467 0.963 50 20 ICGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])cc1Cl 782229719 SYPNWBOMRWSVGS-UHFFFAOYSA-N 433.812 0.536 50 20 ICGD CC1=C(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@H](C)n2ncnc2N1C 791469446 UGEQNGBLZMJVRR-WFASDCNBSA-N 442.432 0.094 50 20 ICGD COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 792279215 ITTAOCBNOQNJMF-UHFFFAOYSA-N 429.311 0.218 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 803490709 JTYCTDJXNFXPLI-SFHVURJKSA-N 435.440 0.810 50 20 ICGD COC(=O)COCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 806342868 SKMSRQVWZMCVLW-UHFFFAOYSA-N 435.458 0.116 50 20 ICGD COC[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCN(C(=O)OC(C)(C)C)C1 810308529 DDVQVRKMKQFXKP-LJQANCHMSA-N 440.522 0.899 50 20 ICGD COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914777339 LRXJGMHCMWIVGY-BXUZGUMPSA-N 443.909 0.535 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)c2ccccn2)cc1C 917371392 LTAABBRVJGRECP-INIZCTEOSA-N 433.490 0.072 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)SC)c(=O)n2Cc1ccccc1 918016919 OIODKIMYWFGVLM-CYBMUJFWSA-N 444.517 0.327 50 20 ICGD Cc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)c1 1778170888 IPCCSPXLCCQMQO-NFBKMPQASA-N 437.305 0.511 50 20 ICGD CN1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)C1 1780576283 IPDSKEXGMDZCRD-NJNPRVFISA-N 437.585 0.215 50 20 ICGD CO[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1783933590 ATBVSJJELKLLNZ-IRLDBZIGSA-N 432.521 0.577 50 20 ICGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(F)(F)F 1784875634 GWBRHXPMVIHSNQ-CDTLJBMASA-N 435.212 0.970 50 20 ICGD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCCCC1 1786986694 ZHNZXXYEVYUYNR-IHPCNDPISA-N 428.338 0.930 50 20 ICGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788490945 FGMHINQNMPCIMD-HCUTYNMESA-N 427.336 0.815 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1scnc1C(F)(F)F)C2)[C@@H](O)CCl 1792976216 PSLZJEXUHWMVRQ-JXUBOQSCSA-N 427.832 0.965 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793474371 WMGZFPROQLJWKL-XGUBFFRZSA-N 432.359 0.912 50 20 ICGD N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798861602 JRZPMDKKEVZHBY-HGKCTWBKSA-N 434.456 0.074 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CCl)C3)c(=O)nc1O 1801967176 OYRJCRFTXDAKTP-AGGWBTHJSA-N 426.901 0.112 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1804979007 LEMFKOYUACNLJZ-HNNXBMFYSA-N 442.520 0.056 50 20 ICGD Cn1cccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361015 DMLXGGNFBPTKLM-RXVVDRJESA-N 432.289 0.733 50 20 ICGD CCn1nccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369088 AFBDJHSSZYGBKW-NQIIRXRSSA-N 447.304 0.611 50 20 ICGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1807374736 ILOXDXGDDOOUBS-OBUJGBQQSA-N 437.305 0.649 50 20 ICGD Cc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807376305 VFIOAPMJNNMSPG-FXAWDEMLSA-N 434.261 0.691 50 20 ICGD CCc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)nn1C 1809970973 FHMJQFDHYDWDFJ-UHFFFAOYSA-N 438.337 0.821 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cc(O)no2)[C@@H]1c1cccnc1 1810982601 HGCSSPGNGHGSEP-KUHUBIRLSA-N 430.465 0.468 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CC2)c1cccc(B(O)O)c1 1815347598 GBNMUAKDYNMCIL-HOCLYGCPSA-N 429.307 0.618 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CCCN1 1817476951 IRHOWMPEQUWGOQ-DYESRHJHSA-N 425.298 0.538 50 20 ICGD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(=O)NN)n[nH]2)c1 1819402196 UDIRUNQFBBDEEM-MRXNPFEDSA-N 437.464 0.761 50 20 ICGD O=C(O)c1cnncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1820493538 OGOAVTKJHTVIOS-HQJQHLMTSA-N 425.854 0.457 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1824490735 UGSXUDMEAGBOQR-OXQOHEQNSA-N 441.532 0.957 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)Br)sc2C1 1825641476 KVEBAGHBKQGCLE-BFHDXFOESA-N 449.327 0.903 50 20 ICGD CN(C)C(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826741012 PKBLCUYHCJEHIH-KRWDZBQOSA-N 430.509 0.007 50 20 ICGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCCC1 1829970629 NSOISNPRWZVPNV-QFIPXVFZSA-N 445.520 0.335 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1830365883 JCPQTERMLUVOSW-FQEVSTJZSA-N 440.928 0.836 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725478 ORGPSXDIWXPWJU-SJCJKPOMSA-N 436.267 0.544 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833497536 NNJYTBZXWPWVRT-KPZWWZAWSA-N 426.857 0.262 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1835835355 WQAGRXMHIZLMNM-MRXNPFEDSA-N 438.645 0.936 50 20 ICGD O=C(c1csc2c1CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836386352 QQYHTHKHEINLDN-BEFAXECRSA-N 444.937 0.743 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839143844 JAPAKJPFCKJXJZ-AUUYWEPGSA-N 427.885 0.483 50 20 ICGD Nc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cs1 1839199804 VEGZSKZVQUTTLJ-HZMBPMFUSA-N 437.291 0.486 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839963340 IELZKEAEAXSPEP-YJBOKZPZSA-N 443.342 0.972 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840033167 WNKXGRVHNGDUKD-APPDUMDISA-N 444.282 0.346 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840034004 XEYHOLRRAALNNK-DYVFJYSZSA-N 448.314 0.069 50 20 ICGD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840880962 VXKXJRCWSKHZQY-ULIAPGIUSA-N 444.843 0.807 50 20 ICGD COc1ccc([C@@H]2C[C@H]2C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010402 MENAFFXPVSMORM-LEWJYISDSA-N 434.301 0.996 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 15104172 FNFCEORSBHZKMX-UHFFFAOYSA-N 435.506 0.367 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3ccnc3)nn2)cc1 725879474 HQNQVYMKLMNSAI-UHFFFAOYSA-N 429.462 0.052 50 20 ICGD COCCOc1ncccc1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215884 KSULYPNQRVLRSC-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1OC 731186112 JLUCPRWIOPPVHM-UHFFFAOYSA-N 432.458 0.889 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474476 OMPSENZWOLKJPP-ZIAGYGMSSA-N 446.501 0.412 50 20 ICGD CS(=O)(=O)Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 734807309 ZNULIDSGMUMCET-UHFFFAOYSA-N 436.309 0.945 50 20 ICGD O=C(NNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1csc(N2CCOCC2)n1 740026526 WOMLXCSDENWZRI-UHFFFAOYSA-N 446.415 0.460 50 20 ICGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F 742486841 BBLPBZALZDQDBA-GFCCVEGCSA-N 437.440 0.986 50 20 ICGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 743830204 QCIHIWWUJQTLNG-UHFFFAOYSA-N 429.480 0.135 50 20 ICGD Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1NS(C)(=O)=O 744549570 ZESHJAXQWPDOPZ-UHFFFAOYSA-N 430.442 0.856 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 744566180 ZFLGVYIVKBWOJA-VBNZEHGJSA-N 426.429 0.426 50 20 ICGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 747844579 FNCSWESHKKHWSY-UHFFFAOYSA-N 446.957 0.473 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 748707632 AQQHPQUBCDTFQY-UHFFFAOYSA-N 440.865 0.518 50 20 ICGD CC[C@H](C)Oc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC 749444010 MBILDKSNXSCQIU-LBPRGKRZSA-N 435.506 0.907 50 20 ICGD O=C(NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21)C(=O)N1CCCC1 750936437 DUXZPBHBIDNPNT-UHFFFAOYSA-N 447.249 0.822 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NNC(=O)c2ccc(C)cc2)c1 752336207 HVGFWLUWOLMPAZ-UHFFFAOYSA-N 439.476 0.881 50 20 ICGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2 755064410 REGYYGXSSRJBSR-LLVKDONJSA-N 425.536 0.879 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755513752 DIOJKODEVQTRLM-LLVKDONJSA-N 432.524 0.351 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 755667838 PLPWJAYGWKILPJ-MCIONIFRSA-N 439.538 0.895 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1C 757722254 WPQIMYURDCPMGZ-UHFFFAOYSA-N 444.473 0.617 50 20 ICGD CNC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 758076279 QYGFYHAUTHITGL-UHFFFAOYSA-N 440.865 0.187 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 762739464 ZNUJLHVEWJYEGI-SECBINFHSA-N 443.279 0.720 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 763010688 UVQQRVXHBWCBBI-NSHDSACASA-N 444.516 0.140 50 20 ICGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc2cccnc12 763031645 VGDQMKPXESSUTN-GFCCVEGCSA-N 441.469 0.462 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 763467423 FVMYYHHJEGOTBK-UHFFFAOYSA-N 431.380 0.970 50 20 ICGD CCc1ncc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cn1 763510112 YYKBDBIACXWHIU-UHFFFAOYSA-N 448.505 0.469 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 763511403 CHEJXFFZJAVHJT-UHFFFAOYSA-N 447.473 0.274 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)cc1 763662463 YOFINYSISHEVLA-UHFFFAOYSA-N 428.380 0.580 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 763810727 AFCWHMFMNRMZNL-UHFFFAOYSA-N 441.412 0.842 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005560 AWWOHOVZMNEYMO-UHFFFAOYSA-N 428.401 0.226 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2O)c1 764117927 UTVBRKPFHYHBRQ-UHFFFAOYSA-N 434.836 0.912 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 764226070 FERFPLPZKZTOQD-LBPRGKRZSA-N 445.457 0.374 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 765387300 UNSFNYWCYHNAHG-UHFFFAOYSA-N 429.499 0.497 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1F 765737525 FXWJWIJERLNFKN-UHFFFAOYSA-N 429.408 0.953 50 20 ICGD CNc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 765738514 KOVFDGQIDLWLGT-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNc1nccnc1OC 766264369 KAZHHHUTYVWWKH-UHFFFAOYSA-N 449.367 0.869 50 20 ICGD CC(C)NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 767802895 ZRZPLSNJTLMGRF-SFHVURJKSA-N 441.440 0.969 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 768630230 VISFYHRDKZXRBG-CQSZACIVSA-N 431.474 0.662 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)nc21 770968979 QNHHMWHXYWGSJO-HBJVGIJOSA-N 443.464 0.283 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 772971426 ZRRMEWPGUMQUEJ-NSHDSACASA-N 439.877 0.828 50 20 ICGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CCc2ccco2)s1 773233508 QDTPDGNCPKRJAB-UHFFFAOYSA-N 435.549 0.765 50 20 ICGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1 773724139 MVLYCQGMLMPYGI-UHFFFAOYSA-N 434.840 0.693 50 20 ICGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 778948138 WURFCPBSOGWCEY-OIQJVACTSA-N 445.863 0.636 50 20 ICGD COc1ccccc1C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780641821 PZAIYEBRYQBDDI-CJNGLKHVSA-N 437.449 0.419 50 20 ICGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783426704 JSRABXGKSJYKGW-LJQANCHMSA-N 426.539 0.544 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Br 783998586 CVYXLZSQNJIEFC-UHFFFAOYSA-N 427.255 0.556 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786971865 ZQVLPTSELDLKLO-BLLLJJGKSA-N 428.436 0.838 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1C(=O)N1CCOCC1 787543442 WKASTKGFFXYVPO-UHFFFAOYSA-N 428.445 0.779 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2nccnc2C2CCC2)s1 805464008 QYQGKRDRENMPHB-UHFFFAOYSA-N 438.535 0.863 50 20 ICGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)cn1C 808081749 ZGGNXEXCRLYMRC-UHFFFAOYSA-N 425.419 0.108 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)c2)CCN1 812979403 ROOHVWGYMIVOPW-UHFFFAOYSA-N 441.513 0.568 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)N[C@@H]1CCS(=O)(=O)C1 813420716 LQDDHFUZQWATJP-CQSZACIVSA-N 443.547 0.681 50 20 ICGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 816830258 XYSXVTZPUZWKDB-MRXNPFEDSA-N 430.486 0.595 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)c2C)nn1 818027489 VVDADCAWFGQSLI-UHFFFAOYSA-N 448.443 0.691 50 20 ICGD CCc1noc(C[C@@]2(O)CCCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 856673028 FMHLQHOFYZLRJW-IBGZPJMESA-N 432.437 0.371 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 916253792 LIVWHAVFJMGJIC-UHFFFAOYSA-N 428.511 0.657 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3ccc(F)cc3)cc2)CCN1 916391848 JGMAEBAIRHWIQN-UHFFFAOYSA-N 427.436 0.471 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(=O)N(C)Cc1ccccc1 918002076 OJQAQYGSKKUZBE-UHFFFAOYSA-N 446.533 0.891 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1O 919958404 JCGRUPZGAZNNFS-LLVKDONJSA-N 449.441 0.462 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC 1116476976 XKXZMFQVQIMKJS-KUHUBIRLSA-N 441.506 0.774 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCOC2(CCOCC2)C1 1118166683 SRXIJBIEPMZXMP-CQSZACIVSA-N 439.538 0.960 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1320441975 BVKQZBNKUCLRPJ-UHFFFAOYSA-N 429.502 0.897 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1777705573 BMHIIQQVJCIEBX-JLTOFOAXSA-N 436.896 0.753 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3cnccc13)CCO2 1779032735 XFBULDRPDTZXLA-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1780320895 GVXJIVWRGPVQAV-DNVCBOLYSA-N 425.869 0.302 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782658587 XGCVDEXQWLCJHC-VGOFRKELSA-N 431.537 0.463 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1783878912 KHVMYJDARCZGRI-KFVVBQDRSA-N 447.919 0.980 50 20 ICGD O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)NCc1ccco1 1784090919 FIYUBQOYUODXMG-KOJYPYIBSA-N 439.896 0.031 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc(Cl)n1 1784091176 KWDNLTRZQICWEM-DEQVHRJGSA-N 432.304 0.937 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218985 QQYDVCCXAWXRGD-IMIFBBOLSA-N 444.286 0.554 50 20 ICGD CCOC(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)OCC 1791293333 WBZCDKKNUQUFHS-ULQDDVLXSA-N 442.557 0.128 50 20 ICGD Cc1ccn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c2c1 1796189269 RQTJFWZNUJUZPE-REPLKXPHSA-N 432.289 0.888 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1796439812 CRIOAZHCGDMJRZ-QQGSHNGGSA-N 437.928 0.975 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)s1 1796734239 LSKBQRMWDPOCGK-QHWVMAKGSA-N 444.517 0.789 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1Cc2ccccc2CN1)c1ccc(B(O)O)cc1 1796814645 ICRYECIAVQQAAM-CIAFKFPVSA-N 433.317 0.333 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1sccc1Cl 1798283014 DQTCXBSBQQPKQQ-YWVIFJGQSA-N 434.710 0.598 50 20 ICGD Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1Cl 1798440005 SDJYVCQPMJUEDJ-ZSBIGDGJSA-N 431.884 0.638 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCCC2)[C@H]1c1cccnc1 1802561049 WWEJAVDIUAVJID-XMSQKQJNSA-N 430.553 0.556 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803146395 NZTXAEHDSUDJNA-BCXHYRKLSA-N 427.885 0.303 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]n2)[C@H]1c1cccnc1 1803759993 AALRNBZWOWJBNL-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)[C@@H](F)Br 1808662708 QLDLCABNAKOZAW-IACUBPJLSA-N 426.250 0.465 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1810953252 IBQKUCADBVMNRZ-RDTXWAMCSA-N 429.481 0.203 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1813030705 FYZGMUKLXMTZHU-GRDNDAEWSA-N 435.916 0.674 50 20 ICGD Cc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339451 GIEMOPGHPSRXQM-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD Cc1ocnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360278 DSEDSXXNPUVRSZ-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccnnc2O)[nH]n1)c1ccc(B(O)O)cc1 1817472279 PRGFJYOVJMLXNT-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794782 CXKVGSHOOLUWMZ-MMPTUQATSA-N 445.549 0.741 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncon1)CC2 1819797811 LBBJZXCEUCDBOS-MRVPVSSYSA-N 428.434 0.064 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1828923592 NMKSBXWGHALQNY-IRXDYDNUSA-N 444.492 0.027 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1830537151 CDQJRGLIHFKJLB-CXAGYDPISA-N 427.299 0.578 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726953 XPCLAKHJJLJYGC-QFBILLFUSA-N 429.876 0.209 50 20 ICGD O=C(c1nnsc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728910 YZVBXANVDKNKQG-PXAZEXFGSA-N 430.914 0.085 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831658284 SZAOUBAOOKLTAL-JXFKEZNVSA-N 429.945 0.863 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1831837454 UJRCHPGJUYIBAD-JKSUJKDBSA-N 425.913 0.785 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833040291 CBZOVWKSZNEWAQ-RDJZCZTQSA-N 447.305 0.647 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1834769558 LGXMSGLOUBXGKD-FHWYHTKLSA-N 447.326 0.593 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822205 DJMMHKZWJHPTPK-GOSISDBHSA-N 445.358 0.510 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835058336 NDZFKJOPDFPXEQ-HZPDHXFCSA-N 431.965 0.259 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399937 DFVOYFSYXBZCCW-WIYYLYMNSA-N 445.004 0.488 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cn2cccnc2n1 1835545187 BTRZOPOOZYOOPH-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)no1 1835774355 QQLVKPWGASKRHC-KRWDZBQOSA-N 443.907 0.819 50 20 ICGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCCCC1 1835939966 QWECODIEJBIRQL-HSZRJFAPSA-N 444.337 0.407 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715418 OTXNJRMGCRNNJW-KXBFYZLASA-N 444.605 0.002 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839145389 GGJPZXNVKYXFMB-LIRRHRJNSA-N 442.900 0.187 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839962188 WWXQJHWUEYOEEH-SUNYJGFJSA-N 446.342 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1839963522 NFTIVOZYIOZSJD-SUMWQHHRSA-N 429.315 0.664 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840152081 WTMBQHCLPWTHBT-WMLDXEAASA-N 435.308 0.247 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840152438 HYWKLOQYDYIYLO-YWZLYKJASA-N 440.880 0.739 50 20 ICGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840199342 WYZLPCNBTFSWRX-YJBOKZPZSA-N 434.631 0.408 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840493450 WMENCAJHYBYDNB-IYOUNJFTSA-N 443.342 0.992 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 1842182600 LJRPMYSYVJLTSK-AFUMVMLFSA-N 439.476 0.338 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1ccccc1F)C2 1844265199 FSQKLBLUQMLZIZ-UHFFFAOYSA-N 427.436 0.720 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)C1 1845670554 YBQWPZCONZOMNV-UHFFFAOYSA-N 446.533 0.316 50 20 ICGD COC(=O)[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl)NC(=O)OC(C)(C)C 1847564319 TXVIQCQDGMPUMR-RFGFWPKPSA-N 447.916 0.244 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)NC(C)C 9554338 MCBQISZLHDKNMT-UHFFFAOYSA-N 449.485 1.000 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)c1 14260586 XFEFIZNQPKCRSN-UHFFFAOYSA-N 431.474 0.052 50 20 ICGD Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1 24351499 WLOGOPBSPHVYIP-UHFFFAOYSA-N 443.489 0.600 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(N3CCNC3=O)c2)cc1 107527949 WISGZEBZFXTTDS-UHFFFAOYSA-N 445.501 0.606 50 20 ICGD CCN(CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)C 726713529 FYXDXFSRVMMWPV-UHFFFAOYSA-N 427.575 0.374 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)CCCc2ccccc2)c1 729229483 DJYOOQOAFAJPAZ-UHFFFAOYSA-N 447.517 0.887 50 20 ICGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3ccccc3F)n[nH]c2n1 731344331 GZLNQAQXIABKLN-UHFFFAOYSA-N 447.500 0.426 50 20 ICGD CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 735460981 CKAUQLMSFRFXQT-UHFFFAOYSA-N 431.268 0.983 50 20 ICGD O=C1C[C@H](Cc2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)C(=O)N1 743337351 ULJWRQQLQDQSQQ-KRWDZBQOSA-N 436.472 0.359 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 748522400 SMIXBRNLQQJSOS-OXHZDVMGSA-N 447.391 0.586 50 20 ICGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC 751550005 WXXHHVGKDYSIML-UHFFFAOYSA-N 438.462 0.054 50 20 ICGD CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 754677269 YVGNYAUPPHOYAJ-OAHLLOKOSA-N 440.522 0.609 50 20 ICGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)COc1ccc(C#N)cc1)C2=O 756866150 XLZHOHZQTOTDOM-KBPBESRZSA-N 427.461 0.831 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccnc2I)C[C@H](C)O1 757715872 RHYUFKSDPGVDES-QWRGUYRKSA-N 432.262 0.947 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cc2ccccc2o1 763066631 YDDRKWTUGSWNHE-NSHDSACASA-N 430.442 0.660 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccnc2C)c1 763507697 AXWGXNFOBZBKSZ-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2 763530877 KDYBAGPFMVACRL-UHFFFAOYSA-N 437.500 0.920 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(OCC(=O)N(C)C)c1 763548815 SKTBTESJTKWDTC-UHFFFAOYSA-N 442.428 0.590 50 20 ICGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763551534 OTAHTMXPNVVBGX-UHFFFAOYSA-N 427.417 0.315 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c2ccccc2n1 763617129 UPAITFUORWTWFC-UHFFFAOYSA-N 446.467 0.879 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 763660195 ZFPGXVSIXMVIAW-UHFFFAOYSA-N 428.445 0.998 50 20 ICGD COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814490 VIOHWEHEFSGBLW-UHFFFAOYSA-N 439.428 0.434 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1 763822158 WTGVMGRWHFHRBA-UHFFFAOYSA-N 427.461 0.660 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763867635 XZPJLECMOFDIKY-CYBMUJFWSA-N 446.435 0.846 50 20 ICGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 764082176 CLPOLHNZPADNHG-CQSZACIVSA-N 439.538 0.145 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1 764166848 RJAMZLLYJXLRAW-UHFFFAOYSA-N 434.474 0.291 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 764228035 UDAGNZWOOWXEFL-ZDUSSCGKSA-N 434.474 0.289 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)n(C)c1=O 765727518 JUJKMOWMNDACGH-CHWSQXEVSA-N 430.852 0.038 50 20 ICGD COc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 765728602 MKNHSBAWVHYTBA-UHFFFAOYSA-N 446.529 0.771 50 20 ICGD CCc1c(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cnn1C 765729469 SNTZJWROUFAYGS-UHFFFAOYSA-N 448.549 0.058 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)cc1 768234298 RXVSFSBYFSYOFG-UHFFFAOYSA-N 442.428 0.753 50 20 ICGD Cc1csc2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c(=O)n12 776462744 BNRCUYFGXNCOBD-CQSZACIVSA-N 444.425 0.209 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)nc1C 778428137 IDVGRTZDMFQOGF-UHFFFAOYSA-N 442.480 0.324 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cc1 782837301 HWTGUBYSDGYULM-UHFFFAOYSA-N 432.458 0.598 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 783037097 KYHPGJZITJDONX-UHFFFAOYSA-N 441.488 0.839 50 20 ICGD CCOCCOc1c(Cl)cccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783426967 KWDXHHLRTGSXDD-KRWDZBQOSA-N 433.914 0.892 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1F 784003278 CVMXHHWHTIITGH-UHFFFAOYSA-N 438.437 0.428 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=O)N3CCN(C)CC3)CC2=O)cc(OC)c1OC 788168839 FNTJCBJOMHCPET-ZDUSSCGKSA-N 435.481 0.054 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NNC(=O)CN1CCCC1=O 789856468 GVRJQSLYEUERQX-OAHLLOKOSA-N 436.534 0.942 50 20 ICGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2CC1 790050412 RAIITLCGSGAELT-UHFFFAOYSA-N 431.470 0.986 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 793228214 KWYOKORMXXKLIE-UHFFFAOYSA-N 426.481 0.193 50 20 ICGD O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCc2nncn2C1 793451506 UKPSPPCEPGDBRU-MRVPVSSYSA-N 445.255 0.521 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 797368861 IDQSSNXVXVZWPW-UHFFFAOYSA-N 442.428 0.860 50 20 ICGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)NCC(F)(F)F 798316819 WKHUQWONWMZHCJ-UHFFFAOYSA-N 430.430 0.204 50 20 ICGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 802068448 JYKDIKOXQLTKHO-UHFFFAOYSA-N 443.507 0.571 50 20 ICGD COc1cc(OC)c(NC(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1Cl 802074587 RTYKFMXRUFQDGL-UHFFFAOYSA-N 449.917 0.087 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCc1ncc[nH]1 806273126 QSUFXCLKOCBUEW-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 810316619 BBJXTFWOTOHGOJ-UHFFFAOYSA-N 442.494 0.688 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCn1nc(O)c2ccccc2c1=O 817052552 GLWYHPJPHUJIOX-UHFFFAOYSA-N 431.474 0.886 50 20 ICGD COc1nc(N)nc(N2CCCC2)c1C=NNC(=O)c1csc(N2CCOCC2)n1 863966858 RIBWOMAFCBFROC-UHFFFAOYSA-N 432.510 0.725 50 20 ICGD O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N1CC[C@@H](B(O)O)C1 864231704 QWGNSCQWJXVQTM-CQSZACIVSA-N 428.111 0.781 50 20 ICGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2F)c1 913055248 MALHIZITYYMNCO-UHFFFAOYSA-N 425.438 0.590 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNS(=O)(=O)c1ccccc1 1317700700 RHDURBYNQLLMNU-UHFFFAOYSA-N 445.545 0.325 50 20 ICGD O=C(c1cn2ncccc2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330458 XOSGOXYABLCRDG-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD COC1(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCC1 1782809709 HLASQQXTEXMWJI-DENIHFKCSA-N 444.337 0.453 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1783878404 DTHAIXHNLOCXPF-OLPIVMHESA-N 428.913 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1783932780 FGDRBGZTFGZNBE-OAQYLSRUSA-N 447.492 0.340 50 20 ICGD COc1cc(F)ccc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784096361 FJJGRJFKSMGQGS-MBGYTDRXSA-N 428.888 0.956 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1784108635 PHROUJXSRHXPRK-AUSIDOKSSA-N 428.533 0.919 50 20 ICGD O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787014176 DOBLYKYWYPLPEB-KKUMJFAQSA-N 426.311 0.613 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787499157 VREHGXZRAOCDHN-ORMBPQIASA-N 437.349 0.572 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143613 HQLFVXMWRNLRBF-HNNXBMFYSA-N 437.305 0.981 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)nn1C 1789924480 GRZRNCAZFACDLN-JYYRZZBQSA-N 433.278 0.713 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC34CCCN3CCC4)C[C@@H]21 1791290907 RRPPSLNZGIBMKJ-FHWLQOOXSA-N 449.596 0.358 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1793452236 UBELVHJIQBMFDH-XMTFNYHQSA-N 426.989 0.764 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2c(s1)CCC2 1794962601 TUKAUSYFYVHLPE-YVWYUNDQSA-N 434.562 0.813 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2)c1cccc(B(O)O)c1 1795737024 TVCCPRCFABYGIC-RMFSNUHRSA-N 434.301 0.301 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)n1cnnn1)C2 1796893003 GIMKURSTCZSTGI-STEFENFFSA-N 427.469 0.006 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1797529592 MVKKFUZKGRBCAJ-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(Br)cc1O 1799472413 SAXJONJBKFUBCR-OWLDWWDNSA-N 447.713 0.958 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800759528 UHAUACUPNGUMFW-WLIJJLESSA-N 432.315 0.888 50 20 ICGD C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC=CCC1 1801540024 YRZGCOHLASXUPX-OLMRKFRDSA-N 427.505 0.635 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H](O)c1ccco1 1802519726 LTBDBRZMEWQYHO-WMQCIHAUSA-N 449.272 0.408 50 20 ICGD CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)COC1 1802669557 SNCZQQKTVGYANR-YJBOKZPZSA-N 438.488 0.436 50 20 ICGD COCC1(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1803542329 QPCZONWGNOEGRB-FXAWDEMLSA-N 431.537 0.887 50 20 ICGD Cc1nnc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)o1 1807469209 QXQDFESAKDIWDB-DYESRHJHSA-N 449.276 0.015 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1808417715 OENRRLMJPOHXNK-KEXANBGTSA-N 449.475 0.653 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810541302 SYTHTHWLQMRUCW-BEFAXECRSA-N 447.568 0.491 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(F)c[nH]1 1812912886 FGRJJSFDJNGABL-OXQOHEQNSA-N 436.252 0.862 50 20 ICGD CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813067607 AXUZGNBZJLXWLX-FXAWDEMLSA-N 446.552 0.375 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)no1 1814874149 YIGZSXXOPBMXPK-KBPBESRZSA-N 438.872 0.728 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@]1(F)Cl)CC2)c1cccc(B(O)O)c1 1815361939 VDADVKIHSIHJMH-SEDUGSJDSA-N 437.689 0.973 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474803 ZBRFFHGVTRJSBK-OALUTQOASA-N 439.325 0.880 50 20 ICGD CC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)n[nH]1 1818113043 ADFZXJKTGMGKGC-UPVZUOOXSA-N 442.480 0.672 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccn2)[nH]n1 1819402037 JUQHWMCRXJMCMZ-HNNXBMFYSA-N 435.448 0.818 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC=CO3)sc2C1)c1cccc(B(O)O)c1 1819731090 NFBKIMGNOQEROF-GDBMZVCRSA-N 427.291 0.741 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCCO1)CC2 1819791054 LXHIVZXIZOELLT-XHDPSFHLSA-N 444.517 0.937 50 20 ICGD CCC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)COC1 1824916898 NZSKWRNACXXFMS-LLVKDONJSA-N 444.517 0.794 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831876344 JSLCCYDJHOSUKZ-QAPCUYQASA-N 443.342 0.972 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833262317 NTHNZGMYNBHLLU-GFCCVEGCSA-N 431.379 0.072 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800408 GBMZBGNWXQWYFW-YADHBBJMSA-N 439.365 0.598 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819454 SCFZEPMTQZUKNI-QGZVFWFLSA-N 429.315 0.758 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)[C@H]1Cc2ccccc2CN1 1835084920 QZAVNDBXNXOWQS-NHCUHLMSSA-N 448.995 0.872 50 20 ICGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1C[C@H]2C[C@H]2C1 1835668808 KWCRSMFSMHJPIU-OAFZBRQQSA-N 426.989 0.498 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714416 UREYSSJTOKIGJQ-XJKSGUPXSA-N 438.974 0.265 50 20 ICGD C[C@@H](Nc1cnccn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717333 UJZKKRKJMFCEOC-PBHICJAKSA-N 439.944 0.875 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)cco3)CC2)CC1 1837592792 NYJIFCFSZDZERY-UHFFFAOYSA-N 448.520 0.625 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1837713354 YQBJAIOEDCPXGE-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1ccnn1 1837715972 UKNUMHMZNFGRHU-YJBOKZPZSA-N 425.562 0.147 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n(C)n1 1839197618 CBQFIBBYJJUFJU-CZUORRHYSA-N 433.278 0.489 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccc1O 1839309440 ICGNFEWPKZLUQW-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840154134 MKQVNVQAWKVPDL-OXJNMPFZSA-N 442.896 0.725 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841214681 SQYSTUUHLTXECL-UHFFFAOYSA-N 426.473 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2cc(C)nn2-c2cccc(=O)n2C)C1 1843132797 ZBZIFUMOXXABGJ-HNNXBMFYSA-N 447.923 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)C1 1844198830 GRVWWLCCFJRASS-HXUWFJFHSA-N 429.477 0.298 50 20 ICGD COC(=O)CCCCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265352 UIYDGGXNXNZIRW-UHFFFAOYSA-N 431.493 0.626 50 20 ICGD COc1cc(F)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1845379765 FXBXCQWCTIOVLY-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848131606 FFAWZYGMYKJASF-WGTVYZGISA-N 443.410 0.672 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 10744013 OXQSDKZGBCBNNN-QKKBWIMNSA-N 430.461 0.800 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 28876211 UVTNZEYBWYJQCY-BFUOFWGJSA-N 439.424 0.798 50 20 ICGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 110948474 MRRCNYHFUVUHFI-KRWDZBQOSA-N 448.457 0.618 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 725898468 YPMOPRJBPKXTEW-ZDUSSCGKSA-N 435.524 0.324 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=S)NCCNS(C)(=O)=O 727068254 UGIYETZGTZPOJH-VIFPVBQESA-N 439.357 0.261 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cnn[nH]1)n2C 729456476 NRGFOJXUHOTXAE-UHFFFAOYSA-N 448.509 0.116 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccc(Br)cc2F)c(=O)n(C)c1=O 730568964 HXDPEIJQRZXYIU-UHFFFAOYSA-N 430.259 0.623 50 20 ICGD O=C(COCC(=O)NNC(=O)c1ccc(Br)s1)NCc1cccnc1 731186522 WZKWUJQOONTIKS-UHFFFAOYSA-N 427.280 1.000 50 20 ICGD O=C(NCCOC[C@H]1CCOC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731762608 GLNXXRHFKVQGKN-HNNXBMFYSA-N 440.522 0.468 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732262048 IDMOGACNZCCMTJ-HUUCEWRRSA-N 438.550 0.696 50 20 ICGD O=C(CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)NNC(=O)C1CC1 733193191 IMXIARBWWJVGRD-UHFFFAOYSA-N 443.426 0.699 50 20 ICGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733660551 RYWKTLCWUBHKRE-ZDUSSCGKSA-N 446.551 0.238 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)c(OC)c1 747384675 XKHHGIUPANWQLL-UHFFFAOYSA-N 440.342 0.805 50 20 ICGD CC(=NNC(=O)CNC(=O)c1cccs1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 750947964 LJMUCJUZZRHFSR-UHFFFAOYSA-N 438.487 0.381 50 20 ICGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)s1 751209122 KVWIRDJVXLRZLM-UHFFFAOYSA-N 430.533 0.092 50 20 ICGD O=C(NNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)C1CCN(c2ncccn2)CC1 753904912 LQINSBPSBSRRPY-HZPDHXFCSA-N 436.538 0.475 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cccnc1Cl 754483477 FLARBPBRHJOEQK-AWEZNQCLSA-N 446.938 0.960 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 755863410 IHOJHNOKDZCALA-UHFFFAOYSA-N 429.389 0.893 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 756087353 JBZASPUPRQTUSF-ZDUSSCGKSA-N 425.511 0.793 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C(N)=O)cc2F)cc1 756822014 ZMECVRFUIBHWTA-UHFFFAOYSA-N 437.453 0.706 50 20 ICGD CN(c1ccccc1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)S(C)(=O)=O 757660677 GSIFSUAUMSSBOY-UHFFFAOYSA-N 430.450 0.525 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1-n1cncn1 758142249 FWSOZAVNDGPRIQ-SECBINFHSA-N 428.268 0.226 50 20 ICGD CS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cs1 758528082 PCGLGAKKOZTWTH-UHFFFAOYSA-N 431.355 0.592 50 20 ICGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759622317 NKDBLXMWNACSKN-UHFFFAOYSA-N 437.547 0.457 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccncc2)ccc1C 763465465 XUFWEVIKKFKCQX-UHFFFAOYSA-N 433.490 0.820 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763547544 DHYCHMQMNNAOTG-UHFFFAOYSA-N 437.405 0.748 50 20 ICGD N#Cc1cccnc1-n1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 763569715 AMZOTVDIQRZOKX-INIZCTEOSA-N 433.384 0.065 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 763604197 HGOHTAXAUKJKTE-UHFFFAOYSA-N 433.428 0.667 50 20 ICGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CCC(C)C 764199866 SQIUPKRSSIWQDQ-UHFFFAOYSA-N 428.511 0.858 50 20 ICGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC(F)F)c3)cc2C1=O 764251194 QPCRRXHRHHJHKR-UHFFFAOYSA-N 432.339 0.914 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 764286622 NJFFOFIFGORVLV-UHFFFAOYSA-N 439.432 0.777 50 20 ICGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cc2)CC1 764319363 PVHYRPDTUQSGRJ-UHFFFAOYSA-N 441.463 0.542 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccnc2OC)cc1 766261922 ODFWVYAXTJUOAP-LLVKDONJSA-N 430.421 0.248 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 781801343 SMDYQGJFLGBZJU-MRXNPFEDSA-N 431.518 0.575 50 20 ICGD O=C(Cc1cc2c(cc1Br)OCCO2)NNC(=O)C(=O)Nc1ccccn1 784434269 OJUBBBUDQDSDOC-UHFFFAOYSA-N 435.234 0.944 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccn(CC(F)F)n2)CC1 790730977 VMSRXUJESYJITL-UHFFFAOYSA-N 429.453 0.236 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1=O 795169240 JULWHHNKRFTNJH-UHFFFAOYSA-N 445.501 0.577 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)n1 797369628 BQGJWHRAYLIXKV-UHFFFAOYSA-N 435.437 0.370 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl 798494914 MUXNTOHONUQAHV-UHFFFAOYSA-N 425.898 0.977 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806568040 NRXJDYVHSYGFHV-CYBMUJFWSA-N 440.444 0.835 50 20 ICGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNc1ccc2c(=O)[nH]ccc2c1 806679105 DNQMFWOCOOFXBG-UHFFFAOYSA-N 436.476 0.683 50 20 ICGD CCOC(=O)c1ccc(NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 812721712 BSWVJVQMHHLKMM-CQSZACIVSA-N 436.490 0.780 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 815570515 DSFYMJFZPRTZLF-INIZCTEOSA-N 439.490 0.294 50 20 ICGD CC(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 815691934 FWLGQVYYXCWUHV-LLVKDONJSA-N 429.437 0.832 50 20 ICGD CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]n1 916096676 WNEOJNFXBBLPJZ-UHFFFAOYSA-N 435.506 0.803 50 20 ICGD CCOC(=O)c1cnn(-c2cccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1C 920933107 OHVNAKMXQIBTPI-CYBMUJFWSA-N 449.489 0.945 50 20 ICGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 921198949 CHFDCMFZIQXMJG-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337468833 VUDPHQXBNYHFJV-JTQLQIEISA-N 440.478 0.659 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1778064646 QBFSDDJAZLAIOU-OAQYLSRUSA-N 439.302 0.667 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3cc[nH]c13)CCO2 1779031472 AMHTXPFUAOTBHX-HSZRJFAPSA-N 448.483 0.924 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cnc2snnc2c1 1780043144 RCRMADJFHOBNDN-HBUWYVDXSA-N 439.925 0.814 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C(F)F)n1 1780312108 CGENMXCQXXSFLM-IBGZPJMESA-N 442.467 0.403 50 20 ICGD C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970721 XRZKYFJBIVVFOH-QHCPKHFHSA-N 441.532 0.576 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1780999222 TYQBYDOPCCJREA-TUGUMKMLSA-N 444.536 0.292 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1)N1CCN(C)CC1 1781097060 VBMBEVSVIPWLBF-CRAIPNDOSA-N 431.375 0.237 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783828232 WCAZEYHZDBKPOT-KRWVRRRRSA-N 431.493 0.566 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932198 ORJXNUXQGOYGIU-AFAVFJNCSA-N 435.315 0.606 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937064 OGCWMNQSGCWHOG-JTSKRJEESA-N 432.521 0.657 50 20 ICGD O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786560015 FZKDORVPTIIDRQ-BVSLBCMMSA-N 432.285 0.011 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981104 SFCSLVMUAUPTBK-DCPHZVHLSA-N 444.243 0.552 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1 1789867870 KRIFFMIMLFWLQB-DEEHTKSCSA-N 443.393 0.883 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1C 1791293366 ZQDXBHLSJSLHDP-QRFRQXIXSA-N 446.548 0.970 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C1CC1 1792849409 RHBYTSZRJKGKJH-ZUWBBCLGSA-N 427.505 0.756 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Br)cn1)C2)[C@H](O)CCl 1792980575 LXEJWYTZNUPQCS-RDBQEKCUSA-N 432.702 0.647 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793447185 AKDHVPSZNUTETM-QRJUGERDSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnc(OCF)cn1 1794409669 ASRNHYAGCBMHGM-FQPOAREZSA-N 435.225 0.676 50 20 ICGD COc1ccc(C(=O)CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1795137616 PTHUMNDQHIUXJI-ZDUSMZPESA-N 438.908 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)[C@H](F)Cl 1796364487 GSCFNFBEOVHWSJ-RMHZUWNSSA-N 426.876 0.656 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(F)CCCCC1(F)F 1797213709 ZCHKDNYXZLDSTB-QOIYZWAUSA-N 448.486 0.867 50 20 ICGD COc1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440821 WKEMYCNJDXTHGQ-CLLJXQQHSA-N 425.449 0.049 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccnn3c1)C2 1798442982 LBILXHMTZREZOU-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2)[C@@H](F)Br 1799346431 QKUTUYMLWMZHAS-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@H](O)CCl)C3)CC2 1800409429 SGQNCOHFNIVSLB-ZKHYITAMSA-N 436.936 0.989 50 20 ICGD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1800542285 YQBQJNDVDGIZGO-RNCDSHHQSA-N 446.454 0.988 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1800641270 WEVWVSQKUOLTQS-QVHKTLOISA-N 432.315 0.592 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1800979324 ZXOCZNUSALYJIE-GFQSEFKGSA-N 425.898 0.543 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C2 1801008925 IZSDJRZQAITOND-MHRUYAEQSA-N 446.523 0.892 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802682420 LVBOAMDPQYKDBU-YQQAZPJKSA-N 425.917 0.612 50 20 ICGD COC(OC)C(=O)N1CCCC2(CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)C1 1805772995 VAZRJJQERQYEFD-HZHRSRAPSA-N 433.509 0.971 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cccn2c(O)nnc12 1808182093 BKFQOHJXVSJOPF-CWRNSKLLSA-N 444.879 0.749 50 20 ICGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](F)Br)[C@H]1c1cccnc1 1808661383 KOMFEWYSZJKOFD-BNOWGMLFSA-N 436.303 0.823 50 20 ICGD O=C(CCBr)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809659618 ZFITZGQRFZCBAJ-UHFFFAOYSA-N 440.275 0.727 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cccc(F)n3)sc2C1)c1cccc(B(O)O)c1 1820439860 OVRAHOLLRUELJU-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)no1 1824186323 RFGOWMNINHKIDH-DLBZAZTESA-N 440.928 0.932 50 20 ICGD O=C1OCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824332736 XHTFVMYZRYSPDX-IBGZPJMESA-N 443.309 0.052 50 20 ICGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824588846 QXFNSOQQGDKVST-KXBFYZLASA-N 429.326 0.111 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)cco2)CC1 1826224189 LXUCKVZTHGUYGG-HXUWFJFHSA-N 438.289 0.867 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830544344 VMPRSHFWHXOYOF-RKVPGOIHSA-N 434.375 0.814 50 20 ICGD O=C(COc1ccc(O)cc1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833210608 PFWWBOMRJGLEAC-IBGZPJMESA-N 439.940 0.942 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(OC)cc3F)CCO2)C1 1833635230 MEVZLEXVXGJOME-AUUYWEPGSA-N 445.875 0.553 50 20 ICGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)CCBr)CC3)CC2)CCN1 1834423562 RDGVDKIEXSHTGQ-CQSZACIVSA-N 443.386 0.869 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1ccnc1 1834818895 FHJSLYSRTFYGCH-RHSMWYFYSA-N 429.315 0.686 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835078022 ZOLGUAZWXZONIA-AWEZNQCLSA-N 441.916 0.327 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837315854 PKIZJEBBYXVSSU-LRDDRELGSA-N 444.834 0.956 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838513584 YKNOCAAFSUUBSL-INIZCTEOSA-N 446.316 0.960 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)C[C@H]1C)CCO2 1839089208 NWYBSPZGMVXDKJ-VEHSECMASA-N 445.520 0.623 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198375 YUGAYWCCBDEUCY-AAEUAGOBSA-N 446.111 0.918 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc(O)n1 1839199882 YPORLHHQMREMFT-PBHICJAKSA-N 446.273 0.856 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840149471 QEXMFJLLYTTYFO-FXAWDEMLSA-N 431.961 0.429 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840152738 RRDXGHPTJUOHQV-OXJNMPFZSA-N 436.896 0.658 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409992 PBZUNBJHYKONIZ-GUYCJALGSA-N 443.298 0.095 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466756 VWVIYUBSINEIEL-CRAIPNDOSA-N 443.342 0.593 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620392 SWZDLRYLYVFKQG-UDIPQKBFSA-N 449.483 0.469 50 20 ICGD O=C(Nc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1)C1CC1 1845284489 XMZYMWQINVVQKK-UHFFFAOYSA-N 447.300 0.846 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1846360644 XBEYPAVULWQFJF-UONOGXRCSA-N 433.933 0.719 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCN1Cc3ccccc3C1=O)C2 1846385116 UMLFQTYYLPJTLP-UHFFFAOYSA-N 441.532 0.609 50 20 ICGD Cc1nnc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)s1 1848211129 XTFHJYCBPZYIQU-GJZGRUSLSA-N 429.506 0.293 50 20 ICGD CN1CCN(c2cc(CNC(=O)NNC(=O)CNC(=O)c3cccs3)ccn2)CC1 725872299 CIKYHZUISJCZIX-UHFFFAOYSA-N 431.522 0.155 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 725880946 NVFVHVPHAHONCZ-UHFFFAOYSA-N 435.440 0.892 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cnc[nH]1)N(S(C)(=O)=O)CC2 725881190 SKTXHOVZFILUGZ-CQSZACIVSA-N 437.478 0.137 50 20 ICGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 727985600 FVNDABVPWUJAIJ-INIZCTEOSA-N 448.483 0.997 50 20 ICGD Cc1nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1-c1ccccc1 731744127 JDYGNFOFHGFARR-KRWDZBQOSA-N 437.412 0.720 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc(OC)c1OC 732569602 LMTCMCHQHIDMFP-SNVBAGLBSA-N 434.371 0.820 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nc(O)oc3c2)CC1 735118282 PYYUVRDUTWUMOF-UHFFFAOYSA-N 432.462 0.621 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)COCc2ccccc2)C1 738496053 LOLCGBGFFSAIIC-KRWDZBQOSA-N 434.493 0.678 50 20 ICGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1c(Cl)nc2sccn12 741847446 LDZBAKPPZLESRM-UHFFFAOYSA-N 427.899 0.474 50 20 ICGD CC(C)(C)OC(=O)NC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 742489371 AYQHMQVVWQVNLY-LSDHHAIUSA-N 425.507 0.877 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cn1C 745977713 VLMVHYRRLPWIDV-UHFFFAOYSA-N 427.435 0.461 50 20 ICGD O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1cccc(Cl)c1 747571360 AZPXTQBWYOQOED-UHFFFAOYSA-N 440.861 0.724 50 20 ICGD CC(C)c1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[nH]1 747595974 SPZWJAMKLXOJJH-UHFFFAOYSA-N 441.535 0.941 50 20 ICGD C[C@H](Sc1nncn1C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748619564 KMQOCQBHLYGGBG-ZDUSSCGKSA-N 439.567 0.375 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 748622708 BAHAXVBXJYZCTB-OWCLPIDISA-N 436.509 0.818 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNc2nc(Br)cn3ccnc23)CC1 750242979 FEZQTDCAZNGHEG-UHFFFAOYSA-N 431.316 0.997 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)/C=C\SC)c(=O)n2Cc1ccccc1 751458457 LQFTVXDHXXEPDT-KTKRTIGZSA-N 442.501 0.452 50 20 ICGD NC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 753018348 MQBRVYLSZQBCFW-UHFFFAOYSA-N 435.462 0.307 50 20 ICGD O=C(NCc1cn(-c2ccccc2)nn1)NNC(=O)c1csc(N2CCOCC2)n1 755084755 IFAAEVLRMAMTHF-UHFFFAOYSA-N 428.478 0.705 50 20 ICGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 755344176 LQTBQKBPFYYLOP-UHFFFAOYSA-N 432.458 0.996 50 20 ICGD COCCn1nc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O 758786891 PXSSSVCFDWOFHS-UHFFFAOYSA-N 438.485 0.139 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccn(Cc2ccccc2)c1=O 763579473 VPUHHFNGIOXKIU-IBGZPJMESA-N 448.435 0.823 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003672 GJZZZQZJPISSIA-UHFFFAOYSA-N 428.401 0.112 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 764043841 XCRVPHXRYJNHFT-UHFFFAOYSA-N 440.456 0.496 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)ccc1-n1cnnn1 764376882 KTUKWUFKXNJTAK-UHFFFAOYSA-N 437.445 0.822 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n[nH]1 765603041 YWKKRQWZHJEAGU-AHCXZYCDSA-N 439.428 0.009 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 766321808 SORQTNVFIPKUPG-UHFFFAOYSA-N 427.460 0.805 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 766838081 GLYVCHGCCOSENS-RTBURBONSA-N 443.592 0.807 50 20 ICGD O=C(NNC(=O)c1cnc2sccn2c1=O)c1cccc(S(=O)(=O)N2CCCC2)c1 767155712 ZVIAAHNWWRMAQQ-UHFFFAOYSA-N 447.498 0.615 50 20 ICGD C[C@H](C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)N1C(=O)NC2(CCCC2)C1=O 770966582 SFTLUFSLJNPHGY-SNVBAGLBSA-N 430.469 0.983 50 20 ICGD CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 772609314 LEJUQASXVZXROW-UHFFFAOYSA-N 438.510 0.386 50 20 ICGD CS(=O)(=O)C[C@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 774279771 MYDBWWIIPOCHFD-INIZCTEOSA-N 429.462 0.392 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(C(F)(F)F)cc1 782062176 OXQWYZHRKUIDFR-GFCCVEGCSA-N 445.423 0.849 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C(F)(F)F 782120285 IEQBVROQOGVBEJ-UHFFFAOYSA-N 430.299 0.512 50 20 ICGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)cc2)c2ccccc2O1 782830049 CTYBKRLLZFAHMC-KRWDZBQOSA-N 426.429 0.474 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)n1 784845538 AZNIFPHIVFDICX-UHFFFAOYSA-N 428.449 0.443 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)c1ccccc1 787549279 JLGUSLVYPDEBJV-MRXNPFEDSA-N 449.533 0.906 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)N[C@H]1CCS(=O)(=O)C1 793382773 URTLDQPSEQOPGK-ZETCQYMHSA-N 435.377 0.404 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cnn1CC(C)C 797369430 WNKFICWXSPWTPI-UHFFFAOYSA-N 430.465 0.860 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 803468081 QKXXWGUMHOMPEG-QHCPKHFHSA-N 439.468 0.635 50 20 ICGD Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NNC(=O)N3CCN(C)CC3)cs2)c1 808032096 SFGYOPZASLRHIF-UHFFFAOYSA-N 432.506 0.940 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 808043928 KSADXUJEYLIBFN-CQSZACIVSA-N 428.532 0.745 50 20 ICGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812445788 ZNMOIRYJZHGARC-CVEARBPZSA-N 441.550 0.706 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)cc(F)c1Br 815692901 FEXOMXTVUWRJHK-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD COC(=O)c1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1C 815779125 RRYRTHGKXXFXEG-LLVKDONJSA-N 428.239 0.809 50 20 ICGD Cn1cnnc1Sc1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 816882314 BPPSCPKEPWSKOT-NSHDSACASA-N 443.449 0.490 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3ccc(C)cn3c2=O)cc1OC 912876548 ZJFNYAIHZAQYHR-UHFFFAOYSA-N 440.412 0.638 50 20 ICGD CCOc1cc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)cc(OCC)c1OCC 915356582 RAICNOAIEYBHOR-UHFFFAOYSA-N 443.522 0.374 50 20 ICGD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 917719230 AYBIMCOVQCUPDE-UHFFFAOYSA-N 442.475 0.777 50 20 ICGD Cc1cc(C(=O)O)c(O)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 920758346 VUFYHHWJYLXIJN-UHFFFAOYSA-N 442.475 0.315 50 20 ICGD C[C@@H](OCC1CC1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920808325 YKWBATHYSSIVMU-OAHLLOKOSA-N 439.534 0.603 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C[C@@H](C)O[C@H](C)C1 921203016 OTPKUKKVPUGCRS-IIAWOOMASA-N 425.555 0.875 50 20 ICGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)cc1 1117627234 YYRSSVLXOCGSTJ-AWEZNQCLSA-N 426.506 0.802 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 1318504168 OYBCLFFHCAFEGA-JZXOWHBKSA-N 431.537 0.649 50 20 ICGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)c1cc(Br)ccc1O 1325910839 ZOMCJVPXALRDRZ-UHFFFAOYSA-N 428.264 0.894 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1csc(N2CCOCC2)n1 1340019422 GQXHAPYHNYQDDN-UHFFFAOYSA-N 435.487 0.445 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cc12 1778496758 QNBBEXLRYFNOJZ-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779068443 KCMYNAWHVIWQLG-TXPKVOOTSA-N 432.901 0.719 50 20 ICGD CC[C@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780096718 GBPQZHYTMIWICX-UWJYYQICSA-N 448.476 0.962 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1783933075 CALJDAUXWZUEJS-XMSQKQJNSA-N 446.504 0.029 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1783966603 HUQRLXZWZJSJJK-QZWWFDLISA-N 445.402 0.245 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1787507557 CTCHOVSPEPTRCY-NGTHKXITSA-N 441.492 0.066 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)ccc1O 1789603579 KFLLYJSIZVLVGJ-BXWFABGCSA-N 448.520 0.367 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1793447181 AKDHVPSZNUTETM-NPJQDHAYSA-N 447.960 0.869 50 20 ICGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1793725353 ZDCGZTRIMBYNIJ-JHDGKUDLSA-N 436.317 0.511 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795347458 ADQQKRYTAYTNQC-FVCCEPFGSA-N 438.326 0.909 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1[nH]nc2ccncc12 1796213127 FCIPGKLJOUFYCN-NVVZYBJKSA-N 426.246 0.852 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796371497 ZJHQUWJJHZSQQC-PEZLKRJXSA-N 443.878 0.997 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C2 1796891008 WAGBJNZSHDPPBT-NGYDUSEUSA-N 441.492 0.367 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C(=O)N(C)C)c1)C2 1800983351 ZCXHPFSAAPJUEO-MHORFTMASA-N 437.924 0.845 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)cc(F)c1F 1801768865 DUYPIXFHXAERCA-DBWKPXFBSA-N 448.206 0.301 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805515152 MBVKMTOJGYNVOU-CABCVRRESA-N 447.960 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2CCOCC2)[C@H]1c1cccnc1 1806701709 HXIOKLDYULTBQX-GHTZIAJQSA-N 431.537 0.887 50 20 ICGD CC(=O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359399 ISYSTIVQHCWUQK-ICSRJNTNSA-N 437.305 0.696 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369933 ZEDTVUYQAJUUTC-PXNSSMCTSA-N 431.261 0.185 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808822601 VRHUWIKMPYCXMZ-CQSZACIVSA-N 437.928 0.725 50 20 ICGD Cc1ncncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819864753 HRTYUCOISZOBFV-SFHVURJKSA-N 434.265 0.808 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc[n+]([O-])c2)[nH]n1 1822410732 RWUNVQWQDDXGJH-INIZCTEOSA-N 429.481 0.722 50 20 ICGD CC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1822846454 ZGQGCVMJWUAZPF-JGVFFNPUSA-N 436.885 0.512 50 20 ICGD O=C(CNC(=O)C(F)(F)F)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1826139762 VMRLPSOCJUXMFQ-POYBYMJQSA-N 428.820 0.333 50 20 ICGD C[C@H](Br)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821920 ANQFAQLFGIMCNE-QEJZJMRPSA-N 431.375 0.982 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1829771273 OXIDNMDVNUBISV-SYCBYCMTSA-N 444.326 0.085 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726431 YQQUVTACUXBANM-PXAZEXFGSA-N 434.276 0.110 50 20 ICGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1831937406 FDXCAINNCRXFKZ-UYAOXDASSA-N 441.337 0.126 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1833039303 HBEKHZLGMPPNNR-FQEVSTJZSA-N 438.601 0.808 50 20 ICGD CCC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833530061 LECCCQCPTBSVED-CVEARBPZSA-N 441.960 0.564 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCc3cn[nH]c3)CC2)CC1 1833814292 VYAPXOYMOITWBB-UHFFFAOYSA-N 447.584 0.287 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1837646802 CFAOLLRQOZWWCR-OLMNPRSZSA-N 448.351 0.607 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838502155 ZFNUNGKUTRUCDP-JLTOFOAXSA-N 449.895 0.177 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838723655 ISCRESYRDZAGIC-SCLBCKFNSA-N 448.303 0.413 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839250818 MZEIPARGUZYTHB-QAPCUYQASA-N 449.287 0.421 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839389969 QHIRRMGOVLRQIV-RIPAZEOFSA-N 443.859 0.747 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839713365 HAOONAVGRKMFGE-KRWDZBQOSA-N 429.315 0.433 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839964759 BSKVWRONPCCVDA-GUYCJALGSA-N 427.299 0.720 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840037141 UVPAJMZDZLGQPB-AMVWBUNWSA-N 439.310 0.730 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840152352 GFRREJMAPYBRRZ-VBKZILBWSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840153892 FAXBHOVPBGVTBL-UZLBHIALSA-N 440.928 0.471 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1841924532 WYWISJPZAIXCOA-ZDUSSCGKSA-N 426.905 0.614 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cc1cc(C)n(C)n1)C2 1843415276 HURKZHUAZZJECL-HZHRSRAPSA-N 425.493 0.608 50 20 ICGD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc2N1 1845704563 WHJHEWLCYNZMFP-UHFFFAOYSA-N 433.273 0.382 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845918492 CFQILNXHFVHOMM-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1847044173 JCLAPRYHLMQMIV-STQMWFEESA-N 447.916 0.246 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 14343102 BVPWGYOSEZYUEI-UHFFFAOYSA-N 445.476 0.326 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 15945664 JNNZMRZZGNNRHW-HZPDHXFCSA-N 439.472 0.914 50 20 ICGD N#Cc1cccc(NC(=O)C2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 725872572 ZCSJOVURXZXMDO-UHFFFAOYSA-N 438.444 0.973 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)CNC(=O)c1ccc(Br)s1 725902857 VLWOHNVMEKKSAG-UHFFFAOYSA-N 429.252 0.411 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710769 RJFGDPRXQGWOPF-UHFFFAOYSA-N 441.492 0.233 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1 728202815 AYTKPZCLAPJBHR-UHFFFAOYSA-N 440.478 0.741 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728339573 YAAPYHQJQUROLA-QGZVFWFLSA-N 448.453 0.624 50 20 ICGD N#Cc1ccnc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)c1 728959260 IVAQMQDXWJEMBY-UHFFFAOYSA-N 435.492 0.523 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c(OC)c1 729964206 YVRNESDJEINSSM-UHFFFAOYSA-N 434.430 0.608 50 20 ICGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)Cc1cc[nH]n1 730102928 SMZKBPXYYKHBAJ-UHFFFAOYSA-N 435.506 0.987 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 732893732 RAWILIFSEIAWID-HNNXBMFYSA-N 434.449 0.979 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3ccnc3)cc2)CC1 735118728 YIGYPPFIVPLRJR-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)COCc2ccccc2)c(C(=O)OC)s1 737757049 YMVLMPDRIRJQSW-UHFFFAOYSA-N 442.471 0.848 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 743251101 NYORKWBWSRNJRF-UHFFFAOYSA-N 444.466 0.749 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 744878202 RNDZJBHGBXJAIQ-KRWDZBQOSA-N 430.486 0.835 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(OC)CCOCC2)c1 747448568 JXQCAKOSPNJNSA-UHFFFAOYSA-N 442.538 0.857 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1C 750663954 SITHSOQJIZPBKL-NSHDSACASA-N 427.458 0.151 50 20 ICGD C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)C(=O)NC1CC1 755061112 DCOCAYGZKXWDAO-VIFPVBQESA-N 432.296 0.285 50 20 ICGD COc1ccc(NC(=O)NNC(=O)CC(F)(F)F)cc1S(=O)(=O)N1CCOCC1 755413678 QCFDYQNIVWGULZ-UHFFFAOYSA-N 440.400 0.821 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1F 755953770 LIAQEZOYSDLJCT-SSDOTTSWSA-N 428.847 0.010 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)cc1OC 756599820 YDDJKCQIFISNCD-UHFFFAOYSA-N 448.501 0.565 50 20 ICGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC(C)C 756735516 FEJUPOMOTABRQY-UHFFFAOYSA-N 443.464 0.382 50 20 ICGD O=C(NNC(=O)c1ccc2nnnn2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 758157257 XHEJZTNRQLTYCD-UHFFFAOYSA-N 440.427 0.901 50 20 ICGD CNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 761138606 ORXFSTVSNMERBS-UHFFFAOYSA-N 433.490 0.794 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Cc1ccccn1 761158085 WUUSKSUPINMIKU-QZTJIDSGSA-N 438.488 0.363 50 20 ICGD CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 761525948 SMYHLGURDKHICJ-AWEZNQCLSA-N 435.433 0.574 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 762424344 GXAGOSIDPADADO-KCQAQPDRSA-N 432.543 0.832 50 20 ICGD CN(C)CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763571297 HNVBOAFYZBQDPQ-IBGZPJMESA-N 442.472 0.943 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1NC(C)=O 763574302 YJJXFMMYZFIBGG-QGZVFWFLSA-N 428.401 0.580 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2sc3ccccc3c2Cl)cn1 763578774 QANVYEUALXUOPP-UHFFFAOYSA-N 434.865 0.897 50 20 ICGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2C#N)c2ccccc2O1 763808377 NAMITEGTEHQBJP-KRWDZBQOSA-N 438.396 0.052 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1N1CCOCC1 763814106 PJBCSCLECSIASH-UHFFFAOYSA-N 437.456 0.868 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c2ccccc2O1 763853012 ZOWVFXWZXBJALH-SJKOYZFVSA-N 445.403 0.708 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1-n1cnnn1 763863734 BNOHNWMIJQRPKM-LLVKDONJSA-N 443.395 0.363 50 20 ICGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763922128 SIYUBDSICMNNJX-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2cn(C)c3ccccc23)c1=O 763975456 MOERMLHVCZIARF-UHFFFAOYSA-N 439.428 0.303 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 764128020 XWMVLPDPXJOFNQ-UHFFFAOYSA-N 438.444 0.298 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1-n1nnnc1C 764152902 HSEDMVURVBKGHM-KRWDZBQOSA-N 437.416 0.069 50 20 ICGD Cn1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc(Br)c1=O 764243304 RPQJJBKEMWVBLV-UHFFFAOYSA-N 446.261 0.889 50 20 ICGD COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764425291 OKIPLCNRLHBSAT-SFHVURJKSA-N 447.419 0.915 50 20 ICGD COc1nccnc1NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 764470325 XYGLBJVHOVCXCA-LBPRGKRZSA-N 433.446 0.566 50 20 ICGD CC[C@H](Sc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638853 JUIZMSHOTVPULE-ZDUSSCGKSA-N 430.490 0.152 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767853815 ZIODROYFXXZNEG-ZDUSSCGKSA-N 431.474 0.493 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 768291275 OXZRFOVSHNRRCJ-UHFFFAOYSA-N 441.507 0.829 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCNS(=O)(=O)c1ccccc1 768612875 RGDMSHUSKVOHNC-UHFFFAOYSA-N 427.504 0.910 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)sc1Cl 771141926 BRGQEFFUTLAMFS-SCSAIBSYSA-N 440.750 0.411 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)c1 771846711 SBBYMJSHHDYWDT-HNNXBMFYSA-N 446.485 0.735 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](O)Cc2ccccc2Cl)c1 771869065 ROUGWYUCWFAQNC-MRXNPFEDSA-N 425.894 0.955 50 20 ICGD COc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cc(NS(C)(=O)=O)c1OC 772162557 USYZBVUVWCPMEA-NSHDSACASA-N 445.494 0.814 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1 773888417 GZFRRLLEANIUHG-UHFFFAOYSA-N 444.419 0.827 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1-n1cnnn1 777136447 WZRCUBNXNVRUJN-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1F 782893603 JTXSMQGGRDBTGN-UHFFFAOYSA-N 427.392 0.828 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)n1 784846324 QOLSNMXCRGQMRC-UHFFFAOYSA-N 426.477 0.489 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1 784846572 TXDRUHJNXUYWRS-GFCCVEGCSA-N 429.433 0.853 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)c1 786169552 CFZKZKJZMLILFQ-INIZCTEOSA-N 431.880 0.841 50 20 ICGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccc(-n3ccnc3)nn2)c1 788174943 OEHGFOXABYQCOL-UHFFFAOYSA-N 431.478 0.652 50 20 ICGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)c1cnn(C)c1 796450883 YGXRVNZKFZSNBB-LBPRGKRZSA-N 431.457 0.854 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1OC 797072367 UZLOJKHVNYCKOC-UHFFFAOYSA-N 434.430 0.059 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4[nH]c(O)nc4c3)cc2)CC1 809664271 DIZBUWZUPPZJKK-UHFFFAOYSA-N 431.478 0.357 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 815691050 DHBNEIAXCGGCJB-MRXNPFEDSA-N 449.471 0.643 50 20 ICGD Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C3(S(N)(=O)=O)CC3)cc2)n1 816814951 IFHVNXCMXHPDKP-UHFFFAOYSA-N 435.531 0.968 50 20 ICGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1=O 817054839 AQKQAQLMTBPYPD-HOTGVXAUSA-N 437.566 0.713 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 825615096 HTOYDBXLDXGARN-JOCHJYFZSA-N 437.456 0.648 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1ccncc1 915881482 IELRLASXQTUHIZ-UHFFFAOYSA-N 447.517 0.566 50 20 ICGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 916383511 JYXBFODRHOUQLG-UHFFFAOYSA-N 436.538 0.650 50 20 ICGD O=C(NCCCn1nc2n(c1=O)CCCC2)NNC(=O)c1cc(Br)c[nH]1 916649814 JCAQHBIIKCIMQE-UHFFFAOYSA-N 426.275 0.506 50 20 ICGD O=C(NCCS(=O)(=O)c1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O 918229458 CDZMOSSHTYMBAD-UHFFFAOYSA-N 429.458 0.996 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 919954458 MLNXIZJXCQQTEH-UHFFFAOYSA-N 432.414 0.735 50 20 ICGD COCCOc1cc2c(cc1/C=C(\C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)OCO2 920760278 ZTCQQVOCYQSMPE-WUXMJOGZSA-N 428.401 0.210 50 20 ICGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(OC)c1 1780532397 DNORNKCLBBKOOM-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2)[C@H](F)Br 1780771514 JRFJWOWAMUTAEF-UKPHBRMFSA-N 436.322 0.523 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1781223914 DUMARZJJTHRIEQ-ZWKOTPCHSA-N 432.304 0.368 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@](C)(O)CC(=O)O)C1 1782208872 NTDPFLVPVICEGD-QABNGEJJSA-N 434.917 0.370 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782361162 CXDMEITVYSDXCM-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783347632 NHZHCPVWGZPRES-ZUZCIYMTSA-N 430.259 0.935 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1783348061 UCOCRGXWLRRFRS-JTDSTZFVSA-N 439.354 0.955 50 20 ICGD C[C@H](Cc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936984 BUTMHQVSDCEVRL-VGSWGCGISA-N 431.537 0.463 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)[C@@H](O)N3CCOCC3)cc2)CCC1 1789557361 XCIQRADLRFKTGZ-OAQYLSRUSA-N 447.536 0.144 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1789868940 UGKRYOLIODYTPQ-MMNXLFCMSA-N 432.304 0.915 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C[C@@H]21 1791249386 KCGPKFLAZRJHEU-NQCBRMCBSA-N 430.929 0.809 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c(F)c3)C[C@@H]21 1791293815 LABNIBIDVYOSRR-MPGHIAIKSA-N 436.484 0.498 50 20 ICGD COc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cn1 1794156037 FXKQTVOZOIMZHD-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)ncn1 1794366292 DBEJMALUQVGWMR-WDAIWFPHSA-N 427.255 0.163 50 20 ICGD Cc1nnc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)s1 1794380352 IIQVYEBTUHAMTB-BTTYYORXSA-N 443.533 0.730 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnc(OCF)cn1 1794409671 ASRNHYAGCBMHGM-OTMMVIPVSA-N 435.225 0.676 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795682462 RJQJZVVNKGIJCW-JVCZHTPTSA-N 425.327 0.845 50 20 ICGD O=C(C[C@@H]1CNc2ccccc2O1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188722 LUESGEVDSGJWOD-IYWMVGAKSA-N 449.316 0.881 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190462 ZUGNTMPRXKNIET-NKGKWGDASA-N 445.325 0.531 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(N2CCCC2)ccn1)c1cccc(B(O)O)c1 1797051498 NBTVDGYWVDYCKA-NUZGMZIFSA-N 448.332 0.927 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2 1797751574 ISBUYMSFYKUFMS-ZSBFGKGUSA-N 449.471 0.078 50 20 ICGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800159255 PEBFICWHPXTOMD-OPDFLTKYSA-N 440.335 0.741 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1800977826 YSMJSOWHRLXJMB-MTLKIPAASA-N 427.929 0.231 50 20 ICGD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C2 1801204641 NQCORXMKKANRQE-BJUDCHGJSA-N 448.426 0.817 50 20 ICGD Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801658656 QFINZRGWWJZNJQ-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncs2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369189 CDXFJPVHGFFNJN-APWZRJJASA-N 436.302 0.851 50 20 ICGD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCCN1 1807372578 GXVPDSHKNXZBAM-GREBRCKQSA-N 436.321 0.223 50 20 ICGD COC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810293254 BHAUMQCKPZRMQU-YJBOKZPZSA-N 440.504 0.825 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812310628 BTKIWZZQAAYGOE-BSIFCXSSSA-N 438.337 0.421 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncccc1F)CC2)c1ccc(B(O)O)cc1 1815344073 GIYNFAUKOFEFLK-ZDUSSCGKSA-N 440.265 0.897 50 20 ICGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCBr)CC2)N1 1825072923 XZUUHZWVQBADHG-ZIAGYGMSSA-N 443.342 0.989 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323599 XRELFSBHGAKQSI-QWHCGFSZSA-N 432.974 0.749 50 20 ICGD O=C(CN1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056159 UPIOMFRYABZEEO-NRFANRHFSA-N 427.354 0.696 50 20 ICGD CNC(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1827677044 CPTYVOLBUWKYJC-BFTFCADCSA-N 444.536 0.876 50 20 ICGD O=C(c1cccc2nscc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736596 UDDIIUCIPMSIBE-APWZRJJASA-N 439.921 0.966 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1830768480 NNCIYKOHYYFPHC-MAUKXSAKSA-N 432.359 0.712 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312797 DWSLSBQFMKPAQO-RDTXWAMCSA-N 425.961 0.924 50 20 ICGD O=C(c1cc2cc[nH]c2cc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838570647 HECSEXZEJNRRME-FXAWDEMLSA-N 439.871 0.977 50 20 ICGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1)n1cnnn1 1838648351 RLZRGPQSQWILJQ-SMDDNHRTSA-N 447.309 0.923 50 20 ICGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1838961312 FPQGDZLAZOESFD-YLJYHZDGSA-N 425.913 0.422 50 20 ICGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n[nH]1 1839197947 NRGYVPDWFOHGHJ-XJKSGUPXSA-N 447.261 0.373 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840151752 NBLJTPQHCCKPTF-OXJNMPFZSA-N 436.896 0.887 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc4ccccc34)C2)C1 1840152674 PMPUYOOECMTSLN-LAUBAEHRSA-N 448.907 0.954 50 20 ICGD CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841925329 MEHWSZPMDKACPD-AWEZNQCLSA-N 430.933 0.848 50 20 ICGD COc1cccc2c1C[C@@H](C(=O)N1CCCC13CN(C(=O)c1ccc(B(O)O)cc1)C3)CC2 1845925474 CSIKEZSTMXZDLW-IBGZPJMESA-N 448.328 0.997 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(O)cc1 1847434210 OEUSFZSPXUVLTB-ROUUACIJSA-N 425.445 0.285 50 20 ICGD CCOC(=O)c1ncn2c1CC[C@@H](C(=O)N1CC[C@H]3[C@@H]1CCN3C(=O)[C@@H](O)CCl)C2 1847563744 PITWKYFNRQSKTL-HOSILWTGSA-N 438.912 0.424 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1nnc(C)c(O)n1 23311619 AOJAITDTEJAJIO-CYBMUJFWSA-N 426.524 0.737 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CSC(F)F 726717223 OHDYIUKLOWZFML-UHFFFAOYSA-N 437.490 0.743 50 20 ICGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)NC(C)=O 728269644 SMXFRSKQNZKOPN-HIFRSBDPSA-N 426.495 0.170 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)Nc1nc(CN2CCOCC2)cs1 728939207 ZVYBTVYGAJILJU-UHFFFAOYSA-N 446.537 0.835 50 20 ICGD COc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OCC(N)=O 732263867 PJRWICXCRUFQMF-VXGBXAGGSA-N 442.900 0.473 50 20 ICGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732265033 YDFASFXHDUUGFH-HZPDHXFCSA-N 440.566 0.976 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 732573801 YTLXOFLVZHDXTD-AWEZNQCLSA-N 427.461 0.782 50 20 ICGD Cn1c(NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)nc2ccccc2c1=O 733260863 CDTZZSPHINXSJD-UHFFFAOYSA-N 449.514 0.773 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 733795953 WDAHDJOFNVDFRZ-UHFFFAOYSA-N 427.280 0.960 50 20 ICGD CC(=O)Nc1ccc(O)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117146 BXDFSZTWQLMKQZ-UHFFFAOYSA-N 448.505 0.439 50 20 ICGD CC(C)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1C 746507490 ZYOWNXAOQUYOOM-UHFFFAOYSA-N 435.506 0.639 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 746816910 YEWKIBQBFHXXLM-CQSZACIVSA-N 442.497 0.887 50 20 ICGD O=C(COC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)NNC(=O)c1cccs1 746993630 TYGSAUIUKTXIPT-UHFFFAOYSA-N 429.414 0.512 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 747336323 FOWQCFWNTIYXCI-UHFFFAOYSA-N 432.458 0.900 50 20 ICGD O=C(NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N[C@H]1CCS(=O)(=O)C1 747713413 WFZWSRRFPNHERJ-JTQLQIEISA-N 425.448 0.849 50 20 ICGD Cc1cnccc1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755096193 OZJDYFNLPRDBNY-UHFFFAOYSA-N 447.517 0.598 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 758035978 PBEAMHICFTURSD-RDBSUJKOSA-N 434.559 0.745 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c2ccccc2c1=O 760799453 XSWJNTXDBGRSEG-UHFFFAOYSA-N 447.455 0.937 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nnc(C)n2C)c1 763658347 VARPTBDUKIUVBQ-UHFFFAOYSA-N 438.444 0.964 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)CC1 763843582 SFZGHONWAZZZBF-UHFFFAOYSA-N 429.452 0.742 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 763877483 KUPSLZVJLSVHTD-ZDUSSCGKSA-N 442.428 0.307 50 20 ICGD COc1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763917577 YHCQNDSXXGMBAN-UHFFFAOYSA-N 439.432 0.858 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccccc1CN1CCNC1=O 763973963 IQOFUHKQYWEJGK-UHFFFAOYSA-N 431.836 0.971 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 764002860 UDONKGGTMCCVFV-AWEZNQCLSA-N 449.460 0.925 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 764192157 KRNCKWIZHMEATF-UHFFFAOYSA-N 438.484 0.807 50 20 ICGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cn1 764358472 FVTAJPGNTBRYLB-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731684 AWQJGZLJTFZBLY-UHFFFAOYSA-N 426.473 0.679 50 20 ICGD CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731819 CCOVWZDKMMUEGC-LTGZKZEYSA-N 449.511 0.769 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 765754906 AJOBGDGCQYFVCQ-HNNXBMFYSA-N 428.942 0.040 50 20 ICGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNc1cnccn1 766257377 VJWUAYJAQKCCTD-UHFFFAOYSA-N 436.494 0.988 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)nc1 769151882 CSPJIHASMNGNKV-IAGOWNOFSA-N 440.570 0.772 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)nc21 770978883 AKGOCGPWXVNHHA-UHFFFAOYSA-N 437.507 0.601 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 771200366 VUSHDBVJYHKFTR-ZDUSSCGKSA-N 434.464 0.646 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 773700351 JJWSXVVXZCFOPJ-ZIAGYGMSSA-N 425.449 0.472 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)nc1C 778424831 CFOOUHYZIRLXAC-UHFFFAOYSA-N 447.517 0.949 50 20 ICGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427394 SKGSRTFOFDMYKJ-HNNXBMFYSA-N 448.295 0.372 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n(-c2ccc(F)cc2)n1 784004738 RRQBJIPAURBLGS-UHFFFAOYSA-N 428.380 0.429 50 20 ICGD Cn1ccnc(NNC(=O)C(=O)Nc2cc(F)c(I)c(F)c2)c1=O 785086810 SBIAKUAUJBKLNP-UHFFFAOYSA-N 449.155 0.745 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 785717881 NUHXPQRKBFXBMS-OALUTQOASA-N 443.500 0.669 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 786327372 SLOXWEXCKQHTMQ-INIZCTEOSA-N 432.864 0.849 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 795178267 XAUWVYUZGSWSAP-UHFFFAOYSA-N 440.547 0.873 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)n1 797370701 KCNLOTFKVBZIRU-UHFFFAOYSA-N 431.474 0.539 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)N=c3cc[nH]cc3)CC2)c1 802026075 MCLRFUGIPAIOFL-UHFFFAOYSA-N 432.506 0.117 50 20 ICGD CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NNC(=O)COCc2ccccc2)CC1 805140641 NKLBMWIMOBVPSJ-UHFFFAOYSA-N 441.506 0.386 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 809985726 SUXWZSWHGVZNQK-MRXNPFEDSA-N 439.476 0.836 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(c3ccccc3)CC(=O)C2)CC1 810413354 FLVHWUSODLCVTM-UHFFFAOYSA-N 443.529 0.762 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 815752085 BDXVGXNCNWFIHZ-UHFFFAOYSA-N 429.462 0.599 50 20 ICGD COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1OC 815778759 FFHRPBRFOFEZKI-OAHLLOKOSA-N 431.449 0.522 50 20 ICGD Cn1c(CCC(=O)NNC(=O)CC2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 819141118 VQCOJNWCERZORP-UHFFFAOYSA-N 449.533 0.474 50 20 ICGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 884129644 LUZGPRQILKGUBA-OAHLLOKOSA-N 427.596 0.595 50 20 ICGD CN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 914748832 INFNGGVZQLLNSU-MRXNPFEDSA-N 430.486 0.404 50 20 ICGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 917362600 VPNYNNUHTCGIQI-GASCZTMLSA-N 425.445 0.904 50 20 ICGD COC(=O)COc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 917982965 FHRVVFFIUMCJHR-QGZVFWFLSA-N 444.396 0.383 50 20 ICGD Cc1ccc(C(=O)CCC(=O)CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 919884519 GSXPXXSFKZFZDU-GFCCVEGCSA-N 429.520 0.886 50 20 ICGD CCCCNC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 920821887 QHTJWVPVQFOGLW-GFCCVEGCSA-N 430.483 0.740 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 1777944551 RMAZZYDMUQIFNH-HSZRJFAPSA-N 434.257 0.870 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030042 FHZDNXVNYRQGRB-QFIPXVFZSA-N 438.488 0.400 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Br)C2 1779535806 CNTWBDOGFXLXSD-UHQDVWGKSA-N 430.343 0.974 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)c1cc(=O)nc2cccnn12 1780038489 DBUIMGPNJWMIGB-ACWOFJMJSA-N 437.859 0.751 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057585 AGQRHSNHGXYLBO-JLTOFOAXSA-N 433.896 0.941 50 20 ICGD COc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1781187600 IZWORADYBFQKEU-HNAYVOBHSA-N 441.868 0.576 50 20 ICGD O=C(c1nc2ncccn2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781329897 NFQDCMSSAPJZIN-ZUZCIYMTSA-N 427.234 0.258 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1781899899 HCOHWVRKQBGNOB-UHQDVWGKSA-N 447.374 0.267 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233755 PPCWKSJOIAXPKO-JOCHJYFZSA-N 435.245 0.265 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C(F)(F)c3ccco3)C2)C1 1782717153 BXGFEVONFCDTSK-IBGZPJMESA-N 434.204 0.195 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)c1ccco1)CCO2 1783936069 CANCLWHWAVCRHJ-SFHVURJKSA-N 428.436 0.574 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784084665 ZMAAAWWRPIMNOY-LLLHUVSDSA-N 444.937 0.283 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784438496 ITLFKLZOYKBFLM-QXKUPLGCSA-N 437.990 0.701 50 20 ICGD Cc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1785289602 AQWYKBYVVDFMOQ-UFYCRDLUSA-N 445.564 0.675 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978646 HJLVXDZAPVEWTP-YYWHXJBOSA-N 444.337 0.309 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccs1 1791546959 RPALTTGYSYKIAK-CBVHJVASSA-N 442.346 0.825 50 20 ICGD C[C@H](Cc1ccco1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791676581 OXAMCOXKFGEAFE-GWKIZSTFSA-N 440.305 0.432 50 20 ICGD CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793498135 RQPQAJKSAZGICL-CRWXNKLISA-N 430.933 0.893 50 20 ICGD Cc1nc2ccccn2c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189127 ZCGMJEARBRKDKU-REPLKXPHSA-N 432.289 0.888 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CNc2ccccc2O1)c1ccc(B(O)O)cc1 1798365622 XABJVIWAANGYKX-IYWMVGAKSA-N 449.316 0.881 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1800638979 FRIRVJRDESSLCV-ABNPOPBRSA-N 425.327 0.845 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801916628 XBRZQTBBGQLESS-MHORFTMASA-N 437.924 0.845 50 20 ICGD CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1802688736 FYUDOMLCETUFSQ-QAPCUYQASA-N 435.488 0.949 50 20 ICGD CN1CCC(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CC1 1804932399 MSFBMWKLYXOIFD-UHFFFAOYSA-N 427.354 0.553 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cnccc2F)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366220 XSSDNMBEFYBFGA-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376320 YDZUXOMDCAHAJE-AVEGBXRASA-N 445.288 0.518 50 20 ICGD C/C(=C/C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1813072470 AETBBVAGXUAZAD-KVDHOEOVSA-N 431.493 0.491 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cn[nH]c3)sc2C1 1817556971 RYWFGBBHVZGVCM-SNVBAGLBSA-N 426.462 0.404 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)C(F)(F)Cl)sc2C1)c1cccc(B(O)O)c1 1826390200 BNAFNAGIABINPC-SNVBAGLBSA-N 429.641 0.880 50 20 ICGD O=C(Cc1cncnc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055848 HGXOCACBTUTNMG-OAQYLSRUSA-N 436.321 0.632 50 20 ICGD O=C(C(O)O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](F)Cl)C2)C1 1828523379 NWIULEVRPYWKOT-AUUYWEPGSA-N 443.859 0.284 50 20 ICGD O=C(c1nc(Cl)ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724128 DEKUNLPNFYIHLY-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726553 ZSEMYAWMXBUPIR-YVEFUNNKSA-N 436.267 0.544 50 20 ICGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830756879 LWFBXWCNWFLXBS-XLIONFOSSA-N 427.618 0.779 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 1831870568 DYXJIVNPTOEABN-GOSISDBHSA-N 448.568 0.587 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833041102 QCJOWTZDQIKPHR-VQIMIIECSA-N 428.917 0.210 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833309378 SDOWILABRZXAJZ-QGZVFWFLSA-N 427.977 0.440 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1)[C@@H](O)CCl 1833313615 MMGIYWBEUAGGSE-QWHCGFSZSA-N 428.730 0.848 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833555797 LTUFFXKGNLKABD-HNNXBMFYSA-N 425.917 0.621 50 20 ICGD C[C@@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833884472 HQYSXNSPNSVLJA-YJBOKZPZSA-N 425.961 0.691 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1834131317 ZXPNSIBPRUNPPY-GUYCJALGSA-N 446.273 0.851 50 20 ICGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1834131873 CIMUZWDGOAWISH-ACJLOTCBSA-N 442.310 0.944 50 20 ICGD O=C(CC1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834659875 BKQXTKFBBMDWFV-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835467382 XPHACIRMDRMEPD-SWLSCSKDSA-N 428.835 0.775 50 20 ICGD O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835730000 YAZIRHZQDXUBGU-LUJYGJGBSA-N 427.977 0.629 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(F)F)no3)CCO2)C1 1836247551 VOCZEOKJPCKQDG-APPDUMDISA-N 437.827 0.936 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnsn3)CC2)CC1 1837298393 HEUXGGZZLXIRLC-UHFFFAOYSA-N 438.554 0.523 50 20 ICGD CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718136 YDCNRWFYTHRUIT-YLJYHZDGSA-N 443.617 0.599 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838900765 QVSDGKBEZSPIJJ-JOCHJYFZSA-N 432.521 0.438 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839148335 VODAKXYXLQWFND-DNVCBOLYSA-N 426.901 0.589 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n[nH]1 1839199497 OYUAQPGLSHAOGP-CJNGLKHVSA-N 433.278 0.733 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840035921 KMBSRSJWSVVYHM-QAPCUYQASA-N 432.359 0.712 50 20 ICGD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1)N(CC)CC 1840150309 IBQHHLXRWSMCED-SQGPQFPESA-N 433.977 0.817 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3)C2)C1 1840151682 KYSAORPLTXXOMO-NQIIRXRSSA-N 440.924 0.948 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3OC)C2)C1 1840155483 DEMSMEDFACSAEH-DYESRHJHSA-N 440.924 0.948 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 1841556911 OBKYMTIJBFVMBW-FQEVSTJZSA-N 433.273 0.377 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1846348360 NWQCXIMZTIRIPW-DLBZAZTESA-N 428.294 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cncn1-c1ccncc1)C2 1846384483 YPWZTFPXMLXIGI-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 8667281 QXWAHRDSODJING-UHFFFAOYSA-N 440.368 0.585 50 20 ICGD O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(N2CCCS2(=O)=O)c1 14346927 AMORMGXIEICHPZ-UHFFFAOYSA-N 427.442 0.538 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 725873877 TYWPVHLCIHDUPX-UHFFFAOYSA-N 441.473 0.633 50 20 ICGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)CNC(=O)c1cccs1)C(F)(F)F 725874177 XVKKQZBDQLHNSH-HNNXBMFYSA-N 448.427 0.382 50 20 ICGD COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)Cc3nc(C)cs3)CC2=O)cc1 728723203 NEOLYZTUKBQTMX-CYBMUJFWSA-N 446.485 0.746 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730514632 BMUOHKYNJFPDMG-VIFPVBQESA-N 435.238 0.449 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(S(=O)(=O)N(C)C)cc1 730558684 OMVQGPFJTYOFKR-UHFFFAOYSA-N 426.480 0.166 50 20 ICGD NC(=O)C1(c2ccccc2)CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 734487305 PPXIHTXFTFAUEV-UHFFFAOYSA-N 425.445 0.875 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)COc3ccc(F)cc3)ccc21 735647090 GEMJOQQSEBMDJF-UHFFFAOYSA-N 428.420 0.691 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 740850187 XZCNRJSZNOFCPF-ZDUSSCGKSA-N 441.554 0.512 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 741385858 JBVIJENSKRCIAS-INIZCTEOSA-N 432.502 0.586 50 20 ICGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741451066 KIHWOPPWHYMNQL-KRWDZBQOSA-N 443.547 0.781 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 743268583 ZLUFDYQHDVYPFT-UHFFFAOYSA-N 428.448 0.664 50 20 ICGD Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 746054126 NKKKHUDFIRRIMB-UHFFFAOYSA-N 431.448 0.160 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 746219464 SQNWUEFYEKADIS-AWEZNQCLSA-N 427.442 0.020 50 20 ICGD Cc1c(C(=O)NNC(=O)Cc2cn3ccccc3n2)nnn1-c1ccc2c(c1)OCCO2 746550859 WYSHMUXQFWMRAV-UHFFFAOYSA-N 433.428 0.998 50 20 ICGD C[C@@]1(c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)NC(=O)NC1=O 748012899 PTSYEVYTJMFECZ-IBGZPJMESA-N 444.473 0.109 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 753025981 SBBMLUJMOPQKBK-ZUOKHONESA-N 433.465 0.515 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 756115596 UEJRQYIEGABUMQ-UHFFFAOYSA-N 447.473 0.799 50 20 ICGD Cc1nc(SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2c(C)c(C)sc2n1 758052927 KDLMQGFBPCPOIH-QMMMGPOBSA-N 431.565 0.794 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758839424 KDJGEIWXPNHBKX-HNNXBMFYSA-N 431.474 0.329 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c1 760279166 JKGHGXIPHYKKNO-UHFFFAOYSA-N 439.432 0.696 50 20 ICGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cnc12 761461591 BKXNAAOBCJBMFL-UHFFFAOYSA-N 449.876 0.467 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)c1 763719298 WQPQXNAKBXEFPY-UHFFFAOYSA-N 443.485 0.828 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 763837283 DNJGRWHQLGOWKS-UHFFFAOYSA-N 429.408 0.910 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 764284161 JVGRFQQWZHEGFM-UHFFFAOYSA-N 430.417 0.688 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1S(C)(=O)=O 764402323 ZACHAYWNVSCNHA-UHFFFAOYSA-N 437.499 0.982 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 764417892 FQHNTSLJQSROJI-UHFFFAOYSA-N 427.421 0.275 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 765677278 OJIDDGOJSPKFND-UHFFFAOYSA-N 445.501 0.488 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)COc3c(C)nn(C)c3C)CC2)cc1 765755719 RPUXHAXPXONFHN-UHFFFAOYSA-N 428.537 0.689 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCO[C@H](C4CC4)C3)nc2)CC1 765906756 XOCSOYFXEHBXPL-RDJZCZTQSA-N 438.554 0.601 50 20 ICGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)c1ccc[nH]1 771089067 CSISJSQKEWVZSI-UHFFFAOYSA-N 447.473 0.558 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776060921 AICGVQMUDACWIP-UHFFFAOYSA-N 437.453 0.637 50 20 ICGD CN(NC(=O)Cn1nnc2ccccc2c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205718 NZURDAQYXAVBHE-UHFFFAOYSA-N 445.480 0.427 50 20 ICGD COCCN(CC(=O)NNC(=O)c1cccc(C)c1)c1c(O)nc(=O)n(CC(C)C)c1N 777606898 WHJXFPJIWRTIOB-UHFFFAOYSA-N 446.508 0.410 50 20 ICGD COc1ccc(C(=O)NNC(=O)CO)cc1S(=O)(=O)NCc1ccc(Cl)cc1 777781531 ZIPKOUKNAMVDIA-UHFFFAOYSA-N 427.866 0.580 50 20 ICGD O=C(Cn1nc2ccccn2c1=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 779223143 FXDGUFYSHAOBLP-UHFFFAOYSA-N 445.486 0.897 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(OC)c1 782120394 CLWPQFOALMXNOQ-UHFFFAOYSA-N 426.385 0.518 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 784003759 NUWUKGZSUUFAAK-UHFFFAOYSA-N 447.864 0.498 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N1CCN(C)CC1 788166397 LWIKAHGCVCFASB-MRXNPFEDSA-N 443.595 0.383 50 20 ICGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)c1 790463745 XZBOYABACAXXLQ-QHCPKHFHSA-N 441.532 0.267 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)ccc1OCC(N)=O 791875485 RFSKIMOHWKQLQU-UHFFFAOYSA-N 435.820 0.831 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2O)cc(-n2cccn2)c1 792352730 HXMAUZLAJDMDID-UHFFFAOYSA-N 425.401 0.995 50 20 ICGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1C 795283953 ODLCGGXSGCRKEF-UHFFFAOYSA-N 430.446 0.771 50 20 ICGD COc1ccc(CN2CC[C@@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2=O)c(OC)c1 807578166 YOUSKPWZGJPYCX-DNVCBOLYSA-N 440.522 0.186 50 20 ICGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 813497237 CAJPGYXVWMHBBM-JTQLQIEISA-N 427.303 0.416 50 20 ICGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)c1ccc(-n2cnnn2)cc1 874085016 ZKQBHSUJABTKKL-UHFFFAOYSA-N 445.443 0.271 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNc1ncccn1 913044131 QWAKVHZDPZRLOM-CYBMUJFWSA-N 447.926 0.355 50 20 ICGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155987 NRCRHMCTPISUKX-KRWDZBQOSA-N 439.501 0.975 50 20 ICGD N#Cc1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 916407144 VVHUZUMPZMDDRB-UHFFFAOYSA-N 443.485 0.723 50 20 ICGD COc1cc(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OCC(N)=O 916640463 FDFYWJNFRLVUAL-UHFFFAOYSA-N 427.417 0.340 50 20 ICGD CCc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1 917725259 JVXRZYLBJTUPMT-FQEVSTJZSA-N 446.485 0.936 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1OC 919954634 OTFCHNVJRFETLI-UHFFFAOYSA-N 447.466 0.838 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CS[C@H]3CCCCO3)C2)C1 1779085862 QZQFFKIQJBYTPU-PMACEKPBSA-N 442.582 0.449 50 20 ICGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2)NC(=O)NCc1ccccc1 1780968939 IXRKHJJAYIAVBG-JOCHJYFZSA-N 429.521 0.573 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@@]3(CN(C(=O)[C@H](F)Cl)CCO3)C2)C1 1781113697 JPFKEWMQHMHVBH-BZIRYSOJSA-N 449.907 0.579 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3-n3nccn3)CCO2)C1 1783882173 WBMIGGHJFJARDW-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)CCC1=O 1786401323 XTVZCBWSMJHBAO-OBJOEFQTSA-N 429.315 0.359 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccc3F)[C@H]2C1 1789054045 BMVHVJBEGVAUQQ-NUTKFTJISA-N 442.451 0.126 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1790960306 ACLYKLGDSCHQFH-MHUUDPPMSA-N 442.354 0.974 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C[C@@H]21 1791254974 YBJGJOOCVDRVBO-VGWMRTNUSA-N 435.912 0.885 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791691486 XDPMVBWJVKRHSD-QMVSFRDZSA-N 429.319 0.387 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792527002 FUSYLNZWXCOIDW-UPHUGPLXSA-N 428.533 0.681 50 20 ICGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NCc1ccccc1 1792938721 YHNGRRNBDRSLBA-URNUCZBASA-N 435.908 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787273 FLGVBDJEBKREHO-OXIQGZBJSA-N 429.315 0.358 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccs1)c1cccc(B(O)O)c1 1794393062 XCEPCPCAWKDHIL-BJWYYQGGSA-N 441.318 0.110 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)CCOC1 1796367627 KRHLYECPIGKVCU-UUUMGPIQSA-N 449.907 0.794 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2 1796439492 HVGULRUQVUWEJQ-KYWHXAPBSA-N 447.389 0.610 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CC1)C2 1797750472 AYSCWLOVPVUFIS-GNXNZQSNSA-N 441.410 0.231 50 20 ICGD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1802557287 OVLKAVKZOZTOAW-SIKLNZKXSA-N 436.321 0.177 50 20 ICGD COCCCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802973482 MRNZKUVAUSKOFC-OXJNMPFZSA-N 440.504 0.826 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374243 GEZVIQCKUBPULC-DYESRHJHSA-N 433.277 0.047 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978925 YEHOSBUBAWXTQT-QGZVFWFLSA-N 443.353 0.516 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1810539272 ADIZTZSYCCJHDJ-TXPKVOOTSA-N 435.601 0.532 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@H]1c1cccnc1 1813074051 OFCGWKDBXACVQK-IERDGZPVSA-N 440.504 0.875 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CC2)c1cccc(B(O)O)c1 1815361625 LRRJVTNUYUHQCN-HIFRSBDPSA-N 429.307 0.475 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(=O)N(C)C)n[nH]1 1817172906 VRUXWMDHZUMHKO-GIEPYWIESA-N 442.480 0.624 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)no2)[nH]n1)c1cccc(B(O)O)c1 1817477009 VIUMWPAFRLICPH-AWEZNQCLSA-N 425.210 0.403 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)no2)n[nH]1 1819873440 GAJSULSCBMYTGE-ZDUSSCGKSA-N 440.420 0.722 50 20 ICGD Cn1ccc(=O)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820167749 RXBFMTDJBRRUFD-GOSISDBHSA-N 449.276 0.408 50 20 ICGD O=C(c1cc(O)n[nH]1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050977 ITBPJJHGNSZZON-SFHVURJKSA-N 426.282 0.342 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056056 RFNQGXQVGABKHY-SFTDATJTSA-N 427.354 0.694 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1830334530 GEYXCTOLBLFPBS-SUYBPPKGSA-N 434.331 0.141 50 20 ICGD Cc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724648 AHHPZIBRCYCTOI-XLIONFOSSA-N 425.913 0.379 50 20 ICGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)c1F 1833709453 WNTQBCMIPGEYBD-PIGZYNQJSA-N 447.305 0.721 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834647250 APUDZLJZRCMIIL-OLCUMFGGSA-N 445.520 0.767 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836811201 IXUWWJUIYHBSBO-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ncc[nH]3)CC2)CC1 1837339167 XQJFASWOWFJNBK-UHFFFAOYSA-N 426.282 0.016 50 20 ICGD CSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838280729 SJHNOOGBOSVGIZ-KDOFPFPSSA-N 429.926 0.473 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839146153 UZGFZKHYHMEREE-IFXJQAMLSA-N 426.901 0.753 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839964482 SQBCWRFUYLFHCS-MAUKXSAKSA-N 443.342 0.593 50 20 ICGD O=C(Cn1cnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840101105 XCWDXAOLSMNWJI-XLIONFOSSA-N 436.896 0.092 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840153268 JCEHGCJIEXSZAQ-YVEFUNNKSA-N 436.843 0.602 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1840153833 BRBXPRRXZJUPEO-BEFAXECRSA-N 427.885 0.419 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840154161 NQJKYXJPUPMTPA-PXAZEXFGSA-N 430.845 0.247 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365800 NYSPUUAEPYFWIX-QEEYODRMSA-N 440.928 0.225 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840438729 MVYDEHUCKWIXRF-RVKKMQEKSA-N 443.342 0.932 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C1 1841924917 PLEUVLJDNKRZAK-OLZOCXBDSA-N 445.948 0.769 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc(-c3ccccn3)nc2)C1 1842152717 XSAMXUHIYUNMMY-UHFFFAOYSA-N 437.504 0.729 50 20 ICGD O=C(c1cc(C(F)(F)F)ccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014295 VBKCMKLCLWNZAR-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843015374 ILVJKWTXUDAKDZ-UHFFFAOYSA-N 443.309 0.052 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844229076 HDZGDAVTFWSPMM-CBOPYVSYSA-N 431.497 0.031 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)[C@@H](O)C1 1845104046 RZRIEYSWNVUQEM-IHRRRGAJSA-N 431.917 0.017 50 20 ICGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 10292570 PXBBCLCCTXHPBX-UHFFFAOYSA-N 432.506 0.549 50 20 ICGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1c(Cl)cccc1Cl 727843876 NSYHBDRVUNJXJP-UHFFFAOYSA-N 425.294 0.599 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728959319 LAXZRGJNUCZNRB-UHFFFAOYSA-N 427.465 0.306 50 20 ICGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)ccc1S(N)(=O)=O 730891311 GUCGUOWZZQZTQC-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1 731904831 RUBCEIANGGJVDX-OCAPTIKFSA-N 434.569 0.614 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732236227 PTAKSHGUDITRBZ-INIZCTEOSA-N 428.511 0.193 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474656 RZYAUOVAOPQIRV-ZDUSSCGKSA-N 448.929 0.781 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733045357 JHVILHIXECNGIG-UHFFFAOYSA-N 438.428 0.799 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[S@](=O)C(C)(C)C)nc2)CC1 741413175 PHJCYELYVXMVGF-NDEPHWFRSA-N 446.599 0.191 50 20 ICGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc[nH]3)c(Br)cc21 741648141 WSDDIXMPCARIIY-UHFFFAOYSA-N 428.268 0.591 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 743831439 XDBJMTPMLXVZJZ-GASCZTMLSA-N 436.490 0.808 50 20 ICGD COc1cc(C)nc(NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 746633552 XCMMYNRGXOYBTJ-UHFFFAOYSA-N 427.508 0.562 50 20 ICGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1 748247283 XCFGWJTWXOTGCJ-GASCZTMLSA-N 436.534 0.737 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=S)NC[C@H]1CCOC1 749734735 RQVDRGKINDVBAO-OAHLLOKOSA-N 425.986 0.989 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 756502116 FAHADXZZDJZRPR-YFKPBYRVSA-N 437.406 0.708 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 758204577 VUTRKISQJWXOIW-UHFFFAOYSA-N 426.417 0.492 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)n1 762976223 OJJCYRLPHOLBKH-UHFFFAOYSA-N 436.431 0.911 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)nc3ccccc23)c2ccccc2O1 763613622 AYHUIYLDFDMWKM-LJQANCHMSA-N 447.451 0.844 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)cc1 763658862 FUDUMWZFCYJJHR-UHFFFAOYSA-N 428.401 0.817 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cn1 763677978 AMLNKEQTTUBVEC-UHFFFAOYSA-N 442.432 0.218 50 20 ICGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763681082 JREPZSLQQXUVTE-UHFFFAOYSA-N 425.445 0.664 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)c(OCC(=O)N(C)C)c1 763754824 VLRQWYIYIINLPE-UHFFFAOYSA-N 441.488 0.928 50 20 ICGD Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764002164 JOYRIRZVOABORY-AWEZNQCLSA-N 447.517 0.825 50 20 ICGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 764068206 HXYROJDURQZMLE-UHFFFAOYSA-N 445.520 0.636 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 764171383 KGHUSIHWCFJIFU-UHFFFAOYSA-N 438.437 0.677 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764400931 RGMRDGZKXWDPHV-CYBMUJFWSA-N 426.433 0.558 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765119042 LICFAMGADVYWQQ-UHFFFAOYSA-N 440.957 0.807 50 20 ICGD C#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1 765726257 AJHAFYJHSGMVCK-UHFFFAOYSA-N 441.513 0.139 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2cnc(C(C)(C)C)s2)n(C)c1=O 765727551 KMPBSBFICCPFIM-SREVYHEPSA-N 445.505 0.049 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)cc1 768233208 LFSQKZWEBIPELQ-UHFFFAOYSA-N 432.408 0.701 50 20 ICGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NNC(=O)C(C)(C)O)n2CC(C)C 768262251 VKUCFRHBSWKSQG-UHFFFAOYSA-N 436.513 0.606 50 20 ICGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1ccc(Br)s1 769409958 YNPNQKYBBHNIMH-UHFFFAOYSA-N 437.297 0.855 50 20 ICGD CCC[C@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770749936 QQTPRTDSSIPFCX-IBGZPJMESA-N 427.523 0.339 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc4c(c3)NC(=O)CO4)cc2)CC1 770811042 FKZVZGLEVTVXSH-UHFFFAOYSA-N 446.489 0.106 50 20 ICGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982305 GAFVDSCWNSKFAT-YPMHNXCESA-N 448.528 0.738 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNc1nc(O)c2cnn(C)c2n1 770991580 TUQYSJVUWQXQLE-OAHLLOKOSA-N 426.412 0.880 50 20 ICGD CCS(=O)(=O)c1c(Cl)cccc1C=NNC(=O)CSc1nnc(O)nc1O 774365213 PNCVNQYESWLAJB-UHFFFAOYSA-N 431.883 0.972 50 20 ICGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNc1ccccn1 777472654 VJEPHYIYECTTGR-SCOADAFUSA-N 438.531 0.918 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 784003455 GKQICXPRENACPK-UHFFFAOYSA-N 429.458 0.613 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1OC 786053126 BENHNTKAGQLXMU-CQSZACIVSA-N 448.863 0.792 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 788229865 DXBBZOKQPGCRLW-UHFFFAOYSA-N 445.548 0.157 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nc3ccccn3n1)CC2 792395147 PNEDXHZLPZIDHF-UHFFFAOYSA-N 429.462 0.060 50 20 ICGD O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCN(S(=O)(=O)CBr)CC1 807195800 HTRHEKJXLCUQFK-SECBINFHSA-N 436.250 0.366 50 20 ICGD C[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807504446 ARHJMYMIDGOPKX-CABCVRRESA-N 426.543 0.316 50 20 ICGD NS(=O)(=O)c1ccc(C=NNC(=O)Cc2csc(N3CCOCC3)n2)cc1Cl 807959394 RDMGGARZWLLGJF-UHFFFAOYSA-N 443.938 0.973 50 20 ICGD CN(NC(=O)CNc1ccccc1C(N)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 809763940 SSLRBWVNJJCGCN-UHFFFAOYSA-N 434.497 0.833 50 20 ICGD N#Cc1ccc(O[C@H]2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2)nc1 814296181 RRWZDZMDEJGTSJ-KRWDZBQOSA-N 436.476 0.854 50 20 ICGD Cc1cc(Br)cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1O 814785112 MUXXJNAZZMPKFE-UHFFFAOYSA-N 442.295 0.498 50 20 ICGD CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815751524 CRHANEASGGNKSC-UHFFFAOYSA-N 447.517 0.649 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2OC)cc1 906467034 JPVTZKBNRLREKZ-UHFFFAOYSA-N 433.895 0.880 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCN1 916391503 ALTKSWSEEDIOQZ-UHFFFAOYSA-N 440.416 0.311 50 20 ICGD CCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 920764933 AWJIQWHBXUNCKT-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NNC(=O)c1cccs1 1319870633 NXMVHXHSCMMKBW-CYBMUJFWSA-N 440.522 0.994 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccnc(-n2cncn2)c1 1322178950 PXIJZCNQKZWFCN-UHFFFAOYSA-N 429.462 0.440 50 20 ICGD O=C(c1cnn2ccncc12)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777988301 KATLZXRJLNLMEM-BBRMVZONSA-N 426.246 0.863 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1779030690 UPXANUJYRWDGSF-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780057587 AGQRHSNHGXYLBO-VLIAUNLRSA-N 433.896 0.941 50 20 ICGD Cc1c(Br)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1780363341 DNRWGXGLCZEWJW-ZBEGNZNMSA-N 449.733 0.534 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781775330 XRAYZYWCOMWABS-HNSFDTNUSA-N 430.343 0.667 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782681404 ZKTKVEGFZDPETJ-SJKOYZFVSA-N 443.298 0.564 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ncc1[N+](=O)[O-] 1784090860 PHGHAOYTRPVGAH-RKLWJJNISA-N 426.857 0.491 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccc1 1784329997 YWIMHHGCEIJJIX-YCRPNKLZSA-N 426.477 0.191 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cccc(=O)n1O 1785630905 HMPBMGYHHYOVEQ-JYYRZZBQSA-N 432.246 0.369 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979416 GKGBDICLZXHUFZ-BVSLBCMMSA-N 436.317 0.593 50 20 ICGD Cc1ccsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984411 FHIACYJRGJXRHX-SZMVWBNQSA-N 428.319 0.643 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cnc1C 1786984485 MBVFGUXTJZMDQG-YYWHXJBOSA-N 437.305 0.285 50 20 ICGD CCNC(=S)NCC(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1 1791602649 VXVINRIDWDBXLK-UHFFFAOYSA-N 448.593 0.978 50 20 ICGD C[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC(=O)NN(C)C)cc2)CCC1)n1cnnn1 1791603089 JESDUXBLRHVJLZ-AWEZNQCLSA-N 428.497 0.741 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1792184046 BWYICQIEPOCSAP-YYFQZIEXSA-N 436.322 0.961 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792696951 DTPQIACEVNCISI-FSDCSDTHSA-N 444.937 0.547 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 1792812463 QYFRAJSHPTWAAC-SIUYQDCVSA-N 446.523 0.892 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792981864 XZCVOXAFNASBEP-XGUBFFRZSA-N 431.917 0.043 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C)C2 1796440116 FDXZKCKOCQHEPN-CQFQAWKHSA-N 445.505 0.184 50 20 ICGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1799264264 FRJSBWRMCMJJJF-IARIHHJXSA-N 443.953 0.847 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2)[C@@H](F)Br 1799346984 HFCBKJVSJAHNBG-LMLFDSFASA-N 427.234 0.018 50 20 ICGD COc1ccc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1799638501 DFYJKYSJCLKNFM-VPTLXERWSA-N 432.521 0.580 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800673838 VGDFOEYPAXFETK-LFSVMHDDSA-N 438.294 0.791 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2nc1O)c1cccc(B(O)O)c1 1800924293 CAMHBWRHDBHFFO-BCDXTJNWSA-N 446.272 0.581 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC3(CC1)OCCO3)C2 1800979615 RMUQZHYMYGZAFC-YYIAUSFCSA-N 430.929 0.763 50 20 ICGD C[C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801175655 SCAPRWZRPYHWBD-NSAZKJPHSA-N 430.549 0.828 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCCN2C)[C@H]1c1cccnc1 1803167851 QIHXKATXCGCKFL-NNMXDRDESA-N 444.580 0.945 50 20 ICGD Cc1nc[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807376646 VLZILIGEWLHHLZ-XLIONFOSSA-N 433.277 0.426 50 20 ICGD Cc1noc(N)c1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809740840 OZGAXAVRLFWOQN-UHFFFAOYSA-N 441.492 0.722 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(CO)o1 1810826553 ONFVWPHKRLISJZ-LAUBAEHRSA-N 449.272 0.480 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cnn2c1OCCC2 1812116272 QPIPVJHOMMRCBP-UAGQMJEPSA-N 433.896 0.980 50 20 ICGD CCN(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812310821 IMPWCZGJTYKEGU-LKUPVBHCSA-N 438.337 0.421 50 20 ICGD Cc1nn(C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336729 ATRHHHPVVTZIEG-AWEZNQCLSA-N 439.306 0.404 50 20 ICGD N[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1ccccn1 1817332906 XVHKARMLVUQXSJ-UYAOXDASSA-N 448.292 0.490 50 20 ICGD CN1CCC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826088101 AQMVFMSOXJLWRC-KBPBESRZSA-N 436.582 0.770 50 20 ICGD C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CCCN1 1827056804 UYCNIJRQXSEZMM-NZQKXSOJSA-N 427.354 0.742 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827057529 HSJTZRKNMJRWKJ-UZLBHIALSA-N 441.337 0.290 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060548 PBJVWHJYYFJRLV-OZIPEELISA-N 441.337 0.640 50 20 ICGD Cc1ccc(OCCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830199587 BAGMWZLQAHQZHB-RXVVDRJESA-N 440.924 0.820 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831022921 BATZTYCYZUOOJO-DYVFJYSZSA-N 448.314 0.069 50 20 ICGD COC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1 1831874064 AOBOXNLIQDYGGC-INIZCTEOSA-N 425.530 0.335 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833074379 MHTKHGJNQOZFSB-CWIOURORSA-N 426.945 0.016 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833169341 NUZARVLBNWEOOY-ROUUACIJSA-N 431.320 0.712 50 20 ICGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)c1F 1833667037 HFABYDMCORMXII-PIGZYNQJSA-N 447.305 0.958 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)c1 1834824200 WKPPJKLTEDDEOY-KRWDZBQOSA-N 425.283 0.741 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1835025982 GSUAFGJBECUYOV-YLJYHZDGSA-N 426.897 0.294 50 20 ICGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1835833605 XAEBVCNKUICNSD-UHFFFAOYSA-N 438.649 0.249 50 20 ICGD O=C(CCc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836053193 WVRIWJVUXVNJSI-RDJZCZTQSA-N 445.289 0.556 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836128782 VMCYNTHBWGLTPG-IFXJQAMLSA-N 427.885 0.483 50 20 ICGD C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836862690 UCSLITVGHCMFMG-KRWDZBQOSA-N 436.553 0.396 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nc1 1839200205 DIPWRFBTSGHSCK-YOEHRIQHSA-N 446.273 0.851 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540459 FVEIHPMRCUHUNA-JXFKEZNVSA-N 436.896 0.658 50 20 ICGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)C(C)C 1840033657 MMVMFCXBKBRBQM-XUWXXGDYSA-N 449.342 0.814 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1844692079 DJYSUJCXIMTTJR-UHFFFAOYSA-N 428.405 0.779 50 20 ICGD Cn1cc2cc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)ccc2n1 1845599153 QHMFEQVQWNPJAP-UHFFFAOYSA-N 433.472 0.703 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845871747 JVKCLTHLDFGHKS-LICLKQGHSA-N 448.470 0.362 50 20 ICGD CN(CC(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1)NC(=O)NCc1ccccc1 1846709767 YXXHHPBOGAMGRW-UHFFFAOYSA-N 427.505 0.840 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1846920415 ISSNYDJFQKPXOV-UHFFFAOYSA-N 435.289 0.199 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(c2ccccc2)=NO1 1847762909 CQECYOQCUMTBMM-GBESFXJTSA-N 427.505 0.754 50 20 ICGD CCOC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 21772338 UDXOJGHDGPUVQM-GFCCVEGCSA-N 441.915 0.199 50 20 ICGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 24127537 FNFYBWGGTJEXPV-AWEZNQCLSA-N 443.547 0.447 50 20 ICGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1ccc(S(=O)(=O)NC2CC2)cc1 110553384 WYLGCRZSJUEWSQ-UHFFFAOYSA-N 432.458 0.729 50 20 ICGD C=CCNC(=S)NNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 725908764 SDZXWVYPSFGBFX-MRXNPFEDSA-N 442.563 0.832 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(OCC(N)=O)cc3)cc2)CC1 728213783 PUBKMRDMMIIPQS-UHFFFAOYSA-N 447.517 0.244 50 20 ICGD O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)NNC(=O)C1CC1 733193574 XOQSXLLEXHIESA-UHFFFAOYSA-N 430.896 0.565 50 20 ICGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117962 KGRDNNOURVTFAY-HOTGVXAUSA-N 441.554 0.435 50 20 ICGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 743831521 YRUHVPUIAKHMDI-UHFFFAOYSA-N 425.467 0.353 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1 744727237 ZHTOLCMNOKJMDE-QGZVFWFLSA-N 436.424 0.873 50 20 ICGD COCCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cc[nH]c1)c(=O)n2Cc1ccccc1 745194670 YATMPEYFLUUYQF-UHFFFAOYSA-N 449.471 0.533 50 20 ICGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 745738075 SNVDQHGFWPDLBI-UHFFFAOYSA-N 442.472 0.608 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 746098412 YMWXACXELSDTLB-QGZVFWFLSA-N 439.476 0.197 50 20 ICGD N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 750046657 GIVKYPDOUGDBNL-MYYUGOBRSA-N 433.490 0.380 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-n3nccn3)cc2)c1 755915226 IZXLQUGYMLSNLD-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1OCCN1CCCC[C@H]1C 758027953 AXTKXEOLIPIYNK-CABCVRRESA-N 426.539 0.639 50 20 ICGD Cn1cc(-c2nc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cs2)cn1 758534871 KVVLCNMXMSHXJW-UHFFFAOYSA-N 434.341 0.984 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 760369585 WLUDGLUFHWLYRV-UHFFFAOYSA-N 439.513 0.985 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1C 763646634 JJXLYMJBFLRMCV-UHFFFAOYSA-N 449.485 0.713 50 20 ICGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 763786492 OOLMBHXURIJPAZ-UHFFFAOYSA-N 433.424 0.828 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O 763790507 JNDGIJJFABSTAC-UHFFFAOYSA-N 431.355 0.935 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1C 763804139 LCILGMQTJQYFAU-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)nc2)c(OC)c(OC)c1 764100146 GWKYERQLJGDKIZ-UHFFFAOYSA-N 436.808 0.939 50 20 ICGD N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)n2)cc1 764116167 BMHOFYVSWJGCLA-UHFFFAOYSA-N 439.819 0.957 50 20 ICGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 764201801 DKSKNIJLKPNKQH-UHFFFAOYSA-N 433.509 0.605 50 20 ICGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 764299224 AGYXFZMLCUPWNB-PXLXIMEGSA-N 439.494 0.012 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 764317766 RLLYMJLGWQQIFC-UHFFFAOYSA-N 433.852 0.787 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 764318334 VVCQGVSVONLYPQ-UHFFFAOYSA-N 426.495 0.292 50 20 ICGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cccc21 764319111 KFOQRFJEPATZJT-UHFFFAOYSA-N 434.449 0.476 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)nn1-c1ccc(Cl)cc1Cl 764426989 XHWRDHLJFMLDBK-CYBMUJFWSA-N 442.259 0.989 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)c(C)n3)n[nH]2)cc1 768268262 MSLCXBHAQJLTMC-UHFFFAOYSA-N 445.505 0.421 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1=CC=CN2CCS(=O)(=O)N=C12 768288846 DTKYICAUKRMXKS-UHFFFAOYSA-N 430.421 0.474 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(O)cs3)CC2)cc1 768292189 WZZRZKXVSKFJPT-UHFFFAOYSA-N 438.531 0.530 50 20 ICGD CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CC(=O)NC)cc2)cc1 771855364 ZDRYXOQOFRKEBK-UHFFFAOYSA-N 434.474 0.783 50 20 ICGD CO[C@@H]1[C@H](C)[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1(C)C 776068258 ADGSSQYLUBIWHP-XOKHGSTOSA-N 440.570 0.703 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1C 778428258 AIENLUCMBPEULF-GFCCVEGCSA-N 432.462 0.644 50 20 ICGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)cc1 778441549 VOFLCMRFBQLNGD-HXUWFJFHSA-N 433.465 0.434 50 20 ICGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(Br)cc2F)cn1 783085033 AUDDTRQCWFEZSX-UHFFFAOYSA-N 427.234 0.955 50 20 ICGD C#Cc1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 784230749 QYSPSNBCQCYOHU-UHFFFAOYSA-N 441.513 0.686 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc(OC(F)(F)F)cc3)cn2)CCN1 784802087 POQQCHZDFYTJCZ-UHFFFAOYSA-N 438.366 0.998 50 20 ICGD CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 787093976 MMRQLIIQLRCDFD-MRXNPFEDSA-N 426.385 0.768 50 20 ICGD NC(=O)c1cc2c(nc1O)CCCC2=NNC(=O)Cc1csc(N2CCOCC2)n1 788981098 PIXSDDZVLLXWKW-UHFFFAOYSA-N 430.490 0.579 50 20 ICGD N#Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 792844633 WLSUJVANBFPMJA-UHFFFAOYSA-N 443.485 0.368 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21 792855845 UUPPTOKEYJGFBY-LBPRGKRZSA-N 435.506 0.500 50 20 ICGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)CNC(=O)c1cccs1)c1ccccc1 795310640 ACHKFLUBNGHNME-ZDUSSCGKSA-N 425.488 0.385 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 802032162 OMWOJKVJWCPRRE-OAHLLOKOSA-N 434.434 0.418 50 20 ICGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNc1ccc(-n2ccnc2)nn1 804951211 MRBWNTSTBKWCTO-UHFFFAOYSA-N 426.462 0.624 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 806975364 WGIDGHUSNBOLDX-UHFFFAOYSA-N 432.408 0.367 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(I)cc([N+](=O)[O-])c1 811642000 VODIBDYJJFXOPA-ZETCQYMHSA-N 440.219 0.587 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(I)cnn2C)cc1 814252990 PCCKDZOLWRMZRQ-UHFFFAOYSA-N 427.202 0.733 50 20 ICGD COC(=O)[C@]1(c2ccccc2)CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 814270751 QXBFEQVDPYQEED-OAQYLSRUSA-N 435.444 0.833 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Br 815691415 PKLFBDTUUWTXFE-SECBINFHSA-N 437.254 0.398 50 20 ICGD C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883553 BJFWDFMKXMKGBG-RKDXNWHRSA-N 437.305 0.629 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)CC1 1117635787 KLIOHXLKRKBJMX-UHFFFAOYSA-N 446.551 0.821 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(=O)C1)C2 1778094824 NRHPGVIPOBRFNV-CJFCWMOSSA-N 443.504 0.613 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1778198461 SDPRKUGZGGLHTA-ONZMFYCQSA-N 431.493 0.518 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C3CCCC3)C2)C1 1781277120 AXPAHAGDYDVAKC-BDNZGDGKSA-N 427.505 0.875 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cncn3-c3ccncc3)CCO2)C1 1783873768 UMAORNBJYIMGHC-JXFKEZNVSA-N 433.896 0.965 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937885 PQYVTCFGKXJALH-NRFANRHFSA-N 436.484 0.651 50 20 ICGD COc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n1 1784086164 VRQHBBQDLXNEFJ-LLLHUVSDSA-N 425.913 0.602 50 20 ICGD COc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1785013054 CHUFMBGQINMQSN-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1785178885 SAYBDKZEGVRRTH-KSSFIOAISA-N 427.841 0.647 50 20 ICGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)n(C)n1 1785615323 FKLNHSSOBMALLU-WRZDFSGXSA-N 433.278 0.713 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1792871217 RQBIWXIPHXOXQS-ZPQALQNUSA-N 428.327 0.442 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc2snnc2c1 1796191956 VCKQXTZNBBQNNH-MUJYYYPQSA-N 437.290 0.332 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(Br)cn1 1798029527 LEFSENSIALQUJW-RDBQEKCUSA-N 432.702 0.647 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(O)n2c1CCCC2)c1ccc(B(O)O)cc1 1798658523 WAGQWJCMMVEQKX-BJWYYQGGSA-N 438.293 0.170 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(B(O)O)cc1 1800528775 RKULLIFXLIYZAN-MUJYYYPQSA-N 441.224 0.979 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1800644499 WOVPBPOLWSIPTD-OQMKEHIESA-N 427.299 0.619 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CCC1 1800916120 VTXONEXYEJRIAD-HATOLVCRSA-N 448.328 0.692 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2 1801012455 GTKIRJARWMQOBK-SLAYPKMVSA-N 440.447 0.247 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1onc3ccccc13)C2 1801013072 TVSINTHTWQREKN-HBCWATKFSA-N 429.477 0.404 50 20 ICGD Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)cn1 1805654188 XMSDFCZFFHFWEG-KXBFYZLASA-N 448.487 0.447 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cscn1 1805741476 GTDRMUUNWJPWBR-QFBILLFUSA-N 436.302 0.851 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncnc1 1805787260 NTGKUWNJVBZSNG-FXAWDEMLSA-N 431.261 0.185 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](Cl)COC)CC2)C1 1805959265 BBAFRMUKHWASAJ-GJZGRUSLSA-N 437.990 0.799 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806358238 WIAQFIRNUMJJIJ-UHFFFAOYSA-N 444.337 0.943 50 20 ICGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)c1 1807369228 CMYVGVXURZOUBB-XLIONFOSSA-N 433.277 0.128 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1)C(Cl)Cl 1813077807 LSMQFCPSTDXZSA-ZQIUZPCESA-N 431.320 0.542 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471199 FWVOYTSUQFUHSX-SFHVURJKSA-N 436.281 0.372 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472543 WMRYEBZCMMLTKL-SUMWQHHRSA-N 439.281 0.086 50 20 ICGD Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)no1 1817478853 CMPBFPZWYZKHOD-GOSISDBHSA-N 437.265 0.935 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1820187510 ZZEDWTWSAYDAEH-CMPLNLGQSA-N 447.355 0.991 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)no1 1824186324 RFGOWMNINHKIDH-IAGOWNOFSA-N 440.928 0.932 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1O 1830245425 ZIOIMAJMULWTCO-MJGOQNOKSA-N 430.860 0.934 50 20 ICGD O=C(c1nnsc1C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728913 YZVBXANVDKNKQG-SJCJKPOMSA-N 430.914 0.085 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833035722 GRVMREGRGHVGCF-GOSISDBHSA-N 443.342 0.741 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833074381 MHTKHGJNQOZFSB-LIMHQNJXSA-N 426.945 0.016 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833386589 HIOJLWJSCHJYEP-UHFFFAOYSA-N 440.617 0.862 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845438 PYQUKLDCBAKUAI-MLGOLLRUSA-N 430.303 0.059 50 20 ICGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)co1 1834204041 JBVRHGQEZFJGBL-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD O=C(c1cc2c(s1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834543221 ITRVFGNTNYBJBH-LIRRHRJNSA-N 428.938 0.907 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834825501 ZBYAUKIOYIGSLG-JZUUQJBKSA-N 432.315 0.268 50 20 ICGD O=C(Cc1ccccc1Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835008674 SDACFJDNFCHDQV-QFBILLFUSA-N 431.316 0.939 50 20 ICGD C[C@H]1CCC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835506004 BJXGXZFRTRNYED-JTSKRJEESA-N 441.381 0.988 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836934901 XOKPTSBASJODLJ-QRWLVFNGSA-N 436.896 0.887 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3csnn3)CC2)CC1 1836942495 XVIVSELAOLFGMW-UHFFFAOYSA-N 444.322 0.144 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836988702 JHPZWPRQWZFSRI-UZLBHIALSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493345 AHWAKSMWSSKSEI-UTKZUKDTSA-N 442.940 0.395 50 20 ICGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712436 QMBNARCNCLFNSI-IBGZPJMESA-N 440.573 0.350 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837718181 ZHRDEVASVJTSHE-FQEVSTJZSA-N 437.569 0.516 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)nn1 1838352521 LOUUVXUXGKZAEX-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839059211 VWVRHNHZUGLTSX-SFHVURJKSA-N 426.311 0.866 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c1 1839199098 JBQVZGQWFVKMOX-HOCLYGCPSA-N 433.278 0.338 50 20 ICGD O=C(c1ccncc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200790 NGBYMYXZBUREIR-BBRMVZONSA-N 434.237 0.981 50 20 ICGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c1 1839200979 UGCQYHMAPGWZCY-RHSMWYFYSA-N 446.273 0.851 50 20 ICGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839436389 RGOMRDDBLOTXKP-VQIMIIECSA-N 437.859 0.872 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839656389 NPCYITHQTBWJDG-SYNHAJSKSA-N 425.913 0.316 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840151317 YGJBBELXJBHJTI-QCECMTGHSA-N 432.945 0.495 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840153247 IKKAROQMFNENRC-OXQOHEQNSA-N 436.896 0.658 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840153287 JQBUCEFROKQKOY-GUXCAODWSA-N 440.928 0.592 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)CC1 1840929681 IVJHHMRYVHXPCJ-KXBFYZLASA-N 446.386 0.958 50 20 ICGD COC(=O)CSCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841613616 JDPXGAQNNYVZRM-FYJGNVAPSA-N 435.506 0.230 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2c(Cl)ccc3c2OCO3)C1 1843706240 TXRYXHHRKYITLY-UHFFFAOYSA-N 442.664 0.879 50 20 ICGD Cc1ncc(C(=O)N2CC3(CCCN3C(=O)CN(C)NC(=O)NCc3ccccc3)C2)[nH]1 1845038239 IJYFCAOESADQPY-UHFFFAOYSA-N 439.520 0.881 50 20 ICGD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CN1Cc1cccs1 1847556750 PWZFOLVCQKJTBN-TUUVXOQKSA-N 425.938 0.898 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1=O 18055507 COSHLYWZXHGYLK-ZDUSSCGKSA-N 428.420 0.937 50 20 ICGD COc1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OCC(=O)N(C)C 725871800 QTZAHFKZGFBFAV-UHFFFAOYSA-N 447.448 0.016 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CC1 728213165 FWGKYFCXJBPHKV-IBGZPJMESA-N 432.502 0.906 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c(F)cc1F 732045155 BBOCFMPQUVVPBP-UHFFFAOYSA-N 433.414 0.552 50 20 ICGD Cc1cc(/C=C(\C#N)C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1C[C@@H]1CCCO1 732157506 VRKUCNDLEWDNGU-OABJIQBASA-N 443.548 0.756 50 20 ICGD O=C(NNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 732954017 HSYYAUACUOLVGA-VQCBNXJZSA-N 432.458 0.568 50 20 ICGD CCn1c(O)nc2cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)ccc2c1=O 734240614 QHJJMJUKGUSAKG-UHFFFAOYSA-N 434.453 0.591 50 20 ICGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 739034317 HPQVDENWUUWHKU-MRXNPFEDSA-N 439.538 0.136 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(-n3cncn3)cc2C)cc1 742034061 JVVCISIDALZSDR-UHFFFAOYSA-N 442.501 0.966 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746097170 NDOPEOQICRZXCG-CHWSQXEVSA-N 441.326 0.774 50 20 ICGD CC[C@H](SC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 746771858 HMTPSUQGJLFMIY-INIZCTEOSA-N 429.564 0.929 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 756656621 ZAUZGAMRGUTCEC-UHFFFAOYSA-N 432.437 0.226 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)cc1 758359598 CSRSUZAFGYRFFQ-UHFFFAOYSA-N 427.465 0.459 50 20 ICGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1Br 759626027 URLMJABHJJOXKY-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc21 760224711 XNMYIMIJILJXDX-OAQYLSRUSA-N 428.445 0.232 50 20 ICGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)c(OC)c1 761269353 ADBUOTGIDYQBPX-UHFFFAOYSA-N 442.519 0.794 50 20 ICGD O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)c3c[nH]c4ccccc34)cc2)C(=O)N1 763536480 QQTXRQGMPOTZNK-ZDUSSCGKSA-N 433.424 0.773 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 763643781 KHGRSOSCKYWTJL-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 763644838 NQJXQJKPXPZUHZ-UHFFFAOYSA-N 442.472 0.935 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763837290 DXVLWXQFFRTIPP-UHFFFAOYSA-N 432.408 0.506 50 20 ICGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 763871319 FTOQUAYPYLJSIY-LLVKDONJSA-N 438.437 0.287 50 20 ICGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)cc2)CC1 763881947 RLWGQKXMGZAZQW-UHFFFAOYSA-N 441.536 0.424 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764005428 XGUPVVTUBJTPDI-UHFFFAOYSA-N 448.457 0.108 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 764025158 NZDLFAKBMCBZHT-UHFFFAOYSA-N 440.478 0.756 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 764082173 CLPOLHNZPADNHG-AWEZNQCLSA-N 439.538 0.145 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cn1)NC1CCCC1 764166583 DCRHNCKXMHTUBA-KRWDZBQOSA-N 440.460 0.032 50 20 ICGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2ccccc2C)C1 764225769 QOHHCAFIIWGVBU-SFHVURJKSA-N 432.521 0.418 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 764346334 WZYGTJWZRASWDT-UHFFFAOYSA-N 436.428 0.640 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)cc1 764371291 JTBKPVNCSNBRMO-LLVKDONJSA-N 438.462 0.301 50 20 ICGD COC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)c3cncc(NC(C)=O)c3)ccc2o1 764433633 OVKSASSJKZQBRE-UHFFFAOYSA-N 439.384 0.973 50 20 ICGD CCOC(=O)NNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 765406168 ZHUHQKHQDNKJGI-UHFFFAOYSA-N 435.174 0.794 50 20 ICGD COc1ccc(CN2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2=O)cc1 767321674 QDXCETIMKSMHRA-UHFFFAOYSA-N 443.460 0.493 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 769764497 DHKAQELHVWWVJF-CYBMUJFWSA-N 432.593 0.616 50 20 ICGD CSCCNC(=S)NNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 770247434 MDSMNENCVKZLNK-UHFFFAOYSA-N 445.636 0.305 50 20 ICGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 770398114 DGWOHIJKYSQETF-ZDUSSCGKSA-N 426.485 0.301 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 772190082 FXCBAGKVDDVBEX-ZDUSSCGKSA-N 435.477 0.858 50 20 ICGD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 773645902 PJBFCGYTYFXLDD-KRWDZBQOSA-N 427.433 0.502 50 20 ICGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)[C@@H]1OC 776523230 KGADJXUXVINRTL-BBWFWOEESA-N 442.538 0.854 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CSc1nnc2ccccn12 782549821 UTMUGHHWSWXJTQ-UHFFFAOYSA-N 433.519 0.884 50 20 ICGD CO[C@@H](C)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 782736001 JVBUNKGXEPMUPD-INIZCTEOSA-N 426.539 0.264 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNc3ccc(Cl)cc3[N+](=O)[O-])cn2)CCN1 783290633 CJFPHTFWIXUDSV-UHFFFAOYSA-N 433.812 0.661 50 20 ICGD Cn1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc2c(=O)n3ccccc3nc21 784295896 IPVAVMKCHVPXJV-UHFFFAOYSA-N 429.400 0.237 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 786416651 HNFQVOCLKIRIGT-NSHDSACASA-N 445.314 0.648 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1C(=O)N1CCOCC1 787544561 UTNJILYHJCHXPO-UHFFFAOYSA-N 430.486 0.858 50 20 ICGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 788496457 PNOYQMQCXFYXEV-HOTGVXAUSA-N 425.488 0.216 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 792280506 QAHOGNGYNSZWJT-UHFFFAOYSA-N 444.879 0.723 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 796992968 YLOMIKYBMZEDCV-QGZVFWFLSA-N 442.428 0.046 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 799263642 SGTOJXHGXMKCQA-UHFFFAOYSA-N 439.428 0.436 50 20 ICGD COC(=O)N(C)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 804123607 FVTAKIYXXXOXSX-UHFFFAOYSA-N 426.451 0.499 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNc2ccccc2)cc1OC 823327913 NTDNUXDJJYPMSD-UHFFFAOYSA-N 436.490 0.632 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cc(Br)c[nH]1 849193768 CPGUBDFYSSEPET-SECBINFHSA-N 427.346 0.599 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 904490745 NZUFBSWBVISTFL-UHFFFAOYSA-N 438.448 0.049 50 20 ICGD COc1ccnc(NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)n1 914762895 ZLRXKYBGTRIHAS-ZDUSSCGKSA-N 441.897 0.815 50 20 ICGD Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 915056440 HZRLTLVTYBCLGV-UHFFFAOYSA-N 443.913 0.667 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c1 919806282 WICLHWPYDGWLJI-CYBMUJFWSA-N 436.456 0.972 50 20 ICGD CNC(=O)NNC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 919879279 YARHZAWGANSCIT-UHFFFAOYSA-N 447.945 0.841 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCc2ccco2)cc1 920855954 SAAQRCKYWFDPSW-PYUISTEWSA-N 425.445 0.913 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)s1 1317946620 ZKNMHHXTTQHTED-UHFFFAOYSA-N 445.544 0.454 50 20 ICGD NC(=O)[C@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(Cl)cc1 1356377733 DLYVYEULTKFQMM-CYBMUJFWSA-N 438.897 0.804 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1779035815 QJDUWJDZTNJCHC-BLLLJJGKSA-N 435.388 0.331 50 20 ICGD O=C(NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1cccnc1 1781326752 STWMBFBDPRTVAM-PBHICJAKSA-N 443.273 0.332 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1781897362 ISAORRTZNHDHBH-IPJQOSJUSA-N 432.315 0.782 50 20 ICGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1782002063 LWOIONRUIZPIFC-QIZIZJAASA-N 449.342 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCCC1)C2 1782210714 DMDZVIQBMSVTGW-XMSQKQJNSA-N 437.585 0.359 50 20 ICGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1783850911 XSTMPOMDJWQGKN-OBJOEFQTSA-N 436.900 0.276 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)Nc3cc(C)on3)CCO2)C1 1783874622 GCRNBHBXJAQSNI-SCLBCKFNSA-N 428.873 0.395 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784520417 OBQRAHHLDGFAHJ-PJSNJIKXSA-N 443.335 0.337 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1787393558 OZDDQDUQLDSHJM-HTVCTNPSSA-N 437.896 0.386 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C[C@@H]21 1788609798 KXFPHSATAVQJPH-CFZBIGKESA-N 439.875 0.203 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)c21 1789148962 FYOFMUCCVFWAPA-DDWPSWQVSA-N 436.896 0.472 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1790958504 RRWHJNVAXHYTPK-XUXIUFHCSA-N 432.315 0.592 50 20 ICGD Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791287933 FAZPUTJZKFJWAE-IHPCNDPISA-N 445.564 0.675 50 20 ICGD COC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)n4[nH]nnc4n3)CCC2)cc1 1791567718 GKTAKPWCTKUPLS-ZDUSSCGKSA-N 445.867 0.814 50 20 ICGD Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792681154 UICGQMAEQWREMC-CWPLJXCYSA-N 426.253 0.331 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(F)c1 1793552043 RHXZTEZGJZGJRV-YFXMYTFBSA-N 442.451 0.558 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714397 ZXWRJHZYFCUUEA-KOFHJDLBSA-N 436.310 0.804 50 20 ICGD Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740497 BXZHJRQZNJNPSF-ALOBAPJISA-N 436.317 0.682 50 20 ICGD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(C#N)c1 1796188430 FIJHKCVQBJXPPY-WKCHPHFGSA-N 447.300 0.741 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)C1 1796189664 NCDLHFHXVTZSGN-WPHMXFNYSA-N 428.294 0.208 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362656 AOSOPWXRGYRINK-XLWJZTARSA-N 449.907 0.746 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)n1cncn1)C2 1796892985 DOKMDULYRAEJTP-NTPMPSRCSA-N 426.481 0.611 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)C2 1796893831 XYALHAIKGREVLT-PPFVGVKLSA-N 447.492 0.374 50 20 ICGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)no1 1800758207 UYYDGMUTMPTXSR-OVZMXSCWSA-N 443.298 0.685 50 20 ICGD CCc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807361542 RHYMSQAXPDWYFM-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363429 OUKNQLHLYPESNU-NQIIRXRSSA-N 430.273 0.790 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371750 ZMSVPTXSAVEUGZ-QFBILLFUSA-N 449.276 0.273 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375745 VBBHMIJHLGFGFP-OXQOHEQNSA-N 436.252 0.862 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)nc1 1811459276 MJQLZLQQJDZPJY-LAUBAEHRSA-N 446.272 0.495 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cncc(F)c1)CC2)c1ccc(B(O)O)cc1 1815339572 HROBMXPQWJSCOX-OAHLLOKOSA-N 440.265 0.897 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nc1)CC2)c1ccc(B(O)O)cc1 1815343684 IVZVPAOQLFFGPC-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817310213 OPFHOSPSUXERAR-DGCLKSJQSA-N 438.554 0.295 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(O)n2)[nH]n1)c1ccc(B(O)O)cc1 1817470861 JHZYNSMSCHNYEF-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CNCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819794711 BWVFZOUBQCWQTR-LLVKDONJSA-N 431.522 0.367 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1ccc(O)nc1 1821481018 WCTZPDXNUAIGHO-CQSZACIVSA-N 438.274 0.463 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)cco2)CC1 1826223720 DQQUADKSVYXNCN-FQEVSTJZSA-N 438.289 0.867 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826879060 JPZMBPUHVSRAOJ-LBPRGKRZSA-N 434.526 0.110 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189254 JYMGOHZJOBYXCU-SFHVURJKSA-N 440.508 0.210 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278402 HFOAJPOEPDJHJT-CXAGYDPISA-N 428.283 0.173 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649232 HKXXBBFOHNUSBG-UZLBHIALSA-N 440.928 0.471 50 20 ICGD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834704474 GKPFPNORVPGDFI-UHFFFAOYSA-N 443.390 0.183 50 20 ICGD O=C(CCC1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935390 QEODMBUWUKLJJC-QHCPKHFHSA-N 444.337 0.407 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075447 TXXRGODTOGEHAQ-CXAGYDPISA-N 445.314 0.550 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837328304 WMEJHRXEANJTEF-CRAIPNDOSA-N 446.957 0.007 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838369167 UWUOOYFJWQJVNA-HNNXBMFYSA-N 442.948 0.572 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376668 HLXLNUBXSCPXSZ-BZNIZROVSA-N 429.271 0.036 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1OC 1838840497 SFGANFJTDUOTCX-YJBOKZPZSA-N 431.848 0.703 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840031268 KQDQZMFGXOIWGT-SUMWQHHRSA-N 429.315 0.582 50 20 ICGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840456517 UNVULKCOMJNESQ-SFHVURJKSA-N 441.326 0.651 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466512 LIQQMIHWVVSVAI-DYVFJYSZSA-N 429.315 0.202 50 20 ICGD CN1Cc2ccccc2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010659 PHWBPFZAFICKSW-OAQYLSRUSA-N 433.317 0.240 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 26963381 XSEFTIJAEZAKDD-UHFFFAOYSA-N 433.442 0.748 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(Br)cc1 728456494 PTVXPGSRBYYYSO-CQSZACIVSA-N 441.282 0.102 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1Br 729457406 FXMHKEJMBZFLLF-UHFFFAOYSA-N 445.299 0.719 50 20 ICGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)N(C)C1CC1 729617078 FVBJNZSKHOCEKZ-AWEZNQCLSA-N 425.559 0.127 50 20 ICGD CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 730333452 ZAZOLXCOUZCAAT-GFCCVEGCSA-N 428.536 0.776 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OCC(N)=O 730552792 MMIVMRHYOQRSMX-KFWWJZLASA-N 436.509 0.763 50 20 ICGD Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)c1 730750966 ZXVCLWKJUJWPOW-AWEZNQCLSA-N 427.417 0.370 50 20 ICGD CC(C)OCCCn1c(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)nc2ccccc2c1=O 733265665 IHNWZQQPRLIYNY-UHFFFAOYSA-N 444.448 0.075 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2ccc(C#N)cc2)CC1 735117062 NEUGCKSKBOKWEQ-UHFFFAOYSA-N 430.490 0.411 50 20 ICGD O=C(CCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735189608 DOXMBCBVIIZDHL-UHFFFAOYSA-N 435.462 0.836 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2nnc(O)c3ccccc23)C(=O)C1 741207854 UDSYUVNPUVGDPP-UHFFFAOYSA-N 444.448 0.176 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc(C#N)n1C 741233377 MGKUXVPWXRLVSO-PXNMLYILSA-N 441.517 0.815 50 20 ICGD Cc1nc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2csc(C)n2)N2CCOCC2)cs1 741766447 LMSIYLXYOHWMQX-INIZCTEOSA-N 449.562 0.908 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)NC2CCCC2)o1 744053101 ASEUEVMRNQANGQ-ZDUSSCGKSA-N 442.494 0.882 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 747728127 TZUQPCDMTSKMSO-LLVKDONJSA-N 429.408 0.308 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 747824094 MDJVQNJWFYGGJD-UHFFFAOYSA-N 425.492 0.923 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCc3ccccc3)c2)CCN1 749800952 PGYKQRGALNFQIQ-UHFFFAOYSA-N 430.486 0.201 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 751269151 KPCYQZZPWNQZNP-UHFFFAOYSA-N 434.499 0.958 50 20 ICGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c2C1 753266020 XXCFXYSMONSDAO-AWEZNQCLSA-N 436.513 0.648 50 20 ICGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c2C1 753266024 XXCFXYSMONSDAO-CQSZACIVSA-N 436.513 0.648 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755049551 OBYJGXOQMLJRJK-STQMWFEESA-N 439.494 0.101 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 755367122 MQYZNJVRUBIHHF-UHFFFAOYSA-N 440.503 0.807 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(Br)cc2)cn1 755426557 YMAZOQDZAWFCCQ-SNVBAGLBSA-N 427.280 0.831 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 756125491 VZWWLKOIXSVTGY-GFCCVEGCSA-N 443.501 0.174 50 20 ICGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)cc1C 757822814 NQAPSRHRCTTYLH-UHFFFAOYSA-N 426.437 0.803 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)c1 762680784 HYPDWDDPQXUKFT-UHFFFAOYSA-N 432.462 0.540 50 20 ICGD O=C(CSc1ccccc1O)NNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 763408801 DPHGYFKSGXHGTG-UHFFFAOYSA-N 445.544 0.413 50 20 ICGD CCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 763437496 DXMMUNUYFWTCLJ-UHFFFAOYSA-N 426.495 0.756 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1O[C@@H]1CCOC1 763573497 SMXKCEHQWKNXPB-ACJLOTCBSA-N 427.413 0.780 50 20 ICGD COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763662854 KYSXGDTZBCNTIR-UHFFFAOYSA-N 430.417 0.827 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763673701 IQNRUPLPKCTOGR-UHFFFAOYSA-N 426.385 0.275 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 763746250 RFAPZTNEOLSKKP-UHFFFAOYSA-N 444.513 0.770 50 20 ICGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(-n2ccnn2)cc1 763944604 NLLLTKBQRYPTQU-UHFFFAOYSA-N 432.400 0.558 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 764004826 ODDDDQFLPFXPHX-UHFFFAOYSA-N 446.265 0.827 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 764167759 MEIAFVVWQROKIW-SFHVURJKSA-N 438.440 0.249 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764228194 VNZCOLJQWUKHLP-UHFFFAOYSA-N 428.493 0.324 50 20 ICGD CCOc1cc(NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1OC 764259979 LYHWSSRFVZIUGI-UHFFFAOYSA-N 442.476 0.886 50 20 ICGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n1 764260314 QYZHVXFCOOCLPT-UHFFFAOYSA-N 448.487 0.973 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc2O1 764345295 FJYRAICLDOYQQG-HNNXBMFYSA-N 432.820 0.347 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764398400 HAFUDYSQHYIQRP-JTQLQIEISA-N 444.370 0.424 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2c(nc1O)CCCC2 766644883 XFEVHWDXYDHNKP-UHFFFAOYSA-N 437.500 0.885 50 20 ICGD C[C@H]1CC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CN(Cc2ccccc2)C1 767388372 RHCCVVQSVKPFSO-HNNXBMFYSA-N 437.504 0.448 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)n(-c2ncccn2)n1 768236294 ACZHTQHVGFAUEK-GFCCVEGCSA-N 427.396 0.663 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCCc2cn3c(n2)SCC3)c2ccccc2c1=O 768529485 PAWNBMUKEIMWMI-UHFFFAOYSA-N 427.490 0.905 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770623623 VRLONDIFJULTLL-UHFFFAOYSA-N 448.867 0.928 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)ncn1 783947987 FOQAVXRVCTUHQB-UHFFFAOYSA-N 436.494 0.904 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 790070325 NYLOEVWAUILTBN-BUXKBTBVSA-N 436.440 0.356 50 20 ICGD CN1CCN(C(=O)NN=Cc2ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c2)CC1 790173969 LCZDQAGYOQFUEM-UHFFFAOYSA-N 435.872 1.000 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 792798626 PDMJQRSDMOSWPG-INIZCTEOSA-N 438.440 0.315 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cccc(C)n2)c1 794077521 QMFBUSZKYYBHCD-UHFFFAOYSA-N 447.517 0.612 50 20 ICGD Cc1cc(Cn2nnc(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)c2C)on1 794195945 MNZQRUOVXVUBRT-UHFFFAOYSA-N 446.493 0.608 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCN2CCN(c3ccccn3)CC2)cc1 794717807 SDAVIZLXVCETDS-UHFFFAOYSA-N 432.550 0.987 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1C 798307956 JVULRNADVPQLSP-CQSZACIVSA-N 443.485 0.628 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)n1cnc(C#N)n1 798824005 WIVZBIYGOBBXGK-CYBMUJFWSA-N 431.478 0.347 50 20 ICGD Cn1[nH]cc2c(=NC(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccnc1-2 806493312 WPXWZARVEXVVID-UHFFFAOYSA-N 443.489 0.593 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1O 811682702 DECHGFOADHMAJT-UHFFFAOYSA-N 433.442 0.651 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1 813033646 DGJOLMUGSMWLPK-UHFFFAOYSA-N 447.473 0.975 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 814650992 VPEXRIZHZKTLIV-NSHDSACASA-N 426.416 0.686 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 815566759 DQTFIJUAQMZZLY-UHFFFAOYSA-N 441.400 0.778 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1c(F)cccc1Br 815691472 REMVIWIAWPAPAL-MRVPVSSYSA-N 425.218 0.528 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1nnc(C)c(O)n1 821680120 HFXIASVITRXTLQ-NSHDSACASA-N 430.487 0.568 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1 1318878744 SDUWVBFIOKFTCY-UHFFFAOYSA-N 449.485 0.676 50 20 ICGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1345367248 JXFITBBTGBYTFE-CYBMUJFWSA-N 430.490 0.409 50 20 ICGD C[C@@H](Nc1ccccc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778918344 HCBDIKWTIYJTFR-VGOFRKELSA-N 431.537 0.690 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncccc1F 1779892124 MCEWNDKXHZKVKL-XMSQKQJNSA-N 441.268 0.342 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)N(C)C(=O)OC(C)(C)C 1781031888 HAYADTGZIOHRON-TYILLQQXSA-N 433.933 0.671 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@](C)(Cl)CCl)CCO4)CC2)CC1 1781107814 AZCKEBORCPMXFF-OALUTQOASA-N 447.407 0.833 50 20 ICGD O=C([C@H](F)Br)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1781332850 FPXVAMISZMUKIW-UHIISALHSA-N 427.292 0.084 50 20 ICGD COc1ccc([C@H](O)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1783765181 GQFYUBOAVFHLIN-HILJTLORSA-N 426.897 0.308 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983365 ZUBWUYYQVRQBJT-RNCFNFMXSA-N 430.221 0.278 50 20 ICGD O=C(CCC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786683932 IUXUARDAARULJP-BPUTZDHNSA-N 428.216 0.302 50 20 ICGD CSCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611687 QUWDVKYWNZXUPF-JQFCIGGWSA-N 449.577 0.668 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791252318 GMRAVXFOPDXBAX-MHEUCROKSA-N 429.861 0.025 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791293803 JZSBXOUQYSRFBM-IHPCNDPISA-N 441.532 0.833 50 20 ICGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)CCl)C3)no1 1797826294 UBSOXNFMNKRCEV-YWVIFJGQSA-N 426.901 0.567 50 20 ICGD O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797889540 OCCWXSWZGGEIJH-LFSVMHDDSA-N 429.246 0.300 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(B(O)O)c1 1800715559 TZXNCMGGDUKCHW-MUJYYYPQSA-N 444.680 0.997 50 20 ICGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)c(=O)[nH]c1C 1800757557 GKUUKGMOOCUMPE-KNDHEWATSA-N 427.299 0.373 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc21 1802156704 VXVSOMKJDXYFAR-MUJYYYPQSA-N 447.499 0.987 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1802285278 VQPUFZDIULBIFK-CRWXNKLISA-N 426.857 0.649 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(F)cn1 1805980709 WNRHKYAIVUSLSA-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366960 WIOHHDFGVDOLRJ-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)no1 1807367186 JRBAUSPGPHQTEV-GCJKJVERSA-N 448.288 0.620 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1810304604 FLEBTYSZNYREAC-QRWLVFNGSA-N 448.487 0.366 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815164540 LOZLUKYNIAIFSP-KGYLQXTDSA-N 435.934 0.329 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1cc(O)ncn1 1815357735 YRAYIUOTLQFWFS-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD O=C(Cc1ncccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815996544 FOAZLUQIYLLGLT-KRWDZBQOSA-N 434.265 0.428 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475619 WECATOQCGMSFCN-SFHVURJKSA-N 436.281 0.372 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2O)[nH]n1)c1cccc(B(O)O)c1 1817477039 XDTJAELALHIKAO-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](F)Br)CC3)CC1 1818803122 ZJBAGUAPKRKTFF-YGRLFVJLSA-N 448.362 0.993 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818915036 DGLIUZMZZOEBEM-HOCLYGCPSA-N 426.949 0.903 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088595 YVUDQRPOJQWUPH-NEPJUHHUSA-N 436.538 0.119 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)N1CCN(C)CC1 1830236245 QONIMTDJBFIUQZ-NZSAHSFTSA-N 429.005 0.842 50 20 ICGD O=C(c1ccc2nccnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728584 VLODRINYCKFYOP-XLIONFOSSA-N 434.880 0.300 50 20 ICGD COc1ccc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830733318 IJUCZCKXDUESNV-FXAWDEMLSA-N 426.897 0.673 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790518 RSUPKGLAXUTYDD-MEDUHNTESA-N 447.717 0.983 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1835929482 QOEBFNYGAOFWAC-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1836062277 JVBHNXFWLPDCSV-ZBFHGGJFSA-N 433.278 0.110 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714574 WZQKWTILZUUTDB-KRWDZBQOSA-N 431.961 0.747 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920346 ZXRMHALPMRHNDF-LJQANCHMSA-N 436.745 0.996 50 20 ICGD Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](F)Cl)CC3)CC2)c(=O)nc1O 1838087025 XNRHFQDRWZVYTN-INIZCTEOSA-N 444.891 0.790 50 20 ICGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155317 QUZQRMJRUXFPOA-ROUUACIJSA-N 433.336 0.884 50 20 ICGD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197694 FTLNTNSYXJCBBQ-CZUORRHYSA-N 432.246 0.081 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839455965 VAKVXPVHSYUQJK-DNVCBOLYSA-N 432.851 0.943 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840031531 STBQENTXOKMWBO-SCLBCKFNSA-N 442.310 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1840154786 GMJUECXZQXBDBL-VQIMIIECSA-N 428.917 0.279 50 20 ICGD CC(C)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccn1 1840327581 PTOVDNUJSNVKNN-QRWLVFNGSA-N 425.913 0.415 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595885 KPROKYURJNSERE-KSSFIOAISA-N 433.343 0.921 50 20 ICGD COc1ccc(F)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840687297 GQYAKBHDQCFYIS-DNVCBOLYSA-N 430.860 0.504 50 20 ICGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)c([N+](=O)[O-])c1 1841353267 NTNXCHIUIZSFTI-CQSZACIVSA-N 425.825 0.798 50 20 ICGD O=C1Nc2ccccc2Cn2nc(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)cc21 1844640263 NLTGOZODNSFGQL-QGZVFWFLSA-N 443.891 0.914 50 20 ICGD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1[N+](=O)[O-] 1845205105 QUVPNIYGYONMTJ-UHFFFAOYSA-N 437.261 0.643 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1846561291 LSVJDGROMDIHIQ-CHWSQXEVSA-N 430.278 0.351 50 20 ICGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(C#N)n1C 728322382 SCFUMNOQOIHVFR-GDMVIRIFSA-N 449.423 0.643 50 20 ICGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728377174 DTWZOQCOFAKNQI-OCCSQVGLSA-N 443.547 0.129 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 728507183 NQUMEJYNNOSYKH-UHFFFAOYSA-N 442.263 0.904 50 20 ICGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1cccc(OC(F)F)c1 728598978 SUTFZNMNUIQAEH-UHFFFAOYSA-N 439.419 0.409 50 20 ICGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)c1 728825525 FUYZKHCSQWZQMG-UHFFFAOYSA-N 441.513 0.780 50 20 ICGD COc1ccccc1C(=O)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 731499994 VOGQANBNJFIBGC-UHFFFAOYSA-N 437.434 0.526 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)CCOCC(F)(F)F 731902321 GDCKQPAEOANSSU-UHFFFAOYSA-N 432.446 0.431 50 20 ICGD O=C(COC(=O)CN1CC(=O)Nc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1 733610913 FRJRFWYQDOTAEK-UHFFFAOYSA-N 427.373 0.358 50 20 ICGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Br)s1 742479792 FXUPSFVCHBRMED-DOZNWIKDSA-N 428.264 0.434 50 20 ICGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1cc(Br)c[nH]1 746702197 MFAZGFBLFOJSPF-UHFFFAOYSA-N 436.313 0.761 50 20 ICGD CCc1c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)[nH]c(C)c1C(N)=O 749242331 SELVBNXPKJTNBH-UHFFFAOYSA-N 449.537 0.072 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@@H]2CCCCS2(=O)=O)c2ccccc2c1=O 753274785 RVKSMCPUSGDOSV-ZDUSSCGKSA-N 435.506 0.889 50 20 ICGD CCc1nc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)co1 753485285 VJDRSFURGZIFNA-UHFFFAOYSA-N 436.490 0.652 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(I)c1 755389907 ZUJRFJVUXPQJIA-ZETCQYMHSA-N 426.236 0.382 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)Cc1ccncc1 755407735 DJMRSBPJZDADEC-UHFFFAOYSA-N 449.489 0.507 50 20 ICGD Cc1cc(Br)cn2cc(CCNC(=O)NNC(=O)C(=O)N3CCCC3)nc12 758692253 JMCANKSNIVUYBL-UHFFFAOYSA-N 437.298 0.901 50 20 ICGD Cc1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc(C(=O)O)c1F 763283926 UQMKFRVCOUYMHR-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C(=O)OC 763548636 OZNRJKRRFPAKRG-UHFFFAOYSA-N 443.368 0.388 50 20 ICGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1Cl 763572692 UMUAQDYKVANTSD-HNNXBMFYSA-N 432.820 0.626 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc2c1=O 763804631 NWEDLJCQROMLIB-UHFFFAOYSA-N 438.444 1.000 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1=O 763864531 CORIHPMHOWAIQQ-UHFFFAOYSA-N 439.428 0.221 50 20 ICGD Cn1c(C2CC2)nc2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 763921223 JNOBJTNWICEAEW-UHFFFAOYSA-N 445.443 0.826 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 764086749 VWYPGWZNUBAVGW-ZDUSSCGKSA-N 441.554 0.915 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)n[nH]1 764108458 IFTDCGRBFPLLJP-UHFFFAOYSA-N 436.494 0.455 50 20 ICGD Cc1nc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)cs1 764228147 UWUUWLGLBQALGF-SECBINFHSA-N 425.492 0.142 50 20 ICGD O=C(Cc1ccccn1)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764264729 RRGVJUXIJLCDQO-UHFFFAOYSA-N 440.485 0.857 50 20 ICGD Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427358 YZIHJDMWQHASQJ-DLBZAZTESA-N 427.461 0.619 50 20 ICGD Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764429858 ORGUPKJWYZQERJ-MRXNPFEDSA-N 425.401 0.555 50 20 ICGD COC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C 765752343 RPMKYBPZFRQVSH-SFHVURJKSA-N 439.944 0.986 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)C3CCCCC3)CC2)cc1 765756616 XZLGNLQPGCRLCK-UHFFFAOYSA-N 429.565 0.957 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 766885864 YTJOHDVCPPYCIM-NQIIRXRSSA-N 443.592 0.997 50 20 ICGD Cc1ccnc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)c1 767936728 DLDUIXYAXCEHBB-UHFFFAOYSA-N 431.522 0.860 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 768242585 UPHTXZFFTSGWOQ-MRXNPFEDSA-N 442.476 0.097 50 20 ICGD Cn1ccc(N2CCC[C@H](NC(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)C2=O)n1 770402028 PZRUDMKDLISHPN-LBPRGKRZSA-N 442.484 0.842 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770971977 DWPJLSJWARHUKJ-AWEZNQCLSA-N 431.478 0.674 50 20 ICGD O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCN(S(=O)(=O)CBr)CC1 777779959 UXVQRLOMOKRVSV-UHFFFAOYSA-N 446.302 0.906 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc12 777915132 PUVWCJUVEPKYPC-LBPRGKRZSA-N 425.488 0.542 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)cnc1-n1cccn1 782064453 HPOGGMVJZINGLT-MRVPVSSYSA-N 446.287 0.120 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cccc21 782892315 BNBUJTSRWFHXDU-UHFFFAOYSA-N 434.456 0.811 50 20 ICGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 783302944 IVCXPAUULCPUHV-UHFFFAOYSA-N 444.535 0.016 50 20 ICGD Cc1cc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc(C)n1 783326986 SLKFCLUUZVAPTC-QGZVFWFLSA-N 440.460 0.190 50 20 ICGD Cc1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 783934070 IWFKZXGQRIZQTR-QGZVFWFLSA-N 425.445 0.486 50 20 ICGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 793349984 BOTKJUUNWJPZIF-QGZVFWFLSA-N 436.442 0.769 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1C 794577016 PSIBUOGTNIVDIB-UHFFFAOYSA-N 426.476 0.050 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(Cl)sc1S(N)(=O)=O 798697141 CGOCIQHGXPHAGV-UHFFFAOYSA-N 445.906 0.904 50 20 ICGD N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c(C(F)(F)F)c1 799840818 QNAUUODZBDCLEI-UHFFFAOYSA-N 448.361 0.874 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCCC23OCCO3)CC1 806872840 OOTNHZLDVBXCNT-CQSZACIVSA-N 425.511 0.004 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 807235979 VEAOXSKCGHJUHH-LRTDBIEQSA-N 447.492 0.793 50 20 ICGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)[C@@H]1COc2ccccc2O1 807930017 PIMXTSZUWDOPSX-SFHVURJKSA-N 446.481 0.997 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCSC1 809933705 RDIQIPNLIXCVLA-INIZCTEOSA-N 441.575 0.931 50 20 ICGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)N1 810387244 MKCIWPNVZLUZLF-UHFFFAOYSA-N 438.375 0.946 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 815564886 WJOLSAVTHPEPQM-UHFFFAOYSA-N 443.338 0.390 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 894418686 AOSAQJPNZXXSTD-UHFFFAOYSA-N 448.491 0.495 50 20 ICGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 920744930 GVMVVHGSWGDWLQ-UHFFFAOYSA-N 425.511 0.272 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 921159622 PEYARFUQNRLPOQ-UHFFFAOYSA-N 431.474 0.760 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020694 CWAYIEITBVYPFN-IFXJQAMLSA-N 437.884 0.028 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1780097011 MZEAIWPFEYGIIM-LJQANCHMSA-N 444.404 0.396 50 20 ICGD O=C1Cc2cccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)c2N1 1781348663 AORFHKIKNQQFJV-WHSLLNHNSA-N 435.908 0.908 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782057466 ZBINGSBSXXGGDE-HSZRJFAPSA-N 433.273 0.304 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1O)C2 1782214155 GBOIIFFMTDFTJT-DYESRHJHSA-N 433.509 0.288 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2)C(Cl)Cl 1782219740 FCRFZZOTEZYZDF-YMTOWFKASA-N 434.242 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782361165 CXDMEITVYSDXCM-OAQYLSRUSA-N 428.493 0.151 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782519155 AHGYSPAHQRXXGZ-SPYBWZPUSA-N 426.901 0.623 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783345108 XSAZRNXCZYYEOO-APPDUMDISA-N 441.282 0.792 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783874942 ILSNIUBYKJRLHH-XNBYFLLNSA-N 439.900 0.204 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1783880090 BIVMAIVKOINQFQ-AVYPCKFXSA-N 438.912 0.284 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1783933876 KLBVXFVXQDQBFQ-OAQYLSRUSA-N 438.475 0.710 50 20 ICGD CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CBr)[C@H]2C1 1783969525 NPDUEJHKEORACW-OEAJRASXSA-N 432.359 0.866 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1784518429 LUYZOZJDCAZMNN-VGWMRTNUSA-N 434.631 0.498 50 20 ICGD CN1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO3)C1 1784780032 WFRUKHQGULUHMI-MGPUTAFESA-N 444.960 0.510 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787443758 CGZHYGKTJYFEPP-DLKVLKDVSA-N 447.916 0.754 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610923 APMYMFLVBVXAID-JQFCIGGWSA-N 449.584 0.130 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1789866601 UXHFIDCICSQRGS-JKFAMXTESA-N 433.292 0.717 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790577956 GVZQWHIXJSFDSW-LEAZDLGRSA-N 445.564 0.613 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1791064713 FLNBHYWZOZHUKG-RHYQMDGZSA-N 432.344 0.660 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1791253483 AJIOIQDSHJCUIE-OMZCGLGVSA-N 435.952 0.934 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1793450011 XWIBHSOCIXLOER-LOUJCGABSA-N 437.928 0.627 50 20 ICGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793802542 XJOWLZMYPCGNCY-ZSBFGKGUSA-N 430.343 0.764 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192038 DFQPYQAEUIUZMZ-BJWYYQGGSA-N 431.298 0.143 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1F)C2 1796441745 XIEPYICNWGPFEF-SUGIQXKYSA-N 442.451 0.558 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C1CC1)c1cccc(B(O)O)c1 1797195123 INLYEHLQTVPCCK-MUJYYYPQSA-N 426.307 0.661 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC=CO1 1797718519 CIUCNPVPEVCMGA-UNJQHOFTSA-N 429.477 0.403 50 20 ICGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440308 LCTXMTWUBHMFKP-FQUUOJAGSA-N 443.533 0.894 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nscc13)C2 1801012566 APTPSHVQYAGIOR-VTEUUUEMSA-N 445.545 0.873 50 20 ICGD CC(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363681 FGILYCJNVDLGCE-GHTZIAJQSA-N 425.294 0.506 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1809550530 IHQUCYASRHDEAF-SKBHOOIQSA-N 437.305 0.649 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1c1cccnc1 1810298691 LPAOYIXUXUAIED-HNAYVOBHSA-N 446.471 0.504 50 20 ICGD O=C(CCBr)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816785032 RJPUBBXXJVAGKN-CQSZACIVSA-N 446.346 0.473 50 20 ICGD CCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474792 GEPKKANEBVUWTF-KBXCAEBGSA-N 427.314 0.736 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817475618 WECATOQCGMSFCN-GOSISDBHSA-N 436.281 0.372 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cnn2c1OCCC2 1823994403 GYEHELXZRDXLCT-SKDRFNHKSA-N 425.898 0.948 50 20 ICGD CSCC[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826127457 XNNOBYIMGYMNCD-HIFRSBDPSA-N 449.363 0.163 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053102 VRDKATFLQXIPKE-KKSFZXQISA-N 443.353 0.467 50 20 ICGD O=C(CC[C@@H]1CCOC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1827318566 VMMWYAHFZWKBQI-CJNGLKHVSA-N 443.334 0.865 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1830537818 PQPOIXBRXFLHKB-SUMWQHHRSA-N 429.315 0.521 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1830724679 APBXUCDADUOCHF-ULMVMLMRSA-N 446.928 0.022 50 20 ICGD COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726912 WCSXPENVKPQCPM-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD O=C(c1cc(C(F)(F)F)c[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728123 PTKSVIOMDPJWEV-BBRMVZONSA-N 439.818 0.703 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C(C)C)n3)CCO2)C1 1832790995 CGTQSCCNKTVTAY-KUHUBIRLSA-N 444.916 0.446 50 20 ICGD COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306685 XKHJKSUHCZTTGO-HNNXBMFYSA-N 435.974 0.064 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823933 NPSCBKOMMSIUMP-GOSISDBHSA-N 443.342 0.810 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(OC)c3)CCO2)C1 1835035021 IDCAXYAMFQIGEL-GHTZIAJQSA-N 440.924 0.948 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835399935 DFVOYFSYXBZCCW-NQIIRXRSSA-N 445.004 0.488 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835652665 QUJVVQDPZZSGFI-BXUZGUMPSA-N 441.323 0.150 50 20 ICGD NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1836050698 DKCPKXSJOTUGAQ-UHFFFAOYSA-N 443.335 0.564 50 20 ICGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1836731547 ITWKNARLTDLGOY-QFIPXVFZSA-N 430.310 0.017 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccon3)CC2)CC1 1837559046 KLHXJRQJYCHLON-UHFFFAOYSA-N 442.476 0.599 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCn3ccnn3)CC2)CC1 1838789270 NHWCVOSCORZIEQ-UHFFFAOYSA-N 449.556 0.040 50 20 ICGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839202453 GCQKWFUCAKIRMQ-QDEPRCCBSA-N 435.290 0.701 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cnn1C 1840031085 FKEJABFVYICTMN-PXAZEXFGSA-N 429.315 0.582 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)Br)CCO3)C2)CC1 1840035346 NTRHTMAVQCSKFM-SUMWQHHRSA-N 447.326 0.570 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)C1 1841386138 BBMPGQILHOLCFH-RTWAWAEBSA-N 434.301 0.479 50 20 ICGD C[Si](C)(C)c1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)co1 1844249979 OUVBBUGAUFBHQR-UHFFFAOYSA-N 426.354 0.635 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@H](C)CBr)C2 1844284390 UHBJJDFQALJZBQ-RISCZKNCSA-N 433.299 0.716 50 20 ICGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 9839594 ZIBMGDJEUXLCNE-UHFFFAOYSA-N 435.414 0.757 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2nc(-c3ccncc3)no2)c1 14260573 KAZODXKXPGKHOQ-UHFFFAOYSA-N 444.473 0.776 50 20 ICGD O=C(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 728334760 QVDIQEBQYOSULN-DOMZBBRYSA-N 445.394 0.791 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 730090933 SJCCKMYNHQAGHH-UHFFFAOYSA-N 427.433 0.479 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC(C)(C)NS(C)(=O)=O)nc1 731761305 DNDSZDJOCJRINB-UHFFFAOYSA-N 436.560 0.066 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1OC 734686470 OLDQGXLFMZTJIW-KRWDZBQOSA-N 435.525 0.444 50 20 ICGD CCOC(=O)N1[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(C)o1 736549603 IQGAPOMWSQSHSA-RDBSUJKOSA-N 442.494 0.768 50 20 ICGD C/C=C/C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 737787171 IDBYIWYKVONKCB-XBXARRHUSA-N 438.488 0.788 50 20 ICGD CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739413959 TYTREJZKGSYIIX-INIZCTEOSA-N 438.550 0.516 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 744399650 VLDXCYOIPQPVIR-OAQYLSRUSA-N 446.511 0.742 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nccnc2NC(=O)C(C)(C)C)n1 745563211 FRTSOENAUCWRNU-UHFFFAOYSA-N 434.478 0.773 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 745906823 UOOCLBULKQZXSS-CQSZACIVSA-N 430.465 0.642 50 20 ICGD Cc1nnccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 752993068 NVAXSNPHMXUIRH-UHFFFAOYSA-N 433.490 0.200 50 20 ICGD COc1ccc(-n2cc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)nn2)cc1 755083352 BMQBIEOULCVZBQ-UHFFFAOYSA-N 434.420 0.396 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)NCC1CCS(=O)(=O)CC1 756138163 YHVRTVPARFRZJS-UHFFFAOYSA-N 434.312 0.983 50 20 ICGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757802692 AOIXIHIDIOHGBU-JSGCOSHPSA-N 446.551 0.492 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 758045571 CPTCTSRRXPOELJ-BDAKNGLRSA-N 437.305 0.431 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cn1C 764004851 PBBWEJSLASNKMP-UHFFFAOYSA-N 426.227 0.312 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 764082100 BKJYBDFVIDJDCR-BFHYXJOUSA-N 440.522 0.617 50 20 ICGD O=C(NNC(=O)c1ccc(Cl)cc1O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 764125132 SDBRQPVPMAHHPU-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(OC)c3O)cc21 764132376 NQDDYXCKYJVQNK-UHFFFAOYSA-N 427.417 0.797 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 764168624 FYSMAJUYVWUTCV-INIZCTEOSA-N 449.485 0.951 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccc2O1 764182506 NLSHOTDFRMAWMI-GOSISDBHSA-N 435.440 0.640 50 20 ICGD Cc1ccnc(Oc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2C)c1 764231380 OVPMRQYJRZAWOR-ZDUSSCGKSA-N 449.489 0.514 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 764424618 KBUPVRNSBJKFSD-GFCCVEGCSA-N 427.339 0.392 50 20 ICGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccc2ccccc2n1 764430395 PTCCMBRISVEZGJ-UHFFFAOYSA-N 433.472 0.915 50 20 ICGD O=C(NNC(=O)C1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 764595225 DQTSCFMARJVLHC-UHFFFAOYSA-N 437.522 0.870 50 20 ICGD COc1ccc(C(=O)NNC(=O)Nc2nc(CS(C)(=O)=O)no2)cc1Br 765242844 NXTCTHUVJZXSEC-UHFFFAOYSA-N 448.255 0.852 50 20 ICGD Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 767712644 LOTVEPZLURIHSS-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD Cn1nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC(F)F 767714938 MXEGSEQHCBQLKE-LBPRGKRZSA-N 426.332 0.166 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)CC1 767850542 LPUAUSLTKZQRCK-UHFFFAOYSA-N 427.346 0.208 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)nc21 770365372 VICBHZBYIPDJGX-CQSZACIVSA-N 440.464 0.804 50 20 ICGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1I 771845737 HICOFSHBPWOYQA-VIFPVBQESA-N 447.229 0.510 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 771916242 LUVSOTSKZIUSPC-OCCSQVGLSA-N 436.490 0.479 50 20 ICGD C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)NNC(=O)CC 771963120 MSRYADXZWQPLNJ-ASSNKEHSSA-N 428.445 0.641 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 776843933 BJGUGZXOFVQQLU-CZUORRHYSA-N 427.454 0.477 50 20 ICGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc12 778436891 QUSZWPRNKSOCDT-JTQLQIEISA-N 438.510 0.734 50 20 ICGD CCc1sc(C(=O)NNC(=O)CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1C 780352389 QUJQKZYHZWFOLX-QWHCGFSZSA-N 425.507 0.807 50 20 ICGD CCOc1ccc(NC(=O)C(=O)NNc2ccc(OC)cn2)cc1S(=O)(=O)N(C)C 782148479 WIQWWYKKXFUWLH-UHFFFAOYSA-N 437.478 0.821 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCS(=O)(=O)C1 783426034 LJSXEYVOYWSONQ-IBGZPJMESA-N 436.465 0.936 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 784002492 QRMMLCOEUJTNOF-UHFFFAOYSA-N 445.823 0.089 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1=O 785651485 UZJLPPKFFABPRQ-MSOLQXFVSA-N 430.505 0.632 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(Cc2noc(C)n2)nn1 787157479 UIQRJDAQZSAGGX-UHFFFAOYSA-N 449.811 0.298 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3nc4ccccn4n3)CC2)cc1 791259745 AXNFNFYKWXJYKX-UHFFFAOYSA-N 429.506 0.487 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 793007981 DGOJHTAVHMIUIH-INIZCTEOSA-N 440.508 0.630 50 20 ICGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794064826 QCKIXHXCANUHMJ-UHFFFAOYSA-N 434.474 0.674 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)c(C)c1 796991675 GYPGEIFWJHQGOI-UHFFFAOYSA-N 442.472 0.902 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)COc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 797609007 RQEOWZGBSZYJAV-NRFANRHFSA-N 447.513 0.976 50 20 ICGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)Cc1ccsc1 799258828 NBNKXRWYFLLGGY-MRXNPFEDSA-N 430.486 0.995 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC 802081745 AHZKDHVBOMMNAM-UHFFFAOYSA-N 438.890 0.466 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978932 JLDCBFHWJYWMNL-GJZGRUSLSA-N 437.456 0.187 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cnn4ccccc34)nc2)CC1 807462631 JVQDENAWQREQQS-UHFFFAOYSA-N 444.521 0.492 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NC(=O)c2cccs2)cc1OC 812862148 PJHLTNCBOOETDG-LLVKDONJSA-N 435.458 0.888 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CNC2=O)NNC(=O)c1ccc(Cl)cc1 814524134 MASZBQLLQQPLNJ-UHFFFAOYSA-N 430.804 0.640 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1OC 815286751 OLOLTSWHTMROTN-GFCCVEGCSA-N 428.463 0.223 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 815752601 YXGSYAAFZIULAM-UHFFFAOYSA-N 449.489 0.652 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCC2(CC1)OCCO2 916412617 NJGJEPATMGZWNG-UHFFFAOYSA-N 425.511 0.918 50 20 ICGD CCc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 917723471 GHZMYRFBKSEPQX-UHFFFAOYSA-N 440.503 0.864 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N[C@@H]1CCS(=O)(=O)C1 919887970 JUGLJTCQCTXNOI-JOYOIKCWSA-N 449.316 0.864 50 20 ICGD Cn1c(C=NNC(=O)COc2ccc(Br)cc2)nc2c1c(O)nc(=O)n2C 920361829 YIXFAOIQVPOUHZ-UHFFFAOYSA-N 435.238 0.664 50 20 ICGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cncn1-c1ccccc1)C2 1117423237 NQUOTMKUHQBMIP-ROUUACIJSA-N 439.520 0.900 50 20 ICGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1319047429 NZAUWLLFLPIYEQ-UHFFFAOYSA-N 439.538 0.025 50 20 ICGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1325335763 DKJZCHVPWHPPRS-UHFFFAOYSA-N 433.490 0.692 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778051227 HLWNJBJXPCHGQA-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298257 CHHFYYJWXSUZCZ-BEFAXECRSA-N 445.589 0.511 50 20 ICGD Cc1c(Br)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1780363340 DNRWGXGLCZEWJW-MEDUHNTESA-N 449.733 0.534 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782215034 VFOIRVHFOBCAFG-XHBSWPGZSA-N 429.366 0.985 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1783343295 SEVVNYWOOQGKOC-RDTXWAMCSA-N 426.311 0.852 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1783880104 BLAPGJZHBATSBV-LAUBAEHRSA-N 436.940 0.467 50 20 ICGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784375434 ZQWHSRVTIZFJCA-QCQGSNGOSA-N 436.322 0.963 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784550611 ZZOGSQMLSVVQFN-WODDTNHNSA-N 447.536 0.507 50 20 ICGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)n[nH]1 1785840384 ZOTNZGPSBWVGSJ-TXFQPVFDSA-N 431.262 0.896 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]c4nccc3-4)[C@H]2C1 1787329409 CKTIJDYBMNNLTR-WBAXXEDZSA-N 442.520 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)[C@H]2C1 1787415600 XFCIBYVUNDJZIW-KNJMJIDISA-N 435.952 0.934 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791253427 ACSNEVBVQZZKKE-MPTYRVRUSA-N 428.917 0.377 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)nn1C 1792872603 QXEMVHYTBQMTRV-MCYUEQNJSA-N 429.315 0.663 50 20 ICGD COc1ccc(-c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)n[nH]2)cc1 1792978352 RWWAYLUDMXMGRK-FTUNRGFVSA-N 448.907 0.888 50 20 ICGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)C1CC1)NC(=O)NCc1ccccc1 1793021748 SPGIKICZVVQEDV-REPLKXPHSA-N 441.532 0.950 50 20 ICGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CBr)C2 1793530344 SWUYOBFBGDYFGQ-YHQUGGNUSA-N 438.388 0.983 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1)C2 1797750733 RHFALQXYPNKJBI-YVWYUNDQSA-N 441.463 0.270 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)n1nc(C)ccc1=O 1797911122 KYDAQPPWGXHKGT-IVSAIRAKSA-N 440.928 0.130 50 20 ICGD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1799016635 GHTPXDJWBLNAPB-UPHUGPLXSA-N 432.521 0.662 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800638900 CHSIMJWXFPFAEV-FBKDDSFISA-N 441.282 0.552 50 20 ICGD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2 1800753340 HAFYGXPXADBZSU-USACIQFYSA-N 425.323 0.963 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1800756597 FTXFDDVAJWSYFC-NFFDBFGFSA-N 441.326 0.508 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801557781 CUUSWNAWZVNKIU-CCWDJLKJSA-N 446.460 0.285 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362276 JXINCYOQDPRIEZ-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CCCN1 1807365068 IPFLWDBJSQVKRO-GREBRCKQSA-N 436.321 0.223 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807618534 VSTRYAVURTVTLY-DZKIICNBSA-N 436.314 0.948 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812888606 PSBZOHIFADNJBH-IWTFSIHTSA-N 449.316 0.649 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnccn2)[nH]n1)c1cccc(B(O)O)c1 1817479037 GLZJRMZYFMYXNB-IHHMQQGQSA-N 446.276 0.899 50 20 ICGD N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)c1 1820306447 IMDQOUIHSLIPKL-SFHVURJKSA-N 432.249 0.909 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)c2ccco2)CC1 1823770657 GDGZNAYKEQIHOV-TZIWHRDSSA-N 440.305 0.926 50 20 ICGD Nc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)s1 1827051195 PPZGFGZRVUANLD-KRWDZBQOSA-N 442.350 0.952 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3c(C)noc3C)CCO2)C1 1833068996 ULEGQYNTEHBJPD-PXNSSMCTSA-N 443.928 0.934 50 20 ICGD CC(C)(CCl)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1833214422 AGLBLCMLULXQMD-IBGZPJMESA-N 445.004 0.474 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833762245 LTJYSGYFACORMD-HOTGVXAUSA-N 441.960 0.564 50 20 ICGD O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)ncn1 1833967448 XICAICUNVFCVGD-HNNXBMFYSA-N 427.864 0.894 50 20 ICGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)co1 1834204448 QWEAHTOPTSRFSC-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1835063906 KMVVSFVTOMCCGH-PXNSSMCTSA-N 426.897 0.294 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836155364 BVELCPSOCWOJMH-GOSISDBHSA-N 426.311 0.866 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839148979 PJHLTWLXSNSBSZ-XHDPSFHLSA-N 429.823 0.139 50 20 ICGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152384 XYGATJWJQXAFLE-IRXDYDNUSA-N 427.325 0.342 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840033996 WVZQRNRXVJBOES-BZNIZROVSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840153381 MMPGJKCXYBEHTC-FXAWDEMLSA-N 436.896 0.658 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840153755 ZCAGZGQDDPOXMN-XIKOKIGWSA-N 433.839 0.684 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187119 WMSVQRNNZOHUKJ-KRWDZBQOSA-N 425.309 0.978 50 20 ICGD Cc1cc(F)cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840239298 KFDSZWOFWMBNQB-YLJYHZDGSA-N 428.888 0.733 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448779 IZESBVOLGUQYAH-WMLDXEAASA-N 444.330 0.298 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2c(Br)cnn2C)C1 1843605324 BKWCUJIAHPQFSP-UHFFFAOYSA-N 441.330 0.373 50 20 ICGD Cc1nc2ccccn2c1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264106 FWFNMMQXRLYZCQ-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCn2nnc3ccccc3c2=O)c2ccccc2c1=O 26546846 MTVZBPYAWCKJMP-UHFFFAOYSA-N 433.428 0.373 50 20 ICGD Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 26633766 HBKKTCAETWBISH-SNVBAGLBSA-N 439.266 0.682 50 20 ICGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 27229539 QJAQUEYFXUDBAK-UHFFFAOYSA-N 444.513 0.591 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 109066735 WRPDUDQXYVWBCB-OAHLLOKOSA-N 438.550 0.983 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 726281321 MEXPIUWNRFUSOQ-UHFFFAOYSA-N 434.474 0.885 50 20 ICGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727268649 OZGATVVEHRVIRO-UHFFFAOYSA-N 427.552 0.105 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 729274452 LDXIVKHRYVESSH-SNVBAGLBSA-N 429.886 0.798 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2S1(=O)=O 731328343 BECRMAIUKBCADM-UHFFFAOYSA-N 435.433 0.620 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 731328526 PQXKQUVLWRHQBN-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD O=C(NNC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccc(-n2cnnn2)cc1 742481254 TXOBWDMARFWTND-SFHVURJKSA-N 425.424 0.636 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 744388599 RUHOZQSXXANTDV-UHFFFAOYSA-N 439.447 0.682 50 20 ICGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C(=O)N1c1cnn(C)c1 745916305 BTZLMSWEKJSSJY-WFASDCNBSA-N 438.448 0.449 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2cccc([N+](=O)[O-])c2)s1 747995059 MNIVGBLBMJRLKW-UHFFFAOYSA-N 427.464 0.714 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)CC2CCCCC2)cc1 748696795 TWPHBDLEURERMR-UHFFFAOYSA-N 438.550 0.850 50 20 ICGD Cn1c(CC(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)nc2ccccc21 753967825 QFUYWQZGQHLMLF-UHFFFAOYSA-N 434.522 0.403 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c(F)cc(C#N)cc2F)CC1 755811601 ZYTMZXMZFRGVOJ-UHFFFAOYSA-N 436.444 0.924 50 20 ICGD CCCc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc(Cl)c1 758037958 BJIMEDRZFOTCBG-JTQLQIEISA-N 428.902 0.572 50 20 ICGD CC1CC(C#N)(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 758157986 PFSTUBFJVSNXDK-UHFFFAOYSA-N 434.518 0.727 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c2ccccc2c1=O 760203420 LPWMOLLWCLCEBG-DOMZBBRYSA-N 430.465 0.174 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 763509471 QADNNMHMUPVEOX-JTQLQIEISA-N 425.408 0.785 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 763550319 CWDVCPWBMLSJTH-UHFFFAOYSA-N 444.444 0.618 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2cccc(OC(F)F)c2)c2ccccc2c1=O 763789864 GBWIDPJSSPBNSG-UHFFFAOYSA-N 431.355 0.935 50 20 ICGD COCCc1cc(NC(=O)C(=O)NNC(=O)c2ccc(F)cc2Br)n(C)n1 764084093 DOZNHSAVPSONIQ-UHFFFAOYSA-N 442.245 0.910 50 20 ICGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764152869 HDOJYBHAJSTOSG-OAHLLOKOSA-N 435.433 0.709 50 20 ICGD O=S(=O)(CBr)N1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 767849443 FFNXHXRZDKSWTJ-UHFFFAOYSA-N 438.369 0.589 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768634367 JDCAAMWJNUOCEY-WXSGPUQCSA-N 437.474 0.093 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3cc(C#N)cc(Cl)n3)cnc21 768711330 LSFYQUGAUZNVQY-UHFFFAOYSA-N 437.645 0.956 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cnc3ccccc3n2)c1 771477667 FITOFTIGOGFVFD-UHFFFAOYSA-N 428.474 0.753 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1 773479144 WYWCGFSEBXSGQH-ZDUSSCGKSA-N 428.449 0.857 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1nccc(OC)n1 773723913 IOALLUOOUVKZRV-UHFFFAOYSA-N 430.421 0.190 50 20 ICGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNc1cc(Cl)ccn1 778453373 UAGOZVFSASGDOX-AWEZNQCLSA-N 446.938 0.960 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cc(Cl)ccn3)cn2)C[C@H](C)O1 784856531 QDIPLQMSWWXPAH-RYUDHWBXSA-N 435.872 0.649 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cn1 789817770 JHJDHMZPGMMGSV-HOCLYGCPSA-N 432.458 0.144 50 20 ICGD Cc1cccc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 794080621 VBOFHYDFRVXWHO-AWEZNQCLSA-N 444.469 0.788 50 20 ICGD COc1ccc([C@@H](C)C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 794489130 WPOFOUOSUOQTNJ-NSHDSACASA-N 435.506 0.884 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 794763772 JTGVHDXAFKGNHL-LBPRGKRZSA-N 428.511 0.859 50 20 ICGD Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nnn1Cc1ccncc1 794780989 NTJWBGHOQDAKOL-UHFFFAOYSA-N 428.478 0.398 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(F)cc4nn[nH]c34)CC2)cc1 800517151 LXNAKPBHMUTXDR-UHFFFAOYSA-N 425.468 0.984 50 20 ICGD Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)NNC(=O)CC3CC3)cc21 800623061 FIQREPGFQVBIOV-UHFFFAOYSA-N 428.493 0.753 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N=c1cc[nH]cc1 802030140 XUSJFDIRFDJXJW-UHFFFAOYSA-N 449.489 0.576 50 20 ICGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)cn1C 802046401 ASKIKQCDPMLCOA-UHFFFAOYSA-N 446.436 0.851 50 20 ICGD COCc1ncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 806872166 FNDPCUQOHKUEHW-UHFFFAOYSA-N 426.524 0.378 50 20 ICGD CC(C)Oc1ncccc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 806873392 WLLKPZAKPSFGTM-UHFFFAOYSA-N 434.522 0.957 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 810345244 DTSCEPPCRABEEN-FPMFFAJLSA-N 432.543 0.355 50 20 ICGD O=C(CCc1ccccc1O)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 811682958 KGGVHCKENYCBGA-UHFFFAOYSA-N 431.470 0.962 50 20 ICGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 912919842 REKABUONFCYXFM-AUSJPIAWSA-N 429.521 0.862 50 20 ICGD Cn1c(CC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)nc2ccccc21 913081218 FLMUKTMKJNARQV-QGZVFWFLSA-N 437.435 0.523 50 20 ICGD CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 914789141 LDMJELBWMQMARP-UHFFFAOYSA-N 437.566 0.575 50 20 ICGD COc1cc(C=NNC(=O)C(N)=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 916272487 XZHZDJWLFBVIMJ-UHFFFAOYSA-N 431.401 0.876 50 20 ICGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccncc1 918547543 PTCARJPKBDCRHV-CQSZACIVSA-N 430.442 0.480 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886745 ZPNCPXJLKKVLFW-LBPRGKRZSA-N 446.551 0.203 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1CS(=O)(=O)c1ccccc1 1318338955 LCDJATPPYFDABK-OAHLLOKOSA-N 436.511 0.856 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3ccccc3)s2)n(C)c1=O 1319393821 MKJBORRLTQQIIV-UHFFFAOYSA-N 438.469 0.623 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCc2cccs2)cc1 1336358079 GMPZCZRQIJZJGD-LBPRGKRZSA-N 426.520 0.594 50 20 ICGD Cn1c(=O)cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 1338498460 DWSBACPTVZXXQK-GOSISDBHSA-N 437.408 0.683 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1781213610 RSOHTKFWPDATDC-PXAZEXFGSA-N 430.914 0.299 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=COCC2)C1 1782730600 ZAAAOMBCQFAKQX-DYESRHJHSA-N 429.477 0.117 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783536070 DJRTZJDQSNBRCG-MGPLVRAMSA-N 427.255 0.402 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1783537321 NMEBABJTBAKTII-SCLBCKFNSA-N 436.310 0.885 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21)[C@H](O)CCl 1784092209 KKXJNZCTEMKBPL-DEQVHRJGSA-N 425.848 0.061 50 20 ICGD O=C1CCc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)cc2N1 1784092848 WSINGLOVGUGPSY-ONIAQPFYSA-N 435.908 0.764 50 20 ICGD C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785016160 MWIWHSFYQUTENV-JQFCIGGWSA-N 433.534 0.198 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1785392621 MPAQZLMMWVUBNR-ATRRSMNPSA-N 437.447 0.996 50 20 ICGD Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984823 NLEQAIYXXVWJLE-LRQRDZAKSA-N 440.280 0.721 50 20 ICGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]2C1 1787395518 MMPZWVHLPJBJTE-QMHWVQJVSA-N 447.960 0.869 50 20 ICGD O=C(CN1CCCC1=O)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143894 SYYDJLFRWHGRRL-UHFFFAOYSA-N 435.289 0.737 50 20 ICGD O=C(C[C@H]1CNc2ccccc2O1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788547557 HQJWAPGYLAQGCH-SARNLOFESA-N 437.924 0.829 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccc1O 1790072008 NQYNOLPZOCFCRG-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1=O)C2)[C@@H](O)CCl 1792981749 RZLJJEVXCDBJAT-HIRMHNASSA-N 435.908 0.222 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736317 YLCQZUDWDJEGCJ-LAVAIGHBSA-N 438.289 0.037 50 20 ICGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191486 QKEMSFDRZWGXPC-HVRZVKTKSA-N 429.282 0.147 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891889 NDFGOLPYNZJHEZ-BAHBOTRBSA-N 445.524 0.466 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2cc[nH]c12 1797090840 BDPZAVSOQOYATE-XEMDLRDOSA-N 433.273 0.365 50 20 ICGD O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797784833 PXRPBKZFZAMZRO-OCVGTWLNSA-N 431.302 0.965 50 20 ICGD NC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)c1ccccc1 1798439222 PWGQMWOXTVLJKT-SFNKJDCFSA-N 436.516 0.679 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1Cl 1798801018 CCQMPVGSIVKWJM-CCWDJLKJSA-N 428.681 0.537 50 20 ICGD CC[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NC(=O)OC(C)(C)C 1799365358 XXRCWEIUQMNEJP-LBKYZSNHSA-N 447.960 0.869 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800158154 AOJPIHFQUSUUSG-WJZNIJOASA-N 428.262 0.627 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803232078 JQTATIXBVFASBR-IHPCNDPISA-N 425.294 0.098 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1805832802 MLTGTFIXYKQLFZ-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cncc(F)c1 1805845346 LCWVFBIEZOQANY-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCCCC2)[C@@H]1c1cccnc1 1806887617 ITRNZVQVCQIVDV-CVDCTZTESA-N 444.580 0.946 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366493 ZLJQMQMXWQMDNU-LAUBAEHRSA-N 448.263 0.929 50 20 ICGD C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCCN1 1808068589 FSYSPWXBPWKUEN-JXHRLWIKSA-N 436.321 0.223 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCc2ncc[nH]2)[C@H]1c1cccnc1 1813276717 QAMWZBLKOWVJLZ-VGOFRKELSA-N 441.536 0.816 50 20 ICGD CN1CCC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1814491545 RDAFABJECIMLBW-LJQANCHMSA-N 439.325 0.737 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(CO)o1)CC2)c1cccc(B(O)O)c1 1815360915 RFMKEMSLGADRFU-ZDUSSCGKSA-N 441.274 0.448 50 20 ICGD Cc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)[nH]1 1819793576 QBMMYPURXZQKAF-JTQLQIEISA-N 440.489 0.713 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@]3(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826262026 RQQILUCAZTZWMB-FMTVUPSXSA-N 437.689 0.973 50 20 ICGD O=C(c1ccnn1-c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728942 ZEQFTTLPBBYNRI-GHTZIAJQSA-N 448.907 0.542 50 20 ICGD O=C(c1cn2c(F)cccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735818 NLKBAOGSVRAGCT-LIRRHRJNSA-N 440.859 0.143 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1831649672 XQSMXXXOEGFYBB-FPMFFAJLSA-N 443.342 0.988 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1831656510 GDDCISOVOZROLJ-LIRRHRJNSA-N 442.900 0.425 50 20 ICGD Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833061929 HGEAUULFRQPTMP-QFBILLFUSA-N 429.901 0.280 50 20 ICGD CCc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1833519553 KCBCNSMRDZAILE-JXFKEZNVSA-N 425.913 0.968 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Br)CC3)CC2)N1 1836412315 DHGDQEWGPRTXJM-ZFWWWQNUSA-N 433.322 0.527 50 20 ICGD Cc1nc2ccncc2cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836837428 RYIRVYZLJXFNEM-WIYYLYMNSA-N 448.907 0.608 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837288899 JJHRPJMMHJMGJB-ZAHIEGGZSA-N 444.370 0.566 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837558346 FDJVRHQCXOUJSN-HLPXUMPJSA-N 427.885 0.706 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC34CCCN3CCC4)CCO2)C1 1839119277 NQPIXVQYOYULNM-UWJYYQICSA-N 443.972 0.715 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840149982 CWBNOWHUCCGDAZ-VQIMIIECSA-N 443.953 0.884 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Cn1ccnc1)C2 1843417146 BOYUHKNUISIXKS-HXNWEGJNSA-N 425.493 0.857 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1844498263 ROCUFEILPPETRI-UHFFFAOYSA-N 431.261 0.282 50 20 ICGD O=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)=Cc2ccccc2N1 1844642293 LJSPSOKREVUEIB-UHFFFAOYSA-N 445.284 0.609 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)c2ccccc2c1=O 16231249 XOGPXZQXLHCCPP-UHFFFAOYSA-N 449.514 0.162 50 20 ICGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)[C@H]1COc2ccccc2O1 26977134 BLLUJURTYOCPGL-MRXNPFEDSA-N 428.357 0.308 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1C(=O)Cc2ccccc21 725860925 WUEIXCRUYNZLFQ-UHFFFAOYSA-N 444.517 0.821 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)Nc2ccc(C(N)=O)cc2)cc1 726438299 UIYOFRNHHDQMSW-UHFFFAOYSA-N 435.531 0.732 50 20 ICGD Cc1cc(C(=O)NC2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c(C)o1 727479290 HDLFYIOHPKBSFB-UHFFFAOYSA-N 431.449 0.854 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCS(=O)(=O)C1 727671416 ZPEDVUCIUUXSQU-ZETCQYMHSA-N 431.717 0.847 50 20 ICGD COc1cc(OC)c(N)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728343459 RHRFPGBNMOHTCE-INIZCTEOSA-N 431.401 0.430 50 20 ICGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(F)ccc1Br 728545651 AZHLMYOWZHIOJR-ZDUSSCGKSA-N 429.246 0.476 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc(OC)c1OCC(N)=O 729450364 YNPSUZIZHNKQBX-UHFFFAOYSA-N 426.429 0.984 50 20 ICGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)C(C)(C)C)CC1 731499408 UBXROHAANBEGAJ-UHFFFAOYSA-N 444.510 0.776 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1C 731992072 BQWLXOKEYSFKBZ-UHFFFAOYSA-N 441.400 0.723 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCS(=O)(=O)CC2)c1 732949839 MOWYTSULNJICQS-UHFFFAOYSA-N 431.536 0.303 50 20 ICGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2)CC1 734284497 XCKOQYJIPGZGHR-CQSZACIVSA-N 427.509 0.046 50 20 ICGD COc1ccnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 734770451 YFWIBKXFDDSONB-UHFFFAOYSA-N 448.501 0.505 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1C 741340518 FRMSEHNMHXVPBE-ZPHPHTNESA-N 434.474 0.840 50 20 ICGD C[C@H](C(=O)NNC(=O)c1cccc(Br)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744371560 BBSWPZIODQQZHS-OJGWYHNPSA-N 436.262 0.761 50 20 ICGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 745863499 VWBKJKKFRWHTTE-MRXNPFEDSA-N 429.525 0.796 50 20 ICGD O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N1CCOCC1 745988145 RIWCGSGBRIPBFL-UHFFFAOYSA-N 425.239 0.508 50 20 ICGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 746270271 SOJOUAXGPOAKAD-CQSZACIVSA-N 433.465 0.361 50 20 ICGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 750936272 BIDVODOYORXNGS-UHFFFAOYSA-N 449.533 0.780 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 751605778 AXTKJAVYITTXJX-UHFFFAOYSA-N 441.488 0.917 50 20 ICGD CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 753030434 GVYVAZDKGXAUFB-ZYSBOAIWSA-N 443.493 0.039 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c2ccccc2c1=O 753561527 CXFGYNUQGSZDOT-UHFFFAOYSA-N 447.473 0.643 50 20 ICGD CCCCNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755533718 FKVRRCHSVGMQCG-GFCCVEGCSA-N 432.524 0.352 50 20 ICGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 760509315 JLJMPRBBHIJGEZ-QMMMGPOBSA-N 427.298 0.202 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)c(OC)c1 761282723 OJYSPQPTSDYWMQ-UHFFFAOYSA-N 438.487 0.952 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 763438839 GAPHAGWUFULGMW-UHFFFAOYSA-N 428.467 0.632 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1OC 763568469 LNDLGSJTWHOBRB-UHFFFAOYSA-N 438.437 0.996 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 763597545 PHUVWOJHNJHLKT-UHFFFAOYSA-N 448.501 0.931 50 20 ICGD CCc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1S(N)(=O)=O 763624873 ORLJWEYRFBWEFU-UHFFFAOYSA-N 444.473 0.252 50 20 ICGD CCCCn1nc(C(=O)NNC(=O)C(=O)Nc2cccnc2OC)c2ccccc2c1=O 763801069 CNESNNFLCUXSDS-UHFFFAOYSA-N 438.444 1.000 50 20 ICGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccnc3)CC2=O)c1 763818192 CIXCTEGERRCQAM-CQSZACIVSA-N 427.486 0.734 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 763922288 UTXBMHOECPBTFJ-UHFFFAOYSA-N 431.315 0.384 50 20 ICGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1C 763962891 UNNREXTXSQPKID-UHFFFAOYSA-N 432.506 0.668 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n(-c2ccc(Cl)cc2)n1 764002492 NCZJNOHOEDLYLW-NSHDSACASA-N 439.881 0.355 50 20 ICGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)Cc2ccsc2)c1 764035120 UETUEGRIUDZKCY-UHFFFAOYSA-N 428.467 0.466 50 20 ICGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 764039875 BKXUQYLAJCBEOC-UHFFFAOYSA-N 426.355 0.970 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1-n1cnnn1 764160820 JTADGDORJPIFBJ-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 764298366 QQOGIDCRQHNJEZ-UHFFFAOYSA-N 440.254 0.906 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 764360138 IOGIEHVXYAYVMH-UHFFFAOYSA-N 435.462 0.755 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 764400554 QERIWTJPWMKQQI-CYBMUJFWSA-N 427.417 0.883 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1c[nH]c2ncccc12 765118548 LIENGQFANQEVAQ-UHFFFAOYSA-N 442.501 0.330 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2cnc3ccccc3n2)c1 765996289 XCHDDJCZZCMJLS-UHFFFAOYSA-N 428.474 0.871 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)cc1 766639854 AUTWUVGREBABSN-JOCHJYFZSA-N 429.565 0.907 50 20 ICGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644229 SMBOBGCEERQTQH-KRWDZBQOSA-N 449.577 0.240 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 771939749 KETBEXYFIXNMNW-LLVKDONJSA-N 447.460 0.855 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 784005033 XHOHJRCMHIWXQC-UHFFFAOYSA-N 447.835 0.576 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 784833975 WFNBWTMYLGEBFV-UHFFFAOYSA-N 437.388 0.740 50 20 ICGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2cccc(OC)n2)cc1 784843726 OYMMKJBYRFDHQL-GFCCVEGCSA-N 437.478 0.485 50 20 ICGD Cc1cc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1S(N)(=O)=O 793200787 CZRVHJIDHCSUFI-UHFFFAOYSA-N 449.489 0.399 50 20 ICGD CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 793309762 QUFMGBNDYWRTCR-IBGZPJMESA-N 430.553 0.788 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 800595199 UIKYROZQXRTPDF-UHFFFAOYSA-N 435.444 0.815 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)Nc2ccc(Br)cc2)CC1 801996160 GJICQRDKIMGAOU-UHFFFAOYSA-N 434.316 0.179 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCN(C)CC3)CC2)cc1C 807382659 NBOHMJYQZZYMIE-UHFFFAOYSA-N 437.566 0.692 50 20 ICGD COCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 809956899 GNOMQGZQFCKZQV-UHFFFAOYSA-N 425.507 0.675 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccccc2)cc1 812728933 FOHRRYBPCUNUTD-UHFFFAOYSA-N 426.520 0.749 50 20 ICGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 813429184 BZSBRTXIRWGWBL-LEWJYISDSA-N 438.528 0.894 50 20 ICGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814287246 CWWGRYSZTFYMLX-AWEZNQCLSA-N 449.537 0.448 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 913580622 BORIIWVUPQDJIL-UHFFFAOYSA-N 443.441 0.278 50 20 ICGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)c1nn(-c2ccccc2)cc1O 914830639 MAEGYUKKVWUGNF-UHFFFAOYSA-N 430.446 0.103 50 20 ICGD COc1c(F)cc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1S(N)(=O)=O 915594805 YXRPJBCQLAOWPQ-JTQLQIEISA-N 443.428 0.778 50 20 ICGD CCCCOc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc1OC 916433404 ODELYYJXKYBDAV-UHFFFAOYSA-N 435.525 0.982 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 917717541 JHOMEYZZVKJYHU-UHFFFAOYSA-N 427.508 0.218 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1116475706 CVWDLVHGUOJNDP-SCLBCKFNSA-N 427.479 0.141 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778583060 RSBBGSKSVWBEHT-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CSC3CCCC3)CCO2)C1 1779029692 XAYPZKGKABYZBG-NRFANRHFSA-N 447.561 0.804 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 1783844105 BJVVEJKWGKYXFH-WMZHIEFXSA-N 444.532 0.583 50 20 ICGD O=C(CCc1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785413914 HPCSKEHSZIDPSO-VDGAXYAQSA-N 442.346 0.654 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785627764 WDHQNPXBBCYYEN-OSFYFWSMSA-N 442.310 0.710 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507063 VVFBREVGYHQOAP-NRPJQOQNSA-N 447.536 0.507 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1788771084 KTZDXVYTDFMZEI-WGIXJMRHSA-N 448.358 0.148 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794312150 DDHZAPUUEVXBPP-CRWXNKLISA-N 441.326 0.763 50 20 ICGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362645 AFFWDDKDLYWSKI-NDKCEZKHSA-N 437.896 0.650 50 20 ICGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)c1OC 1799348211 ACNWUBVCYJQUJD-KVQFHVITSA-N 446.273 0.993 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2ccoc12 1800051839 RPXLXVZCCCDFOU-XEMDLRDOSA-N 434.257 0.630 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1800758084 OHWZWJOYXNFHGI-NJBDSQKTSA-N 431.262 0.769 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@@H]1c1ccccc1 1800924134 QPHJVEPFNZRXNU-HVYFLLBWSA-N 434.301 0.373 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncccn2)[C@@H]1c1cccnc1 1805781457 HHOFXDFJTXUZBT-LPHOPBHVSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccncc1F 1808885110 XUSKVDRYMOGLOS-DYESRHJHSA-N 448.263 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CCSC(=N)N)C2)CC1 1809760801 KXXIAUBHUNUJEL-UHFFFAOYSA-N 426.587 0.607 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nccn2C)[C@H]1c1cccnc1 1813071259 RFYCIQFEZZCQBJ-APWZRJJASA-N 427.509 0.508 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CC(O)C2)n[nH]1 1814802343 OZPYEAHCLUTIQZ-ZEPSKSRBSA-N 427.465 0.485 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817360473 SUJHQHVOEWWQNR-JBLDHEPKSA-N 429.319 0.778 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)c2ccco2)[nH]n1)c1ccc(B(O)O)cc1 1817470031 GIYYWRDZWHOAIS-APWZRJJASA-N 438.249 0.722 50 20 ICGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)[C@@H]1SC(=N)NC1=O 1818096823 FSIDNFXOMQOGNX-DJFWLOJKSA-N 442.929 0.804 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410662 NTHIOUTYDPMYDS-INIZCTEOSA-N 435.529 0.643 50 20 ICGD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822531986 SLUIVIQQYJATAX-MRXNPFEDSA-N 436.302 0.686 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)N3CCN(C)CC3)sc2C1 1822697390 LWSBAOGFQZLREG-MCIONIFRSA-N 444.001 0.945 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830543488 SRKJIBIFIZWKIS-UGSOOPFHSA-N 439.310 0.987 50 20 ICGD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720028 QVGKEUSDSBRQEX-FVHSOHGJSA-N 443.840 0.257 50 20 ICGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1831173914 PACVJKYTSFTIAJ-OXQOHEQNSA-N 439.325 0.452 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)CC1 1831416107 OGHGZSAUVCKQSX-CRAIPNDOSA-N 442.520 0.055 50 20 ICGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1cncn1 1831877174 SWECDJTUWPMJKW-SJLPKXTDSA-N 433.557 0.832 50 20 ICGD CC(C)c1nc(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)no1 1833307935 DZEJJIBNKWFJPI-MRXNPFEDSA-N 441.960 0.907 50 20 ICGD Cc1nn(C)c(C)c1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833571611 PCTPFWIMCMYNPK-QGZVFWFLSA-N 425.961 0.822 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833573840 OWGDDZVVUJDLAM-SCLBCKFNSA-N 446.863 0.106 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870013 ZIRJIAZDHFWTKR-YWZLYKJASA-N 425.913 0.863 50 20 ICGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)N1CCN(C)CC1 1835081718 BHXUXKJKXMEISM-YJBOKZPZSA-N 431.984 0.728 50 20 ICGD N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)c1ccccn1 1835699935 SKFMOLOZNXRGDT-AEFFLSMTSA-N 441.326 0.323 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124810 RXJKXRNMUJCPGN-YWZLYKJASA-N 441.912 0.873 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839141978 AGRUWCJEIOTSQA-OXQOHEQNSA-N 438.912 0.285 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839624543 LGZVZFGXLNXSHW-KUHUBIRLSA-N 439.875 0.956 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839909879 KNAKDGKIMNNWKP-JXFKEZNVSA-N 426.897 0.645 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970115 FSTRFAUMYXKGPB-MGPUTAFESA-N 444.887 0.915 50 20 ICGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)s1 1840032333 VQFKOCSFTRJENQ-BDJLRTHQSA-N 447.355 0.629 50 20 ICGD O=C1CCCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840104634 RIYGUFPTZGLPTO-SFHVURJKSA-N 446.342 0.240 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840151532 FPXNFHODAHFGFK-ZWOKBUDYSA-N 440.928 0.182 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840152436 HYWKLOQYDYIYLO-MGPUTAFESA-N 440.880 0.739 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3nc(C)cc3C)CCO2)C1 1840348416 OUBYZNFIOGMPPG-XLIONFOSSA-N 442.944 0.600 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840728692 RZUUQMMUAHXKQO-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD COc1ccccc1C(=O)N1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841348205 OQQGQPPVFMPZFF-INIZCTEOSA-N 435.908 0.570 50 20 ICGD COCCn1nccc1C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1843509117 NRNUQFIKKOZLBX-BUVRLJJBSA-N 441.492 0.481 50 20 ICGD O=C(CCBr)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021781 DPENAFVGFKVHSU-UHFFFAOYSA-N 441.351 0.880 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1846385030 MIWNJKRMVLSSTL-FQEVSTJZSA-N 429.477 0.298 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 19395437 ZTGBTWZYXAGYCF-UHFFFAOYSA-N 425.850 0.866 50 20 ICGD Cn1cc(-c2nc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cs2)cn1 108248893 IRBQFTYUAUBSJR-HNNXBMFYSA-N 443.441 0.688 50 20 ICGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 726292846 JLBLVILJTBQZOP-UHFFFAOYSA-N 426.252 0.388 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCOc1ccc(S(N)(=O)=O)cc1 726379941 WTVPMFNHWLCJPJ-LBPRGKRZSA-N 425.438 0.857 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 726822672 WEGVSVQFOAQSSX-UHFFFAOYSA-N 449.847 0.717 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CCCc2ccccc2)c1 727861157 YHVNMJOOSGSZMT-UHFFFAOYSA-N 446.529 0.837 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845932 QQYYRPAVJZQRDU-INIZCTEOSA-N 438.554 0.435 50 20 ICGD O=C(CSc1nnc(O)nc1O)NN=C1C(=O)Nc2c(Br)cc(F)cc21 730558560 KSHVSJQUKKZMML-UHFFFAOYSA-N 443.214 0.749 50 20 ICGD O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)NC1CC1 730999253 RFFFZNCOTHCKJP-UHFFFAOYSA-N 432.296 0.429 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 731470001 IJMKSJXUHSDQCD-UHFFFAOYSA-N 442.520 0.115 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CCc2nc(O)c3cnn(C)c3n2)cc1C 736730262 PXPGICVUGIJJST-UHFFFAOYSA-N 446.489 0.938 50 20 ICGD O=C1C[C@@H](Cc2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2)C(=O)N1 741143929 ASMQKKXMYORUDF-CQSZACIVSA-N 443.485 0.260 50 20 ICGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 743845538 QWGZGUNPLXGZSA-UHFFFAOYSA-N 444.411 0.061 50 20 ICGD O=C(CCOc1ccccc1)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 747076438 LNKNKQOHCDBXDB-UHFFFAOYSA-N 433.486 0.938 50 20 ICGD CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 751282082 JCIANENZBFEOPP-UHFFFAOYSA-N 435.867 0.076 50 20 ICGD O=C(CO)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 753445548 MPNRRKSEPWYNQT-MRVPVSSYSA-N 426.314 0.051 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C)c(C(N)=O)c2)cc1 756326421 IXINHBHQCZRAPE-UHFFFAOYSA-N 433.490 0.876 50 20 ICGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Nc1ccn(CCN2CCOCC2)n1 756644872 CQIJMFGVOHNPBK-UHFFFAOYSA-N 433.425 0.355 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2cccc(Br)c2)c1 758035024 JJTXROYOCDAIEA-VIFPVBQESA-N 430.284 0.334 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)cc(OC)c1OC 763539492 MEBQROIQHSBKHM-UHFFFAOYSA-N 440.416 0.693 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1 763624917 PKGBEJOHWHVWQG-UHFFFAOYSA-N 425.401 0.594 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 763917606 ZGKBPBFJQZKLBY-JLJPHGGASA-N 449.475 0.928 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 763957781 KEPOCCWZRPLCNK-AWEZNQCLSA-N 448.501 0.708 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 763973499 AFRGCGKGAUKWLL-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 763998308 OXPBIXIXPWRWJW-UHFFFAOYSA-N 438.238 0.810 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 764002156 JOCWLCMZKXRRFA-NSHDSACASA-N 428.898 0.461 50 20 ICGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1 764109184 IBRJQMOGOFBOHA-UHFFFAOYSA-N 436.446 0.282 50 20 ICGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cc1 764199089 MZDNTAXXWFFDLG-LBPRGKRZSA-N 428.511 0.522 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 764227737 QZHNJXFBOKJQCY-VIFPVBQESA-N 425.467 0.149 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)ccc1C 764353580 KUROUGTXDYWUNS-UHFFFAOYSA-N 447.517 0.749 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1COC 764398307 DYTRYFVOMOCOEA-SNVBAGLBSA-N 432.271 0.733 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 771998437 WJEKZMKBGMUBCX-AWEZNQCLSA-N 440.522 0.608 50 20 ICGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 773524109 MBCTYJYGDAOENQ-UHFFFAOYSA-N 448.501 0.962 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2ccnc(O)c2Br)n1 773639829 QSPNCGHVYYISPS-UHFFFAOYSA-N 443.279 0.790 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775459850 GZKGOMANVJDNMW-CJNGLKHVSA-N 444.492 0.557 50 20 ICGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780547579 INRFWQARXTWNDV-HIFRSBDPSA-N 448.436 0.538 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)nc2ccccc21 782888580 VIPISIUSPIKXFI-UHFFFAOYSA-N 437.395 0.017 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)nc1 783265882 ZPYATCWVPXDBPF-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3cccnc3Cl)cn2)C[C@@H](C)O1 784839037 GOZTWCCSECZXCL-VXGBXAGGSA-N 435.872 0.649 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785060506 IHMBGVHFCVFGFY-UHFFFAOYSA-N 440.485 0.630 50 20 ICGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785067773 MUMQOLOIEZROJL-UHFFFAOYSA-N 425.401 0.215 50 20 ICGD CCC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)sc2C1 789731437 HTEWKCDIARROIO-MNOVXSKESA-N 428.536 0.569 50 20 ICGD O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 792773935 ZHNNSEFSTFMUFP-UHFFFAOYSA-N 443.485 0.588 50 20 ICGD COc1ccc(NC(=O)C(=O)NCCSSC)cc1S(=O)(=O)N1CCOCC1 793079407 PABWBVZTDPXHHV-UHFFFAOYSA-N 449.576 0.782 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cnn(C2CCOCC2)c1 794599119 VCWIALQIOCKCGT-UHFFFAOYSA-N 437.478 0.471 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c(C)c1 796991216 ATADDJPFXOTEMI-UHFFFAOYSA-N 428.445 0.593 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1OC(C)C 799261347 ZEXKVVRRWLQRIO-GOSISDBHSA-N 427.479 0.397 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1 801109033 YOOGMCULGHMHQX-UHFFFAOYSA-N 427.442 0.590 50 20 ICGD COc1ccc(Cl)c(NC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 802109888 JSWGXBUYYKYWMS-UHFFFAOYSA-N 449.855 0.339 50 20 ICGD Cc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2ccnn2C)c1 802713006 YHXHTSJURGQMOF-UHFFFAOYSA-N 434.460 0.293 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 807371405 LAACDTBDWLSKNJ-UHFFFAOYSA-N 445.523 0.833 50 20 ICGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1ccncc1 810468070 JZNWEUVNWZPCSV-UHFFFAOYSA-N 427.280 0.513 50 20 ICGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 811631306 TVCDALICCURLEW-KRWDZBQOSA-N 436.534 0.801 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O 812445636 VHTBIJNYLAEYFP-UHFFFAOYSA-N 434.456 0.043 50 20 ICGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(O)c(Cl)c3)c2)CCN1 812980264 MTGQLIKBZKBYDP-UHFFFAOYSA-N 445.863 0.377 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)n1N 813366250 RERSQTMUEJSMCC-UHFFFAOYSA-N 430.494 0.228 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cnn1-c1ccc(Cl)cc1 815691253 JXKIYYDJBRLSBW-GFCCVEGCSA-N 442.867 0.774 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 915188818 WMGNIJSVXUNNMT-UHFFFAOYSA-N 445.548 0.001 50 20 ICGD CN(C)N(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 915827508 AIUWPWOVJRPCJD-LBPRGKRZSA-N 443.323 0.651 50 20 ICGD O=C(NCc1ccc(O)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916259082 SZQHUWHSASXUSV-UHFFFAOYSA-N 434.474 0.557 50 20 ICGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C(C)(C)C)c1OC 917182439 GUXPDFHPUWPBFE-UHFFFAOYSA-N 429.495 0.532 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1779293858 FIDADRRBJVGXPI-QGZVFWFLSA-N 425.518 0.473 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cnc3Cl)C2)C1 1779446705 UVOXCBHHAXOHQU-HXUWFJFHSA-N 447.659 0.311 50 20 ICGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780773226 HDQRWZKIYRQFMY-XSUJLISDSA-N 437.310 0.638 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781102495 ONNJSFGAOWNDBU-FRQCXROJSA-N 445.402 0.483 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1782057467 ZBINGSBSXXGGDE-QHCPKHFHSA-N 433.273 0.304 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782211756 JPUHITKUUUHPFQ-NRFANRHFSA-N 428.493 0.379 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)n1 1783936909 AGWPXBWBKNKEDR-HSZRJFAPSA-N 445.564 0.834 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1 1783937445 RQPIHFOHZQNOKI-JOCHJYFZSA-N 434.512 0.961 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784935297 BHKNLPAMSDHBOP-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD CO[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)c1ccccc1 1786664939 KIESDPZYUDXLMY-OZIGNCPNSA-N 446.548 0.727 50 20 ICGD C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607863 PRAMYMAHGYIINU-SNRMKQJTSA-N 445.520 0.261 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)n3)C[C@@H]21 1788611237 PUQLVLXHRYPJQI-NUTKFTJISA-N 442.451 0.126 50 20 ICGD Cc1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789499745 RBBRFIPFOWMPQI-YSSFQJQWSA-N 437.500 0.901 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1790963849 MENZUYAOIGAILX-QTVXIADOSA-N 428.331 0.992 50 20 ICGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793115768 XEQQHUMDMXYTNH-AICCOOGYSA-N 433.933 0.500 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1793447178 AKDHVPSZNUTETM-DGADGQDISA-N 447.960 0.869 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793848622 KQWBCDOBCOXQMN-FQUUOJAGSA-N 426.311 0.971 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1ON=C(c2ccccc2)O1)c1ccc(B(O)O)cc1 1798326219 VAWKMMKLLINJLN-YWNPBTLJSA-N 449.272 0.353 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1=C2c3ccccc3C(=O)N2CC1 1798448167 PKPRMSKFVSNRRX-GGNLRSJOSA-N 445.903 0.447 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2)[C@@H](F)Br 1799347341 NGCLLZXNHUPEHR-RBLKWDMZSA-N 442.245 0.329 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)CCOC1 1800141475 QLQWGGLPIXORGH-MTCCJSQRSA-N 445.944 0.908 50 20 ICGD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1F 1800332313 CJZISFXLVQBZDJ-INHOUBOVSA-N 432.427 0.550 50 20 ICGD CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1800802606 XNKLQVNECDIKGM-XSCDPQDWSA-N 428.338 0.786 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 1800968290 XVCFPSWOVQCQTC-IAFLNBNSSA-N 430.929 0.809 50 20 ICGD Cc1ccn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cnc2c1 1801012587 BBACUMGHLAGDGE-VPTLXERWSA-N 442.520 0.219 50 20 ICGD NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)cc1 1801657056 OFBGLUMNQLXJPI-XJFOESAGSA-N 428.258 0.679 50 20 ICGD O=C(NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1ccco1 1803139131 UCEOIBLOGYWSBM-IIDMSEBBSA-N 434.880 0.710 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)COC1 1812489580 ZNPLBTPLFRNCGD-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncnc2)[C@H]1c1cccnc1 1813070134 GHRYEPBWEMQDFH-UZLBHIALSA-N 425.493 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1CCCS1 1813612298 TWSXJZSHVAQKCP-SXLOBPIMSA-N 439.346 0.977 50 20 ICGD O=C(CC[C@H]1CCOC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347529 BYHBAWVUPKHUQK-XJKSGUPXSA-N 443.334 0.865 50 20 ICGD Cc1nn(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815410082 HIUKOVDMSLYUMT-GOSISDBHSA-N 436.281 0.751 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nc2)[nH]n1)c1ccc(B(O)O)cc1 1817472554 WTLOWEHEMWJUNB-KRWDZBQOSA-N 435.249 0.810 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCO2)n[nH]1 1817657916 CPADFNBCUDZSIN-HZPDHXFCSA-N 427.465 0.893 50 20 ICGD O=C(CC1(O)CCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1823037488 KFQDREXBMMIOLK-QGZVFWFLSA-N 426.282 0.701 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@](C)(O)CC(=O)O)CC2 1826008910 KALGZOFQLDTADQ-GPHJXTMHSA-N 433.914 0.925 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)C1=COCCC1 1826174918 DMVFZIUONKGQPK-HNNXBMFYSA-N 427.291 0.743 50 20 ICGD O=C(COc1cc(Cl)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732504 ZFQATQCXKUUHMU-KBXCAEBGSA-N 448.303 0.170 50 20 ICGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c1=O 1831888187 XKEFSGHNFKVQEZ-RTBURBONSA-N 446.331 0.692 50 20 ICGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)on1 1834207821 MVHOIPKTMZSYIO-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835797802 DOHFHBLMBWDYPX-BDJLRTHQSA-N 447.355 0.969 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3F)CCO2)C1 1836239161 AAWBNBXZONTCMD-LIRRHRJNSA-N 445.875 0.553 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)CC1 1837010784 ZTLUITURYFXRRU-AEFFLSMTSA-N 433.484 0.655 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837482993 HUXSMWALUPJJLJ-VCBZYWHSSA-N 425.917 0.751 50 20 ICGD O=C(Cn1ccnn1)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1837982107 XYMICQJNOXBGLT-HNNXBMFYSA-N 432.294 0.967 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cnn1C 1839197752 HUNLOXYZSIWZFK-BBRMVZONSA-N 433.278 0.489 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839519223 BYAJVMIJBBLIBV-KBXCAEBGSA-N 427.910 0.899 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839963908 AAFINKHZDOLYFE-YOEHRIQHSA-N 429.315 0.513 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839967406 LJIQNQWZUGKLPB-KCTHJMFYSA-N 431.327 0.509 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030060 ZKCODPYIJNZSNB-SYCBYCMTSA-N 444.326 0.085 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1840150954 ULZSKUQQGYUFPT-YLJYHZDGSA-N 425.913 0.643 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1840185954 XIGBPLDQDWFNFH-NRFANRHFSA-N 436.484 0.269 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CC3(CCC3)C1)CCO2 1840602756 OTUMAPJQKYXIQL-QHCPKHFHSA-N 442.321 0.017 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1844378082 CAGOJHMOXSMRIM-UHFFFAOYSA-N 431.631 0.713 50 20 ICGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1846249226 OQOOFYJOCJHVRK-CQSZACIVSA-N 425.295 0.950 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1846410187 FEYUINMJIXCBRN-DJJJIMSYSA-N 431.917 0.161 50 20 ICGD O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931218 GDZDFLZRDKCHQO-SECBINFHSA-N 438.384 0.998 50 20 ICGD COc1cc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1OC(C)C 10403867 NPHHNFIZVJBXDV-UHFFFAOYSA-N 426.429 0.947 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nn1-c1ccccc1 17193423 CAKZEDYRYLFUBT-UHFFFAOYSA-N 430.424 0.863 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2C(=O)CCc3ccccc32)cc1 732050718 HOGUVLXFMFILIJ-UHFFFAOYSA-N 444.513 0.742 50 20 ICGD Cn1c(NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)nc2ccccc2c1=O 733260568 HUVOSHKCWVZVIS-UHFFFAOYSA-N 441.513 0.921 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)c2ccccc2c1=O 733663086 SSZWSRAPKJBDAV-CYBMUJFWSA-N 437.522 0.964 50 20 ICGD CN(CC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)S(C)(=O)=O 747778955 OVPDQCVBMOPHLN-LJQANCHMSA-N 430.530 0.652 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1C 749017293 KKCPGVQKZRYQQK-UHFFFAOYSA-N 425.511 0.244 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 755226209 JUEVWALHERAEKD-NSHDSACASA-N 428.515 0.837 50 20 ICGD CSCc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756331528 XKHGFSJNPCRACW-UHFFFAOYSA-N 431.478 0.150 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 756462076 YJKQZOVKGGLGEK-JTQLQIEISA-N 426.524 0.954 50 20 ICGD CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758051196 FUPNHRSYCDQMQR-BXUZGUMPSA-N 432.930 0.570 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3ccnn3)cc2)cc1OC 760703265 NWNOCGKCONCFBP-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1ccc(C#N)cc1 761282695 OHWDWLZPXVNKPG-UHFFFAOYSA-N 438.487 0.952 50 20 ICGD O=Cc1ccc(OCCn2cc(C(=O)NNC(=O)C(=O)N3CCCC3)nn2)c(Cl)c1 763327290 NSMZRRXHMOYPML-UHFFFAOYSA-N 434.840 0.206 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 763570861 JJYAFGQMDMJROC-OAHLLOKOSA-N 445.432 0.107 50 20 ICGD Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227677 PVMARIHCJLYSEX-CYBMUJFWSA-N 434.474 0.811 50 20 ICGD O=C(CCCc1cccs1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764343023 MBNQKZCNBMQUHQ-UHFFFAOYSA-N 434.522 0.386 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 764559029 NTFGBQIHPJIHBS-ZDUSSCGKSA-N 441.510 0.377 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C(=O)NCc1ccc(F)cc1 766645954 DWFJDLJFQUZCHP-UHFFFAOYSA-N 441.463 0.047 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4ccsc34)c2)CCN1 766678061 FRLCBSGAOCSIHL-UHFFFAOYSA-N 432.487 0.569 50 20 ICGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 767031494 HVRUEZKFLXSRIX-UHFFFAOYSA-N 441.487 0.121 50 20 ICGD N#Cc1cc(Cl)nc(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 769072547 FSYYHLUKAXCVTD-UHFFFAOYSA-N 436.881 0.848 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771265650 IROPUTGEIITMNR-NRFANRHFSA-N 447.492 0.223 50 20 ICGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 771606285 HCUWCRSQLMYPKA-UHFFFAOYSA-N 429.813 0.803 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cc1 773723677 DKFKSGIMHWNSSL-LLVKDONJSA-N 430.421 0.248 50 20 ICGD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(S(=O)(=O)CBr)CC1 777837635 PNYBJSQKZDHKMR-UHFFFAOYSA-N 432.256 0.911 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc3c(c2)OCO3)cc1 777913899 SZHVLQLDRMFTIB-UHFFFAOYSA-N 441.487 0.354 50 20 ICGD COC(=O)c1cccc(NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 780836407 XSEXWNNCQQIZHB-UHFFFAOYSA-N 436.494 0.686 50 20 ICGD COc1ccc(NNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)nc1 782144976 JNSDGLDHXFSWNZ-UHFFFAOYSA-N 428.493 0.798 50 20 ICGD CC(C)(C)OC(=O)N[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)[C@H]2CCCO[C@H]2C1(C)C 783592434 DIPBOHGOMXYWFQ-QTCYRWPVSA-N 438.525 0.855 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(F)c1I 783999575 GWFLUXSZVISOAW-UHFFFAOYSA-N 448.192 0.139 50 20 ICGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ccc(C(F)(F)F)nn1)CC2 784886321 OGSOFKBBZDXADH-UHFFFAOYSA-N 444.395 0.436 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(OCC)c(OC)c1 786414854 STEFKKNYPJLNBQ-UHFFFAOYSA-N 433.421 0.404 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 786674525 VNNLTYJUDDNOHW-RVDMUPIBSA-N 448.457 0.831 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 788223682 MAMMCZXYOGIEMI-LBPRGKRZSA-N 430.533 0.692 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc(O)c1O 790463741 XWYVPBHIDAENHO-UHFFFAOYSA-N 449.485 0.513 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccnn1-c1ccc(Br)cn1 790583101 JEUMDWMYYAGJAZ-MRVPVSSYSA-N 446.287 0.120 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(F)c3[N+](=O)[O-])cc2)CCN1 790585008 IJUIIBIHOPLOMG-UHFFFAOYSA-N 437.409 0.611 50 20 ICGD Cc1cccnc1NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 791218635 CGCBNUQNUYKWMD-OAHLLOKOSA-N 426.520 0.615 50 20 ICGD NC(=O)c1ccccc1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 792237993 PDMRIGSDZTVGTD-UHFFFAOYSA-N 437.500 0.324 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1COCCN1C1CCCC1 792776397 HKWOMFPTRLBPIK-NRFANRHFSA-N 429.565 0.990 50 20 ICGD C[C@@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 794072213 RIOHRSOHETUDIR-ZDUSSCGKSA-N 431.449 0.313 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(NC(=O)C3CC3)c2)cc1 794766480 JZJSJDZSPIXIIA-UHFFFAOYSA-N 445.501 0.820 50 20 ICGD N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 795821723 BLUJVYKMMHFVQX-VQIMIIECSA-N 434.408 0.771 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797628081 SJWFTPSKVJKKDQ-UHFFFAOYSA-N 449.489 0.815 50 20 ICGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNc1nc(O)c2cnn(C)c2n1 802526801 KGROXOLJYIRKPV-LLVKDONJSA-N 434.482 0.452 50 20 ICGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)ccc1F 806976637 JJBLOOBRWCOULH-UHFFFAOYSA-N 428.467 0.466 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC 807369136 QUTSFVCJPRFLCE-UHFFFAOYSA-N 433.465 0.945 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 807371948 VLPLIGJFMWLULE-MCIONIFRSA-N 429.539 0.830 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)cc1 813033371 QETWGNWQJGLKOZ-UHFFFAOYSA-N 433.446 0.464 50 20 ICGD O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779005 NOHCKNILBGOVOM-QGZVFWFLSA-N 431.493 0.766 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2ccc(C)cc2)cc1OC 825600508 LOYCNAMOAOVDIC-UHFFFAOYSA-N 436.490 0.550 50 20 ICGD CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1Cl 864231358 HHHLRAHBBSANLY-SECBINFHSA-N 425.099 0.698 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21 914717841 ZGNJDMXRASZEOH-CYBMUJFWSA-N 449.533 0.890 50 20 ICGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 916235085 YXIMOTQPGJEBMH-OKILXGFUSA-N 430.509 0.765 50 20 ICGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)c3ccc4ccccc4n3)cc2)CCN1 916391865 KCDQIQBINQMDHW-UHFFFAOYSA-N 446.467 0.951 50 20 ICGD O=C(CN1CCN(C(=O)Cc2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 917111713 KZJZSVGTYCEIDP-UHFFFAOYSA-N 425.445 0.743 50 20 ICGD CC1=C(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCO1 1777719388 HRIYCCGWOICETB-DENIHFKCSA-N 428.294 0.188 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778490949 CBZCYGFDIGKCEM-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1 1779029806 ZECJSLLILCBTCJ-QHCPKHFHSA-N 448.483 0.243 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1779202305 ZQNFIKBYEGGPEH-CKUKBARFSA-N 426.297 0.369 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779339465 JZVHJHUMSYXKOY-GSHUGGBRSA-N 438.569 0.446 50 20 ICGD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331550 NAQPGRXUNWECHS-SKDRFNHKSA-N 435.168 0.612 50 20 ICGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331724 VCWOPRNKMGCBHE-SUMWQHHRSA-N 444.257 0.987 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351375 KPHDJGCSRQLIFQ-LIRRHRJNSA-N 426.901 0.495 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cccc(=O)n1O 1785630161 GVQPCLZXQMSJPI-OBJOEFQTSA-N 428.283 0.464 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)c21 1789148964 FYOFMUCCVFWAPA-KSYCFECVSA-N 436.896 0.472 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1790571692 NGBOPRTWKPDBEH-MRHIQRDNSA-N 439.409 0.686 50 20 ICGD O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790901173 ULOSFGSACYMDQZ-RKDSJROLSA-N 440.349 0.786 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOc3ccccc3)C[C@@H]21 1791288704 NXJORIVXZMOEDB-IHPCNDPISA-N 446.548 0.808 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792870725 JCFHWWFAFBWEOO-YHQUGGNUSA-N 433.347 0.315 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792979149 XPGTVEMNJVBHPR-FQLMCAECSA-N 432.945 0.934 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2)[C@H](O)CCl 1792980020 BQMCRHWNFXSITQ-FCGDIQPGSA-N 432.908 0.734 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2)c1cccc(B(O)O)c1 1795739876 MMLWEUZADRDNFS-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740532 FGASLUFXNZOQMW-CEQLMSFQSA-N 433.273 0.064 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cn2cc(Cl)ccc2n1 1796849346 VCSVSRIHPYJOSM-YHYOWMERSA-N 427.288 0.791 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 1797195864 GUEVRVSKZNFQGP-VPTYIUOZSA-N 431.493 0.278 50 20 ICGD Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c2c1CCC2 1797578791 CJPCSIMSQCDTLY-BTTYYORXSA-N 437.504 0.473 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799116834 JAEAVJAIQFKDAA-HRHRNMPXSA-N 444.536 0.052 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1800976733 FUAAQRIXRDPLQA-YFSSQWDJSA-N 437.880 0.565 50 20 ICGD C[C@@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012687 GFGNIFQYAHWVBG-JWVYWZTKSA-N 431.537 0.223 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCCN2C)[C@@H]1c1cccnc1 1803178267 QIHXKATXCGCKFL-DXIQSLLYSA-N 444.580 0.945 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ccno2)[C@@H]1c1cccnc1 1805631954 VSNWMXRCYACTJA-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374608 LUODBPFRHNZDQP-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD O=C(Cc1ccccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807652172 AYLATVKHEAURMJ-AUSIDOKSSA-N 444.300 0.719 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)C1 1809967820 LUEQVGDOLDBMJG-NRFANRHFSA-N 436.317 0.945 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1 1813071196 PSUNCVLRJHZZAT-LAUBAEHRSA-N 427.509 0.357 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1 1813074470 SDWQPTZVCFZYKW-YVXJGENVSA-N 429.521 0.353 50 20 ICGD CC[C@H](C)[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814854985 YYQIUXGBBHOYMN-LYOVBCGYSA-N 445.549 0.741 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815238764 LHKWQYKBAKMRGR-HNNXBMFYSA-N 435.529 0.690 50 20 ICGD O=C(CCc1cnc[nH]1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336765 DQVVVJOHDAUXLO-AWEZNQCLSA-N 439.306 0.405 50 20 ICGD CC[S@](=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815356677 KWYMKPYMJYMLNV-KJEZJMDVSA-N 449.363 0.207 50 20 ICGD CC[S@](=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1819510784 QCQPHVHILGLGRN-KJEZJMDVSA-N 449.363 0.207 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccno1)CC2 1819795913 VMJBVGWEBWSPJV-SECBINFHSA-N 427.446 0.669 50 20 ICGD COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)nn1 1820042768 ONJMCDWNKHAOQL-HNNXBMFYSA-N 444.496 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)[nH]n1 1822413884 DRXASGKWBZFXHA-INIZCTEOSA-N 443.508 0.637 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](N)c2ccccn2)[nH]n1 1822414490 VEEPCXHDVCBGEB-OXJNMPFZSA-N 442.524 0.870 50 20 ICGD O=C(/C=C/c1cnc[nH]1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822658794 SWRFYTILIQGYDN-GFOMBABLSA-N 434.265 0.832 50 20 ICGD CN1CCN(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1824183984 GBQAVRGGOYOTNW-MOPGFXCFSA-N 441.016 0.986 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825646494 CSETYAZBQRYKKT-YUMQZZPRSA-N 447.311 0.382 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1830537351 DOXQACYKBHZKJH-LPHOPBHVSA-N 446.386 0.960 50 20 ICGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CBr)CCO3)cnn1C 1830538249 ZHEIOFLRWVQCGB-SCLBCKFNSA-N 443.342 0.830 50 20 ICGD Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830725770 LRYJDRMGELNSAH-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823272 LXRKQTCRPSWZMX-RDTXWAMCSA-N 433.343 0.801 50 20 ICGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834823499 XOIAHVKMKOWMEJ-GOSISDBHSA-N 443.342 0.838 50 20 ICGD Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412761 SXUIIYDNBCCKQC-CQSZACIVSA-N 431.310 0.989 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)nn1 1837715167 APAHMPIKCFLJPT-IBGZPJMESA-N 438.557 0.407 50 20 ICGD O=C(CC(F)(F)F)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837788496 ZHYLCNSYIARDHT-UHFFFAOYSA-N 442.243 0.931 50 20 ICGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838938921 RIBAEBXBHOWCSD-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c1=O 1839150092 BSWCLKIBVBVFNG-OALUTQOASA-N 446.331 0.692 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@](C)(Cl)CCl)CCO3)nn1C 1839150463 NAUXALGWSFGDKB-RTBURBONSA-N 447.363 0.964 50 20 ICGD CN1CCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc2C1 1839621861 WNTYHZRKBQKZPM-APWZRJJASA-N 443.907 0.323 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cn1 1840032261 SWVOOJNHLAJCFT-PXAZEXFGSA-N 443.298 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840151309 YDVZZWYCAPNEGB-UGSOOPFHSA-N 433.839 0.684 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(C)o1 1840183480 GYMUREMAOWESOR-NRFANRHFSA-N 436.509 0.339 50 20 ICGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1 1840401746 BUDCBWSRYHPTPV-MAUKXSAKSA-N 443.342 0.994 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840454737 QPJPLOFOOBPHOS-OXFYSEKESA-N 441.912 0.559 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1840991908 JKMQCKCCYYNALK-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841287152 WRIFNHMDNYIGGQ-JTQLQIEISA-N 445.339 0.686 50 20 ICGD O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348668 YGIRQNIRFKBEPC-INIZCTEOSA-N 433.892 0.405 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 14316121 WIJYJICIQKQOLH-UHFFFAOYSA-N 429.477 0.382 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 14894376 SNLZGUROISMUMQ-HNNXBMFYSA-N 437.497 0.887 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 726076836 GPBGOGUSSSILNV-UHFFFAOYSA-N 431.536 0.496 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2csc(-c3cnccn3)n2)cc1 728264357 GPXYJQPCQREACL-UHFFFAOYSA-N 446.514 0.990 50 20 ICGD O=C(COC(=O)C[C@H]1C(=O)Nc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 728338625 LHGNJOOOZWSBMN-CXAGYDPISA-N 425.397 0.643 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(Cc2ccccc2)c1)C1CCN(c2ncccn2)CC1 728853843 DBWPCOSXUPIJFM-UHFFFAOYSA-N 441.517 0.948 50 20 ICGD CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)COc2ccccc2O)CC1 730907714 NFBSKSOLFZWYGX-UHFFFAOYSA-N 441.488 0.970 50 20 ICGD COc1cccc(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 735117560 XGCIHTWDSUPQRB-UHFFFAOYSA-N 435.506 0.548 50 20 ICGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(C)nc(C)n3)cc2)CC1 736717270 YSNJWSQJVDEUKQ-UHFFFAOYSA-N 432.506 0.703 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 737636616 SWEWFAXIEGRNBQ-UHFFFAOYSA-N 433.486 0.685 50 20 ICGD CC(C)Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(C(C)C)nc21 744645121 OWKGHAYHQAHPRT-AWEZNQCLSA-N 433.465 0.453 50 20 ICGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 746812911 JPUPYPHTNOIPIP-HXUWFJFHSA-N 436.534 0.881 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)Cc2cccc(F)c2)c2ccccc2c1=O 749014302 HGQHRWULHIFAKB-UHFFFAOYSA-N 440.435 0.376 50 20 ICGD CO[C@@H](C)c1noc(CN2CCCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 750061641 WFHOWPNBUBOJLN-HNNXBMFYSA-N 441.492 0.618 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 751209922 YPBXILDPJSLGRX-UHFFFAOYSA-N 442.544 0.785 50 20 ICGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)COc3ccc(OC)cc3)C2)nc1 753278856 IRXOEABIIYOWNC-UHFFFAOYSA-N 443.460 0.865 50 20 ICGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(S(C)(=O)=O)c1 757673972 MMNLHBGDABMXPR-INIZCTEOSA-N 449.441 0.869 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cc(Br)c[nH]2)c1=O 757780754 LSEUNXJRTAAFKQ-UHFFFAOYSA-N 446.283 0.450 50 20 ICGD Cn1cccc1C(=O)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758016962 PJPRGNKDNZDRHM-UHFFFAOYSA-N 427.421 0.372 50 20 ICGD O=C(NNC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)Nc1ccccn1 758831905 DUFGWDOARUYUPW-UHFFFAOYSA-N 431.352 0.743 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccnc(O)c1 760300410 HHAGFZFKMUVVNQ-UHFFFAOYSA-N 434.474 0.202 50 20 ICGD Cn1nc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O 763785003 ABMWUVXWBUXPTD-UHFFFAOYSA-N 445.338 0.655 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1-n1cnnn1 763973645 DCVDXAHVTRCNAY-UHFFFAOYSA-N 431.796 0.430 50 20 ICGD O=C(NNC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 763976722 DZYCGVFIGBVQDA-UHFFFAOYSA-N 446.847 0.918 50 20 ICGD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)C[C@H](C)O1 763993282 NFJDQPDGPKAQIP-KBPBESRZSA-N 427.461 0.674 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 764001060 ZXBCFNWADBYWSN-JTQLQIEISA-N 425.854 0.046 50 20 ICGD CCc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226601 IXBDOZUWTOUGNT-MRVPVSSYSA-N 435.300 0.035 50 20 ICGD O=C1C[C@@H](c2cccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)c2)CN1 764401719 QZHNCZRADRYPRG-CYBMUJFWSA-N 428.470 0.874 50 20 ICGD CN(C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)C1CCCCC1 764431621 DSXGTSRKWSFXFW-KRWDZBQOSA-N 432.477 0.593 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCCc3ccccc3)CC2)cn1C 765749729 RWSOVILZALFUJQ-UHFFFAOYSA-N 448.549 0.799 50 20 ICGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(=O)n(-c2ccccc2F)n1 765775489 BSHJZKDUBKKTDV-UHFFFAOYSA-N 437.435 0.839 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)NC(=O)CO2 766641634 IIQSTQWYONMEOQ-UHFFFAOYSA-N 437.456 0.237 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1ccc2nnnn2c1 766664402 QHHKIGWHFYVIAM-UHFFFAOYSA-N 428.884 0.357 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 767268291 IDMYBRCCYPTNSC-OYHNWAKOSA-N 444.488 0.729 50 20 ICGD COCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 767851648 RREBDENBMNMOMK-UHFFFAOYSA-N 427.342 0.822 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)nc21 770991556 SUPYBIFEQCUGOJ-UHFFFAOYSA-N 425.430 0.874 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)co1 772188760 WECBWICXEIRTCC-UHFFFAOYSA-N 428.854 0.261 50 20 ICGD CCn1cc(-c2n[nH]cc2C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 778499767 KOVFRTZRRQDMRZ-INIZCTEOSA-N 440.416 0.437 50 20 ICGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccc([N+](=O)[O-])cc2Br)CC1 779145256 TZNAISJDDDNTRG-UHFFFAOYSA-N 436.288 0.378 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)c1C 783264825 RYRKDTNESFMJBJ-UHFFFAOYSA-N 449.489 0.945 50 20 ICGD COCc1c(Br)cccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999932 NNASJCJUWQKERE-UHFFFAOYSA-N 427.255 0.304 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 784338846 GWAUCDBJKCOKQZ-DLBZAZTESA-N 435.502 0.292 50 20 ICGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C1CCN(c2ncccn2)CC1 784395026 RPGZSZLZBURRAI-ZWKOTPCHSA-N 442.520 0.282 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O)cc1 792454125 HREALCWQASXATF-MLGOLLRUSA-N 436.446 0.392 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1C 794074526 FQXSODTWZUJHBX-UHFFFAOYSA-N 434.474 0.638 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794592026 IGZWAIIHRQKLFR-UHFFFAOYSA-N 436.512 0.100 50 20 ICGD O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 795526729 CYUGBXMMOXTRSZ-LBPRGKRZSA-N 437.927 0.411 50 20 ICGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 798117480 ABYNKAJANVCWEI-QAPCUYQASA-N 438.554 0.625 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CC1 801108867 UHPAFZDIHBNNQR-UHFFFAOYSA-N 434.493 0.419 50 20 ICGD CCCc1nnc(SCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)n1N 813434065 ZUNYSDIAIUBBTJ-UHFFFAOYSA-N 425.540 0.621 50 20 ICGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 815589914 GVBYTLZSJXVWCV-GOSISDBHSA-N 427.479 0.146 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2)cc1 816827706 BSDQKTYWTYWIST-IAGOWNOFSA-N 446.485 0.769 50 20 ICGD COCCN1C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1=O 914461791 VDVDICQHTDCAPQ-VXGBXAGGSA-N 428.283 0.859 50 20 ICGD CCN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1=O 914748815 HRIUMRIDBNJBOJ-QGZVFWFLSA-N 444.513 0.795 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915165000 VZDPHYRKYLQOFK-BOPFTXTBSA-N 426.458 0.844 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c2ccccc2c1=O 915895317 ZTKKOLVJRHEBLJ-UHFFFAOYSA-N 430.371 0.794 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 919822393 RNEFFRNWMFQFRG-UHFFFAOYSA-N 432.502 0.881 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1O 919958662 VYLBHOBZHPMFLA-UHFFFAOYSA-N 441.487 0.465 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C2=S=C(CCNS(C)(=O)=O)C=C2)o1 920272358 PHOXEARNKAAGGJ-UHFFFAOYSA-N 442.563 0.470 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)COC(C)C)c(=O)n2Cc1ccccc1 920737078 KOHLSMKLTDYXBI-UHFFFAOYSA-N 442.476 0.000 50 20 ICGD O=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 928980821 KPHDNXZXVVLJFU-IBGZPJMESA-N 436.424 0.945 50 20 ICGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1318556885 FOMIKPOLVQRCBE-UHFFFAOYSA-N 446.570 0.843 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)O1 1778803560 BYAIKIQQVIPWQR-CIVUBGFFSA-N 430.310 0.061 50 20 ICGD CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780777444 SGXAITWKEDJOSM-OSAQELSMSA-N 443.335 0.626 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1780831607 POBDOYXJEOUGRR-OAQYLSRUSA-N 445.426 0.721 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781607264 BFLBNZLCKLDWMW-NRFANRHFSA-N 443.435 0.287 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784368832 BPHPQUZABBZAPI-MBOZVWFJSA-N 439.944 0.694 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1784622734 SEKBUEUZTMGZGQ-AJNGGQMLSA-N 426.901 0.948 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccnc(Cl)c1 1786038576 OGBGDWTWTZCDFV-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1ccccn1 1786868204 BIWRCCBCUFLMCD-GZIXRCOHSA-N 425.327 0.846 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC1(c2ccc(NC(=O)Cn3cncn3)cc2)CCC1 1788257906 PCMZPPIVTHVVRG-UHFFFAOYSA-N 434.460 0.725 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789116161 WUFOTXMVQSTBBY-PYJNHQTQSA-N 427.299 0.949 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CBr 1792987291 MSMPKZCVRMTFGQ-VJTDZRGJSA-N 438.388 0.983 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC1CCCC1 1793334022 XMMQTOWOQAFKAQ-YVWYUNDQSA-N 426.583 0.625 50 20 ICGD CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793625164 UYZIGEHREIQSKN-CRWXNKLISA-N 433.933 0.479 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(OC)nc1 1793895071 RISAICFXKKIFFG-YYAJDYIMSA-N 425.913 0.866 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(Cl)s1)C2)c1ccc(B(O)O)cc1 1795732785 JPAAFAIPAGZFHH-HBCWATKFSA-N 448.737 0.527 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CCc2ccccc2[C@@H]1O 1796189672 OAWHTJAKFJDMGK-QWCYLASJSA-N 448.328 0.914 50 20 ICGD C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446217 PCQRAMJUNPXIKX-ODRBZYGGSA-N 427.505 0.904 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797558411 NWBPXBRBSJUZSV-ZIEJDFEHSA-N 436.310 0.964 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798099665 JWALUHDMPUCNBA-YDXZUZSKSA-N 431.276 0.614 50 20 ICGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)nn1C 1799491228 YHKKTFSKIHGKHI-NGYDUSEUSA-N 441.492 0.815 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1800638256 VTZOYKIHDWAEMZ-VLEAKVRGSA-N 432.344 0.957 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1800639046 GKTRSTGGFPLFHK-OXIQGZBJSA-N 427.299 0.989 50 20 ICGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)n1 1802337547 NXGUFYDHRHTWDP-BJWYYQGGSA-N 446.552 0.298 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363723 FKPVHMQOQQSKHW-ZJOUEHCJSA-N 437.305 0.508 50 20 ICGD C[C@H](Br)C(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809662298 HCBMBXOETDNVCE-LBPRGKRZSA-N 440.275 0.726 50 20 ICGD Nc1ncc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)s1 1809967120 WNCGLYGFZAXSQJ-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(F)c[nH]1 1812913015 GUEBRBATYZOECP-OXJNMPFZSA-N 436.252 0.862 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813033133 IQGJKNCOTZETBB-DOXZYTNZSA-N 434.880 0.266 50 20 ICGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnc1 1815335776 QTJKHTVZSWAHOW-IUODEOHRSA-N 439.306 0.506 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819404496 NUMWNQHKILFCPV-ZFWWWQNUSA-N 449.899 0.968 50 20 ICGD CN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822589948 RDNFMCQMTPUYIV-DOTOQJQBSA-N 442.350 0.533 50 20 ICGD Cc1cn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)c(=O)nc1O 1824187417 HZYNUZAGNPEDJT-HOTGVXAUSA-N 440.928 0.477 50 20 ICGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCBr)CC2)C(=O)N1 1826353003 JZYOSHIBLDJSBL-CQSZACIVSA-N 443.342 0.943 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829093077 DQODKRHICBCLKD-SJLPKXTDSA-N 435.569 0.670 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1831644211 RKVBKVYINJSNSV-QRWLVFNGSA-N 440.928 0.864 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)CC1)[C@@H](O)CCl 1833312783 DLJILCSOLUMGPK-LIRRHRJNSA-N 437.972 0.686 50 20 ICGD CC[C@H](C)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798164 YMMQXXJKWYLWEG-KRWDZBQOSA-N 429.370 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccsc3)CC2)CC1)c1cccc(B(O)O)c1 1834800909 AIFCRUCPMPZKKM-UHFFFAOYSA-N 441.362 0.927 50 20 ICGD Cn1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c1Cl 1834823484 WVVYBXMDJZRTJT-MRXNPFEDSA-N 449.733 0.929 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3F)CC2)CC1 1834942648 WAWMMOZWWGXHHL-UHFFFAOYSA-N 448.543 0.779 50 20 ICGD C[C@@H]1CCC[C@@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835506006 BJXGXZFRTRNYED-VGSWGCGISA-N 441.381 0.988 50 20 ICGD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835652668 QUJVVQDPZZSGFI-SMDDNHRTSA-N 441.323 0.150 50 20 ICGD Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939289 KTKSIJASPAFPCG-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1836397398 ZMAYXWKNNCBXBH-OAHLLOKOSA-N 425.965 0.909 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836873675 DRWFUFIPNJQIES-QGZVFWFLSA-N 428.276 0.603 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715318 JESRIFXHKBZUAM-HXUWFJFHSA-N 437.569 0.307 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839151947 JATNRUAPKIYBIP-XWIAVFTESA-N 438.352 0.546 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839963464 LEYYIEIXLAQKOZ-KDOFPFPSSA-N 443.294 0.883 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153651 WUIXADOMYRZGIG-VCBZYWHSSA-N 433.933 0.001 50 20 ICGD COc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccc(F)c1F 1843012049 YOHJICCHITWWFN-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300365 AQXDNUYCDLLVSR-CMALXJQLSA-N 444.492 0.853 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 725871025 FEPUVAUSMLEUSI-UHFFFAOYSA-N 433.440 0.640 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)CCCN2C(=O)CN(C)C2=O)c1 728528478 BJZFVZWHADHACV-UHFFFAOYSA-N 427.255 0.893 50 20 ICGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 728854008 JRORJZKHKLOBHX-UHFFFAOYSA-N 435.462 0.166 50 20 ICGD C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274433 JYQZBOKOYOAQQG-JGVFFNPUSA-N 425.294 0.197 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 729692678 NRFOKAOGWIVIBX-UHFFFAOYSA-N 432.418 0.742 50 20 ICGD CC(C)NC(=O)C(=O)NNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 732052997 VVHBWYABLNKPHK-UHFFFAOYSA-N 428.486 0.479 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(S(=O)(=O)C(F)F)cc1 735227569 VFAVYYOPQZHECJ-UHFFFAOYSA-N 433.418 0.912 50 20 ICGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 742489189 PJVACFKTXVUMMK-AAXDQBDMSA-N 425.239 0.091 50 20 ICGD Cc1nsc(N2CCCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 743512408 VHVMLERMWJZNIJ-UHFFFAOYSA-N 428.482 0.389 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 744542278 JVIYZDXSABCOFI-UHFFFAOYSA-N 442.453 0.716 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 744713578 KUHYPISQWXEJDT-UHFFFAOYSA-N 435.371 0.861 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)N2CCOCC2)cc1 745992924 NJYBFHYJLNBPIB-UHFFFAOYSA-N 426.495 0.363 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)o1 746397641 WKVSEGCPLNMXCF-INIZCTEOSA-N 435.525 0.063 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 748837361 DPGCFFGSQXUVLH-AWEZNQCLSA-N 446.489 0.008 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 750654496 BIIPPRRBVAWNIV-CQSZACIVSA-N 437.522 0.424 50 20 ICGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(OC)c(Br)c1 758228120 XNADFIHQNMUJEP-UHFFFAOYSA-N 438.300 0.175 50 20 ICGD C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 762326031 GRGGSNLXAJVJKJ-CHWSQXEVSA-N 427.502 0.700 50 20 ICGD CSc1nc2nc(C)c(CC(=O)NNc3nccc(N4CCOCC4)n3)c(C)n2n1 762851221 BZMXTPVTDASVOD-UHFFFAOYSA-N 429.510 0.775 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 763270752 UOHZHRKTVVFUHT-VIFPVBQESA-N 447.249 0.819 50 20 ICGD COc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)cc(OC)c1OC 763540406 URCLJWKAJHFFJO-UHFFFAOYSA-N 440.416 0.693 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 763570310 DLOGVWSAYKMECB-INIZCTEOSA-N 426.364 0.332 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1 763662146 UYIRFEFYIIYHIE-UHFFFAOYSA-N 435.458 0.405 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679992 AYRYNHOOLDOWHA-UHFFFAOYSA-N 439.428 0.921 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 763754524 UGSHIPRYXRKXOC-UHFFFAOYSA-N 447.517 0.841 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763873511 VDVQSRDJQIWINC-CYBMUJFWSA-N 431.424 0.611 50 20 ICGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)c1cc(Br)cn1C 764005096 UEVUKPQPTXEZMI-UHFFFAOYSA-N 437.250 0.903 50 20 ICGD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CCc1ccco1 764177479 OVCZNRBEBCPPMT-UHFFFAOYSA-N 428.445 0.779 50 20 ICGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC1CCCC1 764188113 MEWHFAWXXVQTSH-UHFFFAOYSA-N 439.538 0.669 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 764397127 FYWJZUYUEYAAKH-CQSZACIVSA-N 443.460 0.780 50 20 ICGD CN(C(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1)C1CCCCC1 764431623 DSXGTSRKWSFXFW-QGZVFWFLSA-N 432.477 0.593 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1cccs1 764457681 XKZUQKXCIAJKNM-UHFFFAOYSA-N 430.533 0.855 50 20 ICGD CC(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 766638343 FYKZCHLPRFTDKP-UHFFFAOYSA-N 447.355 0.559 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644263 TYWBANZYTTUCIP-GOSISDBHSA-N 443.548 0.629 50 20 ICGD CNS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cc1 767272531 ONBAYHILTUQZHO-UHFFFAOYSA-N 447.513 0.769 50 20 ICGD Cc1[nH]nc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1Br 768622441 LSHAKQQFZXPZIZ-LLVKDONJSA-N 439.222 0.625 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 768637485 BFJJCDXFKVPNHP-CQSZACIVSA-N 449.464 0.801 50 20 ICGD C[C@H](CSCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 773070806 SNWHPBUZVGUKFC-CYBMUJFWSA-N 444.517 0.151 50 20 ICGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNc2nccc(OC)n2)n1 773731654 TUUCIQNQMNPRRA-UHFFFAOYSA-N 425.405 0.929 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3cccc(C(F)(F)F)c3)cnc2n(C)c1=O 773750966 LEYLNSLZNCMFSJ-UHFFFAOYSA-N 436.350 0.733 50 20 ICGD CC(C)c1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc(O)n1 775605502 FKHOWWVMCDYVHP-UHFFFAOYSA-N 434.522 0.999 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nnn1-c1cccc2c1CCN(C)C2 778438152 QUCAUADVJGEPKX-UHFFFAOYSA-N 443.508 0.849 50 20 ICGD COc1cc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)ccc1S(=O)(=O)N1CCCC1 783323821 AEIWPBHUPHCTCZ-UHFFFAOYSA-N 448.505 0.968 50 20 ICGD CC(C)N1CCN(c2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2)CC1 783425858 FFJGDSJFCWOGQX-FQEVSTJZSA-N 437.566 0.354 50 20 ICGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3cc(C)ncn3)cc2)CC1 783945034 FOBPXNVOVMWCFF-UHFFFAOYSA-N 427.465 0.162 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 783998871 HVEBGTRDBRZLDL-UHFFFAOYSA-N 425.445 0.411 50 20 ICGD O=C(NNC(=O)N1CCCN(c2ncccc2F)CC1)c1ccc(-n2cnnn2)cc1 784061224 NXEKAFNWXXBCSV-UHFFFAOYSA-N 425.428 0.763 50 20 ICGD CC(C)(C)c1nnc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1 797369429 WMONSHMHARUIMZ-UHFFFAOYSA-N 434.478 0.848 50 20 ICGD CCn1nc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCCC2)c2ccccc2c1=O 807537503 LQQCQXQCALWOFR-UHFFFAOYSA-N 435.506 0.718 50 20 ICGD Cc1sc2nc(CC(=O)NN=Cc3c(N(C)C)n(C)c(=O)n(C)c3=O)nc(O)c2c1C 807953592 ZZARSDUXJSUIGB-UHFFFAOYSA-N 445.505 0.170 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1C 815566463 UUTLVUYKWLNOIX-UHFFFAOYSA-N 439.428 0.659 50 20 ICGD CC(=O)N1CCc2c(NC(=O)C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cccc21 815752322 NJPQEMGBTSDFLQ-UHFFFAOYSA-N 445.501 0.928 50 20 ICGD O=C(NNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 821134992 GUWOYXHZUPCFBG-NSHDSACASA-N 429.451 0.757 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)N3CC[C@H](B(O)O)C3)cc(-c3ccc4c(c3)OCO4)nc21 864230844 FSDVWMRKILMEKJ-NSHDSACASA-N 438.205 0.119 50 20 ICGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNC(=O)C2CC2)c1 916034346 DRNPEGYZCHVJGK-UHFFFAOYSA-N 437.259 0.713 50 20 ICGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)COc2ccccc2C#N)cc1 916279074 NUJNCGPNGHZEHL-UHFFFAOYSA-N 431.474 0.554 50 20 ICGD O=C(COC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)NNC(=O)[C@H]1COc2ccccc2O1 916526113 YXHLGTOGHIJNIO-SUMWQHHRSA-N 431.445 0.308 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 917235251 MSXREFMCJXGVMM-SFHVURJKSA-N 428.397 0.992 50 20 ICGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 919958454 GBODUTVEZQNTCJ-UHFFFAOYSA-N 442.471 0.349 50 20 ICGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccc1F 1779028561 MUIJIHSAADEQGT-OAQYLSRUSA-N 442.451 0.285 50 20 ICGD C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028942 LFJSWXRTDFOTDU-NRFANRHFSA-N 431.493 0.111 50 20 ICGD NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)cc1 1781332948 ADMQXCHSRCLIET-SUMWQHHRSA-N 428.258 0.920 50 20 ICGD Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c(F)c1 1781492476 CCWKFLJSVTZEHM-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782098595 KWMCDNJZZJBBBD-YJBOKZPZSA-N 427.841 0.652 50 20 ICGD CCc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n[nH]1 1782212162 YRMKXUJZIYOVBL-DYESRHJHSA-N 434.541 0.473 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1782864396 LWDGQCLGQDQSRM-CDXDBMBRSA-N 432.431 0.185 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1782866884 FHGBZHOGIPCLNF-SZYHELCZSA-N 446.454 0.424 50 20 ICGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1783527950 DHPMLAIAOHGVHF-JQCNWOQKSA-N 442.354 0.856 50 20 ICGD Cc1ccc(C)c(OCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933520 OOAGNZBCOBYQIF-QHCPKHFHSA-N 446.548 0.885 50 20 ICGD CO[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1783933592 ATBVSJJELKLLNZ-RBBKRZOGSA-N 432.521 0.577 50 20 ICGD COC1(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCC1 1784867683 DEXHOIPMAYKDMX-OAQYLSRUSA-N 431.493 0.088 50 20 ICGD COc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C 1784921365 HHNWARTYNNEYOR-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ccn1 1785101986 QVOWAILCZAKFME-QAETUUGQSA-N 425.913 0.602 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1787508165 LNAMAOXCQKTPSD-FVZNNPCVSA-N 431.493 0.137 50 20 ICGD CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1O 1790303580 RJNNXJBVMZMHIJ-USJZOSNVSA-N 439.896 0.544 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1791571587 HMEMNGOOMVXEAL-QGZVFWFLSA-N 427.929 0.661 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(C)C)[C@H]2C1 1791788121 ITDBZLGEUVDBEI-MPKALDKKSA-N 446.552 0.440 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794090908 RCGYFUOCGRFHQG-MUJYYYPQSA-N 431.631 0.207 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)nc1 1794654276 UYGNQBDXHRJUFH-GJPBQQDYSA-N 438.488 0.727 50 20 ICGD Cc1csc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732827 LYEGJVYJWKUHTA-UPHUGPLXSA-N 442.346 0.572 50 20 ICGD COc1cncc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1 1796189844 HYAIEBOTMDAYQC-ACDBMABISA-N 437.305 0.655 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)n1cncn1)C2 1796892986 DOKMDULYRAEJTP-WPPMCKGSSA-N 426.481 0.611 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ccccc2o1 1796966940 JEUNEKIPVLSDAJ-UPHUGPLXSA-N 434.257 0.630 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(CO)[nH]c2c1)c1ccc(B(O)O)cc1 1797388521 UDKTTZUXPYSJCM-BCDXTJNWSA-N 448.288 0.301 50 20 ICGD CC1=CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797750593 KZSQYYFVZYGUAB-GGXPGOJBSA-N 427.505 0.635 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1799219708 JUELMDPFDZRBMF-CLLJXQQHSA-N 443.416 0.648 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800757041 MALJNVXNNOTCLL-OEYIWLLWSA-N 439.310 0.184 50 20 ICGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1800759406 NGCZWPNBLABSJV-FMSGJZPZSA-N 441.326 0.912 50 20 ICGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)Br)(C1)C2 1800761710 FRKPPBJYICFZQS-AAFUSDTOSA-N 429.311 0.703 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCc1cccnc1 1801481205 BOCQSWZPSOSOEW-OPMZPASUSA-N 431.537 0.367 50 20 ICGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCBr)[C@@H]2c2cccnc2)O1 1803642027 ADZFZHLUDGZMLG-VNHYZAJKSA-N 425.283 0.981 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1811084066 XYFCRBVEWANKPE-RXVVDRJESA-N 445.288 0.493 50 20 ICGD O=C(Cc1cccnc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815694973 AHRAYJJDMKQDIK-INIZCTEOSA-N 436.302 0.686 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)Br)CC2 1819472416 HDXIYTWYQRJQPP-HHURGBBESA-N 449.327 0.903 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1O)CC2 1826087488 FEVMOBYVBYJOHO-LLVKDONJSA-N 432.506 0.843 50 20 ICGD O=C(c1cc(O)nc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726437 YQQUVTACUXBANM-SJKOYZFVSA-N 434.276 0.110 50 20 ICGD COc1cncc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830726642 SHLBJLZHXHONBN-PXNSSMCTSA-N 441.912 0.079 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NC(C)=O)CC2)CC1 1833487193 YYDREKSTOKKYNM-QGZVFWFLSA-N 430.977 0.727 50 20 ICGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)o1 1833899837 WLJIXMBXFDABHS-KRWDZBQOSA-N 445.314 0.596 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242209 SYRYSPSYDGYEAF-GUYCJALGSA-N 429.315 0.521 50 20 ICGD O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834621306 SIMAOZGZYBDQAS-KRWDZBQOSA-N 449.365 0.581 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3)CC2)CC1)c1cccc(B(O)O)c1 1834801525 SSXUXGMQKRUDAQ-HXUWFJFHSA-N 445.394 0.447 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3cccnc3)CC2)CC1 1834881121 QKRXAWVDLGVDMP-UHFFFAOYSA-N 444.580 0.569 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255016 ZNQOLXORCBWJLE-LSLCWXNRSA-N 448.347 0.514 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837401279 XMJISPDRPCVFIK-DCGLDWPTSA-N 437.306 0.706 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710311 UOQQVQGXOHVQEY-FQEVSTJZSA-N 443.617 0.457 50 20 ICGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1838211499 RQXXXMFHGNFDNF-FZKQIMNGSA-N 441.326 0.886 50 20 ICGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200211 DMVYJTQYBGTBCY-FZMZJTMJSA-N 437.291 0.607 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839963539 NTMABOIADGZQFY-KBXCAEBGSA-N 443.342 0.972 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839963860 YZEWFQOJCJEDIU-YOEHRIQHSA-N 429.315 0.664 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840151443 BJEXFMBMOXKBPV-KUHUBIRLSA-N 437.884 0.282 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)CCCCC3)C2)C1 1840185153 LRZYLLXLPBGAPR-QFIPXVFZSA-N 438.569 0.786 50 20 ICGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129495 USIOWTPOUWAXJN-JTQLQIEISA-N 445.339 0.686 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nnsc2C2CC2)C1 1843542244 VWEHJNSWACANDK-UHFFFAOYSA-N 427.490 0.545 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCC1=O 116308652 ULDKYWZRCALTBN-GOSISDBHSA-N 436.534 0.879 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726764225 CELKGPWNEIHHNF-UHFFFAOYSA-N 449.514 0.806 50 20 ICGD COc1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1OCC(N)=O 728210617 RAZJLTZEHHXQBL-UHFFFAOYSA-N 434.474 0.757 50 20 ICGD Cc1ccccc1[C@@H](CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NC(N)=O 728845505 KCZVJERJENATNU-QGZVFWFLSA-N 425.493 0.949 50 20 ICGD Cc1ccc(-n2ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C(F)(F)F)cc1 729277308 YWGMFTJZTXYLDE-SNVBAGLBSA-N 433.412 0.898 50 20 ICGD CCCOc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OCC 730569392 XXAUPONXQIFZOG-UHFFFAOYSA-N 435.506 0.909 50 20 ICGD O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732913892 GXTJLEOHDXYIQL-GFCCVEGCSA-N 431.419 0.565 50 20 ICGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c2ccccc2n1 734686510 PUKSOPOUYKFXNX-KRWDZBQOSA-N 426.521 0.894 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1 746128949 PWEQJUHAVKPLIL-UHFFFAOYSA-N 440.865 0.651 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 746749556 CFZPKTWBAIPCHS-UHFFFAOYSA-N 430.490 0.327 50 20 ICGD O=C(NNS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1csc(N2CCOCC2)n1 747323500 FKLIQHJWAZGJND-UHFFFAOYSA-N 448.530 0.848 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNC(=O)c1ccc(Br)cc1 748617633 LUZNBHXJHUVXBU-NSHDSACASA-N 431.287 0.561 50 20 ICGD O=C(NNS(=O)(=O)c1cccc2c1OCCO2)c1csc(N2CCOCC2)n1 751263959 QNXSHYITQHOYBL-UHFFFAOYSA-N 426.476 0.374 50 20 ICGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)COc2ccc(Br)cc2)C1 753093961 IDAVXLKQHLRHCC-LLVKDONJSA-N 449.327 0.440 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755658635 ZZHJGZPLIDVOKV-CYBMUJFWSA-N 426.495 0.521 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 756208332 ZWOCYSJDVZLEFY-CYBMUJFWSA-N 425.511 0.332 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)c2ccccc2c1=O 756771192 SFJRHAOGBVNMGC-UHFFFAOYSA-N 441.452 0.124 50 20 ICGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 758802882 FXIIDLJFQWXPET-AWEZNQCLSA-N 426.433 0.030 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(OC)c1OC 763673292 CLWTXAFCKXWBNM-UHFFFAOYSA-N 428.401 0.749 50 20 ICGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763802859 HYJDDSJVGXCAHZ-UHFFFAOYSA-N 443.416 0.770 50 20 ICGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763806857 FTOKQKOJBYRTTH-UHFFFAOYSA-N 430.442 0.435 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)cn2C)cn1 764004376 FPHOYXOJDNSJBW-UHFFFAOYSA-N 440.254 0.608 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NNC(=O)c2cnccn2)c1 764024517 LSEVWIGIBQWUJC-UHFFFAOYSA-N 448.505 0.524 50 20 ICGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 764077239 JWSMRFLEIOZRKT-UHFFFAOYSA-N 441.469 0.984 50 20 ICGD CCOC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 764259426 HETSAYSNCVTOQG-UHFFFAOYSA-N 446.489 0.717 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 764392261 DBCXZWKRVLAUEV-UHFFFAOYSA-N 430.442 0.904 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 764399362 KJGMLCNKEPLBSB-LLVKDONJSA-N 437.432 0.198 50 20 ICGD CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC 764400232 OVWXUKCEAHCVNP-JTQLQIEISA-N 435.886 0.271 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCC(=O)OC(C)(C)C)CC1 765846694 JOUUHCZTFXCMFP-UHFFFAOYSA-N 427.527 0.583 50 20 ICGD CCc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 768268176 LFHRQIZAIKLBHT-UHFFFAOYSA-N 431.478 0.112 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 768274766 ZYGMUGGOQTVCBW-OGCKGYDTSA-N 435.440 0.653 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1 768463973 YEWZKNXJANDNIF-UHFFFAOYSA-N 425.426 0.594 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2cc(C#N)cc(Cl)n2)s1 769076310 UROSEOJSZKGJKU-UHFFFAOYSA-N 442.910 0.726 50 20 ICGD CC(C)(C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1C(=O)c2ccccc2C1=O 769852166 ZKZLUNIXVWLWFE-UHFFFAOYSA-N 429.454 0.926 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)nc21 770964477 CLKXIORTGLCWNN-AWEZNQCLSA-N 437.464 0.850 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 772130587 ATKDNOBRPGTFRW-CJNGLKHVSA-N 443.460 0.888 50 20 ICGD CC(Cl)(Cl)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776739796 UQQFIEGZXNEJEX-UHFFFAOYSA-N 438.333 0.981 50 20 ICGD O=S(=O)(CBr)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 782418190 OHGTYIFQRPTDCL-GFCCVEGCSA-N 427.342 0.916 50 20 ICGD COc1cc(Br)ccc1CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 782549880 LYOXSJOJSSELLB-GFCCVEGCSA-N 434.312 0.908 50 20 ICGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C(=O)Nc1ccccc1OC(F)F 782896241 CUIBUDDVGXKDAD-UHFFFAOYSA-N 441.416 0.981 50 20 ICGD Cc1cc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nc(C)n1 783326495 GZZXKPSAXGSEDT-UQQQWYQISA-N 445.505 0.988 50 20 ICGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CO1 784018866 ZUVYYXRZNJCBIU-GDBMZVCRSA-N 425.507 0.213 50 20 ICGD O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784816845 DALRBQPVBWTLLG-UHFFFAOYSA-N 446.895 0.879 50 20 ICGD CN1C(=O)Cc2cc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 788707588 LWUSXCOAYPNHHF-UHFFFAOYSA-N 431.474 0.922 50 20 ICGD C[S@](=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797368330 AJPLXEWELAELFC-PMERELPUSA-N 432.458 0.436 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Nc1ccc(OC(F)F)cc1 802045578 SDOTVPYOHCTOCY-ZYHUDNBSSA-N 446.432 0.476 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 806973559 RNWVSYPURAHUEL-UHFFFAOYSA-N 442.472 0.845 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1Br 807369693 GBECNAIMCSNPHE-UHFFFAOYSA-N 438.300 0.647 50 20 ICGD Cn1ccnc(NNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1=O 810469524 MIRCOAHBSBAPBR-UHFFFAOYSA-N 439.803 0.874 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1C 812728931 FJNYEJQFTNKRTQ-UHFFFAOYSA-N 426.520 0.958 50 20 ICGD COCCN(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 816562666 UNDXOJIHWAIEAH-UHFFFAOYSA-N 427.523 0.858 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNc2ccccc2)cc1 823327361 GJWQMNJEGIQSFW-UHFFFAOYSA-N 433.490 0.525 50 20 ICGD O=C(COc1ccc(Br)cc1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 871003822 CMFWYCRQORUTQP-BNBDDXAPSA-N 448.273 0.782 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)CC1 914555155 KPAWFCFQVPHIKF-UHFFFAOYSA-N 439.523 0.310 50 20 ICGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 917918728 BKUDAFUIJIKYRH-ZDUSSCGKSA-N 430.914 0.786 50 20 ICGD CCN(CCCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1)S(C)(=O)=O 918119137 MNESRUIQRHKNHN-UHFFFAOYSA-N 436.560 0.066 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1 920211671 IMTTWYKDFJAYCX-UHFFFAOYSA-N 443.485 0.727 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1F 920310311 AXAHDRMCRNNMTM-UHFFFAOYSA-N 430.435 0.624 50 20 ICGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=S)NC(C)C)cc1 1323152254 WXAMHJYFEIGGDS-UHFFFAOYSA-N 432.568 0.487 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779060778 KZUGCFHBGQFNPX-AHIWAGSCSA-N 426.315 0.890 50 20 ICGD Cc1ocnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1779866963 PDRYLAUIKZAOGL-IIBYNOLFSA-N 442.476 0.423 50 20 ICGD COC(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1780895853 XDCWNXZLCFBHFZ-FZKQIMNGSA-N 430.910 0.507 50 20 ICGD C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969112 VKHIUTPHGDXCEA-IERDGZPVSA-N 449.577 0.481 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)c1OC 1781821635 OJFWXAQNWHQMAZ-ORAYPTAESA-N 428.869 0.453 50 20 ICGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1782439939 FMARDNYGQSVZCN-XTQVGHSUSA-N 439.321 0.557 50 20 ICGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C(C#N)=C/c3ccc(F)cc3F)C2)C1 1782867505 PFVUUYFVURTGGT-FLQJBOFYSA-N 432.427 0.836 50 20 ICGD CO[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)c1ccccc1 1783933594 ATBVSJJELKLLNZ-UNMCSNQZSA-N 432.521 0.577 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937242 QUYVLUQWTFNZRP-DYVFJYSZSA-N 433.347 0.363 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1783967761 LMIWEUHGACPXPO-CYDGBPFRSA-N 425.345 0.042 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1783973178 UDGLCIXNYBZWEQ-QPSCCSFWSA-N 441.326 0.254 50 20 ICGD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1786529785 AWKJLKMYHRSCQQ-IHPCNDPISA-N 446.548 0.590 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788783349 RBAWWTULRJBLBN-OWSLCNJRSA-N 446.552 0.235 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789866663 WJGNZFLZNZUWSB-FJXLLPKBSA-N 443.136 0.196 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791063214 DDDFOOFECZYRNS-NAKRPEOUSA-N 444.248 0.428 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791063567 LDQUJZHTGZSEMP-RFGFWPKPSA-N 433.347 0.123 50 20 ICGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)c(=O)nc1O 1791297949 QTOPUNPGHZYAFX-SRVKXCTJSA-N 433.292 0.041 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793647910 FKHMJKGRXRCJIN-NDKCEZKHSA-N 444.916 0.865 50 20 ICGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796360957 GZXQYDZOPMLUSE-JGAAPJFWSA-N 441.887 0.290 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796860674 OJBSQLLUOHOEOX-VDNDLQMASA-N 428.323 0.575 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1O 1797752917 MDJJMGYSMRNMQF-CCWDJLKJSA-N 439.472 0.216 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339649 DTSKZTVCNPGELQ-CWQOZTLDSA-N 434.537 0.753 50 20 ICGD CCOCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806505141 QHYQNDZXFIMTFE-HNAYVOBHSA-N 426.477 0.436 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366497 ZLJQMQMXWQMDNU-UTKZUKDTSA-N 448.263 0.929 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967153 ACEIZHRXXUICOU-UHFFFAOYSA-N 443.353 0.518 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1810302510 LMFYNVHKHYKMJO-GGXPGOJBSA-N 438.488 0.171 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nccn2C)[C@@H]1c1cccnc1 1813071264 RFYCIQFEZZCQBJ-VQIMIIECSA-N 427.509 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncn2C)[C@@H]1c1cccnc1 1813071304 RTMWPOMFWVUNJE-OXQOHEQNSA-N 427.509 0.508 50 20 ICGD Cn1ccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354692 AUVATILFHYJMGH-CYBMUJFWSA-N 425.279 0.096 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1csnn1 1815363229 RBUHLXHHNSSPHK-HNNXBMFYSA-N 426.267 0.561 50 20 ICGD C[C@@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249083 FPPKLRHNZZLKBD-SCVCMEIPSA-N 429.319 0.778 50 20 ICGD CCO/C=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1826465483 RYBAPFSYSIRWCJ-LXSSAFMLSA-N 430.490 0.918 50 20 ICGD Cc1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)no1 1826642169 TYOHOBWNMWZNSU-GFCCVEGCSA-N 434.522 0.967 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCBr)CC1 1826818930 ISELOUDKSXYLCN-LSDHHAIUSA-N 431.375 0.984 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830537429 HQNXFKQJQFYSSQ-YRBFXIGRSA-N 434.375 0.847 50 20 ICGD CCc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830725164 LUVQKXWPXPYAMZ-UGSOOPFHSA-N 449.335 0.306 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831807945 BGGJAAREEDRNKT-GOSISDBHSA-N 443.342 0.892 50 20 ICGD Cn1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cn1 1832271994 JQTHXOUJZCZBBK-OAQYLSRUSA-N 438.337 0.576 50 20 ICGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)cn1 1833817115 KUPRGSITMMMSQX-YVEFUNNKSA-N 427.299 0.638 50 20 ICGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1836062275 JVBHNXFWLPDCSV-HOCLYGCPSA-N 433.278 0.110 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1836395010 NVMGFUFZAKBXCL-OAHLLOKOSA-N 427.933 0.127 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836672820 CEDZEECCAKORCL-LBPRGKRZSA-N 443.342 0.892 50 20 ICGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837402161 DRKGFXHVXCEUMZ-GLJUWKHASA-N 433.343 0.799 50 20 ICGD Cn1nccc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837484400 HKIXQFXIXIQLRO-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD Cn1cncc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837511696 HQADGECBXHAINU-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cc3cnn(C)c3)CC2)CC1 1838789410 OYQNPHUKHRIXLS-UHFFFAOYSA-N 448.568 0.334 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839152098 NPSBJFNSRJCKIO-HUUCEWRRSA-N 447.262 0.789 50 20 ICGD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198741 ARQHYZPGTOBJBJ-BXUZGUMPSA-N 441.323 0.150 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839963313 HRNRZWNSVAVKMD-CXAGYDPISA-N 429.315 0.664 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840030555 PDZHHOIBWSCEAQ-RVKKMQEKSA-N 432.359 0.711 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840033914 UPVZVBUSVVGDMN-YFKXMMLCSA-N 444.326 0.061 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840150850 RVXODPLZPKQDMJ-SUMWQHHRSA-N 433.292 0.454 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840155444 CAJRVXINJXRTGG-ZWOKBUDYSA-N 433.977 0.675 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840187766 VOSTTYSBEPHNKQ-UZLBHIALSA-N 442.343 0.961 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840462612 LOKCRLIFMSTTHH-KDOFPFPSSA-N 443.342 0.450 50 20 ICGD Cc1cc(C)n2ncc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2n1 1843011247 JCBWGLLPHVRTSK-UHFFFAOYSA-N 433.277 0.157 50 20 ICGD Cc1cn2c(=O)c(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)cnc2s1 1843786025 SWPMQYUKGMGZBP-UHFFFAOYSA-N 446.533 0.254 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1845036674 KBGIFCQQLUHUKK-UHFFFAOYSA-N 437.305 0.744 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 10454250 JEIMHXCPUNKCTG-UHFFFAOYSA-N 441.849 0.614 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 16146049 YKKRFWZZRXAKMP-ZDUSSCGKSA-N 427.438 0.683 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CS(C)(=O)=O)o2)cc1OC 726044961 AIKNWCLTBXZAEF-UHFFFAOYSA-N 440.430 0.459 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1ccc(-n2cnnn2)cc1 727798900 GFVADJNRCOUGQQ-GFCCVEGCSA-N 427.343 0.587 50 20 ICGD COc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)(F)F 728433733 FFQQDBUIIJEHIT-QMMMGPOBSA-N 442.372 0.932 50 20 ICGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CCc2ccccc2O)cc1 729964999 KIBFZCMLIGSVKY-UHFFFAOYSA-N 427.504 0.585 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)o1 730765741 NOVYVCCXDPAPAC-UHFFFAOYSA-N 445.475 0.005 50 20 ICGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)C2=O 732260934 JFLLNYGEYOJOQP-WVSLAOEZSA-N 437.541 0.524 50 20 ICGD COCCn1c(N)c(N(CC(=O)NNC(=O)C(C)(C)C)Cc2ccccc2)c(O)nc1=O 744386189 FPNQVXRDFAOIBG-UHFFFAOYSA-N 446.508 0.378 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 746184882 ICHMWCDQZZSPDM-GOSISDBHSA-N 432.440 0.869 50 20 ICGD COc1ccccc1NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccs2)CC1 750231787 FCVSZDRGMRZFTI-UHFFFAOYSA-N 431.518 0.774 50 20 ICGD Cc1ccc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 753896972 HHRSFHGCMMBGNV-UHFFFAOYSA-N 435.502 0.932 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1OC 756050386 XSRZQPCYXNXUML-INIZCTEOSA-N 447.536 0.093 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 756835057 LGMZCNLNRUZSMJ-UHFFFAOYSA-N 430.465 0.536 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc(Br)c1 758037334 ZZUUABLBQYBENJ-MRVPVSSYSA-N 445.299 0.037 50 20 ICGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763551550 PMGKGMZSSIFGNV-NSHDSACASA-N 428.401 0.788 50 20 ICGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)n1 763640304 WQNBLMXSTKBTLB-UHFFFAOYSA-N 425.323 0.364 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 763648379 CUGUGSGPZFHCFU-UHFFFAOYSA-N 428.445 0.593 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 763664877 LFCNTPIDLGDAGL-UHFFFAOYSA-N 431.470 0.798 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1C 763850324 OISYMGNWFZTRFA-ZDUSSCGKSA-N 434.474 0.655 50 20 ICGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763867476 VLLLQWGHRUSFRD-GFCCVEGCSA-N 437.391 0.831 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(Br)cc1F 764001915 GRXHQHRADMRJQX-ZCFIWIBFSA-N 440.222 0.248 50 20 ICGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2C(F)(F)F)C[C@@H](C)O1 764211918 MQZVHYPAIJWSMI-VXGBXAGGSA-N 445.442 0.967 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)c(OC)c1 764284755 SIYUEQMHTOQMRC-UHFFFAOYSA-N 425.405 0.388 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)c1 764301463 FJSYCQBVBXRMCY-UHFFFAOYSA-N 432.502 0.967 50 20 ICGD Cc1cccnc1C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764385765 IEJMTQSDOBBWIS-UHFFFAOYSA-N 441.513 0.908 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)OC)c1 765372910 CBUADNLFPOAMLS-UHFFFAOYSA-N 430.483 0.830 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cccc(Cl)c3o2)n(C)c1=O 765731142 QPAIBBFBVZKLFA-UHFFFAOYSA-N 430.808 0.295 50 20 ICGD Cc1cccc(-c2cncc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)c1 768572727 XWBQKJIESLTWJY-UHFFFAOYSA-N 447.455 0.265 50 20 ICGD COCCC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 769222938 MFWMTCLGAWQLGZ-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD O=S(=O)(CBr)NC1CCC(NS(=O)(=O)CBr)CC1 769935096 JVPBRANZGZBLGU-UHFFFAOYSA-N 428.168 0.841 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 770254464 QPRJNKBKXCMHIC-UHFFFAOYSA-N 439.881 0.063 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1F 773885852 RQZHWGSCCFXPFO-UHFFFAOYSA-N 448.476 0.769 50 20 ICGD NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 777792763 WFOPVDIENFCSEQ-INIZCTEOSA-N 446.504 0.940 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 784004835 LEXGDPKMHKYXSI-UHFFFAOYSA-N 430.446 0.008 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cnc1Br 784009565 SHTNINRMZQNTBP-UHFFFAOYSA-N 440.279 0.730 50 20 ICGD COC(=O)c1scc(C)c1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 785490667 XURMCNLDEJEPKD-UHFFFAOYSA-N 432.501 0.870 50 20 ICGD COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C 790253001 TXFYEQUUGCOKFR-DTBYZMGXSA-N 434.562 0.990 50 20 ICGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 795765131 ZVLKDUZBSKYELN-UHFFFAOYSA-N 437.444 0.712 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 797001104 FGHAOBUNJBTHLR-KRWDZBQOSA-N 425.445 0.942 50 20 ICGD O=C(NNC(=O)C1(c2ccc(I)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 799863338 BVLJKXQKKQYDIL-SNVBAGLBSA-N 448.282 0.905 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cncc(-n2ccnn2)c1 801889576 MEHCBILNFSNRBW-UHFFFAOYSA-N 430.808 0.942 50 20 ICGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Nc3ccc(Br)cc3)nc2n(C)c1=O 801999291 AEYDRDKZAUGTCE-UHFFFAOYSA-N 447.249 0.861 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 811835952 WTBHTYWQXHHSBH-UHFFFAOYSA-N 435.458 0.229 50 20 ICGD C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)C1=O 812987716 OFVVVJRENHUZQO-WLRWDXFRSA-N 449.489 0.499 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751660 IQUJOHNQJPGURT-UHFFFAOYSA-N 433.490 0.768 50 20 ICGD CCOC(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 844190146 BTABSKMCIMUKOV-UHFFFAOYSA-N 437.449 0.877 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2ccccc2OCc2cccnc2)c(=O)n(C)c1=O 915957457 KIWVNZBCASESEX-UHFFFAOYSA-N 440.485 0.695 50 20 ICGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2)C[C@H](C)O1 918707013 BDJZXSYHMWDQAL-QWRGUYRKSA-N 438.428 0.991 50 20 ICGD CCCOc1ccc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1OC 920275578 ZSYCPAMPVIVJQI-UHFFFAOYSA-N 444.448 0.553 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)c2ccccc2c1=O 1319254086 RGCVZALQSKNLGC-UHFFFAOYSA-N 441.469 0.408 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)NCC2(O)CCS(=O)(=O)CC2)N(C)c2ccccc21 1322148096 DBZLHEVNCFKLTI-UHFFFAOYSA-N 446.529 0.713 50 20 ICGD CC1=CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1778096212 IHLSAKBOUDSYBC-KSFYIVLOSA-N 427.505 0.875 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778589033 RTYVSOPJKYAOCW-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD COc1cccc(OC)c1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1780542343 VLGBPRRSXWUFSB-QFIPXVFZSA-N 448.520 0.520 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1781227542 BAZYYUGKKPQGND-IRXDYDNUSA-N 431.276 0.855 50 20 ICGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1782716911 FOSVFSZOFVDYLR-OSAQELSMSA-N 443.335 0.626 50 20 ICGD COc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933453 JSVVUFQKGKLYPG-QFIPXVFZSA-N 447.536 0.226 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1783934284 CLNHULZCIPVAPO-PGRDOPGGSA-N 430.505 0.193 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc(F)c3F)C2)C1 1785090401 WLOFIIXCUFXPTK-FQEVSTJZSA-N 442.438 0.920 50 20 ICGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)Br)C[C@@H]32)n[nH]1 1785840555 BTSVCOKLZYRJHU-ZFVXVEAMSA-N 427.299 0.989 50 20 ICGD CC(C)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1786226004 KVHVJDBQTNMFKJ-MPGHIAIKSA-N 435.525 0.764 50 20 ICGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787625605 KEOFYVSEZHIUIZ-DZKIICNBSA-N 443.342 0.908 50 20 ICGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789198122 IDLNOSRKOCTWNN-YXWQFLTLSA-N 433.896 0.700 50 20 ICGD CC(=O)N[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789521947 PKAZVPPZQZEQKO-ZDUSSCGKSA-N 438.488 0.957 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)ccc1F 1791288624 MUYMUSMHDNSFOP-MPGHIAIKSA-N 435.500 0.495 50 20 ICGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795471106 KLUHKNFXDMMLOQ-IVSAIRAKSA-N 432.359 0.472 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c21 1796191877 IWUCWYGCDRLNOJ-BJWYYQGGSA-N 448.288 0.524 50 20 ICGD Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc2ccccc21 1796767296 RTGOKWRQTJLYKD-OPMZPASUSA-N 447.300 0.375 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC(=O)C(F)(F)F)C2 1798440372 LBLJOFALKURQER-JGPRNRPPSA-N 443.382 0.042 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(Cl)c1 1798875767 PSIZRQHPNUADJC-HGKCTWBKSA-N 428.681 0.537 50 20 ICGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)c1ccco1 1799346182 HHQODKSFWUVWGV-DJBIQUGXSA-N 432.246 0.290 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)Nc1ccc(F)cc1)C2 1800978793 KBJITHHOTTWPCF-UESRRSCYSA-N 441.887 0.998 50 20 ICGD O=C(CN1CCCC1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802557345 PAIHPBWJYVQZOG-UGKGYDQZSA-N 436.321 0.177 50 20 ICGD CC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806386190 DLVJGQFZPBGGMU-JXFKEZNVSA-N 438.488 0.769 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806840592 DVFKUMBEQJVICE-CHWSQXEVSA-N 443.342 0.847 50 20 ICGD Cc1noc(N)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807104240 FQYPFGORVKTEIA-QFBILLFUSA-N 449.276 0.273 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360686 UAWYPDJHROHPER-OZOXKJRCSA-N 435.289 0.119 50 20 ICGD O=C(Cc1ccccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807654346 RHNIXKKQPMZSPE-CVDCTZTESA-N 444.300 0.719 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1c1cccnc1 1810305608 NAKRYEBOWPLHQS-ZYSHUDEJSA-N 438.488 0.579 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)[C@@H]1c1cccnc1 1813030615 DTPLBWYRXAJIEJ-WNRNVDISSA-N 440.928 0.492 50 20 ICGD Cc1ocnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1820854464 OQRDDBJHDYXFQX-JTQLQIEISA-N 441.473 0.978 50 20 ICGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CO[Si](C)(C)C)CC2)C(=O)C(=O)O 1824673045 AWAALRFKBNESGS-SNVBAGLBSA-N 442.570 0.450 50 20 ICGD CCOc1ccsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720277 VSYCZDKHADTXKJ-ACJLOTCBSA-N 432.926 0.817 50 20 ICGD COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830727024 ZGXSGSIBKFISGO-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1831453002 YCCXKFTXIHJHTJ-KBXCAEBGSA-N 438.974 0.389 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1831658569 XMRVPVCPCWDDHO-GDIGMMSISA-N 434.917 0.466 50 20 ICGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)n1ccnn1 1831874999 PRFLKKNDEGFBLR-WMZOPIPTSA-N 433.557 0.832 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CC2(O)CCC2)CC1 1832459385 KKFOQRLOUYVRQB-FQEVSTJZSA-N 428.338 0.905 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638190 YCYLPSCFGHHYGV-IBGZPJMESA-N 445.004 0.534 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837020515 QTQADULFBOFLTB-DNVCBOLYSA-N 437.884 0.053 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839048988 CNHXRHUHPQFDKZ-UZLBHIALSA-N 435.912 0.746 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839142173 IIIXPHNEZDGWGM-YOEHRIQHSA-N 429.861 0.265 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155567 XSKBAOWPEJVHTO-DQADQBJQSA-N 436.336 0.719 50 20 ICGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031119 GBYOILXNMAGBKO-SCLBCKFNSA-N 442.310 0.944 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840032315 VCHSPGYCJAXVKU-MEBBXXQBSA-N 433.328 0.579 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841224494 BUYPHGHRYPXEMF-PVAVHDDUSA-N 437.924 0.623 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)NC(=O)CC3)C1 1843233432 QQXMFMGSRXMDRI-UHFFFAOYSA-N 428.493 0.156 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844874735 NWPBEXBVYVKKHL-UHFFFAOYSA-N 439.472 0.833 50 20 ICGD O=C(COc1cccc(Cl)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847415834 XIYYXHJYLYPETN-OALUTQOASA-N 428.681 0.914 50 20 ICGD CN(C)C(=O)COc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 28621069 FQHHVRLVFDBDDM-UHFFFAOYSA-N 433.490 0.522 50 20 ICGD C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)C(=O)N1CCCC1 726283191 XVTOAQDANRWZAA-OAHLLOKOSA-N 430.509 0.957 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726440055 QTANDBYGZMSXKL-NSHDSACASA-N 426.495 0.936 50 20 ICGD CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2C#N)c1 727608061 KMCPXJNUVAWEKR-CYBMUJFWSA-N 431.474 0.937 50 20 ICGD C[C@H](CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NC(=O)C1CCCCC1 728343331 MTXOJXULNKUWLM-RDTXWAMCSA-N 447.488 0.992 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 728503108 IRZAWMSFNFWLOI-LURJTMIESA-N 433.252 0.472 50 20 ICGD CC(C)(C)CC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 728597069 MIEOWSQTDMSZFQ-UHFFFAOYSA-N 426.543 0.300 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 728821156 DIGHDVLQAAUYSN-UHFFFAOYSA-N 444.263 0.637 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 728828287 PUYKRWWMEANRNG-UHFFFAOYSA-N 432.433 0.793 50 20 ICGD O=C(COCC(=O)NNC(=O)Cc1ccc(F)cc1)NNC(=O)Cc1ccc(F)cc1 729836395 BJCLDAQMZUJCLJ-UHFFFAOYSA-N 434.399 0.061 50 20 ICGD CCOc1cccc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 730265823 MTPWDTRMMFPCPP-UHFFFAOYSA-N 428.449 0.972 50 20 ICGD C[C@@H]1Oc2c(cccc2C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)NC1=O 732339551 OWOPTOOQDXLKDG-JTQLQIEISA-N 428.357 0.932 50 20 ICGD O=C1CCc2cc(Br)c(S(=O)(=O)NNC(=O)N3CCOCC3)cc2N1 734807506 SMESYTKQXPOIIQ-UHFFFAOYSA-N 433.284 0.569 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 735446143 YQBQTKRZKKYPNM-OAHLLOKOSA-N 436.450 0.333 50 20 ICGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 745995780 BACFFACMMHFJSP-ZDUSSCGKSA-N 441.466 0.069 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 753697982 RKHHSWFHFKJDGG-SNVBAGLBSA-N 449.327 0.826 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755305289 XZLUIIKASHZSAO-UHFFFAOYSA-N 440.400 0.415 50 20 ICGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc12 757671516 MXOMDFOOWVUHMP-GFCCVEGCSA-N 435.458 0.979 50 20 ICGD C[C@H]1CN(Cc2cccc(CNC(=O)NNC(=O)C(=O)Nc3ccccn3)c2)CCO1 758712210 SCHMVYOMJXXKIH-HNNXBMFYSA-N 426.477 0.771 50 20 ICGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 759661429 GGRZZACQURVUOG-UHFFFAOYSA-N 448.509 0.830 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 763186372 NDZJTQGBXBXRGM-QMMMGPOBSA-N 426.207 0.626 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763807643 PKTLVVFBTBMLDT-UHFFFAOYSA-N 439.428 0.238 50 20 ICGD CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc2)o1 763808417 VVQIZEFAFYQABJ-UHFFFAOYSA-N 449.427 0.839 50 20 ICGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)CC1 763994150 XCTANHVRXWFIKQ-UHFFFAOYSA-N 426.477 0.203 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764164336 OIKRMZPYOHTHGV-QGZVFWFLSA-N 426.429 0.291 50 20 ICGD CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764241778 IJDMSNIZMSUEHU-UHFFFAOYSA-N 432.433 0.970 50 20 ICGD CCOC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662722 CSVYEXDVUYLYPZ-UHFFFAOYSA-N 425.917 0.741 50 20 ICGD CCN1CCN(C(=O)CC2CCN(CC(=O)NNC(=O)Cc3ccccc3C)CC2)CC1 766885877 ZOMGSLACTHPLEY-UHFFFAOYSA-N 443.592 0.951 50 20 ICGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1 771717836 XUAHNADLHQQQIP-UHFFFAOYSA-N 430.446 0.298 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(Br)cn1 773662971 XKIJQGSKWJZTDY-UHFFFAOYSA-N 426.252 0.422 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 776295136 IBDUZWQRRQCVMF-UHFFFAOYSA-N 427.874 0.882 50 20 ICGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 782250712 XTPBIKWBLIKQEN-UHFFFAOYSA-N 430.435 0.639 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CCCCC2 782967705 WCAHFEIGGBHLGB-UHFFFAOYSA-N 436.490 0.558 50 20 ICGD C[C@]1(NNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCS(=O)(=O)C1 783425660 IZCFKSZYABORFK-IBGZPJMESA-N 429.458 0.882 50 20 ICGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)n(C)n2)c1 784004214 KXUYFKMCSKYCAP-UHFFFAOYSA-N 440.416 0.205 50 20 ICGD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2O1 785991100 PBDYQJZYOYHKSJ-FQEVSTJZSA-N 437.416 0.959 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 794577612 XOMUNARKNXKWGU-UHFFFAOYSA-N 428.448 0.435 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)Cn2ccc3ccccc32)cc1C 794587626 NNFXRORAUIVEKV-UHFFFAOYSA-N 436.515 0.868 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)cc1 801106687 YBKZKVCLQHEORM-UHFFFAOYSA-N 441.488 0.698 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976365 BJNLBBMPLPXNEY-LSDHHAIUSA-N 442.497 0.474 50 20 ICGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 808098597 QOTHXJXUIDICLP-UHFFFAOYSA-N 440.566 0.262 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)COc2ccccc2F)cc1S(N)(=O)=O 808187077 XSRGVTOIBLFRFI-UHFFFAOYSA-N 426.426 0.391 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)Cn2ccc3ccccc32)cc1S(N)(=O)=O 808265846 AEDWGRVIEIFHBX-UHFFFAOYSA-N 431.474 0.828 50 20 ICGD COc1ccc(CNC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1S(N)(=O)=O 808298635 YGUNISMVRAZVGU-YJBOKZPZSA-N 448.501 0.746 50 20 ICGD Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815690951 AQUCPKXFFOGJME-MRXNPFEDSA-N 433.472 0.921 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(OC[C@@H]2CCCO2)c1 815691334 MTAULOWOULQIMA-GJZGRUSLSA-N 442.476 0.493 50 20 ICGD Cn1cc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(=O)n(C)c1=O 839388234 VRIGBGYUDLRDRN-UHFFFAOYSA-N 447.498 0.710 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 913597097 QUGDNNJXGBLTML-UHFFFAOYSA-N 429.458 0.529 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(C)(=O)=O 916093883 BRGZPXMAAQNNKP-UHFFFAOYSA-N 439.515 0.724 50 20 ICGD O=C(NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 917735722 ZHKUGZDSYXFTPT-ZETCQYMHSA-N 442.269 0.102 50 20 ICGD COc1ccnc(NNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)n1 918217639 LGVCZYZGAZFLKS-OAHLLOKOSA-N 430.465 0.986 50 20 ICGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 918401513 GPYLYJIQDXYKDK-SNVBAGLBSA-N 439.523 0.200 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(Cl)nc1 921027433 UOEDDKZENFXGBN-UHFFFAOYSA-N 429.911 0.875 50 20 ICGD CSC[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1317736958 BVSBRVRCLRKEIK-TYNCELHUSA-N 433.534 0.956 50 20 ICGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320565644 KYCOAJNLAVUCEN-HZPDHXFCSA-N 444.529 0.784 50 20 ICGD O=C(c1cnc2ncccn12)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1777931399 IKEVIYBXKWZHLU-LRDDRELGSA-N 426.246 0.863 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1 1779545495 SMUMJTPFMAFMOI-IDHHARJASA-N 445.589 0.416 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2O)C1 1779619342 DIOBOQKYGOCCCZ-DYESRHJHSA-N 433.509 0.288 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1780699458 FRCRPLWCYSRTDJ-OIPACUDHSA-N 437.990 0.846 50 20 ICGD CCC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)COC1 1781650974 IBGQXJOZNJOZKQ-VGOFRKELSA-N 445.520 0.239 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1782179819 NCBIRAMTFKCWNV-SPYBWZPUSA-N 426.901 0.011 50 20 ICGD Cc1ncsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210780 KWVJFMLKAGZQHA-FOIQADDNSA-N 437.566 0.952 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 1783406933 HZZHIWYWTLVCSU-OFVILXPXSA-N 448.328 0.615 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@H]2C1 1784312289 PESXQFDSLUODNQ-QUSNUVHPSA-N 431.961 0.771 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1784966328 MFVCXUWJDPNFQQ-QHCPKHFHSA-N 444.532 0.828 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1O 1786981912 PIXCKVJIJCBLIY-CUWPLCDZSA-N 438.289 0.288 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984590 UNMCQCDMGUNEMV-LPCYXGDASA-N 434.301 0.673 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3scnc3C3CC3)C[C@@H]21 1791288703 NNOJTKHDMIOUAE-JYJNAYRXSA-N 449.577 0.987 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298442 QCCQFYZCVHMGHO-MHEUCROKSA-N 446.335 0.240 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792884385 MPGSWHHYANZPJH-YIDVYQOGSA-N 447.960 0.869 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCc3sccc3C1)C2)[C@H](O)CCl 1792975345 ODPPBQYZEYXGFO-BASYENTBSA-N 427.954 0.296 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCCC1(F)F 1793481434 QFJQPYYGOQXRJG-MVJTYMMSSA-N 436.264 0.395 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186420 LQOPWRDSZXCDIL-WRWGMCAJSA-N 437.298 0.843 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc2cccnc2nc1O 1796193142 OJMKLYCWYAWHRU-BCDXTJNWSA-N 446.272 0.581 50 20 ICGD O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797784836 PXRPBKZFZAMZRO-XRGAULLZSA-N 431.302 0.965 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c21 1799118363 WXBIDJOLMMGAHR-BJWYYQGGSA-N 448.288 0.524 50 20 ICGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Cl)C3)N1 1801446287 SAMDIORSFHBELZ-WBWNACRCSA-N 446.932 0.339 50 20 ICGD COCC(=O)NC[C@H]1CCN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[C@H]1c1cccnc1 1806490247 VEXQJJNCVKRJHW-AMZZFQKZSA-N 426.477 0.868 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)o1 1807374002 FWMBZONLZRAYKX-AZUAARDMSA-N 448.288 1.000 50 20 ICGD Cc1cnn(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)c1 1807665432 QEWFRBMLMYQUOC-KNQAVFIVSA-N 447.304 0.286 50 20 ICGD O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966641 IUROOLMWJVVRBT-UHFFFAOYSA-N 439.277 0.331 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067902 HHUGADLRLMPFDR-MMOPVJDHSA-N 429.521 0.499 50 20 ICGD C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349976 BMKWGPOOWBSTRT-WFASDCNBSA-N 427.291 0.087 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)C(=O)O 1817475857 WOOJRGGXHCYSLY-UILAEWCASA-N 426.238 0.426 50 20 ICGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)N1C[C@H]2C[C@H]2C1 1819580418 RTBHWKOPDKQEBH-APIJFGDWSA-N 448.593 0.768 50 20 ICGD COC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819791300 NJCBDPQUZMCUSE-SNVBAGLBSA-N 432.506 0.792 50 20 ICGD Cc1n[nH]cc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819798137 YSYCVOLXLKUSTQ-JTQLQIEISA-N 440.489 0.713 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Br)sc2C1 1823001759 LMRHPEFKWACYNK-NJUACVTBSA-N 448.274 0.344 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)NC2)CC1 1823843237 LQCHKCNNSAFVSY-ZWKOTPCHSA-N 435.569 0.505 50 20 ICGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)N1CCN(C)CC1 1824185553 YKHOSPZGYWWBHM-NEWSRXKRSA-N 429.005 0.842 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1830537124 BSTUSCGYAQLRNA-ZBEGNZNMSA-N 447.355 0.826 50 20 ICGD Cc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830543707 ZFLZAPZTJOWLLV-SCLBCKFNSA-N 441.326 0.886 50 20 ICGD Cc1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1831781974 GZETZFRBZFVTLU-HXUWFJFHSA-N 438.550 0.500 50 20 ICGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cn1 1831952655 KBXFHEAKHOGMNB-WMLDXEAASA-N 446.273 0.851 50 20 ICGD COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1832590225 JOMWWQHLCPSRQO-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n(C)n1 1833308317 ROHWHVDMUWBDMP-MRXNPFEDSA-N 427.933 0.214 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1835025980 GSUAFGJBECUYOV-PXNSSMCTSA-N 426.897 0.294 50 20 ICGD O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Br)CC3)CC2)=NN1 1835702342 VJUWJMYRZXOQSI-AWEZNQCLSA-N 432.294 0.124 50 20 ICGD O=C(c1cnn2cccnc12)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836851714 YHJNJMBVIBIPAQ-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c2cccnc21 1837187259 WTKRWSQYABVCQQ-OXQOHEQNSA-N 436.896 0.243 50 20 ICGD O=C(CC12CCCN1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839116809 PBSJLXUIQONHNE-UZLBHIALSA-N 429.945 0.061 50 20 ICGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839715532 HUMYBXNYFHRLLT-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)no1 1840369123 BVFPEYKUZSLZTD-HOCLYGCPSA-N 434.262 0.672 50 20 ICGD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC=CCC1 1840553825 DNUHKPHMJYRPEG-DHIUTWEWSA-N 442.321 0.183 50 20 ICGD O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NNC(=O)[C@H]1COc2ccccc2O1 9074133 PHIXIPNRSZPCIY-OAHLLOKOSA-N 443.437 0.875 50 20 ICGD Cc1cc(=O)c(C(=O)NNC(=O)C(=O)NC(C)C)nn1-c1cccc(C(F)(F)F)c1 45500696 OYAFWZOBJAGVTH-UHFFFAOYSA-N 425.367 0.845 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 725872317 NBDBBMABSMIFGQ-UHFFFAOYSA-N 446.439 0.146 50 20 ICGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2ccc[nH]2)c1 726630226 KNOMIDPPSOVUHJ-UHFFFAOYSA-N 445.295 0.777 50 20 ICGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728323413 FQJGNMSHJFAVGR-XJKSGUPXSA-N 433.461 0.554 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCOCC1(C)C 728399443 FDBZJDRLAWIGSP-UHFFFAOYSA-N 426.543 0.343 50 20 ICGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(I)c1O 728436831 SZZGLQAERPRQNO-SSDOTTSWSA-N 441.247 0.393 50 20 ICGD CCOc1ccccc1C(=O)NCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728981718 YAFZQNZJQVRXIN-UHFFFAOYSA-N 426.477 0.669 50 20 ICGD CN(C)CCOc1ccc(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 729221039 HBWUOZWOMJGYCK-UHFFFAOYSA-N 438.492 0.789 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2O)cc1 730835956 NTHDAZIUYLHOSE-UHFFFAOYSA-N 435.458 0.490 50 20 ICGD O=C(COc1ccccc1F)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732235673 FUOVVIKGDICKSS-ZDUSSCGKSA-N 432.474 0.023 50 20 ICGD CN(CC(=O)NNC(=O)CCOc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737821123 PJMKVCHJNMKRLG-UHFFFAOYSA-N 436.446 0.832 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 740851883 ZZSOUONFWPYMKE-GKUQOKNUSA-N 443.504 0.242 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1 741648259 YGVGCTJPEYIZCK-GFCCVEGCSA-N 443.503 0.510 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2)cc1 746950345 UEQSWVJCSSYDJV-KRWDZBQOSA-N 443.591 0.888 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2=O)c1 747952557 BIQLYSWYLLYFJI-YJBOKZPZSA-N 426.495 0.190 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 748614741 MENUNVXCYBRUHC-CQSZACIVSA-N 428.511 0.353 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)c1 752274029 JCMMCTBKNNZYJP-UHFFFAOYSA-N 449.869 0.605 50 20 ICGD COC(=O)c1ccc(NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 757174439 SOBVAXGJJHMALW-GFCCVEGCSA-N 438.462 0.090 50 20 ICGD CNS(=O)(=O)c1csc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758523501 QATLCCMBVPWQFA-UHFFFAOYSA-N 446.370 0.096 50 20 ICGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758841879 XOSITRDYMBSCJI-UHFFFAOYSA-N 427.446 0.424 50 20 ICGD CN1C(=O)C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 760172627 MVEYYMUKTXHSOD-UGSOOPFHSA-N 447.854 0.971 50 20 ICGD CCc1noc(C)c1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763531242 LULIIAJQTLZMSS-UHFFFAOYSA-N 428.493 0.844 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1 763665853 POUGSFBNFXXRNT-UHFFFAOYSA-N 427.396 0.583 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1N1CCOC1=O 764278709 UZEGOJCZMDWMGI-UHFFFAOYSA-N 444.400 0.522 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764298131 OJPOKEMZZUARQU-UHFFFAOYSA-N 425.493 0.650 50 20 ICGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 764427941 GMESZASPHCHMQB-MRXNPFEDSA-N 436.428 0.640 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)COCc1ccccc1 765620019 NZGJEGJRJPFBIU-UHFFFAOYSA-N 425.489 0.875 50 20 ICGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195987 VQYDXPIKSKXZJG-UHFFFAOYSA-N 443.847 0.609 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1-n1nnnc1C 773885663 NWZAOYJMQUKMMS-UHFFFAOYSA-N 427.396 0.827 50 20 ICGD CC(C)c1nccnc1NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 773999388 IRLXBLGNQIITCY-UHFFFAOYSA-N 439.520 0.998 50 20 ICGD CCOC1CC(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)(N2CCOCC2)C1 775150840 BTIUDKYDXKJLLJ-UHFFFAOYSA-N 431.493 0.537 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775707409 JPCKEWZZROFXAQ-XJKSGUPXSA-N 425.401 0.430 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N1CCN(C)CC1 788165856 HMSCMJBJLCONBC-CQSZACIVSA-N 447.558 0.214 50 20 ICGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 795349275 YQHNTLTXJXNYPI-UHFFFAOYSA-N 431.467 0.706 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1cccs1 795959770 TZCUZOCGIUQZAA-LBPRGKRZSA-N 426.495 0.651 50 20 ICGD Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 798310846 XCHWWVSUVRMMRS-CYBMUJFWSA-N 431.474 0.848 50 20 ICGD Cc1cc(C(F)(F)F)nn1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 811244446 RBWUNMNBYJBFCS-CYBMUJFWSA-N 442.350 0.741 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn2ccnc12 815563646 JSBIBGPYDWLFER-UHFFFAOYSA-N 449.515 0.941 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cccnc1OCc1ccccc1 815691825 CAESLTHTXDRFMU-HNNXBMFYSA-N 435.444 0.601 50 20 ICGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884023 PTOFQHGVQWJREM-KKUMJFAQSA-N 449.556 0.214 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 863999067 LLHRHTAYBQGGST-JOCHJYFZSA-N 438.440 0.615 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c2ccccc2c1=O 913587977 NVDDTRKRTWOYCG-UHFFFAOYSA-N 447.448 0.839 50 20 ICGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 915913229 JLLUSPHWCSILQU-UHFFFAOYSA-N 425.492 0.581 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1 918278022 QKNBLEYBOGGVLQ-UHFFFAOYSA-N 440.428 0.406 50 20 ICGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)s1 918725124 ALTWKIBSXWDTLS-UHFFFAOYSA-N 425.488 0.821 50 20 ICGD O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 921192353 GCLGYHCYEOZCNS-UHFFFAOYSA-N 443.435 0.882 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2N(C)C)cc1 1116039338 BPVLVCLXPLCPTL-IAGOWNOFSA-N 425.555 0.819 50 20 ICGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1117533359 ZLASMXWLPNDNPJ-RRFJBIMHSA-N 436.538 0.571 50 20 ICGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1cncn1-c1ccccc1 1332403934 WMRPUBHYKNRLEZ-UHFFFAOYSA-N 442.501 0.936 50 20 ICGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cc1 1357619021 DQYGOVSKSDNPBK-CYBMUJFWSA-N 428.470 0.969 50 20 ICGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1778054790 BSRSENKKOWSSQN-ORAYPTAESA-N 448.842 0.549 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779199455 NJAKWAQOECIOSI-KRWDZBQOSA-N 425.283 0.635 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1779326080 UWIGWZREAJBNBX-NXEZDXNNSA-N 432.949 0.462 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779411645 PIWJVVIMPDOTKN-LNKGRISISA-N 431.961 0.558 50 20 ICGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1779471407 ALXJLSZRTMDLQB-OUFKLWKOSA-N 441.891 0.643 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1780707479 SCGAHUYYSARTSB-OCBCSQNSSA-N 449.335 0.288 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934634 FTHFISLYZITNLY-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@H](O)CCl 1784089768 IFRITYXKPJLESW-GGXPGOJBSA-N 438.908 0.927 50 20 ICGD Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc(F)c1F 1785057238 TYIXJKFIKVNMOQ-QFIPXVFZSA-N 444.243 0.710 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cncn1-c1ccncc1 1785751210 SSYJGVUSLFDOSK-IKICRFKJSA-N 433.896 0.460 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1787508398 HYCZUZLQCBJTFZ-RQLFHFPYSA-N 444.448 0.108 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788778934 WHZMTWXISCKMDA-GVRJEKJASA-N 448.358 0.291 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1 1789868601 YMJWZMINHFDLDW-QVSPNBSASA-N 440.324 0.267 50 20 ICGD CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793106328 FJGHTGPLDCIIFX-YIDVYQOGSA-N 445.944 0.860 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COc2ccccc2O1)c1cccc(B(O)O)c1 1794092433 CNJIRHFNTAHDSP-BMQTXXJKSA-N 436.273 0.458 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794321264 SUZHOBZUSTWJPD-XRGAULLZSA-N 429.926 0.706 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CCC1)C2)c1ccc(B(O)O)cc1 1795736644 AWOUBCDSHDOTKA-HATOLVCRSA-N 448.328 0.692 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)c1ccccc1)C2 1797748597 LIBOMSNGXIDPRX-QXGSTGNESA-N 441.463 0.599 50 20 ICGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC1)C2)NC(=O)NCc1ccccc1 1799094679 DTKLILLSCUMYTQ-CEQLMSFQSA-N 443.548 0.722 50 20 ICGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1799264342 KHEDYLPTEBTUFS-APLFDDQLSA-N 438.912 0.600 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803142243 BTAZMXDHTSGATI-QILLFSRXSA-N 433.896 0.980 50 20 ICGD Cc1nocc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805822002 LUEBOZZSMSHCLV-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD Cc1nn(C)c(C)c1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806258166 DYMUKBLBCIKJIG-UHFFFAOYSA-N 438.337 0.875 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369896 YCFFFHJVBMHGGP-YLJYHZDGSA-N 447.256 0.557 50 20 ICGD CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CCO1 1807753302 LPSWJGVKLRDXFD-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)C3CCOCC3)C2)CC1 1809370859 WQSBTTZJZBKKFZ-UHFFFAOYSA-N 429.521 0.957 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1O2 1812886824 ACCPNJOHXUXVMR-OHLDOZIISA-N 449.316 0.649 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1813027691 FVUKVVVTSJHAMO-ZOBUZTSGSA-N 425.917 0.612 50 20 ICGD Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n[nH]1 1813073677 NTXYGVNSXSIPRX-OXJNMPFZSA-N 427.509 0.806 50 20 ICGD Cc1ncoc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355652 YCMIJOYEEKRCAV-CYBMUJFWSA-N 426.263 0.659 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cnccc3F)sc2C1)c1cccc(B(O)O)c1 1815964552 GBKUIDNYQWKMST-CYBMUJFWSA-N 440.265 0.897 50 20 ICGD Cn1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817471197 FWVOYTSUQFUHSX-GOSISDBHSA-N 436.281 0.372 50 20 ICGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474502 DVTPIBGVWVRNEX-HOCLYGCPSA-N 434.689 0.649 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474992 JKMZRKGIWAPDAX-GOSISDBHSA-N 427.314 0.784 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cnccn2)[nH]n1 1819401917 XFUBRUAQRXZQNV-QGZVFWFLSA-N 449.475 0.747 50 20 ICGD COC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819792988 FUUGJPBAJQWLHT-WDEREUQCSA-N 432.506 0.650 50 20 ICGD O=C1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827049166 ORHQWBYNNBXJPH-ICSRJNTNSA-N 441.337 0.126 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1827560592 WDKOLXSEJIWUSL-MOPGFXCFSA-N 444.341 0.047 50 20 ICGD O=C(c1ccc2ncccc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727828 HAQFJBYYFHTRBU-RXVVDRJESA-N 433.892 0.905 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736841 BEWNSGQLJHBTRH-HNAYVOBHSA-N 430.860 0.504 50 20 ICGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831896999 XNNFLHDMCWTOSH-QWHCGFSZSA-N 427.851 0.884 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)F)CC2)CC1 1834597877 XMQAMDOPIRCGQT-UHFFFAOYSA-N 435.491 0.883 50 20 ICGD Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1836067597 AQSLRGHCDDHYSJ-INIZCTEOSA-N 431.287 0.162 50 20 ICGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)s1 1836084711 PXCQGTRCAONZMS-BDJLRTHQSA-N 447.355 0.629 50 20 ICGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)c1 1838739519 WKFACMREJVPQJI-CZUORRHYSA-N 429.246 0.647 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373560 MSNKNXSYZHLKSX-BFUOFWGJSA-N 444.868 0.127 50 20 ICGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1839762244 DFVGXZRPWPKLGJ-KSSFIOAISA-N 432.901 0.040 50 20 ICGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840186328 JAXGZTFJLZQKEK-SFHVURJKSA-N 432.304 0.893 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840728693 RZUUQMMUAHXKQO-XLIONFOSSA-N 439.896 0.315 50 20 ICGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840885768 ATXZIZHISGIKIL-ACJLOTCBSA-N 449.342 0.816 50 20 ICGD COc1c(Cl)ccnc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011844 ZXKUOCGCCMSIGM-UHFFFAOYSA-N 429.669 0.554 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ncn(C(C)C)n1)C2 1843415960 IIADWRHNRDGQBA-OEAKJJBVSA-N 426.481 0.810 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nnc(C)c(O)n3)CC2)cc1 23309864 VSFUVCJFDSGOMW-UHFFFAOYSA-N 436.494 0.828 50 20 ICGD Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 105961142 SIVFLYIADCMUCG-UHFFFAOYSA-N 442.475 0.315 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726380217 ZDJFFMQUFOSZHG-UHFFFAOYSA-N 449.485 0.620 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)NCC(N)=O)c2)cc1 727065120 GKZNADCXZMPSTC-UHFFFAOYSA-N 437.503 0.090 50 20 ICGD COc1cccc2c1OC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2 728398541 GZPKDQKFFXMSAK-OAHLLOKOSA-N 448.501 0.893 50 20 ICGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)OCC(F)(F)F 732051660 YSPOXQHXUOHQJS-UHFFFAOYSA-N 431.415 0.635 50 20 ICGD CCN(C1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1)S(C)(=O)=O 733350139 OWVUHHFUWJYJFY-UHFFFAOYSA-N 434.522 0.973 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3nnc(O)c4ccccc34)ccc21 735647127 HKVYHKGLVWLLRR-UHFFFAOYSA-N 448.439 0.435 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)N1CCOCC1 743529868 YLDAANYECUAUIA-MRXNPFEDSA-N 427.527 0.783 50 20 ICGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744709577 SIXAUFWAXLWMKA-NSHDSACASA-N 436.471 0.291 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 745919001 PYQUNNQGLCYNDA-UKRRQHHQSA-N 430.465 0.722 50 20 ICGD NC(=O)COc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 745984707 XHBWCWUAMYFAMR-UHFFFAOYSA-N 446.485 0.336 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 746819307 QCVVTHHWMNPZFN-NSHDSACASA-N 445.544 0.991 50 20 ICGD O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NNC(=O)CNC(=O)c1cccs1 751208205 ALCNWWRPUIISSF-UHFFFAOYSA-N 429.458 0.391 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 756892719 RMNQCGMSKOQIPI-UHFFFAOYSA-N 433.490 0.945 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 756929923 MLJVOJCQDBHPKP-ZCFIWIBFSA-N 433.252 0.472 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1 763662288 GXZCSEMPWRVZGA-UHFFFAOYSA-N 433.417 0.886 50 20 ICGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763681772 QNSJWIJAUBJHGF-UHFFFAOYSA-N 427.396 0.664 50 20 ICGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1F 763802993 DNJUBQTUVAWUJY-UHFFFAOYSA-N 433.352 0.857 50 20 ICGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1ccc(OC(C)C)cc1 763819476 BRHVCKATEJVJDS-UHFFFAOYSA-N 437.460 0.949 50 20 ICGD O=C(NNC(=O)c1ccc[nH]1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 763978874 BXQLDNYHCCLRNI-QGZVFWFLSA-N 425.445 0.582 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 764003135 ZMDHGNJRZBRXMW-LLVKDONJSA-N 444.460 0.476 50 20 ICGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccc(OC)cc2)cc1 764125709 ACNFSWQRXYNSBD-UHFFFAOYSA-N 428.445 0.999 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1-n1nnnc1C 764152903 HSEDMVURVBKGHM-QGZVFWFLSA-N 437.416 0.069 50 20 ICGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)Cc2ccccn2)ccn1 764270870 VDAKFNKYIPEZMU-UHFFFAOYSA-N 448.439 0.957 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 764399848 MERYDVGRPXFCPA-CYBMUJFWSA-N 429.433 0.471 50 20 ICGD COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764425288 OKIPLCNRLHBSAT-GOSISDBHSA-N 447.419 0.915 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(=O)Nc2ccnn2Cc2cccc(C)c2)c1 764430181 GDUZDYTYVYCWJR-UHFFFAOYSA-N 435.444 0.993 50 20 ICGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2I)n[nH]1 765581344 MBCIFAQFVUAZCL-UHFFFAOYSA-N 427.202 0.514 50 20 ICGD Cc1ccc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 765732286 OUXQCFJNWBGPPM-UHFFFAOYSA-N 444.557 1.000 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Oc2cccc(Cl)c2)n(C)c1=O 766643043 JQSSILPGZJDTND-UHFFFAOYSA-N 448.867 0.092 50 20 ICGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 768073658 WVGJRMBEKAINNU-UHFFFAOYSA-N 437.500 0.793 50 20 ICGD CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 768238771 URVHFJUOCUMOPG-UHFFFAOYSA-N 427.392 0.564 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 770622701 UJAQXXKOWKYKKC-QGZVFWFLSA-N 425.445 0.618 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 773642785 BAVZLRFWIJSNCK-UHFFFAOYSA-N 437.434 0.601 50 20 ICGD O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 774867464 ZVGLVEAZXWAJDX-UHFFFAOYSA-N 440.368 0.866 50 20 ICGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 780971559 NYMIQUBFQGLLOH-UHFFFAOYSA-N 430.483 0.544 50 20 ICGD Cn1cc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 780991283 LMADOGGAICPALO-UHFFFAOYSA-N 431.316 0.261 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CBr)CC2)cc1 782401524 HHKSSIHUUXKKEI-UHFFFAOYSA-N 440.341 0.667 50 20 ICGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 782701767 JWNWQFGIFSWHFH-UHFFFAOYSA-N 434.456 0.505 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CCS(=O)(=O)C1 783425152 BJWJBKAKONPFKB-HXUWFJFHSA-N 431.518 0.961 50 20 ICGD CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783428709 WRVIVMJBZHGVSF-QGZVFWFLSA-N 433.914 0.892 50 20 ICGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 785066681 GGBGRDZNMMYDAS-UHFFFAOYSA-N 435.488 0.415 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)N3CCN(C)CC3)C2)s1 788165661 FIZXOKRWVLHJGF-AWEZNQCLSA-N 429.568 0.445 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(Br)cc1N1CCOCC1 788713941 MRDHNCBGHQOXLG-NSHDSACASA-N 433.328 0.674 50 20 ICGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)n[nH]c1C 794598211 CPTAKAFPQGANHD-UHFFFAOYSA-N 439.450 0.131 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCc3ccc(Br)cc32)c(=O)n(C)c1=O 800810755 ZCNWIPLYZDFLSE-UHFFFAOYSA-N 438.307 0.800 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2Oc2ccncc2)n(C)c1=O 801171388 DPKFAENOYMEGTL-UHFFFAOYSA-N 449.427 0.082 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1F 806972955 TXTSRXGFJGKGRY-UHFFFAOYSA-N 428.829 0.787 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNc3ncncc3Cl)c3ccccc32)N1 806990180 AXDCOPFAHNOYEN-VXGBXAGGSA-N 430.852 0.609 50 20 ICGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNc3cncc(Cl)n3)c3ccccc32)N1 806998262 UCHHQHJYGBQBGJ-VXGBXAGGSA-N 430.852 0.609 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 815564837 URHSHFQNKSYEEW-UHFFFAOYSA-N 431.449 0.669 50 20 ICGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815752055 ZYHCEIYEASOSAW-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CSCC(=O)N2CCCCC2)ccc1Cl 892687317 JIMAIGNWBPJJHN-UHFFFAOYSA-N 448.954 0.494 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 913457905 STDKQRBCAFRHAM-UHFFFAOYSA-N 428.264 0.937 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NC[C@H]1CCS(=O)(=O)C1 914536707 GQXBAXHACFXFLA-WDEREUQCSA-N 434.312 0.982 50 20 ICGD COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915802617 PLEFGZBKNJDSLV-UHFFFAOYSA-N 447.469 0.569 50 20 ICGD COC(=O)c1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 916248926 SBYLLWPBMCRHCT-UHFFFAOYSA-N 448.501 0.910 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 919961197 WGUWWUFSXNEUST-LBPRGKRZSA-N 427.504 0.918 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC(=O)NC2CC2)cc1 920850014 WUQCKMHRRNTLMW-XNTDXEJSSA-N 436.472 0.736 50 20 ICGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)NCC1CC1 920860284 YWYLIAGDGDWWIU-KRWDZBQOSA-N 440.522 0.891 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc(OC)c1OC 1253478428 GWZRAGITFIZLAY-GFCCVEGCSA-N 426.451 0.494 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 1317696532 WUINZLVMRZNVBU-UHFFFAOYSA-N 426.472 0.925 50 20 ICGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)CC2 1319087120 VAXPNMQCAFGCNO-LBPRGKRZSA-N 434.453 0.409 50 20 ICGD Cn1c(=O)cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 1324050567 RFKXNWBPBVTCKE-UHFFFAOYSA-N 447.495 0.758 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 1328575854 MNUVJQAURWAEGO-AJHHTPGJSA-N 449.577 0.792 50 20 ICGD Cc1ccnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c1 1778175613 RMLVFYYNSZVNAB-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778380271 KBLGZBLRPDFOOJ-JLTOFOAXSA-N 437.928 0.868 50 20 ICGD C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028944 LFJSWXRTDFOTDU-OAQYLSRUSA-N 431.493 0.111 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779297163 UDSDOJLBNDYMES-LPHOPBHVSA-N 444.557 0.163 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1)n1cnnn1 1780777664 XACDPHHXRCUBOD-RTWAVKEYSA-N 433.282 0.439 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783344936 WVYDDRKBTGMDPU-BBRMVZONSA-N 444.286 0.795 50 20 ICGD Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933743 GPPVYBAVQBNIJO-JOCHJYFZSA-N 432.521 0.577 50 20 ICGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)cnc2c1 1784093486 XJPCNZQCRGBRCD-LLLHUVSDSA-N 448.907 0.196 50 20 ICGD CC1=CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1788100633 GNLBVPWPVDDZEA-LGYWMIHWSA-N 426.322 0.706 50 20 ICGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CC1 1789922903 UEKLFXXUJVJHAL-JKQORVJESA-N 449.365 0.294 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1790964192 UBZFBYHYJUDJKM-PCBYGDGMSA-N 449.342 0.755 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1792675787 BDQLRXLMXBZHAF-CWPLJXCYSA-N 442.252 0.031 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1792871378 XEJTWTHWNJYATH-JFILPPLUSA-N 441.326 0.900 50 20 ICGD CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)CBr)CC1 1792871909 CSCFEJZGUGCCSH-YIYPIFLZSA-N 431.327 0.950 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792981862 XZCVOXAFNASBEP-LXTVHRRPSA-N 431.917 0.043 50 20 ICGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)cn1 1794340058 YCYFAZCECURPJR-OHTBPHCPSA-N 427.299 0.862 50 20 ICGD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794596663 DHEPFYDEWOWILI-CCWDJLKJSA-N 438.488 0.160 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC1CCCC1)C2)c1cccc(B(O)O)c1 1795737726 NJILQSGGADECKD-CWPLJXCYSA-N 432.351 0.245 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184784 DDKQDGPHQIUJJJ-WMEBDMIVSA-N 427.292 0.906 50 20 ICGD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nc2nccn12 1796189519 XSKTTWJVBXITJY-BCDXTJNWSA-N 433.277 0.283 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2cccnc12 1796807092 OUXCZFOVOZEYLV-RMFSNUHRSA-N 445.284 0.432 50 20 ICGD CC[S@@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891770 KLLOJRCOPYRQSL-HFMZHSJMSA-N 435.550 0.917 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2)[C@@H](F)Br 1799346088 BAXXVCLIIBBXSM-INTNWOOBSA-N 426.246 0.852 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCC1(F)F)C2 1801010824 XIELKAYXBGASPU-BASYENTBSA-N 430.496 0.775 50 20 ICGD C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012570 QLRJKXQYXDBTJG-PZTGFMGMSA-N 432.521 0.417 50 20 ICGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802248410 SINTZCPRWBIBCH-ADHGMGHFSA-N 434.537 0.753 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1COc3ccccc3O1)C2 1802333087 MBKIQYKANSQDQZ-YYAJDYIMSA-N 430.505 0.838 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803649973 HDESELBCMWBYAD-GHYVTOPFSA-N 425.283 0.979 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366396 YXCPIMQHPDSGNI-PKOBYXMFSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H]1CC1(F)F 1809526158 YHUGTKQVNVNKTE-JQHSSLGASA-N 429.232 0.736 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cn4cccnc4n3)CC2)C1 1809978663 JCNAYCPAAYTMIV-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD O=C(CNC(=O)c1ccco1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1815648400 XBFRWXFHMCBJKL-ONGXEEELSA-N 426.882 0.678 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)C1CCOCC1 1817010231 WNOPSXWRSYTRQL-GOSISDBHSA-N 426.282 0.822 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)cs1 1817471075 DLHRGWYKQJWEQI-HNNXBMFYSA-N 440.294 0.748 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncnc2)[nH]n1 1819402198 UFHLPKRKIVYFAF-MRXNPFEDSA-N 435.448 0.818 50 20 ICGD C[C@H](CBr)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662695 VBYQTVLNBUYROT-SFYZADRCSA-N 428.312 0.962 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1820162876 UJDVIWDPJQJCMM-GHMZBOCLSA-N 427.603 0.499 50 20 ICGD Cc1nccn1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821733419 JUYLJHISNRFUGD-INIZCTEOSA-N 430.513 0.980 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829799101 BZDDKQWPZMSAJT-KDOFPFPSSA-N 429.926 0.694 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1830369861 CSIFITXQBZEBHI-INIZCTEOSA-N 443.850 0.386 50 20 ICGD CC(C)c1csc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725532 PMWXKJSVDOCCOJ-KDOFPFPSSA-N 431.942 0.936 50 20 ICGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832204008 BSDGHVCWENRSNE-FUHWJXTLSA-N 425.848 0.422 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833202982 GRKWCJXPFVKRRI-RLFYNMQTSA-N 443.342 0.759 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833582526 IRIMXKWLJFTJCE-KXBFYZLASA-N 428.917 0.308 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836845 GCYVCCGDCRTMFK-BZNIZROVSA-N 429.271 0.036 50 20 ICGD CCOCC(=O)NC1CCN(C2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1834480331 YKMPCGLPFNRSAI-PCLIKHOPSA-N 446.552 0.729 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1834822414 MEFJITMJYITSJB-SFHVURJKSA-N 432.359 0.714 50 20 ICGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)[C@H]1SC(=N)NC1=O 1835079646 KNAWSMPVOKSURB-ZLKJLUDKSA-N 447.964 0.895 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1837713378 ZUKJLYPLILDBKA-FQEVSTJZSA-N 447.568 0.651 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839962025 QQUYLDFRTGBSDE-CRAIPNDOSA-N 441.326 0.649 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Br)CC)CCO2)C1 1839965234 RDOZOCSXOGYPER-HBUWYVDXSA-N 446.342 0.307 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840030955 BHWCZCNDWLNUHH-GUYCJALGSA-N 428.283 0.173 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034075 ZUKIWZVVELQGAD-CCLKGCNTSA-N 439.372 0.385 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1840669594 FILAZWDLCOVIOD-JOCHJYFZSA-N 448.520 0.144 50 20 ICGD C[C@@H](NNc1ccccc1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841064967 CWJFYRWFPJOELE-OAHLLOKOSA-N 437.504 0.507 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2cccc(C(F)(F)F)n2)C1 1842034020 FUQSEEPHSCWIDW-UHFFFAOYSA-N 447.222 0.840 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1OC 104514569 IWKCOUHGWHPMEN-UHFFFAOYSA-N 426.389 0.298 50 20 ICGD NC(=O)[C@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 727462803 YOKUVSPNSMKGGY-QGZVFWFLSA-N 436.465 0.308 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2csc(-c3nc[nH]n3)n2)c1 727765144 IPQHKNZMXJSTQV-UHFFFAOYSA-N 435.491 0.182 50 20 ICGD COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N1CCCC1 728177292 YOZZVWOABIGXIS-OAHLLOKOSA-N 445.563 0.586 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(C#N)n1C 728322384 SCFUMNOQOIHVFR-ZSTKBLHXSA-N 449.423 0.643 50 20 ICGD O=C(NNC(=O)c1occc1CN1C(=O)Cc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 728517789 LBFOFECQAKAQPN-CQSZACIVSA-N 432.458 0.500 50 20 ICGD O=C(Cn1cccnc1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298557 MLWOYOKHZTVFBW-UHFFFAOYSA-N 430.424 0.463 50 20 ICGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1O 733121046 IQHHURRDZAEOPC-UHFFFAOYSA-N 425.488 0.800 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn(C)c3)CC2)cc1 735446094 WBCXVSDEMNAPKU-UHFFFAOYSA-N 433.490 0.485 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 735469795 ZVUDSDYEXUUVFC-AWEZNQCLSA-N 440.503 0.165 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NNC(=O)c3cnn(C)c3)cc2)C1 735509604 CVTZGCKZCNMRDI-CQSZACIVSA-N 434.522 0.985 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CCN(CC2CC2)C1 739035285 LZBMVMLOOXNHJO-KRWDZBQOSA-N 435.550 0.899 50 20 ICGD CN(C)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 745813274 ACPSDESEDPXQMQ-INIZCTEOSA-N 442.542 0.577 50 20 ICGD N#Cc1c[nH]c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 748284385 BIZCEQNZUIZZCO-UHFFFAOYSA-N 431.474 0.301 50 20 ICGD N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 752411361 MULVHSCSJLHSBS-QMJOVRGKSA-N 434.493 0.180 50 20 ICGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1Br 756156053 ZYOZDAXDYUSPPV-UHFFFAOYSA-N 435.234 0.959 50 20 ICGD Cn1ccc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 756293365 HEASYJQCTLYQJI-UHFFFAOYSA-N 436.494 0.227 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)c1cccnc1 763491840 QDKPNBRCDSRVND-UHFFFAOYSA-N 445.501 0.964 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2c[nH]c3ccccc23)c1 763534932 MRAHKRBNTKPODE-UHFFFAOYSA-N 429.458 0.784 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 763712386 GAZCRMCHKIIJIJ-UHFFFAOYSA-N 447.455 0.925 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)cc1 763861533 QNJMVYOLVNBHJC-GFCCVEGCSA-N 444.444 0.746 50 20 ICGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)c1cc(Cl)ccc1O 763974823 YLIVPYWYOGNKHA-UHFFFAOYSA-N 433.852 0.985 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 764344486 DOGPONOYEFIBBT-UHFFFAOYSA-N 447.407 0.662 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764352888 DNAJKZLQTMMFRM-UHFFFAOYSA-N 427.461 0.657 50 20 ICGD O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NNC(=O)C(=O)NC1CC1 764609145 RENGIRKRQBGRKW-UHFFFAOYSA-N 437.485 0.847 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCc3c(C)nc(O)nc3O)CC2)cc1 765747167 DGEPFVAOPMUBRS-UHFFFAOYSA-N 442.520 0.402 50 20 ICGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)c3ccccc3)CC2)cn1C 765771337 QHBSYAIYZDUVPB-UHFFFAOYSA-N 448.549 0.753 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cc(C)[nH]n3)nnc12 768278750 UKUZUFQDNSWWCS-UHFFFAOYSA-N 438.473 0.815 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768630260 VWNWGZUIEDGCAL-WVATUKLVSA-N 437.474 0.094 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 769059519 JLUBMCKFLZGMIR-MRXNPFEDSA-N 445.480 0.839 50 20 ICGD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770355342 LFHKSGUGQBXAFP-UHFFFAOYSA-N 448.509 0.723 50 20 ICGD O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)CBr)CC1 777777960 URRLFTSZULTSKB-MRXNPFEDSA-N 446.367 0.714 50 20 ICGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(C(C)C)nc21 778441662 NHSSSWRCXDXHFF-UHFFFAOYSA-N 448.480 0.926 50 20 ICGD COc1cccc(Cn2nccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1OC 779461447 JCXNZLNQIFHJQZ-NSHDSACASA-N 440.482 0.039 50 20 ICGD CCNC(=O)c1cccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 784213994 SDKMHEHLYWMDTG-UHFFFAOYSA-N 445.501 0.959 50 20 ICGD COc1ccc2nc(NNC(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)c(C)cc2c1 785164051 MOVHUHFGDDRYQO-UHFFFAOYSA-N 425.449 0.918 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 785717879 NUHXPQRKBFXBMS-MOPGFXCFSA-N 443.500 0.669 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 793493196 IYXUDVXNQYLROE-FQEVSTJZSA-N 440.460 0.249 50 20 ICGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)c1C 796999614 RUSJKDXXELIGLP-UHFFFAOYSA-N 438.238 0.527 50 20 ICGD Cc1c(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc(Br)cc1[N+](=O)[O-] 797537274 GKSCIOJUTOSRKA-AWEZNQCLSA-N 449.283 0.802 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)oc2C)c2ccccc2c1=O 798317314 ZBIQXKUIWWZTOQ-UHFFFAOYSA-N 433.446 0.430 50 20 ICGD C[C@]1(CNS(=O)(=O)CBr)CCN(S(=O)(=O)CBr)C1 799821099 BZWFOQKZAFVABR-MRVPVSSYSA-N 428.168 0.652 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 800596589 NZZKMHCLKCSJRG-UHFFFAOYSA-N 429.433 0.646 50 20 ICGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 800983694 RTMMTOKVWZBVRQ-SFHVURJKSA-N 448.487 0.840 50 20 ICGD O=C(COC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 808593310 CFGPODGTEHOEFM-WBAXXEDZSA-N 440.408 0.821 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1c(C)noc1C 810792716 ROUCTBGGEZZKIG-UHFFFAOYSA-N 428.492 0.518 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 812732442 HCGLQTCILZGGMJ-IBGZPJMESA-N 431.474 0.748 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)ccc1F 813033486 VUXUKKIUTVGBEA-UHFFFAOYSA-N 438.437 0.944 50 20 ICGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl 814646932 YGRLTKMFQGGFAV-SECBINFHSA-N 427.874 0.718 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 913431592 VVZRXCZUEXIJQF-UHFFFAOYSA-N 432.502 0.889 50 20 ICGD C=CCNC(=S)NNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 913435564 BGGUHJUVFGBKMI-UHFFFAOYSA-N 448.574 0.837 50 20 ICGD COCc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 916424836 CGENELHTOMYQOH-UHFFFAOYSA-N 448.549 0.990 50 20 ICGD CCCn1nc(C(=O)NNC(=O)c2cnc3nc(O)nc(O)c3c2)c2ccccc2c1=O 916728293 OLMNVYYDSKIAHE-UHFFFAOYSA-N 435.400 0.631 50 20 ICGD CSC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916830407 VYLVKHDCPLOPFI-XHSDSOJGSA-N 446.529 0.988 50 20 ICGD O=C(COc1ccc(Br)cc1Cl)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883904 GKQAXMDPMRPNJC-SECBINFHSA-N 440.703 0.999 50 20 ICGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885546 LLAAULNZNNUNOB-ZIAGYGMSSA-N 428.536 0.056 50 20 ICGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 1319987247 YWVSMRBISCFTHW-CYBMUJFWSA-N 431.449 0.283 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)C1 1779476041 CCPRDAJNILFTMU-HXUWFJFHSA-N 429.669 0.172 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782604864 GPEFPUCXINZUCR-MDKPJZGXSA-N 434.924 0.836 50 20 ICGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937757 OCXKNVCHKFDAFA-KKSFZXQISA-N 433.509 0.052 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)cc3)[C@H]2C1 1786539335 LDCNZGKHJCCWIU-WDSOQIARSA-N 434.512 0.721 50 20 ICGD COc1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984843 PLKHIZZDBXLIFG-LRQRDZAKSA-N 438.289 0.282 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc2snnc2c1 1789203925 YLFKIDZTKFYDLU-RETIQXCHSA-N 425.898 0.279 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3[C@H]4SC=C[C@H]43)[C@H]2C1 1790627563 MKJJBFDPVJMRSP-OKKOPOJRSA-N 443.529 0.154 50 20 ICGD COc1ccc(OC)c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792976660 INUDXRXXNGOMFP-MQJTVSLUSA-N 440.924 0.826 50 20 ICGD Cc1cccc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)[nH]c12 1795734132 DWZGCVIOOYWYCG-OPMZPASUSA-N 447.300 0.673 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796739935 QHOAPZCKNGZIPV-AICCOOGYSA-N 433.933 0.764 50 20 ICGD CCOc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799014138 LQEHJHJBTPUUAB-RMFSNUHRSA-N 438.289 0.282 50 20 ICGD CC(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095106 UGKQPVSIABGHQT-OPVJXMOQSA-N 431.537 0.578 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)C1 1799199234 JMXOAILFTFYOSH-DXUDUQDWSA-N 449.907 0.338 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799276525 MRUBSOFJLJCQNR-MSNRECKUSA-N 444.319 0.125 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2)[C@@H](F)Br 1799347212 NBMKVETWHQMIJL-ANGCBRKESA-N 431.262 0.395 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-n1nccn1)C2 1800977445 PAJIBHCVHZHGKJ-CXHZTBPHSA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(F)cc13)C2 1801011390 JPLLIOWAWSLDGB-DBWKPXFBSA-N 446.483 0.278 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC2(CC1)OCCO2 1801505231 GUWAPAKBSUTSCL-BCDXTJNWSA-N 436.553 0.931 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1802338688 NQOFQHZHVLJVEG-QDMKHBRRSA-N 433.465 0.925 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cocn2)[C@@H]1c1cccnc1 1806016991 IQAMJIGCZUSEJC-KDOFPFPSSA-N 435.444 0.702 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2nccs2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365830 WMMMACDTHDMMFI-AEFFLSMTSA-N 436.302 0.851 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2cnoc2)[C@H]1c1cccnc1 1808524461 KVMUQEMGUQJHRC-RDTXWAMCSA-N 435.444 0.702 50 20 ICGD O=C(Cn1ccccc1=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810029696 INVFQDDJLHWMPO-UHFFFAOYSA-N 437.305 0.073 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812352670 CXILGCYRBOKEGE-VCBZYWHSSA-N 449.895 0.916 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H]1CCCCO1 1814504517 RWBKXZAOLSEBOS-QZTJIDSGSA-N 426.282 0.965 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)cco1)CC2)c1ccc(B(O)O)cc1 1815339547 GPDUXHXMRPHCOH-CYBMUJFWSA-N 439.258 0.316 50 20 ICGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1 1815671416 RBPIQXDXMBZXLD-SWLSCSKDSA-N 435.909 0.667 50 20 ICGD Cc1nnsc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817599515 HOPBOUZYOYXNAT-GFCCVEGCSA-N 443.319 0.522 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1cnc[nH]1)CC2 1819797711 YLDZEHKSZYEFQG-SNVBAGLBSA-N 440.489 0.333 50 20 ICGD O=C(/C=C/c1cnccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822870833 DPGFMTYSOGLLFA-UCFODXPJSA-N 446.276 0.899 50 20 ICGD C[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825641518 IJRPFKAPNILELG-CIUDSAMLSA-N 432.344 0.431 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(N)s1)CC2 1826085312 LNKZQDRKCHUQGS-VIFPVBQESA-N 437.551 0.781 50 20 ICGD O=C(c1cc(CO)on1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052605 RJNJTVCCDFPVRZ-HXUWFJFHSA-N 441.293 0.394 50 20 ICGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](F)Cl)C2)C1 1828963308 ZAXZNOFUYJZYRL-APWZRJJASA-N 426.876 0.932 50 20 ICGD Cc1n[nH]cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830543604 WBSZPFOGUXYRHA-YVEFUNNKSA-N 429.315 0.819 50 20 ICGD CC(C)c1csc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725537 PMWXKJSVDOCCOJ-RDTXWAMCSA-N 431.942 0.936 50 20 ICGD O=C(c1c(F)ccnc1Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833246511 IIXREIXLZUHMDQ-SJKOYZFVSA-N 436.267 0.544 50 20 ICGD CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833490801 ZNVSGUCBYLPATE-HXUWFJFHSA-N 447.410 0.506 50 20 ICGD CC(C)c1nc(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)no1 1833782605 WBWHAAHAYMHCJT-MRXNPFEDSA-N 441.960 0.907 50 20 ICGD N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)c1ccccn1 1834822427 NDZREEQSYIQPSA-SJLPKXTDSA-N 441.326 0.323 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(C)C 1834823267 LWKUPHKESYHOHI-SJLPKXTDSA-N 449.342 0.816 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418875 CQAMQZVBKSUACB-ROUUACIJSA-N 448.303 0.799 50 20 ICGD CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1838395558 ARZBRLXHZOOHRC-MRXNPFEDSA-N 449.017 0.723 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)c(O)n1 1838672048 CAUKMXUXLQHYLI-GUYCJALGSA-N 446.273 0.856 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838701831 UHUAGICEMHKQGA-LIRRHRJNSA-N 428.917 0.857 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839119466 GGCBKKIOCKYHQM-QGTPRVQTSA-N 432.359 0.616 50 20 ICGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)cc1O 1839151540 VTLMYPSCHPJSBC-DLBZAZTESA-N 435.308 0.432 50 20 ICGD CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839679533 ILIRZJGYSZMXHX-QKLQHJQFSA-N 433.977 0.675 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840149344 MDWKGKYHXXCRQN-NQIIRXRSSA-N 435.908 0.811 50 20 ICGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1ccccc1=O 1840188485 MQFDPJFKFXBFAT-ACJLOTCBSA-N 432.304 0.669 50 20 ICGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190997 ZDQBDFAATLQCMI-GOSISDBHSA-N 433.336 0.840 50 20 ICGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840366714 XZUZKQDMJLOMCL-XIKOKIGWSA-N 431.320 0.775 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840427667 NHYMSYFEHSSLBI-FTRWYGJKSA-N 441.912 0.559 50 20 ICGD CCc1cc(C(=O)N2CC3(CCCN3C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)n(C)n1 1843416143 FQGBZCHCUUSQIF-OEAKJJBVSA-N 425.493 0.934 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1CCN(c3ccccn3)CC1)C2 1846385558 UFCJVZUCZYDFLQ-UHFFFAOYSA-N 442.564 0.874 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CBr)C2 1846559935 GZLVUHNKDIMRRM-SWLSCSKDSA-N 440.342 0.691 50 20 ICGD CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1847007279 GQQHNLCSOCFZFP-IAGOWNOFSA-N 425.888 0.676 50 20 ICGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847566836 CVXDWBACVXPHIR-WBAXXEDZSA-N 445.325 0.343 50 20 ICGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 10159964 DVLQNFAEBAYJBL-UHFFFAOYSA-N 431.430 0.309 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)cc1 12616238 QBHFKNVJXAMZNU-UHFFFAOYSA-N 428.470 0.918 50 20 ICGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1cccc(S(=O)(=O)N2CCCC2)c1 15633413 YGICDSVRDXETEU-UHFFFAOYSA-N 449.514 0.208 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCNC(N)=O)c2)c(C)c1 725898953 QNVNLLXHQPWALI-UHFFFAOYSA-N 433.490 0.924 50 20 ICGD COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 727100351 QXTWEPSCROIKAD-AEFFLSMTSA-N 445.497 0.748 50 20 ICGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 727947274 BJNDYNIFWOTNFZ-UHFFFAOYSA-N 443.489 0.360 50 20 ICGD CSC[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 730780209 KKRADYJCHSSLDX-HZSPNIEDSA-N 435.502 0.825 50 20 ICGD CCOCCCn1c(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)nc2ccccc2c1=O 733269093 YSWPXLDIXXHJII-INIZCTEOSA-N 437.522 0.690 50 20 ICGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733350282 UCRQNVPWRDQIGR-UHFFFAOYSA-N 449.537 0.431 50 20 ICGD Cc1cc(S(N)(=O)=O)sc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 743830401 DNHVLWAUCDOGOD-UHFFFAOYSA-N 432.505 0.574 50 20 ICGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 744896044 DMDVMWKKWPEVLT-QGZVFWFLSA-N 449.508 0.710 50 20 ICGD Cc1ccc(F)c(NC(=S)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 745205017 SUAPQOBTCIYLLU-NSHDSACASA-N 441.510 0.617 50 20 ICGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)C2=O)n(C)n1 745906752 UGZZBIZGBHCRPR-CQSZACIVSA-N 438.448 0.369 50 20 ICGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 746545139 HLHHNNLREMLJOR-UHFFFAOYSA-N 443.485 0.359 50 20 ICGD O=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 748132308 JPBUSDQRGOJOPW-UHFFFAOYSA-N 447.425 0.906 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)N1CCCC1 748241369 YHPKZHPLLXHNNK-ZDUSSCGKSA-N 438.431 0.910 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)o1 748639826 ITLTUVBSWZYDBA-UHFFFAOYSA-N 430.464 0.373 50 20 ICGD COc1cccc(/C=C(\C(=O)NNC(=O)CNC(=O)c2ccco2)n2nnnc2C)c1 751201416 JIIZEUSIFRZPPJ-XNTDXEJSSA-N 425.405 0.159 50 20 ICGD CN(CC(=O)NNC(=O)COc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 753563677 MNBJDACZAAVZID-GFCCVEGCSA-N 434.312 0.094 50 20 ICGD NC(=O)c1cccc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 755490380 OPOLPEUEEVSRBD-UHFFFAOYSA-N 444.513 0.889 50 20 ICGD Cc1nnnn1-c1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 755756717 PTGOKHTVMABOQZ-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cccc(Br)c2)CC1 755976401 XSPXWWBUPSBHAH-UHFFFAOYSA-N 435.300 0.702 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 757674349 FQSOQSLJRFVANK-UHFFFAOYSA-N 433.425 0.813 50 20 ICGD Cc1cc(=NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc[nH]1 757808187 REJCSGNMWHMCOD-UHFFFAOYSA-N 447.517 0.618 50 20 ICGD CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758511647 DBJRHPRTBAMGPJ-CQSZACIVSA-N 426.377 0.606 50 20 ICGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c1 761063419 JECCCRYJBKXWMK-HNNXBMFYSA-N 432.477 0.986 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)Cn2cc([C@@H](C)O)nn2)c2ccccc2c1=O 762965397 XESUVFHXGWWXBA-CYBMUJFWSA-N 427.465 0.693 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c2ccccc2c1=O 763280191 BPDRMEVTAJFWRN-UHFFFAOYSA-N 430.446 0.095 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)cc1 763675420 VZQTUVMZQAHCSA-UHFFFAOYSA-N 437.456 0.555 50 20 ICGD C[C@@H]1CN(Cc2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2)C[C@@H](C)O1 763821155 SXKGTEPYXPCFNJ-HZPDHXFCSA-N 425.489 0.882 50 20 ICGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763839344 KBFKNACJVYTCED-UHFFFAOYSA-N 437.449 0.844 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1-n1cnnn1 763998821 UBMKEXWAWICVIM-UHFFFAOYSA-N 433.226 0.461 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1 764108295 GHIZZYYUOBQKOD-UHFFFAOYSA-N 446.485 0.885 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 764135992 LAPHKOYDDJYXFV-UHFFFAOYSA-N 434.474 0.704 50 20 ICGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)cc1 764176236 DFNGAUFAUCHYAQ-UHFFFAOYSA-N 441.469 0.764 50 20 ICGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 764318803 YKGYLZDFPXHATQ-UHFFFAOYSA-N 439.494 0.060 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 764388472 SMAZPESHKVGVLI-OAHLLOKOSA-N 441.423 0.991 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 764399860 MSMFBLVDKCEUJU-GFCCVEGCSA-N 440.884 0.713 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC3CCOCC3)CC2)cc1 765730257 WKTMILIRLFDZOX-UHFFFAOYSA-N 438.550 0.265 50 20 ICGD O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766648937 YQDUOOYEQGMNKL-UHFFFAOYSA-N 434.452 0.372 50 20 ICGD CCOc1ccnc(N2CCCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)n1 767910888 CWYZXKPTUVYRAX-UHFFFAOYSA-N 433.538 0.542 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 768502575 DFPZEYRYPZDKTL-UHFFFAOYSA-N 448.299 0.645 50 20 ICGD COc1cc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)ccc1OCC(=O)N(C)C 770347818 VOEXWIQPNUGCEM-UHFFFAOYSA-N 444.452 0.371 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 771443054 HHEPZLRQIRSGBO-DNVCBOLYSA-N 440.522 0.284 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 773645360 ZIKHBSOFCZXRGI-UHFFFAOYSA-N 429.389 0.508 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778433526 NUSBCVLWQAFVLP-UHFFFAOYSA-N 426.495 0.721 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)nn1-c1ccccc1Cl 783425168 BRVOSYOPOYUXEQ-KRWDZBQOSA-N 425.898 0.971 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCS(=O)(=O)C1 783425819 DPKQBVHOTWCHPQ-HXUWFJFHSA-N 438.550 0.688 50 20 ICGD CN(C)c1ncc(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cn1 784834261 ZUPXGMAWTRAOEY-UHFFFAOYSA-N 435.510 0.701 50 20 ICGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c[nH]c2ccccc12 785182618 OLXZAIMHUBDCBB-GFCCVEGCSA-N 437.460 0.256 50 20 ICGD COCCOc1ncccc1NC(=O)C(=O)NNc1c(OC)cccc1S(C)(=O)=O 785331624 XFUBOOQWGOYENT-UHFFFAOYSA-N 438.462 0.601 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 788166320 LDQIOCNVAZXDDE-UHFFFAOYSA-N 437.547 0.828 50 20 ICGD CN(C)Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 790738244 FPHMJTUVDPGAKI-UHFFFAOYSA-N 446.529 0.844 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2cc(C)cc(C)c2)[C@H](C)O)cc1 791662426 HLNBMCOMOIXURR-JXFKEZNVSA-N 449.529 0.866 50 20 ICGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)COc1ccccc1F 792017320 GJLYDQWDXSDVBL-QGZVFWFLSA-N 431.342 0.984 50 20 ICGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794069913 MSNMGBDMLIRBIV-UHFFFAOYSA-N 446.485 0.838 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1C 798310985 ZLBCDBJQUBKSTC-UHFFFAOYSA-N 429.458 0.754 50 20 ICGD C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857124 QORKBVRFFQTCBM-GFCCVEGCSA-N 444.477 0.357 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 805769776 VDAZJDXMRAGKNH-LBPRGKRZSA-N 426.417 0.390 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc2[nH]ccc12 808938855 GCEPJQSOSYQRHD-UHFFFAOYSA-N 434.412 0.931 50 20 ICGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 809558290 XYIYKNZXNLQFAB-QGZVFWFLSA-N 444.513 0.985 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1-n1nnnc1C1CC1 814662817 OGBNAJAYQUPZQE-LBPRGKRZSA-N 438.452 0.555 50 20 ICGD CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815690955 ATCZBIMMIVTCPQ-CQSZACIVSA-N 442.476 0.511 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCNS(=O)(=O)c1cccnc1 817055056 KBNVGENUOUZSPR-UHFFFAOYSA-N 427.508 0.144 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1ncncc1F 817082328 UEFGNJBKLXTZRC-UHFFFAOYSA-N 436.469 0.372 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 849207337 COOYUSYDSXXAJJ-AWEZNQCLSA-N 445.428 0.650 50 20 ICGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CN1 916105419 YSSHBMLQVHBEDG-INIZCTEOSA-N 430.486 0.452 50 20 ICGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1OC 918758493 WYCSIKFJWGSELB-UHFFFAOYSA-N 433.446 0.320 50 20 ICGD Cc1ncccc1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1117103215 VPCNMJNYFITXIH-UHFFFAOYSA-N 446.529 0.734 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC2CCN(Cc3ccncc3)CC2)c2ccccc2c1=O 1317941122 YSJHHUFLUSPOAX-UHFFFAOYSA-N 435.488 0.937 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 1318558237 OHVDXTLDLNCKRF-OTRWWLKZSA-N 446.504 0.588 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879484 GLYCUEJOJHRRPJ-PIGZYNQJSA-N 440.298 0.193 50 20 ICGD CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)CC2)CC1 1781334006 LISMGVHLRDJVDV-PBHICJAKSA-N 447.349 0.287 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 1781582831 OBNIWFGNEFQQBY-NRFANRHFSA-N 448.206 0.541 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1782001314 DEVGNWVUGDTIJS-CKEIUWERSA-N 428.331 0.966 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)OC)C2 1782172047 MCWZUFZHZVANKA-HBUWYVDXSA-N 436.958 0.660 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783874941 ILSNIUBYKJRLHH-UMGZNDIESA-N 439.900 0.204 50 20 ICGD O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786603940 QNYSPNJMZMPFHF-FPXQBCRKSA-N 438.908 0.927 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(C(F)F)no1 1787140013 BQPARSDIPOTGHM-JDFRZJQESA-N 449.219 0.199 50 20 ICGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432642 WGHBXIRYCCFMQW-SYEHKZFSSA-N 443.298 0.655 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1n[nH]c2ccccc12 1788332612 MQCZZDZQIUFQCY-QSFXBCCZSA-N 448.288 0.150 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@@H]21 1788610491 VWJZQKXQXLTRCY-JVPBZIDWSA-N 440.504 0.239 50 20 ICGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCC1 1788611177 OBSFPTCLWUSNBO-WBAXXEDZSA-N 429.521 0.859 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)O)C[C@@H]21 1789221760 BFXUYUBRSYJOSV-BMGJLBJMSA-N 435.433 0.494 50 20 ICGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1790567765 NVJPROKNKBXGSV-SDPXSBNPSA-N 445.289 0.785 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1791249212 FWUGCGIVXFOLQD-QUSNUVHPSA-N 431.961 0.771 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@]3(F)Cl)[C@H]2C1 1791372057 VBUQBVZPGOFLSM-AJNNRKIQSA-N 439.875 0.203 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(=O)CN(C)C(=O)C(=O)O)CCC2)cc1 1791571146 LQDADMFWUWXLME-CQSZACIVSA-N 425.869 0.917 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c(F)ccnc1Cl 1794237224 GJHKMMYLFNJDRN-FVCICTRLSA-N 447.659 0.071 50 20 ICGD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(C(F)F)n1 1796190933 FDZYIZQFQAASJE-QDMKHBRRSA-N 432.236 0.603 50 20 ICGD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)n(-c2cccc(=O)n2C)n1 1796389038 GWIZMDJNMVRXDE-JYYAWHABSA-N 447.923 0.731 50 20 ICGD CC(C)Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n(C)n1 1796478017 ZQQSPXJGACODDS-FNLKRUPLSA-N 438.337 0.864 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnc2ccccc12)c1cccc(B(O)O)c1 1797401741 KIJPHKAEMFTFBW-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)c1ccccc1 1797756899 RPBFICMIKIQNAH-DFYYWFRZSA-N 437.500 0.692 50 20 ICGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)c1 1799024373 CYHHSYXADKSCHD-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2 1800778680 BNGWXWRLISPNAN-YYAJDYIMSA-N 449.301 0.670 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1800976661 AZMHFCBWAVKKET-BASYENTBSA-N 433.896 0.929 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802338876 YIWYNLYRYWACKR-NEDDEVHNSA-N 445.520 0.768 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359448 IUTAUZVYHWRKSO-NQIIRXRSSA-N 425.294 0.508 50 20 ICGD Cn1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807360932 DEHKLTLYKAOIOT-XLIONFOSSA-N 433.277 0.128 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364795 GBWGIKZRGZQBOK-YTQUADARSA-N 445.712 0.335 50 20 ICGD CSCC[C@H](O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980233 OZCDHAWMNAXDET-SFHVURJKSA-N 434.367 0.325 50 20 ICGD CC(C)OCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295756 XEYFURSISJDESF-OXQOHEQNSA-N 440.504 0.825 50 20 ICGD CCC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713349 VKNNVWGJKOTHCP-WSTZPKSXSA-N 440.972 0.782 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](Cl)COC)[C@@H]1c1cccnc1 1813030821 GNABANPOFSZKSJ-WBTNSWJXSA-N 442.900 0.406 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822412604 SBLLBZVGNLYBJJ-HOCLYGCPSA-N 435.529 0.690 50 20 ICGD CN1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](F)Br)sc3C2)CC1 1823008587 VGZGTLYRPSEICU-QMTHXVAHSA-N 448.362 0.993 50 20 ICGD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829801065 BFUJOSCYWIQSFL-KNBMTAEXSA-N 440.928 0.048 50 20 ICGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCCC1 1829967944 YMVDBXHMQCGASX-JOCHJYFZSA-N 430.310 0.017 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1830332401 BYRNEFCCZSNMMA-ZTFGCOKTSA-N 438.352 0.594 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1830537154 CDQJRGLIHFKJLB-GUYCJALGSA-N 427.299 0.578 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3Cl)CCO2)C1 1832723709 WJRGFDPHTAGAJE-BEFAXECRSA-N 446.331 0.988 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833263587 NKKVKANEZYDSMH-CYBMUJFWSA-N 442.362 0.276 50 20 ICGD Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834075776 SGMQPSYVGQYBDT-CYBMUJFWSA-N 431.310 0.691 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1N 1835867902 OLJBBCKHSBOQRN-DNVCBOLYSA-N 429.876 0.386 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717509 XKHOYMUFIAHWFC-PBHICJAKSA-N 427.933 0.513 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837311923 QFFUWUIOXWAYPE-AVRDEDQJSA-N 436.553 0.584 50 20 ICGD COc1cccc(OC)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838880863 OZGMLNBWXVHGDT-VBKZILBWSA-N 442.896 0.374 50 20 ICGD O=C(COc1cccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203591 PPVGNOQNBFLOOW-GDBMZVCRSA-N 447.261 0.002 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840031349 NARRUQUBKFPSOK-BDJLRTHQSA-N 447.717 0.983 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840150752 RBAKHEAGIFOYDO-OXJNMPFZSA-N 443.903 0.864 50 20 ICGD COc1ncc(Cl)cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847196403 IWBFYDNLQMQXCE-IRXDYDNUSA-N 429.669 0.553 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)Nc1ccc(F)cc1 10214577 WTKMTZNPDCRLME-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C 109630979 FZUXADSRISOBKM-BKAYVGFPSA-N 438.550 0.998 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 726541017 PTLBPDXBYKGMFS-AWEZNQCLSA-N 440.909 0.673 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 728369640 KPFCRTWSACHBTF-GFCCVEGCSA-N 435.499 0.052 50 20 ICGD COc1ccc(CC(=O)NNC(=O)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 728852184 RBPRWIKDEGVAEW-UHFFFAOYSA-N 448.501 0.044 50 20 ICGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 729519504 WGDZSTDSZXEVHH-UHFFFAOYSA-N 445.501 0.676 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CCc2ccccc2O)c1 730033996 JYNPQVSHJHWRPT-UHFFFAOYSA-N 448.501 0.153 50 20 ICGD O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731810873 WECJCRHGIGITLA-UHFFFAOYSA-N 437.441 0.514 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737469335 KJIKMLKHPCXGEU-UHFFFAOYSA-N 427.417 0.033 50 20 ICGD CSC1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCOCC1 745868698 NHZSKPULGLNRMT-UHFFFAOYSA-N 444.579 0.858 50 20 ICGD COC(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 748620851 UIHSKDJZBASAIN-UHFFFAOYSA-N 433.490 0.561 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)C1 751206592 JPZRQVAWUUULAY-CQSZACIVSA-N 448.501 0.891 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(OCCC(N)=O)cc2)c1 756501675 FOOGRGISQWTBGG-UHFFFAOYSA-N 449.489 0.658 50 20 ICGD Cc1ccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(O)c1 756838431 MRMCJXORBRAKPW-ZIAGYGMSSA-N 430.465 0.999 50 20 ICGD O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 756901990 YSEZOPUWSISMGU-UHFFFAOYSA-N 443.485 0.588 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)Nc1ccccn1 758841219 OLPJLIUMTQRXRK-UHFFFAOYSA-N 431.474 0.702 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 760159996 XPLPAVZDVDVQED-GJZGRUSLSA-N 426.539 0.174 50 20 ICGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760357585 VWCFXSTXCQCNTQ-UHFFFAOYSA-N 447.223 0.690 50 20 ICGD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 763206673 UDUNHMLYTZEQQN-UHFFFAOYSA-N 442.313 0.892 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n(C2CCOCC2)n1 763577709 JYRWIRVMLWCFHC-INIZCTEOSA-N 429.433 0.469 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1 763624855 OLPPWYGTGGELKD-UHFFFAOYSA-N 428.445 0.675 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 763718897 RBEQKFZYKWFFQP-UHFFFAOYSA-N 433.421 0.347 50 20 ICGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC(C)C)c1 763888851 SEQAGGKWWAMHJX-MRXNPFEDSA-N 432.477 0.986 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 764349627 RIKAQWIQUYASKF-UHFFFAOYSA-N 434.836 0.960 50 20 ICGD CC(C)(C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)S(C)(=O)=O 766660386 LRTOMCLHXHJUSS-UHFFFAOYSA-N 430.958 0.428 50 20 ICGD CC(C)c1ccnc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)n1 767319917 MUFBNHMYBINPRC-UHFFFAOYSA-N 431.522 0.954 50 20 ICGD CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1 767752178 YUGWQKDAGXZFJH-UHFFFAOYSA-N 449.508 0.780 50 20 ICGD COC(=O)c1cncc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 774332527 JWNHUSVPTGDONF-UHFFFAOYSA-N 425.445 0.087 50 20 ICGD CS(=O)(=O)c1cccc(NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 776534788 WBYNXFREPKKGTP-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc1C 778421871 RWSXDKMSQQJMIV-UHFFFAOYSA-N 438.444 0.477 50 20 ICGD C[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 778436700 NULARFNECVRCDH-LLVKDONJSA-N 439.494 0.176 50 20 ICGD CN1C(=C(C#N)C(=O)CCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)N(C)c2ccccc21 779549400 QYPFHXHUCOZJTL-UHFFFAOYSA-N 434.460 0.431 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnn1Cc1cccc2ccccc12 783998623 FTFUMVPQSBIDCV-UHFFFAOYSA-N 434.456 0.793 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)cc1C 790686753 QVDVMEXNHYWOJP-FQEVSTJZSA-N 435.502 0.844 50 20 ICGD O=C(Cc1ccc(I)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 792591565 MIMKTGMSHDUPBC-NSHDSACASA-N 437.259 0.351 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2=O 794060851 PQZGXXJEZUSHCB-SZNDQCEHSA-N 445.476 0.561 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795838684 YIHLZSIYISRWMZ-DIFFPNOSSA-N 435.399 0.743 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1C 797368442 AYLLWEXNNSKRPH-UHFFFAOYSA-N 442.428 0.794 50 20 ICGD C[C@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c2ccccc2O1 797369452 XUUWDKGHNFDHAG-AWEZNQCLSA-N 426.429 0.874 50 20 ICGD Cc1cccc(C(=O)NNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 797619480 NCKFPALFQUSBSY-UHFFFAOYSA-N 432.506 0.793 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1C 798307191 KLCHQRBEJAKBPS-UHFFFAOYSA-N 436.428 0.849 50 20 ICGD COC(=O)c1cn(-c2cccc(NC(=O)NNC(=O)c3cncc(NC(C)=O)c3)c2)nn1 812981477 ATBQTKMIGXKWCK-UHFFFAOYSA-N 438.404 0.874 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 815691756 AIZCUVNVAKSWGG-JTQLQIEISA-N 426.355 0.568 50 20 ICGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 815751449 ZTRJGLRERFUYAZ-UHFFFAOYSA-N 449.489 0.387 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 915478136 XKLINHPKMNZGGE-NSHDSACASA-N 441.487 0.025 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CN2CCCCC2)cc1 916462140 SOPGNKZJKVUAEB-INIZCTEOSA-N 425.555 0.820 50 20 ICGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 917723422 DFICLLUWYWSZBX-UHFFFAOYSA-N 443.463 0.520 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1Cl 917725942 XMVOQSAGMLEOFP-UHFFFAOYSA-N 445.862 0.281 50 20 ICGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCCOC)c(=O)n2Cc1ccccc1 918256438 SNCVLVILQTVYFX-UHFFFAOYSA-N 442.476 0.002 50 20 ICGD Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2)c(C)c1 919686859 XTDZJISUAPNIDH-UHFFFAOYSA-N 439.515 0.910 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NC2CCN(C)CC2)c1 920307205 YYTKEDLEDIIZSE-UHFFFAOYSA-N 427.596 0.920 50 20 ICGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1324529007 PKAULPPVIHDRDT-CQSZACIVSA-N 431.536 0.366 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCN4C)C2)C1 1777921942 QYXUOXQZMWCMGD-HSZRJFAPSA-N 443.548 0.495 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1779028432 LNSBHMKCPUIBJJ-INIZCTEOSA-N 433.362 0.029 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1779031807 GLQSIRMZEYCZQN-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)c1cccnc1 1781330704 DFCZRQMBUQXNNK-UKPHBRMFSA-N 429.290 0.992 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4nc(C)sc4n3)CCO2)C1 1783871268 OPKOHLKTUAATLB-KSSFIOAISA-N 441.941 0.725 50 20 ICGD C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935351 QLJYNOFKAKHHEQ-IERDGZPVSA-N 432.525 0.085 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccsc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980047 CMOYDIYXNVJDBO-ZWNDJTGOSA-N 440.330 0.735 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C34CCC(CC3)CC4)[C@H]2C1 1791762088 KVSQOGXQMNSTDF-HVLHEWCSSA-N 440.349 0.930 50 20 ICGD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792866822 LJZNUMZXSHTGTB-CHWFTXMASA-N 432.344 0.814 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1792873350 VGKJTBGNUOPVLD-GUIRCDHDSA-N 426.311 0.828 50 20 ICGD COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)s1 1792978393 ATHANOFJCZWBIH-DZJQYVJYSA-N 430.910 0.267 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003851 BLSADIQJYQMWGL-FVCICTRLSA-N 425.518 0.232 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369577 SPMFMOWVQWXKPE-XHSYRHOGSA-N 427.255 0.161 50 20 ICGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c(F)c1 1794780319 ASNSYEVYZOTAIF-CLLJXQQHSA-N 442.451 0.793 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184637 RRCAYDQUXNTWQA-YFKTTZPYSA-N 437.298 0.700 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798595990 AOTBEWPXWBGLCV-APIJFGDWSA-N 430.509 0.242 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2)[C@@H](F)Br 1799347208 IINWRGAZCQJHJK-LYIQGSDWSA-N 426.246 0.623 50 20 ICGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)n1 1799347932 USTYZOSNKGWTEB-JLUCKKNBSA-N 443.273 0.934 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1800979408 FSLHEPPFZARVKA-CTRAYCPCSA-N 434.924 0.596 50 20 ICGD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)ncn1 1804964063 LWIGEOHJEOOIJG-APHBMKBZSA-N 433.852 0.489 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2ncc[nH]2)[C@@H]1c1cccnc1 1805155110 AUYAVQGKIVPMGN-PBHICJAKSA-N 434.460 0.437 50 20 ICGD CCc1oncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806030844 QIDRVYFUEZXKGQ-LAUBAEHRSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367113 QCVBHDANKKRTJU-LAUBAEHRSA-N 433.277 0.047 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369828 WYHFOIYMTOVJSO-RXVVDRJESA-N 447.304 0.611 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810158386 RDKFAXFKTBUBDN-KEYYUXOJSA-N 435.916 0.674 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1813069784 BVURKUMRBLTBDI-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)COC1 1813073094 HGVSAPMDHZTIFQ-YLJYHZDGSA-N 431.537 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814601517 MJIQRDJFTKNBDR-LBPRGKRZSA-N 436.538 0.051 50 20 ICGD O=C(CCc1cncnc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817552023 SMXCDLDZNVASGL-IBGZPJMESA-N 448.292 0.818 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820198357 YBMNZQLBOILYBK-GMXVVIOVSA-N 432.930 0.460 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)Br)CC1 1826821231 VMQDNXIVGVBEFH-GZBFAFLISA-N 435.338 0.889 50 20 ICGD C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829260062 FVMQZBSTCGAZJP-DYESRHJHSA-N 433.892 0.671 50 20 ICGD COc1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830988545 SGHYMFKNUAQUFE-UWJYYQICSA-N 440.924 0.684 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)CC1 1831416111 OGHGZSAUVCKQSX-QAPCUYQASA-N 442.520 0.055 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831609308 NLPPRAZHGGLKKC-GDZNZVCISA-N 434.331 0.128 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831861700 JUNSGQMXONTGOS-GUYCJALGSA-N 429.315 0.962 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@](C)(Cl)CCl)C3)C2)no1 1832931588 UCTCNBLJUSDCIM-IRXDYDNUSA-N 435.308 0.613 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CCC(N)=O)CC2)CC1 1836532107 NEUXEPZKRAZCBL-HNNXBMFYSA-N 431.375 0.997 50 20 ICGD O=C(Cn1ccccc1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716725 LVVXUMYTSSKSNR-QGZVFWFLSA-N 425.913 0.447 50 20 ICGD Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838095179 NBXCMPOXFIIRMJ-CZUORRHYSA-N 431.262 0.546 50 20 ICGD O=C(c1ccnc2c(O)cccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839605940 WNKSZXQDRWQYFM-LAUBAEHRSA-N 449.891 0.610 50 20 ICGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034073 ZTJIBZXETOHYNY-GTNSWQLSSA-N 429.315 0.880 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840149913 BCFQYFHYFYOSBR-NILFDRSVSA-N 432.823 0.010 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840155288 WEHCPHNTKRQQRZ-IUODEOHRSA-N 439.734 0.624 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)CNC3=O)C1 1844132993 SYTFSPCDIUHXII-VULFUBBASA-N 448.483 0.881 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1844691848 HLHQAXNSIYJETM-LBPRGKRZSA-N 432.433 0.849 50 20 ICGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17517652 WUIUFDJMSNBJAN-UHFFFAOYSA-N 444.513 0.591 50 20 ICGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 21039227 GXUIBNKEWQUBFV-SFHVURJKSA-N 437.456 0.904 50 20 ICGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(F)ccc2Br)cn1C 728546856 KPPXTNUPVIOYCF-UHFFFAOYSA-N 448.274 0.370 50 20 ICGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCC1 729966668 VXXPQYOFTQPWCM-UHFFFAOYSA-N 444.513 0.842 50 20 ICGD NC(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nn1-c1ccccc1 731989890 ZKJWEQDUUJMASE-UHFFFAOYSA-N 434.460 0.439 50 20 ICGD O=C(NCCCC(=O)N1CCc2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 732235705 GTADNYAUXAJLRI-UHFFFAOYSA-N 434.460 0.976 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1 732261647 FGDFUXIUCXYEAP-HZPDHXFCSA-N 432.587 0.475 50 20 ICGD CCN1C(=O)c2ccc(C(=O)NNc3nc4ccccc4c(=O)n3C)cc2S1(=O)=O 733260931 SAHAIBUBXXEOGV-UHFFFAOYSA-N 427.442 0.855 50 20 ICGD Cc1nn(C(C)C)c(C)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 734420166 YKOKCRGVQVIAOA-UHFFFAOYSA-N 428.540 0.997 50 20 ICGD COc1ccc(S(=O)(=O)CCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 740776940 PPUMFUSUNPSTPK-CYBMUJFWSA-N 434.536 0.360 50 20 ICGD COc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1N1CCNC1=O 742037623 ZIWCZPVZBNXAAI-UHFFFAOYSA-N 446.489 0.593 50 20 ICGD C[C@H](CC(=O)NNC(=O)COc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 742472200 YOPWNRWYCRXTHT-GFCCVEGCSA-N 434.449 0.869 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)c1 751147794 UWNRUWIPVBRORT-UHFFFAOYSA-N 434.398 0.690 50 20 ICGD C[C@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 751520894 KWXVBYZJBITWHM-IJEWVQPXSA-N 436.582 0.964 50 20 ICGD Cc1c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cccc1-n1cnnn1 755443559 HMJTUCLNUWFKAY-UHFFFAOYSA-N 444.477 0.688 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 758958159 RMKVAFPKIPRDEP-KRWDZBQOSA-N 429.477 0.631 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2nc3ccc(Cl)cc3n2C)n(C)c1=O 763358495 UVHLEWAYYZYMBZ-UHFFFAOYSA-N 428.840 0.124 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cn1 763596478 HQLHFVGOELVCSJ-UHFFFAOYSA-N 430.465 0.226 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 763628709 LSCFDSAFJVOUDS-UHFFFAOYSA-N 438.444 0.557 50 20 ICGD CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1F 763680947 RYIFIWIYHDBEDH-UHFFFAOYSA-N 441.412 0.674 50 20 ICGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 763735733 LLSHTOAINITXIB-UHFFFAOYSA-N 431.497 0.059 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1NS(C)(=O)=O 763840632 VUWWDXZXXINXRB-UHFFFAOYSA-N 438.437 0.671 50 20 ICGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 764081813 JYRWVRUGMKJJSL-LBPRGKRZSA-N 428.511 0.858 50 20 ICGD COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764153533 LGLCWZUQMKWSCA-KRWDZBQOSA-N 426.429 0.487 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 764259693 MSWBVKJLICQXSO-OAHLLOKOSA-N 448.382 0.589 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764277813 HTCGMDYQUWFQKS-UHFFFAOYSA-N 436.446 0.319 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764379866 MUGLIMUKPMRJBT-UHFFFAOYSA-N 446.363 0.231 50 20 ICGD N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764424980 LQJWAJVZGIGDDL-LJQANCHMSA-N 438.440 0.833 50 20 ICGD Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435809 WUMGHMPONVOWPI-HNNXBMFYSA-N 429.477 0.980 50 20 ICGD CC(C)Oc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 764466580 RPINQICHLWQHOH-UHFFFAOYSA-N 448.501 0.965 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n[nH]1 765603045 YWKKRQWZHJEAGU-JOCBIADPSA-N 439.428 0.009 50 20 ICGD O=C(CC1CCCCC1)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731870 DDVHLNFIDSVQGN-UHFFFAOYSA-N 443.548 0.678 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)c1 768238722 TVCGDXDPNYDHOO-UHFFFAOYSA-N 442.428 0.997 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 771974450 LZKGJZPNILOZSM-LLVKDONJSA-N 429.495 0.875 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772188461 QKYKMHWOYOQLBJ-UHFFFAOYSA-N 448.888 0.329 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c2ccccc2c1=O 772355793 YEORAZKKAVVYNB-UHFFFAOYSA-N 437.460 0.264 50 20 ICGD CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 773250420 ZNLRSVOCQJVCAZ-MRVPVSSYSA-N 439.537 0.423 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776055923 JTALJRYIDKEJKN-SECBINFHSA-N 431.272 0.800 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCNC(=O)c1cc[nH]n1 779969971 QHOKIJPJDWBSLI-JTQLQIEISA-N 439.270 0.700 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 780172799 ACPJHZMUVAPYFC-UHFFFAOYSA-N 430.494 0.497 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3cccc(F)c3)c2)CC1 783035888 HROYYXROGLLEBV-UHFFFAOYSA-N 435.481 0.844 50 20 ICGD O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1 785724887 ITKUQIFGAUHCIN-WMLDXEAASA-N 434.832 0.774 50 20 ICGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CCc2ccccc2O)cc1C 794587603 MOJYRJZZSILLEL-UHFFFAOYSA-N 427.504 0.551 50 20 ICGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)C2=O 795169764 WVYBECCJIVQSAY-DJJJIMSYSA-N 437.522 0.881 50 20 ICGD Cc1nc(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs1 797005093 OAWPEAZZQRDLCD-VIFPVBQESA-N 425.492 0.142 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 804958543 BMBNTTGNGQOPPN-ZDUSSCGKSA-N 430.469 0.621 50 20 ICGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)C(F)(F)F 806567646 IUDXAMMPFAWHIB-ZDUSSCGKSA-N 435.428 0.863 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNc3ncncc3Cl)c3ccccc32)N1 806990178 AXDCOPFAHNOYEN-NWDGAFQWSA-N 430.852 0.609 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 807369309 VIPRCXOTOZMBEI-UHFFFAOYSA-N 442.266 0.982 50 20 ICGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 815691403 PDLMLAZGGOLGMD-VIFPVBQESA-N 437.254 0.398 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 815751227 UNGWMLOGZZSFJL-UHFFFAOYSA-N 443.489 0.659 50 20 ICGD O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)NNC(=O)[C@@H]1CCc2nncn2C1 816875883 KCYPZPCJZCPUGA-GFCCVEGCSA-N 441.473 0.645 50 20 ICGD COc1ccc(CC(=O)NNc2ncncc2F)cc1S(=O)(=O)N1CCOCC1 817082621 VBDOTNFWMBHMPD-UHFFFAOYSA-N 425.442 0.331 50 20 ICGD COc1ccnc(NNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)n1 914762770 IJDBIVMIZDACGX-UHFFFAOYSA-N 434.478 0.095 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)cc1 915188406 LBGBCSWOCNWMAA-UHFFFAOYSA-N 428.470 0.918 50 20 ICGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 916048837 RUOVGXKJXKROMK-HNNXBMFYSA-N 431.536 0.445 50 20 ICGD CN1CCN(c2ccc(CNC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cn2)CC1 916245293 KEQNDOVDHVXMLB-UHFFFAOYSA-N 446.533 0.381 50 20 ICGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CC(F)(F)F 918365796 KWELTFXMBYBFIO-UHFFFAOYSA-N 425.385 0.430 50 20 ICGD Cc1c(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nnn1-c1ccccc1 920287686 IJVFOQRFDCZSIT-UHFFFAOYSA-N 448.892 0.880 50 20 ICGD COC(=O)C(=O)NNC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1116187522 PUQIREGLFRELQP-INIZCTEOSA-N 435.458 0.692 50 20 ICGD CNS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 1347723927 KGHUOVUXLQNABK-UHFFFAOYSA-N 426.520 0.531 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)cccc1F)CCO2 1779032255 HSFIXXQQHOVDDM-NRFANRHFSA-N 445.426 0.721 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)no1 1779125572 CKYQEPFHCYQPRW-YVEFUNNKSA-N 443.298 0.326 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528982 VXIVUEZAPLBDGD-GUYCJALGSA-N 441.282 0.792 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673463 ZEWRRMMUVKBCGW-PXAZEXFGSA-N 443.298 0.422 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)nc1 1783372785 MNSLRRCIBXLAOU-SZMVWBNQSA-N 443.696 0.322 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1783534618 MMWQCSVWFRWBCG-DETPVDSQSA-N 431.356 0.626 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nccnc3c1)CCO2 1783934946 NSYDAXVQBRISPN-JOCHJYFZSA-N 440.504 0.446 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1783935513 UVPFXRNRVXQYNK-NRFANRHFSA-N 428.493 0.151 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1onc3ccccc13)CCO2 1783937142 PUWBWPIWPIXVJI-OAQYLSRUSA-N 429.477 0.644 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2)C1 1783984607 ODTQTXREIYTWKX-BIENJYKASA-N 433.933 0.983 50 20 ICGD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)[C@H]2C1 1785075618 SCIUHUZCBYWFIY-VGWMRTNUSA-N 446.976 0.660 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cccc1 1786986557 KVBUWXCVHMEOKR-UHMOLFJZSA-N 425.294 0.022 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2c[nH]nc2c1 1787317776 LFHZKMWUWAWDKM-CUWPLCDZSA-N 448.288 0.150 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnc4[nH]3)[C@H]2C1 1788371667 PCPGTVXDGGTIDQ-BQFCYCMXSA-N 442.520 0.529 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788614798 ANNWEBFWANXXRW-ZPFDUUQYSA-N 439.351 0.141 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1789860455 UXCVIQINDDJFSI-JONQDZQNSA-N 435.974 0.409 50 20 ICGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21)n1cncn1 1791609943 OGGANRDZAZFTRK-YTFOTSKYSA-N 428.331 0.850 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN3C(=O)C=CC3=O)cc2)CCC1 1791695469 XAJZMHADXCZUKQ-UHFFFAOYSA-N 441.488 0.419 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(Cl)c1 1794415658 IWESLSJRQKZFEC-IVWMJMPLSA-N 439.900 0.017 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1F)C2)c1cccc(B(O)O)c1 1795739695 BVQYWUMTBACTEA-HBCWATKFSA-N 430.216 0.162 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795768107 BEDLBTSCESYBCT-FAYQHZLMSA-N 427.343 0.973 50 20 ICGD O=C1CCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)nc2N1 1796189250 QAVAORGWHNMIGX-BCDXTJNWSA-N 448.288 0.212 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192607 LMMJBZYVWDMCRK-REPLKXPHSA-N 435.289 0.890 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)on1)C2 1797748164 KSVAFQXNLYRNFL-IVWMJMPLSA-N 440.460 0.068 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1797956261 NEXOIGXDEWHCRH-GFAJBQDWSA-N 437.613 0.829 50 20 ICGD CNc1nsnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439790 HZMHZXPSXKYMAA-JGPRNRPPSA-N 430.494 0.144 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 1800662890 UCFLIKCFSJCXEU-QDMKHBRRSA-N 433.465 0.925 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H]1CCCCO1 1802584556 MZWOCOLYTUMTOJ-TYPHKJRUSA-N 437.305 0.650 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CC1 1807361268 WKSYRCWGRUTNPC-AZUAARDMSA-N 437.305 0.508 50 20 ICGD CCC1(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)COC1 1812492825 NEZXRFVARXLVPL-XLIONFOSSA-N 431.537 0.887 50 20 ICGD Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)no1 1813071706 WFTPFVKNXPTULU-KKSFZXQISA-N 443.508 0.395 50 20 ICGD CCN(C)[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474796 GEPKKANEBVUWTF-KDOFPFPSSA-N 427.314 0.736 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnnc2O)n[nH]1 1820057395 ZCVIHJNPXDHHHL-AWEZNQCLSA-N 430.469 0.584 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](Cl)COC)n[nH]1 1822370009 JXWPQDUTQPMREN-IXPVHAAZSA-N 431.877 0.720 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825998112 CGUKULXNECORFN-OLZOCXBDSA-N 437.714 0.303 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CO)o2)CC1 1829268127 FHMXHMDLIVCXGK-HXUWFJFHSA-N 440.305 0.999 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829534333 XYRCEJNDPZESFO-ACJLOTCBSA-N 433.839 0.684 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830533652 RDBNCIIQBVDHJU-LALPHHSUSA-N 427.723 0.074 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1830546909 XKDVCVIPDXZHSG-KBXCAEBGSA-N 433.343 0.779 50 20 ICGD Cn1ccc2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c21 1830728256 REYKVIIMHRXMJD-LAUBAEHRSA-N 435.908 0.848 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cnn(C)c2)CC1 1831876944 NPIQYJLWBUDENV-IBGZPJMESA-N 432.569 0.955 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832930654 JXTDFNCGUDKMTC-SUMWQHHRSA-N 445.314 0.550 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312736 ZGFRVUODAVLKIZ-KRWDZBQOSA-N 437.928 0.191 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)CC1)[C@H](O)CCl 1833312781 DLJILCSOLUMGPK-IFXJQAMLSA-N 437.972 0.686 50 20 ICGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(C)o1 1834097051 YAPWWVIUDDJFGV-OAQYLSRUSA-N 436.509 0.339 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(OC)cc3)CCO2)C1 1835071829 PSWNBWCOLANQJZ-GHTZIAJQSA-N 440.924 0.948 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H](F)Cl 1835080198 LPTNWLWSEQZVSI-QGZVFWFLSA-N 425.697 0.086 50 20 ICGD O=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CCBr)CC3)CC2)=NN1 1835698147 JFQSAQJMIJQAQL-UHFFFAOYSA-N 428.331 0.219 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cnn2c1 1836947714 PGQZZHVCROPJKK-KSSFIOAISA-N 425.848 0.642 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1837715343 LRAXKNZZERLKGO-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3)CC2)CC1 1837921073 XJSRWYUBOACLHV-FQEVSTJZSA-N 446.378 0.874 50 20 ICGD O=C(C(Cl)Cl)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838405380 SRFXFANXKOOUTA-SFHVURJKSA-N 438.352 0.439 50 20 ICGD Cc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838898423 OVTJJKGEEGMASB-QHCPKHFHSA-N 438.289 0.059 50 20 ICGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839147810 CXYJCKDAPNMVDN-HNAYVOBHSA-N 426.901 0.753 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839150769 XCEKRLNNBXMJCI-IAGOWNOFSA-N 438.308 0.131 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840036959 UFPSFRRWXWUKBN-QAPCUYQASA-N 443.342 0.903 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416303 UVVXGBOTZZVGLJ-CBOPYVSYSA-N 431.497 0.031 50 20 ICGD COc1ccc(-c2n[nH]c(=S)n2CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 9931235 SIIFQNQWQVZUSZ-NSHDSACASA-N 425.492 0.198 50 20 ICGD Cc1nnc(NNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)[nH]c1=O 11548265 IYDKRRPUVZLLPM-UHFFFAOYSA-N 435.238 0.755 50 20 ICGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 14368646 MPSRJPYCLZSBJR-AWEZNQCLSA-N 447.467 0.602 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 14907282 YYFHZIRODOGRLZ-UHFFFAOYSA-N 444.469 0.419 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC)cc2)c2ccccc2c1=O 17191033 BMHIIGIUCAJSJK-UHFFFAOYSA-N 429.458 0.399 50 20 ICGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12 17524241 SPUDAPJZCSCZEZ-UHFFFAOYSA-N 431.474 0.602 50 20 ICGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 725741702 RKORLLBKOARUCD-UHFFFAOYSA-N 436.515 0.688 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)CC)c2ccccc2c1=O 727943812 QMGFAWGTOVHNTE-UHFFFAOYSA-N 437.522 0.965 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1S(N)(=O)=O 731689669 OJAAVAQYTPKEJZ-UHFFFAOYSA-N 439.519 0.319 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1cccc2ncccc12 732473769 AENZCDCULOUCIX-CQSZACIVSA-N 435.506 0.667 50 20 ICGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732954469 LPGADQBKVJSSIS-OAHLLOKOSA-N 437.434 0.872 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1C 736777013 MDBBJIXYFJTXET-UHFFFAOYSA-N 445.544 0.875 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 739011871 VUTHBAYKMDSIKD-UHFFFAOYSA-N 441.492 0.063 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1C 742025328 BHUBNZQJEVWBEN-UHFFFAOYSA-N 429.462 0.442 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 743334598 BOHJZBQWFJJMNI-OXHZDVMGSA-N 429.401 0.288 50 20 ICGD Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 744403055 UPVLLGXSUYDFPL-FQEVSTJZSA-N 431.456 0.449 50 20 ICGD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751204525 ITVCCNOYXPYTJA-UHFFFAOYSA-N 430.442 0.995 50 20 ICGD O=C(CN1CCN(C(=O)c2ccc(O)cc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 754640166 SRQOTIWZZQAKSF-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C(=O)OCC)c1 755842090 RDDAQNNYEQXYRU-JTQLQIEISA-N 444.466 0.130 50 20 ICGD CS(=O)(=O)CCOc1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 756298507 XNTCXVHIQJYMOP-UHFFFAOYSA-N 445.461 0.552 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)cc(Br)c1 758026549 RBEBSWGNDILUQC-ZCFIWIBFSA-N 443.117 0.910 50 20 ICGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@]12CCCO2 760142848 NQUZZHNRERBYDZ-GPMSIDNRSA-N 440.522 0.608 50 20 ICGD O=C1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCN1 760265352 QWJRAQCQLQGSKP-INIZCTEOSA-N 430.486 0.452 50 20 ICGD O=C(NNC(=O)c1ccc(Br)s1)C1=CC=CN2CCS(=O)(=O)N=C12 761414172 DGUKUURBRRTMAD-UHFFFAOYSA-N 431.293 0.769 50 20 ICGD CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763467841 TZNHQOMBMZJUPO-UHFFFAOYSA-N 442.432 0.885 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C 763666900 MFZIXXYVCIQPAU-UHFFFAOYSA-N 433.428 0.921 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763711301 GWXLQSPNJSBKGT-UHFFFAOYSA-N 438.444 0.298 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 763738650 WEOHSDKSAACKPG-UHFFFAOYSA-N 429.458 0.273 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 763775198 NPVWOXPYPGAXKL-UHFFFAOYSA-N 441.404 0.088 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1C 763861127 OLOOODWQDRMBSP-UHFFFAOYSA-N 443.485 0.761 50 20 ICGD Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 763933525 ZOPUCAKVXQIEFX-UHFFFAOYSA-N 442.447 0.935 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cccc4ccccc34)cn2)CCN1 764048490 NCDXMNAVMZUFCR-UHFFFAOYSA-N 432.440 0.571 50 20 ICGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c1 764229875 CSKGCWYXZOVGSM-UHFFFAOYSA-N 437.250 0.865 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3o2)cc1 764331179 OZYMCRSFIJBOTB-UHFFFAOYSA-N 438.396 0.735 50 20 ICGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 765399347 WNRIIVSVKFUABO-UHFFFAOYSA-N 428.467 0.202 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)n(C)c1=O 765731805 SDJUJHSBAHDFDM-UHFFFAOYSA-N 425.232 0.202 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766636197 MMMSMJOMCNHWGT-QZTJIDSGSA-N 430.505 0.571 50 20 ICGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770982236 FGURKQYTVHDRSI-AWEZNQCLSA-N 429.506 0.993 50 20 ICGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 773264901 NJVKPAYAWJPMNG-SNVBAGLBSA-N 433.895 0.764 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 778440927 MCOLGRLUJCZOPD-UHFFFAOYSA-N 446.551 0.747 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 778682514 JQLIRMPINZEHNR-PMPSAXMXSA-N 431.493 0.999 50 20 ICGD Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)cc12 782701258 BBXJDSLPUDGGKV-UHFFFAOYSA-N 428.474 0.361 50 20 ICGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)c1sc(N3CCOCC3)nc1C)CC2 782897384 OKOORNDHQQVDEO-UHFFFAOYSA-N 429.502 0.947 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3cncc(Cl)n3)cc2)CC1 783258571 JZKIDUKBGQDAPR-UHFFFAOYSA-N 445.911 0.918 50 20 ICGD COC(=O)CN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 790914915 IKNFIABKTYNANZ-UHFFFAOYSA-N 425.489 0.974 50 20 ICGD O=C(CN1CCC(S(=O)(=O)N2CCCC2)CC1)NNC(=O)c1cccc(Cl)c1 800483038 UYPAWTRZYBJILM-UHFFFAOYSA-N 428.942 0.991 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cncc(-n2ccnn2)c1 801647891 JYHCWWSSZFECAK-UHFFFAOYSA-N 441.473 0.522 50 20 ICGD Cn1ncc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1-c1ccccc1 806975919 UQBWOUDSKKIRPF-UHFFFAOYSA-N 431.416 0.463 50 20 ICGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br 815567729 JNYNZXJUPLERTJ-UHFFFAOYSA-N 442.201 0.508 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 815692985 IHEYNUZRXUBMJU-NSHDSACASA-N 428.840 0.466 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 816876849 FGZKJVKTXAMXTD-LLVKDONJSA-N 440.851 0.997 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CC3CC3)CC2)o1 819126890 YGOSEMXSZIJGNJ-UHFFFAOYSA-N 427.479 0.805 50 20 ICGD C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 915483383 YVYUJJKHMRORCT-LLVKDONJSA-N 441.487 0.025 50 20 ICGD Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c2ccccc2n1 916110754 RLSOYMJJJBKDAK-UHFFFAOYSA-N 442.453 0.981 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H](C(C)C)N2CCOCC2)nc1 916254508 YIZBUEXZMZQMGX-MRXNPFEDSA-N 428.559 0.751 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 916392295 VIYAZWQUCXSOEZ-UHFFFAOYSA-N 438.488 0.469 50 20 ICGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916471082 ZZGUYTIOXKXWFA-OAHLLOKOSA-N 439.538 0.136 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCNc2ccccn2)cc1 916576625 YHMFLSAOTDMULI-UHFFFAOYSA-N 434.522 0.843 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cn1 917719525 DMLHRISHKWIFMC-UHFFFAOYSA-N 449.514 0.522 50 20 ICGD CC(=O)Nc1ccc(F)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 919740321 QWZLOIGJMDGLQS-QGZVFWFLSA-N 431.376 0.928 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(N3CCNC3=O)c2)c1 919896930 PNNGBRMRDPBAGL-UHFFFAOYSA-N 446.489 0.933 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778746031 KFNFBIHNHWPVEY-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778763330 GLIFOJZKQYYHHX-HWDJQBOSSA-N 445.520 0.405 50 20 ICGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)c1cccs1 1779033720 CDEFMJFQTRVKEN-SZNDQCEHSA-N 443.529 0.994 50 20 ICGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(OC)c1 1780532396 DNORNKCLBBKOOM-JOCHJYFZSA-N 448.520 0.520 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781227683 PBFVJCZREIZSJH-IAGOWNOFSA-N 443.291 0.097 50 20 ICGD C[C@@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782534816 JKLUNCJBEHWFGA-AXHMDWHKSA-N 425.913 0.963 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1783933600 AYSCLCVQBSXEQK-KRWDZBQOSA-N 434.459 0.922 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(F)F)no1)CCO2 1783933902 LTNHQJJKUQEQPO-SFHVURJKSA-N 429.424 0.429 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785351373 KPHDJGCSRQLIFQ-KUHUBIRLSA-N 426.901 0.495 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889676 FIWIWJYCKAGUIL-HJPIBITLSA-N 426.857 0.022 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1790960808 ACBNGRSUHBEWOT-QNSTZXKLSA-N 433.347 0.587 50 20 ICGD COc1ccc([C@H](O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1 1792788002 FRZZTIRWYPMXRR-JTJHWIPRSA-N 438.289 0.360 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1792872892 CVNWMCPPWJDCDF-NFFDBFGFSA-N 427.299 0.476 50 20 ICGD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)=Cc2ccccc2N1 1792981408 XVUKYQRXTBBGOE-LORHWOILSA-N 433.892 0.602 50 20 ICGD COc1cccc2c1C[C@H](C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)[C@H](O)CCl)CC2 1792983827 QFCZHRDLGRODQC-ZKHYITAMSA-N 436.936 0.989 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCC1(F)F)C2)c1ccc(B(O)O)cc1 1795732714 CMTHKMCFNHZXRF-CYGHRXIMSA-N 436.264 0.395 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1F)C2)c1cccc(B(O)O)c1 1795741296 SNIFPXVWSAEZFY-VPTLXERWSA-N 444.243 0.091 50 20 ICGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797140697 CKVGPABICKZBDZ-FZKCQIBNSA-N 435.974 0.265 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(c2ccccc2)=NN1)c1cccc(B(O)O)c1 1801217226 YUOPSGNVQJYUIX-IIZPIQPGSA-N 446.316 0.384 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(-n3cncn3)c1)C2 1802337885 DOFAADTUSLOVQH-GGPHIMKMSA-N 439.520 0.892 50 20 ICGD Cc1cc(C)n(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1802781111 WXTRBQAMVNLZKU-BJWYYQGGSA-N 439.520 0.841 50 20 ICGD Cc1c(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cnn1C 1805928631 GKRXLNJOTSWWJF-DYESRHJHSA-N 441.536 0.816 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)o1 1807363342 ZHWLAQOPFPFHTC-QUCCMNQESA-N 448.288 1.000 50 20 ICGD Nc1ncc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)s1 1809896526 OOIOZFXZCPCQOT-UHFFFAOYSA-N 428.323 0.564 50 20 ICGD CCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)COC1 1812488442 BSVNDUUGSPXHIC-ICSRJNTNSA-N 437.305 0.508 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813067916 HJQTZOYCBMVBIY-JHOJWFKBSA-N 433.553 0.867 50 20 ICGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCBr)CC2 1814801773 JJKLBPSNYOMGNQ-IUCAKERBSA-N 432.344 0.433 50 20 ICGD CCn1nccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470534 CPRUPDKBEWZGRS-QGZVFWFLSA-N 436.281 0.926 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnc[nH]2)[nH]n1)c1cccc(B(O)O)c1 1817478700 AFEBEOLFANOAPG-DVBCCOPCSA-N 434.265 0.832 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)nc2cccnn12 1820143660 AOOXMXUKKKLHCG-JSGCOSHPSA-N 445.867 0.718 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC(=O)NN(C)C)n[nH]2)n1 1822410393 IWHOTYSFPKPESI-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCCS3(=O)=O)sc2C1 1824939043 IAAAHZMZQJMOLD-OUJBWJOFSA-N 435.955 0.886 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)C1=COCCC1 1826175202 HYWAKRDJCDEOEN-HNNXBMFYSA-N 427.291 0.743 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1830538053 UWZHNYQEVFQYFK-MEDUHNTESA-N 447.355 0.826 50 20 ICGD C[C@H](Cc1ccncc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736673 VWHDQYANCSXECY-WRWLIDTKSA-N 425.913 0.316 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C(C)C)CC3)CCO2)C1 1832416312 XQKXZSMCCDMNSX-WIYYLYMNSA-N 445.988 0.817 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1)[C@H](O)CCl 1833312131 KJQFGWBHISHPOT-QGZVFWFLSA-N 439.944 0.286 50 20 ICGD Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1833897198 LMSXXPGVGBGITP-UHFFFAOYSA-N 427.347 0.785 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834421240 VPISOEINTQDYKG-HNNXBMFYSA-N 429.359 0.622 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834616216 FKWLKQZFOZGKCC-HNAYVOBHSA-N 427.885 0.876 50 20 ICGD CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834689350 HSOUIHWVQMKRRZ-IIBYNOLFSA-N 438.617 0.304 50 20 ICGD C[C@H]1C[C@@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798378 NQQQIROHQMLMJG-QMHKHESXSA-N 427.354 0.598 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835666954 QNFARNWAWFMYMP-OAHLLOKOSA-N 441.964 0.145 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260559 SVBDUTNABXZTDO-YVEFUNNKSA-N 433.292 0.454 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886090 IQPSNRODEIADHV-WMLDXEAASA-N 434.331 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839962406 DBWZFHJITDHGNB-MAUKXSAKSA-N 443.342 0.972 50 20 ICGD COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)C1 1840146563 RLSLNWHGUSLPRT-NRTGNBEESA-N 434.892 0.957 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840150687 OZXCYITWICZRNM-YLJYHZDGSA-N 440.928 0.471 50 20 ICGD COc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccc(F)c1F 1843014772 ZNSQBIYRJZJHSB-UHFFFAOYSA-N 430.216 0.784 50 20 ICGD Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844508563 YYUAVISGCCYGES-UHFFFAOYSA-N 436.199 0.250 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc(Cl)n1 1848262900 PAFNDNGNMXDCAY-HOTGVXAUSA-N 428.880 0.792 50 20 ICGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 726277228 JOWKWFKMTDACDZ-ZDUSSCGKSA-N 429.319 0.664 50 20 ICGD O=C(COC(=O)c1cnc(-c2ncccn2)s1)NNC(=O)[C@H]1COc2ccccc2O1 728341208 VFXQIVLZYBDTQG-CYBMUJFWSA-N 441.425 0.744 50 20 ICGD C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728845400 JSNPOYJPJIQZFB-CWRNSKLLSA-N 428.493 0.404 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1 728946009 VCUUECAVIUFGLE-UHFFFAOYSA-N 431.474 0.627 50 20 ICGD CN(C)c1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743823467 PELDOGRSPMMJNI-JHNDHUHGSA-N 431.518 0.623 50 20 ICGD O=C(CNC(=O)OCC(F)(F)F)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619272 LWVVGPHHAZYGSZ-UHFFFAOYSA-N 440.400 0.439 50 20 ICGD CO[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 745927908 NTBNYBCNQGVADM-MRXNPFEDSA-N 428.511 0.323 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)N(C)C)CC2=O)cc1 746012934 PTYWQQCAJMQIRY-CYBMUJFWSA-N 425.511 0.372 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 749449547 ONNCXOTZTFTDJO-KRWDZBQOSA-N 447.451 0.316 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 754826017 SMHNHQHDIZJDML-CQSZACIVSA-N 435.437 0.872 50 20 ICGD Cc1sc(Br)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755967725 QZBLXIPWJDIFBH-ZETCQYMHSA-N 432.343 0.499 50 20 ICGD COc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1-n1cnnn1 756748022 UXNZMGWCMVTXCW-UHFFFAOYSA-N 435.404 0.384 50 20 ICGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 756798479 XSDPJZIMTDVKIY-FQEVSTJZSA-N 445.501 0.148 50 20 ICGD O=C(c1cn(Cc2ccccn2)nn1)N1CCN(S(=O)(=O)CBr)CC1 758522953 LUOVAQJOFLBQDV-UHFFFAOYSA-N 429.300 0.161 50 20 ICGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1OC 760336242 ZSGGZGZYJLYTPG-UHFFFAOYSA-N 432.451 0.870 50 20 ICGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1 763203772 CAGRQWILSYLCEC-UHFFFAOYSA-N 433.494 0.108 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)Nc1cccnc1 763513006 WVLZKGYWAFMFMQ-UHFFFAOYSA-N 431.474 0.656 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cccc1S(=O)(=O)NC(C)(C)C 764285751 KQDJQSFHBCNABQ-UHFFFAOYSA-N 436.494 0.124 50 20 ICGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 764345235 DBZXLSKLJMRHBJ-UHFFFAOYSA-N 440.865 0.696 50 20 ICGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O 765322712 LETMEWVKLKPWRB-UHFFFAOYSA-N 439.513 0.939 50 20 ICGD C[C@@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O 765324419 WGUKFVCAYZUERQ-LBPRGKRZSA-N 425.486 0.692 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767678606 FPCRVDFLUZHJME-CQSZACIVSA-N 444.469 0.538 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768230478 FWMSGGCKMPKARN-INIZCTEOSA-N 449.427 0.466 50 20 ICGD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c(F)c1 769860956 JPLWJBODICHHAX-UHFFFAOYSA-N 429.813 0.745 50 20 ICGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1Br 772856258 MCMFZRNAWOXPFU-UHFFFAOYSA-N 440.272 0.685 50 20 ICGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 777765147 FZPMUIQQKLJKDA-UHFFFAOYSA-N 437.522 0.718 50 20 ICGD O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(S(=O)(=O)CBr)CC1 777833198 VURLJKUPQNENKQ-UHFFFAOYSA-N 429.300 0.167 50 20 ICGD COC(=O)c1cccc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 780791020 GAJSUVWLQGLNDA-UHFFFAOYSA-N 435.238 0.822 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cccc1N1CCNC1=O 787544542 TZHDUFXBMKOYOD-UHFFFAOYSA-N 439.428 0.696 50 20 ICGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 790966094 YJZDCMYTGZEASK-GJYPPUQNSA-N 441.488 0.973 50 20 ICGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1C(N)=O 797094278 ZRCJGAOITYFBDX-UHFFFAOYSA-N 438.444 0.549 50 20 ICGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 800597327 UQXBAZAQSULPPA-UHFFFAOYSA-N 429.433 0.646 50 20 ICGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)Nc1cc(F)cc(F)c1 802002138 FUJGLSFCESFTLZ-INIZCTEOSA-N 425.436 0.831 50 20 ICGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNc2ccc(-n3ccnc3)nn2)cc1 804953550 UWFZRVQVBFQYDJ-HQWZXOHUSA-N 446.471 0.909 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[S@](=O)C[C@@H]1c1cnn(C)c1 805751974 UOMLPFYXSMUWPO-HOLBHBGLSA-N 439.925 0.649 50 20 ICGD CC(=NNC(=O)Cc1csc(N2CCOCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811635993 UAIGAGMAXPHBLK-UHFFFAOYSA-N 428.474 0.592 50 20 ICGD Cc1c(/C=C(\C#N)C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(C#N)n1C 913286773 IRAOVAOQTJMDCJ-OVCLIPMQSA-N 435.444 0.493 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914749907 NVNWQWLLAIYKGC-UHFFFAOYSA-N 427.410 0.280 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(OCC(N)=O)cc2)cc1 916375995 RNKXJGUCCBYJON-UHFFFAOYSA-N 449.489 0.333 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 917723997 QLFXHIHOEZIYQS-UHFFFAOYSA-N 438.487 0.582 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2csc(COc3ccccc3)n2)c(=O)n(C)c1=O 918711238 SNZGFRGMLLEMCC-UHFFFAOYSA-N 446.514 0.757 50 20 ICGD Cn1c(SCC(=O)NNC(=O)c2cccc(Cl)c2)nnc1[C@H]1CCS(=O)(=O)C1 1317731674 BRKPWVBWDHTPDW-NSHDSACASA-N 443.938 0.924 50 20 ICGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc2c1=O 1319631068 NUCPHTHLVAOKTF-MRXNPFEDSA-N 448.483 0.926 50 20 ICGD CC(C)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779031817 YNOSHKVYXPVUNC-GCJKJVERSA-N 446.552 0.151 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210777 KKDIFZWLZQJGMH-JRYVEOFUSA-N 425.574 0.247 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=COCCC2)C1 1782251145 DOCYKHPCEQIDGZ-XMSQKQJNSA-N 443.504 0.507 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)c3ccccc3)CCO2)C1 1783871404 QORUQROLAXHLDK-UTKZUKDTSA-N 437.924 0.842 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1783935901 ZERKEKTUQHLMGX-HXUWFJFHSA-N 449.464 0.117 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccncc1Cl 1788857560 QIDIWDNLWGFURF-FNHZYXHNSA-N 443.696 0.322 50 20 ICGD C[C@H](CC(N)=O)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(=O)NN)cc2)CCC1 1789519974 VYZQHSHSFVKQEP-CYBMUJFWSA-N 438.488 0.944 50 20 ICGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]3C2)nn1C 1791059402 ZCQIFIKDTDOPPU-MNXVOIDGSA-N 429.315 0.805 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1791249210 FWUGCGIVXFOLQD-KSWRQPAISA-N 431.961 0.771 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C[C@@H]21 1791288528 AICCOGUWOJJBRW-IEZWGBDMSA-N 446.552 0.114 50 20 ICGD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cc1O 1792804596 HGJUVRFPDGKDKY-REPLKXPHSA-N 438.289 0.575 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2)[C@@H](O)CCl 1792980022 BQMCRHWNFXSITQ-RDGPPVDQSA-N 432.908 0.734 50 20 ICGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2)C(C)(C)C 1793196671 JSMONVQVFRVFMT-DJIJKHNZSA-N 432.359 0.910 50 20 ICGD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878343 VEZHKGFKQXLAFR-CRWXNKLISA-N 449.932 0.327 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnc(Cl)c1 1794502056 NREGCWDKWMTFJQ-CLLJXQQHSA-N 429.868 0.694 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795253870 GVGUBCFWIDVCHU-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOCC1)C2 1796892237 RAKYNONFMUQDHP-DPEPCVEMSA-N 444.536 0.481 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1ccc(F)cc1 1799034746 RYBTWPMNWUWMLI-UESRRSCYSA-N 441.887 0.998 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccc(F)cc3)CC1)C2 1801010519 ALRSJCGITCJJQQ-VPTLXERWSA-N 446.523 0.820 50 20 ICGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)CC(=O)N3)C2 1802335978 CPUJBMNTFIRYQB-BJWYYQGGSA-N 427.505 0.806 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369123 BAUURNABHKJPEM-AVRDEDQJSA-N 447.304 0.437 50 20 ICGD CCOCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374610 LUODBPFRHNZDQP-WIYYLYMNSA-N 425.294 0.508 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCCC2)[C@H]1c1cccnc1 1813071674 RZCWRIGJGIPVKF-XXBNENTESA-N 444.580 0.946 50 20 ICGD O=C(CCBr)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1816781122 DTUWNDWHJMGAGS-QWRGUYRKSA-N 441.286 0.785 50 20 ICGD CC(=O)N/C(C)=C/C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1824469134 QSSNMAWTZOULJE-KUCQQTCKSA-N 442.306 0.089 50 20 ICGD O=C(N[C@H]1CCc2nc(NC(=O)C(Cl)Cl)sc2C1)c1cc(=O)n2[nH]nnc2n1 1826098473 CHCYEWXUBUZIFB-YFKPBYRVSA-N 443.276 0.299 50 20 ICGD Cn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cc1O 1827056515 WANCNEBTRQVPQK-LJQANCHMSA-N 440.309 0.353 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1830534969 GLBWXGSBLNPBJX-IAQYHMDHSA-N 433.328 0.639 50 20 ICGD Cc1c(F)ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1N 1830722906 JBVCJZQEOXYBAD-HNAYVOBHSA-N 429.876 0.386 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723236 MPDNPONLCWBMCH-LPHOPBHVSA-N 431.316 0.939 50 20 ICGD O=C(c1n[nH]c2cccc(F)c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736071 REKRYSHITUGSHU-LIRRHRJNSA-N 440.859 0.372 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830772534 DQNKZCJKPCHPHE-ZQIUZPCESA-N 436.322 0.618 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273769 FAFLVKKGJQNQFC-QGZVFWFLSA-N 428.283 0.175 50 20 ICGD Cc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834145933 CDKIFONOVTWADF-UHFFFAOYSA-N 444.580 0.948 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cncs3)CC2)CC1 1834295550 MGCHDPFCAOWESN-UHFFFAOYSA-N 436.582 0.701 50 20 ICGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1834823368 QGQJGJYFVMOYGI-MRXNPFEDSA-N 447.717 0.985 50 20 ICGD O=C(CNc1ccc(F)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835577464 XEJBPANISTVNTA-LPHOPBHVSA-N 429.876 0.294 50 20 ICGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703401 PLNMPNDNMVGZHT-NSHDSACASA-N 428.331 0.217 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838640440 FXVIHSSVXLGZAM-DLBZAZTESA-N 433.292 0.076 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030239 GJUAOMROADNQGR-GUYCJALGSA-N 434.331 0.095 50 20 ICGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031881 FTXYLDAWIOBDJT-HWPZZCPQSA-N 447.355 0.887 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(O)n1 1840034429 KYGZLOYJABNEHI-SCLBCKFNSA-N 442.310 0.949 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1840069266 XZBZSTOPUFOSJS-DYESRHJHSA-N 440.924 0.602 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)(F)F)C2)C1 1840182604 OEWPTRJOCLJZIP-HXUWFJFHSA-N 448.511 0.497 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841353033 ZMKOVXSVDSCAGT-RDBSUJKOSA-N 431.917 0.017 50 20 ICGD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015360 HMIJIAGWXCRLRH-UHFFFAOYSA-N 441.224 0.473 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847261684 ZFLGCQLOEHEEOV-SUNZUTAHSA-N 426.477 0.181 50 20 ICGD O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 17194818 FLGBEAMULPRFNL-UHFFFAOYSA-N 441.469 0.782 50 20 ICGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 727064132 WLPRVUKRZQJOLR-UHFFFAOYSA-N 444.542 0.955 50 20 ICGD Cc1csc(=O)n1CCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728213496 CRVYGZZGNUJJFN-UHFFFAOYSA-N 439.563 0.688 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)n(C)c2)C1 730161453 GCQLBPAQAWHHFV-HUUCEWRRSA-N 446.595 0.552 50 20 ICGD Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730568849 FKLJFSJTPBSRBH-UHFFFAOYSA-N 441.517 0.583 50 20 ICGD O=C(NNC(=O)c1cc(Br)c[nH]1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686762 UOPJBIZVRZYNRS-CYBMUJFWSA-N 429.319 0.128 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2cnn(C)c2)s1 735512592 JDYKYAWEIRPAIN-UHFFFAOYSA-N 428.540 0.699 50 20 ICGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 745995779 BACFFACMMHFJSP-CYBMUJFWSA-N 441.466 0.069 50 20 ICGD CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 746013642 HKRDYJORUUSRKH-UHFFFAOYSA-N 425.511 0.998 50 20 ICGD NC(=O)c1nccnc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 746184067 ASTBTKKWIPPLIF-SFHVURJKSA-N 430.468 0.964 50 20 ICGD CCCN(CC)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746772161 YABSGWBAZPVKQZ-UHFFFAOYSA-N 441.554 0.383 50 20 ICGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc1OC 747318890 FYPNUBRSVBGKMY-QGZVFWFLSA-N 426.473 0.880 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 747596628 QCYNGMGJTNQBPS-UHFFFAOYSA-N 444.466 0.529 50 20 ICGD CN(CC(=O)NNc1nccn(C)c1=O)S(=O)(=O)c1ccc(Br)cc1 747938527 WZQIXASBLYIMJY-UHFFFAOYSA-N 430.284 0.307 50 20 ICGD CC(C)(CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)S(C)(=O)=O 748966602 MBWBGJGGEIXGEL-UHFFFAOYSA-N 425.555 0.352 50 20 ICGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 754142064 UJCOMOAXDOGQHS-UHFFFAOYSA-N 428.511 0.710 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 761290735 CJTNIVSVMJXLLM-UHFFFAOYSA-N 449.514 0.773 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cn1)NC1CCCC1 763782758 UNISZCUOKMUETR-UHFFFAOYSA-N 444.517 0.892 50 20 ICGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 763814993 YYFRCDRDMCSTBR-UHFFFAOYSA-N 433.428 0.557 50 20 ICGD O=C(CCSc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763903402 RIXYNUNIVMWDHL-UHFFFAOYSA-N 448.480 0.569 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 763956658 UTQDPDLAROCTNL-UHFFFAOYSA-N 429.864 0.984 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 764203530 MRNGKVRVICXNHU-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 764401018 SOVPHTSAGZIITR-VIFPVBQESA-N 432.246 0.676 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 764425030 MVHDTUGIKUFEBG-ZDUSSCGKSA-N 425.804 0.225 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764527739 SBYASSMEZIKEJZ-UHFFFAOYSA-N 426.477 0.440 50 20 ICGD Cc1c(Br)cc(C(=O)NNC(=O)CNC(=O)c2cccs2)c(=O)n1C 764806665 MKXQUEJFWJCYLD-UHFFFAOYSA-N 427.280 0.709 50 20 ICGD CCOc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)c1O 764813245 WDLADXCNBGWWPL-UHFFFAOYSA-N 434.840 0.342 50 20 ICGD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)OC 765368316 WUPLBXZZAGHCPZ-UHFFFAOYSA-N 443.526 0.889 50 20 ICGD COC(=O)C1=NOC2(CCN(CC(=O)NNC(=O)c3cc(Cl)ccc3OC)CC2)C1 771781245 VJRBMSOVPGJKME-UHFFFAOYSA-N 438.868 0.894 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1-c1cccc(C)c1 773530209 UIMSEQKJWSDSAK-CQSZACIVSA-N 447.517 0.654 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)[C@@H](C)O)cc1 779522533 UFJXFNQEBHSNJE-DYVFJYSZSA-N 445.501 0.413 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@H](C)O)cc1 779532017 QCNSAEFZRPMQQP-LIRRHRJNSA-N 445.501 0.061 50 20 ICGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 779843781 DCNPDMLKNQGWTC-UHFFFAOYSA-N 442.219 0.040 50 20 ICGD COC[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)OC 781395702 DSPSIEOQSSVJCP-HNNXBMFYSA-N 428.511 0.467 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782893638 KJQVWADDEGHGGM-UHFFFAOYSA-N 445.382 0.967 50 20 ICGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 782965723 IFVKCGQYUGQXGB-UHFFFAOYSA-N 427.383 0.670 50 20 ICGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)sc2c1CCCC2 784004463 OEYXEBKYAKMGFA-UHFFFAOYSA-N 448.457 0.522 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNc2ccnc(Br)c2)c1=O 784829178 YSEOAGCWSGCAPR-UHFFFAOYSA-N 438.238 0.651 50 20 ICGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCN(C(=O)COC(=O)/C(C#N)=C/C2CC2)CC1 786677605 IMVBYJDZLCFTGV-BEQMOXJMSA-N 440.456 0.464 50 20 ICGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789810894 SQAOQWRHZRBXQE-ZVZYQTTQSA-N 427.461 0.930 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C)n3)CC2)cc1 793221144 WEJVJNOPMPMUBN-UHFFFAOYSA-N 445.501 0.954 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2=O 794060848 PQZGXXJEZUSHCB-LHSJRXKWSA-N 445.476 0.561 50 20 ICGD CCOC(Cn1ncc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1N)OCC 794717599 QPAOQGHUMXMZPH-UHFFFAOYSA-N 440.526 0.872 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc2n1 799009470 ZGXSEYKXJDTFSQ-UONOGXRCSA-N 430.486 0.340 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCCC(=O)N3)c2)cc1 799518131 CBAIMBXOEOKWKL-QGZVFWFLSA-N 446.485 0.926 50 20 ICGD COc1cc(NC(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c(OC)cc1Cl 802081464 PRYDAENXNPGMAQ-UHFFFAOYSA-N 449.917 0.087 50 20 ICGD Cn1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc2ccccc2c1=O 803868631 JELDFDNQLIFLME-GOSISDBHSA-N 437.408 0.683 50 20 ICGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 812533764 FZKXIRWQVXGGDO-SJORKVTESA-N 440.566 0.367 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 812979555 BMJVIUUANIAUSE-UHFFFAOYSA-N 435.481 0.464 50 20 ICGD COCCN(CC(=O)NNC(=O)c1cccs1)c1c(O)nc(=O)n(CC(C)C)c1N 841534089 JAMDKOCIIYCWON-UHFFFAOYSA-N 438.510 0.163 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C(C)(C)C#N)N(S(C)(=O)=O)CC2 918319247 MJNVEEPYSXCOOW-CQSZACIVSA-N 438.506 0.650 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 1253200148 HZEHTSKLDLIVCG-MSOLQXFVSA-N 438.550 0.802 50 20 ICGD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)C1 1318132279 TWJSTLPMNJJKBK-CQSZACIVSA-N 429.502 0.641 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851022 SWQLLJWDHOAFIB-PJIJBLCYSA-N 427.885 0.874 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 1779371166 KDYWXYUVJIKOSL-ZLFGVDQTSA-N 441.532 0.859 50 20 ICGD CC1=C(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)CCO1 1779373495 WDLHIDYPSGPRQA-XMSQKQJNSA-N 443.504 0.507 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1ccco1)C2 1782170554 QOICANVVRAZBLC-YYFZDKIDSA-N 441.912 0.777 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632289 QAXWVUZLJKKPDM-ACJLOTCBSA-N 441.326 0.976 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1783933399 XRVWMTPURRDYSL-HSZRJFAPSA-N 441.532 0.694 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21 1784520469 RJKIUACTRLTKMH-RVFOSREFSA-N 443.393 0.883 50 20 ICGD COc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784915300 IFEFCUGIGUYDGT-NRFANRHFSA-N 436.484 0.651 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)COC3)C[C@@H]21 1787507133 KBSWGRAGMKKFNB-GLYSVQQSSA-N 431.493 0.137 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21 1791257124 PPUUPZDBHHQJAV-MXAVVETBSA-N 439.875 0.716 50 20 ICGD O=C1C[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)CCN1 1791656685 WXOVTISHAVSVAT-MRXNPFEDSA-N 435.289 0.640 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc2nncn2c1 1797463828 CNFPFEDAPIBVAB-ZMJPVWNMSA-N 426.246 0.623 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628130 RVDWKKHENFPEJH-FBKDDSFISA-N 429.319 0.083 50 20 ICGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl)N1CCN(C)CC1 1799276464 LUXCBNUVRQHIMQ-RUEZSYAVSA-N 435.396 0.448 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(=C/c1ccco1)NC(C)=O 1799687464 LEWWXMIIQAKKPN-LYLFPVJASA-N 439.896 0.600 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(F)(F)CC1)C2 1801010828 XJOXVOLUXOGCRC-JLVBRIDZSA-N 430.496 0.775 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1801011146 ICEHQBNJZYNKMD-PDOVQBKYSA-N 448.545 0.450 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1801012685 VRINTERDLRMXFH-FAQVEIGNSA-N 445.495 0.202 50 20 ICGD CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804078724 LQEPZMAMCZDYKZ-GHTZIAJQSA-N 439.321 0.896 50 20 ICGD CC(C)(O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363528 MEIPKMTXMRKXCX-PXNSSMCTSA-N 425.294 0.242 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364290 DRQMBEKPEGRWGX-JXFKEZNVSA-N 436.252 0.862 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374234 FXUUYJNSBDKSRG-YLJYHZDGSA-N 431.261 0.185 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 1810295007 PEVSVFOMIAWWIV-KBXCAEBGSA-N 434.460 0.437 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1810541317 SYTHTHWLQMRUCW-KXBFYZLASA-N 447.568 0.491 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1813027679 FVUKVVVTSJHAMO-HLLBOEOZSA-N 425.917 0.612 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1813073980 NCJYXPVQESFQKA-KKSFZXQISA-N 427.509 0.426 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815336810 FOKXSNBAQQNCOV-PZSREKOKSA-N 431.323 0.456 50 20 ICGD Cc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)cn1 1816288288 GPWYNIZIWBLSKN-GOSISDBHSA-N 434.265 0.808 50 20 ICGD CSCC[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1822439161 BGERJEHXXPVMHN-CABCVRRESA-N 440.570 0.889 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(O)nn1)CC2 1826004617 OQCSEUANQOYVPB-VHSXEESVSA-N 441.897 0.884 50 20 ICGD CC(=O)N(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085786 CTDVFNICTZZVGJ-YPMHNXCESA-N 438.554 0.295 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1830547024 ZEFOAWVODHCLSN-RDTXWAMCSA-N 443.342 0.830 50 20 ICGD COc1cc(F)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736838 BEWNSGQLJHBTRH-BEFAXECRSA-N 430.860 0.504 50 20 ICGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832357567 PKDSDAKMBSUKBW-VHFSOBRXSA-N 445.919 0.768 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376866 LGLQLCGDJKHLMR-CXAGYDPISA-N 443.298 0.426 50 20 ICGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc(O)cc1 1839167305 PKLLRKHGAXTNHE-JNAXZKDPSA-N 426.897 0.552 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839963491 MEABYJCJWKCIAD-CXAGYDPISA-N 429.315 0.664 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840033980 WJCSDVOCJBURJS-JKIFEVAISA-N 444.330 0.154 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1840150453 MMFUEYIEQJATHU-IFXJQAMLSA-N 445.875 0.553 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840155118 QEFPPXDJBYRCAW-KXBFYZLASA-N 428.869 0.422 50 20 ICGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840189555 YHYFBJNFIOXCFH-KSMMKXTCSA-N 448.347 0.648 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841764457 JPHHOHMAFZFTCS-KRWDZBQOSA-N 443.309 0.193 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)C2 1844263206 DWZQOLXWJBUSRC-QUCCMNQESA-N 449.511 0.798 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccnc3c2OCO3)C1 1844660628 DBHJNGFSAWTXGY-ZMOGYAJESA-N 438.444 0.761 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845223678 CAWQVRBFZFDRDM-ZIAGYGMSSA-N 433.933 0.719 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 25099957 NJGGTFSVYADXEV-UHFFFAOYSA-N 441.396 0.548 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)cc1 29514142 ZCQRUZSAGOAJLW-GFCCVEGCSA-N 428.449 0.603 50 20 ICGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 727065699 DSHKFZXGLGGRCY-UHFFFAOYSA-N 435.746 0.282 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1 729623679 OMLNONMPEMEBLR-HOTGVXAUSA-N 441.554 0.055 50 20 ICGD Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1S(=O)(=O)NCC#N 731183387 FVBCWVZTGLCSKD-UHFFFAOYSA-N 426.458 0.828 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2ccccc2F)c1 731366147 GFVYVAQBVIOJMY-UHFFFAOYSA-N 436.465 0.196 50 20 ICGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1 732261644 FGDFUXIUCXYEAP-HOTGVXAUSA-N 432.587 0.475 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCN2CCOC)nc1 732462486 DQDFYQXOHFEQRY-HNNXBMFYSA-N 428.559 0.849 50 20 ICGD O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)NNC(=O)c1ccc(F)cc1 738343011 JEQUQJTZRRTCEG-UHFFFAOYSA-N 443.483 0.036 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2)CCN1 740090956 BQCNNNZGRXULQS-UHFFFAOYSA-N 443.407 0.978 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 740850862 CJSFGSRFBCYMDV-MCIONIFRSA-N 426.539 0.345 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 740851302 YHCYNSRVSKJMAK-UHFFFAOYSA-N 436.490 0.824 50 20 ICGD C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744386699 OYGFVFOXCAOFIJ-QGZVFWFLSA-N 426.521 0.338 50 20 ICGD Cc1sc(=O)n(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1C 744621865 RVGSMLMHZFXODP-UHFFFAOYSA-N 426.520 0.691 50 20 ICGD CNC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cc1OC 744846908 OOVCMJWLRADXDN-UHFFFAOYSA-N 429.429 0.746 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)C(=O)N1CCCC1 748246211 HNZQUPWTXNNHTF-UHFFFAOYSA-N 436.534 0.564 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751201294 GYBMAMARRZYBKB-UHFFFAOYSA-N 426.426 0.296 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 755359016 JGVPASGKDGUEIV-CYBMUJFWSA-N 444.535 0.449 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(Cl)c2Cl)n(C)c1=O 755370390 LCVQMVGJLRDNAU-UHFFFAOYSA-N 440.247 0.593 50 20 ICGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 756294142 MGMFGYHQDSMRIH-UHFFFAOYSA-N 425.449 0.619 50 20 ICGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)co1 756396729 ZKZXKCJJCLUHFB-UHFFFAOYSA-N 445.837 0.468 50 20 ICGD COCC(=O)N[C@H](C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 758787826 WLCQYAQXRZIRGT-HNNXBMFYSA-N 429.518 0.409 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-n4ccnn4)cc3)cc2)CC1 760498843 VQBDIBXOQYSPIP-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COc1ccc(C(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1[N+](=O)[O-] 762878704 OHZMWLGOGSZCSR-UHFFFAOYSA-N 431.409 0.103 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccccn3)cc2)CC1 763466341 GPOVQULRAKHSCD-UHFFFAOYSA-N 438.488 0.188 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 763665269 RCDLYQBRNOCYJC-UHFFFAOYSA-N 442.472 0.983 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c(=O)n(-c2ccccc2)n1C 763681832 QXAXZAYDDUURPD-UHFFFAOYSA-N 441.419 0.788 50 20 ICGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)c1 764105614 WFSJWWVSJSYYGQ-UHFFFAOYSA-N 427.446 0.798 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n[nH]1 764105982 DOBNJMNAUPIATP-UHFFFAOYSA-N 448.505 0.601 50 20 ICGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 773525935 ZYPSXFSKARZZNG-UHFFFAOYSA-N 448.501 0.719 50 20 ICGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNc2ccc(Br)nc2)c1 784809152 MVVUQZRSUJLBAU-UHFFFAOYSA-N 432.231 0.712 50 20 ICGD CCCc1c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cnn1-c1cccc(C#N)c1 785994506 KKMMQZLEQKZOQY-UHFFFAOYSA-N 437.460 0.405 50 20 ICGD NS(=O)(=O)c1ccccc1NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 788230827 ZCROTOIZKMDCFC-UHFFFAOYSA-N 430.533 0.937 50 20 ICGD CCn1cccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1=O 789297992 GPKMCARIUQPOBA-UHFFFAOYSA-N 447.517 0.797 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797535942 SNFGUJIHKBSGSK-UHFFFAOYSA-N 431.880 0.896 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799668493 BADYQAQZINNQLS-UHFFFAOYSA-N 446.407 0.792 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 802058178 BUVDGAXPZSYANA-SUMWQHHRSA-N 436.490 0.884 50 20 ICGD COc1cccc(C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1O 806568729 XHPKXDRZBGDKAN-SNVBAGLBSA-N 428.389 0.167 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 806974886 XZHAOZGTDWWHPW-UHFFFAOYSA-N 439.428 0.099 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 815691858 CXUSXSBKAFBKGN-ZQDZILKHSA-N 426.481 0.493 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc(OC)c1C(C)C 815692556 UNTADVJVGGDMJZ-LBPRGKRZSA-N 430.465 0.767 50 20 ICGD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815693021 JMKHCGZBKVVUKN-GFCCVEGCSA-N 440.489 0.534 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817055058 KELBDTIRCLGOEC-LLVKDONJSA-N 432.549 0.809 50 20 ICGD O=C(COC(=O)CNS(=O)(=O)c1cccs1)NNC(=O)c1cccc(Cl)c1 915391923 ZEVCQUDOPTWFIN-UHFFFAOYSA-N 431.879 0.684 50 20 ICGD Cn1cccc1C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 919956024 RWALLMMHCHEHDV-UHFFFAOYSA-N 436.309 0.814 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(C(C)=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920381074 NWYFEJZAQHPWSK-HNNXBMFYSA-N 430.552 0.927 50 20 ICGD Cc1cc(CN2CCCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)no1 1321553777 BTMSKDICZGBCGY-UHFFFAOYSA-N 442.524 0.938 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCC(=O)N1CCC[C@@H](C)C1 1515054239 NGAYVMNMSMGRCA-CYBMUJFWSA-N 438.554 0.881 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccon1)C2 1779371033 IGAWRIQKYLBETO-OXQOHEQNSA-N 428.449 0.114 50 20 ICGD NC(=O)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1781760027 JOFCKHTWONBJFO-GUYCJALGSA-N 428.258 0.920 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1781905001 IVMAKISKCVDHCB-UHQDVWGKSA-N 430.343 0.810 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782208906 ABAIOVREXLUNJN-JBYIUTFZSA-N 448.568 0.406 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3O)C2)C1 1782399815 YPSBVEPYGWULMV-JOCHJYFZSA-N 444.488 0.955 50 20 ICGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)[S@@](=O)c1ccccc1 1782679647 VBRUKIMYBPFBOI-QKJNRDCMSA-N 428.938 0.612 50 20 ICGD O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Br)Cc1ccccc1)CCO2 1783565545 MYZYKBKMAUSONF-JXFKEZNVSA-N 449.301 0.911 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783752199 FNRCCORLYWFTEQ-RDTXWAMCSA-N 430.343 0.860 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1783808654 JNNLGIWXTBAZOQ-IECBHUPTSA-N 449.511 0.932 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccoc3cn1)CCO2 1783935545 VSHJWDUBHMZGJF-NRFANRHFSA-N 429.477 0.644 50 20 ICGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786730072 PABNJELOAHXRIV-AJNGGQMLSA-N 430.343 0.620 50 20 ICGD O=C(Cc1ccsc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787067264 ZVORKRFBNPVOAR-WDSOQIARSA-N 428.319 0.264 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2ccccc2)CC1 1792522598 AJGHBFSSXOVTHD-RMFSNUHRSA-N 434.301 0.301 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccsc1)C2)c1cccc(B(O)O)c1 1795738725 BBFWUWLGERMFGK-XEMDLRDOSA-N 428.319 0.264 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(C)(C)C)C2 1796439411 ARKYBIRTHQAIBI-SNOXVSQISA-N 433.509 0.525 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1796439562 LLWAZGDPBQMONW-XHPRPZMGSA-N 435.550 0.664 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2)[C@H](F)Br 1799350023 PTRRKFBLOBSQQY-XCCSTKFXSA-N 426.246 0.623 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1800638980 FGVXURLJTQTLTB-NWJSVONSSA-N 428.283 0.462 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801006542 DWWXZPAUNXINJI-VNTRCMCTSA-N 425.309 0.428 50 20 ICGD O=C(Cc1ccncc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807494581 ONYQMYZCASWZIZ-NZQKXSOJSA-N 444.300 0.719 50 20 ICGD Cn1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807514171 PPVSMJJZGDOOLE-GCJKJVERSA-N 447.304 0.057 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1)[C@@H](F)Br 1808675858 HNKQLKKNRMRJSS-BTFPBAQTSA-N 429.290 0.501 50 20 ICGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)N1C[C@H]2C[C@H]2C1 1809972527 PWAJFALOPOQVSG-YSIASYRMSA-N 439.365 0.551 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(=O)oc2)[C@H]1c1cccnc1 1813070280 GDLFMDNXMATMMT-KKSFZXQISA-N 441.488 0.727 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)cco2)[C@@H]1c1cccnc1 1813071687 UCEVBIAYUBNWQG-HRAATJIYSA-N 441.488 0.727 50 20 ICGD CC(=O)NC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815235659 VNDHDJFKMZCWGC-QGZVFWFLSA-N 441.297 0.310 50 20 ICGD Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cn1 1815354757 CFTNIQAJHDNHTB-OAHLLOKOSA-N 437.290 0.461 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249079 FPPKLRHNZZLKBD-JBLDHEPKSA-N 429.319 0.778 50 20 ICGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)Br)n[nH]1)C(=O)C(=O)O 1820937210 OGULRHULQAVLCQ-JOYOIKCWSA-N 448.249 0.635 50 20 ICGD C[C@@H](Br)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825641521 IJRPFKAPNILELG-HLTSFMKQSA-N 432.344 0.431 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)CC2 1826006548 JUANMIFRWHKBKH-BFHYXJOUSA-N 444.001 0.945 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051796 FTRZIHCKDZRRCB-OXQOHEQNSA-N 441.337 0.290 50 20 ICGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1ccnn1 1827060237 CLVOGBFNIFYSIT-OXJNMPFZSA-N 439.325 0.452 50 20 ICGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cc1O 1830245424 ZIOIMAJMULWTCO-IEBWSBKVSA-N 430.860 0.934 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1830363553 BULUNJOMQRJLJL-NRFANRHFSA-N 449.939 0.993 50 20 ICGD O=C(c1ccc(OC(F)F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725559 PURZCYSFXHPHAB-KDOFPFPSSA-N 449.838 0.353 50 20 ICGD CCOc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1O 1830732978 CSMPBHOPELDKRH-YWZLYKJASA-N 442.896 0.461 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831654078 IBUWGLRQMNOYMS-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD COc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n(C)n1 1833308316 ROHWHVDMUWBDMP-INIZCTEOSA-N 427.933 0.214 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833482175 BZYCYQJGPSUFHE-SWLSCSKDSA-N 425.954 0.773 50 20 ICGD CC(C)(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833582524 IRIMXKWLJFTJCE-DNVCBOLYSA-N 428.917 0.308 50 20 ICGD Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)c(=O)[nH]c1C 1833938280 JAIDELHLPXLWSK-INIZCTEOSA-N 439.944 0.172 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1nccs1 1834282624 YBWOEVKTAINWOP-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CC(C)(C)O)CC2)CC1 1834575858 MDBHOFCYVOFYBU-UHFFFAOYSA-N 425.574 0.092 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835370394 WMFDUNOFRNXHHF-WIYYLYMNSA-N 440.924 0.913 50 20 ICGD N[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)c1cccnc1 1835836738 UYKBYXOQSDOHFO-KBXCAEBGSA-N 431.320 0.732 50 20 ICGD CC(C)(CCl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1836623446 CSWHHDZQGTYDHJ-INIZCTEOSA-N 430.977 0.843 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837501608 NHFCYUBREGPTLG-QGPMSJSTSA-N 436.958 0.302 50 20 ICGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150927 CHBMIHGDCYLCPM-ZWKOTPCHSA-N 447.319 0.792 50 20 ICGD O=C(c1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197547 AQAIQBKQHBCRPP-XJKSGUPXSA-N 432.246 0.548 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839198464 DXPZNNRODDDLMV-BCUIYNNISA-N 425.295 0.540 50 20 ICGD O=C(c1cc(Cl)c(O)cc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839250816 MZEIPARGUZYTHB-CRAIPNDOSA-N 449.287 0.421 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839961737 GSCIAJIOLQMSDO-GUYCJALGSA-N 448.314 0.069 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840152491 JTWJWIVOACFGGW-FOIQADDNSA-N 436.896 0.658 50 20 ICGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840591113 LFVVQTGWIJDFDT-FRFSOERESA-N 437.306 0.950 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)COc2cc(Cl)ccn2)C1 1844351376 PPSWJVGKOOSHAC-UHFFFAOYSA-N 429.669 0.311 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)c2)C1 1845391998 JINJZUINAXJXMF-UHFFFAOYSA-N 443.548 0.713 50 20 ICGD COC(=O)[C@H](NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 15466238 XOOSBYVFMRDORD-GOSISDBHSA-N 433.486 0.856 50 20 ICGD NC(=O)c1ccc(SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 15794904 JDOXBWFXCRFPRY-CQSZACIVSA-N 432.414 0.773 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCCN1CCN(c2ccccc2)CC1 725870413 HLYMOEQKTQKIFE-UHFFFAOYSA-N 442.520 0.942 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1C 726278181 VCNCPIUUKWXHDL-QGZVFWFLSA-N 432.525 0.515 50 20 ICGD O=C(NNC(=O)c1cnn[nH]1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 729456048 OMNPTHGSKILRME-UHFFFAOYSA-N 444.429 0.452 50 20 ICGD Cc1cc(/C=C(/C#N)C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1C[C@H]1CCCO1 732157503 VRKUCNDLEWDNGU-DMMSUNFISA-N 443.548 0.756 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 740852000 GKBUWVLGMVPRCA-UHFFFAOYSA-N 432.449 0.471 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 743738221 XCRDSYZXRABVJL-UHFFFAOYSA-N 449.876 0.862 50 20 ICGD C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744633494 OGKNWKHPHWSBIK-UHFFFAOYSA-N 440.437 0.088 50 20 ICGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)CC1 746307577 YSEZVNUTQANBBQ-UHFFFAOYSA-N 435.481 0.139 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2C1 746385454 DLKXTYMSXVBZCP-ZBFHGGJFSA-N 434.562 0.815 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)Cn3nc(C)cc3C)C2=O)c1 747957330 ZGVCBAIGVCHYET-KRWDZBQOSA-N 430.465 0.653 50 20 ICGD CCOc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1OCC(=O)N1CCCCC1 748246583 MGSRHSZPDFBZMZ-UHFFFAOYSA-N 446.504 0.860 50 20 ICGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 748557122 CSQCFBMCQZKXER-UHFFFAOYSA-N 448.501 0.931 50 20 ICGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 749329865 HQFCUNDFABWQIU-UHFFFAOYSA-N 430.424 0.947 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 749776098 BFCGQBHUZHXMDC-UHFFFAOYSA-N 435.448 0.263 50 20 ICGD CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1F 751201333 HUVVYGOBXYIYST-UHFFFAOYSA-N 440.453 0.687 50 20 ICGD COc1ccccc1SCC(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756658780 MBVXYAUSVJUWME-UHFFFAOYSA-N 448.505 0.696 50 20 ICGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 761284136 YFHFZDVHSFUNCV-UHFFFAOYSA-N 436.446 0.376 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c(C)o1 763584296 ZIAAPJHPPIPFPQ-UHFFFAOYSA-N 445.457 0.885 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 763649920 MKRKCSHTYZPSOH-UHFFFAOYSA-N 448.501 0.518 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1C 763668041 XXWROLVQAIZCAO-UHFFFAOYSA-N 448.501 0.685 50 20 ICGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 763757154 FKVRHPMMUKMMFZ-UHFFFAOYSA-N 445.501 0.593 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 763771583 ISIIEEFMNBZVHT-UHFFFAOYSA-N 428.401 0.459 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 763808912 HSLGAFYKOOGTLH-UHFFFAOYSA-N 446.485 0.700 50 20 ICGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 764003306 BCXRZZAPOXWZLB-UHFFFAOYSA-N 426.429 0.997 50 20 ICGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)c2cnccn2)c1 764030082 AUAORBPIGHHHQC-UHFFFAOYSA-N 441.185 0.490 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c(O)c1 764108191 FPHQBPQAVREMLE-UHFFFAOYSA-N 432.458 0.640 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)c(O)c1 764109160 PPABSYIHCFUIEE-UHFFFAOYSA-N 427.461 0.991 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 764234391 XVJRUKPNIDURDH-GFCCVEGCSA-N 445.457 0.374 50 20 ICGD COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)CCc1ccccc1O 764287827 AQAUFSIDSBMAQJ-UHFFFAOYSA-N 445.428 0.915 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(O)c(Br)c2)n(C)c1=O 764813022 UAIFGDRDLDPQTC-UHFFFAOYSA-N 435.238 0.052 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CSc2ccccc2O)cc1 765403536 ORGPMLUAXJOREQ-UHFFFAOYSA-N 437.499 0.813 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C#N)CC(C)C3)CC2)cc1 766636952 VSJWACSAQPZJJD-UHFFFAOYSA-N 433.534 0.389 50 20 ICGD N#Cc1cc(Cl)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 768707892 RTFDKVQRONURCV-UHFFFAOYSA-N 434.865 0.484 50 20 ICGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1F 773477981 FQGJSJUAFVVMCR-LBPRGKRZSA-N 446.439 0.996 50 20 ICGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776054520 GQZMRRNWGMMQKY-LLVKDONJSA-N 443.507 0.803 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)nn1-c1ccccc1Cl 784004819 VRZZBSNMOCRKKS-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD Cc1cc(N2CCC(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)n[nH]1 784662085 LJLVOPSPMNPUQA-UHFFFAOYSA-N 449.537 0.581 50 20 ICGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)c1O 790054502 PKDCFVYZEZGLOR-UHFFFAOYSA-N 433.486 0.971 50 20 ICGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNc1nccc(N2CCOCC2)n1 792651168 ZHDOJMWCYVMLRB-KRWDZBQOSA-N 442.398 0.388 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 793213002 OQGUXEMOJNKGOB-JOCHJYFZSA-N 437.456 0.857 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 802720526 INAJGOPPFWYRFJ-OAHLLOKOSA-N 442.471 0.248 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 804029981 LLFJYPMZXUUYCH-UHFFFAOYSA-N 441.491 0.051 50 20 ICGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNc3nccnc3Cl)c3ccccc32)N1 807009797 RZZYJWCDEKMXSM-NWDGAFQWSA-N 430.852 0.609 50 20 ICGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 809983736 RMUXGCVXSIFSEL-AWEZNQCLSA-N 432.506 0.166 50 20 ICGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 814274223 XNLMRXHYAIRHQA-AWEZNQCLSA-N 435.510 0.058 50 20 ICGD O=C(CCn1ccccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915261843 ZXUYCBBDRDVYIW-UHFFFAOYSA-N 432.502 0.874 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 915925809 YDJQWSLWWPHXKC-QGZVFWFLSA-N 432.568 0.598 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccccc1 916096389 IXUQBIHOCZDGDT-UHFFFAOYSA-N 432.458 0.107 50 20 ICGD CCOC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916523657 NKMFERYESAUOTJ-UHFFFAOYSA-N 426.495 0.758 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2C1 916636221 VLDVLFUPFSHTCH-DGCLKSJQSA-N 442.563 0.510 50 20 ICGD O=C(NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)N[C@@H]1CCS(=O)(=O)C1 919887275 ZAPSTEIVRSKLGX-SECBINFHSA-N 432.384 0.417 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN(C)C)C2 1778091619 ZKTDUWZUQHEGKU-UPRBLEQPSA-N 446.552 0.586 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020699 CWAYIEITBVYPFN-KUHUBIRLSA-N 437.884 0.028 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)N1CCN(C)CC1 1781102191 JJMWGUREOXJYBA-ZYSHUDEJSA-N 435.396 0.689 50 20 ICGD Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1782056991 OQMYUYMWWHTABY-QHCPKHFHSA-N 433.273 0.304 50 20 ICGD CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)CCO2)C1 1783997605 ZOMQZVKAMZPSAS-ZUOKHONESA-N 435.433 0.999 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785872585 GIQHOOVFCJSWCD-ABHRYQDASA-N 426.311 0.762 50 20 ICGD C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979907 ZFYXIWGIYZKAPF-VMXMFDLUSA-N 426.322 0.728 50 20 ICGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)s1 1788610353 NHYSJZLQVRWMQJ-RCBQFDQVSA-N 444.517 0.357 50 20 ICGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1793455605 OBHCMNKTOPVVFY-FQLMCAECSA-N 426.901 0.254 50 20 ICGD O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795254057 NHPOITYMIUNEPB-UPHUGPLXSA-N 442.708 0.466 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795895729 WADTUQKSPBWWIB-JLZCTACVSA-N 449.907 0.481 50 20 ICGD CNCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)NC(=O)NCc1ccccc1)C2 1796041001 XXYKESSDIYINNG-ACDBMABISA-N 444.580 0.970 50 20 ICGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190907 AMDFXXRZKBYJHP-VDNDLQMASA-N 428.323 0.575 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)C1 1796369754 CPYAXEVXVDFZSX-XLWJZTARSA-N 449.907 0.746 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797863702 PMBSULVCKRIBSR-XGYYKPKNSA-N 437.928 0.592 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1798524908 PXFMRAFZOQXMCY-YPDSRZJSSA-N 447.444 0.494 50 20 ICGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799152232 VJBUURFFBBQCMM-ISIBIEBGSA-N 437.613 0.829 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccccc1 1800925308 IRFGAFYOOUBBAN-WWWUOXLMSA-N 449.511 0.692 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc3nccnc3c1N)C2 1800975540 QPODIDDSYNKEHS-LSCVPOLPSA-N 439.925 0.731 50 20 ICGD O=C(NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1804058288 PGLNFRFPYVDTJF-WKCHPHFGSA-N 449.316 0.438 50 20 ICGD CN1CCC[C@H]1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1806417884 ZJQGJYZCKOBUCF-SFHVURJKSA-N 428.537 0.624 50 20 ICGD N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)CC1 1806850741 BBRIXVHQHRBLRE-CRAIPNDOSA-N 433.472 0.703 50 20 ICGD C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807367190 XQZNRDDOVGXCCZ-BSIFCXSSSA-N 435.289 0.119 50 20 ICGD Cc1noc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807522105 RDMNZIDDVMHKPY-LAUBAEHRSA-N 449.276 0.015 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCO2)[C@@H]1c1cccnc1 1807697058 YRHXSOCYYJZIRX-IPELMVKDSA-N 438.488 0.579 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H](O)c3ccccc3)CC2)C1 1809976531 BCQPPOCNTAIKMF-OAQYLSRUSA-N 436.317 0.945 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(C)C 1809978634 FIHMSCNEBPWSLQ-HXUWFJFHSA-N 444.337 0.799 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cncn1 1813403775 QYKFEPMQBWPORO-MDYRTPRTSA-N 442.524 0.313 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCCCO1)CC2)c1ccc(B(O)O)cc1 1815335542 DRPCNLPCHIAPRL-ZBFHGGJFSA-N 429.307 0.618 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(F)nc1)CC2)c1ccc(B(O)O)cc1 1815344357 VIYXRPBALAPHRW-CQSZACIVSA-N 440.265 0.897 50 20 ICGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)C1(O)CCC1 1815347564 DGEKERVMCBEVBQ-SWLSCSKDSA-N 443.334 0.600 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccns1)CC2)c1cccc(B(O)O)c1 1815355635 XUMIDNZALWZWJB-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)Br)[nH]n1 1817296561 HQCLRLGMGRHTFB-MFKMUULPSA-N 430.282 0.932 50 20 ICGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1ccnc1 1817469724 DDFDXEUBYDADEC-KDOFPFPSSA-N 436.281 0.853 50 20 ICGD Cc1ncncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476938 ULARQSRUZNOQIK-GOSISDBHSA-N 434.265 0.808 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1ccc(O)nc1 1821481015 WCTZPDXNUAIGHO-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD C[C@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826080329 BIPRZLLRTSKJRE-ZIAGYGMSSA-N 447.565 0.961 50 20 ICGD O=C1C[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCN1 1827055304 UCMSWRTVBVJSBK-AZUAARDMSA-N 441.337 0.126 50 20 ICGD O=C(C(O)O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCN2C(=O)OCc1ccccc1 1829049093 FPLLYUJYHNOAFR-KUHUBIRLSA-N 443.859 0.284 50 20 ICGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1830000810 OFMKBAHFLRDBOU-IBGZPJMESA-N 446.386 0.960 50 20 ICGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830724179 WDLBIWRBCVQXOV-YLJYHZDGSA-N 426.897 0.294 50 20 ICGD O=C(Cc1ccc2c(c1)CCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735683 LONWZZWGOZRMIJ-UWJYYQICSA-N 438.908 0.220 50 20 ICGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831697165 QKGQWEPZESIQON-UGSOOPFHSA-N 448.358 0.389 50 20 ICGD CC[C@H](C)CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833394682 SARYTTXDJPFSHJ-KRWDZBQOSA-N 429.370 0.988 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)c1cccc(B(O)O)c1 1834800073 PKHFJWMGZSOOQB-KRWDZBQOSA-N 425.697 0.086 50 20 ICGD O=C(c1cnc2snnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838509205 AGRBUNCJBJOAAX-WBMJQRKESA-N 429.861 0.691 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1838784978 BZMMJPPSSCMTBQ-YOEHRIQHSA-N 429.945 0.765 50 20 ICGD CCOCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838789470 QCNZKMUMLKMPNX-UHFFFAOYSA-N 426.558 0.785 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839963438 KBFPOYRSNCQHFJ-XHDPSFHLSA-N 437.360 0.243 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840149639 WHKLPAAQBZLRNP-AUUYWEPGSA-N 427.885 0.876 50 20 ICGD Cn1ccc2c(O)ncc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c21 1843011658 BWBQNEQJMRTACW-UHFFFAOYSA-N 434.261 0.090 50 20 ICGD Cn1c(=O)c2c(CC(=O)N3CC4(CCCN4C(=O)[C@H](F)Cl)C3)csc2n(C)c1=O 1843365193 FFISFAHAXUEUNU-ZDUSSCGKSA-N 442.900 0.579 50 20 ICGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)[S@@](=O)c1ccccc1 1845775831 OGEAUQNOXFULAJ-RKXCMPKHSA-N 440.330 0.380 50 20 ICGD COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1846349630 CAHNDZUXRWQGAL-HUUCEWRRSA-N 443.504 0.482 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1846385855 DGNPKRGEAMOCRZ-HJPURHCSSA-N 439.516 0.473 50 20 ICGD CCn1c(-n2nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)cc2C)cccc1=O 1847560706 ZHMOOGIGCBIJRG-ULQDDVLXSA-N 447.923 0.777 50 20 ICGD COc1ccc2c(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3ccc(B(O)O)cc3)c[nH]c2c1 1847593782 NLMBXYLUOGSSKW-VXKWHMMOSA-N 447.300 0.914 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 10214259 KQRGSLKXKOIDDV-HNNXBMFYSA-N 439.515 0.090 50 20 ICGD CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16786220 BAHRLQFTTICLJJ-RNKCIKGZSA-N 439.578 0.926 50 20 ICGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)CNC(=O)c1cccs1 725902736 SZCAKJQVNFGFJA-UHFFFAOYSA-N 429.252 0.411 50 20 ICGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)c1cnn[nH]1 729457491 ODKNBEYSQVQSOM-SFHVURJKSA-N 433.428 0.079 50 20 ICGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cn1 729691806 BIHZUZFYEBJZPJ-HXUWFJFHSA-N 440.485 0.801 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(C)nn3CCO)n1 732332596 DHQFFVQUPSJAOH-UHFFFAOYSA-N 432.462 0.044 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)C1=O 733088157 KHRMKILJMMKVQW-UHFFFAOYSA-N 431.232 0.720 50 20 ICGD NC(=O)CSCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 735647044 RSWODGCOLBPDPD-UHFFFAOYSA-N 436.515 0.145 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1C 736788181 XKAFIULMPJYOAY-GFCCVEGCSA-N 431.536 0.737 50 20 ICGD CCn1nc(C(=O)NNC(=O)c2cc(C)c3c(O)nc(O)nc3n2)c2ccccc2c1=O 740749293 UFNPEJPQDPRGQH-UHFFFAOYSA-N 435.400 0.549 50 20 ICGD O=C(Cc1ccccc1)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620023 FDXHJRNZHIOWMM-UHFFFAOYSA-N 432.502 0.510 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 755657612 KXUIVOZLNGVEFA-UHFFFAOYSA-N 433.490 0.692 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc3c2oc(=O)n3C)cc1 756863084 FXRBAZFAFPGOKI-UHFFFAOYSA-N 432.458 0.522 50 20 ICGD CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763549293 WVNCOUFWGPRCCH-UHFFFAOYSA-N 448.457 0.503 50 20 ICGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2F)c2ccccc2O1 763568505 MIDPNRODQHXSRR-QGZVFWFLSA-N 428.420 0.907 50 20 ICGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 763804412 MWUNMHYPWFCNNC-UHFFFAOYSA-N 429.389 0.428 50 20 ICGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)cc1 763871067 DCVZEVFLOKYILB-CQSZACIVSA-N 440.456 0.731 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 763873851 ZKPIOCJSUZQLQJ-KDOFPFPSSA-N 443.460 0.818 50 20 ICGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)c2ccccc2O1 763891207 LTOHRENLOTXKAZ-QGZVFWFLSA-N 442.497 0.775 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1OCC(N)=O 763943015 YOKVTXQNAZWOLZ-UHFFFAOYSA-N 434.836 0.541 50 20 ICGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764005549 AHAYOFSHRUPJIJ-UHFFFAOYSA-N 428.401 0.491 50 20 ICGD Cc1ccc(COc2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)cc1 764233295 UOPKUURHSITZMJ-AWEZNQCLSA-N 448.501 0.598 50 20 ICGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2)C1 764296612 BSCINABRQHHBOZ-CYBMUJFWSA-N 448.505 0.159 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 764424288 HOUMZEFOVQAFQV-JTQLQIEISA-N 440.172 0.969 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(F)c3)CC2)cc1 765731673 LZSOOIGOCQBCKT-UHFFFAOYSA-N 434.493 0.902 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc(O)nc3)CC2)cc1OC 766248031 NWWJRBAZXQDLBM-UHFFFAOYSA-N 443.460 0.023 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c2ccccc2c1=O 767170760 RQQOWZSATYWGQX-INIZCTEOSA-N 426.477 0.811 50 20 ICGD CSCc1noc(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 767686584 BPZDLVUFQPVCGF-ZDUSSCGKSA-N 436.446 0.396 50 20 ICGD COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N)NC(=O)CC2 768239203 VVAGFNHMDDCUQK-UHFFFAOYSA-N 437.412 0.616 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCN(C)S(=O)(=O)c1cccs1 771945877 DMQFFDHZNPKWTE-UHFFFAOYSA-N 436.519 0.969 50 20 ICGD Cc1cn2c(=O)c(C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cnc2s1 772734254 FQQSJOQCRCSOSF-UHFFFAOYSA-N 449.514 0.842 50 20 ICGD CN1C(=O)C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)[C@H]1c1cccnc1 772883492 BASUWMRJZUJHCD-NVXWUHKLSA-N 429.864 0.718 50 20 ICGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)Cc1nc2ccccc2n1C 775213430 WFXBVZJIOANTHG-UHFFFAOYSA-N 430.490 0.602 50 20 ICGD COCCn1cc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O 776201615 KFQQBQQJMDOSLQ-UHFFFAOYSA-N 437.497 0.744 50 20 ICGD COCc1ccccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 778556351 KUGBLVDIYXNPHY-UHFFFAOYSA-N 427.504 0.707 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 780973938 KTCAZYKATYQECC-CQSZACIVSA-N 436.444 0.308 50 20 ICGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNc3ccc(F)cc3F)cn2)C[C@@H](C)O1 783340010 IMMBAXZSSFINKS-TXEJJXNPSA-N 436.419 0.879 50 20 ICGD CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783428733 WTCUCBCFQBTGAR-GOSISDBHSA-N 426.495 0.458 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 784003853 PYWHMLUZBHKNTM-UHFFFAOYSA-N 425.810 0.826 50 20 ICGD COc1cccc(NNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 784842705 VGCLXMRGBRBKPG-UHFFFAOYSA-N 442.476 0.234 50 20 ICGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 785024062 RNJGPOCCUDPGQC-UHFFFAOYSA-N 431.405 0.770 50 20 ICGD N#C/C(=C/C1CC1)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 786668766 IPRJFHBPIOHRSL-BOPFTXTBSA-N 433.486 0.727 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(Cl)cc1C(N)=O 793023349 OBXFLTQRWWLRCW-AWEZNQCLSA-N 448.819 0.373 50 20 ICGD COc1ccc(C(=O)NNC(=O)N2CCC(CS(N)(=O)=O)CC2)cc1Br 799926500 RXLNYOMIVGUXGV-UHFFFAOYSA-N 449.327 0.813 50 20 ICGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 800830609 DBBQUBNMQUHLFZ-CQSZACIVSA-N 430.490 0.988 50 20 ICGD CC#CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 801114591 FFCGETFVMZGDTR-UHFFFAOYSA-N 436.472 0.235 50 20 ICGD COC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 804125416 LZFQOVCAWLUZPO-JTQLQIEISA-N 440.400 0.347 50 20 ICGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1OCC(F)F 806976638 JKEHMKTXNWGBAA-MRVPVSSYSA-N 439.824 0.505 50 20 ICGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(C)cc2O)cc1 810172227 DGWQLBPIRWMKDT-UHFFFAOYSA-N 435.458 0.617 50 20 ICGD COC(=O)Cc1occc1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 810341718 PWRHGKYIPWVING-UHFFFAOYSA-N 436.490 0.688 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 812947892 ZOAMXQDBOHXCNL-UHFFFAOYSA-N 430.512 0.327 50 20 ICGD N#Cc1ccsc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 815563696 LILTVAYWNGPEMC-UHFFFAOYSA-N 426.502 0.918 50 20 ICGD COc1cc(C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)ccc1OC(C)C 816828786 OSEWYUNZJHWMHC-UHFFFAOYSA-N 431.453 0.161 50 20 ICGD C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)C[C@@H](C)O1 874090221 BPRRAPWERCRVEM-MCIONIFRSA-N 439.948 0.744 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 913025818 AZDRWZIBXKCGNB-UHFFFAOYSA-N 444.311 0.388 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 914602451 OUKNXJDJKGHUQK-UHFFFAOYSA-N 448.457 0.085 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)NCCN2CCOCC2)c2ccccc2c1=O 915884957 VXFOREMYRVBQIW-UHFFFAOYSA-N 430.509 0.863 50 20 ICGD O=C(NCc1cccc(CN2CCCC2=O)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 916415244 NTKFJRCNTTWMBD-UHFFFAOYSA-N 434.460 0.929 50 20 ICGD O=C(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 919525220 OTQFIZVXLOCMIF-UHFFFAOYSA-N 429.389 0.777 50 20 ICGD C[C@@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)NCc1ccccc1 919911902 WSNGQNJCBOBYTM-CYBMUJFWSA-N 432.506 0.629 50 20 ICGD O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778181289 PULVMUHHIVJFQR-LAUBAEHRSA-N 435.908 0.462 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CCC(O)CC2)C1 1782332521 LPFPJUBFFQTLHV-MMKHEFIASA-N 438.569 0.424 50 20 ICGD Cc1ccc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783689314 NXJUYHDOQQPVFY-NDXORKPFSA-N 440.280 0.721 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2)C1 1783867910 CIXPPWHKBJUOOR-KSMMKXTCSA-N 433.933 0.983 50 20 ICGD CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1785370727 NMFFLLLXAVNJMT-DNVCBOLYSA-N 431.917 0.285 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3noc4c3CCCC4)[C@H]2C1 1787306057 ZDTQCUWMCRVJJQ-ZVZYQTTQSA-N 447.536 0.520 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1793204414 JJTLGTFKYDDBTE-PKRADWSKSA-N 449.935 0.224 50 20 ICGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1793452240 UGFMUFWXDCUZMX-JTTNIQEDSA-N 433.933 0.827 50 20 ICGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N(CC)CC 1793461632 HNSUAHFTDNMCED-CLWJZODNSA-N 425.574 0.069 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1Cl 1795229897 HTIUFVDOKOSIIG-VPTLXERWSA-N 436.940 0.845 50 20 ICGD COc1cncc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1 1796188353 SPCUAQFPZSVDJD-ACDBMABISA-N 437.305 0.655 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc(-n2cncn2)c1 1796192972 GAVVSPYOUMJQRW-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc1F 1797752934 MXSYRBDJKOHZJI-CCWDJLKJSA-N 441.463 0.650 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1ncccn1)C2 1798440220 HQIMAKYTRQKDLS-BTTYYORXSA-N 441.517 0.519 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC13CCCN1CCC3)C2 1798441806 LMIYKROTFWVHKL-BJWYYQGGSA-N 440.548 0.955 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccnc2c1OCO2 1798473417 BRJIPGKWAGGNPT-INTNWOOBSA-N 430.230 0.704 50 20 ICGD C/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799098067 ZLNWBVKFDIDYIF-RHUZEMGXSA-N 443.548 0.888 50 20 ICGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1[N+](=O)[O-] 1799328200 IFILLGVBFBRPSL-CXHZTBPHSA-N 425.869 0.635 50 20 ICGD C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)Oc1ccccc1 1800344036 IYDAEFHJWWCGLJ-OVCNXMPXSA-N 446.548 0.807 50 20 ICGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)c(=O)nc1O 1801971540 RFPQTZUHAPVUJU-JPVZDGGYSA-N 447.319 0.083 50 20 ICGD CC(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1802654046 MZMQNPYUGRCKQB-NQIIRXRSSA-N 425.294 0.506 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803917820 SUBRKIUHJAAVAH-GQIGUUNPSA-N 448.907 0.656 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnsn2)[C@H]1c1cccnc1 1804998725 UJUTWFBWIGJHRH-KBXCAEBGSA-N 431.522 0.626 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccns1 1805217388 FYAUWKUMXOQIEQ-APWZRJJASA-N 436.302 0.851 50 20 ICGD Cc1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cn1 1805552923 SGXMVFJFRARWTB-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD Cc1c(C(=O)NC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)cnn1C 1805928634 GKRXLNJOTSWWJF-LAUBAEHRSA-N 441.536 0.816 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364298 PRCYAXIIYDOZLL-UWJYYQICSA-N 448.263 0.929 50 20 ICGD CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](Cl)COC)[C@H]1c1cccnc1 1810313115 ZCFHRIXVKUBHNV-ZOBUZTSGSA-N 441.985 0.825 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361531 IXEXFSBWTXGRJD-CHWSQXEVSA-N 437.714 0.303 50 20 ICGD O=C(Cc1ccncc1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822531315 HCJDPFKVVFMKSP-INIZCTEOSA-N 436.302 0.686 50 20 ICGD Cc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826087683 JJBOOYWVXWDUQV-GFCCVEGCSA-N 431.522 0.840 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnn3c1CCC3)CC2 1826089790 OHXGBLIUIWVYOD-GFCCVEGCSA-N 445.549 0.885 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826326451 DHPBVPNJSSFYOR-SQUSKLHYSA-N 442.321 0.719 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCOC3)sc2C1)c1cccc(B(O)O)c1 1828184825 MUMRUZPHNHLUBT-UKRRQHHQSA-N 429.307 0.475 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1830534811 CKVXONYFIKZRHT-SCLBCKFNSA-N 443.294 0.950 50 20 ICGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830535300 MCUVPPUGGBPSTB-KBXCAEBGSA-N 448.358 0.342 50 20 ICGD COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830719947 PHCJQJAEXFUQMT-YLJYHZDGSA-N 442.896 0.130 50 20 ICGD O=C(CSc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723824 QWHUMZIGBRBOFQ-APWZRJJASA-N 428.938 0.835 50 20 ICGD O=C(CS[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730567 BNKPTACBJNLVKT-LESCRADOSA-N 436.958 0.302 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304436 IRSSQKKVWSNIPT-MGPUTAFESA-N 438.912 0.658 50 20 ICGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819025 GPDAETFSQLAZOF-SFHVURJKSA-N 449.342 0.960 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cc(O)n1 1834821291 FLLJEXWSODJYPB-GOSISDBHSA-N 442.310 0.951 50 20 ICGD O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826680 TTYYZSXHMXAHSK-SFHVURJKSA-N 441.326 0.651 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840141 QEMKBSGTPJCZFC-MEDUHNTESA-N 447.355 0.826 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1837270856 BELJDGGTFJZVGX-HNNXBMFYSA-N 428.917 0.992 50 20 ICGD CC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837666014 OXWPDWCUXMPEIB-UHFFFAOYSA-N 445.520 0.667 50 20 ICGD CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(C)C 1837715269 GHWLLDRLAJXIQO-QUCCMNQESA-N 444.601 0.882 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839200158 GKDKSGJQCBNVMU-WWGRRREGSA-N 425.295 0.947 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839965538 BLTKQRYVJSGYQH-MAUKXSAKSA-N 442.310 0.564 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)nn1C 1840031642 XXIFDUBBCYACHR-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840032165 PKSOLJLVXQBUAD-BLLLJJGKSA-N 449.733 0.776 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840385708 RTBCJFFBPXDSTM-YJBOKZPZSA-N 443.342 0.903 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cc2)C1 1843447580 VYNLBHWNPBOGHV-UHFFFAOYSA-N 449.316 0.334 50 20 ICGD COc1ccc([C@H]2C[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847773464 BYVIAQFVCVBCOC-MLNNCEHLSA-N 434.301 0.994 50 20 ICGD CN[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C(=O)O 1848099606 OXDWTVGGCBFCHA-XUXIUFHCSA-N 446.932 0.383 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc3nsnc23)c1 19108046 JDUAGLSKKOAQLD-UHFFFAOYSA-N 441.516 0.565 50 20 ICGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2cccnc2)c1 728893833 VZWNERUJDQCISC-UHFFFAOYSA-N 426.882 0.663 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 728957479 WFLNVDVXFYYMTF-UHFFFAOYSA-N 448.461 0.280 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 730780468 WJHNAZJKSPVVFP-YOEHRIQHSA-N 433.461 0.900 50 20 ICGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNc1nc2ccccc2c(=O)n1C 733260643 AAFQNPIXPUQJHC-UHFFFAOYSA-N 434.460 0.768 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741185719 PCAIYUXITFIYFW-OAHLLOKOSA-N 444.513 0.943 50 20 ICGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 741376126 WXSRGCKRSVIOOA-UHFFFAOYSA-N 448.476 0.379 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 745919000 PYQUNNQGLCYNDA-HIFRSBDPSA-N 430.465 0.722 50 20 ICGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 747580222 GCQPJQZXWBQJKN-KRWDZBQOSA-N 440.508 0.250 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 748622626 BAHAXVBXJYZCTB-BZUAXINKSA-N 436.509 0.818 50 20 ICGD Cn1c(=O)c2cc(C(=O)NNc3nc(Br)cn4ccnc34)n(C)c2n(C)c1=O 750250546 UZZILQRXVXHJTR-UHFFFAOYSA-N 447.253 0.138 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 751289823 GAFRJFWFQQGVQZ-UHFFFAOYSA-N 442.497 0.629 50 20 ICGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)Cc1csc(N2CCOCC2)n1 755598190 GGUQZKQDDDRNKJ-UHFFFAOYSA-N 433.538 0.551 50 20 ICGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)C(=O)Nc1ccccn1 758820342 GGGIFPZGJWODRC-UHFFFAOYSA-N 446.217 0.226 50 20 ICGD O=C(NNC(=O)c1ccccn1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 763467755 SWWXIOKBKRLLJT-SFHVURJKSA-N 437.456 0.649 50 20 ICGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(F)c1 763529792 DAROJXZXXVOOEE-UHFFFAOYSA-N 438.463 0.996 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1nc(-c2nccn2C)cs1 763663557 VOOFTTDBRHXCMJ-UHFFFAOYSA-N 430.446 0.717 50 20 ICGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763826120 WMIZXAOXFMBJDT-UHFFFAOYSA-N 445.501 0.447 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 764164855 UMXZUBJXCCBZJX-AWEZNQCLSA-N 439.396 0.773 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CCc1ccco1 764176433 FDVXBOHNEIAJQH-UHFFFAOYSA-N 444.444 0.622 50 20 ICGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 764342825 KHZDLRIUHCKLLK-UHFFFAOYSA-N 436.428 0.526 50 20 ICGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cc12 764379389 XTKSGVAOEWRCIH-UHFFFAOYSA-N 432.343 0.420 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1NC(=O)OC(C)(C)C 764434529 QOOWTFGXSWKSIE-CQSZACIVSA-N 438.437 0.544 50 20 ICGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)COc1ccccc1F 764526385 YFXKCHUZVNPVSJ-UHFFFAOYSA-N 429.452 0.876 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 767369810 UMOOJNAYOFUNMD-UHFFFAOYSA-N 437.474 0.694 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 768276975 QOZUMCROMIQYIK-OAHLLOKOSA-N 444.467 0.158 50 20 ICGD CCC[C@@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 770749938 QQTPRTDSSIPFCX-LJQANCHMSA-N 427.523 0.339 50 20 ICGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770965238 IIWCMNNPXBMEBV-UHFFFAOYSA-N 429.503 0.074 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C1=O 772205577 BHKRZYYPFSSUPM-LRTDBIEQSA-N 448.476 0.587 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1cnn(Cc2nnc3n2CCCC3)c1 772636434 PRBCISBMJSBQMB-UHFFFAOYSA-N 448.447 0.975 50 20 ICGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CCCCS1(=O)=O 773393075 NCVCSRPXQZHEBK-KRWDZBQOSA-N 442.969 0.572 50 20 ICGD C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777777912 SNAHWSOOYOWNPA-GFCCVEGCSA-N 446.323 0.627 50 20 ICGD O=C(Cn1c(=O)cnc2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 777779525 ODCVGFNXZCNLGZ-UHFFFAOYSA-N 429.296 0.223 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 778433482 MMTSUWXQYSFKEX-KGLIPLIRSA-N 440.497 0.641 50 20 ICGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2S1(=O)=O 778438730 VZATVGQZLGPANN-UHFFFAOYSA-N 440.478 0.525 50 20 ICGD O=C(NCc1ccccc1CN1CC[C@H](O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 781834219 KNMLWLDLKSQYAA-PXNSSMCTSA-N 426.473 0.924 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC[C@H]2CCCO2)c1 784004825 WBVVOZJCZPJIMY-CQSZACIVSA-N 444.444 0.662 50 20 ICGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3NC(=O)O[C@@H]3C)c2)cc1 788630572 LEVJWNVFBZPALM-BDJLRTHQSA-N 448.457 0.754 50 20 ICGD Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789810893 SQAOQWRHZRBXQE-LESCRADOSA-N 427.461 0.930 50 20 ICGD CS(=O)(=O)Nc1cccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 792787101 LRHBWLYZGXVATJ-UHFFFAOYSA-N 449.489 0.815 50 20 ICGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1nnc(-c2ccccn2)s1 793939541 RZMIWHMQMWYKED-QGZVFWFLSA-N 431.478 0.659 50 20 ICGD CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 801139393 FCMTVSNYTBSDTG-BXKDBHETSA-N 436.943 0.673 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806973596 SMAYTBAHNNTHAA-UHFFFAOYSA-N 448.819 0.844 50 20 ICGD Cn1c(CC(=O)NNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)nc2ccccc21 807541716 SNSOUHQNISBTPL-CQSZACIVSA-N 428.415 0.709 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc2c1COC2=O 808937824 DRIZCEWDVSBQTR-UHFFFAOYSA-N 430.442 0.880 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)c2ccccc2c1=O 813364888 BTEAMMFBOAMYAM-INIZCTEOSA-N 431.493 0.481 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 813462631 ZSSQXPIOTUNQKB-UHFFFAOYSA-N 425.507 0.462 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=S)NC1CCC1 814191185 HWKJONITJNWHGB-UHFFFAOYSA-N 426.564 0.688 50 20 ICGD COCCNC(=O)Cn1cc(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1 814654050 FIYNKGBGSFWINU-UHFFFAOYSA-N 439.498 0.045 50 20 ICGD CC(=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814767180 WPBYKPBZGVOHRT-KFWWJZLASA-N 438.550 0.531 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCc3c2cnn3C)cc1 916604289 FOSNLELHPOPKAJ-INIZCTEOSA-N 434.522 0.757 50 20 ICGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(-n3cccn3)nn2)cc1 916648695 BQTPYNZHSPDNFH-UHFFFAOYSA-N 446.493 0.413 50 20 ICGD O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 917318639 WHKWQJDBZXSRNB-SJORKVTESA-N 441.396 0.307 50 20 ICGD CS(=O)(=O)Cc1ccccc1CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1319071771 JMPHEOXGTGYWBB-UHFFFAOYSA-N 439.515 0.779 50 20 ICGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=S)NCCc2cccs2)cc1 1338719714 IDYXMCGTDSKNCC-LBPRGKRZSA-N 442.588 0.759 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 1340986803 GSORLPNSANRBKP-CQSZACIVSA-N 443.526 0.801 50 20 ICGD Cc1cc(NC(=O)CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)no1 1778071518 QEQGWDOMHCESQO-PJIJBLCYSA-N 442.900 0.425 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncncc4c3)C2)C1 1778599801 PCLKPABELJXLLF-HSZRJFAPSA-N 446.272 0.067 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778853495 JPEDQYNMAXIIQQ-ZBEGNZNMSA-N 429.319 0.323 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Cl)o3)CCO2)C1 1779030252 LXMHNAKTDDQZAI-IBGZPJMESA-N 433.852 0.689 50 20 ICGD O=C(c1cc2ncccn2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332172 VHICSKFIJXQMQH-CJNGLKHVSA-N 426.246 0.863 50 20 ICGD C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783539999 MIBWPRLLEKKXDC-IHPCNDPISA-N 428.338 0.952 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783884127 QNHNUMXASXHJGS-GHPQCZBBSA-N 440.880 0.900 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccn(C)c13)CCO2 1783934866 NDYLAUTZLRKXHN-HSZRJFAPSA-N 441.532 0.995 50 20 ICGD C[C@@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c21 1783935507 UUCXEDUSXVIXBK-SZNDQCEHSA-N 432.525 0.276 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H]3C3CC3)[C@H]2C1 1783941872 VCYDBMLBAYSHRE-XYNXIRJESA-N 427.505 0.325 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131956 AJSRMKCLPPQUEB-WWNQUIFASA-N 445.520 0.501 50 20 ICGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc(C)c1O 1784993222 AWNCSDGKUDRDKT-HSZRJFAPSA-N 438.289 0.446 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccc1[N+](=O)[O-] 1785178879 SAYBDKZEGVRRTH-KBXCAEBGSA-N 427.841 0.647 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1785692416 ZIRGLOXQXLIVLB-SFTDATJTSA-N 434.248 0.556 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCSC3)[C@H]2C1 1792199251 PLLIUFFLCBQDAD-USJZOSNVSA-N 447.561 0.422 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1793369337 DBLVLLNCNOUWGE-CQUYNDQOSA-N 429.366 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(F)(F)F)(C1)C2 1793477787 YLCPCMRVBFEPFP-HHFGRBCNSA-N 446.470 0.682 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNc2ccccc21 1795624686 HCPZNPJIBFUQIO-KJOVKWNASA-N 429.521 0.158 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnnc2ccccc12 1796188969 GZUUQRSMKIKCMP-BCDXTJNWSA-N 430.273 0.875 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2 1796440641 WHLHGMKWRGKHIN-FFZFCVPESA-N 438.488 0.348 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ncn1 1798997172 VAENZUVXPXTWPM-ZSBIGDGJSA-N 429.868 0.694 50 20 ICGD Cc1cc(F)c(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799808275 JGAZDKIJNXZFLG-YVWYUNDQSA-N 444.243 0.470 50 20 ICGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc2c[nH]nc12 1799919330 NQHVSINUURSQQU-UPHUGPLXSA-N 442.520 0.448 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364114 RZKIYLJOMXGTIG-DENIHFKCSA-N 445.288 0.114 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)cco3)C2)CC1 1808878869 UUZHVMOWQQWMNN-UHFFFAOYSA-N 439.472 0.797 50 20 ICGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810179101 UQOQAGRQIRJJLI-OUCADQQQSA-N 437.802 0.793 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2C=CS[C@@H]21 1812383074 MPFJWFOVDJNAPI-YNWKUBOOSA-N 449.341 0.956 50 20 ICGD C[Si](C)(C)OCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360880 QFDAZTZRLGRASW-CQSZACIVSA-N 447.398 0.900 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598584 FIDNXSSVROYGST-GXSJLCMTSA-N 441.286 0.737 50 20 ICGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)C1(O)CCC1 1817475304 NDDCUEXLKZPIQG-KBXCAEBGSA-N 440.309 0.947 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1 1822412023 IIFMBQVXKVIISX-AWEZNQCLSA-N 435.485 0.227 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)C(Cl)Cl 1822419776 FUOOUUDLJAFIKI-VIFPVBQESA-N 440.251 0.645 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)n(C)n2)CC1 1825460125 GPXHOMPWLIVSQM-QGZVFWFLSA-N 434.541 0.732 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826379276 HUKFNCMBMSLYHA-SFHVURJKSA-N 445.520 0.872 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829824024 LOMXUJNBKMIAEE-IEBWSBKVSA-N 426.542 0.621 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)nn1 1830364681 PEPNVKJCPMMEDR-IBGZPJMESA-N 426.901 0.820 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1830537400 GTAHRKOFONOTDQ-SCLBCKFNSA-N 443.294 0.741 50 20 ICGD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733760 SOOYUJHTXLFARJ-KSSFIOAISA-N 449.287 0.421 50 20 ICGD Cc1cn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)c(=O)nc1O 1832771902 JHLPUNZTDWDDBF-HOTGVXAUSA-N 440.928 0.477 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849911 NTSDDPWXNXQZDW-MEDUHNTESA-N 431.287 0.216 50 20 ICGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@](C)(Cl)CCl)C3)C2)c1 1836199611 BTZIXLGOOCCJCR-MSOLQXFVSA-N 433.336 0.884 50 20 ICGD CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1836333938 QHGMXYVGRLPGNF-YLJYHZDGSA-N 442.944 0.288 50 20 ICGD NC(=O)c1ncccc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836715335 PZWUEBSSSCANAB-MRXNPFEDSA-N 438.912 0.392 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cn(C)cn3)CC2)CC1 1837551815 ZMRGKRKSYJMKDQ-UHFFFAOYSA-N 434.541 0.405 50 20 ICGD O=C(c1ccc(C(F)(F)F)[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837762564 YYCJSAAVRREKEF-WBMJQRKESA-N 439.818 0.703 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839068002 OHMSJTVJBIQALZ-GJYPPUQNSA-N 446.386 0.958 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839151676 APCZOGCMKPEKMG-DLBZAZTESA-N 449.291 0.194 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839196966 AWLCYGAMAMCRFJ-HEHGZKQESA-N 438.294 0.048 50 20 ICGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198735 NGPJVQKSEJHJIC-WBVHZDCISA-N 448.289 0.981 50 20 ICGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)nn1 1839200382 JLFKEIZIAGZWLS-XJKSGUPXSA-N 447.261 0.246 50 20 ICGD C[C@H](Oc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839949969 SQMFJRJNHKHZGO-RIFZZMRRSA-N 426.897 0.510 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839966330 AZEYEAXAPGBMNX-IFIJOSMWSA-N 434.331 0.141 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)cc(O)n1 1840032908 NFWLGUVDCQJJLN-FZKQIMNGSA-N 442.310 0.949 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840149853 BYVPBLPCIVQOQV-SCLBCKFNSA-N 430.889 0.064 50 20 ICGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)cn1 1840151017 UZJVTBAICKXKKY-KUHUBIRLSA-N 442.900 0.199 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1840927628 QDSGVDNAVJIVLG-IBGZPJMESA-N 446.386 0.960 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845170448 RTUNBRLVSBBCJC-OAHLLOKOSA-N 426.366 0.852 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)NC1CC1 9889697 SBBNEEJTQRGFRP-UHFFFAOYSA-N 442.497 0.473 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 15524962 AQDDBZMZQRJPLU-UHFFFAOYSA-N 434.430 0.691 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n(C)c1=O 730570851 MFTFMPSUFDOYKH-UHFFFAOYSA-N 439.881 0.536 50 20 ICGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3F)CC2)cn1C 731328906 ONVBGGFTSXVWLW-UHFFFAOYSA-N 437.497 0.658 50 20 ICGD NC(=O)Cn1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn1 742497140 QOKAGZYFIKIQQA-UHFFFAOYSA-N 430.428 0.691 50 20 ICGD COc1ccc(C(=O)NNC(=O)CSc2nnc([C@H]3CCCCO3)n2N)cc1OC 743454622 CXICSBBCJRZWTP-CYBMUJFWSA-N 436.494 0.804 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1cccc(OCC(N)=O)c1 745899628 OESTZKZDHBTUSG-UHFFFAOYSA-N 448.505 0.296 50 20 ICGD NC(=O)CC[C@H](C(=O)NNC(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O 746167550 UILQHHYIUIAIGA-OAHLLOKOSA-N 443.485 0.551 50 20 ICGD CS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 749115658 AAUASHREJWLKRK-SECBINFHSA-N 439.309 0.048 50 20 ICGD Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 751268965 IFUKDYZAPJIBNO-UHFFFAOYSA-N 430.435 0.859 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1OC 752020404 PSBGSXGMYPNRMN-RBZFPXEDSA-N 433.465 0.758 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(-n3nccn3)nc2)cc1 755947328 GVEROJZEYJQEKJ-UHFFFAOYSA-N 444.477 0.444 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 756094178 JDEVKIKWFHXPQG-LNMJFAINSA-N 426.473 0.820 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C(N)=O)c(C)c2)cc1 756400931 LJUKJYWDUUBEAL-UHFFFAOYSA-N 433.490 0.876 50 20 ICGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1nn(-c3ccccc3)cc1O)CC2 757778599 WGQQKSLQXLXMLA-LBPRGKRZSA-N 426.437 0.275 50 20 ICGD CC(=O)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)Oc2ccccc21 758534563 IIAIPNWWEIUZCQ-HNNXBMFYSA-N 446.323 0.627 50 20 ICGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763575432 UVJNDARGQKCNIZ-QGZVFWFLSA-N 426.429 0.671 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cc1 763674683 PDBBLJPBAVFMGT-UHFFFAOYSA-N 449.423 0.767 50 20 ICGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 763718409 LFHOWOXXNRTDAM-UHFFFAOYSA-N 435.462 0.049 50 20 ICGD COc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cccc1C(N)=O 763849792 NAQKACXPGMWZCX-CYBMUJFWSA-N 428.445 0.964 50 20 ICGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)cc2)CC1 763880647 IXWBGCWMRSIGRS-UHFFFAOYSA-N 427.509 0.428 50 20 ICGD CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 763995818 ABKWOIKGWOVOED-LBPRGKRZSA-N 440.478 0.412 50 20 ICGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764006208 MBYGQPNHRUKHMJ-UHFFFAOYSA-N 433.442 0.569 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)n[nH]2)cc1 764110826 LRFRQDUAPFTFDQ-UHFFFAOYSA-N 436.428 0.649 50 20 ICGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 764167439 JZUZCGGVNAUWDN-GOSISDBHSA-N 443.423 0.905 50 20 ICGD CCOCCCn1c(NNC(=O)c2ccc(S(N)(=O)=O)nc2)nc2ccccc2c1=O 764235051 BJGNOCKJIFOUCR-UHFFFAOYSA-N 446.489 0.622 50 20 ICGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3c[nH]nc3C)c2)cn1 764297597 CZXCCJIFPXJTMD-UHFFFAOYSA-N 437.416 0.774 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 764398110 CUSXJSDKNNWQIW-LBPRGKRZSA-N 439.419 0.655 50 20 ICGD CCn1nc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)ccc1=O 766659927 JSMOJZCGOCKSSC-UHFFFAOYSA-N 432.912 0.495 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772161292 HMUQTXWRKVCZJJ-OLZOCXBDSA-N 438.506 0.629 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)Nc3ccc(F)cn3)cc2)CC1 773663129 TYASVZJVIZGVPG-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 776257964 JPYJWYRDCJXMSS-UHFFFAOYSA-N 425.511 0.284 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778440579 JXBPNFSSELWVBP-HXUWFJFHSA-N 449.464 0.134 50 20 ICGD O=C(NNc1cncc(Cl)n1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 783265116 DRFCJUMDHLACPR-UHFFFAOYSA-N 428.833 0.792 50 20 ICGD O=C(NN=c1cc[nH]cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 783376310 MUMCQVFZFJUGCN-UHFFFAOYSA-N 439.881 0.260 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCS(=O)(=O)C1 783424534 FHJNSWNCPNPLQD-CQSZACIVSA-N 427.376 0.903 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784261945 CCDVQBSPIMVWHD-CQSZACIVSA-N 430.490 0.395 50 20 ICGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)cn1 784825602 YEMRGLIFNGGVFH-UHFFFAOYSA-N 441.414 0.662 50 20 ICGD Cc1cc(I)ccc1NC(=O)C(=O)NNc1nccn(C)c1=O 785089775 GDLUQKRQWHQORD-UHFFFAOYSA-N 427.202 0.775 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1OC 787540603 BGTNQKOMGBJSMZ-UHFFFAOYSA-N 441.444 0.942 50 20 ICGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2cccc3ccccc23)c1 793024213 BWXCSKXZCOTVCB-UHFFFAOYSA-N 447.451 0.797 50 20 ICGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)NCCc2cccs2)c1 795302380 OVARNIBTVLXGCU-UHFFFAOYSA-N 426.520 0.860 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(Br)c[nH]2)nc1 797652643 MBWWKEWIMMKFJD-UHFFFAOYSA-N 431.272 0.889 50 20 ICGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307405 SHAUHKKESUEEFI-KRWDZBQOSA-N 436.476 0.678 50 20 ICGD COc1cc2ncn(CCCC(=O)NNC(=O)N=c3cc[nH]cc3)c(=O)c2cc1OC 802033975 VOCUXFFJAWZNFX-UHFFFAOYSA-N 426.433 0.864 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 802067675 JUVKMVIWOZNKMT-UHFFFAOYSA-N 440.503 0.855 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)c1 809957778 YBUDNINETNOQFK-CQSZACIVSA-N 434.522 0.412 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NNc1nccc(N2CCOCC2)n1 810558572 BEJBPNVRQXNAPI-UHFFFAOYSA-N 442.501 0.888 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 815692473 RSCOZCWUXHRTLG-LLVKDONJSA-N 428.840 0.466 50 20 ICGD O=C(NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)[C@@H]1CCS(=O)(=O)C1 821135928 WLJAOXKEXRHEFJ-MRVPVSSYSA-N 441.314 0.344 50 20 ICGD Cc1ccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 825600167 ATYCGGDGYKYLNG-UHFFFAOYSA-N 435.506 0.228 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cccn3)nc2)cc1OC 825832448 RJHRWXQTJGIKAC-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COc1ccc(N2C[C@H](C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)CC2=O)cc1 912988369 OWDRQNDJIRXRIS-CYBMUJFWSA-N 435.440 0.756 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3COc4ccccc4C3)nc2)CC1 916636118 VXNVQUCSUQGUST-INIZCTEOSA-N 446.533 0.648 50 20 ICGD COc1ccc(COCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 917300186 WSJQFWRHIFATBU-SFHVURJKSA-N 430.413 0.742 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2O)cc1[C@]1(C)NC(=O)NC1=O 917753753 ORRZTQMXSNBETJ-IBGZPJMESA-N 448.457 0.387 50 20 ICGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919839251 GJNBBXCNPJPTTO-CYBMUJFWSA-N 435.462 0.795 50 20 ICGD O=C(CCCc1nc(-c2ccc(F)cc2)no1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883495 AYDQLCQIFVXBTR-CYBMUJFWSA-N 425.442 0.716 50 20 ICGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)ccc1F 920309311 CIRUYWUYHBVUOU-UHFFFAOYSA-N 440.272 0.943 50 20 ICGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNc2cccc(OC)c2)cc1 1317742404 LQHLYNMQASNVNK-UHFFFAOYSA-N 436.490 0.632 50 20 ICGD O=C(NNC(=O)N1CCC(OC[C@@H]2CCOC2)CC1)c1csc(N2CCOCC2)n1 1320031724 ZLYJYYBBLYKQDA-CQSZACIVSA-N 439.538 0.852 50 20 ICGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](F)Cl)C3)CC1 1778907756 GPSBEPLEKDCQPP-HHXXYDBFSA-N 432.924 0.199 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc31)CCO2 1779034838 VICTZIZZNUECIH-CYFREDJKSA-N 449.511 0.859 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780451095 KSJJLUPTRQCOKU-YJYMSZOUSA-N 427.885 0.796 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)C1 1780820395 GKZVBOFQPPREKA-OAQYLSRUSA-N 430.216 0.402 50 20 ICGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)N1CCN(C)CC1 1781102389 NONCMSLBRZOKBA-RVKKMQEKSA-N 431.375 0.236 50 20 ICGD O=C(c1ccc2ncnn2c1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331017 CVHFMRKPYIGQSI-XJKSGUPXSA-N 426.246 0.863 50 20 ICGD Cc1ccn(C)c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212284 PDVRPMILYREDKJ-VGOFRKELSA-N 433.553 0.834 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nc4ccccc4o3)C2)C1 1782233579 HYCFESNPYWQFRD-QFIPXVFZSA-N 435.245 0.265 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3sc4nccnc4c3N)CCO2)C1 1783874653 ABJUEOPTZYAHCM-ZMZPIMSZSA-N 439.925 0.971 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1784615967 VUBPDLXHOXGSEP-XUXIUFHCSA-N 425.850 0.098 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785872587 GIQHOOVFCJSWCD-OSFYFWSMSA-N 426.311 0.762 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CBr)C[C@@H]21 1787405624 RFKCWOAMNHPVEM-YHQUGGNUSA-N 433.347 0.444 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1789866862 QCWDVAHQKGVFIU-JHZZJYKESA-N 433.933 0.827 50 20 ICGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](F)Cl)C[C@@H]43)cc2C1 1790523635 LUVQNPACQUWPCU-CSFVBSKPSA-N 427.908 0.846 50 20 ICGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791287391 PTABUFYOGKQLFB-FPTLTGCRSA-N 439.278 0.272 50 20 ICGD COC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccccc1 1792800319 FILFCZGAMPXSGL-ZHCJQAHYSA-N 439.896 0.273 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)C1 1792964235 RDLKQVQAQKCVAE-IPVBOJNNSA-N 431.327 0.950 50 20 ICGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795347459 ADQQKRYTAYTNQC-RVMXOQNASA-N 438.326 0.909 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(C)c1 1796663284 WQRXMNUYLZMLIY-KXJDEQQPSA-N 426.477 0.660 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2[nH]1 1796821318 UVOFEKYCVITVJR-IVWMJMPLSA-N 449.471 0.078 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1799277269 VJJYWNBICHFGRS-ZYYNGRNUSA-N 431.276 0.614 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2)[C@@H](F)Br 1799349905 NJWKLWVKUYMQMS-RDBQEKCUSA-N 426.246 0.623 50 20 ICGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1800644518 YJCHRKICWDPVQW-XFMPKHEZSA-N 426.311 0.971 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1c1ccccc1)C2 1801012260 RKTJRXXRRULRTA-PQTWGXLHSA-N 428.533 0.753 50 20 ICGD C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012951 OFICNRYXENFCAK-YDGKCNFYSA-N 448.539 0.967 50 20 ICGD CC(C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803234794 JBVSTXZOKWBBMF-MNEFBYGVSA-N 440.504 0.417 50 20 ICGD CCOCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367877 OFLCGLJMLVLVMS-RXVVDRJESA-N 425.294 0.508 50 20 ICGD CC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1808259384 HVOBZOAWURXBTR-WWGRRREGSA-N 444.883 0.545 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnn4ncccc34)CC2)C1 1809967125 XBVHLPUALWHXRV-UHFFFAOYSA-N 447.304 0.568 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813028043 JDADHWFXNOEVAX-FTRWYGJKSA-N 448.907 0.656 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)n[nH]1 1813074501 TWGQZPDYAQLGRJ-VGSWGCGISA-N 441.536 0.735 50 20 ICGD O=C(CCc1cnc[nH]1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815824380 NDIOBVLNIDFVML-SFHVURJKSA-N 436.281 0.751 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471767 ZUWNMJUSGBNXAH-MRXNPFEDSA-N 428.254 0.349 50 20 ICGD Cc1nc[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819796767 FDEJGOHGIQGLBM-SNVBAGLBSA-N 440.489 0.713 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cnn(C)c1)CC2 1826092011 ILSKRERJHNYTAR-ZDUSSCGKSA-N 433.538 0.404 50 20 ICGD O=C(CCCc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727050 ZWQGJYLQCIMZOX-FXAWDEMLSA-N 425.913 0.460 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831108235 RVWGADBLBCUWDO-SFHVURJKSA-N 446.552 0.236 50 20 ICGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cnn1C 1834420383 DLXUNMVMENQHPC-FZKQIMNGSA-N 443.342 0.830 50 20 ICGD O=C(CCBr)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1834423255 MMXPHSKWXGBLQT-HOTGVXAUSA-N 431.375 0.066 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)O)CC2)CC1 1835117987 DLSDMHDBFFEGFV-LZCVXGSNSA-N 432.525 0.073 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064484 QMDXPVRNNNVWCU-YJBOKZPZSA-N 443.342 0.593 50 20 ICGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)C1 1839063988 LGVVLQRZBOKYCS-CRAIPNDOSA-N 432.359 0.570 50 20 ICGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839198914 FQONNOOKOAXJCG-ZFWWWQNUSA-N 435.250 0.067 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652329 ZZNRPHYDSDPDMW-KXBFYZLASA-N 426.901 0.589 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840032536 BRPCQDXZHMAZFD-IINYFYTJSA-N 443.241 0.336 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840149641 WHKLPAAQBZLRNP-KUHUBIRLSA-N 427.885 0.876 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(Cl)n3)C2)C1 1840150226 HZWJSRNOXWWYPE-KXBFYZLASA-N 446.331 0.988 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1 1841214142 UHCIXFWYATTXJT-UHFFFAOYSA-N 447.451 0.922 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cn(C(C)(C)C)nn2)C1 1844804369 RTGPNNKPXWWHQG-OEAKJJBVSA-N 440.508 0.984 50 20 ICGD CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847564283 SQJSJUOLWFMIMU-WFTHSTBKSA-N 431.917 0.160 50 20 ICGD Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=O)C(=O)NC1CC1 10214608 VQHGVNPRUAOYNM-UHFFFAOYSA-N 434.449 0.975 50 20 ICGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)CNc3ccc(C)cc3)cc2S1(=O)=O 728204580 XZZNRHPLGFCWAI-UHFFFAOYSA-N 446.485 0.659 50 20 ICGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(OC(F)F)c1 728609728 RBCDKVQJLBQBKS-CQSZACIVSA-N 426.420 0.230 50 20 ICGD CC(C)COC(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728962120 ZIPCUNVRAXWXDM-UHFFFAOYSA-N 433.513 0.844 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 731186772 TYUPAHRNAONCSL-UHFFFAOYSA-N 432.458 0.646 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732474924 ZGGDMDUVVNZERJ-QGZVFWFLSA-N 442.538 0.447 50 20 ICGD CCOC(=O)N[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 735116858 IQRAULCOKNMKOG-OAHLLOKOSA-N 442.542 0.232 50 20 ICGD COc1cc(C)cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1O 735117011 KUGQGODJYAQASK-UHFFFAOYSA-N 435.506 0.797 50 20 ICGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 743290414 GAIZGKLAWIMFGU-GASCZTMLSA-N 426.539 0.386 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)c1cccc(Br)c1 743577636 FJDWLALYUBMYMB-UHFFFAOYSA-N 440.279 0.916 50 20 ICGD O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NNC(=O)C(=O)N1CCCC1 748246443 KKQWUAVCVSDNLF-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751206475 HOXMYQLTNZYEDE-UHFFFAOYSA-N 436.490 0.856 50 20 ICGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 752256395 KGYDNZVPHOKJAM-CYBMUJFWSA-N 429.813 0.728 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccc(C)o2)c1 752525357 ZSMNZBGFWRKLLF-UHFFFAOYSA-N 436.490 0.810 50 20 ICGD COC[C@H](C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 755059224 BOPOBFNWWHPGBE-OAHLLOKOSA-N 427.523 0.460 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 755260426 UDFFXROXQWXVLB-LNMJFAINSA-N 426.473 0.765 50 20 ICGD Cn1nc(Br)cc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 758807209 MKCZVWXYKBSOKH-UHFFFAOYSA-N 426.183 0.709 50 20 ICGD CC1(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)OCCO1 760157909 GHADUMAHQCZOBJ-UHFFFAOYSA-N 440.522 0.958 50 20 ICGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763472593 ZOWTUDUZIATFSR-UHFFFAOYSA-N 430.373 0.936 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570594 GTVSLVGQKXTHLC-GOSISDBHSA-N 440.456 0.998 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2c(F)cccc2F)c1 763718095 HFJUPZCETLQSQY-UHFFFAOYSA-N 426.401 0.615 50 20 ICGD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)CNC(=O)c1cccnc1 763825598 RUDPHCUFMQEDDA-UHFFFAOYSA-N 427.505 0.682 50 20 ICGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916221 DKOAFELKLFOFBK-UHFFFAOYSA-N 431.416 0.556 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n[nH]1 764097620 GFDOLHWWBMTZRG-UHFFFAOYSA-N 448.505 0.538 50 20 ICGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764154695 SYACHNOJZMQOON-KRWDZBQOSA-N 446.485 0.928 50 20 ICGD O=C(CC1CCCC1)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764187681 HZSHUMGTSNTGMD-GOSISDBHSA-N 444.488 0.367 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc1-n1cnnn1 764204464 UZNLAAKRBWPVBZ-UHFFFAOYSA-N 446.468 0.362 50 20 ICGD O=C(Cc1ccccc1F)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764320780 LAHKYHIABCJJAG-UHFFFAOYSA-N 448.476 0.939 50 20 ICGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)c1ncccc1C 764386163 RVXFHWIDRPEYME-UHFFFAOYSA-N 440.504 0.940 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ncccc1C)CC2 764388843 KBEJIAXLIJVPJA-UHFFFAOYSA-N 431.474 0.039 50 20 ICGD CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764426142 TXLLHVWTLJSEBR-QGZVFWFLSA-N 445.476 0.011 50 20 ICGD N#Cc1cccc(COc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2F)c1 764427824 BZPHIEDPTRJCQR-GOSISDBHSA-N 442.403 0.778 50 20 ICGD CCOc1c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)nn1CC(C)C 764811786 BCPALDMDNQVKQR-UHFFFAOYSA-N 444.496 0.144 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccccc2Cl)n(C)c1=O 765728485 RSFFIOCNNLLOCT-UHFFFAOYSA-N 436.881 0.027 50 20 ICGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=S)NCCSC)c1 769769531 VEXFXLFSVSZBGO-UHFFFAOYSA-N 441.000 0.737 50 20 ICGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 776179623 KYVZNSMMHWBCFY-UHFFFAOYSA-N 428.405 0.860 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)[C@@H](C)O)cc1 779538053 TXYHWSDQTRDIMD-CXAGYDPISA-N 441.531 0.570 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(OC)cc1Cl 784003479 GWXIPRPRERKDFZ-UHFFFAOYSA-N 440.865 0.935 50 20 ICGD O=C(NNc1ncc(F)cn1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 784949241 HIMZXOWLFWFPRT-UHFFFAOYSA-N 427.440 0.984 50 20 ICGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNc1ccccc1S(N)(=O)=O)C2=O 788228419 KAGIVHWZTVRJQV-HXPMCKFVSA-N 437.522 0.914 50 20 ICGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 790063481 KUOLACQBCJBTNN-UHFFFAOYSA-N 431.511 0.932 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CC(CC(N)=O)C2)cc1 794280221 BEDQAMJMEADEHU-CXUHLZMHSA-N 436.472 0.675 50 20 ICGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369460 YGCVEVPGMNHEFJ-UHFFFAOYSA-N 428.401 0.486 50 20 ICGD COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 797537149 ALSMJHGVIKFYSE-HNNXBMFYSA-N 438.289 0.917 50 20 ICGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc2n1 799009469 ZGXSEYKXJDTFSQ-KGLIPLIRSA-N 430.486 0.340 50 20 ICGD Cn1nnc(Br)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 809938569 ZDOLVPZPRGTCSH-UHFFFAOYSA-N 436.314 0.551 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 811829253 STVHJIZACWZQFX-UHFFFAOYSA-N 440.503 0.215 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(CO)c3)CC2)cc1 813488444 VYVZMITUUSEDPQ-UHFFFAOYSA-N 446.529 0.255 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1cc(F)c(Br)c(F)c1 815692043 IEQJXXQNNKJLQG-ZETCQYMHSA-N 443.208 0.667 50 20 ICGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1cccc(OCC(F)(F)F)c1 815692392 PXQPAWQMPLPLTM-SNVBAGLBSA-N 426.355 0.568 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 913068056 HCROUBLVRZJJDF-UHFFFAOYSA-N 432.458 0.705 50 20 ICGD CCOCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 913160955 AHEYNNKMMVBXBC-AWEZNQCLSA-N 429.495 0.137 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 914748131 IRVFVGRPWXLYIA-LLVKDONJSA-N 436.412 0.109 50 20 ICGD O=C(Cc1cccc2ccccc12)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914878658 NRFHAZYOQYBQMH-SJORKVTESA-N 429.498 0.565 50 20 ICGD CCCCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc2c1=O 915045812 IWGMXYLTTBABBQ-UHFFFAOYSA-N 447.473 0.902 50 20 ICGD CC(C)[C@@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCOCC1 916254463 XGUPBDDBOSTDJW-OAQYLSRUSA-N 446.596 0.886 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOCC(F)(F)F)cc1 916328626 NIHORJKVLXBJEN-UHFFFAOYSA-N 426.417 0.525 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccc(OCCN3CCOCC3)c2)n1 920920240 KDFUZNLTSRVZLI-UHFFFAOYSA-N 430.509 0.742 50 20 ICGD CCN1CCN(CCCCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1318939671 RABDZJNPFUFPJW-UHFFFAOYSA-N 440.570 0.844 50 20 ICGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1320565643 KYCOAJNLAVUCEN-HOTGVXAUSA-N 444.529 0.784 50 20 ICGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1cn(C2CCOCC2)nn1 1326067072 SZXRIJFLLPTXMK-UHFFFAOYSA-N 436.494 0.407 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777709954 REQBKCSULPZTIJ-QFIPXVFZSA-N 449.471 0.319 50 20 ICGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C(F)F 1780304735 KLRBDGNFWUVVSS-FQEVSTJZSA-N 448.235 0.024 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@](C)(Cl)CCl)C1)n1cnnn1 1780716029 YMUIIDKIFSRCDM-UWWPHRKUSA-N 433.340 0.984 50 20 ICGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)n1 1780774748 KTKQHZCNXZBQSM-CKUKBARFSA-N 447.309 0.524 50 20 ICGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)c1ccc(O)cc1 1781259139 SGYSBYWJLSHJKW-HJPURHCSSA-N 438.289 0.319 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1783882092 VDXQBVHDBYVKTD-AUUYWEPGSA-N 433.933 0.983 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932200 ORJXNUXQGOYGIU-VUCTXSBTSA-N 435.315 0.606 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3n1C)CCO2 1783934151 AFCFTLRIVSKSML-HSZRJFAPSA-N 441.532 0.995 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1C 1786984765 HBTHDKQAVPXBEI-BVSLBCMMSA-N 436.317 0.890 50 20 ICGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21)N1CCN(C)CC1 1789800409 ZVGDDASNTQJWRS-XWSJACJDSA-N 440.661 0.454 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1790964099 SOSPOMJHSFJOLM-QMVSFRDZSA-N 429.319 0.387 50 20 ICGD COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cc1O 1792804539 ACVSNEOYOMYIGH-REPLKXPHSA-N 438.289 0.575 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)CBr)nn1C 1792872604 QXEMVHYTBQMTRV-OHTBPHCPSA-N 429.315 0.663 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccco1 1794126835 QHLCAXYIYCTWNS-HBCWATKFSA-N 427.461 0.114 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1F)C2)c1ccc(B(O)O)cc1 1795735314 YPNRSOCEMVYVQM-HBCWATKFSA-N 430.216 0.162 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(Cl)c1 1795736948 PQMNBLALRHVLQK-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD O=C(CNc1ccc(F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187090 MGAPMKFWYSPCFY-ACDBMABISA-N 425.269 0.869 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(N2CCCC2)ccn1 1796190955 IKMCXAVRQTWSKZ-NUZGMZIFSA-N 448.332 0.927 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2ccccc2C1 1800681978 NKONPDGJESIODD-ISHFTEKXSA-N 442.560 0.754 50 20 ICGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)C1 1800754661 TWWUVLCTABXWOP-UJOWSUJOSA-N 431.327 0.949 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3c(F)cccc3n1)C2 1801013291 ZRFDNEZTLOAAIE-VTEUUUEMSA-N 446.483 0.050 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(O)n2)[C@@H]1c1cccnc1 1805677303 XJOOIYIIKDJKMU-IERDGZPVSA-N 440.504 0.875 50 20 ICGD Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1807362451 HBOYHWYVRGIUOC-YLJYHZDGSA-N 434.261 0.691 50 20 ICGD Cc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1811093175 VROWVUQPNOCHKS-UWJYYQICSA-N 439.520 0.873 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(F)c[nH]1 1812913027 GUEBRBATYZOECP-UZLBHIALSA-N 436.252 0.862 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCCC3)sc2C1 1814534924 JUELIYMXZWOBRA-AWEZNQCLSA-N 436.582 0.914 50 20 ICGD CCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354687 ARSMSYSFDXUJSB-AWEZNQCLSA-N 439.306 0.579 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCc2ncc[nH]2)[nH]n1)c1ccc(B(O)O)cc1 1817475989 YWWMINUSLUVYSG-KRWDZBQOSA-N 436.281 0.751 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CCCN1 1817476953 IRHOWMPEQUWGOQ-LAUBAEHRSA-N 425.298 0.538 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](Cl)COC)[nH]n1 1819243614 HSLBXLAYXHSNGJ-JVLSTEMRSA-N 431.877 0.720 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CC(=O)C2)[nH]n1 1819404142 AXEOIVUBPMTCGG-INIZCTEOSA-N 425.449 0.693 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)ccn2C)n[nH]1 1820171475 FIUROLIDGNCJTP-MRXNPFEDSA-N 443.508 0.787 50 20 ICGD COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)[C@H](O)CCl)CC4)(C1)C2 1825549018 XMMSTDCUCCYGMA-UJVZRLDKSA-N 427.910 0.998 50 20 ICGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CC2 1826003242 JERXSZFKPALIBL-IUCAKERBSA-N 438.897 0.512 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1830535326 MNRJAHXSXDKCIP-RVKKMQEKSA-N 432.359 0.568 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738669 RUBVJZUVTAEEGQ-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)Br)C3)C2)nn1C 1830957549 CEQJHIOZAKACEM-KBXCAEBGSA-N 443.342 0.511 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831656321 CYQCFRUGYKSRFV-KXBFYZLASA-N 432.949 0.223 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1834821202 BDJSRHDTAMXYKJ-AWEZNQCLSA-N 443.241 0.338 50 20 ICGD Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n[nH]1 1835788438 CIAXSUQUIIAFKU-UHFFFAOYSA-N 447.584 0.205 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1835832724 RBXYMTUYZCBUJR-LRDDRELGSA-N 447.349 0.939 50 20 ICGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835879583 FBIQWJLEIKTYFL-MAUKXSAKSA-N 434.375 0.862 50 20 ICGD CCCNC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836714120 QICILYAHCDXVMZ-QGZVFWFLSA-N 431.961 0.891 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837944487 COWCRRASYQEOIT-BEFAXECRSA-N 440.884 0.652 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1838428230 MVMZRGXLAOPRSV-YOEHRIQHSA-N 429.945 0.930 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838623033 XZEXSOSUNLZBNH-XEZPLFJOSA-N 432.359 0.491 50 20 ICGD Cc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)cn1 1840030972 BMOWQDDSFMSRPG-SUMWQHHRSA-N 427.299 0.638 50 20 ICGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187828 ZLFDHKNNUXPZDG-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840386272 QBOGGCSPLRJIHG-LPHOPBHVSA-N 428.917 0.028 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1844263570 RPDAANOZTWYTPC-SFHVURJKSA-N 437.456 0.342 50 20 ICGD CC(C)(C)OC(=O)C(C)(C)CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844995592 VOZMRQGHQBWRJZ-UHFFFAOYSA-N 444.337 0.941 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc3cccnc3nc2O)C1 1845607129 RYHVODLSSBZOCS-UHFFFAOYSA-N 432.245 0.146 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/C(=O)NCc1ccccc1 1847542518 NYXWLVUHMPYSJP-FQPQFXKESA-N 441.532 0.434 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cnc3ccccc3c2=O)c1 12614838 LFOWLXQHPHBUJS-UHFFFAOYSA-N 443.485 0.498 50 20 ICGD COCCOc1ncccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 108757123 HMKSPAANGBRLDI-UHFFFAOYSA-N 436.490 0.497 50 20 ICGD COC(=O)CN(CC(=O)OC)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 111012123 LHPAHLUACFTZFH-UHFFFAOYSA-N 428.445 0.832 50 20 ICGD CS(=O)(=O)Nc1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872180 BQOIQNNDIXJRNO-UHFFFAOYSA-N 425.492 0.380 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 726084474 RRHIXRXQTCZFMT-INIZCTEOSA-N 433.440 0.552 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C 726281255 ILRYIIRHYCIVNK-UHFFFAOYSA-N 449.467 0.461 50 20 ICGD CCc1noc2ncc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc12 728345574 LSGFXOIJHOTFOS-MRXNPFEDSA-N 426.385 0.929 50 20 ICGD N#Cc1cnn(-c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)c1N 728889567 CNDRGOBUGGMOKQ-UHFFFAOYSA-N 431.460 0.794 50 20 ICGD COc1ccnc(NNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)n1 729625304 RIAJCIPARZBKAV-UHFFFAOYSA-N 437.262 0.036 50 20 ICGD Cc1n[nH]cc1C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 732086419 CLVHQSUGJNBZNJ-UHFFFAOYSA-N 437.478 0.399 50 20 ICGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)c2ccccc2F)CC1 735113606 QLLPANRIEMROLM-UHFFFAOYSA-N 449.508 0.906 50 20 ICGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 740812283 BDLPYURXZCCUCB-UHFFFAOYSA-N 437.272 0.972 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1Br 740851087 OYIHWSCZAUWVGG-UHFFFAOYSA-N 434.312 0.918 50 20 ICGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)Cc3cc(O)nc(O)n3)CC2)cc1 743445831 FZBCPMCYTNKBGU-UHFFFAOYSA-N 435.462 0.396 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3ccc(C(F)(F)F)n3)cc2)CC1 748618830 HPQXXUCRHSKALK-UHFFFAOYSA-N 446.455 0.981 50 20 ICGD O=C(NN=C1C(=O)Nc2c(I)cccc21)N[C@H]1CCS(=O)(=O)C1 750935667 FFGLDQXTRHOZED-ZETCQYMHSA-N 448.242 0.434 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755260588 VMRUYASJCPRUSQ-IYVPYFHTSA-N 428.445 0.455 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755960296 KFDRBLOEVFFMFS-CYBMUJFWSA-N 446.551 0.611 50 20 ICGD CC[C@H](C)Oc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756205815 WMVJBONEIFEQAO-LBPRGKRZSA-N 443.464 0.464 50 20 ICGD CCOC(=O)c1cc(NC(=O)NNC(=O)Cn2nc(C)cc2C)cc(S(C)(=O)=O)c1 757608449 FDTZOIXMRGWFDN-UHFFFAOYSA-N 437.478 0.933 50 20 ICGD O=C(COC(=O)CNC(=O)c1cccc(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1 757691404 UNBJMNHZWJTCLX-INIZCTEOSA-N 431.376 0.086 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1C[C@@]12CCOC2 763374905 VFKHIRQRAGEXTG-FXAWDEMLSA-N 437.518 0.214 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccnn2CC)c1 763509910 WLEQUILSWYTSEF-UHFFFAOYSA-N 436.494 0.333 50 20 ICGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572868 UVJOPOWOINTJJB-MRXNPFEDSA-N 428.401 0.469 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 763859432 AXUKOWKOAQLLRS-CYBMUJFWSA-N 443.460 0.736 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 763872551 OFUWEJJDROTVAJ-NSHDSACASA-N 430.392 0.681 50 20 ICGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 763999370 WHPCELQERZOUEV-ZDUSSCGKSA-N 425.463 0.164 50 20 ICGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc21 764085781 OKLGJWYFRCDGPG-UHFFFAOYSA-N 430.486 0.872 50 20 ICGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764158778 LIJLJAAPTVGMHZ-UHFFFAOYSA-N 435.336 0.981 50 20 ICGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 764204102 OTPHGOZOUSDNNU-UHFFFAOYSA-N 432.502 0.449 50 20 ICGD CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C1 764232666 SUXUYKSOLMCDAA-CHWSQXEVSA-N 439.538 0.070 50 20 ICGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O 765314270 YHLOGRDBXGPVSU-RNODOKPDSA-N 439.513 0.939 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3nc4nc(C)cc(C)n4n3)CC2)cc1 765753160 BJFHALDQUQIMPE-UHFFFAOYSA-N 436.520 0.628 50 20 ICGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766655921 YDNDACVDPFTPAU-OAHLLOKOSA-N 426.521 0.746 50 20 ICGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 767162097 RXRFWCVBLAZUKG-QGZVFWFLSA-N 433.486 0.623 50 20 ICGD CC(C)(C)[C@@H](Br)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 768168522 UXJXHLLGNMJFGG-OCCSQVGLSA-N 438.388 0.244 50 20 ICGD CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 770597459 WNUQROLQTNDUEF-UHFFFAOYSA-N 428.515 0.319 50 20 ICGD CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 772220994 JFZDJONUXOLWCS-RYUDHWBXSA-N 436.556 0.247 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNc1cccc(C#N)c1 773681111 LTTYIJCPYSQTTE-UHFFFAOYSA-N 443.485 0.969 50 20 ICGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)nc2)cc1C(=O)NCC(F)(F)F 775673495 VOXUFZHBGZRHJU-UHFFFAOYSA-N 439.803 0.989 50 20 ICGD COc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc(Cl)c1OCC(N)=O 778446005 ZBYRLIHIJPCWAK-UHFFFAOYSA-N 430.845 0.498 50 20 ICGD CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782897245 MLTFOZKULMFSPB-UHFFFAOYSA-N 437.453 0.917 50 20 ICGD COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1N1CCCCC1=O 783428623 WKHMWIQHJIWLTN-LJQANCHMSA-N 438.506 0.349 50 20 ICGD CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cccc21 784000150 ONWPBMSUPLNVLI-UHFFFAOYSA-N 445.476 0.693 50 20 ICGD CCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 792212604 RTOKKEYCLQNKLG-UHFFFAOYSA-N 435.491 0.662 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c(C)c1 797010580 GQXHTPAOLDUTKN-UHFFFAOYSA-N 446.485 0.704 50 20 ICGD CO[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 798980392 OHEMZNIVJZCHHQ-LJQANCHMSA-N 434.928 0.726 50 20 ICGD O=C1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N1 799519370 VEWXFMQKKHFVCA-QGZVFWFLSA-N 430.486 0.595 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ncoc1C1CC1 814784111 GMICLCOOSVMAMQ-UHFFFAOYSA-N 448.501 0.967 50 20 ICGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778149 DYCVMQCECDJVCX-OAHLLOKOSA-N 426.495 0.338 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)cc(OC)c1OC 816814249 MHVZXLQNQWUYOC-OAHLLOKOSA-N 429.495 0.580 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1OC 913068058 HQWSUCGWHMXYEH-UHFFFAOYSA-N 425.438 0.973 50 20 ICGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 913068124 YBJGPMZDOGAYEL-UHFFFAOYSA-N 432.458 0.705 50 20 ICGD CN(C)N(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[C@@H]1CCS(=O)(=O)C1 914717473 MFXRUZSTEPZVGO-JLTOFOAXSA-N 434.518 0.478 50 20 ICGD O=C(NNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1csc(N2CCOCC2)n1 914846208 BTBITEMAFIKJDE-UHFFFAOYSA-N 444.448 0.740 50 20 ICGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)[nH]1 915190638 FMGXHGYNHXJVGL-UHFFFAOYSA-N 439.384 0.864 50 20 ICGD O=C(CCn1cnc2ccc(Br)cc2c1=O)NNC(=O)CN1CCCC1=O 915637166 NCGOUSLCHLEBLB-UHFFFAOYSA-N 436.266 0.319 50 20 ICGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915858309 XAXPCJJAFDXTGL-KRWDZBQOSA-N 446.464 0.769 50 20 ICGD C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2C1 918779104 ASMWASHCNQDKDP-LBPRGKRZSA-N 433.534 0.650 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 920297541 JKGMGQHRCJYIDO-MRVPVSSYSA-N 435.384 0.295 50 20 ICGD COc1ccc(C=NNC(=O)Cc2csc(N3CCOCC3)n2)cc1OCC(N)=O 1317706406 CLWFDTSHHOUPAL-UHFFFAOYSA-N 433.490 0.545 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1780370026 FIWRJMVOOLDNPL-NRFANRHFSA-N 427.266 0.235 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1781900491 RGWWZJVDDPNPOA-KYZVSKTDSA-N 448.358 0.737 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782570251 HFCXNNGMLPBDAO-FZKQIMNGSA-N 425.848 0.566 50 20 ICGD COc1cccc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)c1 1783417420 SNQWCXBNJGEBQX-ISGGHPHESA-N 444.532 0.911 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](Cl)COC)C3)C2)ccn1 1783883217 WTIJICBWHPGXHU-FOIQADDNSA-N 439.896 0.956 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1783966290 DETHBKWWKPLHBE-OWYFMNJBSA-N 442.358 0.925 50 20 ICGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784642400 WASZQZAJWDEGQQ-KKUMJFAQSA-N 432.359 0.913 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981525 ONRMSEJREDQROO-MNXVOIDGSA-N 429.315 0.358 50 20 ICGD Cc1scc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1C 1786246374 FBISFTXMVRFJRD-QRFRQXIXSA-N 442.346 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)ncn3)[C@H]2C1 1789059509 MZIUNOPSKRPDHQ-YDHLFZDLSA-N 438.916 0.096 50 20 ICGD Cc1nc2ccc(F)cn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790380510 WVGCFXBRFDIBHM-TUUVXOQKSA-N 438.887 0.975 50 20 ICGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1791055765 HRFMCKZXOIHXJJ-DHJHWIFFSA-N 428.327 0.584 50 20 ICGD COC[C@H](Cl)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791328801 OFVHRFLDOCSSBT-KRWDZBQOSA-N 427.929 0.661 50 20 ICGD CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795895727 WADTUQKSPBWWIB-IWTMDLJTSA-N 449.907 0.481 50 20 ICGD COc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1OC 1796188571 VTEMHHQXPFVBLG-BJWYYQGGSA-N 439.277 0.344 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)c(O)c(Cl)c1)c1ccc(B(O)O)cc1 1800715596 VKXMIFDMHGKVKA-MUJYYYPQSA-N 444.680 0.997 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccnn2c1 1801061219 ZWUHGBFROWKWHG-ACHSLPGTSA-N 433.472 0.898 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801269981 CZZGCOWAQUWPGK-QCPCCJPKSA-N 425.327 0.888 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343627 DBVHOAJQZGGUSQ-NFFDBFGFSA-N 427.299 0.476 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806769197 RYGNUJMLDQLSKN-YJBOKZPZSA-N 427.599 0.984 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cccn1 1807368758 YABZZUZWESZILA-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD COCCCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295629 UONVIJDWWCORRV-OXQOHEQNSA-N 440.504 0.826 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811545325 RTYSTBZQYKAAGD-UWJYYQICSA-N 437.504 0.974 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H]1c1cccnc1 1813028544 SCGVWILYXPJADB-RLFYNMQTSA-N 435.912 0.949 50 20 ICGD CCn1ccc(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1813071185 PQRAVWUGXRAQFZ-LAUBAEHRSA-N 441.536 0.991 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCN2CCCC2)[C@H]1c1cccnc1 1814268609 AMDXXJPBCVPVAF-AUSIDOKSSA-N 444.580 0.946 50 20 ICGD C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815211427 HYLXGIXMTSZTJX-KDOFPFPSSA-N 426.282 0.987 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccns1)CC2)c1ccc(B(O)O)cc1 1815337828 WWYLXSMECCPILE-GFCCVEGCSA-N 428.304 0.819 50 20 ICGD COC(=O)C1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CC1 1825275937 CVUQFAFQYIXOCF-CYBMUJFWSA-N 443.290 0.002 50 20 ICGD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)cn1 1826934563 DSJRIHBIVKKOGO-OAHLLOKOSA-N 439.306 0.025 50 20 ICGD COc1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830725978 MZWJGXAYUOWPAJ-OXJNMPFZSA-N 441.912 0.079 50 20 ICGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(c3ccc(F)cc3)CC1)CCO2 1832384703 BQSDVOYAZATAQQ-PXNSSMCTSA-N 440.899 0.913 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834672156 FDEXILAEZCYPAO-IRXDYDNUSA-N 429.993 0.558 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC3(F)F)CC2)CC1 1835452290 QUKRFEDGPMUEOS-MRXNPFEDSA-N 429.512 0.586 50 20 ICGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1835588455 AOWBZDJFEBIIAD-XSWJXKHESA-N 434.375 0.847 50 20 ICGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCCC1(F)F)CCO2 1836621133 ATFDTTNMXKNIOB-COXVUDFISA-N 442.862 0.960 50 20 ICGD Cn1nccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837484339 CHSKLDHXRJHFLW-UHFFFAOYSA-N 440.309 0.026 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1837816723 PMZLMJXEQFSYST-IBGZPJMESA-N 445.988 0.961 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838664362 FFXNPOXEDWPHRH-SUMWQHHRSA-N 429.315 0.962 50 20 ICGD O=C(c1cc2ccsc2[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839519226 BYAJVMIJBBLIBV-RDTXWAMCSA-N 427.910 0.899 50 20 ICGD O=C(c1ccc2occc2c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839563697 SRGLQVLUXWWNDF-MGPUTAFESA-N 438.864 0.808 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662523 RTNLYJLREQGDOD-BEFAXECRSA-N 426.901 0.107 50 20 ICGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705463 IDOIRSAGPBGGJH-CPUCHLNUSA-N 444.330 0.327 50 20 ICGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840036042 NCAIFZWLQWCXSC-QIIPPGSGSA-N 448.358 0.531 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840036051 CWRBYDZJXODHBH-ABAIWWIYSA-N 439.328 0.044 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049939 TYQLXOMLXMJYHU-PDOICOKGSA-N 426.586 0.862 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1840153575 UKMNVYJYRKLCLF-LUODXLFYSA-N 427.885 0.706 50 20 ICGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188314 CGNUZRAGYCBKJD-SFHVURJKSA-N 442.303 0.911 50 20 ICGD O=C(c1ccc2nnc(Br)n2c1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350821 ZBAXKCHZCDIGFS-LLVKDONJSA-N 442.701 0.909 50 20 ICGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCCC1)NC(=O)NCc1ccccc1 1847301037 QVXCKGKRXHNMBF-PMACEKPBSA-N 442.564 0.630 50 20 ICGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 10159942 FFIIOMYSZHYJFG-LBPRGKRZSA-N 447.448 0.845 50 20 ICGD O=C(/C=C/c1cccnc1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 25983369 RXDYGJMPTXCJRM-UXBLZVDNSA-N 444.513 0.896 50 20 ICGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc(-c4ccncc4)no3)cc2)CCN1 60362596 FVAKORRUSAWAHM-UHFFFAOYSA-N 443.445 0.009 50 20 ICGD CN(C)N(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 728178070 AZDBSYJLUNKLGQ-CYBMUJFWSA-N 432.520 0.114 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1 728856253 KRQDOSDROFQUQQ-UHFFFAOYSA-N 426.520 0.664 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C[C@H](C)O1 732262219 SAUKLHRIPCMOEC-GJZGRUSLSA-N 438.550 0.635 50 20 ICGD CCCCN(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 732892252 YHFWWAGQRAFUCH-UHFFFAOYSA-N 427.575 0.376 50 20 ICGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742477645 SHRGTIQFAFKAJH-IPZZXCBHSA-N 439.472 0.299 50 20 ICGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 744603022 BXIWSCKKYUAWLH-UHFFFAOYSA-N 439.515 0.766 50 20 ICGD CC(C)n1nc(C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 747474940 AHDUGEJRVDEPGW-GFCCVEGCSA-N 438.531 0.659 50 20 ICGD C[C@@]1(NNC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CCS(=O)(=O)C1 750664988 PCXFTPKEYZJGBB-GOSISDBHSA-N 437.547 0.954 50 20 ICGD CC(C)Cn1c(N)c(C(=O)COC(=O)/C(C#N)=C\c2ccc(O)cc2)c(=O)n(C)c1=O 750667307 XNUYCDHCDGRLIV-ZSOIEALJSA-N 426.429 0.824 50 20 ICGD O=C(COC(=O)c1ccnc(O[C@H]2CCOC2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 755057722 ZUFHUKBPWVYBDO-HNNXBMFYSA-N 430.373 0.776 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCCc3c2cccc3S(N)(=O)=O)cc1OC 756604998 LMGJPHKHGAVCRG-UHFFFAOYSA-N 448.501 0.565 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)c2Br)c1 760162661 JGFXCICPXSJXKR-UHFFFAOYSA-N 430.284 0.508 50 20 ICGD Cn1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 761015182 ZCUOSBOPKTZPOL-UHFFFAOYSA-N 434.522 0.781 50 20 ICGD N#CCCNS(=O)(=O)c1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1 762852775 ZRFFIPOSPVTXIQ-UHFFFAOYSA-N 431.478 0.262 50 20 ICGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 763156594 CWGXTQAFTMTHAN-SNVBAGLBSA-N 431.565 0.960 50 20 ICGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 763659358 GMQXYHCUYIRFHP-UHFFFAOYSA-N 430.490 0.706 50 20 ICGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cn1 763766781 CXTGXAASUOLBKT-UHFFFAOYSA-N 430.465 0.454 50 20 ICGD CSc1nc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2s1 763999487 XFMXVAMZTROBIW-QMMMGPOBSA-N 428.517 0.539 50 20 ICGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764286436 VKGBMZUATRRPJK-UHFFFAOYSA-N 440.254 0.526 50 20 ICGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc12 764297596 CYUKFOBSXKHEBT-UHFFFAOYSA-N 425.401 0.823 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 764426433 USQHFMLSAWRPDA-AWEZNQCLSA-N 428.898 0.395 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 764554724 WHHWOWGYCHUIHP-OAHLLOKOSA-N 444.467 0.659 50 20 ICGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 768074182 ZAVQJBWOCKXKBV-MRXNPFEDSA-N 435.956 0.864 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)nc21 770348444 ZNPPJZFMBAMSDB-UHFFFAOYSA-N 449.516 0.638 50 20 ICGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2 770365007 SGURCWHQQHDEDT-UHFFFAOYSA-N 425.850 0.851 50 20 ICGD COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(F)c1 771883438 JGBGBTATKSNXPT-UHFFFAOYSA-N 429.813 0.988 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)c1ccc(Br)s1 778518245 PFERSFMHEKRLBI-UHFFFAOYSA-N 435.300 0.913 50 20 ICGD COCc1ccccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 778565360 SGTAHSQGTNMCGL-UHFFFAOYSA-N 446.529 0.601 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccc(N2CCCS2(=O)=O)c1 780973531 BQTILRQZDUARMZ-UHFFFAOYSA-N 426.495 0.902 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 782052779 GHCRYHFYINYSQL-SFHVURJKSA-N 433.534 0.646 50 20 ICGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)n1 782926799 ZTHWJGDXSSDXPL-UHFFFAOYSA-N 427.248 0.678 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc21 785066628 FRUIXOKPPSJBOS-UHFFFAOYSA-N 435.444 0.659 50 20 ICGD Cn1nnc(CNC(=O)NNc2ccc(S(=O)(=O)NC3CCCCCCC3)cn2)n1 787437967 VWVCCRFSCAFOLC-UHFFFAOYSA-N 437.530 0.823 50 20 ICGD O=C(CCn1c(S)nc2ccccc2c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789059562 SLTLJHPPWFBFJT-UHFFFAOYSA-N 436.457 0.512 50 20 ICGD Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)CN1CCCC1=O 789857902 KXPDDUJHKHKCSL-UHFFFAOYSA-N 427.387 0.462 50 20 ICGD COc1c(C)cc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 794920942 YIXMANCBEJSIMB-UHFFFAOYSA-N 432.868 0.945 50 20 ICGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1ncccc1F 804211395 MUSVEDPTPUPAJM-UHFFFAOYSA-N 435.481 0.977 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1 812580621 ONHDRCOFGXAFQX-UHFFFAOYSA-N 430.490 0.893 50 20 ICGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1)[C@H]1C[C@H]1C 815593096 BJRXFFLGXBCOPY-WBMJQRKESA-N 441.444 0.557 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 816828986 XFKLMSHWWSATIZ-GHMZBOCLSA-N 449.327 0.279 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)cc1 1322744916 WMRPLQSJLZZLQQ-OAQYLSRUSA-N 426.429 0.932 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779234855 CEBJKGCLGTUHEV-FOIQADDNSA-N 440.928 0.371 50 20 ICGD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1780370029 FIWRJMVOOLDNPL-OAQYLSRUSA-N 427.266 0.235 50 20 ICGD O=C(NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)c1ccc[nH]1 1781326988 VWWXPBMBNMMPOU-PBHICJAKSA-N 445.289 0.655 50 20 ICGD O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782114972 VSFRUINFVXSWFR-UTKZUKDTSA-N 446.891 0.892 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784520418 OBQRAHHLDGFAHJ-QNWJLWSRSA-N 443.335 0.337 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785218077 SZDADVMSCGPPPF-QVSJOPQTSA-N 448.249 0.462 50 20 ICGD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979434 INOJMYCQTVXMEQ-SZMVWBNQSA-N 443.334 0.347 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(F)(C3)C4)C[C@@H]21 1787506515 BTMSCCZUDAXYFB-WFDLLMHTSA-N 445.495 0.992 50 20 ICGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1793728148 WOOHKHWYSVJQPQ-BBIADKPPSA-N 430.549 0.890 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597372 HOPINEQOHYYKGU-XQLPTFJDSA-N 429.359 0.889 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc2ccc(F)cn2n1 1796189365 DBXBICUTXGNAFN-BJWYYQGGSA-N 437.240 0.114 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)C1 1801678539 TUSPHTIKBOOQKT-APIJFGDWSA-N 444.444 0.908 50 20 ICGD CCOC(=O)/C=C/C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1806298198 DIGPGSLYFWLFGA-KGGYJROMSA-N 445.520 0.580 50 20 ICGD CC(C)(C)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807093032 HWCPYYQHWVWITG-WIYYLYMNSA-N 438.337 0.469 50 20 ICGD Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cnn1C 1807369691 RWVPLWPYKAYNNU-NQIIRXRSSA-N 447.304 0.437 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813009511 QLUNAONYHHJLSM-PAXLWEDBSA-N 437.305 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCN2CCCC2)[C@@H]1c1cccnc1 1813074786 VMBWXQUANJUBFP-WMZHIEFXSA-N 444.580 0.946 50 20 ICGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cccn1 1813421395 CAITXIMLKUGARF-BSIFCXSSSA-N 447.304 0.539 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C13CC(F)(C1)C3)CC2)c1cccc(B(O)O)c1 1815350550 XQINSKYAQZEZPH-JYMLRBTQSA-N 429.282 0.941 50 20 ICGD Cc1noc(N)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1817288624 AMWKBBYAURHJOX-CYBMUJFWSA-N 432.485 0.967 50 20 ICGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821971587 QCONJFVUYGNMSB-ZBEGNZNMSA-N 442.480 0.239 50 20 ICGD Nc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)s1 1826994046 RILKYUVSNVGRGC-QGZVFWFLSA-N 442.350 0.952 50 20 ICGD O=C(CCc1ncc[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060106 AZRPSRIEJBQCIH-HXUWFJFHSA-N 438.337 0.956 50 20 ICGD CCSc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829575522 XYQGLIAVJMDVHG-KXBFYZLASA-N 443.953 0.863 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1829770357 LENIWLXAQQMJIO-PXDRNWIDSA-N 439.585 0.153 50 20 ICGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1830534056 WAKJURLWWFNAHI-GPMSIDNRSA-N 446.386 0.958 50 20 ICGD C[C@H](Br)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1831648800 LIHNHZWWPLKMLF-JSGCOSHPSA-N 443.342 0.941 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3C3CC3)CC2)CC1 1833255635 OHZBEPLLDHNSRX-WOJBJXKFSA-N 433.597 0.977 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833475510 QJDQKUFYTXFALY-QZTJIDSGSA-N 448.303 0.392 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833583126 NIICLXFUUGBEFF-FZKQIMNGSA-N 448.303 0.764 50 20 ICGD CO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)CC1 1835118287 YKNIUPGJYHGOPN-JZCUADNKSA-N 446.552 0.727 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccccc1 1836215833 BUILVCJYBIBKSE-UHFFFAOYSA-N 435.333 0.865 50 20 ICGD O=C(c1nc2ccccn2n1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717538 FAXUXGLXIUBTEF-MRXNPFEDSA-N 435.912 0.941 50 20 ICGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836719656 BHGGONWUMIUGPZ-BEFAXECRSA-N 434.917 0.201 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837289798 XEPLYAZXKKPXLS-DRCYAFTPSA-N 429.945 0.037 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837462951 WYKHONBZUAWSTM-KSSFIOAISA-N 434.990 0.334 50 20 ICGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837715908 RDVRFSMWAXFEDK-LJQANCHMSA-N 442.585 0.638 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806124 XPICPZNWFFWDRR-MEDUHNTESA-N 432.271 0.020 50 20 ICGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199509 PFTFCSPKULOGIH-RHSMWYFYSA-N 447.305 0.972 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)c1 1840669595 FILAZWDLCOVIOD-QFIPXVFZSA-N 448.520 0.144 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(Cl)c3nncn3c2)C1 1844225981 HVCCIMJESHAUOX-UHFFFAOYSA-N 439.668 0.193 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844522756 GFIDPDAIJRNZAY-UHFFFAOYSA-N 446.471 0.397 50 20 ICGD O=C(CN1CCc2sccc2C1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848107183 YNNAVTFKSNJTRD-OALUTQOASA-N 439.346 0.302 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 14850733 VVTFWQHDPKVLKX-UHFFFAOYSA-N 438.440 0.537 50 20 ICGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2C)nn1 23621550 FTMKFHNULMWQBT-UHFFFAOYSA-N 434.420 0.420 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CSc2nnnn2C2CC2)c2ccccc2c1=O 36820725 AYHFFGFDBSMZIQ-UHFFFAOYSA-N 428.478 0.681 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1Br)C1=CC=CN2CCS(=O)(=O)N=C12 728548856 TVSLPBMBFSCCPA-UHFFFAOYSA-N 443.254 0.847 50 20 ICGD O=C(NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 732954012 HSYYAUACUOLVGA-DSQDWWTGSA-N 432.458 0.568 50 20 ICGD CC(=O)Nc1cccc(F)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 734196374 UPZWGHPBVXKDOP-INIZCTEOSA-N 431.376 0.928 50 20 ICGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc21 741741239 ROFPHXWBRFSYHV-UHFFFAOYSA-N 430.490 0.833 50 20 ICGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 741925391 ROLSFLDMJAKVCH-UHFFFAOYSA-N 442.497 0.964 50 20 ICGD C[C@H](CC(=O)NNC(=O)Cn1cnc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 742471199 GKFBGRSRVYYSQW-CYBMUJFWSA-N 440.485 0.701 50 20 ICGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1O 743317089 DMGYBNKVZRAUBA-VIFPVBQESA-N 429.886 0.524 50 20 ICGD Cc1cccc(C(=O)NNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 744400375 HVEFOMDBTDXDPM-UHFFFAOYSA-N 434.504 0.550 50 20 ICGD CCOc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1OCC(=O)N1CCCCC1 744463850 ZDORPZIYRMCMOT-UHFFFAOYSA-N 432.477 0.516 50 20 ICGD CCn1c(NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)nc2ccccc2c1=O 750602499 FRXUXJYLHUMPGM-UHFFFAOYSA-N 433.494 0.270 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(Br)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 751540921 MVNBVMDHSVZEAG-SSDOTTSWSA-N 446.732 0.782 50 20 ICGD Cc1oc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1S(N)(=O)=O 755634205 SQEVGDNUAQZPTI-UHFFFAOYSA-N 432.252 0.838 50 20 ICGD O=C(NNC(=O)c1ccccc1Br)C(=O)Nc1cnn(-c2ncccn2)c1 763482069 DPSFTARSBUXQDZ-UHFFFAOYSA-N 430.222 0.825 50 20 ICGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)cn1)NC1CCCC1 763747983 MDCGBBMTOXVNNQ-UHFFFAOYSA-N 432.868 0.995 50 20 ICGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 763867636 XZPJLECMOFDIKY-ZDUSSCGKSA-N 446.435 0.846 50 20 ICGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 763877219 IMEVLXKVZYCHOL-CYBMUJFWSA-N 447.469 0.846 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccc(F)cc1)CC2 763918427 COSJZJWCOUTLDT-UHFFFAOYSA-N 448.476 0.403 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)cc1 764356015 PDVJHPPLMBUSEW-UHFFFAOYSA-N 447.517 0.831 50 20 ICGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765752976 SQFQQCIJMIWHPS-QGZVFWFLSA-N 438.960 0.832 50 20 ICGD COCCc1nc(C)c(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)s1 770595170 CGCWZKVQLVWRHO-UHFFFAOYSA-N 426.524 0.065 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCNS(=O)(=O)c3cccnc3)nc21 770958055 GXAQQTNUOHQUSE-UHFFFAOYSA-N 434.482 0.494 50 20 ICGD O=C(NCc1nnnn1CC1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 771374837 QHNAVXRCULVYIQ-UHFFFAOYSA-N 448.509 0.012 50 20 ICGD COc1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc2c1OCCO2 777779445 LDPINOOYWWWQRU-UHFFFAOYSA-N 435.296 0.906 50 20 ICGD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CN1Cc1ccccc1 777780177 XDFYSADSGWIJCR-OAHLLOKOSA-N 444.351 0.862 50 20 ICGD CN(NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)C(N)=O 778412244 NXUCNFAUOQODFY-QMMMGPOBSA-N 425.330 0.953 50 20 ICGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCC[C@H]1CCO 779710395 FVDFPYBUBXXFKE-YOEHRIQHSA-N 440.522 0.203 50 20 ICGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccccc2-n2ccnn2)nc1 783262951 FHRPVANIJNKYKF-UHFFFAOYSA-N 444.477 0.431 50 20 ICGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 784005311 VDBMPNRIHBYVIX-UHFFFAOYSA-N 433.471 0.308 50 20 ICGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc2ccccc2n1 790070162 JGJMPKBRMURVPH-FQEVSTJZSA-N 425.445 0.611 50 20 ICGD Cc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 790697818 MSSBLCYYMLOPLS-GOSISDBHSA-N 434.460 0.716 50 20 ICGD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 792514945 JRDRIVYZCJUGAX-UHFFFAOYSA-N 426.341 0.195 50 20 ICGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855931 VMOMHTOFYIRHKN-ZFWWWQNUSA-N 434.559 0.144 50 20 ICGD CCc1ccnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 798118571 FWYQAQOZLAAVSR-UHFFFAOYSA-N 433.538 0.801 50 20 ICGD COC(OC)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)o1 806343316 BXFMWYGMZLSQGZ-UHFFFAOYSA-N 425.463 0.961 50 20 ICGD CCOC(=O)c1ccc(NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 812721709 BSWVJVQMHHLKMM-AWEZNQCLSA-N 436.490 0.780 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812979747 GJBGMJIOAGQFTK-UHFFFAOYSA-N 439.472 0.092 50 20 ICGD CN(C/C=C\C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)CC(F)(F)F 815827445 ZIWSSHOJXZNNOD-YVMONPNESA-N 441.454 0.642 50 20 ICGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)NCc2ccco2)c1 816886507 ZHQDMFHTKALMPE-AWEZNQCLSA-N 444.473 0.373 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)cc1 874093555 QZTKZEFFVNKGLU-UHFFFAOYSA-N 434.456 0.928 50 20 ICGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)COc1ccc(C#N)cc1 914846726 WQVTZVXCQIUGMW-UHFFFAOYSA-N 445.501 0.911 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778162366 UWFSSLIGAIORNB-GUYCJALGSA-N 432.315 0.832 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)cn2[nH]cnc(=O)c12 1779298946 QWRUFPZQKBVCJG-FQEVSTJZSA-N 447.568 0.626 50 20 ICGD CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(C)=O)C2)C1 1780095248 LQTFLCSDRKWHFH-HXUWFJFHSA-N 448.432 0.100 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 1781530284 BCTUNOJNLURTRT-OAQYLSRUSA-N 446.671 0.916 50 20 ICGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCBr)C3)CCN1 1782266548 CRDOMMJSRVVPAZ-HBUWYVDXSA-N 430.343 0.812 50 20 ICGD Cc1cnn([C@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)c1 1782516269 PFARHUWHDOHAGM-JBYIUTFZSA-N 448.568 0.639 50 20 ICGD Cc1ccc(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1783296514 ZPFDMCAXUPFYPT-XMMPIXPASA-N 436.317 0.751 50 20 ICGD O=C(Cc1cccc(F)c1F)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783382622 IBHPLYLAOVBSPT-JOCHJYFZSA-N 444.243 0.331 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783536074 DJRTZJDQSNBRCG-QLJPJBMISA-N 427.255 0.402 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1784615185 BPZYWLBKWDKDEW-WSMBLCCSSA-N 437.928 0.627 50 20 ICGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1784618921 VJBOLTXTXMXOLS-OKYOBFRVSA-N 442.988 0.538 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)s1 1785917197 BNKGBVLFKIWCNB-JQFCIGGWSA-N 443.529 0.962 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNc4ccccc43)C[C@@H]21)c1ccc(B(O)O)cc1 1786979455 KWXKFLDEEUHJRK-CJFIXGCPSA-N 449.316 0.169 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1789221761 BFXUYUBRSYJOSV-TXSAGFPJSA-N 435.433 0.494 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1789222296 PXOSFXOZQYELNO-DTPILHQWSA-N 448.476 0.708 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Br)CC)[C@H]2C1 1790960577 DYGZZKBXERJLNX-QIEWPSKMSA-N 442.354 0.998 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(C)n1C 1791290686 LCVZPPQTVVGRFZ-WDSOQIARSA-N 433.553 0.608 50 20 ICGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1792786354 KKISKOKPGWIXCH-GNXNZQSNSA-N 433.983 0.701 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793421743 UQWHNDJHIFIKRI-STNLWOQDSA-N 446.410 0.570 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(N(C)C)c1 1793858898 YASJEAXFTVDEJN-BAAGSCJXSA-N 439.940 0.975 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1O)C2 1796441242 NJHPJCLHQUUZSR-IHHIPJHASA-N 439.472 0.729 50 20 ICGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)cn1 1796565368 CZLGLOCKJIEGCT-DNVSUFBTSA-N 440.294 0.855 50 20 ICGD Cc1csc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797748626 NFKQHUHBXVVWEV-FVCICTRLSA-N 429.502 0.572 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CO[Si](C)(C)C)C2 1798472119 ZZNPMEILFAFHET-YYIAUSFCSA-N 428.558 0.971 50 20 ICGD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798522403 VOSDZTZQNFUIFP-HBCWATKFSA-N 435.433 0.760 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1800332911 ALGQSUCDDGPTEW-UJLMUCCTSA-N 428.399 0.893 50 20 ICGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800644382 RNVKEXYOAMLIEN-MUTWKMIISA-N 435.315 0.365 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnsn2)[C@@H]1c1cccnc1 1804998726 UJUTWFBWIGJHRH-KDOFPFPSSA-N 431.522 0.626 50 20 ICGD Cn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805893088 KNKXVFQMKZAVQY-YJBOKZPZSA-N 448.487 0.447 50 20 ICGD Cc1nccnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359519 AJRYFRMDMPDBAA-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD Cn1cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cn1 1807362296 JZGYURHPGRLYSU-FXAWDEMLSA-N 433.277 0.128 50 20 ICGD COc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)nc1 1809972350 MREJYFUMRUJIFS-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2C=CS[C@@H]21 1812382862 GOSYDDPISMJCPS-YNWKUBOOSA-N 449.341 0.956 50 20 ICGD COCC1(C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]2c2cccnc2)CC1 1813067786 DLVKACKWRHXKFH-PXNSSMCTSA-N 431.537 0.887 50 20 ICGD C[C@H](Br)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069728 YYJJFXCTMCBYIC-CIUDSAMLSA-N 432.344 0.431 50 20 ICGD CC(C)N(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347777 OGGUGNUVIPJYDU-OAHLLOKOSA-N 430.339 0.389 50 20 ICGD COC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471766 ZUWNMJUSGBNXAH-INIZCTEOSA-N 428.254 0.349 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475681 XIVJVNBUJMWYHJ-UGSOOPFHSA-N 441.297 0.262 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)ccn3C)sc2C1 1821318597 FXHHXGIOJFIFDW-GFCCVEGCSA-N 446.533 0.441 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1822377737 YXSYHNKPFUPMBM-JQWIXIFHSA-N 429.861 0.199 50 20 ICGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)CC2 1826006551 JUANMIFRWHKBKH-HZSPNIEDSA-N 444.001 0.945 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1829864894 GEYXCTOLBLFPBS-HACGYAERSA-N 434.331 0.141 50 20 ICGD O=C(c1ccc(Cl)nc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725475 ORGPSXDIWXPWJU-PXAZEXFGSA-N 436.267 0.544 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731117 HFYSMQYYDMSHIO-RXVVDRJESA-N 448.907 0.542 50 20 ICGD Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1832987492 QFPOMVFFLZAKDK-XLIONFOSSA-N 425.913 0.379 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc2ncnn2c1 1835631035 FFPGAVOCTIGOGS-KRWDZBQOSA-N 434.928 0.514 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837097044 JRUBBUGDRBXFCG-KXBFYZLASA-N 426.901 0.153 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1837711847 SWIRNAIRJZPFOW-FQEVSTJZSA-N 447.568 0.879 50 20 ICGD C[C@@H](Br)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837862337 HXTKYCOZPPAQIE-CYBMUJFWSA-N 444.374 0.608 50 20 ICGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)c1 1839152327 WJUVANKASNXMAO-ZWKOTPCHSA-N 433.336 0.884 50 20 ICGD O=C(c1cnc2ccc(F)cn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839590991 WXFRTWYUHCQKIJ-KXBFYZLASA-N 440.859 0.143 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839964625 XNCIHJVOFMPPNJ-AHIWAGSCSA-N 449.346 0.063 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840030127 BDTOEZJCOCTCSW-PBFPGSCMSA-N 434.331 0.141 50 20 ICGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840034471 MYJMQSIOFQPYOI-BDJLRTHQSA-N 445.270 0.776 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840154641 BCJZEXAOXIPXDG-QRWLVFNGSA-N 436.896 0.658 50 20 ICGD CC[C@@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841634782 BWRWSCLBNXXCRI-XLIONFOSSA-N 445.564 0.943 50 20 ICGD O=C([C@H]1CCc2ccccc2[C@H]1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013013 YXMKLAWIOKGOET-LEWJYISDSA-N 434.301 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnn3cc(C)cnc23)C1 1844057947 MSKBHFCAEYOJEA-CVKSISIWSA-N 448.487 0.989 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846269778 SGKDZXCPIZNPPL-CYBMUJFWSA-N 446.508 0.415 50 20 ICGD COc1cc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc2c1OCCO2 17184726 VQCOKZYNVNERJJ-UHFFFAOYSA-N 431.357 0.993 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 728722752 SRYKTCUVAYBBIQ-CQSZACIVSA-N 437.522 0.612 50 20 ICGD COc1ccc(OC)c([C@H](O)CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 728958639 CGYWXAXMZQFZHX-QGZVFWFLSA-N 444.492 0.774 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)C(C)(C)c2ccccc2)c1 731221281 IZSYOMHNFHOSRN-UHFFFAOYSA-N 447.517 0.841 50 20 ICGD O=C(COCc1ccccc1)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 737926257 CHLCUMROZSNBEC-UHFFFAOYSA-N 438.531 0.730 50 20 ICGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)COCc2ccccc2)CC1 738466342 CIHUKMXDYPDRPN-UHFFFAOYSA-N 449.508 0.613 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 741144651 XZFYFCLCJMCZJC-LLVKDONJSA-N 428.442 0.307 50 20 ICGD O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NNC(=O)c1ccc(F)cc1 741753727 OQPFYQQANPRXMB-LJQANCHMSA-N 442.447 0.713 50 20 ICGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)c1 741824536 CZJJGVHFXYUVQP-UHFFFAOYSA-N 433.417 0.866 50 20 ICGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 748521842 UTQARHMDLGXRLT-UHFFFAOYSA-N 427.479 0.487 50 20 ICGD Cn1nc(SCC(=O)NN=CC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 749857644 DTGDPZFYSMCMJU-UHFFFAOYSA-N 440.526 0.320 50 20 ICGD COc1cc(OC)cc(-n2nnnc2CN(C)CC(=O)NNC(=O)c2cccs2)c1 752338163 SLXAVPJMELCCEI-UHFFFAOYSA-N 431.478 0.634 50 20 ICGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 755867289 KZWWAMOKRPTRQT-OIQJVACTSA-N 445.863 0.636 50 20 ICGD CCc1nnc(O)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1CC 758150978 CIDBFCJTLXGDAD-UHFFFAOYSA-N 435.506 0.697 50 20 ICGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)C(=O)Nc3ccccn3)c2)cc1 758835585 XTXMMNTXNVDKCA-UHFFFAOYSA-N 427.442 0.828 50 20 ICGD Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 761952480 IGVKOGSBIAXBDT-UHFFFAOYSA-N 435.488 0.565 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)nc2)cc1C 762875621 PZSQMOBXCYINLM-UHFFFAOYSA-N 426.476 0.279 50 20 ICGD O=C(CN1CCCC1=O)NN=Cc1ccc(OCCn2cc(C(=O)O)nn2)c(Cl)c1 763136299 AWRKNEOYLOLTRQ-UHFFFAOYSA-N 434.840 0.781 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 763465575 AMZTWXZDZBIEMP-UHFFFAOYSA-N 436.384 0.959 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 763577674 JBLASSHDLHATTR-QGZVFWFLSA-N 440.412 0.565 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 763713884 QNSMSWOMEJDSGA-UHFFFAOYSA-N 448.501 0.810 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 763870626 BDHKCQREVYUQQF-ZDUSSCGKSA-N 438.440 0.729 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764166987 GUCVNTYMWXDQEE-KRWDZBQOSA-N 444.469 0.217 50 20 ICGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)cc1 764194009 XPRLIJPNRSDQPP-UHFFFAOYSA-N 426.429 0.308 50 20 ICGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc1 764296607 BPETWPJBVWKHJM-UHFFFAOYSA-N 436.494 0.538 50 20 ICGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c2ccccc2c1=O 764375745 PRHCEOWMQWBQPJ-DLBZAZTESA-N 428.493 0.521 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 764398995 JAGSTSVEPGVHPY-MELADBBJSA-N 440.472 0.577 50 20 ICGD O=C(NNC(=S)NCc1ccon1)c1cccc(S(=O)(=O)N2CCOCC2)c1 764437039 GOAPKAGPFNVJGM-UHFFFAOYSA-N 425.492 0.005 50 20 ICGD Cc1cc(C(=O)NNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n[nH]1 765586362 RQVPJNYYDXPNMT-UHFFFAOYSA-N 437.386 0.852 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]nc1-c1ccncc1 766640336 DARDAHMKDGPZEO-UHFFFAOYSA-N 433.472 0.691 50 20 ICGD O=C1OCc2ccc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)cc21 767851833 WADCIVZSPXVNKD-UHFFFAOYSA-N 439.309 0.346 50 20 ICGD CC(C)(O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 768259048 DUKKMKXMIGKTIV-UHFFFAOYSA-N 441.506 0.167 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cc[nH]n1 770813249 FYXUUVBREWXGDF-UHFFFAOYSA-N 425.405 0.545 50 20 ICGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNc2nccc(OC)n2)c1 773726737 QGRCQJACWYFQND-GFCCVEGCSA-N 436.494 0.785 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COCc2ccccc2)[C@H](C)O)cc1 779518825 HRUCDEUGTAMBTB-KXBFYZLASA-N 435.502 0.387 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccn3c(O)nnc23)c1 780850364 ZQVDIGGTZGBETC-UHFFFAOYSA-N 432.462 0.540 50 20 ICGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 780971572 OICDLEIBMDXCQW-LBPRGKRZSA-N 446.551 0.963 50 20 ICGD CC(C)N1CCN(c2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)CC1 783425859 FFJGDSJFCWOGQX-HXUWFJFHSA-N 437.566 0.354 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1cc(Br)c[nH]1 789828660 AKPOGHYMYRWUPT-LLVKDONJSA-N 434.316 0.632 50 20 ICGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CNC(=O)c3cccs3)C2)c1 791553492 CAYNUXCUCGULQQ-HNNXBMFYSA-N 432.458 0.836 50 20 ICGD Cc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)n1 797369974 CPXCERSGXUXRNY-UHFFFAOYSA-N 445.501 0.847 50 20 ICGD CCc1ccnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 798118483 AHLADZUUHUIXGX-UHFFFAOYSA-N 447.517 0.809 50 20 ICGD CCOCCCn1c(NNC(=O)c2ccc(S(N)(=O)=O)cn2)nc2ccccc2c1=O 798326646 KNRQKCHNLPKPDN-UHFFFAOYSA-N 446.489 0.622 50 20 ICGD O=C(Cc1ccsc1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976362 BJNLBBMPLPXNEY-CABCVRRESA-N 442.497 0.474 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CCS(=O)(=O)C1 807242000 OILFTIIJNUXRAH-VQTJNVASSA-N 449.533 0.793 50 20 ICGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778472 SOFPEDYPDPFUQD-CQSZACIVSA-N 426.495 0.169 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)n(-c2ccc(C(F)(F)F)cn2)n1 815779763 UMFYIOZJYOMTIH-LLVKDONJSA-N 426.355 0.859 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@H](B(O)O)C2)c1 864232546 BCXYPLHSGMVQEE-HNNXBMFYSA-N 439.343 0.243 50 20 ICGD COc1cc(OC)cc([C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2nccn2C)c1 916229104 LZTGHKKPJKEPBD-QFBILLFUSA-N 437.522 0.908 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778008624 SMEJOSIGAXJSHC-SNUQEOBHSA-N 428.873 0.269 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778488638 BLAMDMYOIJKSBJ-JOCHJYFZSA-N 434.261 0.000 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778981906 CAIYDFUKKUZPCD-WPWRZWQBSA-N 429.477 0.643 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1779034542 QVFBBDDFYUWHFM-QFIPXVFZSA-N 439.472 0.077 50 20 ICGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1779293969 INVJFPPJVAOCHB-FQEVSTJZSA-N 434.569 0.493 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1779330947 NHOBMASCWIPFLW-FQEVSTJZSA-N 440.290 0.062 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779386963 DZQKGYJHFCTDTE-NRTGNBEESA-N 425.917 0.391 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1780098855 KAYDYLNZMBBSHE-NRFANRHFSA-N 446.460 0.525 50 20 ICGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)c1ccc(O)cc1 1781261233 DXZCZVXJTLBGND-ZHRRBRCNSA-N 432.521 0.699 50 20 ICGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1781858168 GISKBVNUFAJUFD-BDJLRTHQSA-N 426.297 0.463 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782175379 KOGAHWVELIBFQY-HBUWYVDXSA-N 434.990 0.238 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1782179758 MLRSAEWFEGDNTI-XHBSWPGZSA-N 443.850 0.433 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccn1)C2 1782211986 MXSGKQFOTPOSJF-XMSQKQJNSA-N 431.537 0.511 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c3nccc1-3)CCO2 1783934749 LNBPKRYAWNEDOE-OAQYLSRUSA-N 428.493 0.331 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCc4sccc4C3)C[C@@H]21)[C@H](O)CCl 1784085648 NBRVHZJGHRYBRT-NXOAAHMSSA-N 441.981 0.686 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784791280 SMQSCXWLRDYFLV-DWWSDUFCSA-N 433.534 0.846 50 20 ICGD C[C@@H](C#N)c1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1785080511 ZITLEHZUONAVQI-BXKMTCNYSA-N 447.300 0.751 50 20 ICGD CCS(=O)(=O)CC(=O)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1786339108 WKDXVHVCFMAJPI-UHFFFAOYSA-N 444.318 0.549 50 20 ICGD CC(C)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCC1 1786982003 LBPQYZCJFQTFKJ-IHPCNDPISA-N 428.338 0.786 50 20 ICGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]4C3)cc21 1787446385 HGAJFQMFYBJCKK-LWWSYDQCSA-N 427.864 0.144 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1787508851 MVXTWSSSQFFTOG-JMXHXPFRSA-N 427.864 0.635 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)c3ccco3)[C@H]2C1 1790615294 LLLCDMXHXFOZAG-XIRDDKMYSA-N 448.231 0.345 50 20 ICGD COc1ccc(F)cc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791380434 NABXMMIEKOTXHZ-PTOXDTDZSA-N 428.888 0.956 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 1793779883 QJKLQKZOAPQAMK-LSIDRNEPSA-N 441.956 0.621 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 1793897602 DGYYIMJSLUFKQG-RCJHGTSTSA-N 441.981 0.950 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccccc1-n1nccn1 1796192924 BZQBDBHLBYPQDV-REPLKXPHSA-N 445.288 0.513 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2n(n1)CCCO2 1797436814 HKWYLLVBNKOAPA-RDBQEKCUSA-N 431.262 0.559 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c(F)cccc1F 1798795934 CWRBGFBTHCYIRM-HBCWATKFSA-N 430.216 0.162 50 20 ICGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)CC2)CC1 1799349397 URINMTYUFQNHKH-LXTVHRRPSA-N 447.349 0.047 50 20 ICGD O=C(Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349767 KSFAVGMXMNCHQW-LFSVMHDDSA-N 429.246 0.300 50 20 ICGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)[C@@H](F)Br)C3)CCC2 1800047507 GFEIGEBPGDLVGL-YJKIEOBBSA-N 429.290 0.803 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802164293 KRSBQGLKANOCPV-XSDCOXNMSA-N 433.415 0.130 50 20 ICGD COC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803681820 WARREFHPFZDVTQ-URLQWDBASA-N 440.504 0.682 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnc(F)c1 1803840009 IWLXCINQNAIQHX-RXVVDRJESA-N 448.263 0.929 50 20 ICGD CC(C)[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807366656 VFMVKJRZGPJILC-RLLQIKCJSA-N 425.294 0.098 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccns2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369398 IQYHGSIMZIHZTJ-APWZRJJASA-N 436.302 0.851 50 20 ICGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)N1CCN(C)CC1 1807851037 AKTDKVCILLQKQO-XGXHKWSGSA-N 437.972 0.323 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808416570 BGHYLBQGSMDOEZ-JEHKSCNCSA-N 449.515 0.749 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1813034269 GCFCJPQKVVHZQO-BXWFABGCSA-N 433.896 0.598 50 20 ICGD CC1=C(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCO1 1815341380 YAWGVBOBNPTMKV-CQSZACIVSA-N 427.291 0.743 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCOC1)CC2)c1ccc(B(O)O)cc1 1815347583 FPENWNMFVXPMAM-HIFRSBDPSA-N 429.307 0.475 50 20 ICGD CC(=O)N(C)[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1818126283 LNXRTSGDTILICF-XJKSGUPXSA-N 435.529 0.642 50 20 ICGD COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCBr)CC2 1820187514 ZZEDWTWSAYDAEH-ZYHUDNBSSA-N 447.355 0.991 50 20 ICGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1823836821 YSSGXAYXDHMOEO-QUCCMNQESA-N 441.337 0.126 50 20 ICGD O=C1NCCn2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](O)CCl)CC3)cc21 1826196097 SGTFLMRIBKLZOZ-RDJZCZTQSA-N 437.928 0.460 50 20 ICGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCBr)CC1 1826937060 PAOPCTOWVFXGTI-LSDHHAIUSA-N 431.375 0.984 50 20 ICGD C[C@H](CC(N)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923866 YKVATUGPBDSTOD-RDTXWAMCSA-N 444.536 0.430 50 20 ICGD Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830724738 BDTTVPOOLOINLN-PXNSSMCTSA-N 425.913 0.379 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833676171 UFFGGYPYPWUHCA-MRXNPFEDSA-N 441.960 0.517 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C3CCC3)CC2)CC1 1834354412 OXQSSVGZDZNFNN-UHFFFAOYSA-N 428.537 0.670 50 20 ICGD COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821425 JCTURGLNAGLDJC-QGZVFWFLSA-N 446.298 0.676 50 20 ICGD O=C(CNC(=O)C(F)(F)F)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720123 JQRYUHIEWSGSKU-CYBMUJFWSA-N 443.850 0.263 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838502158 ZFNUNGKUTRUCDP-XOBRGWDASA-N 449.895 0.177 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1839963394 JIASHUUCYKQITO-BZNIZROVSA-N 431.287 0.359 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840036063 DCFUMPMWQQXXPB-GUYCJALGSA-N 429.315 0.202 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3sccc3F)C2)C1 1840182713 QQDPBATXIYGLHS-LJQANCHMSA-N 442.513 0.330 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840411094 XVKLMECBAXTCPF-LJQANCHMSA-N 438.557 0.163 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844402711 DSGTUUZAADLBND-UHFFFAOYSA-N 425.436 0.433 50 20 ICGD COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1844726338 UEFZCOMNKAYRMH-UHFFFAOYSA-N 434.456 0.696 50 20 ICGD CC(C)(C)OC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846088947 UKNCOQSQLNLTEL-UHFFFAOYSA-N 432.481 0.027 50 20 ICGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OC 32798214 RBMOXDARFCJADG-UHFFFAOYSA-N 427.391 0.950 50 20 ICGD COC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)[C@@H](C)C2)cc1 725871669 PJZNCWWUHULWJD-AWEZNQCLSA-N 443.460 0.748 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 725873310 XMFIPNYVLWKMTG-LBPRGKRZSA-N 430.339 0.972 50 20 ICGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 726277227 JOWKWFKMTDACDZ-CYBMUJFWSA-N 429.319 0.664 50 20 ICGD CCC(CC)N1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 728328083 FTJRJKKHFZELMR-DYVFJYSZSA-N 433.461 0.554 50 20 ICGD C#CCN1C(=O)C(=NNC(=O)[C@H](C)NS(C)(=O)=O)c2cc(Br)ccc21 728434382 LMQKYYSUTGMMEQ-VIFPVBQESA-N 427.280 0.187 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 728735146 OWTLZVCDUUDGTD-UHFFFAOYSA-N 436.402 0.678 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Br 729275535 PJVFFVSZQGXOGK-HTQZYQBOSA-N 426.264 0.441 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 729622786 ASDSYDAOZRTWLZ-GXTWGEPZSA-N 426.543 0.341 50 20 ICGD O=C(NNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1)N1CCOCC1 732064160 ZRBVKBMIRRXKED-UHFFFAOYSA-N 428.486 0.880 50 20 ICGD O=S1(=O)C[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)[C@H](N2CCOCC2)C1 735919166 BYOZUDWAYSHQJR-IAGOWNOFSA-N 436.983 0.634 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 744460008 IYIRQORMSCATDF-UHFFFAOYSA-N 433.417 0.866 50 20 ICGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)Cc1cn2ccccc2n1 746642238 WWTGGEKWLQEETQ-SSEXGKCCSA-N 428.470 0.993 50 20 ICGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCNS(=O)(=O)c1cccs1 747437244 FLGAEAVTCROOSG-LLVKDONJSA-N 430.483 0.963 50 20 ICGD COc1cc(CN2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)cc(OC)c1 747842481 FIHAPAOQUSEZSM-UHFFFAOYSA-N 447.561 0.976 50 20 ICGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cc3ccccc3o2)c1 749472898 WQCKKJILXJXRRT-UHFFFAOYSA-N 444.469 0.992 50 20 ICGD CCCCCn1nc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 749811374 BIFCVRSWKZZHPZ-UHFFFAOYSA-N 439.476 0.330 50 20 ICGD Cn1c(=O)nc(O)c2c(C(=O)NNc3cccnn3)cc(-c3ccc4c(c3)OCO4)nc21 753080923 VYSYYVNHDJYLGJ-UHFFFAOYSA-N 433.384 0.977 50 20 ICGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1=O 763782304 RZYVMPXTGWSYQS-UHFFFAOYSA-N 432.458 0.361 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 763866023 NBSBPPNVCMXSAE-SJCJKPOMSA-N 444.419 0.281 50 20 ICGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1 764340992 BWYHGSGJPBFJTE-UHFFFAOYSA-N 426.495 0.612 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1S(N)(=O)=O 764352073 ZGSBFKGHEQKIKE-UHFFFAOYSA-N 442.457 0.228 50 20 ICGD O=C(NCc1ccco1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764424976 LOQWFMJEFZRTNW-OAHLLOKOSA-N 431.405 0.103 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 764431908 FZSPKWAEIHSCJY-JTQLQIEISA-N 429.311 0.257 50 20 ICGD O=C(CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)NNC(=O)C1CC1 767057713 BFAFDMPIVNSKKL-UHFFFAOYSA-N 438.326 0.563 50 20 ICGD C[C@]1(c2cccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2)NC(=O)NC1=O 769027786 OTVVCFOCIWNAEG-OAQYLSRUSA-N 437.460 0.209 50 20 ICGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)Cn2nc(C)cc2C)C1=O 771229170 CLARWKDBYWLANF-FQEVSTJZSA-N 428.449 0.123 50 20 ICGD CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)n(C)c1 771969279 PAPMTJACOCTFJL-ZDUSSCGKSA-N 430.527 0.794 50 20 ICGD CC(C)C[C@@H](C)n1nccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775759743 HQRWTKBRZHTHHL-GFCCVEGCSA-N 445.484 0.090 50 20 ICGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCOC[C@@H]2OCCOC)c2ccccc2c1=O 777273614 CPTUTEIXUZHYKI-HOTGVXAUSA-N 433.465 0.181 50 20 ICGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 778555764 CMGVAIVAPADSKH-UHFFFAOYSA-N 444.491 0.545 50 20 ICGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 782898373 ZWGNNRPPGMPEQC-UHFFFAOYSA-N 449.489 0.787 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1C 783316277 NCLCAUKPAKBVLD-MRXNPFEDSA-N 441.492 0.497 50 20 ICGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNc2ccc(F)cc2F)cc1 783340538 SJSFODFPCNSKNH-UHFFFAOYSA-N 428.417 0.971 50 20 ICGD Cc1cc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)ccc1N1CCSCC1 783426116 FTYYNKPCPDDMKS-SFHVURJKSA-N 426.564 0.685 50 20 ICGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427396 SKGSRTFOFDMYKJ-OAHLLOKOSA-N 448.295 0.372 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)nn1-c1cccc(Cl)c1 784001822 DYWCVTFYSKTKDF-UHFFFAOYSA-N 444.835 0.943 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(C)n(C)c2=O)cc1 787338838 MCEGNUOHJHURBV-UHFFFAOYSA-N 435.506 0.153 50 20 ICGD CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CN1CCCC1=O)C2=O 789856415 GGQQXICJXABXOH-UHFFFAOYSA-N 435.525 0.673 50 20 ICGD Cc1ccc(C(=O)NNC(=O)CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 791625840 SLXOCQGTIOIMNY-HXUWFJFHSA-N 441.536 0.567 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCC(=O)c3cnn(C)c3)cc2)CC1 793711122 DGOOBARWCMDBQD-UHFFFAOYSA-N 434.522 0.462 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 797369137 QWQMGIUDLPIODG-UHFFFAOYSA-N 443.464 0.796 50 20 ICGD C[C@@]1(NNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCS(=O)(=O)C1 798492807 HXPAFGBVZKMHJQ-OAHLLOKOSA-N 438.959 0.389 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c(OC)c1 800622841 USXSGWHGYOMPRE-UHFFFAOYSA-N 439.428 0.659 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 801006354 XJJHMMQGOUGRLH-AWEZNQCLSA-N 429.433 0.020 50 20 ICGD COc1ccc(NC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 802060370 AHXNYFPIRMRAPF-UHFFFAOYSA-N 427.465 0.767 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 817053660 BDMDNUQRLRVDNH-UHFFFAOYSA-N 428.492 0.771 50 20 ICGD CN(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 915913268 KXJPAGMTOPGMJO-UHFFFAOYSA-N 433.490 0.197 50 20 ICGD Cn1nc(SCC(=O)NN=Cc2cccc(NC(=O)C(F)(F)F)c2)c(=O)n(C)c1=O 915957830 XHDHADAUHCTKLM-UHFFFAOYSA-N 444.395 0.222 50 20 ICGD O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)[C@H]1COc2ccccc2O1 917318636 WHKWQJDBZXSRNB-DLBZAZTESA-N 441.396 0.307 50 20 ICGD Cc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 918779426 SOAXCPDAYFSEMF-HOTGVXAUSA-N 439.538 0.321 50 20 ICGD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 920931777 BJKFFVBBBFWLEP-SFHVURJKSA-N 449.475 0.579 50 20 ICGD CCCNC(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 921042070 XWEZMIUOZMAEQJ-UHFFFAOYSA-N 437.316 0.728 50 20 ICGD CSC[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1317736956 BVSBRVRCLRKEIK-SLEUVZQESA-N 433.534 0.956 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778675040 GBFZSODAFABLJJ-QFIPXVFZSA-N 434.261 0.000 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778945939 RCVCUDAHCAGHJL-SUMWQHHRSA-N 428.276 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1779031709 DTRRTNKNVFMBAX-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD Cc1cnoc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779975742 HMAMJUUUOOMECJ-DYESRHJHSA-N 427.266 0.104 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1781233964 PCRQXAAXSTZRIN-ZIAGYGMSSA-N 434.242 0.731 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)n1)C2 1782172898 PXXDNAFPRYUOQD-WHWRDJHUSA-N 428.873 0.269 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)C(=O)c1ccccc1 1784083645 DTBXKVSOWRHRCE-XSLAGTTESA-N 437.924 0.338 50 20 ICGD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1C(F)(F)F 1784086827 PAAPWVVVBRJADY-SYEHKZFSSA-N 438.834 0.632 50 20 ICGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1785603212 MFUSPOBQZIDRRX-KKUMJFAQSA-N 438.550 0.723 50 20 ICGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)no1 1788673566 ZQUAPMTWDRNHIX-GVXVVHGQSA-N 433.292 0.496 50 20 ICGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788762739 RCYOSFWIUADTIC-BQFCYCMXSA-N 438.601 0.974 50 20 ICGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794599256 HPELDZZQITUJPO-FMSGJZPZSA-N 429.315 0.975 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]c2nccc1-2 1796187357 XESUJVKDEOBMPY-IVWMJMPLSA-N 449.471 0.030 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccnc2)[nH]n1)c1ccc(B(O)O)cc1 1798839487 VFLILOJWZIMCTJ-REPLKXPHSA-N 445.288 0.717 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799732458 RDQJWDURFJDYBR-NOXHYTERSA-N 427.841 0.757 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801001796 KQSDBXCEMDZTDO-MVERIQSTSA-N 435.315 0.223 50 20 ICGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)C1 1804610801 NZAPBNRCKGVDQZ-YIDVYQOGSA-N 445.944 0.860 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369603 PUVPGTZLQPWMHL-KNQAVFIVSA-N 447.304 0.437 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2cnc[nH]2)[C@@H]1c1cccnc1 1810299504 RDGRFCFKFUBKGB-RDTXWAMCSA-N 434.460 0.437 50 20 ICGD CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](Cl)COC)[C@H]1c1cccnc1 1812334122 WKJJZRKAAJMLPG-UXLLHSPISA-N 441.985 0.825 50 20 ICGD Cc1noc(N)c1C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813070249 FKRRJAPNAYWNOG-BEFAXECRSA-N 443.508 0.653 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2csc(N)n2)[C@@H]1c1cccnc1 1813070827 LJHSDBREHXXYNZ-KBXCAEBGSA-N 445.549 0.813 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cncc(O)c2)[C@@H]1c1cccnc1 1813074054 OFCGWKDBXACVQK-IIBYNOLFSA-N 440.504 0.875 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCCS1)CC2)c1cccc(B(O)O)c1 1815361613 LFDHYZOOVIFMQJ-UKRRQHHQSA-N 431.348 0.944 50 20 ICGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@]3(F)Cl)sc2C1)c1ccc(B(O)O)cc1 1826262032 RQQILUCAZTZWMB-SOZUMNATSA-N 437.689 0.973 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1829057933 MOIFAJCGDZDUFM-HKUYNNGSSA-N 447.584 0.907 50 20 ICGD CCSc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829575520 XYQGLIAVJMDVHG-DNVCBOLYSA-N 443.953 0.863 50 20 ICGD N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830719858 MSCCWOGQVNNVBS-RXVVDRJESA-N 435.908 0.547 50 20 ICGD CCOc1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730743 DHWHBRUBHWYSKO-JXFKEZNVSA-N 426.897 0.755 50 20 ICGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831449834 TUOLUBMDWDQAQJ-HNNXBMFYSA-N 429.322 0.153 50 20 ICGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)c1ccco1 1832663544 CJVVWGKWUXRICW-CZUORRHYSA-N 433.230 0.609 50 20 ICGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834120124 FKOXNPMCZWUQHA-KDOFPFPSSA-N 443.342 0.972 50 20 ICGD CC(C)O[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835790368 CHDTXWVGJNGBLU-KRWDZBQOSA-N 445.369 0.365 50 20 ICGD O=C(c1ccncc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837819959 DUZWYCIBQRLBCZ-CZUORRHYSA-N 432.246 0.548 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839147352 NYWQLICXKAWSNH-BFUOFWGJSA-N 428.869 0.891 50 20 ICGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cn1 1839198204 XAXXWJDQGSDWED-XJKSGUPXSA-N 447.261 0.246 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840150321 IKXVWGUTJLPJND-OXQOHEQNSA-N 445.944 0.099 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840153217 HUXVXJCAHVWAFP-ACJLOTCBSA-N 442.925 0.720 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840184494 QGQACGZDOZMJOU-GCJKJVERSA-N 436.553 0.562 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358465 IZJRMYMGJORFHI-SJORKVTESA-N 434.324 0.361 50 20 ICGD COc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840684661 XPIDBPWZBUJHBB-QFBILLFUSA-N 430.860 0.504 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccncc2C(F)(F)F)C1 1843531502 WIYMLSCOAXHTBM-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD CC(C)(C)OC(=O)N1CCCO[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1843817544 PNZWREJTKBXMKC-HUUCEWRRSA-N 445.944 0.816 50 20 ICGD CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1843841093 CAFPITRGAIOPRH-UHFFFAOYSA-N 443.309 0.050 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2[nH]cnc2-c2cccnc2)C1 1844672208 DXDIEZAOIAJTJK-UHFFFAOYSA-N 425.493 0.662 50 20 ICGD O=C(NNC(=O)c1sccc1S(=O)(=O)NCc1ccco1)C(=O)N1CCCC1 725713674 TYFJFARSBOHOLS-UHFFFAOYSA-N 426.476 0.203 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 728722751 SRYKTCUVAYBBIQ-AWEZNQCLSA-N 437.522 0.612 50 20 ICGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1 730028214 PVRLKTHTUAFBIP-UHFFFAOYSA-N 429.399 0.729 50 20 ICGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@H]1COc2ccccc2O1 730511692 BRQONLQXAOUYCJ-IFXJQAMLSA-N 439.424 0.798 50 20 ICGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3c[nH]nc3C)nnc12 731853187 SQXDVFAVSBJRED-UHFFFAOYSA-N 438.473 0.815 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cc1 732303840 MQBCSPQYFFFBCN-UHFFFAOYSA-N 425.488 0.714 50 20 ICGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 732471530 PCGQQCZQXNLEMV-INIZCTEOSA-N 425.555 0.820 50 20 ICGD CC(C)Oc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743821165 WVONUUQCGVQIOR-SRABZTEZSA-N 432.502 0.954 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 743829809 DRKDJQCLEACMAP-UHFFFAOYSA-N 430.439 0.343 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)N1CCOCC1 745993044 UYSKJMFANRLYNO-HNNXBMFYSA-N 430.552 0.468 50 20 ICGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 746299723 IXJLKXNWDHMKQK-NSHDSACASA-N 435.462 0.177 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 755518832 ZFZYAYOXEQJVTF-UHFFFAOYSA-N 427.417 0.519 50 20 ICGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2cccc3ncccc23)c1=O 757780918 NSXMKLNGKLEKJR-UHFFFAOYSA-N 429.458 0.908 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1 759194441 BMSNUYTUJIOZFP-CYBMUJFWSA-N 432.930 0.439 50 20 ICGD COC[C@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(N)=O 760083339 OJENSBOSVWJPMT-OIQJVACTSA-N 444.879 0.602 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccnc1 763494750 IOEZBYANAWQVRS-UHFFFAOYSA-N 433.490 0.819 50 20 ICGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 763572049 LGRSGKALDPFGCE-SFHVURJKSA-N 438.440 0.849 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl 763574759 HZOIZQYIGBHPAO-INIZCTEOSA-N 446.847 0.968 50 20 ICGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763802348 BQBDCQDCRLMVKL-UHFFFAOYSA-N 430.373 0.855 50 20 ICGD Cn1cc(Br)cc1C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 764004351 DTIYDUIPSIJBFG-UHFFFAOYSA-N 432.238 0.768 50 20 ICGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 764078367 RTYXDNZUSJGWIW-HNNXBMFYSA-N 442.497 0.867 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1N1CCCS1(=O)=O 764170827 BUVLPVYAKANXAT-UHFFFAOYSA-N 434.474 0.847 50 20 ICGD O=C(CCc1ccco1)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 764176281 BHWDESOEZZFNDE-UHFFFAOYSA-N 427.417 0.976 50 20 ICGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cccc4ncccc34)cc2)c1=O 764253306 PHXLBXFTMZHCQX-UHFFFAOYSA-N 431.412 0.519 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c(OC)c(OC)c1 764313332 KZKRJPZZFHOZJH-UHFFFAOYSA-N 433.392 0.958 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cc3ccccc3o2)cc1OCC(N)=O 764341664 HGXGMOKWSAHPRW-UHFFFAOYSA-N 426.385 0.705 50 20 ICGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 764405598 UEYQJFUHCLJINC-UHFFFAOYSA-N 446.485 0.785 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 766885863 YTJOHDVCPPYCIM-GHTZIAJQSA-N 443.592 0.997 50 20 ICGD CCS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c(N)c1 767388440 ZOWYMXKPDGBYRR-UHFFFAOYSA-N 433.486 0.918 50 20 ICGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccc21 767452634 YHDJZWUDGNGKLV-UHFFFAOYSA-N 439.471 0.641 50 20 ICGD CN(C)N(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 770265689 RZDHHQRTJWKIAL-NSHDSACASA-N 439.353 0.959 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)nc21 770979738 ITHMIYOXWLACPL-UHFFFAOYSA-N 440.464 0.466 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 771221311 GXVFPMMQLAKJAT-UHFFFAOYSA-N 438.466 0.831 50 20 ICGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 773417208 QNWHBRJNNHAJCO-CYBMUJFWSA-N 432.481 0.668 50 20 ICGD COCCCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 780697723 HHYJPDXHRDUZEC-CQSZACIVSA-N 447.941 0.635 50 20 ICGD Cc1nc(Cn2cc(C(=O)NNC(=O)COc3ccc(Br)cc3)nn2)no1 781856272 OCMBUCCFRHPFIV-UHFFFAOYSA-N 436.226 0.620 50 20 ICGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)cc1 783437007 QGZOGHMIXRHPCI-UHFFFAOYSA-N 433.432 0.998 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 784001943 GRCRHSFPIWKIDD-IHRRRGAJSA-N 428.449 0.662 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNc3nccnc3Cl)cc2)CC1 784780729 KFIBYYWYYKOBAM-UHFFFAOYSA-N 445.911 0.918 50 20 ICGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccnc(F)c3)c2)CC1 784848878 ONTZVCHDIRCUOF-UHFFFAOYSA-N 436.469 0.239 50 20 ICGD C[C@@]1(NNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCS(=O)(=O)C1 787559136 AXWPGQOFSJTMAO-CYBMUJFWSA-N 426.239 0.864 50 20 ICGD CS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1Cl 788332847 HIDZPZPQGRXVJM-AWEZNQCLSA-N 437.861 0.833 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)[C@H](C)O)cc1 789369522 FOQZBEPJVQDUHS-VBKZILBWSA-N 444.513 0.894 50 20 ICGD Cc1c(S(N)(=O)=O)sc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1Cl 791197175 PQDWPTZWFGWTJV-SNVBAGLBSA-N 431.879 0.958 50 20 ICGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 793516949 DESBHGFZFYJTOU-UHFFFAOYSA-N 443.526 0.335 50 20 ICGD COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NNC(=O)c1ccccc1 796682742 KKPHVJGRIXCLCU-MRXNPFEDSA-N 434.493 0.932 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 797368374 AQMNCQRGCZFPGL-UHFFFAOYSA-N 439.428 0.584 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1 914601828 WSWCFSHOEOVOIL-MRXNPFEDSA-N 438.550 0.983 50 20 ICGD O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 915895272 ZQJRBAISGSGVTK-LJQANCHMSA-N 436.476 0.507 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CN(C)c2ncnc3[nH]cnc23)c2ccccc2c1=O 917915400 VVPXFEDXLRTVMJ-UHFFFAOYSA-N 435.448 0.370 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1C 919955251 FVXOKFDXJYOSLP-UHFFFAOYSA-N 449.441 0.721 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 920212993 MHQYFAUHKHSXBU-UHFFFAOYSA-N 448.457 0.031 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2c1=O 920285849 WCJYGJRFEVAUSO-UHFFFAOYSA-N 434.412 0.166 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921025856 RUUPNAVYXFKYRO-UHFFFAOYSA-N 448.530 0.783 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778564246 JGVCCPLLUMAIPR-OAQYLSRUSA-N 432.525 0.036 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577294 IKEUPMIIKQJOIV-VLIAUNLRSA-N 437.880 0.715 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1ccc2c(c1)CNC2=O 1779157522 BSUMNOFFCNFRCU-CSODHUTKSA-N 435.908 0.657 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1782171967 IHAIGPMUJOOWLR-OIPACUDHSA-N 438.974 0.435 50 20 ICGD CC(C)(CCl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782311900 QDFTXJANGHWFGW-JLTOFOAXSA-N 425.913 0.690 50 20 ICGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@](C)(Cl)CCl)C2)n1cnnn1 1782604879 VBUQDIGHCIPFTI-BQGCOEIASA-N 433.340 0.984 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccc(OC)cc3)[C@H]2C1 1783769938 QRLPZINBEHOGAR-UJCHZGTJSA-N 440.924 0.962 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)CCO2)C1 1783873805 UVBFWKNOVSEFNQ-BFUOFWGJSA-N 442.900 0.860 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1783970366 SZRFAPOKGOKWQD-MPXAEWJHSA-N 430.299 0.791 50 20 ICGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(OC)c1 1784092843 MSDTTXCCUJEEFP-RPZXMPESSA-N 426.897 0.897 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784550610 ZZOGSQMLSVVQFN-NRPJQOQNSA-N 447.536 0.507 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784889117 GHERBBFJHHVAQW-XDTLVQLUSA-N 447.389 0.179 50 20 ICGD O=C(/C=C/c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785375032 BMBYQNAYWMYSLV-DGOYWAMKSA-N 435.289 0.068 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(F)c1F 1789636909 QLKZYDCWVUFVCN-FNHZYXHNSA-N 444.243 0.552 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1791255256 IRXNQLITURLEPP-HJPIBITLSA-N 426.857 0.022 50 20 ICGD CC[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NC(=O)OC(C)(C)C 1792978475 DDDINPDLUFPNJJ-SVZOTFJBSA-N 447.960 0.869 50 20 ICGD C[C@@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2NC1=O 1792980760 MKSMNBOHOGGNQL-PFFLZGHSSA-N 437.880 0.209 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793805773 YQGVKKYIRQDEIK-ZJOBFFGXSA-N 430.343 0.762 50 20 ICGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410158 NBDDIOPQOOIMGO-NJBDSQKTSA-N 431.262 0.769 50 20 ICGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115853 OIMMCRZAQWAMTK-JFILPPLUSA-N 426.315 0.652 50 20 ICGD CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796364056 CWQWQHNARDYGBX-HZZBMVKVSA-N 447.891 0.689 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798431105 HYEAQPFXBHGQRI-YDOXXCSQSA-N 427.509 0.409 50 20 ICGD CCc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1C 1798439826 INYOOQAQFRNTES-YOWGUQMCSA-N 425.493 0.547 50 20 ICGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C 1801651599 STOLVHAQUJVTJL-UPHUGPLXSA-N 438.289 0.200 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cscn1 1805741474 GTDRMUUNWJPWBR-APWZRJJASA-N 436.302 0.851 50 20 ICGD CC1=C(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CCO1 1807371104 PYIZRKCLXUDUIJ-NQIIRXRSSA-N 435.289 0.775 50 20 ICGD CC[C@H](Br)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1812775687 BWBHOAUXEPUUSF-KCQAQPDRSA-N 425.331 0.744 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C(=O)c2ccco2)[C@@H]1c1cccnc1 1813071053 OHJMKWUTBYHNRX-OXQOHEQNSA-N 441.488 0.936 50 20 ICGD CN1CCN(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)CC1 1814870363 QFVOEALRERQGEZ-JKSUJKDBSA-N 426.949 0.639 50 20 ICGD O=C(CC[C@H]1CCOC1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361868 SVLMOCWSMYQPED-XJKSGUPXSA-N 443.334 0.865 50 20 ICGD Cn1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)c1=O 1815415068 VEYYJWBCNBGHBH-SFHVURJKSA-N 449.276 0.408 50 20 ICGD CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n[nH]1 1815895201 GBDWNNNIXSCYQT-AWEZNQCLSA-N 439.306 0.648 50 20 ICGD CN1CCC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CC1 1817470499 SPPKEGLVRFWMRV-LJQANCHMSA-N 439.325 0.737 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824708912 BWICUJPZBXPQJK-NRFANRHFSA-N 438.337 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1csc(N)n1)CC2 1826085385 PYQFUHGFZLAGRE-SECBINFHSA-N 437.551 0.781 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCn1ccnn1)CC2 1826092042 JPTXMOIAKQZGCI-GFCCVEGCSA-N 434.526 0.110 50 20 ICGD Cn1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)cn1 1827059830 JLSBXGJRNJGIHP-NRFANRHFSA-N 438.337 0.576 50 20 ICGD O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725018 CPDXKXXOWHYDIV-DENIHFKCSA-N 436.936 0.774 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)c3cc(OC)nn3C)CC2)CC1 1833955975 MCORRVLLMPHLLP-MRXNPFEDSA-N 441.960 0.868 50 20 ICGD C[C@H]1C[C@]1(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738304 UKDZZZWBAFUGJF-WNSKOXEYSA-N 442.564 0.916 50 20 ICGD CC1=CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835930240 DXAIJODZJBFFGE-JPYJTQIMSA-N 442.321 0.183 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835997747 AHLRVQULNSPMOR-RTBURBONSA-N 446.331 0.541 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311163 OQBLDNOPUBRAJO-DYVFJYSZSA-N 435.308 0.397 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838346695 YRWWBYXBYOYZCM-KUHUBIRLSA-N 426.901 0.963 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838375966 RIIJBGFKHKSOTD-SJORKVTESA-N 433.292 0.489 50 20 ICGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)N1CCN(C)CC1 1839101835 URIKLASRMGYHHE-UTKZUKDTSA-N 445.004 0.344 50 20 ICGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839155360 RRXSQIWVHDYYSU-JQFCIGGWSA-N 443.393 0.793 50 20 ICGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cnn1C 1839197755 HUNLOXYZSIWZFK-XJKSGUPXSA-N 433.278 0.489 50 20 ICGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198377 YUGAYWCCBDEUCY-DGCLKSJQSA-N 446.111 0.918 50 20 ICGD O=C(c1cnn2c1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839532996 NJPJVWFNEIHQGA-PBHICJAKSA-N 445.289 0.590 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839962027 QQUYLDFRTGBSDE-QAPCUYQASA-N 441.326 0.649 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839988213 BYWMHBBAONSPGQ-KUHUBIRLSA-N 433.933 0.985 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1843416013 OBTFQBXDYOXEGL-ZMOGYAJESA-N 435.448 0.075 50 20 ICGD CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)C[C@H]1CO2 1845077900 WRDVQQSJESTGDB-YRVVQQKDSA-N 443.928 0.568 50 20 ICGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cn1 728511419 NEXRUYJZDPMQGO-UHFFFAOYSA-N 425.474 0.937 50 20 ICGD Cn1c(=NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)sc2ccccc21 731490345 MHOXOWOVFUBIIU-UHFFFAOYSA-N 427.471 0.897 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H](C)O1 732261282 LWDPWUFHLYIKDO-KBPBESRZSA-N 428.511 0.324 50 20 ICGD CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732337425 PGRNJSIGKLGIMJ-KRWDZBQOSA-N 443.416 0.749 50 20 ICGD Cn1nnnc1SCCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734824678 HQZUVYKGJHLOGL-UHFFFAOYSA-N 428.519 0.422 50 20 ICGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 737750980 KBOSJXHHZQWMKS-UHFFFAOYSA-N 430.552 0.682 50 20 ICGD O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 743251397 PBKVSNDTRBGEMN-ZCFIWIBFSA-N 432.263 0.646 50 20 ICGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 744566178 ZFLGVYIVKBWOJA-APHBMKBZSA-N 426.429 0.426 50 20 ICGD CC(C)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(C)n1 746506909 OTMPVBXZVZUXRJ-UHFFFAOYSA-N 435.506 0.639 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCCCCC2)c1 748463383 PNSWXEXKKAVDSR-UHFFFAOYSA-N 439.538 0.674 50 20 ICGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)cc2F)CC1 748627678 LZQWYQZMWKUNMU-OAHLLOKOSA-N 425.505 0.850 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 749955997 SRIYLZDGHWUORC-INIZCTEOSA-N 437.503 0.301 50 20 ICGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 750289497 RVIVIMJIFVIVRV-OAHLLOKOSA-N 431.493 0.946 50 20 ICGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC(F)(F)F 755663042 BYFDHZGISSAMNL-QMMMGPOBSA-N 428.389 0.727 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1N1CCOC1=O 763569728 APQQVVODAXXFRS-MRXNPFEDSA-N 426.385 0.569 50 20 ICGD CN(C)C(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 763575010 OMELDEXEJJSMAH-INIZCTEOSA-N 430.392 0.453 50 20 ICGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 763640600 PKBAKEDZXXVKGF-UHFFFAOYSA-N 426.351 0.877 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1-n1cnnn1 763649574 JPLVPHIPCIJEHV-UHFFFAOYSA-N 439.432 0.453 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763712440 QXHRUCMAEMJQOW-UHFFFAOYSA-N 427.461 0.646 50 20 ICGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763814535 WGFYJFYIIYLZGM-UHFFFAOYSA-N 448.432 0.407 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)ccc1N1C(=O)CCC1=O 763839815 MHFFZFVHYHXQCG-UHFFFAOYSA-N 442.403 0.952 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 763842113 BNDGOKHTHMVINI-UHFFFAOYSA-N 439.403 0.647 50 20 ICGD COc1ncncc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 763881463 FRQRILVOFWDVRV-VIFPVBQESA-N 438.238 0.801 50 20 ICGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764003389 CQRQKZPJGAXACI-UHFFFAOYSA-N 449.423 0.822 50 20 ICGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccsc1)CC2 764035717 RPDWTYJCSKHZFQ-UHFFFAOYSA-N 436.515 0.326 50 20 ICGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c2ccccc2O1 764243722 XBCQKEOUYROMJF-SFHVURJKSA-N 435.440 0.329 50 20 ICGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)CCCc2cccs2)cc1 764342147 BHTGBCXNHUVAIH-UHFFFAOYSA-N 438.531 0.906 50 20 ICGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)o1 764368168 SIJGCHHLPUZOFK-UHFFFAOYSA-N 428.854 0.891 50 20 ICGD COc1cc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 764421740 RKTDADCTNTZIPZ-RYUDHWBXSA-N 436.465 0.185 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 764428743 KQCUBHXHVAKHNK-DRKIFQHWSA-N 445.497 0.637 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(=O)n(-c3ccccc3F)n2)n1 766209181 NTVTVPULWVWZKJ-UHFFFAOYSA-N 445.432 0.683 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 767308767 RHWIZXVUUVEFFY-UHFFFAOYSA-N 438.440 0.700 50 20 ICGD CSCCNC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 769768972 IHGDYJMFZOOXAQ-UHFFFAOYSA-N 436.556 0.319 50 20 ICGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 775460808 LOUKHYNCESDILM-RTBURBONSA-N 446.552 0.165 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCO3)c1 777906643 DLMJWKNGTHBMTJ-UHFFFAOYSA-N 427.460 0.289 50 20 ICGD Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437275 XFMOFENJRCASNK-UHFFFAOYSA-N 430.465 0.745 50 20 ICGD COc1ccc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 781516261 OYUFAUGRLQXSMU-UHFFFAOYSA-N 447.517 0.847 50 20 ICGD O=C(NNc1ccc(Cl)nc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784871092 ANDWKDLZKBBJIN-MRXNPFEDSA-N 445.863 0.831 50 20 ICGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 784915942 RPRLMUCZKHXADH-UHFFFAOYSA-N 427.483 0.111 50 20 ICGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CCO1 785067272 JEQNPVJNBFCMJN-HNNXBMFYSA-N 436.472 0.888 50 20 ICGD Cc1cc(F)c(Br)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 790390583 SSMHRLFRUAUZTL-ZETCQYMHSA-N 432.293 0.144 50 20 ICGD C[C@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OCc2ccccc2)C1 793178395 ZQHWEMXFYMRJEZ-KXBFYZLASA-N 438.506 0.553 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 793218545 YWDHWSWHDJFHSP-UHFFFAOYSA-N 435.462 0.674 50 20 ICGD N#Cc1ccc(OCC(=O)NNC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 797673866 MXQBUROKDDFOMB-UHFFFAOYSA-N 444.473 0.969 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)[C@H](C)O)cc1 804954862 IUKWVDVZMBAUDY-GUYCJALGSA-N 431.478 0.142 50 20 ICGD COCCS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)cc1 805361309 VLYGEHAOWYMDLB-UHFFFAOYSA-N 431.478 0.909 50 20 ICGD COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 806977085 VHWAMJKXSADPLQ-UHFFFAOYSA-N 439.222 0.972 50 20 ICGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 811279633 UHFMKIGVANABGC-ZDUSSCGKSA-N 439.465 0.979 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815565381 MLIQDBJEGRHPKN-UHFFFAOYSA-N 438.444 0.890 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 815752050 ZRVXVUYVBVJDFW-UHFFFAOYSA-N 448.440 0.134 50 20 ICGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 914709787 AONPKGPFBWOZSB-HNNXBMFYSA-N 436.534 0.879 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 916645166 GTFUEGLYYPIPFI-UHFFFAOYSA-N 436.490 0.524 50 20 ICGD Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1C 917515571 RLUQPAITNSTMNL-UHFFFAOYSA-N 435.506 0.143 50 20 ICGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(C)cc3O)C2=O)cc1 918338933 PSOOBPMVBUQGJZ-OAQYLSRUSA-N 426.429 0.937 50 20 ICGD COc1ccc(CCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 919834039 JDZMBDMAPOMTAZ-UHFFFAOYSA-N 436.468 0.847 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 1327730143 WUWYMGUSUPRIAS-HNNXBMFYSA-N 425.492 0.110 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccoc3)CCO2)C1 1779028427 LMHCAXUYXMMIDC-WODVNSBQSA-N 425.445 0.435 50 20 ICGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)no1 1779123085 OQEOCGICGUQZQD-CZUORRHYSA-N 447.261 0.233 50 20 ICGD CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780854245 VPXFWTUFYKJBCS-JOCHJYFZSA-N 432.521 0.902 50 20 ICGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)NC(=O)NCc1ccccc1 1780970108 SBVBDMOIGYHTPV-JOCHJYFZSA-N 442.520 0.466 50 20 ICGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)Cn1cncn1)C2 1782175383 KYBOVKXRRINWGP-WFXMFSGNSA-N 427.933 0.682 50 20 ICGD Cc1ccccc1CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783303535 ZOTOPLCXVKQQOM-DEOSSOPVSA-N 436.317 0.751 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1783933602 AYTRRBWLZRSHRE-HTAPYJJXSA-N 429.521 0.399 50 20 ICGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccn1 1786986456 CKUBACGVIQCSIW-HRDWYUFVSA-N 437.305 0.158 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)c(-n2nccn2)c1 1789291067 XHVFFSLDIVNFNS-WQCNXYOZSA-N 447.923 0.769 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793106364 FWYFYFWGCAYMLV-AICCOOGYSA-N 433.933 0.500 50 20 ICGD CN(C)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794803311 OJEZWANQACBCRK-QDMKHBRRSA-N 437.504 0.712 50 20 ICGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)ccn1 1796747306 GIVVBTZPHFHLGU-NEBZKDRISA-N 443.273 0.934 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1799680343 ODQHEGSDTFJJCL-XFMPKHEZSA-N 433.933 0.684 50 20 ICGD CCSc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008948 JIQSCVHMFCFAPZ-CCWDJLKJSA-N 449.577 0.770 50 20 ICGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1 1804347938 KBNLUAAIECBFKF-GVXVVHGQSA-N 428.276 0.489 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2cccc(F)n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363188 YVYXQAIXCKGYQP-DYESRHJHSA-N 448.263 0.929 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(F)(F)Cl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366753 GVLXXRSMYJCSOA-HOCLYGCPSA-N 437.639 0.913 50 20 ICGD N[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)c1ccccn1 1809790420 LVCVELPIYQKUKY-FQEVSTJZSA-N 436.321 0.306 50 20 ICGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1ccnc1 1813068645 PKJPYJIIWBBEJS-BLIXFSHQSA-N 441.536 0.918 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(N)s3)sc2C1 1815199248 NIUZSYORBCBDAV-VIFPVBQESA-N 437.551 0.781 50 20 ICGD CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350357 RVSSHIAPZOTXJL-CZUORRHYSA-N 431.323 0.456 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470429 QZMTXOALWVCHMF-AEFFLSMTSA-N 441.297 0.310 50 20 ICGD Cc1nccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1818321254 YPGRQUDXWCFQLP-GOSISDBHSA-N 434.265 0.808 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(N)=O)n[nH]1 1821951403 BHTARDPJAKUULX-ZWGXDWAISA-N 442.480 0.801 50 20 ICGD Cn1cc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)cn1 1826934562 DSJRIHBIVKKOGO-HNNXBMFYSA-N 439.306 0.025 50 20 ICGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362488 XJOSRQWGHBRSET-LIRRHRJNSA-N 432.949 0.415 50 20 ICGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830537420 HNOUPHIKZCDASN-KSSFIOAISA-N 446.342 0.096 50 20 ICGD Cn1ncc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830731848 QVRLJXCQCIXDEQ-FXAWDEMLSA-N 436.896 0.243 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831387001 CTWVYVXQMLLJOP-HDMKZQKVSA-N 431.327 0.512 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831737262 WFRPPGUZVGZNPK-MEDUHNTESA-N 429.271 0.036 50 20 ICGD COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1832908581 LOTKZRJAEGUZHW-YLJYHZDGSA-N 441.912 0.079 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176592 MTYCZOPNZGENDT-YOEHRIQHSA-N 429.315 0.664 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc2c(c1)CNC2=O 1835625387 UUKYBSREMNRBKD-LJQANCHMSA-N 448.951 0.715 50 20 ICGD Cn1cccc1C(=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720652 ZBRYJGBGFNVIAY-QGZVFWFLSA-N 425.913 0.806 50 20 ICGD C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715296 HWNHPRWLZGFMRA-LPHOPBHVSA-N 439.589 0.222 50 20 ICGD CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715464 RKEYXMRVHZIUCO-OXJNMPFZSA-N 443.617 0.599 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338294 XLFPYEVFCXNFDP-MSOLQXFVSA-N 432.304 0.626 50 20 ICGD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839355239 RSRSCWOLZSYXRP-KDOFPFPSSA-N 445.831 0.404 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1839963838 XVBGSCAVSSZVRW-LRDDRELGSA-N 430.303 0.059 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840152707 QGKUGJKTSWTVKI-HNAYVOBHSA-N 427.885 0.414 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)C1 1841766189 GHAXAGGSWDJWGO-HNNXBMFYSA-N 437.541 0.572 50 20 ICGD CCOC(=O)c1ncn2cc(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)ccc12 1843124016 UOMJJWCMVQQLHZ-OAHLLOKOSA-N 434.880 0.928 50 20 ICGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108673 PCLYFFAWMOSUJE-ILXRZTDVSA-N 445.944 0.671 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 15639699 YCWMRJPKUXDVSZ-LBPRGKRZSA-N 448.478 0.260 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178190 DKEMEWOIKXDSRU-HNNXBMFYSA-N 431.536 0.050 50 20 ICGD CN(C)C(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728353643 LBPRBBADCJUPOJ-QGZVFWFLSA-N 427.413 0.533 50 20 ICGD O=C(NCCNC(=O)c1ccc(F)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728960446 YWQODFJYIOGLSI-UHFFFAOYSA-N 429.456 0.593 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731826423 BELZSLTZVQCHLY-UHFFFAOYSA-N 428.430 0.197 50 20 ICGD O=C(COC(=O)Cn1ncc2ccccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732326652 UMYVNTKRFMPTHU-UHFFFAOYSA-N 425.357 0.309 50 20 ICGD O=C(CCCc1ccccc1)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 743586187 VYQUIEBEZMLWBA-UHFFFAOYSA-N 435.506 0.886 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 747401097 CXAJTNVFOUQYKV-UHFFFAOYSA-N 433.509 0.393 50 20 ICGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 748552676 ITBTWMIVYQUFQS-UHFFFAOYSA-N 442.906 0.866 50 20 ICGD CN1C[C@@H](NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1=O 750653071 OAEILOSJBDJBRZ-NSHDSACASA-N 437.503 0.724 50 20 ICGD O=C(O)CCC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 751203649 VAONEUBGPLVNQC-QGZVFWFLSA-N 434.426 0.884 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C(=O)Nc1ccccn1 752081016 XYOPZUURPBLFMC-ZDUSSCGKSA-N 445.863 0.748 50 20 ICGD CCCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756711580 LKQIKCUQIHVTIN-NSHDSACASA-N 435.528 0.319 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)cc(OC)c1OC 756802867 VAYXWQPUNJGANC-QFIPXVFZSA-N 443.456 0.880 50 20 ICGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758839802 MPRDRWATJTYGNH-UHFFFAOYSA-N 427.446 0.549 50 20 ICGD Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1)C2=O 761739433 AIOHCPDGGMCUTC-UHFFFAOYSA-N 430.442 0.289 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763569737 BFMOOYJGAICSHM-MRXNPFEDSA-N 433.442 0.406 50 20 ICGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572180 PWEHOJIGRFONTM-QGZVFWFLSA-N 442.428 0.811 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)ccc1C 763680983 SEQSFRCGMCQQCM-UHFFFAOYSA-N 438.437 0.207 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 763682206 PFMNJOYCLRITHU-UHFFFAOYSA-N 428.401 0.581 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1 763718863 PJLUUNGPQNORPW-UHFFFAOYSA-N 434.430 0.065 50 20 ICGD O=C(NNC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 763784152 AIPHLEDASUHKDI-UHFFFAOYSA-N 441.469 0.688 50 20 ICGD C[S@](=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763808777 QNUBCPKYJBLUGQ-PMERELPUSA-N 434.430 0.638 50 20 ICGD COCCOC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763884993 ILBNUMSTYWJTLB-UHFFFAOYSA-N 432.437 0.481 50 20 ICGD NC(=O)C1CCN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cc2)CC1 763919147 RMAVEMKJUCOMBF-UHFFFAOYSA-N 441.463 0.856 50 20 ICGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)CC1 763979858 NJCFWABJLGSLBK-UHFFFAOYSA-N 426.477 0.121 50 20 ICGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 763992951 KZMVPYSUQFPUNH-UHFFFAOYSA-N 447.517 0.990 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c(Br)cc1F 764100158 WWDOUPOGUDWVLX-UHFFFAOYSA-N 442.201 0.806 50 20 ICGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764135251 FGEHNYYTPOEYQU-UHFFFAOYSA-N 428.445 0.539 50 20 ICGD Cn1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1=O 764152054 BWUSYLGQKWRUEN-CYBMUJFWSA-N 435.234 0.237 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1S(=O)(=O)N(C)C 764153627 MUFGBHUFHFFELV-INIZCTEOSA-N 446.485 0.335 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764158316 BTVJMTTWBXRVHM-UHFFFAOYSA-N 438.462 0.717 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764398261 QSEKVBNXODHJCH-HKTWGTONSA-N 425.385 0.451 50 20 ICGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)C2=O 765314272 YHLOGRDBXGPVSU-ZUOKHONESA-N 439.513 0.939 50 20 ICGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)NC(C)(C)C3=O)n[nH]2)cc1OC 765601619 UKSVGHTVOQQSHS-UHFFFAOYSA-N 430.421 0.185 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1 765748435 DLHDICAHAGDCQV-UHFFFAOYSA-N 439.516 0.438 50 20 ICGD CCc1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1S(C)(=O)=O 766166229 BDVDTKIUZIFLCI-UHFFFAOYSA-N 439.515 0.964 50 20 ICGD CC(C)(C)OC(=O)N[C@](C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 767685468 WBXUFGHQBGXBIF-LIRRHRJNSA-N 440.522 0.944 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 772130591 ATKDNOBRPGTFRW-XJKSGUPXSA-N 443.460 0.888 50 20 ICGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 772884349 JGCUEOXLQBCXTE-UGFHNGPFSA-N 434.880 0.667 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 773411432 LJYHELMTNBSTQR-CQSZACIVSA-N 432.543 0.453 50 20 ICGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 778997498 DDLSLKOCIRIBSX-INIZCTEOSA-N 431.537 0.533 50 20 ICGD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(CCCCl)cc1 779423814 WSYFHPMVOIMACV-MRXNPFEDSA-N 432.926 0.927 50 20 ICGD CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)CBr)cc2)CC1 782443970 FGUKLLYVXOAWAJ-UHFFFAOYSA-N 441.325 0.465 50 20 ICGD CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)n1 783999221 CAKSDSZHLDHOQX-UHFFFAOYSA-N 434.840 0.661 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1 784349737 BAGLQRAXAPHMHW-UHFFFAOYSA-N 443.416 0.817 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cn3)CC2)cc1 784684938 UTVXTVFNDJKYCV-UHFFFAOYSA-N 435.481 0.297 50 20 ICGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2nnn(Cc3noc(C)n3)c2C)n[nH]1 785181907 GKVUCDZPCFAQEM-UHFFFAOYSA-N 437.420 0.800 50 20 ICGD COc1cc(F)cc(NNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 785241432 JNVDFLFFWUENEL-UHFFFAOYSA-N 433.444 0.910 50 20 ICGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 786417716 XNOCVWFHKPMFCU-UHFFFAOYSA-N 443.395 0.526 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2)CC1 786425369 BLGIUSRKZGODJC-UHFFFAOYSA-N 444.579 0.422 50 20 ICGD COc1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 792595529 AWIFFHARNZLFRQ-GOSISDBHSA-N 430.413 0.777 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794068962 DJLMTVUHDDPVKG-HNNXBMFYSA-N 448.501 0.736 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 801188222 VLNSZVSGIJIBRA-UHFFFAOYSA-N 430.849 0.629 50 20 ICGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)s1 805879135 CNAJVBZLMHBSQS-ZJUUUORDSA-N 443.530 0.919 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1 806974957 ZQFOBIBLVLEIIH-UHFFFAOYSA-N 442.403 0.952 50 20 ICGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 807004092 GKEPSWJZNZQNOZ-UHFFFAOYSA-N 435.637 0.950 50 20 ICGD CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 808775432 AKRAIFXDHWGSJM-AWEZNQCLSA-N 445.611 0.523 50 20 ICGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 812727036 DTPHBMVAFRKXLM-UHFFFAOYSA-N 427.508 0.096 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1 912921096 KVPGYQJOQKJPRT-IYBDPMFKSA-N 438.550 0.731 50 20 ICGD NS(=O)(=O)c1ccc(CCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 917243699 SVOYAICQPWAGIZ-UHFFFAOYSA-N 439.877 0.924 50 20 ICGD O=C(NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1 917723135 ADOCPDFUAVQSHA-UHFFFAOYSA-N 431.427 0.650 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919689682 BMIATTDFXUHIET-LBPRGKRZSA-N 443.460 0.203 50 20 ICGD Cc1c(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)nnn1-c1ccccc1 919963932 VFTMWAMIYZQXIB-UHFFFAOYSA-N 427.490 0.873 50 20 ICGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](CO)NC(=O)c1ccccc1 920538208 GIMWHRBJLXDRRE-HNNXBMFYSA-N 449.847 0.444 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 920826658 NLGIPJHZHQMGQM-UHFFFAOYSA-N 430.486 0.895 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778516461 DVHFNXDLTVDSLP-JOCHJYFZSA-N 449.471 0.319 50 20 ICGD Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cs1 1782210919 ZNSKTTPQBIYQEL-OXQOHEQNSA-N 437.566 0.952 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)c1cccn1C)C2 1782214054 LEDLUIBTPKXSTM-VGOFRKELSA-N 447.536 0.095 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCSC1 1783201773 YSXHRGYERQVRNV-LRXVAGHRSA-N 446.378 0.637 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1783881908 NYSILFQYPOYWRY-SJCJKPOMSA-N 425.898 0.784 50 20 ICGD C[C@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)n[nH]c21 1783935503 UUCXEDUSXVIXBK-QKKBWIMNSA-N 432.525 0.276 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4ccccc4)n3)C[C@@H]21)[C@H](O)CCl 1784090379 CLUQVAYOWWOHAN-LLLHUVSDSA-N 433.896 0.460 50 20 ICGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092199 KCESUFUBLBSUOB-GDBWCXJXSA-N 439.896 0.336 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 1784729636 PMWZWILRNNYJIU-JTPBLVHTSA-N 426.322 0.780 50 20 ICGD Cc1cc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785250165 CHLVUIONBCPOKV-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1786406101 QPDQVGJBTSHMHS-DCAQKATOSA-N 427.242 0.861 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(C)c1 1786981195 YDDDVDOSSQXMIP-NYVOZVTQSA-N 436.317 0.890 50 20 ICGD Cc1ccc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982156 PGNKGZVLLJKRRQ-NDXORKPFSA-N 440.280 0.721 50 20 ICGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(O)c1 1786986515 KGDBVXHHGFJWAK-LRQRDZAKSA-N 438.289 0.288 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921538 NXOJOFVKXJFCMH-VLJOUNFMSA-N 443.335 0.337 50 20 ICGD CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789957217 MGJFFIXIJZMJPL-QAETUUGQSA-N 425.530 0.140 50 20 ICGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1791055674 DDYOJENOYKQYDZ-XUXIUFHCSA-N 432.315 0.592 50 20 ICGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC3)[C@H]2C1)NC(=O)NCc1ccccc1 1791881121 LICGTRSUDLMDIG-UFYCRDLUSA-N 443.548 0.722 50 20 ICGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(Cl)Cl)C4)nc2N1 1796106638 BMSHGBYZTVXOMF-GNXNZQSNSA-N 427.288 0.973 50 20 ICGD Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c2cccnc21 1796188636 AYWNTNIZRYYYMJ-BCDXTJNWSA-N 432.289 0.819 50 20 ICGD O=C1Cc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c2N1 1796189418 LLCGSNSVNNUQEH-BCDXTJNWSA-N 433.273 0.427 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571835 SNMGWCFUNNBEJY-MQPMOYQSSA-N 428.280 0.301 50 20 ICGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccccn1 1800206057 DSNBXROHBPMZHI-JBXGNFEISA-N 438.912 0.043 50 20 ICGD COC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1802599249 ONALFDXGSVNGQH-CRAIPNDOSA-N 440.504 0.825 50 20 ICGD Cn1cccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361019 DMLXGGNFBPTKLM-WIYYLYMNSA-N 432.289 0.733 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)c2ncccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369794 VWTVRODHECUHKF-HKUYNNGSSA-N 431.261 0.185 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccncc2F)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376058 RVINDXKFDMSLEB-DYESRHJHSA-N 448.263 0.929 50 20 ICGD COc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n1 1807875455 HMOIIHBAHTXWJV-UHFFFAOYSA-N 437.305 0.929 50 20 ICGD CN1CCC(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809968487 ZETOQSIMKVJJRS-UHFFFAOYSA-N 441.381 0.943 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CNC(=O)c3ccco3)C2)CC1 1810139460 MGHQPOLKPOZBHQ-UHFFFAOYSA-N 447.536 0.614 50 20 ICGD Cn1ccnc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298463 IOLCKSVYIZULED-MAUKXSAKSA-N 448.487 0.447 50 20 ICGD CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335502 BACCEVUUUHOATP-NVXWUHKLSA-N 442.350 0.533 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnnc2)n[nH]1 1816384808 DOKRLJBNPOWSFP-INIZCTEOSA-N 435.448 0.818 50 20 ICGD CN1CCCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470452 RIOSJHLAKQYWIB-OALUTQOASA-N 439.325 0.880 50 20 ICGD COC(=O)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CC1 1821996930 PFWUMBFBLXOOPH-MRXNPFEDSA-N 440.265 0.349 50 20 ICGD CN1CCCC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822589936 QYAINGSXPNIUOI-RDJZCZTQSA-N 442.350 0.533 50 20 ICGD COCCOCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826619602 YJVORMYMPUZRNJ-HXUWFJFHSA-N 432.326 0.263 50 20 ICGD Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)n(C)n1 1827050671 CHVZMTDOPGGERK-FQEVSTJZSA-N 438.337 0.955 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(=O)NN(C)C)CC2)o1 1827118051 PIZLIFPWJHFYGT-KRWDZBQOSA-N 434.541 0.913 50 20 ICGD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720056 RVRFDUGQKRZIGI-APWZRJJASA-N 441.868 0.193 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 1830726854 UOZSMYOXWMLEAO-YLJYHZDGSA-N 440.899 0.913 50 20 ICGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(O)nn2)CC1 1831112099 VNYQGJAJIZYTHE-CABCVRRESA-N 426.901 0.780 50 20 ICGD CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)CC1)C(=O)O 1831871661 WKCRDJSQBOULEH-IAGOWNOFSA-N 439.557 0.042 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833304435 IRSSQKKVWSNIPT-FOIQADDNSA-N 438.912 0.658 50 20 ICGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1833864733 OJMGZSODEPXLJS-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1)c1cccc(B(O)O)c1 1834799929 FOGUBMBAAWOHOL-SFHVURJKSA-N 435.280 0.207 50 20 ICGD C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836857631 SYRQPYYUCRGMIZ-QGZVFWFLSA-N 442.321 0.017 50 20 ICGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cnn2c1 1836950514 WSYVHXSCHSDGTF-GOSISDBHSA-N 442.303 0.911 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837288897 JJHRPJMMHJMGJB-GMHRPJKWSA-N 444.370 0.566 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1837717298 BFKRQAJNTYXTEH-HXUWFJFHSA-N 438.601 0.971 50 20 ICGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1)C(=O)O 1837886602 OIGCJBSVOSKCJP-HOTGVXAUSA-N 433.933 0.302 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1838082846 PEHJUXZAUSFPAT-MRXNPFEDSA-N 441.891 0.832 50 20 ICGD O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838686876 IXXQZLFVTHPGFV-GHTZIAJQSA-N 448.907 0.746 50 20 ICGD CCOC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)ccn1 1838720560 SRIKNUPDVOAZCK-DNVCBOLYSA-N 443.859 0.863 50 20 ICGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839048011 GWVQOWCGVDDEGA-AEFFLSMTSA-N 425.848 0.263 50 20 ICGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839144735 JPZNTPLGHMFWEZ-VKJFTORMSA-N 430.958 0.487 50 20 ICGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839648044 PRTTXIMHUQUPJC-ZVXABGALSA-N 436.278 0.173 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840150285 IRZCRRVNQOEODC-JXFKEZNVSA-N 440.928 0.471 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1840150947 UKENKHOFPOLLRU-CRAIPNDOSA-N 431.942 0.704 50 20 ICGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448780 IZESBVOLGUQYAH-YOEHRIQHSA-N 444.330 0.298 50 20 ICGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1840792128 WBFWOWNGHYWMCQ-KUHUBIRLSA-N 430.860 0.504 50 20 ICGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1ccccc1 1840799843 RTXJATZALWQXSV-FXAWDEMLSA-N 441.887 0.797 50 20 ICGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1841344989 RFYAHRAFSSLEQF-KGLIPLIRSA-N 429.477 0.091 50 20 ICGD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010608 KNQAWHKMXOHWST-UHFFFAOYSA-N 437.261 0.724 50 20 ICGD O=C([C@@H]1C[C@@]12C(=O)Nc1ccccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012403 LUZXOKZHTRWMNL-UUOWRZLLSA-N 445.284 0.093 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c(C)nn(C)c1C)C2 1843415314 LLJJFVXNBLQLEN-OEAKJJBVSA-N 425.493 0.988 50 20 ICGD O=C(CCn1c(=O)oc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848152237 BWYUJKBRMWICFG-ROUUACIJSA-N 449.272 0.180 50 20 ICGD O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1ccccc1 3467824 ONXPBIRCRJZFAN-UHFFFAOYSA-N 426.341 0.195 50 20 ICGD O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)C(=O)NC1CC1 10214007 XAWWBUBIUGOEBV-UHFFFAOYSA-N 437.250 0.251 50 20 ICGD CCn1nc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2ccccc2c1=O 17190225 ASKWOTHNKZSPQO-UHFFFAOYSA-N 434.456 0.987 50 20 ICGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CNC(=O)c1cccs1 725741529 PIXRMGCSQXIWFM-UHFFFAOYSA-N 428.467 0.133 50 20 ICGD CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)O 727720712 VRNBKMQPHWLRJF-UHFFFAOYSA-N 432.418 0.383 50 20 ICGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(C#N)c2)cc1OC 728873232 VZIMJTRAZZWBDL-UHFFFAOYSA-N 432.458 0.705 50 20 ICGD CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 730457679 KVIQWLJVOFEIPV-STQMWFEESA-N 448.588 0.933 50 20 ICGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccc(OCC(=O)N2CCCC2)cc1 730558710 PIBZORXRDPRPJG-UHFFFAOYSA-N 446.489 0.917 50 20 ICGD O=C(CNC(=O)c1c(F)cccc1Cl)NNC(=O)c1csc(N2CCOCC2)n1 730584921 HYEVKPMPTUUNKO-UHFFFAOYSA-N 441.872 0.963 50 20 ICGD C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 731220288 BGMQNAUTLPYCFX-HZPDHXFCSA-N 448.524 0.063 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)cc1F 732046006 PPVJKJMWSGCZRL-AWEZNQCLSA-N 428.369 0.901 50 20 ICGD COc1ccc(NCC(=O)NNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 743294088 QVEKLBLHAFFWJT-CYBMUJFWSA-N 445.501 0.772 50 20 ICGD Cc1nnnn1-c1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 745101467 KHVZUJZDGJLORT-UHFFFAOYSA-N 429.824 0.824 50 20 ICGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2=O)c1 747952555 BIQLYSWYLLYFJI-MAUKXSAKSA-N 426.495 0.190 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCc3sccc3C2)nc1 755860393 ZDNTXTKEFHDRDM-LLVKDONJSA-N 438.535 0.796 50 20 ICGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1F 756818682 PCUWMPNIRCKYLU-QMTHXVAHSA-N 426.401 0.075 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1 757772520 NRTFDRHBKWJYKX-KBPBESRZSA-N 432.481 0.936 50 20 ICGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3nc(O)c4ccccc4n3)cnc21 758307524 NRCRISDZAMZSIG-UHFFFAOYSA-N 445.237 0.685 50 20 ICGD O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NNc1nccc(N2CCOCC2)n1 762855420 NQRNHIKUXKDSOI-UHFFFAOYSA-N 425.449 0.522 50 20 ICGD Cc1nnc(-c2cccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)c2)n1C 763681347 KIZSLGVMLBPSFH-UHFFFAOYSA-N 433.428 0.827 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 763684147 GANOQTYILWJFTD-UHFFFAOYSA-N 425.405 0.226 50 20 ICGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763812089 CEMTZZAQILGITE-UHFFFAOYSA-N 448.443 0.958 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 763878731 UAIDOFACEJBOFR-NSHDSACASA-N 430.392 0.681 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4ccccc4c3)cn2)CCN1 764062140 QTGUBNGGYYOTIO-UHFFFAOYSA-N 432.440 0.571 50 20 ICGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c(OC)c1 764286147 GAMFPWJUILSQLZ-UHFFFAOYSA-N 443.395 0.527 50 20 ICGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1 764314153 PVHQKDMZMLKMHD-UHFFFAOYSA-N 437.456 0.802 50 20 ICGD O=C(CCn1c(S)nnc1-c1cccs1)NNC(=O)CNC(=O)c1cccnc1 764344652 GWCPMWAVKIGDRL-UHFFFAOYSA-N 431.503 0.658 50 20 ICGD COC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 765367178 QVNRJCPVNQUUOC-UHFFFAOYSA-N 426.477 0.772 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)n(C)c1=O 765730733 NNXZRSDRTSICSF-DLBZAZTESA-N 446.467 0.538 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)ccc3O)CC2)cc1 768290275 FLUMTBXFPPQGMT-UHFFFAOYSA-N 446.529 0.777 50 20 ICGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cn1 770208944 QBSNISSPAFGVHV-UHFFFAOYSA-N 444.473 0.355 50 20 ICGD CC(C)[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1CCCS1(=O)=O 772883546 CUCWBFIVJDRGTR-CQSZACIVSA-N 430.914 0.164 50 20 ICGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 774010771 ZIXRYNJLAURPIL-VIFPVBQESA-N 444.835 0.869 50 20 ICGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781964557 JPIUJIIRXPDGSC-ZBFHGGJFSA-N 438.893 0.249 50 20 ICGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNc1ncncc1Cl 782166268 OLDNZIPOSWJYGB-UHFFFAOYSA-N 434.840 0.835 50 20 ICGD COc1ccc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)cc1OCC(N)=O 783349233 FNRPWVDJYACLBN-UHFFFAOYSA-N 429.458 0.683 50 20 ICGD O=C(Cc1cc2c(cc1Br)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 784359606 JSACFFMDUUUBCW-SNVBAGLBSA-N 448.295 0.280 50 20 ICGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 788177933 MWBIEGZRRRBKOX-OAHLLOKOSA-N 443.489 0.877 50 20 ICGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 809933292 ZQRVEJRFPGIDRO-MRXNPFEDSA-N 439.476 0.191 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCS(=O)(=O)N(C)C 811852774 FZMJAJBNOAAYCS-SNVBAGLBSA-N 437.316 0.438 50 20 ICGD C[C@@H](C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)S(C)(=O)=O 915357391 CUIIRSZXXDFXCR-JTQLQIEISA-N 431.517 0.743 50 20 ICGD Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NNC(=O)CN1CCCC1=O 920824718 BDSDRNNVIYTUIE-UHFFFAOYSA-N 444.513 0.857 50 20 ICGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)NCCc2cccs2)cc1 920833121 ZMXLHYXDERVHKS-UHFFFAOYSA-N 426.476 0.298 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)c2ccccc2)cc1C 920855723 YTEXXSMSDSFAMU-QGZVFWFLSA-N 432.502 0.677 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779034164 OLZCTOYNMWBQPH-OAQYLSRUSA-N 429.521 0.955 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccccn1)C2 1782208928 BOMRCKKCRGDEFT-AUSIDOKSSA-N 445.564 0.901 50 20 ICGD O=C(CC[C@H]1CCOC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782770581 URIRXIYLGFVUFU-XTQVGHSUSA-N 444.337 0.311 50 20 ICGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)CCO2 1783142062 STRGOZOWEKEOHK-CJRTWVEFSA-N 432.427 0.838 50 20 ICGD COc1ccc(COCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1784095065 CIUQXGUZGFTKIW-PXNSSMCTSA-N 426.897 0.641 50 20 ICGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1(F)F 1788610823 BLZIEUCARLZBEE-MBIOBJJBSA-N 437.447 0.324 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccoc4c3)C[C@@H]21 1791289330 UDSYQHHHDNLVQT-QOKNQOGYSA-N 443.504 0.794 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298164 FTWSEQBDEZWOAZ-XDQVBPFNSA-N 439.292 0.265 50 20 ICGD Cc1c(Cl)cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792671212 KDPKIZTXKCZFEP-CWPLJXCYSA-N 442.708 0.845 50 20 ICGD COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793880944 MBZABMQCLYSWAY-FQLMCAECSA-N 433.933 0.745 50 20 ICGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1C 1795734973 CXWUDHQFXFHVRB-RMFSNUHRSA-N 438.289 0.200 50 20 ICGD CN(C)C(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795899458 RKLAWEQBAKGKBO-CRWXNKLISA-N 430.933 0.845 50 20 ICGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436790 ZWYKDOBWARROJJ-JYYAWHABSA-N 435.974 0.409 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C)C2 1796439569 LYLYSTSBUBQCCU-BOHRSDJGSA-N 444.536 0.194 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1796441711 TUWUCYLWQMMGPI-NSKVJOCLSA-N 440.460 0.124 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988942 SYDXXPZWQQXEDL-BTTYYORXSA-N 429.385 0.860 50 20 ICGD Cc1ncc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)[nH]1 1803814513 ZZVGHXHIFZIIJS-HNAYVOBHSA-N 448.487 0.745 50 20 ICGD O=C(Cc1ncccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804692953 XUBZVRWQPWGKAK-GCJKJVERSA-N 445.288 0.114 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnc(N)s2)[C@@H]1c1cccnc1 1807278126 UHYWKGXCVZRQEU-KDOFPFPSSA-N 445.549 0.813 50 20 ICGD C[C@H](Br)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807712255 OXLVCFXTOLQTDL-VLVIQNCWSA-N 425.327 0.594 50 20 ICGD CN1CCC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)C1 1813072162 CKECIHIJUIRRTQ-CNNODRBYSA-N 444.580 0.802 50 20 ICGD CN(CC(=O)N1CC[C@@H](CNC(=O)C(Cl)Cl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1813081119 IYQBECLUQDOFKU-AAEUAGOBSA-N 431.276 0.434 50 20 ICGD O=C(CC1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814605426 CCAFUYUYFFFGPY-MRXNPFEDSA-N 443.334 0.865 50 20 ICGD CCn1nccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816559202 ARRGAMSEVAZHLD-KRWDZBQOSA-N 436.281 0.926 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnco1)CC2 1819793010 GOBKURUWPZZXDY-VIFPVBQESA-N 427.446 0.669 50 20 ICGD CC(=O)OC[C@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1819852281 VLVMUKQFSXMTDA-UHTWSYAYSA-N 447.897 0.150 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1ccc(O)nc1 1821480851 QRDFMTKJCPKOST-AWEZNQCLSA-N 438.274 0.463 50 20 ICGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](COC)NC(C)=O)[nH]n1 1822372847 OZOYUCYBQYOOBN-AEGPPILISA-N 429.905 0.807 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)NN(C)C)CC1 1823792507 GSIFRLGYYLLNJR-MOPGFXCFSA-N 437.585 0.894 50 20 ICGD Nc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cs1 1826963518 BTXLBMXKIKUUCR-SFHVURJKSA-N 442.350 0.952 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)n[nH]2)CC1 1826999837 GRHSRLLUPYDXBJ-SFHVURJKSA-N 426.282 0.342 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)no2)CC1 1829362959 GZSAIJZYUXJADZ-KRWDZBQOSA-N 427.266 0.607 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1831641290 XWUCCKLZWRCPBP-MGPUTAFESA-N 441.912 0.165 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1831651955 VCMHROYTDGSKET-KVWGNXHNSA-N 427.929 0.685 50 20 ICGD Cc1nocc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834247872 OZYHHZHVXAQIAO-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835677195 AWWZVSYEZCHFKO-HXUWFJFHSA-N 440.617 0.576 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)c1 1837952688 RYXVDCOVHUQBLL-GOSISDBHSA-N 442.310 0.945 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838388910 BJJXFHPXONPSME-XLIONFOSSA-N 427.929 0.966 50 20 ICGD COc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1839357246 FKYFGRSBVQMXLY-YLJYHZDGSA-N 426.897 0.673 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840149849 BYFZKRRQGCBYOY-JTDSTZFVSA-N 428.917 0.229 50 20 ICGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270904 OCKOSSWXAUBFBO-AYMQEEERSA-N 437.306 0.684 50 20 ICGD COC(=O)C12CC(C(=O)N3CC4(CCCN4C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)C3)(C1)C2 1843416807 CRUSJSIHKNOURQ-ZVHZXABRSA-N 441.488 0.667 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1846363598 RLXWOLTWULKNIA-CQSZACIVSA-N 433.933 0.985 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 1847763078 WAHIRVRGNIPCQH-ACRUOGEOSA-N 433.273 0.375 50 20 ICGD C[C@@H](NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1)c1ccccc1 10215781 CASFWDIRJIDXMB-CYBMUJFWSA-N 430.486 0.766 50 20 ICGD Cc1nnc(NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)[nH]c1=O 11548202 LGMAVBYPKHCQRO-UHFFFAOYSA-N 432.506 0.506 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)n1 14919095 GDJXVNFOWAVCQL-UHFFFAOYSA-N 437.547 0.148 50 20 ICGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)COc1ccc(Br)cc1 16508039 OHYGHOTXQXMATC-UHFFFAOYSA-N 448.281 0.855 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 28876216 UVTNZEYBWYJQCY-ORAYPTAESA-N 439.424 0.798 50 20 ICGD COc1ccc(C(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c(OC)c1 729968987 HLBXXGSCKVXOOS-UHFFFAOYSA-N 441.437 0.503 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccsc3)CC2)cc1 734331754 DVSBFOBCJFIJAO-UHFFFAOYSA-N 436.559 0.753 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(-n3cccn3)n2)cc1OC 736933206 FTUDDBDCIPFNPI-UHFFFAOYSA-N 425.401 0.903 50 20 ICGD COc1ccccc1CC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 741910158 BEKYEHQLJSMKDB-UHFFFAOYSA-N 433.486 0.561 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 742576458 BZMVZDNJSKCFDB-GJZGRUSLSA-N 440.522 0.812 50 20 ICGD CCOc1ccc(O[C@@H](C)C(=O)NNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 743731162 WNZWVCZJSBMSPL-ZDUSSCGKSA-N 432.462 0.838 50 20 ICGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620843 PDPWCDXDYKWJGF-UHFFFAOYSA-N 438.466 0.654 50 20 ICGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Cl)c2)s1 746094846 GHVUJCFHEAFTBM-UHFFFAOYSA-N 444.922 0.777 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2c(s1)CCCCC2 746385525 FZAYFUWSESBWFH-INIZCTEOSA-N 434.562 0.959 50 20 ICGD CC(C)(C)OC(=O)[C@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCO1 747499977 GGKOTAXEICQWKA-OAHLLOKOSA-N 434.497 0.476 50 20 ICGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2O1 751538769 OWGFPESTNJFTFM-QZTJIDSGSA-N 448.453 0.703 50 20 ICGD COc1cc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC(C)C 753104953 MANLXVBGZRAVJE-CYBMUJFWSA-N 428.511 0.708 50 20 ICGD CCc1cc(Br)ccc1NNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 753173190 IUSDFFCXBUFPOK-UHFFFAOYSA-N 444.311 0.860 50 20 ICGD CNC(=O)COc1cccc(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758512555 NUVGWOUTHNVXLR-UHFFFAOYSA-N 448.339 0.180 50 20 ICGD COc1ccccc1N1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC1 760239377 KSNYEDKGYBSQRF-UHFFFAOYSA-N 432.506 0.352 50 20 ICGD CCN(CC)c1ccnc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 762914629 WZVLEZILAHGYTC-UHFFFAOYSA-N 449.537 0.446 50 20 ICGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763570345 DOLLPYDVWYKPDX-OAHLLOKOSA-N 431.376 0.928 50 20 ICGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 763631291 XWCKHDPDGJIFKD-UHFFFAOYSA-N 434.474 0.209 50 20 ICGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Br)c2)cc1 764063690 WIHJEEDPTGXGQC-UHFFFAOYSA-N 449.261 0.974 50 20 ICGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 764225706 CMERADOFOBDTJK-DYVFJYSZSA-N 443.485 0.366 50 20 ICGD CC(C)c1nc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2s1 764229910 DUYOZVXBYUHPRD-VIFPVBQESA-N 427.508 0.443 50 20 ICGD COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 764362310 DCVGGSOAXBCLRT-UHFFFAOYSA-N 429.355 0.864 50 20 ICGD O=C(NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)Nc1ccc(-n2nccn2)nc1 764387304 JLOZLASETIRCHY-UHFFFAOYSA-N 435.379 0.591 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1I 764430069 RQVMYBBFLAPSLA-NSHDSACASA-N 433.202 0.101 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 764548650 VBOOQWWRDRXYFS-GFCCVEGCSA-N 432.458 0.703 50 20 ICGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c1cccs1)C2=O 768705058 NLQSIYVKFMEUFK-IBGZPJMESA-N 436.490 0.943 50 20 ICGD CCCn1c(=O)nc(O)c2c(C(=O)O[C@H](C)C(=O)NNC(=O)CC)cc(C3CC3)nc21 771975805 UWIYRGIODBAIBB-SNVBAGLBSA-N 431.449 0.887 50 20 ICGD O=C(NN=Cc1ccc(O)c(C(=O)O)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 777417921 DYVOGDQHBAXWJY-UHFFFAOYSA-N 433.442 0.875 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nc1C 778429780 NMDARMZOCRZGEX-FQEVSTJZSA-N 426.433 0.872 50 20 ICGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)n(C)c1 778692360 XWIPIVWEJJVESY-UHFFFAOYSA-N 441.535 0.473 50 20 ICGD COC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nc1C1CC1 779968450 SYQIGCNBMPBUAV-UHFFFAOYSA-N 436.432 0.866 50 20 ICGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)c1 782833237 ZNDUKLZGNLOTAP-UHFFFAOYSA-N 441.488 0.864 50 20 ICGD Cc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(OC[C@H]2CCCO2)c1 783429030 ZGEAEXKYFNMGLV-AUUYWEPGSA-N 425.507 0.689 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 784004502 PARGWVBPNZSVHZ-UHFFFAOYSA-N 431.408 0.590 50 20 ICGD O=C1Cc2cc(NC(=O)C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)ccc2N1 784212917 HOGVVLNQMYAFRA-UHFFFAOYSA-N 429.458 0.704 50 20 ICGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 784671636 WPRYBKXOOCQXNH-UHFFFAOYSA-N 433.442 0.172 50 20 ICGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 787542592 BKWBPTHIWYOZPR-UHFFFAOYSA-N 440.456 0.876 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cccn2C)c1 787929096 XRBICABHPNAXJR-UHFFFAOYSA-N 435.506 0.247 50 20 ICGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(=O)c1 790461364 DNDLVSGFZHSCBG-QFIPXVFZSA-N 439.472 0.660 50 20 ICGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 793228069 JMDMATGXCTWAJF-UHFFFAOYSA-N 448.461 0.659 50 20 ICGD O=C(NNS(=O)(=O)c1ccc(OCCBr)cc1)[C@@H]1CCS(=O)(=O)C1 799520310 SVDFWOSALNXUNS-SNVBAGLBSA-N 441.325 0.205 50 20 ICGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 800353200 QWAZLBWMUVJMCJ-HXPMCKFVSA-N 437.474 0.462 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 801108027 DRHIVNYDXYAFDS-UHFFFAOYSA-N 429.458 0.505 50 20 ICGD CN(C[C@@H]1CCCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1)S(C)(=O)=O 805109231 CPPVQHGTXIPJDK-HNNXBMFYSA-N 434.522 0.830 50 20 ICGD N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 810384617 HGDBRZILSZHRHB-INIZCTEOSA-N 433.384 0.065 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 812560606 LJWGZTNWTLDGGG-AWEZNQCLSA-N 447.492 0.938 50 20 ICGD O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 812910705 CKPZZZSNVUDOEP-KRWDZBQOSA-N 440.412 0.360 50 20 ICGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 815693515 ZZNMNJQISUUKBD-CYBMUJFWSA-N 444.448 0.200 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@H]2c2cccc(C)c2)cc1OC 848950209 BRMOBYWASDVZRX-HXUWFJFHSA-N 426.473 0.946 50 20 ICGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 871595858 UXGWMVHMXURKEG-UHFFFAOYSA-N 443.323 0.919 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1C 912921757 VYLAMRXSXTWLBR-IYBDPMFKSA-N 426.539 0.228 50 20 ICGD CCCn1nc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)c2ccccc2c1=O 917390168 CHSOEHZCOBSJGB-UHFFFAOYSA-N 449.533 0.773 50 20 ICGD O=C(NNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 919884697 KLPGLXJHMXWJTD-JTGQJZMRSA-N 434.518 0.456 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn(C)nc2C)c1 1323622432 RCSKYIOBURGZBZ-UHFFFAOYSA-N 429.524 0.382 50 20 ICGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4n3)C2)C1 1777730992 BKUOFTYEWNGZRQ-QHCPKHFHSA-N 446.272 0.067 50 20 ICGD CC(C)C1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779034160 OLZCTOYNMWBQPH-NRFANRHFSA-N 429.521 0.955 50 20 ICGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](F)Br)CCO4)C3)CC2)CC1 1781107916 IROZQIPRZJAYGT-RHSMWYFYSA-N 447.349 0.287 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783168681 XXVIASBXEONFRY-NCVDBNGNSA-N 444.438 0.838 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783355880 ZFQOUMKHUVDCGQ-AFAVFJNCSA-N 435.315 0.606 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCCc3ccncc3)CCO2)C1 1783933776 XPQMVNMQMGVNKB-QFIPXVFZSA-N 431.537 0.607 50 20 ICGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)nn1C 1784241144 IEYSGJAZWSTKME-PCBIJLKTSA-N 431.306 0.941 50 20 ICGD Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)cccc1=O 1785870829 DOJQRMGSUVJCHK-UHXUCMFUSA-N 430.274 0.669 50 20 ICGD CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786397595 DUWOLHDFJSFBNY-FHWLQOOXSA-N 431.537 0.722 50 20 ICGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)c1ccco1 1789922703 OJUWZPXWSAQXAP-UHXUCMFUSA-N 446.273 0.680 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)N1CCN(C)CC1 1789923593 WRPYAHJZFHGONI-QXKUPLGCSA-N 449.365 0.293 50 20 ICGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1790961501 LCZNVXYLPTWGMA-KQXIARHKSA-N 443.298 0.655 50 20 ICGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c(-n2nccn2)c1 1792979103 UMATYWINYJDSSL-DACLVMHWSA-N 433.896 0.379 50 20 ICGD CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)[C@@H](O)C1 1793115717 UAVPEFQYJXHEFH-OHQCYIMMSA-N 445.944 0.452 50 20 ICGD C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881125 QCMIDEZYRAAONH-NIFZNCRKSA-N 432.949 0.303 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cn2c(Cl)cccc2n1 1796852972 NBZGEQKOERKBBM-DZJQYVJYSA-N 427.288 0.791 50 20 ICGD CN1CCCn2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)cc2C1 1802338559 OIQBPCJQWLWFTA-BJWYYQGGSA-N 445.568 0.343 50 20 ICGD CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803618243 RIGJJIZIRDQSDU-JHOJWFKBSA-N 433.553 0.867 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H](Cl)COC)CC2)C1 1805959269 BBAFRMUKHWASAJ-HUUCEWRRSA-N 437.990 0.799 50 20 ICGD Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361563 RSAGMLBAOGJDCK-WIYYLYMNSA-N 445.288 0.493 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364118 RZKIYLJOMXGTIG-KNQAVFIVSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369934 ZEDTVUYQAJUUTC-XLIONFOSSA-N 431.261 0.185 50 20 ICGD CC(=O)C[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813009333 MBYCNMOLSWNMQO-DLVCFXQMSA-N 437.305 0.696 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1c1cccnc1 1813074122 PHVDFMDPSKQPNH-WMUCXUQKSA-N 439.520 0.897 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1CCCCO1 1814504516 RWBKXZAOLSEBOS-MSOLQXFVSA-N 426.282 0.965 50 20 ICGD Cc1ccn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC(=O)NN(C)C)[nH]n2)n1 1815957778 QQFTYGSGPSSAEX-MRXNPFEDSA-N 430.513 0.980 50 20 ICGD CC(C)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471662 VDBMDFUGJYZMEE-GOSISDBHSA-N 427.314 0.784 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1ccnnc1O 1820053157 ZVWCUMPNLULQBA-MRXNPFEDSA-N 436.237 0.205 50 20 ICGD Cc1cc(C)n(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)n1 1826080580 SMHYVXKVHRJFPI-AWEZNQCLSA-N 447.565 0.942 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1827559255 HQJPTNUXDRUGFU-RTBURBONSA-N 444.341 0.047 50 20 ICGD C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1829260114 FVMQZBSTCGAZJP-UTKZUKDTSA-N 433.892 0.671 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830922202 DIYRJPJPTUACBH-PXNSSMCTSA-N 425.913 0.643 50 20 ICGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1831651012 MTBLOFBRQMAUKQ-KXBFYZLASA-N 440.884 0.652 50 20 ICGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n(C)n1 1834819111 HMGLJLMDMCURBF-KRWDZBQOSA-N 429.315 0.584 50 20 ICGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834819253 MJHWEUFSFSQSSV-GOSISDBHSA-N 443.342 0.741 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835808504 YYVQIIVWLHNNJJ-SJCJKPOMSA-N 432.930 0.358 50 20 ICGD C[C@@H]1C[C@]1(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836364168 GGPSWXFPSVKZRC-MWTRTKDXSA-N 427.354 0.598 50 20 ICGD O=C(/C=C/C1CC1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836730446 VXJQEWNQCCBPSZ-FPYGCLRLSA-N 426.322 0.945 50 20 ICGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)c1 1837952689 RYXVDCOVHUQBLL-SFHVURJKSA-N 442.310 0.945 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1838531626 VUKMDKHFNSXNFN-SFHVURJKSA-N 442.310 0.240 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838857067 PMUPJBCSSGYDRT-NRFANRHFSA-N 436.484 0.269 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630864 WMYZGYBORBUPAB-IFXJQAMLSA-N 437.884 0.282 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839962863 TXWPWEASJSTPLQ-QAPCUYQASA-N 443.342 0.972 50 20 ICGD O=C(Cc1ccc(F)cc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839976974 CVSSBBIDVMFBKW-QFBILLFUSA-N 432.851 0.563 50 20 ICGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030058 ZKCODPYIJNZSNB-JNJICJOQSA-N 444.326 0.085 50 20 ICGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840030651 RJJZCEVSLYYOES-HNAYVOBHSA-N 446.386 0.958 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840154136 MKQVNVQAWKVPDL-UZLBHIALSA-N 442.896 0.725 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840156612 WRXSHNXECHVUEN-FOIQADDNSA-N 444.887 0.915 50 20 ICGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410953 XYJSEKMPPZQHAO-ROUUACIJSA-N 447.319 0.548 50 20 ICGD O=C(CCCc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840510086 KIMOVNHXHSCPQY-PXNSSMCTSA-N 425.913 0.460 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648693 YVLLFYMKTUONOJ-OXQOHEQNSA-N 439.896 0.109 50 20 ICGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841286566 NENHTBVXYSTHST-CYBMUJFWSA-N 436.372 0.646 50 20 ICGD O=C(c1ccc(-c2ncc[nH]2)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015573 QCKGSSSXSNCOOM-UHFFFAOYSA-N 430.273 0.887 50 20 ICGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ccc1F 1844265528 MARSHJAKLKSGQG-UHFFFAOYSA-N 427.436 0.964 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845220196 GTBBPBGPLGHVPU-OLZOCXBDSA-N 430.278 0.351 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1846070392 GVEQWUOYQHVMFK-HNNXBMFYSA-N 429.359 0.527 50 20 ICGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1846070966 OFJMXFJTFRFDFE-KBPBESRZSA-N 433.299 0.858 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1OCC(N)=O 18055439 BWKHFLNCPHJQTM-NSHDSACASA-N 435.408 0.936 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 108097533 LVJPEXSUFHFIHV-UHFFFAOYSA-N 439.476 0.646 50 20 ICGD NS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1F 730077406 WYRCGQJDQHOEDG-UHFFFAOYSA-N 428.467 0.671 50 20 ICGD Cn1nc(C(=O)NNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2c1=O 732257508 QTQQXLTXFCFVRC-UHFFFAOYSA-N 431.412 0.293 50 20 ICGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)C1=O 733085507 FWUVZKWFPDMPLD-UHFFFAOYSA-N 440.412 0.212 50 20 ICGD COCCOc1ccccc1C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117012 KUTGMKSUBCJFDP-UHFFFAOYSA-N 449.533 0.800 50 20 ICGD O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)N1CCOCC1 745987788 GJIRCQMCLRIDQA-UHFFFAOYSA-N 439.266 0.898 50 20 ICGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)Cc3cn4ccccc4n3)ccc21 746552924 AEEXHQSIDHCVSD-UHFFFAOYSA-N 434.456 0.363 50 20 ICGD Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 747597106 FGXXBQXGVOYCTD-UHFFFAOYSA-N 426.882 0.774 50 20 ICGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748245973 AYPLXEACYBZEFT-OAHLLOKOSA-N 442.563 0.165 50 20 ICGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)ccc2O1 751549068 VUSIQMCDOKCYAA-HNNXBMFYSA-N 427.479 0.168 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3cccc3)nc2)CC1 753339040 GQQHAHKDWYLUJS-UHFFFAOYSA-N 441.517 0.960 50 20 ICGD COC(=O)C12CCC(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)(CC1)C2 760068030 XRTWLIHDJKYPOT-UHFFFAOYSA-N 429.882 0.872 50 20 ICGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cc1 760440089 WKUCUZZVNHDFCM-UHFFFAOYSA-N 428.511 0.590 50 20 ICGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)C2=O 760440154 RTXYSPSBDCPSGG-BLVKFPJESA-N 425.486 0.549 50 20 ICGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2O)cc1OC 763530783 ZRSRLFGIEYMRQQ-UHFFFAOYSA-N 436.446 0.562 50 20 ICGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc21 763549360 YMIZYHDTHJVVNU-UHFFFAOYSA-N 425.401 0.811 50 20 ICGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 763550316 CQGWXEPSSQVSMQ-UHFFFAOYSA-N 428.401 0.282 50 20 ICGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763839017 XJPMDWYJEXCSAG-ZDUSSCGKSA-N 442.403 0.196 50 20 ICGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 764203984 GVUKQPLSJZQHHV-UHFFFAOYSA-N 431.453 0.658 50 20 ICGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764240044 YIOSCPGDEXMFRJ-UHFFFAOYSA-N 437.456 0.942 50 20 ICGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccn2)c1 764270756 STYQKRVQKLRXGE-UHFFFAOYSA-N 427.461 0.657 50 20 ICGD O=C(CCc1ccccc1O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764278237 ODQMCLYOHUOBOZ-UHFFFAOYSA-N 426.473 0.943 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2cc(Br)ccc2O)cn1C 764279760 DYROQEGRUJCLKH-UHFFFAOYSA-N 439.222 0.680 50 20 ICGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Br)cs2)n(C)c1=O 764812596 NECCLLGZBACBQH-UHFFFAOYSA-N 425.268 0.408 50 20 ICGD COCCOc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765738887 PTODHSMOLIILMQ-UHFFFAOYSA-N 440.500 0.931 50 20 ICGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765739354 VAGFLJJWLBLXTE-SFHVURJKSA-N 445.520 0.460 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 767270428 XRAJNAOLIRGZMO-SLUIBLPYSA-N 425.441 0.035 50 20 ICGD C[C@@]1(c2cccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)NC(=O)NC1=O 768931097 WCGIQXXHGPRJBJ-IBGZPJMESA-N 444.473 0.109 50 20 ICGD C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)N1C(=O)c2ccc(Br)cc2C1=O 769654671 SZAZFXQVIBYBGF-ZETCQYMHSA-N 433.222 0.466 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)CCC1CC1 770632729 FCFISKYOEUDDCM-UHFFFAOYSA-N 445.563 0.391 50 20 ICGD CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)NNC(=O)Cc2nc(C)cs2)c1 775335502 HKSGOVQRENENMG-LBPRGKRZSA-N 425.536 0.400 50 20 ICGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)NNC(=O)c1cccs1 775908889 CYROQXOOIMDPKH-UHFFFAOYSA-N 443.459 0.031 50 20 ICGD C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CS2 777832136 KCTSDTUPPYUDGU-GXFFZTMASA-N 426.358 0.267 50 20 ICGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777939371 LPCFPBVSTWWTAB-UHFFFAOYSA-N 435.524 0.541 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN=c3cc[nH]cc3)CC2)cc1 780753909 VJBZKRCPFKRVQA-UHFFFAOYSA-N 431.518 0.568 50 20 ICGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CCCS2 782966227 LWQLURVSQDWZFW-UHFFFAOYSA-N 440.503 0.328 50 20 ICGD COc1cc(C)c(Br)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999168 AQWIAHWVXUAXSQ-UHFFFAOYSA-N 427.255 0.474 50 20 ICGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1cccc(-n2ccnn2)c1 784210268 KZGKONOSXAJGRH-UHFFFAOYSA-N 441.473 0.790 50 20 ICGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNc1ncc(F)cn1 784949200 GSFFYMFDKUNQPB-UHFFFAOYSA-N 440.457 0.735 50 20 ICGD COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 792267622 IDOONQXTXPSQMD-ZCFIWIBFSA-N 427.266 0.026 50 20 ICGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)cc(N2CCN(C(C)C)CC2)c1 792267646 IRKZHXACXMZWFH-UHFFFAOYSA-N 427.509 0.957 50 20 ICGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 795281009 WNBVQBRTZGISNF-UHFFFAOYSA-N 440.503 0.498 50 20 ICGD CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 797072420 WLJAEYLIDCBUCI-UHFFFAOYSA-N 446.489 0.430 50 20 ICGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc(N(C)C)c1)c1ccc(S(C)(=O)=O)cc1 797410779 XDGSPKVWQSZSJM-NRFANRHFSA-N 446.529 0.969 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)n1 799673850 QPUVJXMOFBFAJR-UHFFFAOYSA-N 430.437 0.087 50 20 ICGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 806978986 KJPZRKZALUSMPO-UHFFFAOYSA-N 449.485 0.543 50 20 ICGD Cc1ccc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 810317878 IKFKUYSSLYMOSI-UHFFFAOYSA-N 438.531 0.857 50 20 ICGD O=C(NNC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccc(-n2cnnn2)cc1 811851613 KYFHGXSPPCZVAJ-NSHDSACASA-N 440.386 0.407 50 20 ICGD CCOC(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 814723407 DLXLVEIMBVTUCV-UHFFFAOYSA-N 434.474 0.648 50 20 ICGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 816511264 SICZLGARZRPJPN-CQSZACIVSA-N 448.476 0.940 50 20 ICGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1nn(-c2ccccc2)cc1O 897192442 CGYYERNFWIHIBD-UHFFFAOYSA-N 448.447 0.088 50 20 ICGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2)s1 915188314 AVKIKPHNDFOEKA-UHFFFAOYSA-N 448.320 0.927 50 20 ICGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1cc2c(cc1Br)OCCO2 918096742 ARUKDXBJFSCJIY-QMMMGPOBSA-N 427.255 0.890 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778590129 NMUNXGSDAIHENS-PJIJBLCYSA-N 436.900 0.506 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1779035705 LRJPZYSMPCMDAJ-SFTDATJTSA-N 449.458 0.874 50 20 ICGD O=C(Cc1ccc2ncnn2c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1780547391 OLADRZMOIRCHFJ-RZQQEMMASA-N 435.912 0.385 50 20 ICGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326332 NLWAGVZFEWHCOZ-OCCSQVGLSA-N 434.222 0.312 50 20 ICGD Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n(C)n1 1782210702 CUKWTNYJMMLJTO-DYESRHJHSA-N 434.541 0.229 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCn1ccnc1)C2 1782213931 AXDINVBMQAFRJE-XMSQKQJNSA-N 448.568 0.550 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1782866607 FHBPSMQPKBHZIK-NCVDBNGNSA-N 444.438 0.838 50 20 ICGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783534977 UFPXZVBIRHYNMZ-DYVFJYSZSA-N 429.315 0.756 50 20 ICGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626301 WNXOMGRXECSYLO-MRLBHPIUSA-N 430.343 0.523 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH]c3ccccc13)CCO2 1783934782 MSXQCBNAOZRTMY-QHCPKHFHSA-N 441.532 0.913 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1783936336 UXDUOXLXOPPLAO-NRFANRHFSA-N 428.493 0.151 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(F)cn4n3)C[C@@H]21)[C@@H](O)CCl 1784092211 KKXJNZCTEMKBPL-PYJNHQTQSA-N 425.848 0.061 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785268674 RDNZHLHDCMATJZ-OAQYLSRUSA-N 436.484 0.135 50 20 ICGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785340291 SOUFUQXTVDWABC-NJSLBKSFSA-N 433.933 0.719 50 20 ICGD Cc1nscc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785798703 GUDSCZDMSPTFKX-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nc2ccccc2[nH]1 1787835866 OQFOXNRWDRKVDB-KNBMTAEXSA-N 448.288 0.150 50 20 ICGD Cc1[nH]ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610188 INBAEIJVHMNOME-KKXDTOCCSA-N 426.477 0.229 50 20 ICGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1788762460 AHOASXPXYGNSGW-KKUMJFAQSA-N 432.557 0.569 50 20 ICGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](F)Cl)C[C@@H]43)cc2C1 1790523639 LUVQNPACQUWPCU-ZFZWDLNGSA-N 427.908 0.846 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)[C@H](Br)Cc1ccccc1 1790778472 ZQOQHUSWCOCGQV-JONQDZQNSA-N 441.322 0.283 50 20 ICGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1799279230 CTQFBAZKBQJIIH-GWLLULGVSA-N 431.320 0.941 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800174647 AQVFRWNHXTVYRA-KOFHJDLBSA-N 441.326 0.735 50 20 ICGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1800979728 XCFQRTPMXYLMKY-IARIHHJXSA-N 431.880 0.892 50 20 ICGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801269982 CZZGCOWAQUWPGK-SMTWKSNJSA-N 425.327 0.888 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2c1CCCC2 1801772791 GZTJBPYVAVUITG-BBIADKPPSA-N 448.328 0.762 50 20 ICGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cn3c(nc1=O)SCC3)C2 1802283226 LDXULGDJSQIPOO-XGUBFFRZSA-N 440.953 0.784 50 20 ICGD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803142995 QDWMAMPZPPYZAI-YCPHGPKFSA-N 427.958 0.171 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1803510309 WSHWRNSPMSARTP-FAAHXZRKSA-N 434.921 0.950 50 20 ICGD CCn1ccc(C(=O)NC[C@H]2CCN(C(=O)CCC(=O)NN(C)C)[C@H]2c2cccnc2)n1 1805909475 VTGPPHUMHBCSGT-UTKZUKDTSA-N 441.536 0.991 50 20 ICGD COC(=O)CSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806036458 HTINRAGNIUYHFR-UHFFFAOYSA-N 448.350 0.117 50 20 ICGD CCc1oncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371399 UDCQWSAHJGGWKC-UWJYYQICSA-N 448.288 0.945 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)C(Cl)Cl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374194 JQOHFOPLQFOXRX-HOCLYGCPSA-N 436.104 0.885 50 20 ICGD CO/C=C(\C)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810137626 IAPNPCRKESQADX-YVOSRCDTSA-N 438.488 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccnn2C)[C@H]1c1cccnc1 1813071955 ZXHCNTHJVBJWNP-JXFKEZNVSA-N 427.509 0.508 50 20 ICGD C/C(=C/C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1814098921 WKIIFDKCXUDCRG-HXWOHKMSSA-N 431.493 0.491 50 20 ICGD O=C(NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)c1cccnc1 1814868289 YESWPEBUHXPHQF-LSDHHAIUSA-N 434.884 0.827 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)cn1)CC2)c1ccc(B(O)O)cc1 1815339988 ZBQXQGUMUMOFEJ-ZDUSSCGKSA-N 438.274 0.463 50 20 ICGD CC[C@H](C)[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474146 NOVQFVZOAOYLSY-BOFPYLFWSA-N 428.298 0.802 50 20 ICGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1824459387 PVHJJDXBXYYJPS-BMFZPTHFSA-N 437.990 0.534 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1831653910 GOOGQTSUYABHQF-DBXWQHBBSA-N 445.004 0.486 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)CC1)[C@H](O)CCl 1833310846 VTQWTVMFPOCGFS-NHCUHLMSSA-N 448.995 0.872 50 20 ICGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1834163783 NSFDQDPXANBWHP-DYVFJYSZSA-N 429.315 0.582 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C3=CCCC3)CC2)CC1 1834372261 HWCQFUYNESVOBU-UHFFFAOYSA-N 440.548 0.981 50 20 ICGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1834418126 GEKWRTBCCMXKLT-CZUORRHYSA-N 433.278 0.664 50 20 ICGD CCc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1836360205 FQNVGDKXRUULTB-JOCHJYFZSA-N 447.536 0.087 50 20 ICGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1837242060 BQCAQTDBUIGBIJ-FXUCQVAHSA-N 443.393 0.838 50 20 ICGD C[C@H](Br)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968226 CKXUCAKPWPLHFJ-LBPRGKRZSA-N 429.319 0.455 50 20 ICGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1838528272 NPXNYVMGUGWMMV-FQEVSTJZSA-N 449.416 0.179 50 20 ICGD CC(C)=CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839111905 PBEACRZUNFQAPZ-QFIPXVFZSA-N 445.520 0.502 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839306275 WRJGSDUIUZAATN-LIRRHRJNSA-N 430.860 0.855 50 20 ICGD CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)cn1 1840150191 HBLAPVSZUUBPPP-FXAWDEMLSA-N 425.913 0.968 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1841752810 CDMYTKNOOYAPMZ-WKILWMFISA-N 428.294 0.163 50 20 ICGD O=C(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)c1ccccc1 10671558 DUINAQKZVDUMIJ-JOCHJYFZSA-N 436.424 0.384 50 20 ICGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N(C)C 10790587 SWNQERZDUJFTMQ-UHFFFAOYSA-N 441.487 0.625 50 20 ICGD O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)c1ccccc1 15102260 DKHAGJDYWAZTBV-UHFFFAOYSA-N 434.493 0.983 50 20 ICGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1ccc2c(c1)OCCO2 726380729 NNLIHEWPRFOQMP-UHFFFAOYSA-N 433.442 0.228 50 20 ICGD CC(C)CN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730568761 AEEZOBHCCMRMLG-UHFFFAOYSA-N 430.490 0.094 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 740851914 AYPDTCBQRXKKQY-UHFFFAOYSA-N 448.480 0.329 50 20 ICGD Cc1cc(Br)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 742028221 DSQHVAUOUDRVSL-SSDOTTSWSA-N 432.343 0.499 50 20 ICGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2cc(OC)ccc2Br)cn1 743257919 RVWYMHPJSDQVMV-UHFFFAOYSA-N 447.267 0.451 50 20 ICGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 745484241 UUDHPNXAZSLEOZ-KWAZRSOSSA-N 449.485 0.086 50 20 ICGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 748624206 LIZITBVBYXHAGH-HNNXBMFYSA-N 442.538 0.469 50 20 ICGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNc2cc(Cl)nc(N)n2)cc1 753452201 OQYZPKAJBCAMCY-DMTLFAOVSA-N 429.868 0.959 50 20 ICGD Cn1nc(SCC(=O)NN=C2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 753695127 MAZRTYHAXWYEHE-LBPRGKRZSA-N 446.489 0.994 50 20 ICGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1ccc[nH]1 755441117 HTGRBNJEHCZFCF-UHFFFAOYSA-N 437.478 0.901 50 20 ICGD Cc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(N)(=O)=O 756636643 FNHLRRYRECJNOU-UHFFFAOYSA-N 430.446 0.356 50 20 ICGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cn(Cc3cccc(F)c3)nn2)n1 759445186 NGSCZNIVULSAMG-UHFFFAOYSA-N 432.437 0.777 50 20 ICGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1I 763185412 FUVYBVBEESRPFH-VIFPVBQESA-N 438.243 0.496 50 20 ICGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 763469903 DQFPFFGHKCPLLJ-UHFFFAOYSA-N 431.380 0.970 50 20 ICGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2OC)c2ccccc2O1 763646331 FVNNKQLFHMIVML-QGZVFWFLSA-N 443.412 0.189 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 763649905 LVWQGKLWPVCXFE-UHFFFAOYSA-N 441.423 0.892 50 20 ICGD CCS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763656393 BJNMZLKLVJVPNT-UHFFFAOYSA-N 435.458 0.654 50 20 ICGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 763663310 RAOGSAATDIVCEX-ZDUSSCGKSA-N 444.444 0.834 50 20 ICGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cn1 763669458 XOKLSNOHWRDNBY-UHFFFAOYSA-N 445.476 0.963 50 20 ICGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1C 763781327 JDZQQGSMVQJLDE-UHFFFAOYSA-N 436.515 0.901 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1 763878700 SUNBEVNIKQYAJS-ZDUSSCGKSA-N 437.416 0.418 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764006000 HXVVQPRODBVCDS-UHFFFAOYSA-N 435.339 0.922 50 20 ICGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F 764278008 OLBHHPGZONPFFD-UHFFFAOYSA-N 430.392 0.823 50 20 ICGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccc3F)cc21 764312895 BXRFPCLKWUFFGG-UHFFFAOYSA-N 425.420 0.855 50 20 ICGD CC[C@@H](C(=O)NNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1ccccc1 764332329 QKKILVLWXKTLLK-QGZVFWFLSA-N 444.513 0.825 50 20 ICGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)[nH]c21 764336169 XYVNXVONGDRQOX-UHFFFAOYSA-N 447.402 0.609 50 20 ICGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1C 764349777 POFHVTNHYRVWIO-UHFFFAOYSA-N 440.865 0.662 50 20 ICGD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640088 SBYSRURAWHGIBR-KFWWJZLASA-N 448.524 0.059 50 20 ICGD C[C@H](NC(=O)CCC(=O)NNC(=O)C(C)(C)O)C(=O)c1ccc(Br)cc1 768243746 HCCKEMWAWUBFCL-JTQLQIEISA-N 428.283 0.835 50 20 ICGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cn1 769622340 WPQHZHQTZFBDOD-UHFFFAOYSA-N 425.419 0.517 50 20 ICGD CCOC(=O)CON=C(C(=O)NNC(=O)c1ccc(Br)s1)c1cc[nH]n1 770822729 HIZJAYASPHBSHK-UHFFFAOYSA-N 444.267 0.979 50 20 ICGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 771968291 LUPJHVCPJXYNDJ-LBPRGKRZSA-N 447.535 0.508 50 20 ICGD C[C@]1(NNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCS(=O)(=O)C1 775212151 KYRGSBFBLJBDOV-AWEZNQCLSA-N 443.469 0.990 50 20 ICGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)nc2ccccc21 782892239 AHALMCFWILQWLF-UHFFFAOYSA-N 432.444 0.542 50 20 ICGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(OC(F)F)cc3)cnc2n(C)c1=O 784309226 ZWCVFRWEYSGHNN-UHFFFAOYSA-N 434.359 0.315 50 20 ICGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 785022914 BASNUQXWANVMBA-CQSZACIVSA-N 430.373 0.868 50 20 ICGD Cn1nccc1COCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 786391195 KVTUROCKXKPHIO-UHFFFAOYSA-N 434.928 0.555 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(C)nn(C)c1-n1ccnc1C 788267648 NBGMIRINRNSPBU-UHFFFAOYSA-N 444.521 0.899 50 20 ICGD COCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 793339242 XWOVAAKDUSXRIT-UHFFFAOYSA-N 438.481 0.821 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C 800747637 NGOPOEPSMUFGDK-DZGCQCFKSA-N 425.511 0.290 50 20 ICGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 802033713 KXQKABSEBFHEBW-ZDUSSCGKSA-N 448.461 0.665 50 20 ICGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)[C@H](C)O)cc1 802122258 IAQPFRHJJGPNAT-KBXCAEBGSA-N 449.533 0.942 50 20 ICGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)ccc1F 806546639 UWUQXWZZUVUISH-UHFFFAOYSA-N 434.409 0.849 50 20 ICGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1C 807528546 QOJYDXQIBLOKSS-HNNXBMFYSA-N 425.511 0.386 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3COc4ccccc43)nc2)CC1 812442723 CRUYVDUPOPFMLN-OAHLLOKOSA-N 446.533 0.820 50 20 ICGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cccc(OC(F)F)c1 812882162 CVXMXZYPQNGUDB-GFCCVEGCSA-N 448.448 0.268 50 20 ICGD COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1ccn(C)n1)N(S(C)(=O)=O)CC2 814758987 NRGINOGIMKQGBV-MRXNPFEDSA-N 435.506 0.837 50 20 ICGD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 815692538 UAMBFGNQKXUMSX-GFCCVEGCSA-N 443.464 0.974 50 20 ICGD O=C(NNc1cccc(Cl)n1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 815726873 YGNBIMHOKMTCJF-HNNXBMFYSA-N 445.863 0.831 50 20 ICGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNc2ccccc2OC)c1=O 825644114 UCVXJYVHFHVXPH-UHFFFAOYSA-N 425.445 0.451 50 20 ICGD Cn1c(C(=O)OCC(=O)NNC(=O)c2cccs2)cc2c(=O)n3ccccc3nc21 917350991 QCSJGNQEJYCULD-UHFFFAOYSA-N 425.426 0.866 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cc(C(N)=O)c2ccccc21 917392284 YLWAJGRXHRUYPG-UHFFFAOYSA-N 442.501 0.803 50 20 ICGD CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 919778650 GABXAKIYSCKABO-ZDUSSCGKSA-N 431.474 0.937 50 20 ICGD CCN(CC)C[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 921122011 RVEWNPAJDXWOME-OAHLLOKOSA-N 427.575 0.374 50 20 ICGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 1318295040 JFKQNFGBJNHMSA-MRVPVSSYSA-N 427.863 0.182 50 20 ICGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)Br)C2 1777980406 JBJBBPBLDGXMAX-SFDCBXKLSA-N 433.347 0.731 50 20 ICGD Cc1cccc2[nH]c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cc12 1778497524 ZYZTXWPQILQELI-DEOSSOPVSA-N 447.300 0.913 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccsc3)CCO2)C1 1779031269 PUUXLVMZRCPGQC-OAQYLSRUSA-N 443.529 0.823 50 20 ICGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(F)c1 1779037137 PKALKDSDNFYXGI-QFIPXVFZSA-N 441.463 0.890 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1F)C2 1782211845 BHRGPNGCDXNQTD-DYESRHJHSA-N 435.500 0.721 50 20 ICGD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CBr)C2 1782392427 VMCJCBIDFDUGIU-OGHNNQOOSA-N 434.331 0.887 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1783933071 CALJDAUXWZUEJS-GCJKJVERSA-N 446.504 0.029 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1783969480 GQIVTBRJJPOGDV-OEAJRASXSA-N 426.311 0.944 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1783973796 CWTXDHJSVVDMRP-MRLBHPIUSA-N 428.331 0.850 50 20 ICGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1784624099 LTPLMGZOVCQDOF-VGWMRTNUSA-N 440.928 0.645 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785469786 LDVJZGXYKFCLIR-JLTOFOAXSA-N 433.534 0.272 50 20 ICGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)C1 1785511217 DWPNCQWTLRXGGU-VPCSNGCSSA-N 445.944 0.719 50 20 ICGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cs1 1786202894 ZGFNVKVMWUGYQX-ZVZYQTTQSA-N 429.307 0.038 50 20 ICGD COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)CBr)C[C@@H]32)CC1 1790883745 OASMHPBYKKNAND-XUXIUFHCSA-N 431.327 0.950 50 20 ICGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN3CCOC3=O)CCC2)cc1 1791599372 DWPJRHKMEGGBRL-UHFFFAOYSA-N 431.493 0.946 50 20 ICGD CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)CC1 1792545227 ZDMGIOIIQYWMNA-XGUBFFRZSA-N 445.944 0.481 50 20 ICGD O=C(Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1)C1CC1 1792980994 XXVPKGQNLVPTAW-MVJTYMMSSA-N 435.908 0.838 50 20 ICGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879881 QRCJZJLVSBARFR-AICCOOGYSA-N 433.933 0.479 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)cn1 1794861419 HCHJAVURSZWDLW-LLJCUJCISA-N 438.488 0.727 50 20 ICGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C1 1796187914 LLLDQYIKDBFLDD-SIZVQLJJSA-N 428.294 0.208 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)cc1F 1798995978 BQBXCACFNNEHAP-HBCWATKFSA-N 430.216 0.162 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H](F)Br 1799344339 INMOBTSVTCPWQG-OTMMVIPVSA-N 434.222 0.071 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779142 UUIXQYUWNHVZNX-YACYFGNPSA-N 429.379 0.549 50 20 ICGD Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)on1 1805704023 ZVFGENIVYLCOAV-PXNSSMCTSA-N 434.261 0.691 50 20 ICGD COCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359446 IUTAUZVYHWRKSO-GHTZIAJQSA-N 425.294 0.508 50 20 ICGD CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813598166 IMVOHMBBMWPJPO-DENIHFKCSA-N 438.337 0.421 50 20 ICGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(F)cn1)CC2)c1cccc(B(O)O)c1 1815354999 KYGQXUCSPLFPAT-AWEZNQCLSA-N 440.265 0.897 50 20 ICGD O=C(CCN1C(=O)C=CC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824179849 ZKCIIIQVMXHHOJ-HZPDHXFCSA-N 425.913 0.521 50 20 ICGD Cc1nnc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)o1 1827113837 XMURLCWNFOSWBS-LJQANCHMSA-N 440.309 0.534 50 20 ICGD C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CCCN1 1830267735 AJCQQGWVPWUEQD-NZQKXSOJSA-N 427.354 0.742 50 20 ICGD CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830798162 CZSRWBWZCUKPAV-MGPUTAFESA-N 448.944 0.555 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)on1 1832571122 CCRJTROGKQQZHD-HOCLYGCPSA-N 434.262 0.672 50 20 ICGD O=C(CCc1cc(F)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832844204 LZFCLALUFAMEFX-QFBILLFUSA-N 429.876 0.209 50 20 ICGD Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)no1 1832928027 QJHPNFRRPQIYDU-SFHVURJKSA-N 426.546 0.228 50 20 ICGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834525621 CTHZJULFNTXCRJ-BBRMVZONSA-N 443.386 0.868 50 20 ICGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1834773398 NPPPUJNQTMJHIG-OVKVCFKUSA-N 428.558 0.414 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cncs3)CC2)CC1)c1cccc(B(O)O)c1 1834801039 JKEBQLFMPIGNBD-UHFFFAOYSA-N 442.350 0.322 50 20 ICGD Cc1nc2ncccn2c1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835374804 RZRQCBQFUIPCRX-QGZVFWFLSA-N 448.955 0.823 50 20 ICGD C[C@](Cl)(CCl)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1836398385 IQWLCNZOVIGKDI-IBGZPJMESA-N 447.411 0.634 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)CC1 1838394814 ZTLUITURYFXRRU-WMZOPIPTSA-N 433.484 0.655 50 20 ICGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(Cl)CCl)CCO3)nn1C 1839153177 CQONDFIZKDXGRJ-ZWKOTPCHSA-N 449.335 0.735 50 20 ICGD O=C(c1cc(F)c(F)cc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839286322 HOWSZUPMJVRBEE-QAPCUYQASA-N 436.814 0.774 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840153820 ZTLKHZGRPRCZPW-JLTOFOAXSA-N 436.896 0.887 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840154646 BGNJBODUTSXIQP-UZLBHIALSA-N 436.896 0.658 50 20 ICGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1C 1840183775 ZDLQOCFPVBJUME-QFIPXVFZSA-N 447.536 0.141 50 20 ICGD O=C(O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)ncn1 1840186651 RVJPLADIQNCDBU-INIZCTEOSA-N 433.248 0.049 50 20 ICGD O=C(c1cc2cccnn2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189119 YJISXZDHDLIJOQ-KRWDZBQOSA-N 428.276 0.603 50 20 ICGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840493451 WMENCAJHYBYDNB-LBTNJELSSA-N 443.342 0.992 50 20 ICGD CC(=O)Nc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840723048 LPIAFYRZZRIANW-PXNSSMCTSA-N 439.896 0.315 50 20 ICGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](Cl)COC)C3)C2)CC1 1840930148 XNEYKGXMYTXAKJ-PXNSSMCTSA-N 431.961 0.429 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2cccnc2Cl)C1 1841967192 DDGFLLWPXKMFOE-UHFFFAOYSA-N 428.880 0.793 50 20 ICGD CN(C)C(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843015363 HQPLVWHULFWZOV-UHFFFAOYSA-N 435.289 0.199 50 20 ICGD CC(=O)Nc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1C 1845462416 YWLZGKMUEQPHIE-UHFFFAOYSA-N 435.289 0.764 50 20 ICGD COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc(OC)c1OCC(N)=O 15764915 BSDQXIMWLQFNNM-NSHDSACASA-N 435.408 0.936 50 20 ICGD CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 23787533 XIVOFJFIHXLZOD-UHFFFAOYSA-N 441.473 0.449 50 20 ICGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 725739501 HWLBUNWFZVCRAB-JTQLQIEISA-N 428.854 0.177 50 20 ICGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cnc[nH]1)N(S(C)(=O)=O)CC2 725881189 SKTXHOVZFILUGZ-AWEZNQCLSA-N 437.478 0.137 50 20 ICGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CNC(=O)c1ccco1 725902491 OBXWMYLNRIYAKX-UHFFFAOYSA-N 426.426 0.055 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1C 727112288 ARZJLHIIYIAKMI-UHFFFAOYSA-N 427.508 0.136 50 20 ICGD CN1CCN([C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 728846803 RVWNWQNXLMNONR-FQEVSTJZSA-N 437.548 0.829 50 20 ICGD C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)C1 728944891 NVKOVPDFGKILLK-OAHLLOKOSA-N 440.508 0.987 50 20 ICGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728953097 BDXFOKRSDXYWQA-GFCCVEGCSA-N 425.436 0.927 50 20 ICGD Cc1cc(C(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 731760799 AOHFPLHFRKFBBE-UHFFFAOYSA-N 433.534 0.996 50 20 ICGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 732054288 SAGQZNRZMJQIOP-AZUAARDMSA-N 446.548 0.931 50 20 ICGD CS(=O)(=O)c1ccccc1NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 732304417 MPFYIZNFXIZAON-UHFFFAOYSA-N 439.515 0.868 50 20 ICGD COc1ccc(C(=O)NNC(=O)CCC(=O)NCCNC(C)=O)cc1Br 732306302 XSCYSRDDOXMYED-UHFFFAOYSA-N 429.271 0.251 50 20 ICGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1=O 733126025 NSYYYKRCYIIBOZ-KGLIPLIRSA-N 426.477 0.429 50 20 ICGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1C(=O)CNC1=O 733338787 KMCZRNWCZPPAEK-SECBINFHSA-N 428.243 0.099 50 20 ICGD O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccccc1 733557425 DHKFXMMQRVCBEH-CYBMUJFWSA-N 430.373 0.797 50 20 ICGD NC(=O)C1(c2ccccc2)CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 734526053 ROJQXMHFFSTURS-UHFFFAOYSA-N 429.502 0.738 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1F 734922533 LGKZXNPPSVUKLW-UHFFFAOYSA-N 436.417 0.806 50 20 ICGD CN(C)C(=O)CN1C(=O)C(=NNC(=O)c2cnn(C)c2)c2cc(Br)ccc21 735412971 FCLBIMAEXGLAGX-UHFFFAOYSA-N 433.266 0.752 50 20 ICGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 740108313 VXMPQTKQXWTWPW-CYBMUJFWSA-N 449.493 0.995 50 20 ICGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742032820 BYBYERGJBIBWAY-AWEZNQCLSA-N 437.522 0.547 50 20 ICGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 746184885 ICHMWCDQZZSPDM-SFHVURJKSA-N 432.440 0.869 50 20 ICGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C[C@@H](C)O1 746678328 PTMPFDVQKBFWBT-HZPDHXFCSA-N 434.541 0.592 50 20 ICGD O=C(COCC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)NCc1cccnc1 748610067 ALNDMTBBOKYFKJ-UHFFFAOYSA-N 428.417 0.854 50 20 ICGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=S)NC[C@@H]1CCOC1 749734734 RQVDRGKINDVBAO-HNNXBMFYSA-N 425.986 0.989 50 20 ICGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 755373256 AZCPAVDNUOBZCS-UHFFFAOYSA-N 441.444 0.822 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2nc3c(s2)COCC3)c1 756630425 VUHIDMOLMCUNGO-UHFFFAOYSA-N 425.492 0.933 50 20 ICGD N#CCOc1cccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 760633870 RJYAHSUODYILBZ-SFHVURJKSA-N 425.397 0.662 50 20 ICGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C 763789775 CQHXVLYLQOVFGX-UHFFFAOYSA-N 437.412 0.428 50 20 ICGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)CCN1 763865729 SUFDVNQIKMMMNY-UHFFFAOYSA-N 434.456 0.433 50 20 ICGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 763873853 ZKPIOCJSUZQLQJ-KSSFIOAISA-N 443.460 0.818 50 20 ICGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)nc3)c2)CC1 764101799 VYKFZNLDLYPNTJ-UHFFFAOYSA-N 430.896 0.882 50 20 ICGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)cc1OC 764294815 DIQBVDALGFCHTH-UHFFFAOYSA-N 426.227 0.898 50 20 ICGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 764400532 QDVHIHWHKQCEPQ-SNVBAGLBSA-N 444.370 0.424 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1OCC(N)=O 764405609 UQVIYAMVHINPHH-UHFFFAOYSA-N 448.457 0.143 50 20 ICGD CC(C)(C)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n(-c2ccc(F)cc2)n1 764426189 UGTPPCDIZFSIEG-AWEZNQCLSA-N 433.440 0.810 50 20 ICGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1 764434820 ZBDYWVLKTRPNLG-UHFFFAOYSA-N 441.444 0.890 50 20 ICGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F 765639661 DQDHJLDAMVEGJP-UHFFFAOYSA-N 445.450 0.939 50 20 ICGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739536 XLNYDLPFJZWXGO-UHFFFAOYSA-N 426.521 0.575 50 20 ICGD O=C(NNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)N1CCCC1 765740010 KMCGQSZKUVNWPD-UHFFFAOYSA-N 432.174 0.583 50 20 ICGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)Cc3ccccc3)CC2)cc1 765747585 FEPTUMWAOPFKGO-UHFFFAOYSA-N 437.544 0.619 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)nc2)CC1 765906741 XOCSOYFXEHBXPL-DOTOQJQBSA-N 438.554 0.601 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766640320 CWRAXMXYKMLKLZ-OAHLLOKOSA-N 433.509 0.505 50 20 ICGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643729 RRMLOSAQIBQMKI-PKOBYXMFSA-N 432.521 0.566 50 20 ICGD C[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(C)CCO1 770438905 UHYSGZGQNRBOHH-YOEHRIQHSA-N 439.538 0.134 50 20 ICGD O=C(Cn1nc(-c2ccccc2)oc1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772196039 XKHGYILNECZXBX-UHFFFAOYSA-N 429.820 0.621 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCCS3(=O)=O)cc2)CC1 773458326 FEWAYRBHXHJXDR-INIZCTEOSA-N 430.552 0.033 50 20 ICGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775707408 JPCKEWZZROFXAQ-CZUORRHYSA-N 425.401 0.430 50 20 ICGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)c3ccccc3OC)ccc21 778709849 MGZWUIKUWKOZAJ-UHFFFAOYSA-N 426.429 0.630 50 20 ICGD COc1ccc(C(=O)NNC(=O)CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC 781426739 MKJMWGUNUFRJMW-LBPRGKRZSA-N 436.490 0.463 50 20 ICGD COc1ccc(NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1 781527051 PYRQWOZKBQXORF-UHFFFAOYSA-N 436.490 0.806 50 20 ICGD CN(NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)c1ccccc1 783431639 JKLBNQYMUHFNFD-UHFFFAOYSA-N 425.489 0.855 50 20 ICGD Cc1ccc(I)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784000599 WIRMPOCYQYHJGA-UHFFFAOYSA-N 444.229 0.308 50 20 ICGD CCn1c(NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)nc2ccccc2c1=O 791310737 HPCGBTOXSYKMCZ-UHFFFAOYSA-N 441.473 0.714 50 20 ICGD O=C(NNC(=O)[C@@H]1Cc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 792772217 GOGZGQFVRQPLKP-GOSISDBHSA-N 433.461 0.948 50 20 ICGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 794063277 DQERBFJHZRTFAF-UHFFFAOYSA-N 439.428 0.532 50 20 ICGD CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 794576519 LCZLPEHPUBLGMB-GFCCVEGCSA-N 443.503 0.661 50 20 ICGD CC(C)(C)OC(=O)c1cnc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cn1 801893456 WOCNISDNZIZRTM-UHFFFAOYSA-N 425.401 0.922 50 20 ICGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cc1OC 810385714 WSJFECNHDUHJHF-UHFFFAOYSA-N 443.503 0.529 50 20 ICGD COc1ccccc1NCC(=O)NNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 915639205 AIEKKIDORAOTKP-UHFFFAOYSA-N 440.453 0.292 50 20 ICGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 916278543 STYWGPIRHPRAEM-UHFFFAOYSA-N 436.490 0.691 50 20 ICGD CNC(=O)CN1CCC(NC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 916516807 LLCGYHMNJOKXJN-UHFFFAOYSA-N 437.444 0.817 50 20 ICGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 916830561 HFNDYTWTPFUIPF-UHFFFAOYSA-N 432.458 0.262 50 20 ICGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)NCC(F)(F)F)CC1 918707357 ZPGNQSKLQHEREC-UHFFFAOYSA-N 427.405 0.585 50 20 ICGD O=C(NNS(=O)(=O)c1c[nH]c2ncccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 919955188 BPBDDDVJPASQRA-UHFFFAOYSA-N 449.514 0.971 50 20 ICGD CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1115987230 UYNFDNTVJNVMQX-MRVPVSSYSA-N 439.309 0.048 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1116356256 SWLBLYGMJSGZFU-LBPRGKRZSA-N 442.523 0.069 50 20 ICGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1c(=O)oc2ccccc21 1253155024 FLJQFRWUXYFTJM-UHFFFAOYSA-N 437.456 0.200 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)C2 1782172349 AEMWJTYBBFFRTK-HWWQOWPSSA-N 426.844 0.864 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460516 VCRIOEJGRCYMSZ-GUYCJALGSA-N 427.299 0.859 50 20 ICGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1F 1785007218 GJWZOWFAARUIOG-QFIPXVFZSA-N 442.252 0.271 50 20 ICGD CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1785684263 IMJSRRMVTJDCNS-DLKVLKDVSA-N 447.916 0.754 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc2nc(CO)[nH]c2c1 1787871445 OFRJZVBVZHDDKX-CLROSIBMSA-N 436.896 0.248 50 20 ICGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CCc3nc(N)n[nH]3)cc2)CCC1 1789439581 KXSAPBVLEYBOAO-UHFFFAOYSA-N 442.524 0.827 50 20 ICGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791055123 KCJWQYORVFINFJ-DGTMBMJNSA-N 439.372 0.430 50 20 ICGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)c1ccc(O)cc1 1791290652 HFGRFBJETSTBHK-LQJIQPLVSA-N 446.548 0.848 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Br)ccc1O)C2)[C@H](O)CCl 1792979021 QVYDOMKMGHKEJX-ANGCBRKESA-N 447.713 0.958 50 20 ICGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288182 PNROMKCALRNTHX-WWKBNMOASA-N 444.438 0.740 50 20 ICGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccc2n1 1796779611 PCNOIBNUCWFTAI-USGNIVHTSA-N 440.504 0.206 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506984 YTIHCAIVMZCVKJ-GFQSEFKGSA-N 425.898 0.543 50 20 ICGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1800760546 RDNXFGNGGRVQKU-HNCHTBHHSA-N 426.267 0.797 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2 1800970980 NIDAKGIVXOZVED-QMHWVQJVSA-N 447.960 0.991 50 20 ICGD C[C@H](CBr)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803009290 SKFVNHVLUCCZKQ-INWMFGNUSA-N 436.314 0.805 50 20 ICGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1805406400 ZQQGOIBQAMJFGS-CABCVRRESA-N 447.960 0.703 50 20 ICGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805528715 YHTGQOKORJWKHI-IAGOWNOFSA-N 439.944 0.288 50 20 ICGD CNC(=O)CC(=O)N1CCCC2(CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CC2)C1 1805920726 OACRSXUDXRIOEZ-BUVRLJJBSA-N 430.509 0.488 50 20 ICGD CC(C)O[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362790 WLGMNEWZDBKAKX-LKUPVBHCSA-N 439.321 0.895 50 20 ICGD CCC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)COC1 1807363917 DGMNWYQYCRNYRZ-UYAOXDASSA-N 437.305 0.508 50 20 ICGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1809552174 XRSUXCAUGUHGJX-NSGGIEJNSA-N 437.305 0.649 50 20 ICGD CCC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977973 NVQYVEIPIHIFCN-MRXNPFEDSA-N 429.326 0.126 50 20 ICGD CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)[nH]n1 1815140912 AERYXRUXZHHIAT-ZIFAQYRBSA-N 442.480 0.672 50 20 ICGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@]1(F)Cl)CC2)c1ccc(B(O)O)cc1 1815348312 KLPBTJQCGRTSCN-FTLABTOESA-N 437.689 0.973 50 20 ICGD Cc1cnn(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)c1 1815354869 WBNXBWWBHNSRSX-HNNXBMFYSA-N 439.306 0.254 50 20 ICGD CC(C)O[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815357066 XQBDKAKXURULRL-IUODEOHRSA-N 431.323 0.862 50 20 ICGD Cn1nncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401441 AXFYOUUTOCUBPT-AWEZNQCLSA-N 438.452 0.156 50 20 ICGD Cc1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820872275 AMQNHGJLYWQEII-CQSZACIVSA-N 437.290 0.461 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2nc[nH]n2)n[nH]1 1822713775 ROIJSBSSNUCNIL-ZDUSSCGKSA-N 449.541 0.685 50 20 ICGD Cc1ccn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n1 1825270966 IAFHGGGECWYVHY-OAQYLSRUSA-N 438.337 0.805 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCOC3)sc2C1 1827169487 DIUVMDIBFOLBMZ-GHMZBOCLSA-N 430.490 0.404 50 20 ICGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1830370793 YOCJTRDRZAKECO-FQEVSTJZSA-N 429.945 0.720 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 1830723523 PBICZKUFQDAQCT-IUODEOHRSA-N 428.835 0.775 50 20 ICGD O=C(CCc1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725616 KXVCJUQYFKEYHN-KXBFYZLASA-N 429.876 0.209 50 20 ICGD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732186 VRYIQIOHCJRYJF-MAUKXSAKSA-N 446.957 0.007 50 20 ICGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832018708 XZMBFOYKHJZIKU-FOIQADDNSA-N 441.912 0.165 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ccccn4n3)CC2)CC1)[C@H](O)CCl 1833310772 RQJRYHDTTAKNLT-MRXNPFEDSA-N 434.928 0.514 50 20 ICGD O=C(c1scnc1C1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833725426 GZURXPZYNUWLFO-UGSOOPFHSA-N 429.926 0.690 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1=CCCC1 1834372220 OELJXTKLRDALDS-UHFFFAOYSA-N 425.338 0.662 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCC=CO3)CC2)CC1)c1cccc(B(O)O)c1 1834801322 YDYUXCFVZKITKD-NRFANRHFSA-N 441.337 0.244 50 20 ICGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1834819697 YPWKICPMEHSRHB-KRWDZBQOSA-N 428.283 0.175 50 20 ICGD Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834821708 UWRRHSSVGYIEPJ-KRWDZBQOSA-N 427.299 0.640 50 20 ICGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)CC)CC2)CC1 1835645027 NPGMRRYSSGWXLA-DOTOQJQBSA-N 432.949 0.640 50 20 ICGD CC[S@](=O)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835659026 RBZHNQOIXZDRPR-HPGBDJQBSA-N 436.018 0.971 50 20 ICGD CC[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703419 QNMZACPYMFUATL-AWEZNQCLSA-N 442.358 0.607 50 20 ICGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835703649 ZHSACZYUNUWKEO-AZUAARDMSA-N 436.585 0.389 50 20 ICGD COCCn1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1836718431 XKECVXWTRDTKOM-SFHVURJKSA-N 442.944 0.741 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1837368586 GZFAGVQKIASVFB-UHFFFAOYSA-N 448.524 0.167 50 20 ICGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837716018 XQNVKLJCOYLCPX-DNVCBOLYSA-N 446.573 0.856 50 20 ICGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153334 GVXRRIARRXVIDJ-MOPGFXCFSA-N 446.331 0.692 50 20 ICGD O=C(c1cc(=O)cco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197847 JVFAFQMAOGHEGM-XJKSGUPXSA-N 433.230 0.400 50 20 ICGD O=C(c1ccc(OC(F)F)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839330067 YUQQSDFYLNSYBK-DNVCBOLYSA-N 448.850 0.958 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1840151515 FHXRNWUWWNCRGJ-XLIONFOSSA-N 443.903 0.948 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840153219 HUXVXJCAHVWAFP-SCLBCKFNSA-N 442.925 0.720 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365797 NYSPUUAEPYFWIX-AVYPCKFXSA-N 440.928 0.225 50 20 ICGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840434212 UGYPMYPHVAWQKF-MPGHIAIKSA-N 443.342 0.759 50 20 ICGD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CCOC1 1845206822 LTWPOGCDEKPPQD-DJJJIMSYSA-N 431.917 0.473 50 20 ICGD COc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 14907267 OBMMNDGGKZLKSZ-UHFFFAOYSA-N 433.486 0.720 50 20 ICGD CN1C(=O)c2ccc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2C1=O 15314803 PJQSDMJZJDLPQG-UHFFFAOYSA-N 435.484 0.886 50 20 ICGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1cc(Br)c[nH]1 23914189 YNRDGIQGSZRBEH-UHFFFAOYSA-N 436.178 0.743 50 20 ICGD COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCn2cncn2)cc1 726535919 IRULPHBUILGGGU-MHWRWJLKSA-N 434.460 0.749 50 20 ICGD Cc1nc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1C 727112581 JSQUESQDUIRJOL-UHFFFAOYSA-N 441.535 0.526 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c(OC)ncnc2OC)c1 732048940 BXUVCWHVGUGDOC-UHFFFAOYSA-N 437.478 0.599 50 20 ICGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)C2=O)cc1 732262188 RODOXYCPGVBCAL-DMPWYTOCSA-N 445.520 0.409 50 20 ICGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1cccc([N+](=O)[O-])c1 732474138 HWINWPKZCSSWIR-CQSZACIVSA-N 429.455 0.027 50 20 ICGD Cn1c(NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)nc2ccccc2c1=O 733260364 BQYQLNICENOKMK-JOCHJYFZSA-N 432.440 0.770 50 20 ICGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc(OC)c1OC 734283856 PILGZGXQCHTULQ-OAHLLOKOSA-N 435.525 0.825 50 20 ICGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 734825297 AKXDKKBHMVTNJM-UHFFFAOYSA-N 426.474 0.047 50 20 ICGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 735446142 YQBQTKRZKKYPNM-HNNXBMFYSA-N 436.450 0.333 50 20 ICGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 736066826 VFZAJNXGHHEIMM-BBRMVZONSA-N 428.493 0.915 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@H]2CCCCO2)c1 740809814 DAHBGUGWCCHUFB-OAHLLOKOSA-N 433.552 0.850 50 20 ICGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCCCC2)c1 740810643 SDCUGKNKRPUWLC-INIZCTEOSA-N 445.563 0.995 50 20 ICGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cc(Br)ccc1O 743731929 DHEQSRQSGKAZOI-DMAMZFHHSA-N 434.246 0.723 50 20 ICGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744504537 GVFJGAAWGUSUOD-WQRHYEAKSA-N 431.412 0.856 50 20 ICGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N[C@H]1CCSC1 745899643 URUIFNMXGRDXBK-HNNXBMFYSA-N 442.563 0.476 50 20 ICGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C2=O 746949482 LIOWGRVAOZTEDS-TYILLQQXSA-N 428.555 0.616 50 20 ICGD COc1cc(C)c(Br)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 747599945 BMKAUQXABSTXPC-VIFPVBQESA-N 441.325 0.510 50 20 ICGD CN(C[C@@H](O)CN1CCOCC1)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 751429867 HCWAAILJADVCSU-QGZVFWFLSA-N 441.532 0.809 50 20 ICGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3ccc(C(F)(F)F)nn3)CC2=O)c1 755197359 JFNHEFZHTMUDLA-VIFPVBQESA-N 444.395 0.639 50 20 ICGD O=C(CCCCC(=O)NN=Cc1cnn2cccnc12)NN=Cc1cnn2cccnc12 755490593 GWRYUYYQVPSQQV-UHFFFAOYSA-N 432.448 0.933 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763550828 HJYOPEVXEMOYHV-UHFFFAOYSA-N 430.442 0.783 50 20 ICGD O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763695075 ODLTZRMPJIOZPA-UHFFFAOYSA-N 437.861 0.835 50 20 ICGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)c(OC)c(OC)c1 764048263 MRANCWRNCRDTEG-UHFFFAOYSA-N 431.401 0.899 50 20 ICGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CCC(C)C 764198851 INRWFZQAPFVYJH-UHFFFAOYSA-N 426.495 0.658 50 20 ICGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccc21 764203787 DUHUDPPBYBUCMV-UHFFFAOYSA-N 448.480 0.268 50 20 ICGD CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227859 SCBLUCDOJMFKHR-VIFPVBQESA-N 448.523 0.072 50 20 ICGD O=C(NNC(=O)N1CC(=O)N(Cc2ccccc2)C1)c1csc(N2CCOCC2)n1 765194770 OFNCCMCMACGBNU-UHFFFAOYSA-N 430.490 0.636 50 20 ICGD CC(C)C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645745 WAPJOBLOELWWJD-HNNXBMFYSA-N 426.477 0.411 50 20 ICGD C[C@@H](C(=O)NNc1nc(Br)cn2ccnc12)S(=O)(=O)C1CCOCC1 768227931 PLFYMOOCUQGXBI-VIFPVBQESA-N 432.300 0.917 50 20 ICGD Cc1c(NC(=O)CSCC(=O)NNC(=O)C(C)(C)O)c(=O)n(-c2ccccc2)n1C 768260894 YMJBULDJONUNGS-UHFFFAOYSA-N 435.506 0.074 50 20 ICGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnc(O)c([N+](=O)[O-])c3)cc2)CC1 770425083 SAIAJSULWKSKBQ-UHFFFAOYSA-N 436.450 0.388 50 20 ICGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)c1 772539419 VYEYNHAIWCTVKD-MRXNPFEDSA-N 432.360 0.757 50 20 ICGD CCOC(=O)c1cnc(NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1C 778425369 RXEDHFRIBPUGQE-UHFFFAOYSA-N 446.489 0.924 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780365524 NNMMQCLLOHETDW-UHFFFAOYSA-N 437.503 0.516 50 20 ICGD CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783999513 PHULFFCMIXTMQN-UHFFFAOYSA-N 433.465 0.420 50 20 ICGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 784003863 CUPVPSXLAYOOHV-UHFFFAOYSA-N 429.311 0.132 50 20 ICGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc3c(=O)n4ccccc4nc3n2C)C[C@H](C)O1 784766067 XKOGIOWYHAWKTC-KBPBESRZSA-N 426.477 0.447 50 20 ICGD Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 789732498 QSOTZURBMLJOSQ-UHFFFAOYSA-N 439.881 0.693 50 20 ICGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CC2)c1 793270430 OIHXELDSQZUWRG-UHFFFAOYSA-N 446.551 0.238 50 20 ICGD CC(C)(C)OC(=O)N1CCC(C(=O)NNc2cc(Cl)nc(N)n2)(S(C)(=O)=O)CC1 803097293 UKXPIJFLNIADDG-UHFFFAOYSA-N 448.933 0.970 50 20 ICGD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 819840992 KQEQZHFKCMYWBP-UHFFFAOYSA-N 425.850 0.914 50 20 ICGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 914752445 VKSYHBDNFPQLJA-SFHVURJKSA-N 433.472 0.905 50 20 ICGD COCCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 914845834 STJUZYVUUUFOMV-UHFFFAOYSA-N 426.520 0.792 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 917723712 JTIAVCANMPBGGD-UHFFFAOYSA-N 432.505 0.671 50 20 ICGD O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212892 YGSYPNJAVBBBNR-HNNXBMFYSA-N 446.485 0.726 50 20 ICGD CC(C)n1cnc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)n1 1778280421 YMDPPOGEBJVGLY-IIBYNOLFSA-N 449.556 0.360 50 20 ICGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779076351 YFPJOAJKMCCFJK-APWZRJJASA-N 444.557 0.163 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC1(F)F)C2 1779372662 UGYZTSGNKZCCNX-SPYBWZPUSA-N 437.447 0.468 50 20 ICGD O=C(c1ccc(Br)cn1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779422525 QQUZGHDOSZMTOV-XJKSGUPXSA-N 432.702 0.887 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 1780485822 AOIJIYOKEDDFLU-NRFANRHFSA-N 445.426 0.721 50 20 ICGD COc1cc(C)cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1781482272 GLLPBSFPDXFSOT-QHCPKHFHSA-N 438.289 0.441 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781839907 QCGNODFZLMNVSB-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)Br)C1 1781998369 ZCPBBVYVWWLOKD-UHQDVWGKSA-N 447.374 0.991 50 20 ICGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782154712 BKIIRQUMTSNQTB-WUKWMOGPSA-N 442.940 0.855 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1783933342 IKWBTWSBRKAKDG-CTWPCTMYSA-N 446.470 0.922 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-n4ccnc4)ccn3)C[C@@H]21)[C@@H](O)CCl 1784092319 HIQDCWOOQIKXHE-IKICRFKJSA-N 433.896 0.460 50 20 ICGD CC(C)(C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)c1ccccn1 1784275062 HKGLIWIRVCKMFW-QHCPKHFHSA-N 437.305 0.183 50 20 ICGD COc1ccc(F)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785020248 CRSCWRIWGMAYPB-JOCHJYFZSA-N 442.252 0.271 50 20 ICGD NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785513106 RIVRWWLCKCQHTI-UBHSHLNASA-N 439.310 0.559 50 20 ICGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1785939957 BIQJDEYPBLYQDA-SNRMKQJTSA-N 438.488 0.296 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436119 MAVCAWPPYJWYMW-DDWPSWQVSA-N 449.891 0.669 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)C[C@@H]21 1788607751 DZQRFCVPDFBECZ-SWOJGRPISA-N 427.505 0.325 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3C3CC3)C[C@@H]21 1791288551 DCIWJPNAWKCFKW-XIRDDKMYSA-N 433.509 0.518 50 20 ICGD Cc1ccc(OC(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)nc1 1792979143 XMVGMOKDUAOUPC-IVSAIRAKSA-N 425.913 0.737 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnc2)cc1)c1ccc(B(O)O)cc1 1795932397 LPPBAPRPADNORQ-NUZGMZIFSA-N 445.288 0.513 50 20 ICGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)c2ccn(C)c12 1798432592 ZGDAFKDPSOYGGZ-NOXHYTERSA-N 436.896 0.736 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800158152 AOJPIHFQUSUUSG-BSTOTGJRSA-N 428.262 0.627 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CCC(=O)N3CCCC3)C2)CC1 1806654069 POZYLYMQYGCANA-UHFFFAOYSA-N 449.596 0.993 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2csnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359895 MRWGRNJKZBRBDS-QAPCUYQASA-N 437.290 0.246 50 20 ICGD Cc1nn(C)cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361869 ILEUGSSFZOVQLU-GHTZIAJQSA-N 447.304 0.437 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367115 QCVBHDANKKRTJU-UWJYYQICSA-N 433.277 0.047 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)C(F)(F)Cl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374391 KEKCIRAKJUYGBU-GDBMZVCRSA-N 437.639 0.913 50 20 ICGD Cn1cncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339570 HNKUSSBLECOSIP-ZDUSSCGKSA-N 425.279 0.096 50 20 ICGD C=CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1819579751 NTPPCPGPECWSDO-GUYCJALGSA-N 439.281 0.086 50 20 ICGD C[Si](C)(C)OCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1820162878 UJDVIWDPJQJCMM-MNOVXSKESA-N 427.603 0.499 50 20 ICGD Cc1nnsc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085824 DEEBPDILEMUMDK-JTQLQIEISA-N 437.551 0.902 50 20 ICGD O=C(CC1(O)CCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055460 XQEBWNVTFBMZSM-FQEVSTJZSA-N 428.338 0.905 50 20 ICGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1829846570 XFZUNYICSWFYIQ-QIIPPGSGSA-N 448.358 0.389 50 20 ICGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831429707 PFKRSMSWEDTUPP-MGPUTAFESA-N 429.326 0.124 50 20 ICGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831877368 PVBATQGWNNQIAP-PXAZEXFGSA-N 429.315 0.582 50 20 ICGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1832729518 GZSGJJRUTHZPOA-OXJNMPFZSA-N 438.912 0.285 50 20 ICGD O=C(NC1CCN(C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1)[C@@H](O)CCl 1833309861 BXZAAXONOQWQTB-KRWDZBQOSA-N 439.944 0.451 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835823557 ULOZPNVVJICZCD-BBTUJRGHSA-N 439.940 0.439 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCCCC3)C2)C1 1835936856 GYIXIMBMSGEUPA-NRFANRHFSA-N 448.300 0.109 50 20 ICGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](Cl)CC)CC2)CC1 1836396656 FWUGSXICMFXWRI-RDJZCZTQSA-N 432.949 0.640 50 20 ICGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836413652 JRDVOQFGKFFNPG-GOEBONIOSA-N 447.349 0.869 50 20 ICGD CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837460954 LZOAUJUKISVAPR-QFIPXVFZSA-N 445.520 0.191 50 20 ICGD CC(=O)C[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838783994 LCHOAVHHZFOPQP-INIZCTEOSA-N 438.569 0.973 50 20 ICGD C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153426 HTTLWLMNWDLKNN-ZTFGCOKTSA-N 448.351 0.607 50 20 ICGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839198266 AWLCYGAMAMCRFJ-WWGRRREGSA-N 438.294 0.048 50 20 ICGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1839967059 YZTKYFRCNVHCQT-GUYCJALGSA-N 447.326 0.570 50 20 ICGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)n1 1840031563 UMLCBOCNTQINOE-GUYCJALGSA-N 429.315 0.756 50 20 ICGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840034078 ZUKIWZVVELQGAD-VAZLSXMYSA-N 439.372 0.385 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840153117 DZRCDTCJLVIDAD-CDXJDZJCSA-N 438.908 0.700 50 20 ICGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840153222 HWLYHUNNWHDSMX-OYPNYCBZSA-N 430.933 0.168 50 20 ICGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153652 WUIXADOMYRZGIG-ZRGWGRIASA-N 433.933 0.001 50 20 ICGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408177 LLOROBJOUJLHOD-LJQANCHMSA-N 426.901 0.577 50 20 ICGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccc(F)c1F 1840702950 BIJHQXFRPCTTIV-HNAYVOBHSA-N 432.851 0.943 50 20 ICGD O=C(Cc1cccc(C(F)(F)F)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010679 RATFDUKDLKIDLN-UHFFFAOYSA-N 447.222 0.840 50 20 ICGD Cc1cccn2ncc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c12 1844264951 CAYHDIXQLUKPNZ-UHFFFAOYSA-N 433.472 0.772 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1846384402 OKXXLZODUGNUFT-UHFFFAOYSA-N 425.493 0.457 50 20 ICGD Cc1ccc(-n2ccnn2)c(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c1 1846385678 IOAJBPPUCGTMBA-UHFFFAOYSA-N 439.520 0.766 50 20 ICGD CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847555869 AHLABMRLGJYFBE-FQKPHLNHSA-N 433.933 0.716 50 20 ICGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072064 YKELGFMGWJAMAN-HEHGZKQESA-N 426.366 0.155 50 20 ICGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 28196303 NUJQUFFHZUESRC-ZDUSSCGKSA-N 434.474 0.644 50 20 ICGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nc(-c4cccnc4)no3)c2)CCN1 728076625 KVMVHKOATFOXJG-UHFFFAOYSA-N 443.445 0.009 50 20 ICGD Cc1ccc(C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 728150784 HVCVZRDGAGRGNZ-UHFFFAOYSA-N 433.486 0.838 50 20 ICGD O=C(NNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1CCS(=O)(=O)C1 728380723 RCKFOTFBLISTOZ-VZSAFFHGSA-N 441.506 0.298 50 20 ICGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116787 FTLKBLOAJMQTJD-CYBMUJFWSA-N 442.542 0.374 50 20 ICGD O=C(COC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 735269028 CWFIBBAKGVBHCS-UHFFFAOYSA-N 425.507 0.818 50 20 ICGD O=C(Cc1cc(F)ccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 742465379 LJYXGGFIANRBRF-UHFFFAOYSA-N 439.440 0.989 50 20 ICGD O=C(NNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)N[C@H]1CCS(=O)(=O)C1 742576956 JIRCEUMYLKZUGO-JTQLQIEISA-N 429.405 0.809 50 20 ICGD CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cc1 744560730 GAUOJEQWLRNDOO-UHFFFAOYSA-N 430.442 0.474 50 20 ICGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)cc1Cl 747613498 MITNGPAAGFOXCP-ZCFIWIBFSA-N 448.306 0.027 50 20 ICGD Cc1ccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 747696295 SAVJQNDSVULOCA-UHFFFAOYSA-N 449.533 0.664 50 20 ICGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNc1nccn(C)c1=O 747941560 HMDIFJQSJDKNGH-AWEZNQCLSA-N 425.536 0.632 50 20 ICGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccc(Br)cc2F)c[nH]1 748202404 XFIHWYGALYTRQU-UHFFFAOYSA-N 434.247 0.437 50 20 ICGD Cc1ccc(S(=O)(=O)C2(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CCCC2)cc1 750993991 MILOOTBHMAWZPG-AWEZNQCLSA-N 443.547 0.599 50 20 ICGD O=C(NNC(=O)c1cc(F)ccc1I)N[C@@H]1CCS(=O)(=O)C1 751363893 YCTUEYKMJZVIOE-MRVPVSSYSA-N 441.222 0.561 50 20 ICGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(I)cc1 755362044 MFRMUXBXLNUVJK-ZETCQYMHSA-N 426.236 0.382 50 20 ICGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(-c3ccccc3)n2)c1 757836222 HZTQNHYAFOIWPE-UHFFFAOYSA-N 429.462 0.984 50 20 ICGD COCc1nc(C)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 758066548 CCDFFKMUHULVEG-UHFFFAOYSA-N 426.520 0.988 50 20 ICGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763675392 VNCIRPCSKNCHBT-UHFFFAOYSA-N 432.339 0.788 50 20 ICGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763682316 QSWSOCNOKBZSRB-UHFFFAOYSA-N 449.427 0.703 50 20 ICGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 763716185 BVTFATGBOOIABC-UHFFFAOYSA-N 425.445 0.604 50 20 ICGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1=O 763823180 BAZSPEHWKJTSSX-CYBMUJFWSA-N 445.863 0.674 50 20 ICGD NC(=O)CCSc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763838338 SVAHJMCEKMEJRT-UHFFFAOYSA-N 434.449 0.958 50 20 ICGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cc1ccccc1 763995943 AYLFCIODZHDPOQ-HNNXBMFYSA-N 445.497 0.807 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 763999322 VLZKIEJYCSXDIQ-ZETCQYMHSA-N 425.797 0.462 50 20 ICGD COc1cc(Cl)ccc1C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 764012577 SVGHKKSCJSHAHI-UHFFFAOYSA-N 446.851 0.080 50 20 ICGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cn1 764036959 FOGXHDKKLUYBKE-UHFFFAOYSA-N 430.364 0.904 50 20 ICGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2ccncc2)c1 764354052 LEUYAXJPJKNTLV-CYBMUJFWSA-N 433.490 0.487 50 20 ICGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)CSc3ccccc3O)cc2C1=O 764399998 CXRGQOGCJYJKDE-UHFFFAOYSA-N 428.470 0.899 50 20 ICGD Cc1csc(CC(=O)NNC(=O)CN2CCN(S(C)(=O)=O)c3ccccc3C2)n1 764459045 KKXZFPMKYLZFAS-UHFFFAOYSA-N 437.547 0.423 50 20 ICGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 764606861 IHJBHPZCUWRZMB-UHFFFAOYSA-N 435.488 0.928 50 20 ICGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 765249246 MJTLSPKBHBHULZ-CYBMUJFWSA-N 431.474 0.822 50 20 ICGD Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1-n1cncn1 766641664 IPKMNCKNYRWKQD-UHFFFAOYSA-N 447.499 0.795 50 20 ICGD CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767269588 XYIMZJPVDUVXMC-UHFFFAOYSA-N 433.486 0.840 50 20 ICGD CCOc1cc(NC2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)ncn1 767320036 NFBDFFWFGUPTCE-UHFFFAOYSA-N 447.521 0.984 50 20 ICGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cc1c(C)nc2cc(O)nn2c1C 767331255 HWXZNAPGHSZZTJ-UHFFFAOYSA-N 425.445 0.836 50 20 ICGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)C(N)=O)c1 767403184 IFBOZDOYBKPJME-UHFFFAOYSA-N 434.474 0.769 50 20 ICGD COc1cc(N2C[C@@H](C(=O)NNC(=S)NCCSC)CC2=O)cc(OC)c1OC 769768861 GVYASEGANIJZOO-NSHDSACASA-N 442.563 0.924 50 20 ICGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(OC)c2O)C1=O 771251329 MMUZIBBYNXCUAA-OAQYLSRUSA-N 442.428 0.638 50 20 ICGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1I 771845734 HICOFSHBPWOYQA-SECBINFHSA-N 447.229 0.510 50 20 ICGD COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 772948540 UAYYGYUAGJCANR-NWDGAFQWSA-N 447.373 0.348 50 20 ICGD Cc1cc(C)nc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 773481606 IHPFUBUXVGXRQJ-QGZVFWFLSA-N 440.460 0.190 50 20 ICGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 782898007 VWCDOANLUIURLJ-UHFFFAOYSA-N 447.473 0.556 50 20 ICGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNc1ncc(F)cn1 784949308 KORKTQKUKIULGF-UHFFFAOYSA-N 440.457 0.783 50 20 ICGD CCc1cc(Br)ccc1NNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 785103320 FYGQRRUZEWYZAS-UHFFFAOYSA-N 438.286 0.773 50 20 ICGD Cc1ccc(-n2cc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cn2)c(C)c1 786414403 NZHGJRGKKNSKKZ-UHFFFAOYSA-N 445.443 0.865 50 20 ICGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)CNC(=O)OCc1ccccc1 794061833 NJQAYCXLEKBSRW-UHFFFAOYSA-N 438.444 0.757 50 20 ICGD Cc1cc(Cn2nnc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2C)on1 794462142 PMEWBGXHMLOVAO-UHFFFAOYSA-N 427.421 0.619 50 20 ICGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 798316337 GBPQKFDBGPUWAV-UHFFFAOYSA-N 433.446 0.601 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)n1 799259221 VRALCIFDNLHOGO-QGZVFWFLSA-N 442.476 0.204 50 20 ICGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 802720975 QEJIEPHCXYXXSZ-UHFFFAOYSA-N 442.471 0.493 50 20 ICGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 806978995 OWMYFIFBADMOJF-UHFFFAOYSA-N 444.444 0.480 50 20 ICGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 807457419 CTCMGHSCHGBNPO-CYBMUJFWSA-N 427.465 0.960 50 20 ICGD C[C@@]1(NNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCS(=O)(=O)C1 812561201 GTXPMPVKAKXEIQ-LJQANCHMSA-N 449.533 0.937 50 20 ICGD CCCc1nnc(SCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)n1N 813365152 GIZVBJSZVQQIRL-UHFFFAOYSA-N 444.521 0.789 50 20 ICGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691893 DTHQEMSMXSJMGY-SNVBAGLBSA-N 448.505 0.772 50 20 ICGD NC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 915880134 MEABTAWGOBSGLH-UHFFFAOYSA-N 447.473 0.273 50 20 ICGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc3ccccc3c2)c(=O)n(C)c1=O 915997984 UVYOUHJJFFGMMU-UHFFFAOYSA-N 430.515 0.742 50 20 ICGD COc1cc(OC)cc(C(=O)NNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1 916725679 SUAXPWUSEATZOH-UHFFFAOYSA-N 440.460 0.856 50 20 ICGD Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917925345 KCJORMUZBOXBBY-UHFFFAOYSA-N 431.416 0.120 50 20 ICGD COCCCNC(=O)NNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 920862493 LIZSAZCROHGXCV-AWEZNQCLSA-N 425.511 0.507 50 20 ICGD O=C(NCCC1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1318838642 IFORFTTXFQNHOJ-UHFFFAOYSA-N 440.522 0.468 50 20 ICGD CCO[C@@H](C)c1noc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1 1322145084 QUSXWRKBHKLWLB-NSHDSACASA-N 439.498 0.947 50 20 ICGD O=C(NNC(=O)c1ccccc1SCC(=O)N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 1324094657 FWEPYQUQKHBTSE-CYBMUJFWSA-N 440.547 0.532 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cccnc2)C1 1778055615 CMEHBVGJVGPTOI-LXGFNABISA-N 438.956 0.719 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1779028814 AVZHEDTUVOPXTD-FQEVSTJZSA-N 435.481 0.055 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)c1 1780352534 MPJJIQFAMMUCEG-NFBKMPQASA-N 440.280 0.947 50 20 ICGD Cc1ccn(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780409369 AEKFUEPHAOISJA-NRFANRHFSA-N 426.477 0.089 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1780699449 FRCRPLWCYSRTDJ-ATNYBXOESA-N 437.990 0.846 50 20 ICGD N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1781961877 SPRFQWNTPDZDGJ-QFIPXVFZSA-N 437.236 0.134 50 20 ICGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)Nc1cccnc1)C2 1782175752 QTANNMCCUMBLNP-RZQQEMMASA-N 438.912 0.788 50 20 ICGD Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)no1 1782214485 RWXGKDVZFYCHJC-DYESRHJHSA-N 435.525 0.412 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782362722 HMQHBKKYSKMPDX-QFIPXVFZSA-N 449.471 0.090 50 20 ICGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783355546 VAMUAPJTGDJIJH-ZENOOKHLSA-N 437.356 0.567 50 20 ICGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3-c3cccnc3)C[C@@H]21)[C@H](O)CCl 1784091283 MWMPOBHMCPQOHI-JONQDZQNSA-N 433.896 0.665 50 20 ICGD CC(C)c1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)co1 1785538763 ZKGLCFBAIUCFJD-IEZWGBDMSA-N 441.293 0.385 50 20 ICGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984872 SQOCUBVGKNDGGT-YYWHXJBOSA-N 438.289 0.282 50 20 ICGD O=C(Nc1ccc(C2(NC(=O)c3cccc(=O)n3O)CCC2)cc1)c1ccc(B(O)O)cc1 1788140003 BDUWREFTXZEWOP-UHFFFAOYSA-N 447.256 0.827 50 20 ICGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1789867641 BKHPIJNCNMUHEB-GUUCOKDPSA-N 433.340 0.536 50 20 ICGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922221 ATDFZCXFYQALPH-UVPYHEFZSA-N 443.317 0.622 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791290661 IDXDWGGYDHTWFY-JUFZMCDQSA-N 437.310 0.030 50 20 ICGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CC1 1792849407 RHBYTSZRJKGKJH-AAXRCIQFSA-N 427.505 0.756 50 20 ICGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2ccccc2[C@H]1O)c1cccc(B(O)O)c1 1793181548 WYVISKGASVEGHB-XLGPZGCCSA-N 448.328 0.914 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COc2ccccc2O1 1794099123 JQHZURZABIUKBA-YYAJDYIMSA-N 430.505 0.838 50 20 ICGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 1796597029 NATRLSIJUGQABS-HLPPOEQASA-N 443.342 0.906 50 20 ICGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccoc13)C2 1797753836 HTDLWVCMQPJCII-CCWDJLKJSA-N 449.467 0.948 50 20 ICGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797885537 VSHWFLZJIWBHQR-GUIRCDHDSA-N 439.310 0.641 50 20 ICGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCBr)C3)CC1 1797930735 WCCAKKGDVYELSL-MUJYYYPQSA-N 429.359 0.574 50 20 ICGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798371551 PJHBOPQYKJIFPV-OPDFLTKYSA-N 441.916 0.633 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)[C@@H](F)Br 1799346460 RETHLWMTHFOJDW-LYIQGSDWSA-N 433.303 0.849 50 20 ICGD COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)c1OC 1799503455 KDLFVWFXUGQZKB-QDMKHBRRSA-N 433.509 0.724 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1c(O)cc(O)cc1O 1799659490 KEIUTKQQDQDRJL-QYOFDKIESA-N 433.230 0.697 50 20 ICGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799875415 REYOYVPTSPHADS-OWLDWWDNSA-N 437.840 0.274 50 20 ICGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2 1801011165 KHVPVTWFLCFTSJ-HBCWATKFSA-N 428.493 0.139 50 20 ICGD O=C(NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1ccc[nH]1 1803142445 WTTXOEWGZKVKHB-HHXXYDBFSA-N 447.923 0.835 50 20 ICGD C[C@H](CBr)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806840596 DVFKUMBEQJVICE-OLZOCXBDSA-N 443.342 0.847 50 20 ICGD O=C(NC[C@@H]1CCN(C(=O)Cc2cncnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807364128 RZKIYLJOMXGTIG-UGKGYDQZSA-N 445.288 0.114 50 20 ICGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371212 RDTALNSCMZMCSZ-DYESRHJHSA-N 446.272 0.495 50 20 ICGD Cc1[nH]nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)c1F 1807771240 WMCBKXIKIKODDW-UHFFFAOYSA-N 428.273 0.696 50 20 ICGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2ccncn2)[C@@H]1c1cccnc1 1808513470 XFVAFUMQJMHJAT-KXBFYZLASA-N 446.471 0.504 50 20 ICGD O=C(Cc1cncnc1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350204 KEGDZCSBUDTMOC-OAHLLOKOSA-N 437.290 0.081 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)[nH]n1)c1cccc(B(O)O)c1 1817475686 YKGDIIBMQTZQDQ-KRWDZBQOSA-N 439.281 0.018 50 20 ICGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)[nH]n1 1819404314 GRGAKHORPZYEDE-MLGOLLRUSA-N 427.465 0.751 50 20 ICGD CC(C)(C)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826856937 VVMMKCFSPYTLEO-FQEVSTJZSA-N 429.370 0.988 50 20 ICGD C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CCCN1 1827052484 KMVCABQPCUFBTR-NFBKMPQASA-N 427.354 0.742 50 20 ICGD COC[C@H](Cl)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828974144 QNDKRWYHYMJVDS-YQVWRLOYSA-N 431.961 0.511 50 20 ICGD O=C(c1ccn(-c2ccccc2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731114 HFYSMQYYDMSHIO-NQIIRXRSSA-N 448.907 0.542 50 20 ICGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCCCC3(F)F)C2)C1 1830732485 ZCBGFGCECHWPKE-KBRIMQKVSA-N 442.862 0.960 50 20 ICGD C/C(=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1832818509 VKQJNIRWTDCYOA-RXHHAWBHSA-N 428.294 0.631 50 20 ICGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833264629 LVFGNWWFOXAZOG-CQSZACIVSA-N 434.375 0.598 50 20 ICGD Cc1cc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833986144 RXCUUVFQCDJDGQ-UHFFFAOYSA-N 432.569 0.881 50 20 ICGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CBr)C3)C2)cn1 1834079960 KTRRUUYWZASMHB-ACJLOTCBSA-N 441.326 0.886 50 20 ICGD O=C(CCN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834821416 ITDYVSIUGHENDS-KRWDZBQOSA-N 448.314 0.070 50 20 ICGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826295 KBLUYXUGFGIYLE-CRAIPNDOSA-N 443.342 0.761 50 20 ICGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1836395207 XZIZEMAMXXRDEQ-HUUCEWRRSA-N 427.933 0.174 50 20 ICGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839153137 BUNSQRXZTZGFCA-FSPWUOQZSA-N 436.336 0.370 50 20 ICGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3OC)CCO2)C1 1839955929 ZJQPXNFMFQAWFK-UWJYYQICSA-N 440.924 0.948 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839963801 WSAHWGSMFCPBEU-PBHICJAKSA-N 427.299 0.720 50 20 ICGD CC[C@@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1841634783 BWRWSCLBNXXCRI-YLJYHZDGSA-N 445.564 0.943 50 20 ICGD COc1cc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)ccn1 1844263581 SJBFJDXSJQKXQB-UHFFFAOYSA-N 438.488 0.539 50 20 ICGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 22411776 BQKDEDZHNGZKRZ-CYBMUJFWSA-N 431.474 0.023 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(=O)n(C)c3ccccc23)cc1 107924078 PPTAUZLYBHBYKS-UHFFFAOYSA-N 442.497 0.929 50 20 ICGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@@H]1Oc2ccccc2NC1=O 726088449 HBJQYURNXXQYTE-AWEZNQCLSA-N 431.474 0.839 50 20 ICGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)c1csc(N2CCOCC2)n1 726884070 VBLCKVZJARARKQ-UHFFFAOYSA-N 443.489 0.437 50 20 ICGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728377175 DTWZOQCOFAKNQI-TZMCWYRMSA-N 443.547 0.129 50 20 ICGD CCNC(=O)COc1ccc(C=NNC(=O)CSc2nnc(O)nc2O)cc1OC 730558939 XNPXZMBMGDOQHF-UHFFFAOYSA-N 436.450 0.049 50 20 ICGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc(OC(F)F)cc1 731163498 IITZMQJMUBPMKS-SNVBAGLBSA-N 429.405 0.373 50 20 ICGD COc1ccccc1C(=O)NNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 731493974 KKPLBJCMNKMEHM-UHFFFAOYSA-N 439.515 0.916 50 20 ICGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474473 OMPSENZWOLKJPP-KBPBESRZSA-N 446.501 0.412 50 20 ICGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 735116617 AFKQJVMCDWJUGY-UHFFFAOYSA-N 438.441 0.822 50 20 ICGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 742081570 FRCABDJCBRVKFT-UHFFFAOYSA-N 437.522 0.300 50 20 ICGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 746228188 MLIHYGNNBXYDDH-UHFFFAOYSA-N 426.451 0.031 50 20 ICGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)s1 746386420 RWUZCHHGGJIAIF-NSHDSACASA-N 445.339 0.452 50 20 ICGD Cn1ncc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cnc21 747293135 BLXQXTFZSNQROH-UHFFFAOYSA-N 428.474 0.828 50 20 ICGD Cc1ccc(SCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 747728094 SRVQCYSYECXOIA-UHFFFAOYSA-N 427.486 0.802 50 20 ICGD C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2C1 748095240 OXPMDNUDVACHSF-GFCCVEGCSA-N 430.552 0.479 50 20 ICGD CC(C)(C)OC(=O)N1CC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 751804206 NDWXMOUSAJTGPK-UHFFFAOYSA-N 426.499 0.543 50 20 ICGD O=C(CNC(=O)c1ccccc1C(F)(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 755056356 NDPGFKGZVJHGDY-UHFFFAOYSA-N 433.350 0.872 50 20 ICGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3cccnc3)c2)CC1 756358567 JWWPWSDXAIXFGT-UHFFFAOYSA-N 446.533 0.803 50 20 ICGD Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)n[nH]2)cc1 762954363 USLJVSVUSULSBW-QGZVFWFLSA-N 426.458 0.876 50 20 ICGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cc1 763562059 SQRCKAXNCCEGOW-UHFFFAOYSA-N 430.392 0.057 50 20 ICGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c(C)o1 763587542 YQWJGQANSCTTQO-UHFFFAOYSA-N 438.437 0.975 50 20 ICGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 763630084 WGOWUVCMAYBNPJ-UHFFFAOYSA-N 444.473 0.259 50 20 ICGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)n1 763881781 PVSMNDKRBTWZHZ-IYBDPMFKSA-N 428.493 0.900 50 20 ICGD COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)cc2O)cc1 764105201 MFJCODNJHKALII-UHFFFAOYSA-N 442.428 0.393 50 20 ICGD CCN(CC)Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)o1 764138322 BTHKHPMAQHCPPY-UHFFFAOYSA-N 443.460 0.876 50 20 ICGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2ccccn2)cccc1S(=O)(=O)NC1CC1 764267284 QZPJUSSWLUFQFY-UHFFFAOYSA-N 431.474 0.159 50 20 ICGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764423605 CIXFZHNJXVZZCP-CQSZACIVSA-N 426.857 0.227 50 20 ICGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 764425038 NCBSMDJHYSEHLH-ZDUSSCGKSA-N 442.259 0.740 50 20 ICGD COc1ccc(-c2ncc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc1OC 767683723 KWORYTJJZKIINF-NSHDSACASA-N 440.503 0.958 50 20 ICGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc21 770968988 QNHHMWHXYWGSJO-RFHZTLPTSA-N 443.464 0.283 50 20 ICGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)COc4cc(Br)ccc43)nc21 770971593 LKTQZBGCUKMXPZ-UHFFFAOYSA-N 448.237 0.700 50 20 ICGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc2c(cc1Br)CCC2 773530999 WEGGHOXIGKASSK-NSHDSACASA-N 444.307 0.458 50 20 ICGD Nc1nc(Cl)cc(NNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)n1 773860963 KRRRYUIBZQMMIG-UHFFFAOYSA-N 432.915 0.615 50 20 ICGD COCCOc1ccc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 784214803 FGAAHKNWAQSEDG-UHFFFAOYSA-N 449.489 0.629 50 20 ICGD CN1CCN(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 788168872 GSSPVAYONHZUDT-UHFFFAOYSA-N 437.547 0.828 50 20 ICGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789809975 JNGXAGFCFMKCSD-ZFWWWQNUSA-N 429.433 0.255 50 20 ICGD CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 789857067 PDBFBEVWLLJMRP-UHFFFAOYSA-N 430.486 0.895 50 20 ICGD CN(C)N(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792853878 HHGUAXZDWKYLBL-CABCVRRESA-N 446.570 0.385 50 20 ICGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CC2)cc1 800334657 OOZXWULEDOFWMN-TXPKVOOTSA-N 438.550 0.262 50 20 ICGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)Nc1ccc2c(c1)OCO2 802095628 LULLVBBJQUJCFD-UHFFFAOYSA-N 438.418 0.496 50 20 ICGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1 810915295 OAGVTAVQVUPZDV-UHFFFAOYSA-N 440.503 0.470 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 815751396 YRGFXMXJXBAZCV-UHFFFAOYSA-N 445.501 0.911 50 20 ICGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C 816828315 AVVFGDVKNGNHMJ-JTQLQIEISA-N 437.316 0.102 50 20 ICGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 817054067 RJSZQULIXNUUGN-UHFFFAOYSA-N 447.477 0.776 50 20 ICGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCC(=O)NC2CC2)cc1 916577628 SHZCMVGOYNCYEH-UHFFFAOYSA-N 425.511 0.005 50 20 ICGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 919805205 FGHLTPRTQDISSK-CYBMUJFWSA-N 433.446 0.852 50 20 ICGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc([N+](=O)[O-])cc1 921020081 RBYWBOGPYIEHHK-UHFFFAOYSA-N 439.475 0.735 50 20 ICGD Cn1nc(C(=O)NNC(=O)NCc2ccnc(N3CCOCC3)c2)c2ccccc2c1=O 1248699851 VUAJWXWQOIJUBV-UHFFFAOYSA-N 437.460 0.309 50 20 ICGD O=C(c1cc(Cl)c2nncn2c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778945937 RCVCUDAHCAGHJL-GUYCJALGSA-N 428.276 0.426 50 20 ICGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2 1779371016 GRVBRYLTEZIHJH-XMSQKQJNSA-N 445.520 0.239 50 20 ICGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1780603413 DVIPSNBCLWPSDA-WUKWMOGPSA-N 441.956 0.501 50 20 ICGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1780700127 MJDXCFNRMVVWAB-STXHMFSFSA-N 425.913 0.833 50 20 ICGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C(F)F)CCO2)NC(=O)NCc1ccccc1 1780969469 HGDIZYHPXPZZIL-FQEVSTJZSA-N 439.463 0.428 50 20 ICGD Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782210677 BRGDPEDJZPYROT-XMSQKQJNSA-N 431.537 0.891 50 20 ICGD CO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1782241613 OHQMXTVZVQTMHE-UBOQJIBCSA-N 433.509 0.669 50 20 ICGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(-c4ccccc4)n3)CCO2)C1 1783875522 NLAODHJMCBLFHR-OXQOHEQNSA-N 433.896 0.965 50 20 ICGD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934019 SGTQFSPKMOVQQB-JOCHJYFZSA-N 432.521 0.441 50 20 ICGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1783974650 ULLUVUZXSPOLLW-PLGIXQIDSA-N 449.342 0.613 50 20 ICGD Cc1cccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784935675 QQZYXVAGAPBBAS-JOCHJYFZSA-N 426.253 0.571 50 20 ICGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1785001447 HYBJYQVICUHVLX-QAETUUGQSA-N 429.945 0.623 50 20 ICGD Cc1cc(F)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786981679 FRVAXSRJJJZQLE-NDXORKPFSA-N 440.280 0.721 50 20 ICGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295266 ZXZGBXXTQGLHMP-URBCHYCLSA-N 428.283 0.870 50 20 ICGD CCCc1onc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291010 IGGWSOJNFSQLME-BQFCYCMXSA-N 449.552 0.902 50 20 ICGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792869923 DHYRWOCQDAWORS-NRWUCQMLSA-N 429.315 0.663 50 20 ICGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1792872108 MFCLIOJWYUZCSQ-HNCHTBHHSA-N 432.344 0.517 50 20 ICGD CCOc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735254 SKRDFJXOFYPVGU-RMFSNUHRSA-N 438.289 0.282 50 20 ICGD CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796367389 HMHDSEZNPOIWKU-AYRXBEOTSA-N 437.896 0.652 50 20 ICGD CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)o1 1798434386 PUVPHPDYIGZIBK-BJWYYQGGSA-N 425.250 0.483 50 20 ICGD CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](Cl)COC)C3)ccn1 1798688310 BSLMEDZCZRYUHJ-JYYAWHABSA-N 439.896 0.715 50 20 ICGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1800973931 JCIFDOQZMAVCRK-KPEUIFRASA-N 433.896 0.724 50 20 ICGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)CC1 1806485656 SXKDUPFNICZOMM-QGZVFWFLSA-N 436.475 0.904 50 20 ICGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(Cl)ncn3)CC2)C1 1809977600 IWUUEDSCHOJQAR-UHFFFAOYSA-N 442.712 0.968 50 20 ICGD Cc1n[nH]cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1811486353 NDNBUDLIUBJIMC-FXAWDEMLSA-N 433.277 0.426 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2ncccn2)[C@@H]1c1cccnc1 1813069807 CCMZAJOVXUPUMO-HTAPYJJXSA-N 439.520 0.493 50 20 ICGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1 1813074468 SDWQPTZVCFZYKW-QVWMHLQHSA-N 429.521 0.353 50 20 ICGD Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)no1 1813330603 PIHOOYDQPGYCNW-GCJKJVERSA-N 448.288 0.620 50 20 ICGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)c1ccco1 1814458196 PGXNGNORNSSTCS-APWZRJJASA-N 438.249 0.722 50 20 ICGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)c2ccco2)[nH]n1)c1cccc(B(O)O)c1 1817475868 XGTJOTJLXONUFU-QFBILLFUSA-N 438.249 0.722 50 20 ICGD CCOCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819802211 ZZPVBPITFWSPRW-LLVKDONJSA-N 432.506 0.794 50 20 ICGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181847 OSTUOHSANPCPJM-LSDHHAIUSA-N 436.900 0.251 50 20 ICGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)Br)CC1 1826821229 VMQDNXIVGVBEFH-GUTXKFCHSA-N 435.338 0.889 50 20 ICGD CC(C)[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828923732 WBECXHQUXIHSAU-MOPGFXCFSA-N 431.537 0.935 50 20 ICGD CCOc1ccsc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829545956 JDZJJHZZMADFDM-ACJLOTCBSA-N 432.926 0.817 50 20 ICGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831892755 BUPIFVIOMMHNAS-FZKQIMNGSA-N 442.310 0.239 50 20 ICGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Br)C3)C2)n(C)n1 1833446021 ARGNQEYQISIURG-PXAZEXFGSA-N 445.314 0.282 50 20 ICGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833919326 JZJPOEXXMIHDAU-MRXNPFEDSA-N 425.892 0.900 50 20 ICGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167042 JUXGJTXBVYKZCR-GUYCJALGSA-N 429.315 0.521 50 20 ICGD Cc1nocc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797406 IQRHHQAPBRBCMJ-UHFFFAOYSA-N 440.309 0.162 50 20 ICGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)nn1C 1834819553 QYAVITTXMGMYRW-GOSISDBHSA-N 443.342 0.512 50 20 ICGD O=C(c1nccc2nc[nH]c12)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1836457099 DWQDSJKKUVILOJ-QGZVFWFLSA-N 428.276 0.832 50 20 ICGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714413 UREYSSJTOKIGJQ-BBRMVZONSA-N 438.974 0.265 50 20 ICGD O=C(c1ccc2nncn2c1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717477 WOARYMJBDWLTQS-QGZVFWFLSA-N 435.912 0.941 50 20 ICGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CBr)C3)C2)n[nH]1 1837583303 LUILQGLFRSVHKZ-UGSOOPFHSA-N 443.342 0.748 50 20 ICGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838456077 GNBKPVXWWXTBBS-UZLBHIALSA-N 425.913 0.827 50 20 ICGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839241093 BBDOGBPNLKDIPC-WBVHZDCISA-N 447.305 0.716 50 20 ICGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1839966584 JYLYASSBELQSGP-OTMSEOJESA-N 446.342 0.656 50 20 ICGD O=C(c1cnccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010853 LVVNQUIGPNNFEG-UHFFFAOYSA-N 433.195 0.911 50 20 ICGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844263624 YWLLQOFRKJXXHT-SHTZXODSSA-N 443.504 0.482 50 20 ICGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H](O)C(C)(C)C)C2)NC(=O)NCc1ccccc1 1845038375 VYDOQKYMLWLNRP-LJQANCHMSA-N 445.564 0.943 50 20 ICGD